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Isoform 2 of RAF proto-oncogene serine/threonine-protein kinase AlphaSync

Canonical isoform description: Serine/threonine-protein kinase that acts as a regulatory link between the membrane-associated Ras GTPases and the MAPK/ERK cascade, and this critical regulatory link functions as a switch determining cell fate decisions including proliferation, differentiation, apoptosis, survival and oncogenic transformation. RAF1 activation initiates a mitogen-activated protein kinase (MAPK) cascade that comprises a sequential phosphorylation of the dual-specific MAPK kinases (MAP2K1/MEK1 and MAP2K2/MEK2) and the extracellular signal-regulated kinases (MAPK3/ERK1 and MAPK1/ERK2). The phosphorylated form of RAF1 (on residues Ser-338 and Ser-339, by PAK1) phosphorylates BAD/Bcl2-antagonist of cell death at 'Ser-75'. Phosphorylates adenylyl cyclases: ADCY2, ADCY5 and ADCY6, resulting in their activation. Phosphorylates PPP1R12A resulting in inhibition of the phosphatase activity. Phosphorylates TNNT2/cardiac muscle troponin T. Can promote NF-kB activation and inhibit signal transducers involved in motility (ROCK2), apoptosis (MAP3K5/ASK1 and STK3/MST2), proliferation and angiogenesis (RB1). Can protect cells from apoptosis also by translocating to the mitochondria where it binds BCL2 and displaces BAD/Bcl2-antagonist of cell death. Plays a role in the oncogenic transformation of epithelial cells via repression of the TJ protein, occludin (OCLN) by inducing the up-regulation of a transcriptional repressor SNAI2/SLUG, which induces down-regulation of OCLN. Restricts caspase activation in response to selected stimuli, notably Fas stimulation, pathogen-mediated macrophage apoptosis, and erythroid differentiation (By similarity). Regulates Rho signaling and migration, and is required for normal wound healing.

AlphaFold DB , UniProt , Accession Q99N57-2 (canonical: Q99N57), Species MOUSE (Mus musculus, Mouse), Gene Raf1, Length 668 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	29.7	Very low	31.7	Very low	243 Å²	243	167.7 Å²	167.7	100%	1.197	86%	0.858	S	S	*	*				0	125.4	0	-64.6	-142.4	-72.7	0	0	106.5
2	E	28.2	Very low	31.6	Very low	177 Å²	177	161.3 Å²	161.3	83%	0.827	84%	0.84	S	S	*	*			trans	-90.9	-168.1	-167.7	-64.8	162.4	118.3	0	0	111.6
3	H	34.2	Very low	31.4	Very low	174 Å²	174	161.8 Å²	161.8	81%	0.806	84%	0.844	S	S	*	*			trans	74	116.5	176.7	-67.3	-88.1	0	0	0	114.6
4	I	40.9	Very low	31.6	Very low	161 Å²	161	154.6 Å²	154.6	83%	0.826	83%	0.828	S	S	*	*			cis	-154.1	144.8	49.9	-94.2	123.4	0	0	0	111.8
5	Q	30.8	Very low	31.8	Very low	196 Å²	196	159.3 Å²	159.3	92%	0.916	84%	0.839	S	S	*	*			trans	-86.4	147.9	165.5	-71.1	173.3	-31.1	0	0	110.9
6	G	37.5	Very low	31.9	Very low	78 Å²	78	153.7 Å²	153.7	80%	0.804	83%	0.831	S	S	*	*			trans	-159.7	90.9	171.2	0	0	0	0	0	111.4
7	A	27.6	Very low	31.9	Very low	86 Å²	86	153.9 Å²	153.9	71%	0.711	83%	0.831	S	S	*	*			trans	-72.3	170.6	167.5	0	0	0	0	0	110.5
8	W	31.3	Very low	32.1	Very low	263 Å²	263	156.6 Å²	156.6	100%	0.996	83%	0.834	S	S	*	*				-163.2	149	120.5	-92	13.4	0	0	0	108.8
9	K	27.9	Very low	31.9	Very low	195 Å²	195	156 Å²	156	85%	0.848	83%	0.83	S	S	*	*			trans	-115.1	167	-177.9	-71.5	179.6	174	178.6	0	110.3
10	T	29.7	Very low	32	Very low	117 Å²	117	152.9 Å²	152.9	72%	0.718	83%	0.827	S	S	*	*			trans	104.1	144.5	133.8	-16.5	0	0	0	0	119.2
11	I	31.2	Very low	31.8	Very low	155 Å²	155	151.8 Å²	151.8	80%	0.795	83%	0.826	S	S	*	*			trans	62.7	143.3	158.3	36.4	176.8	0	0	0	119.5
12	S	30.7	Very low	31.9	Very low	91 Å²	91	149.9 Å²	149.9	64%	0.636	81%	0.811	S	S	*	*			cis	-165.3	156.4	-8.4	26.6	0	0	0	0	112.7
13	N	28.9	Very low	31.8	Very low	168 Å²	168	148.7 Å²	148.7	90%	0.898	81%	0.811	S	S	*	*			trans	39.5	138.3	141.9	-55.9	-8.6	0	0	0	123.1
14	G	33.1	Very low	31.7	Very low	60 Å²	60	143.5 Å²	143.5	62%	0.619	80%	0.804	S	S	*	*			trans	156.2	100	138.7	0	0	0	0	0	118.4
15	F	34.8	Very low	31.3	Very low	226 Å²	226	141.2 Å²	141.2	99%	0.991	80%	0.802	S	S	*	*			trans	58	146.9	152.2	-56.4	-88.1	0	0	0	119.8
16	G	33.6	Very low	31.1	Very low	69 Å²	69	137 Å²	137	71%	0.711	80%	0.795	S	S	*	*			cis	-178.3	164.4	-4	0	0	0	0	0	112.9
17	L	31.8	Very low	30.8	Very low	157 Å²	157	139.2 Å²	139.2	82%	0.822	80%	0.796	S	S	*	*			trans	7.2	129.8	169.2	-88.4	67.8	0	0	0	121
18	K	35.6	Very low	31	Very low	203 Å²	203	142 Å²	142	88%	0.883	80%	0.798	S	S	*	*				-167.9	140.9	97.7	-109.5	-180	178.5	180	0	113.8
19	D	28.5	Very low	31	Very low	145 Å²	145	134.7 Å²	134.7	78%	0.775	79%	0.786	S	S	*	*			trans	-73.5	148.8	177.9	-52.3	-87.5	0	0	0	113.6
20	A	33.7	Very low	31.3	Very low	93 Å²	93	131 Å²	131	77%	0.769	78%	0.783	S	S	*	*			trans	-154.7	96	153.3	0	0	0	0	0	109.4
21	V	27.7	Very low	31.3	Very low	131 Å²	131	131.1 Å²	131.1	79%	0.794	78%	0.783	S	S	*	*			trans	-66.2	129.5	166.9	174.1	0	0	0	0	108.3
22	F	32.5	Very low	31.3	Very low	202 Å²	202	131 Å²	131	89%	0.886	78%	0.783	S	S	*	*			trans	-123.2	97.8	164.3	-117.5	-81.8	0	0	0	109.7
23	D	26.1	Very low	31.3	Very low	153 Å²	153	132 Å²	132	82%	0.818	79%	0.785	S	S	*	*			trans	-69.3	143	164.5	-156.6	-10.6	0	0	0	109
24	G	31.7	Very low	31.5	Very low	65 Å²	65	131.2 Å²	131.2	67%	0.67	78%	0.775	S	S	*	*			trans	-153.4	37.6	-143.1	0	0	0	0	0	117.8
25	S	32.4	Very low	31.3	Very low	112 Å²	112	137 Å²	137	78%	0.783	79%	0.786	S	S	*	*			trans	61.9	100.8	159.6	-63.2	0	0	0	0	118.5	C27	S25-C27 PolarHBondContact O-N 3.46Å
26	S	27.2	Very low	31.2	Very low	109 Å²	109	134.6 Å²	134.6	76%	0.762	78%	0.776	S	S	*	*			trans	-51.9	117.9	155.1	51	0	0	0	0	112.9	I28	S26-I28 PolarHBondContact O-N 2.73Å
27	C	30.8	Very low	31	Very low	123 Å²	123	134.8 Å²	134.8	83%	0.831	78%	0.778	S	S	*	*			trans	-92.5	84.7	170.2	50.1	0	0	0	0	111.5	S25 S29	S25-C27 PolarHBondContact O-N 3.46Å; C27-S29 PolarHBondContact O-N 3.41Å
28	I	30.7	Very low	31	Very low	146 Å²	146	138.1 Å²	138.1	75%	0.749	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-67	117.4	169.3	-61.4	171.1	0	0	0	108.5	S26	S26-I28 PolarHBondContact O-N 2.73Å
29	S	31.6	Very low	30.8	Very low	108 Å²	108	137.2 Å²	137.2	76%	0.755	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-84.8	134.7	164.3	-68.4	0	0	0	0	109.7	C27	C27-S29 PolarHBondContact O-N 3.41Å
30	P	34.4	Very low	30.9	Very low	119 Å²	119	142.1 Å²	142.1	77%	0.773	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-73.1	142.3	-169.7	28.3	-34.9	0	0	0	113.3	I32	P30-I32 PolarHBondContact O-N 3.45Å
31	T	29.6	Very low	31	Very low	119 Å²	119	149.3 Å²	149.3	73%	0.73	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-61.7	121.6	173.3	-55.1	0	0	0	0	112	V33	T31-V33 HydrophobicContact CG2-CB 4.14Å; T31-V33 HydrophobicContact CG2-CG2 3.5Å
32	I	32.3	Very low	31.2	Very low	152 Å²	152	147.4 Å²	147.4	78%	0.779	79%	0.793	S	S	*	*			trans	-110.2	97.2	150.1	-65.1	-179.1	0	0	0	107.2	P30 Q34	P30-I32 PolarHBondContact O-N 3.45Å; I32-Q34 HydrophobicContact CG2-CB 4.48Å
33	V	30.7	Very low	31.4	Very low	112 Å²	112	143.7 Å²	143.7	68%	0.679	79%	0.792	S	S	*	*			trans	-86.9	104.6	164.9	162.6	0	0	0	0	106.5	T31 Q35	T31-V33 HydrophobicContact CG2-CB 4.14Å; T31-V33 HydrophobicContact CG2-CG2 3.5Å; V33-Q35 HydrophobicContact CG1-CG 4.05Å
34	Q	32.9	Very low	32	Very low	151 Å²	151	144.5 Å²	144.5	71%	0.706	80%	0.796	S	S	*	*			trans	-105.5	101.1	167.1	-140.8	169	9.4	0	0	107.6	I32 F36	I32-Q34 HydrophobicContact CG2-CB 4.48Å; Q34-F36 PolarHBondContact O-N 3.34Å; Q34-F36 VanDerWaalsContact O-N 3.11Å
35	Q	29.6	Very low	32.4	Very low	181 Å²	181	149.1 Å²	149.1	85%	0.846	81%	0.806	S	S	*	*			trans	-68.6	104.1	176.9	-74	175.5	-45.6	0	0	109.7	V33	V33-Q35 HydrophobicContact CG1-CG 4.05Å
36	F	31.9	Very low	32.5	Very low	176 Å²	176	147 Å²	147	77%	0.772	80%	0.801	S	S	*	*			trans	-90.8	99.4	158.3	-88.9	-83.7	0	0	0	109	Q34 Y38	Q34-F36 PolarHBondContact O-N 3.34Å; Q34-F36 VanDerWaalsContact O-N 3.11Å; F36-Y38 PolarHBondContact O-N 3.24Å
37	G	29.1	Very low	32.9	Very low	73 Å²	73	152 Å²	152	75%	0.753	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-71.1	121.9	172.3	0	0	0	0	0	110.8
38	Y	31.4	Very low	33.2	Very low	227 Å²	227	153.4 Å²	153.4	89%	0.89	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-94.1	118.1	163.5	-96.9	-94.2	0	0	0	109.2	F36 R40	F36-Y38 PolarHBondContact O-N 3.24Å; Y38-R40 PolarHBondContact O-N 3.11Å
39	Q	32.4	Very low	33.2	Very low	184 Å²	184	152.8 Å²	152.8	86%	0.86	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-60.7	128.7	178.2	-71.4	165.4	-67.7	0	0	110.8	R41	Q39-R41 PolarHBondContact O-N 3.25Å
40	R	31.1	Very low	33.2	Very low	248 Å²	248	154.5 Å²	154.5	94%	0.936	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-68.1	125.8	155.1	-70	-171.6	-175	-166.9	3.6	107.8	Y38	Y38-R40 PolarHBondContact O-N 3.11Å
41	R	34.4	Very low	33.1	Very low	245 Å²	245	155 Å²	155	93%	0.925	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-90.3	123.3	152.6	-73.1	-171.1	176.3	-169.3	-1.1	107.7	Q39	Q39-R41 PolarHBondContact O-N 3.25Å
42	A	31.9	Very low	33.3	Very low	90 Å²	90	153.2 Å²	153.2	74%	0.744	81%	0.81	S	S	*	*			trans	-89	174	164.2	0	0	0	0	0	109.6
43	S	37.1	Very low	33.8	Very low	124 Å²	124	155.9 Å²	155.9	87%	0.867	82%	0.816	S	S	*	*			trans	90.8	93.2	-174.7	-37.4	0	0	0	0	113.9
44	D	38.7	Very low	34.8	Very low	171 Å²	171	156.7 Å²	156.7	91%	0.914	82%	0.821	S	S	*	*				-150.8	156.1	108.1	-140.5	-20.2	0	0	0	110.3
45	D	39.8	Very low	36.4	Very low	162 Å²	162	153.3 Å²	153.3	87%	0.866	81%	0.814	S	S	*	*			trans	-93.3	155	-160.2	-110	-48.1	0	0	0	116.3
46	G	35.4	Very low	39.1	Very low	66 Å²	66	148.3 Å²	148.3	68%	0.68	79%	0.793	S	S	*	*			trans	15.6	113.9	160.7	0	0	0	0	0	122.6
47	K	35.5	Very low	41.9	Very low	214 Å²	214	141.6 Å²	141.6	93%	0.93	77%	0.767	S	S	*	*				-157.4	153.9	119.1	-121.6	169.8	-178.2	173.1	0	113.9
48	L	36.8	Very low	44.8	Very low	154 Å²	154	138.1 Å²	138.1	81%	0.806	73%	0.731	S	S	*	*			trans	-74.4	160.1	-175.4	-73.9	135	0	0	0	113.6
49	T	30.7	Very low	47.7	Very low	133 Å²	133	134.3 Å²	134.3	82%	0.816	72%	0.715	S	S	*	*			trans	58.5	104	159.4	57.3	0	0	0	0	119.1
50	D	32.6	Very low	50.5	Low	143 Å²	143	125.7 Å²	125.7	77%	0.765	68%	0.675	S	S	*	*				-166.7	124.8	109.2	-152.9	-26.7	0	0	0	111.5	S52	D50-S52 VanDerWaalsContact CG-OG 3.29Å; D50-S52 PolarHBondContact OD1-OG 2.77Å
51	S	30.7	Very low	53.3	Low	131 Å²	131	117.5 Å²	117.5	92%	0.916	65%	0.646	S	S	*	*			trans	-108.9	68	-177.6	-73.8	0	0	0	0	111.3
52	S	34.5	Very low	55.5	Low	80 Å²	80	106.2 Å²	106.2	56%	0.559	60%	0.604	S	S	*	*			trans	-152.3	44.5	-169.3	60.5	0	0	0	0	117	D50	D50-S52 VanDerWaalsContact CG-OG 3.29Å; D50-S52 PolarHBondContact OD1-OG 2.77Å
53	K	42.2	Very low	57.3	Low	208 Å²	208	102.6 Å²	102.6	90%	0.904	57%	0.573	S	S	*	*			trans	-131.9	70.3	165.5	-75	-173.9	-179.6	169.4	0	113.5	S55	K53-S55 PolarHBondContact O-N 2.79Å
54	T	53	Low	58.7	Low	129 Å²	129	100.8 Å²	100.8	79%	0.791	55%	0.554	S	S	*	*			trans	-68.2	109.9	167.4	47.9	0	0	0	0	110.3	N56	T54-N56 PolarHBondContact O-N 3.49Å
55	S	65.3	Low	60.2	Low	80 Å²	80	103 Å²	103	56%	0.559	56%	0.555	S	S	*	*			trans	-75.4	112.7	175.9	55.2	0	0	0	0	110.8	K53 T57	K53-S55 PolarHBondContact O-N 2.79Å; S55-T57 PolarHBondContact O-N 3.17Å; S55-T57 PolarHBondContact O-OG1 3.32Å
56	N	86	Confident	61.9	Low	76 Å²	76	98.5 Å²	98.5	41%	0.406	53%	0.529	S	S	.	.			trans	-71.9	65.2	177.9	-68.5	-2.4	0	0	0	112	T54 V72 I122	T54-N56 PolarHBondContact O-N 3.49Å; N56-V72 PolarHBondContact O-N 3.3Å; N56-I122 HydrophobicContact CB-CD1 4.25Å
57	T	90.7	Very high	64.3	Low	35 Å²	35	105 Å²	105	22%	0.215	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	145.5	-172.1	60.3	0	0	0	0	112.1	S55 V69 V70 G123	S55-T57 PolarHBondContact O-N 3.17Å; S55-T57 PolarHBondContact O-OG1 3.32Å; T57-V69 HydrophobicContact CG2-CG1 4.15Å; T57-V70 CarbonylContact C-O 3.56Å; T57-V70 VanDerWaalsContact CA-O 3.28Å; T57-V70 WeakPolarHBondContact CA-O 3.07Å; T57-G123 PolarHBondContact O-N 3.43Å
58	I	91.4	Very high	66.9	Low	0 Å²	0	96.5 Å²	96.5	0%	0	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.4	172.4	-54.6	173.2	0	0	0	108.4	V60 V69 V70 V72 A118 L121 L126	I58-V60 HydrophobicContact CG2-CG2 4.02Å; I58-V69 WeakPolarHBondContact O-CA 3.48Å; I58-V70 HydrophobicContact CB-CG2 3.85Å; I58-V70 PolarHBondContact N-O 2.98Å; I58-V70 PolarHBondContact O-N 2.93Å; I58-V72 HydrophobicContact CD1-CG2 3.47Å; I58-V72 VanDerWaalsContact CD1-CG2 3.47Å; I58-V72 HydrophobicContact CG1-CG2 3.5Å; I58-A118 HydrophobicContact CD1-CB 4.28Å; I58-L121 HydrophobicContact CD1-CB 3.69Å; I58-L121 HydrophobicContact CG1-CB 4.39Å; I58-L121 WeakPolarHBondContact CG1-O 3.43Å; I58-L126 HydrophobicContact CG2-CB 4.48Å; I58-L126 HydrophobicContact CG2-CD1 3.67Å; I58-L126 HydrophobicContact CG2-CG 3.63Å
59	R	92.1	Very high	69.5	Low	148 Å²	148	93.1 Å²	93.1	56%	0.558	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.8	170.8	-66.2	175.8	-176.6	165.2	7	109.3	V69 E124 E125 L126	R59-V69 HydrophobicContact CG-CG2 4.36Å; R59-E124 PolarHBondContact N-O 2.99Å; R59-E125 HydrophobicContact CB-CG 4.19Å; R59-E125 WeakPolarHBondContact CD-OE1 3.28Å; R59-E125 IonicContact CZ-OE1 3.71Å; R59-E125 IonicContact NE-OE1 3.84Å; R59-E125 IonicContact NH1-OE1 2.79Å; R59-E125 PolarHBondContact NH1-OE1 2.88Å; R59-L126 PolarHBondContact O-N 3.48Å
60	V	91.5	Very high	72.4	Confident	2 Å²	2	87.4 Å²	87.4	1%	0.012	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	112.4	-173.5	-171.2	0	0	0	0	109.5	I58 L62 R67 T68 V70 L82 L126 V128	I58-V60 HydrophobicContact CG2-CG2 4.02Å; V60-L62 HydrophobicContact CG1-CD2 3.79Å; V60-L62 HydrophobicContact CG1-CG 4.22Å; V60-R67 CarbonylContact O-C 3.5Å; V60-R67 WeakPolarHBondContact O-CA 3.23Å; V60-T68 HydrophobicContact CB-CG2 3.81Å; V60-T68 HydrophobicContact CG1-CG2 4.47Å; V60-T68 HydrophobicContact CG2-CG2 4.46Å; V60-T68 PolarHBondContact N-O 3.41Å; V60-T68 PolarHBondContact O-N 3.46Å; V60-V70 HydrophobicContact CG2-CG2 3.84Å; V60-L82 HydrophobicContact CB-CD2 4.31Å; V60-L82 HydrophobicContact CG1-CD2 3.87Å; V60-L82 HydrophobicContact CG2-CD2 3.67Å; V60-L126 CarbonylContact C-O 3.59Å; V60-L126 WeakPolarHBondContact CA-O 3.42Å; V60-L126 HydrophobicContact CG1-CB 4.48Å; V60-L126 HydrophobicContact CG2-CB 4.48Å; V60-V128 HydrophobicContact CG1-CG2 3.72Å
61	F	88.9	Confident	75.1	Confident	76 Å²	76	86.5 Å²	86.5	33%	0.333	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	131.2	165.5	-60.5	-80.7	0	0	0	108.7	R67 L101 E125 L126 Q127 V128	F61-R67 HydrophobicContact CD1-CB 4.34Å; F61-L101 HydrophobicContact CD2-CD1 3.68Å; F61-L101 HydrophobicContact CE2-CD1 3.88Å; F61-E125 HydrophobicContact CE2-CB 4.15Å; F61-E125 WeakPolarHBondContact CE2-OE2 3.4Å; F61-L126 PolarHBondContact N-O 2.65Å; F61-Q127 HydrophobicContact CB-CB 4.46Å; F61-Q127 HydrophobicContact CB-CG 4.48Å; F61-V128 PolarHBondContact O-N 3.48Å
62	L	81.8	Confident	77.9	Confident	8 Å²	8	80.7 Å²	80.7	4%	0.042	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	161.3	-176.6	-65.3	173	0	0	0	109.2	V60 Q66 T68 L86 V128	V60-L62 HydrophobicContact CG1-CD2 3.79Å; V60-L62 HydrophobicContact CG1-CG 4.22Å; L62-Q66 HydrophobicContact CB-CB 4.16Å; L62-Q66 PolarHBondContact N-O 3.07Å; L62-Q66 PolarHBondContact O-N 3.05Å; L62-T68 HydrophobicContact CD1-CG2 3.67Å; L62-T68 HydrophobicContact CG-CG2 4.28Å; L62-L86 HydrophobicContact CD2-CD2 4.08Å; L62-V128 HydrophobicContact CD2-CB 3.85Å; L62-V128 HydrophobicContact CD2-CG2 3.67Å
63	P	69.7	Low	80.4	Confident	14 Å²	14	86 Å²	86	9%	0.091	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	157.8	179.7	-25.9	35.4	0	0	0	113.1	L91 V128 F130	P63-L91 HydrophobicContact CG-CD1 4.27Å; P63-V128 VanDerWaalsContact CD-O 3.24Å; P63-V128 WeakPolarHBondContact CD-O 3.28Å; P63-V128 WeakPolarHBondContact CG-O 3.24Å; P63-F130 HydrophobicContact CB-CD2 4.07Å; P63-F130 HydrophobicContact CB-CE2 3.34Å; P63-F130 HydrophobicContact CB-CZ 3.65Å; P63-F130 HydrophobicContact CG-CD2 4.11Å; P63-F130 HydrophobicContact CG-CE1 4.18Å; P63-F130 HydrophobicContact CG-CE2 3.66Å; P63-F130 HydrophobicContact CG-CZ 3.69Å
64	N	65.3	Low	82.3	Confident	87 Å²	87	82.5 Å²	82.5	47%	0.465	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	38.9	-174.5	-55.9	-31.6	0	0	0	114.5	Q66	N64-Q66 PolarHBondContact O-N 3.32Å
65	K	70.5	Confident	83.9	Confident	216 Å²	216	79.8 Å²	79.8	94%	0.939	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	26.1	178.5	-56.5	-176.9	179.5	-179.2	0	114
66	Q	75.4	Confident	85	Confident	69 Å²	69	78.5 Å²	78.5	32%	0.322	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	155.5	179.4	-59.5	-169.8	10.6	0	0	110.4	L62 N64	L62-Q66 HydrophobicContact CB-CB 4.16Å; L62-Q66 PolarHBondContact N-O 3.07Å; L62-Q66 PolarHBondContact O-N 3.05Å; N64-Q66 PolarHBondContact O-N 3.32Å
67	R	86.1	Confident	85.3	Confident	203 Å²	203	76 Å²	76	77%	0.766	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	153	172.7	65.6	-179.3	-179.3	-178.2	-0.1	110.8	V60 F61	V60-R67 CarbonylContact O-C 3.5Å; V60-R67 WeakPolarHBondContact O-CA 3.23Å; F61-R67 HydrophobicContact CD1-CB 4.34Å
68	T	90.5	Very high	85.3	Confident	34 Å²	34	74.3 Å²	74.3	21%	0.209	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	160.1	171.6	-162.5	0	0	0	0	109.2	V60 L62 V70 A85	V60-T68 HydrophobicContact CB-CG2 3.81Å; V60-T68 HydrophobicContact CG1-CG2 4.47Å; V60-T68 HydrophobicContact CG2-CG2 4.46Å; V60-T68 PolarHBondContact N-O 3.41Å; V60-T68 PolarHBondContact O-N 3.46Å; L62-T68 HydrophobicContact CD1-CG2 3.67Å; L62-T68 HydrophobicContact CG-CG2 4.28Å; T68-V70 HydrophobicContact CG2-CG1 4.19Å; T68-A85 HydrophobicContact CG2-CB 4.02Å
69	V	91.4	Very high	85.3	Confident	83 Å²	83	76.9 Å²	76.9	50%	0.503	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133	167.9	-177.1	0	0	0	0	106.8	T57 I58 R59	T57-V69 HydrophobicContact CG2-CG1 4.15Å; I58-V69 WeakPolarHBondContact O-CA 3.48Å; R59-V69 HydrophobicContact CG-CG2 4.36Å
70	V	90.7	Very high	85.2	Confident	13 Å²	13	73.4 Å²	73.4	8%	0.079	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.1	179.2	-65.5	0	0	0	0	109.8	T57 I58 V60 T68 C81 L82 A85	T57-V70 CarbonylContact C-O 3.56Å; T57-V70 VanDerWaalsContact CA-O 3.28Å; T57-V70 WeakPolarHBondContact CA-O 3.07Å; I58-V70 HydrophobicContact CB-CG2 3.85Å; I58-V70 PolarHBondContact N-O 2.98Å; I58-V70 PolarHBondContact O-N 2.93Å; V60-V70 HydrophobicContact CG2-CG2 3.84Å; T68-V70 HydrophobicContact CG2-CG1 4.19Å; V70-C81 WeakPolarHBondContact CG2-SG 3.42Å; V70-L82 HydrophobicContact CG1-CD2 4.39Å; V70-L82 HydrophobicContact CG2-CD2 4.29Å; V70-A85 HydrophobicContact CG1-CB 4.3Å
71	N	89.9	Confident	85.1	Confident	125 Å²	125	73.8 Å²	73.8	67%	0.668	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	132.8	177.8	-63.7	-5.5	0	0	0	109.1
72	V	88.6	Confident	85.2	Confident	9 Å²	9	70.2 Å²	70.2	6%	0.055	36%	0.355	C	S	.	.			trans	-98.2	145.3	-177.8	-177.9	0	0	0	0	110.6	N56 I58 A118 A119 I122	N56-V72 PolarHBondContact O-N 3.3Å; I58-V72 HydrophobicContact CD1-CG2 3.47Å; I58-V72 VanDerWaalsContact CD1-CG2 3.47Å; I58-V72 HydrophobicContact CG1-CG2 3.5Å; V72-A118 HydrophobicContact CG1-CB 3.91Å; V72-A118 HydrophobicContact CG2-CB 4.39Å; V72-A119 HydrophobicContact CG1-CB 4.38Å; V72-I122 HydrophobicContact CB-CD1 4.17Å; V72-I122 HydrophobicContact CB-CG1 3.95Å; V72-I122 HydrophobicContact CG1-CD1 4.04Å; V72-I122 HydrophobicContact CG1-CG1 4.02Å; V72-I122 HydrophobicContact CG2-CG1 4.02Å
73	R	86.8	Confident	85.5	Confident	191 Å²	191	73.7 Å²	73.7	72%	0.721	37%	0.372	S	S	*	.			trans	-122.2	144.9	166.6	-63.1	-179.9	178.1	-175.1	-3.1	108	G75 M76	R73-G75 PolarHBondContact O-N 2.84Å; R73-M76 WeakPolarHBondContact O-CB 3.4Å; R73-M76 PolarHBondContact O-N 2.87Å; R73-M76 VanDerWaalsContact O-N 3.16Å
74	N	83.3	Confident	86.2	Confident	135 Å²	135	81.1 Å²	81.1	72%	0.722	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	135.5	178.3	-62.4	0.1	0	0	0	110.3	M76	N74-M76 VanDerWaalsContact C-N 3.32Å
75	G	85.5	Confident	87.2	Confident	71 Å²	71	77.5 Å²	77.5	73%	0.732	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	9.3	-177.9	0	0	0	0	0	115.4	R73	R73-G75 PolarHBondContact O-N 2.84Å
76	M	89	Confident	87.8	Confident	53 Å²	53	67.2 Å²	67.2	26%	0.261	34%	0.341	S	S	.	.			trans	-85.4	128	173.8	-178.2	169.2	-86.5	0	0	110.6	R73 N74 D80 C81 A118	R73-M76 WeakPolarHBondContact O-CB 3.4Å; R73-M76 PolarHBondContact O-N 2.87Å; R73-M76 VanDerWaalsContact O-N 3.16Å; N74-M76 VanDerWaalsContact C-N 3.32Å; M76-D80 HydrophobicContact CG-CB 3.94Å; M76-C81 HydrophobicContact CG-CB 4.12Å; M76-C81 HydrophobicContact SD-CB 3.94Å; M76-A118 WeakPolarHBondContact O-CB 3.46Å; M76-A118 PolarHBondContact O-N 3.46Å
77	S	91.8	Very high	88	Confident	23 Å²	23	71.9 Å²	71.9	16%	0.161	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-67.3	154.9	173	72.9	0	0	0	0	111.9	H79 D80 C81	S77-H79 PolarHBondContact O-N 2.87Å; S77-D80 PolarHBondContact O-N 3Å; S77-D80 VanDerWaalsContact O-N 3.14Å; S77-D80 PolarHBondContact OG-N 3.39Å; S77-D80 PolarHBondContact OG-OD2 3.17Å; S77-C81 WeakPolarHBondContact O-CB 3.2Å; S77-C81 PolarHBondContact O-N 3.4Å
78	L	91.2	Very high	87.6	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-57.1	-36.3	171.9	-178.1	60.6	0	0	0	111.8	L82 V98 L112 W114 T116 L121 L126	L78-L82 HydrophobicContact CD1-CD1 3.66Å; L78-L82 HydrophobicContact CD1-CG 4.01Å; L78-L82 HydrophobicContact CG-CD1 4.05Å; L78-L82 WeakPolarHBondContact O-CB 3.47Å; L78-L82 WeakPolarHBondContact O-CG 3.32Å; L78-L82 PolarHBondContact O-N 3.44Å; L78-L82 VanDerWaalsContact O-N 3.09Å; L78-V98 HydrophobicContact CD1-CG1 4.47Å; L78-V98 HydrophobicContact CD2-CB 3.95Å; L78-V98 HydrophobicContact CD2-CG1 4.02Å; L78-V98 HydrophobicContact CD2-CG2 4.09Å; L78-V98 HydrophobicContact CG-CG2 4.46Å; L78-L112 HydrophobicContact CD2-CB 3.7Å; L78-L112 HydrophobicContact CD2-CD1 3.91Å; L78-L112 HydrophobicContact CD2-CG 4.48Å; L78-W114 PolarHBondContact N-O 3.46Å; L78-T116 WeakPolarHBondContact CB-O 3.24Å; L78-T116 PolarHBondContact N-O 3.04Å; L78-L121 HydrophobicContact CD1-CD1 3.92Å; L78-L121 HydrophobicContact CD2-CD1 4.35Å; L78-L126 HydrophobicContact CD1-CD1 3.74Å
79	H	90.7	Very high	86.7	Confident	55 Å²	55	68.3 Å²	68.3	26%	0.255	36%	0.355	S	S	.	.	H	α-helix	trans	-53.8	-57.3	170.1	175	-89.6	0	0	0	111.9	S77 C81 L82 M83 W114	S77-H79 PolarHBondContact O-N 2.87Å; H79-C81 VanDerWaalsContact C-N 3.31Å; H79-C81 PolarHBondContact O-N 3.16Å; H79-L82 PolarHBondContact O-N 3.15Å; H79-M83 WeakPolarHBondContact O-CB 3.27Å; H79-M83 PolarHBondContact O-N 3.37Å; H79-W114 HydrophobicContact CB-CB 4.32Å; H79-W114 HydrophobicContact CB-CE3 4.26Å; H79-W114 PolarHBondContact N-O 3.45Å
80	D	90.3	Very high	85.5	Confident	75 Å²	75	66.5 Å²	66.5	40%	0.401	35%	0.353	S	S	.	.	H	α-helix	trans	-69	-33.2	-174	-58.3	-40.4	0	0	0	112.3	M76 S77	M76-D80 HydrophobicContact CG-CB 3.94Å; S77-D80 PolarHBondContact O-N 3Å; S77-D80 VanDerWaalsContact O-N 3.14Å; S77-D80 PolarHBondContact OG-N 3.39Å; S77-D80 PolarHBondContact OG-OD2 3.17Å
81	C	90.5	Very high	84.5	Confident	10 Å²	10	66.4 Å²	66.4	7%	0.068	35%	0.352	C	S	.	.	H	α-helix	trans	-62.7	-43.2	174.8	-166.8	0	0	0	0	112	V70 M76 S77 H79 A118	V70-C81 WeakPolarHBondContact CG2-SG 3.42Å; M76-C81 HydrophobicContact CG-CB 4.12Å; M76-C81 HydrophobicContact SD-CB 3.94Å; S77-C81 WeakPolarHBondContact O-CB 3.2Å; S77-C81 PolarHBondContact O-N 3.4Å; H79-C81 VanDerWaalsContact C-N 3.31Å; H79-C81 PolarHBondContact O-N 3.16Å; C81-A118 HydrophobicContact CB-CB 4.01Å
82	L	90.8	Very high	83.5	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-91.3	-26.1	-176.4	-65.3	-178.6	0	0	0	114.4	V60 V70 L78 H79 K84 A85 L86 V98 W114 V128	V60-L82 HydrophobicContact CB-CD2 4.31Å; V60-L82 HydrophobicContact CG1-CD2 3.87Å; V60-L82 HydrophobicContact CG2-CD2 3.67Å; V70-L82 HydrophobicContact CG1-CD2 4.39Å; V70-L82 HydrophobicContact CG2-CD2 4.29Å; L78-L82 HydrophobicContact CD1-CD1 3.66Å; L78-L82 HydrophobicContact CD1-CG 4.01Å; L78-L82 HydrophobicContact CG-CD1 4.05Å; L78-L82 WeakPolarHBondContact O-CB 3.47Å; L78-L82 WeakPolarHBondContact O-CG 3.32Å; L78-L82 PolarHBondContact O-N 3.44Å; L78-L82 VanDerWaalsContact O-N 3.09Å; H79-L82 PolarHBondContact O-N 3.15Å; L82-K84 PolarHBondContact O-N 2.96Å; L82-K84 VanDerWaalsContact O-N 3.09Å; L82-A85 PolarHBondContact O-N 3.23Å; L82-L86 HydrophobicContact CB-CD1 3.92Å; L82-L86 HydrophobicContact CB-CG 4.29Å; L82-L86 WeakPolarHBondContact O-CG 3.4Å; L82-L86 PolarHBondContact O-N 2.89Å; L82-V98 HydrophobicContact CD1-CG1 4.02Å; L82-V98 HydrophobicContact CD1-CG2 3.65Å; L82-W114 HydrophobicContact CB-CZ3 4.24Å; L82-W114 HydrophobicContact CD1-CH2 4.44Å; L82-W114 HydrophobicContact CD1-CZ3 3.9Å; L82-V128 HydrophobicContact CD1-CG2 4.15Å
83	M	87.5	Confident	83	Confident	81 Å²	81	65.3 Å²	65.3	40%	0.399	34%	0.343	S	S	.	.	H	α-helix	trans	-50.1	-41.9	-173.2	171.4	173.7	45.8	0	0	112.7	H79 K87	H79-M83 WeakPolarHBondContact O-CB 3.27Å; H79-M83 PolarHBondContact O-N 3.37Å; M83-K87 WeakPolarHBondContact O-CB 3.26Å; M83-K87 PolarHBondContact O-N 3.09Å
84	K	85.6	Confident	82.2	Confident	169 Å²	169	59.7 Å²	59.7	74%	0.735	33%	0.325	S	S	*	.	H	α-helix	trans	-64.9	-43.5	177.4	-171.1	177.5	-179.5	-178.9	0	112.2	L82 V88	L82-K84 PolarHBondContact O-N 2.96Å; L82-K84 VanDerWaalsContact O-N 3.09Å; K84-V88 VanDerWaalsContact O-CG2 3.26Å; K84-V88 WeakPolarHBondContact O-CG2 3.47Å; K84-V88 PolarHBondContact O-N 3.25Å
85	A	85.7	Confident	81.6	Confident	11 Å²	11	53.8 Å²	53.8	9%	0.091	29%	0.294	C	S	.	.	H	α-helix	trans	-70.9	-33.2	-178.8	0	0	0	0	0	113.1	T68 V70 L82 R89	T68-A85 HydrophobicContact CG2-CB 4.02Å; V70-A85 HydrophobicContact CG1-CB 4.3Å; L82-A85 PolarHBondContact O-N 3.23Å; A85-R89 PolarHBondContact O-NH1 2.9Å
86	L	83.1	Confident	81.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.9	-50.6	174.3	-65.5	171.3	0	0	0	111	L62 L82 V88 R89 G90 L91 P93 W114 V128	L62-L86 HydrophobicContact CD2-CD2 4.08Å; L82-L86 HydrophobicContact CB-CD1 3.92Å; L82-L86 HydrophobicContact CB-CG 4.29Å; L82-L86 WeakPolarHBondContact O-CG 3.4Å; L82-L86 PolarHBondContact O-N 2.89Å; L86-V88 VanDerWaalsContact C-N 3.32Å; L86-V88 PolarHBondContact O-N 3.42Å; L86-R89 CarbonylContact O-C 3.57Å; L86-R89 WeakPolarHBondContact O-CA 3.34Å; L86-R89 PolarHBondContact O-N 2.96Å; L86-G90 PolarHBondContact O-N 3.19Å; L86-L91 CarbonylContact C-O 3.58Å; L86-L91 HydrophobicContact CB-CB 3.98Å; L86-L91 HydrophobicContact CD2-CB 3.9Å; L86-L91 HydrophobicContact CD2-CD1 3.86Å; L86-L91 PolarHBondContact O-N 2.66Å; L86-P93 HydrophobicContact CD1-CB 4.3Å; L86-P93 HydrophobicContact CD1-CG 3.93Å; L86-W114 HydrophobicContact CD1-CH2 3.74Å; L86-W114 HydrophobicContact CD1-CZ3 4.05Å; L86-V128 HydrophobicContact CD2-CG1 4.14Å
87	K	79.1	Confident	81.1	Confident	167 Å²	167	48 Å²	48	73%	0.726	25%	0.248	S	C	*	.	H	α-helix	trans	-59.2	-38.9	-179.4	-173.6	172.5	-176.4	173.5	0	113	M83 R89 G90	M83-K87 WeakPolarHBondContact O-CB 3.26Å; M83-K87 PolarHBondContact O-N 3.09Å; K87-R89 PolarHBondContact O-N 2.9Å; K87-G90 PolarHBondContact O-N 2.79Å; K87-G90 VanDerWaalsContact O-N 3.09Å
88	V	78.2	Confident	81	Confident	114 Å²	114	47 Å²	47	69%	0.691	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.3	174.4	166.5	0	0	0	0	112.6	K84 L86	K84-V88 VanDerWaalsContact O-CG2 3.26Å; K84-V88 WeakPolarHBondContact O-CG2 3.47Å; K84-V88 PolarHBondContact O-N 3.25Å; L86-V88 VanDerWaalsContact C-N 3.32Å; L86-V88 PolarHBondContact O-N 3.42Å
89	R	70.3	Confident	80.9	Confident	49 Å²	49	48.9 Å²	48.9	19%	0.185	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	7.2	178.5	-70	165.5	172.7	92.5	-0.8	113.1	A85 L86 K87 L91 T182	A85-R89 PolarHBondContact O-NH1 2.9Å; L86-R89 CarbonylContact O-C 3.57Å; L86-R89 WeakPolarHBondContact O-CA 3.34Å; L86-R89 PolarHBondContact O-N 2.96Å; K87-R89 PolarHBondContact O-N 2.9Å; R89-L91 HydrophobicContact CB-CD1 4.09Å; R89-L91 HydrophobicContact CB-CG 3.93Å; R89-L91 PolarHBondContact O-N 2.82Å; R89-T182 WeakPolarHBondContact O-CG2 3.26Å; R89-T182 PolarHBondContact O-OG1 3.01Å
90	G	66.4	Low	80.9	Confident	44 Å²	44	49.5 Å²	49.5	45%	0.454	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	22.1	-174	0	0	0	0	0	113.6	L86 K87	L86-G90 PolarHBondContact O-N 3.19Å; K87-G90 PolarHBondContact O-N 2.79Å; K87-G90 VanDerWaalsContact O-N 3.09Å
91	L	70.7	Confident	80.5	Confident	12 Å²	12	48 Å²	48	6%	0.063	24%	0.241	C	C	.	.			trans	-91.2	133.9	174.3	-55.6	177.5	0	0	0	109.4	P63 L86 R89 F130 M183	P63-L91 HydrophobicContact CG-CD1 4.27Å; L86-L91 CarbonylContact C-O 3.58Å; L86-L91 HydrophobicContact CB-CB 3.98Å; L86-L91 HydrophobicContact CD2-CB 3.9Å; L86-L91 HydrophobicContact CD2-CD1 3.86Å; L86-L91 PolarHBondContact O-N 2.66Å; R89-L91 HydrophobicContact CB-CD1 4.09Å; R89-L91 HydrophobicContact CB-CG 3.93Å; R89-L91 PolarHBondContact O-N 2.82Å; L91-F130 HydrophobicContact CD2-CE1 3.69Å; L91-F130 HydrophobicContact CD2-CZ 3.74Å; L91-M183 HydrophobicContact CD2-CG 4.12Å
92	Q	69.6	Low	79.8	Confident	101 Å²	101	51.3 Å²	51.3	47%	0.472	26%	0.257	S	S	.	.			trans	-98.3	127.9	172.6	-73.8	-98.4	-117.4	0	0	107.3	E94 C95	Q92-E94 WeakPolarHBondContact CB-OE2 3.4Å; Q92-E94 PolarHBondContact O-N 3.18Å; Q92-C95 PolarHBondContact O-N 2.82Å
93	P	78.2	Confident	78.7	Confident	10 Å²	10	59.9 Å²	59.9	7%	0.065	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-48.2	-34.6	177.3	-28	33.5	0	0	0	113.3	L86 C95 C96 W114	L86-P93 HydrophobicContact CD1-CB 4.3Å; L86-P93 HydrophobicContact CD1-CG 3.93Å; P93-C95 PolarHBondContact O-N 3.24Å; P93-C96 PolarHBondContact O-N 3.19Å; P93-C96 VanDerWaalsContact O-O 3.07Å; P93-W114 HydrophobicContact CB-CD2 4.41Å; P93-W114 HydrophobicContact CB-CE3 4.43Å; P93-W114 HydrophobicContact CB-CH2 3.92Å; P93-W114 HydrophobicContact CB-CZ2 3.9Å; P93-W114 HydrophobicContact CB-CZ3 4.18Å; P93-W114 WeakPolarHBondContact O-CZ2 3.21Å
94	E	69.6	Low	77.4	Confident	73 Å²	73	64.8 Å²	64.8	34%	0.341	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-75	-11.8	-175.1	-46	92.2	154.6	0	0	113.2	Q92 L131 L194	Q92-E94 WeakPolarHBondContact CB-OE2 3.4Å; Q92-E94 PolarHBondContact O-N 3.18Å; E94-L131 WeakPolarHBondContact O-CD1 3.38Å; E94-L194 HydrophobicContact CB-CD2 3.5Å; E94-L194 HydrophobicContact CB-CG 4.42Å; E94-L194 HydrophobicContact CG-CD2 3.46Å; E94-L194 VanDerWaalsContact CG-CD2 3.46Å
95	C	70.2	Confident	75.9	Confident	11 Å²	11	62.1 Å²	62.1	7%	0.074	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-94.2	-3.1	168.5	-61.3	0	0	0	0	113	Q92 P93 L131	Q92-C95 PolarHBondContact O-N 2.82Å; P93-C95 PolarHBondContact O-N 3.24Å; C95-L131 PolarHBondContact O-N 3.31Å; C95-L131 VanDerWaalsContact O-N 3.13Å
96	C	79.5	Confident	74.3	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.007	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	156.9	-168.9	-71	0	0	0	0	112.1	P93 W114 V128 D129	P93-C96 PolarHBondContact O-N 3.19Å; P93-C96 VanDerWaalsContact O-O 3.07Å; C96-W114 HydrophobicContact CB-CH2 4.37Å; C96-W114 HydrophobicContact CB-CZ2 3.97Å; C96-V128 HydrophobicContact CB-CG1 3.63Å; C96-D129 CarbonylContact C-O 3.48Å; C96-D129 WeakPolarHBondContact CA-O 3.34Å
97	A	84.6	Confident	73	Confident	2 Å²	2	75.8 Å²	75.8	2%	0.017	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.2	164	0	0	0	0	0	109.1	F99 V128 D129 L131	A97-F99 HydrophobicContact CB-CD2 4.43Å; A97-F99 HydrophobicContact CB-CE2 3.57Å; A97-F99 HydrophobicContact CB-CZ 3.84Å; A97-V128 WeakPolarHBondContact O-CA 3.2Å; A97-D129 PolarHBondContact N-O 3.23Å; A97-D129 PolarHBondContact O-N 3.09Å; A97-L131 HydrophobicContact CB-CD2 3.78Å
98	V	89	Confident	72.4	Confident	0 Å²	0	74 Å²	74	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.4	176.5	-164.2	0	0	0	0	108.8	L78 L82 L112 W114 L126 V128	L78-V98 HydrophobicContact CD1-CG1 4.47Å; L78-V98 HydrophobicContact CD2-CB 3.95Å; L78-V98 HydrophobicContact CD2-CG1 4.02Å; L78-V98 HydrophobicContact CD2-CG2 4.09Å; L78-V98 HydrophobicContact CG-CG2 4.46Å; L82-V98 HydrophobicContact CD1-CG1 4.02Å; L82-V98 HydrophobicContact CD1-CG2 3.65Å; V98-L112 HydrophobicContact CB-CB 4.47Å; V98-L112 HydrophobicContact CG1-CD1 4.32Å; V98-L112 PolarHBondContact O-N 3.39Å; V98-W114 HydrophobicContact CG2-CD2 4.4Å; V98-W114 HydrophobicContact CG2-CE3 4.02Å; V98-W114 HydrophobicContact CG2-CH2 3.34Å; V98-W114 HydrophobicContact CG2-CZ2 3.74Å; V98-W114 HydrophobicContact CG2-CZ3 3.51Å; V98-L126 HydrophobicContact CG1-CB 4.08Å; V98-L126 HydrophobicContact CG1-CD1 3.94Å; V98-L126 HydrophobicContact CG1-CG 4.49Å; V98-V128 HydrophobicContact CG1-CG2 4.28Å; V98-V128 HydrophobicContact CG2-CG2 4.29Å
99	F	89.2	Confident	72.4	Confident	40 Å²	40	72.7 Å²	72.7	18%	0.175	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.3	-179.8	-62	-90.2	0	0	0	110.1	A97 K109 A110 R111 L126 Q127 D129	A97-F99 HydrophobicContact CB-CD2 4.43Å; A97-F99 HydrophobicContact CB-CE2 3.57Å; A97-F99 HydrophobicContact CB-CZ 3.84Å; F99-K109 HydrophobicContact CB-CB 4.04Å; F99-K109 HydrophobicContact CB-CD 4.18Å; F99-K109 HydrophobicContact CB-CG 4.28Å; F99-K109 HydrophobicContact CD1-CB 3.89Å; F99-K109 HydrophobicContact CD1-CD 4.4Å; F99-K109 HydrophobicContact CG-CB 4.24Å; F99-K109 HydrophobicContact CG-CD 4.19Å; F99-A110 CarbonylContact C-O 3.56Å; F99-A110 VanDerWaalsContact CA-O 3.24Å; F99-A110 WeakPolarHBondContact CA-O 3.19Å; F99-R111 HydrophobicContact CD1-CB 3.99Å; F99-R111 HydrophobicContact CE1-CB 3.85Å; F99-R111 HydrophobicContact CE1-CG 4.26Å; F99-L126 CarbonylContact O-C 3.53Å; F99-L126 VanDerWaalsContact O-CA 3.26Å; F99-L126 WeakPolarHBondContact O-CA 3.48Å; F99-Q127 PolarHBondContact N-O 3.16Å; F99-Q127 PolarHBondContact O-N 2.97Å; F99-D129 HydrophobicContact CD2-CB 4.32Å; F99-D129 HydrophobicContact CE2-CB 3.97Å
100	R	90.2	Very high	73	Confident	68 Å²	68	72.2 Å²	72.2	26%	0.257	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.9	165.1	-168.2	-172.4	-65.7	-176.6	1.1	109.2	A110 L112 E124 L126	R100-A110 HydrophobicContact CB-CB 4.49Å; R100-A110 PolarHBondContact N-O 3.35Å; R100-A110 PolarHBondContact O-N 2.69Å; R100-A110 VanDerWaalsContact O-N 3.13Å; R100-L112 HydrophobicContact CB-CD1 4.28Å; R100-L112 HydrophobicContact CB-CD2 4.34Å; R100-L112 HydrophobicContact CB-CG 4.37Å; R100-E124 WeakPolarHBondContact CD-OE2 3.24Å; R100-E124 HydrophobicContact CG-CG 4.48Å; R100-E124 VanDerWaalsContact CG-OE2 3.27Å; R100-E124 WeakPolarHBondContact CG-OE2 3.4Å; R100-L126 HydrophobicContact CB-CD2 4.17Å; R100-L126 HydrophobicContact CG-CD2 4.29Å
101	L	83.2	Confident	74	Confident	44 Å²	44	77.6 Å²	77.6	23%	0.23	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	106.4	174.8	-67.2	164.8	0	0	0	109.6	F61 Q103 K109 E125 Q127	F61-L101 HydrophobicContact CD2-CD1 3.68Å; F61-L101 HydrophobicContact CE2-CD1 3.88Å; L101-Q103 PolarHBondContact O-N 3.39Å; L101-K109 HydrophobicContact CD2-CG 4.22Å; L101-E125 HydrophobicContact CB-CB 4.46Å; L101-E125 WeakPolarHBondContact CB-O 3.44Å; L101-E125 HydrophobicContact CD1-CB 4.05Å; L101-E125 PolarHBondContact N-O 3.09Å; L101-Q127 HydrophobicContact CD1-CB 4.23Å; L101-Q127 HydrophobicContact CD2-CB 4.24Å; L101-Q127 HydrophobicContact CG-CB 4.23Å
102	L	76.2	Confident	74.8	Confident	80 Å²	80	78 Å²	78	42%	0.419	38%	0.381	S	S	.	.			trans	-78.7	119.5	178.9	-64.1	170	0	0	0	110.2	E104 K108	L102-E104 VanDerWaalsContact C-N 3.33Å; L102-E104 PolarHBondContact O-N 3.17Å; L102-K108 HydrophobicContact CD1-CB 4.36Å
103	Q	66.1	Low	75.7	Confident	181 Å²	181	77.6 Å²	77.6	85%	0.846	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-29.9	-176.6	-66.2	-169.2	3.2	0	0	113.7	L101 H105	L101-Q103 PolarHBondContact O-N 3.39Å; Q103-H105 PolarHBondContact O-N 3.27Å
104	E	60	Low	76.1	Confident	183 Å²	183	79.3 Å²	79.3	86%	0.855	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-16	-171.9	-62.2	-169.6	139.8	0	0	114.9	L102	L102-E104 VanDerWaalsContact C-N 3.33Å; L102-E104 PolarHBondContact O-N 3.17Å
105	H	54.7	Low	77.1	Confident	113 Å²	113	82 Å²	82	52%	0.523	41%	0.405	S	S	.	.	S	Bend	trans	-137.2	101	177.2	-75.8	-58.9	0	0	0	111.6	Q103 G107 K108	Q103-H105 PolarHBondContact O-N 3.27Å; H105-G107 PolarHBondContact O-N 2.75Å; H105-K108 HydrophobicContact CB-CB 4.17Å; H105-K108 HydrophobicContact CB-CD 3.98Å; H105-K108 HydrophobicContact CB-CG 4.17Å; H105-K108 PolarHBondContact O-N 2.75Å
106	K	51.4	Low	78	Confident	221 Å²	221	83.2 Å²	83.2	96%	0.961	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	105.9	172	-78.2	-176.7	175.7	176.5	0	111
107	G	57.3	Low	78.5	Confident	78 Å²	78	86.5 Å²	86.5	80%	0.804	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.4	-14.2	175.2	0	0	0	0	0	116.2	H105 K109	H105-G107 PolarHBondContact O-N 2.75Å; G107-K109 PolarHBondContact O-N 3.2Å
108	K	65.4	Low	78.8	Confident	129 Å²	129	86.4 Å²	86.4	56%	0.561	43%	0.428	S	S	*	.			trans	-81	117.1	175	-76.7	-174.8	178.4	173.8	0	111.1	L102 H105	L102-K108 HydrophobicContact CD1-CB 4.36Å; H105-K108 HydrophobicContact CB-CB 4.17Å; H105-K108 HydrophobicContact CB-CD 3.98Å; H105-K108 HydrophobicContact CB-CG 4.17Å; H105-K108 PolarHBondContact O-N 2.75Å
109	K	78.8	Confident	78.8	Confident	87 Å²	87	87.7 Å²	87.7	38%	0.378	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.7	172.9	-75.4	179.1	177.1	179.7	0	109.6	F99 L101 G107 Q127 D129	F99-K109 HydrophobicContact CB-CB 4.04Å; F99-K109 HydrophobicContact CB-CD 4.18Å; F99-K109 HydrophobicContact CB-CG 4.28Å; F99-K109 HydrophobicContact CD1-CB 3.89Å; F99-K109 HydrophobicContact CD1-CD 4.4Å; F99-K109 HydrophobicContact CG-CB 4.24Å; F99-K109 HydrophobicContact CG-CD 4.19Å; L101-K109 HydrophobicContact CD2-CG 4.22Å; G107-K109 PolarHBondContact O-N 3.2Å; K109-Q127 VanDerWaalsContact NZ-OE1 3.09Å; K109-D129 IonicContact NZ-OD2 2.9Å; K109-D129 PolarHBondContact NZ-OD2 3.21Å
110	A	83.1	Confident	78.8	Confident	39 Å²	39	89.1 Å²	89.1	32%	0.322	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.6	172.2	0	0	0	0	0	109.8	F99 R100	F99-A110 CarbonylContact C-O 3.56Å; F99-A110 VanDerWaalsContact CA-O 3.24Å; F99-A110 WeakPolarHBondContact CA-O 3.19Å; R100-A110 HydrophobicContact CB-CB 4.49Å; R100-A110 PolarHBondContact N-O 3.35Å; R100-A110 PolarHBondContact O-N 2.69Å; R100-A110 VanDerWaalsContact O-N 3.13Å
111	R	86	Confident	78.7	Confident	156 Å²	156	85.9 Å²	85.9	59%	0.589	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	133.2	177	-176.4	174.1	175	142.6	-3	109.9	F99	F99-R111 HydrophobicContact CD1-CB 3.99Å; F99-R111 HydrophobicContact CE1-CB 3.85Å; F99-R111 HydrophobicContact CE1-CG 4.26Å
112	L	89.1	Confident	79	Confident	22 Å²	22	86.5 Å²	86.5	12%	0.115	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	148.1	176	-61.5	176.3	0	0	0	110.4	L78 V98 R100 L121 L126	L78-L112 HydrophobicContact CD2-CB 3.7Å; L78-L112 HydrophobicContact CD2-CD1 3.91Å; L78-L112 HydrophobicContact CD2-CG 4.48Å; V98-L112 HydrophobicContact CB-CB 4.47Å; V98-L112 HydrophobicContact CG1-CD1 4.32Å; V98-L112 PolarHBondContact O-N 3.39Å; R100-L112 HydrophobicContact CB-CD1 4.28Å; R100-L112 HydrophobicContact CB-CD2 4.34Å; R100-L112 HydrophobicContact CB-CG 4.37Å; L112-L121 HydrophobicContact CD1-CD1 3.79Å; L112-L121 HydrophobicContact CD1-CD2 3.98Å; L112-L121 HydrophobicContact CD2-CD2 4.37Å; L112-L126 HydrophobicContact CD1-CD1 4.28Å; L112-L126 HydrophobicContact CD1-CD2 3.62Å
113	D	87.2	Confident	79.4	Confident	92 Å²	92	85.6 Å²	85.6	49%	0.492	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-80.8	146.5	169	-169.7	-93.7	0	0	0	110.6	N115 T116	D113-N115 PolarHBondContact O-N 2.85Å; D113-N115 VanDerWaalsContact OD1-CB 3.26Å; D113-N115 WeakPolarHBondContact OD1-CB 3.43Å; D113-N115 PolarHBondContact OD1-N 2.65Å; D113-N115 PolarHBondContact OD1-ND2 3.33Å; D113-T116 PolarHBondContact N-OG1 3.14Å; D113-T116 VanDerWaalsContact O-CB 3.26Å; D113-T116 WeakPolarHBondContact O-CB 3.26Å; D113-T116 PolarHBondContact O-N 2.65Å; D113-T116 PolarHBondContact O-OG1 2.99Å
114	W	88.2	Confident	80.5	Confident	45 Å²	45	79.9 Å²	79.9	17%	0.17	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.2	179.6	-74.7	111.8	0	0	0	113.6	L78 H79 L82 L86 P93 C96 V98	L78-W114 PolarHBondContact N-O 3.46Å; H79-W114 HydrophobicContact CB-CB 4.32Å; H79-W114 HydrophobicContact CB-CE3 4.26Å; H79-W114 PolarHBondContact N-O 3.45Å; L82-W114 HydrophobicContact CB-CZ3 4.24Å; L82-W114 HydrophobicContact CD1-CH2 4.44Å; L82-W114 HydrophobicContact CD1-CZ3 3.9Å; L86-W114 HydrophobicContact CD1-CH2 3.74Å; L86-W114 HydrophobicContact CD1-CZ3 4.05Å; P93-W114 HydrophobicContact CB-CD2 4.41Å; P93-W114 HydrophobicContact CB-CE3 4.43Å; P93-W114 HydrophobicContact CB-CH2 3.92Å; P93-W114 HydrophobicContact CB-CZ2 3.9Å; P93-W114 HydrophobicContact CB-CZ3 4.18Å; P93-W114 WeakPolarHBondContact O-CZ2 3.21Å; C96-W114 HydrophobicContact CB-CH2 4.37Å; C96-W114 HydrophobicContact CB-CZ2 3.97Å; V98-W114 HydrophobicContact CG2-CD2 4.4Å; V98-W114 HydrophobicContact CG2-CE3 4.02Å; V98-W114 HydrophobicContact CG2-CH2 3.34Å; V98-W114 HydrophobicContact CG2-CZ2 3.74Å; V98-W114 HydrophobicContact CG2-CZ3 3.51Å
115	N	89.4	Confident	81.9	Confident	131 Å²	131	73.5 Å²	73.5	70%	0.701	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-0.4	175.8	-52.6	-73	0	0	0	113.5	D113 D117	D113-N115 PolarHBondContact O-N 2.85Å; D113-N115 VanDerWaalsContact OD1-CB 3.26Å; D113-N115 WeakPolarHBondContact OD1-CB 3.43Å; D113-N115 PolarHBondContact OD1-N 2.65Å; D113-N115 PolarHBondContact OD1-ND2 3.33Å; N115-D117 PolarHBondContact O-N 3.31Å
116	T	89.5	Confident	83.7	Confident	35 Å²	35	68.1 Å²	68.1	22%	0.215	37%	0.373	C	S	.	.	S	Bend	trans	-56.4	133	175.6	-51.8	0	0	0	0	109.9	L78 D113 A118 L121	L78-T116 WeakPolarHBondContact CB-O 3.24Å; L78-T116 PolarHBondContact N-O 3.04Å; D113-T116 PolarHBondContact N-OG1 3.14Å; D113-T116 VanDerWaalsContact O-CB 3.26Å; D113-T116 WeakPolarHBondContact O-CB 3.26Å; D113-T116 PolarHBondContact O-N 2.65Å; D113-T116 PolarHBondContact O-OG1 2.99Å; T116-A118 PolarHBondContact O-N 2.81Å; T116-L121 HydrophobicContact CG2-CD1 4.18Å
117	D	91	Very high	85.5	Confident	71 Å²	71	60 Å²	60	38%	0.38	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-63.6	119.5	174.7	176.5	16.6	0	0	0	110.3	N115 A119 S120	N115-D117 PolarHBondContact O-N 3.31Å; D117-A119 PolarHBondContact O-N 2.8Å; D117-A119 WeakPolarHBondContact OD1-CB 3.41Å; D117-A119 PolarHBondContact OD1-N 3.26Å; D117-S120 WeakPolarHBondContact O-CB 3.2Å; D117-S120 PolarHBondContact O-N 2.81Å; D117-S120 VanDerWaalsContact O-N 3.15Å; D117-S120 PolarHBondContact O-OG 2.94Å
118	A	89.5	Confident	86.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-64.8	-22.9	-179.9	0	0	0	0	0	112.4	I58 V72 M76 C81 T116 S120 L121	I58-A118 HydrophobicContact CD1-CB 4.28Å; V72-A118 HydrophobicContact CG1-CB 3.91Å; V72-A118 HydrophobicContact CG2-CB 4.39Å; M76-A118 WeakPolarHBondContact O-CB 3.46Å; M76-A118 PolarHBondContact O-N 3.46Å; C81-A118 HydrophobicContact CB-CB 4.01Å; T116-A118 PolarHBondContact O-N 2.81Å; A118-S120 PolarHBondContact O-N 2.79Å; A118-L121 PolarHBondContact O-N 3.13Å; A118-L121 VanDerWaalsContact O-N 3.09Å
119	A	88.7	Confident	87.4	Confident	27 Å²	27	52.2 Å²	52.2	22%	0.223	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-63.3	-32.1	175.1	0	0	0	0	0	112.3	V72 D117 L121 I122	V72-A119 HydrophobicContact CG1-CB 4.38Å; D117-A119 PolarHBondContact O-N 2.8Å; D117-A119 WeakPolarHBondContact OD1-CB 3.41Å; D117-A119 PolarHBondContact OD1-N 3.26Å; A119-L121 PolarHBondContact O-N 3.09Å; A119-I122 HydrophobicContact CB-CD1 4.47Å; A119-I122 WeakPolarHBondContact O-CG1 3.16Å; A119-I122 PolarHBondContact O-N 3.39Å
120	S	89	Confident	87.1	Confident	69 Å²	69	50.3 Å²	50.3	48%	0.483	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-70.4	-3.9	174.6	75.6	0	0	0	0	114.8	D117 A118	D117-S120 WeakPolarHBondContact O-CB 3.2Å; D117-S120 PolarHBondContact O-N 2.81Å; D117-S120 VanDerWaalsContact O-N 3.15Å; D117-S120 PolarHBondContact O-OG 2.94Å; A118-S120 PolarHBondContact O-N 2.79Å
121	L	89	Confident	86.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-117	5.1	-175.4	-58.1	172.5	0	0	0	112.6	I58 L78 L112 T116 A118 A119 G123 E124 L126	I58-L121 HydrophobicContact CD1-CB 3.69Å; I58-L121 HydrophobicContact CG1-CB 4.39Å; I58-L121 WeakPolarHBondContact CG1-O 3.43Å; L78-L121 HydrophobicContact CD1-CD1 3.92Å; L78-L121 HydrophobicContact CD2-CD1 4.35Å; L112-L121 HydrophobicContact CD1-CD1 3.79Å; L112-L121 HydrophobicContact CD1-CD2 3.98Å; L112-L121 HydrophobicContact CD2-CD2 4.37Å; T116-L121 HydrophobicContact CG2-CD1 4.18Å; A118-L121 PolarHBondContact O-N 3.13Å; A118-L121 VanDerWaalsContact O-N 3.09Å; A119-L121 PolarHBondContact O-N 3.09Å; L121-G123 PolarHBondContact O-N 2.91Å; L121-E124 VanDerWaalsContact O-CB 3.23Å; L121-E124 WeakPolarHBondContact O-CB 3.44Å; L121-E124 PolarHBondContact O-N 2.95Å; L121-L126 HydrophobicContact CD1-CD1 4.2Å
122	I	88.5	Confident	84.8	Confident	57 Å²	57	49.6 Å²	49.6	29%	0.292	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	128.5	-179.3	-68.8	170.2	0	0	0	110.3	N56 V72 A119 E124	N56-I122 HydrophobicContact CB-CD1 4.25Å; V72-I122 HydrophobicContact CB-CD1 4.17Å; V72-I122 HydrophobicContact CB-CG1 3.95Å; V72-I122 HydrophobicContact CG1-CD1 4.04Å; V72-I122 HydrophobicContact CG1-CG1 4.02Å; V72-I122 HydrophobicContact CG2-CG1 4.02Å; A119-I122 HydrophobicContact CB-CD1 4.47Å; A119-I122 WeakPolarHBondContact O-CG1 3.16Å; A119-I122 PolarHBondContact O-N 3.39Å; I122-E124 VanDerWaalsContact C-N 3.3Å; I122-E124 PolarHBondContact O-N 3.09Å
123	G	85	Confident	83.1	Confident	61 Å²	61	56.2 Å²	56.2	63%	0.629	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-15.3	-176.3	0	0	0	0	0	115.3	T57 L121	T57-G123 PolarHBondContact O-N 3.43Å; L121-G123 PolarHBondContact O-N 2.91Å
124	E	89.1	Confident	81.5	Confident	62 Å²	62	52.3 Å²	52.3	29%	0.29	29%	0.288	S	S	.	.			trans	-69.5	158.2	176.4	-67.2	-76.1	165.4	0	0	112.5	R59 R100 L121 I122 L126	R59-E124 PolarHBondContact N-O 2.99Å; R100-E124 WeakPolarHBondContact CD-OE2 3.24Å; R100-E124 HydrophobicContact CG-CG 4.48Å; R100-E124 VanDerWaalsContact CG-OE2 3.27Å; R100-E124 WeakPolarHBondContact CG-OE2 3.4Å; L121-E124 VanDerWaalsContact O-CB 3.23Å; L121-E124 WeakPolarHBondContact O-CB 3.44Å; L121-E124 PolarHBondContact O-N 2.95Å; I122-E124 VanDerWaalsContact C-N 3.3Å; I122-E124 PolarHBondContact O-N 3.09Å; E124-L126 HydrophobicContact CB-CD2 4.38Å
125	E	90.4	Very high	79.6	Confident	49 Å²	49	53.2 Å²	53.2	23%	0.229	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.9	167.2	-56.5	-154.5	148.7	0	0	109.9	R59 F61 L101	R59-E125 HydrophobicContact CB-CG 4.19Å; R59-E125 WeakPolarHBondContact CD-OE1 3.28Å; R59-E125 IonicContact CZ-OE1 3.71Å; R59-E125 IonicContact NE-OE1 3.84Å; R59-E125 IonicContact NH1-OE1 2.79Å; R59-E125 PolarHBondContact NH1-OE1 2.88Å; F61-E125 HydrophobicContact CE2-CB 4.15Å; F61-E125 WeakPolarHBondContact CE2-OE2 3.4Å; L101-E125 HydrophobicContact CB-CB 4.46Å; L101-E125 WeakPolarHBondContact CB-O 3.44Å; L101-E125 HydrophobicContact CD1-CB 4.05Å; L101-E125 PolarHBondContact N-O 3.09Å
126	L	91.8	Very high	77.9	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	145	179.1	-55.5	-173.8	0	0	0	110.7	I58 R59 V60 F61 L78 V98 F99 R100 L112 L121 E124	I58-L126 HydrophobicContact CG2-CB 4.48Å; I58-L126 HydrophobicContact CG2-CD1 3.67Å; I58-L126 HydrophobicContact CG2-CG 3.63Å; R59-L126 PolarHBondContact O-N 3.48Å; V60-L126 CarbonylContact C-O 3.59Å; V60-L126 WeakPolarHBondContact CA-O 3.42Å; V60-L126 HydrophobicContact CG1-CB 4.48Å; V60-L126 HydrophobicContact CG2-CB 4.48Å; F61-L126 PolarHBondContact N-O 2.65Å; L78-L126 HydrophobicContact CD1-CD1 3.74Å; V98-L126 HydrophobicContact CG1-CB 4.08Å; V98-L126 HydrophobicContact CG1-CD1 3.94Å; V98-L126 HydrophobicContact CG1-CG 4.49Å; F99-L126 CarbonylContact O-C 3.53Å; F99-L126 VanDerWaalsContact O-CA 3.26Å; F99-L126 WeakPolarHBondContact O-CA 3.48Å; R100-L126 HydrophobicContact CB-CD2 4.17Å; R100-L126 HydrophobicContact CG-CD2 4.29Å; L112-L126 HydrophobicContact CD1-CD1 4.28Å; L112-L126 HydrophobicContact CD1-CD2 3.62Å; L121-L126 HydrophobicContact CD1-CD1 4.2Å; E124-L126 HydrophobicContact CB-CD2 4.38Å
127	Q	88.8	Confident	76.5	Confident	51 Å²	51	50 Å²	50	24%	0.238	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.3	167.8	179.9	164.4	-6	0	0	109.5	F61 F99 L101 K109 D129	F61-Q127 HydrophobicContact CB-CB 4.46Å; F61-Q127 HydrophobicContact CB-CG 4.48Å; F99-Q127 PolarHBondContact N-O 3.16Å; F99-Q127 PolarHBondContact O-N 2.97Å; L101-Q127 HydrophobicContact CD1-CB 4.23Å; L101-Q127 HydrophobicContact CD2-CB 4.24Å; L101-Q127 HydrophobicContact CG-CB 4.23Å; K109-Q127 VanDerWaalsContact NZ-OE1 3.09Å; Q127-D129 WeakPolarHBondContact CG-OD2 3.37Å; Q127-D129 VanDerWaalsContact NE2-CG 3.31Å; Q127-D129 PolarHBondContact NE2-OD1 2.74Å; Q127-D129 PolarHBondContact NE2-OD2 2.9Å; Q127-D129 VanDerWaalsContact NE2-OD2 3.09Å
128	V	85	Confident	75.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	112.1	167.4	-174.1	0	0	0	0	107.7	V60 F61 L62 P63 L82 L86 C96 A97 V98	V60-V128 HydrophobicContact CG1-CG2 3.72Å; F61-V128 PolarHBondContact O-N 3.48Å; L62-V128 HydrophobicContact CD2-CB 3.85Å; L62-V128 HydrophobicContact CD2-CG2 3.67Å; P63-V128 VanDerWaalsContact CD-O 3.24Å; P63-V128 WeakPolarHBondContact CD-O 3.28Å; P63-V128 WeakPolarHBondContact CG-O 3.24Å; L82-V128 HydrophobicContact CD1-CG2 4.15Å; L86-V128 HydrophobicContact CD2-CG1 4.14Å; C96-V128 HydrophobicContact CB-CG1 3.63Å; A97-V128 WeakPolarHBondContact O-CA 3.2Å; V98-V128 HydrophobicContact CG1-CG2 4.28Å; V98-V128 HydrophobicContact CG2-CG2 4.29Å
129	D	78.9	Confident	74.7	Confident	43 Å²	43	50.4 Å²	50.4	23%	0.23	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	170.8	169.1	-66.8	-46.4	0	0	0	109.7	C96 A97 F99 K109 Q127	C96-D129 CarbonylContact C-O 3.48Å; C96-D129 WeakPolarHBondContact CA-O 3.34Å; A97-D129 PolarHBondContact N-O 3.23Å; A97-D129 PolarHBondContact O-N 3.09Å; F99-D129 HydrophobicContact CD2-CB 4.32Å; F99-D129 HydrophobicContact CE2-CB 3.97Å; K109-D129 IonicContact NZ-OD2 2.9Å; K109-D129 PolarHBondContact NZ-OD2 3.21Å; Q127-D129 WeakPolarHBondContact CG-OD2 3.37Å; Q127-D129 VanDerWaalsContact NE2-CG 3.31Å; Q127-D129 PolarHBondContact NE2-OD1 2.74Å; Q127-D129 PolarHBondContact NE2-OD2 2.9Å; Q127-D129 VanDerWaalsContact NE2-OD2 3.09Å
130	F	71	Confident	74.3	Confident	46 Å²	46	49.7 Å²	49.7	20%	0.202	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	155.5	172.7	-66.8	-65.8	0	0	0	111.4	P63 L91 L136 M183	P63-F130 HydrophobicContact CB-CD2 4.07Å; P63-F130 HydrophobicContact CB-CE2 3.34Å; P63-F130 HydrophobicContact CB-CZ 3.65Å; P63-F130 HydrophobicContact CG-CD2 4.11Å; P63-F130 HydrophobicContact CG-CE1 4.18Å; P63-F130 HydrophobicContact CG-CE2 3.66Å; P63-F130 HydrophobicContact CG-CZ 3.69Å; L91-F130 HydrophobicContact CD2-CE1 3.69Å; L91-F130 HydrophobicContact CD2-CZ 3.74Å; F130-L136 HydrophobicContact CB-CD1 3.42Å; F130-L136 VanDerWaalsContact CB-CD1 3.42Å; F130-L136 HydrophobicContact CD1-CD1 3.19Å; F130-L136 HydrophobicContact CD2-CD1 3.68Å; F130-L136 HydrophobicContact CE1-CD1 3.71Å; F130-L136 HydrophobicContact CE2-CD1 4.16Å; F130-L136 HydrophobicContact CG-CD1 3.15Å; F130-L136 HydrophobicContact CZ-CD1 4.18Å; F130-M183 HydrophobicContact CD2-CE 4.48Å; F130-M183 HydrophobicContact CE1-CE 4.39Å; F130-M183 HydrophobicContact CE1-CG 4.29Å; F130-M183 HydrophobicContact CE1-SD 4.46Å; F130-M183 HydrophobicContact CE2-CE 3.58Å; F130-M183 HydrophobicContact CE2-SD 4.03Å; F130-M183 HydrophobicContact CZ-CE 3.54Å; F130-M183 HydrophobicContact CZ-CG 3.9Å; F130-M183 HydrophobicContact CZ-SD 3.52Å; F130-M183 VanDerWaalsContact CZ-SD 3.52Å
131	L	67.7	Low	74.3	Confident	21 Å²	21	47.9 Å²	47.9	11%	0.11	26%	0.263	C	S	.	.			trans	-72.9	130.9	169.8	-66	168.6	0	0	0	109.9	E94 C95 A97 H133 V134 L193	E94-L131 WeakPolarHBondContact O-CD1 3.38Å; C95-L131 PolarHBondContact O-N 3.31Å; C95-L131 VanDerWaalsContact O-N 3.13Å; A97-L131 HydrophobicContact CB-CD2 3.78Å; L131-H133 PolarHBondContact O-N 2.94Å; L131-V134 HydrophobicContact CB-CG2 4.06Å; L131-V134 PolarHBondContact O-N 2.95Å; L131-L193 HydrophobicContact CD1-CD1 3.67Å; L131-L193 HydrophobicContact CD1-CD2 4.39Å
132	D	54.5	Low	74.2	Confident	159 Å²	159	49 Å²	49	85%	0.85	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.5	-173.8	-55.8	-59.8	0	0	0	114.1
133	H	53.8	Low	74.4	Confident	161 Å²	161	52.1 Å²	52.1	75%	0.745	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.8	-180	-51.4	-37.6	0	0	0	114.2	L131 P135	L131-H133 PolarHBondContact O-N 2.94Å; H133-P135 WeakPolarHBondContact O-CD 3.42Å
134	V	51.8	Low	74.7	Confident	11 Å²	11	53.1 Å²	53.1	7%	0.067	27%	0.268	C	S	.	.	S	Bend	trans	-96.2	109.7	175.4	-163.3	0	0	0	0	108.4	L131 L136 L193	L131-V134 HydrophobicContact CB-CG2 4.06Å; L131-V134 PolarHBondContact O-N 2.95Å; V134-L136 VanDerWaalsContact C-N 3.26Å; V134-L136 HydrophobicContact CB-CD1 3.91Å; V134-L136 HydrophobicContact CB-CG 3.92Å; V134-L136 HydrophobicContact CG1-CD1 3.99Å; V134-L136 HydrophobicContact CG1-CD2 3.8Å; V134-L136 HydrophobicContact CG1-CG 3.61Å; V134-L136 WeakPolarHBondContact O-CG 3.31Å; V134-L136 PolarHBondContact O-N 3.08Å; V134-L193 HydrophobicContact CG2-CD1 4.45Å
135	P	49.9	Very low	74.9	Confident	64 Å²	64	53.8 Å²	53.8	42%	0.416	28%	0.277	S	S	.	.			trans	-73.6	83.2	179.6	29.6	-34.3	0	0	0	110.3	H133 T137 N189	H133-P135 WeakPolarHBondContact O-CD 3.42Å; P135-T137 PolarHBondContact O-N 3.12Å; P135-N189 WeakPolarHBondContact CD-ND2 3.37Å; P135-N189 WeakPolarHBondContact CG-ND2 3.34Å
136	L	53	Low	74.8	Confident	40 Å²	40	51.7 Å²	51.7	21%	0.209	27%	0.267	C	S	.	.			trans	-90.8	93.6	-173.2	-73.4	164.1	0	0	0	110.7	F130 V134 M183 V185	F130-L136 HydrophobicContact CB-CD1 3.42Å; F130-L136 VanDerWaalsContact CB-CD1 3.42Å; F130-L136 HydrophobicContact CD1-CD1 3.19Å; F130-L136 HydrophobicContact CD2-CD1 3.68Å; F130-L136 HydrophobicContact CE1-CD1 3.71Å; F130-L136 HydrophobicContact CE2-CD1 4.16Å; F130-L136 HydrophobicContact CG-CD1 3.15Å; F130-L136 HydrophobicContact CZ-CD1 4.18Å; V134-L136 VanDerWaalsContact C-N 3.26Å; V134-L136 HydrophobicContact CB-CD1 3.91Å; V134-L136 HydrophobicContact CB-CG 3.92Å; V134-L136 HydrophobicContact CG1-CD1 3.99Å; V134-L136 HydrophobicContact CG1-CD2 3.8Å; V134-L136 HydrophobicContact CG1-CG 3.61Å; V134-L136 WeakPolarHBondContact O-CG 3.31Å; V134-L136 PolarHBondContact O-N 3.08Å; L136-M183 HydrophobicContact CB-CE 3.74Å; L136-M183 HydrophobicContact CD1-CE 4.4Å; L136-M183 HydrophobicContact CD2-CB 4.04Å; L136-M183 HydrophobicContact CD2-CE 3.96Å; L136-M183 HydrophobicContact CD2-CG 4.26Å; L136-M183 HydrophobicContact CG-CE 4.25Å; L136-V185 HydrophobicContact CD2-CG1 4.07Å
137	T	59.9	Low	74.6	Confident	59 Å²	59	57.9 Å²	57.9	36%	0.362	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	141.5	163.9	56.7	0	0	0	0	110.2	P135 C184	P135-T137 PolarHBondContact O-N 3.12Å; T137-C184 WeakPolarHBondContact O-CA 3.05Å; T137-C184 VanDerWaalsContact O-CB 3.25Å; T137-C184 WeakPolarHBondContact O-CB 3.17Å; T137-C184 PolarHBondContact O-N 2.66Å; T137-C184 WeakPolarHBondContact OG1-CB 3.24Å; T137-C184 PolarHBondContact OG1-O 3.43Å; T137-C184 VanDerWaalsContact OG1-O 3.11Å
138	T	67.8	Low	74.5	Confident	65 Å²	65	60.6 Å²	60.6	40%	0.399	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	155.4	160.3	57.4	0	0	0	0	109.3	N140	T138-N140 PolarHBondContact O-N 3.11Å
139	H	74.5	Confident	74.7	Confident	13 Å²	13	64.1 Å²	64.1	6%	0.06	33%	0.329	C	S	.	.			trans	-70.7	113.6	174.2	-78.5	-77	0	0	0	111.3	F141 C165 C168 P181 M183 C184	H139-F141 VanDerWaalsContact C-N 3.3Å; H139-F141 HydrophobicContact CB-CD1 4.01Å; H139-F141 HydrophobicContact CB-CD2 3.64Å; H139-F141 HydrophobicContact CB-CE1 3.61Å; H139-F141 HydrophobicContact CB-CE2 3.22Å; H139-F141 HydrophobicContact CB-CG 4.02Å; H139-F141 HydrophobicContact CB-CZ 3.18Å; H139-F141 AromaticContact CD2-CE2 3.93Å; H139-F141 AromaticContact CD2-CZ 3.45Å; H139-F141 VanDerWaalsContact CD2-CZ 3.45Å; H139-F141 WeakPolarHBondContact CD2-CZ 3.32Å; H139-F141 AromaticContact CG-CE1 3.66Å; H139-F141 AromaticContact CG-CE2 3.69Å; H139-F141 AromaticContact CG-CZ 3.17Å; H139-F141 AromaticContact ND1-CE1 3.66Å; H139-F141 AromaticContact ND1-CZ 3.59Å; H139-F141 AromaticContact NE2-CZ 3.98Å; H139-F141 PolarHBondContact O-N 2.85Å; H139-C165 PolarHBondContact ND1-SG 3.31Å; H139-C165 VanDerWaalsContact ND1-SG 3.39Å; H139-C168 PolarHBondContact CE1-SG 2.91Å; H139-C168 PolarHBondContact ND1-SG 3.38Å; H139-P181 PolarHBondContact CD2-O 3.15Å; H139-P181 PolarHBondContact NE2-O 2.8Å; H139-M183 PolarHBondContact NE2-O 3.13Å; H139-M183 VanDerWaalsContact NE2-O 3.13Å; H139-C184 HydrophobicContact CB-CB 4.28Å; H139-C184 WeakPolarHBondContact ND1-CB 3.06Å
140	N	81.5	Confident	75.3	Confident	12 Å²	12	62.1 Å²	62.1	6%	0.064	32%	0.318	C	S	.	.			trans	-73.6	85.1	163.9	-178.6	-1.7	0	0	0	110.1	T138 C165 Q166 P643 S644	T138-N140 PolarHBondContact O-N 3.11Å; N140-C165 CarbonylContact O-C 3.34Å; N140-C165 VanDerWaalsContact O-CA 3.24Å; N140-C165 WeakPolarHBondContact O-CA 3.45Å; N140-Q166 HydrophobicContact CB-CB 4.46Å; N140-Q166 PolarHBondContact ND2-OE1 3.26Å; N140-Q166 PolarHBondContact O-N 3.38Å; N140-P643 WeakPolarHBondContact ND2-CB 3.35Å; N140-S644 VanDerWaalsContact CG-O 3.26Å; N140-S644 PolarHBondContact ND2-N 3.47Å; N140-S644 PolarHBondContact ND2-O 3.11Å; N140-S644 PolarHBondContact OD1-O 2.88Å; N140-S644 VanDerWaalsContact OD1-O 3.09Å
141	F	87.9	Confident	76.3	Confident	31 Å²	31	61.2 Å²	61.2	14%	0.136	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.8	176	-66	-52.5	0	0	0	112.1	H139 C165 F172 V180 A648	H139-F141 VanDerWaalsContact C-N 3.3Å; H139-F141 HydrophobicContact CB-CD1 4.01Å; H139-F141 HydrophobicContact CB-CD2 3.64Å; H139-F141 HydrophobicContact CB-CE1 3.61Å; H139-F141 HydrophobicContact CB-CE2 3.22Å; H139-F141 HydrophobicContact CB-CG 4.02Å; H139-F141 HydrophobicContact CB-CZ 3.18Å; H139-F141 AromaticContact CD2-CE2 3.93Å; H139-F141 AromaticContact CD2-CZ 3.45Å; H139-F141 VanDerWaalsContact CD2-CZ 3.45Å; H139-F141 WeakPolarHBondContact CD2-CZ 3.32Å; H139-F141 AromaticContact CG-CE1 3.66Å; H139-F141 AromaticContact CG-CE2 3.69Å; H139-F141 AromaticContact CG-CZ 3.17Å; H139-F141 AromaticContact ND1-CE1 3.66Å; H139-F141 AromaticContact ND1-CZ 3.59Å; H139-F141 AromaticContact NE2-CZ 3.98Å; H139-F141 PolarHBondContact O-N 2.85Å; F141-C165 HydrophobicContact CD1-CB 3.75Å; F141-C165 HydrophobicContact CE1-CB 3.67Å; F141-F172 AromaticContact CD1-CE1 3.62Å; F141-F172 HydrophobicContact CD1-CE1 3.62Å; F141-F172 HydrophobicContact CD1-CZ 4.34Å; F141-F172 HydrophobicContact CD2-CE1 4.23Å; F141-F172 HydrophobicContact CD2-CZ 4.26Å; F141-F172 HydrophobicContact CE1-CD1 4.24Å; F141-F172 AromaticContact CE1-CE1 3.48Å; F141-F172 HydrophobicContact CE1-CE1 3.48Å; F141-F172 VanDerWaalsContact CE1-CE1 3.48Å; F141-F172 HydrophobicContact CE1-CZ 4.4Å; F141-F172 HydrophobicContact CE2-CE1 4.09Å; F141-F172 HydrophobicContact CE2-CZ 4.29Å; F141-F172 HydrophobicContact CG-CE1 4.01Å; F141-F172 HydrophobicContact CG-CZ 4.29Å; F141-F172 AromaticContact CZ-CE1 3.73Å; F141-F172 HydrophobicContact CZ-CE1 3.73Å; F141-F172 HydrophobicContact CZ-CZ 4.37Å; F141-V180 HydrophobicContact CE1-CG1 4.35Å; F141-V180 HydrophobicContact CE2-CG1 3.81Å; F141-V180 HydrophobicContact CZ-CG1 3.36Å; F141-A648 HydrophobicContact CB-CB 4.25Å
142	A	87.7	Confident	77.5	Confident	25 Å²	25	60.2 Å²	60.2	21%	0.207	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.1	167.5	0	0	0	0	0	110.4	F163 R164 Q166	A142-F163 WeakPolarHBondContact O-CA 3.33Å; A142-R164 PolarHBondContact N-O 3.44Å; A142-R164 PolarHBondContact O-N 3.32Å; A142-Q166 HydrophobicContact CB-CG 4.32Å
143	R	92.8	Very high	79.1	Confident	122 Å²	122	53.7 Å²	53.7	46%	0.46	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	134.7	170	-166.6	-178.6	-73.2	-91.8	4.3	108.6	G162 F163 E174	R143-G162 CarbonylContact C-O 3.59Å; R143-G162 WeakPolarHBondContact CA-O 3.36Å; R143-F163 HydrophobicContact CB-CD1 4.27Å; R143-F163 HydrophobicContact CB-CE1 4.12Å; R143-F163 HydrophobicContact CG-CE1 4.49Å; R143-E174 IonicContact CZ-OE1 3.19Å; R143-E174 IonicContact CZ-OE2 3.69Å; R143-E174 VanDerWaalsContact NH1-CD 3.3Å; R143-E174 IonicContact NH1-OE1 3.74Å; R143-E174 PolarHBondContact NH1-OE1 2.89Å; R143-E174 IonicContact NH1-OE2 2.82Å; R143-E174 PolarHBondContact NH1-OE2 3.42Å; R143-E174 IonicContact NH2-OE1 3.33Å; R143-E174 PolarHBondContact NH2-OE1 2.98Å; R143-E174 IonicContact NH2-OE2 3.85Å
144	K	90.4	Very high	80.8	Confident	82 Å²	82	48 Å²	48	36%	0.357	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	135.2	-174.4	-179	169.5	-179.5	176.5	0	111.6	F146 G162 R164	K144-F146 HydrophobicContact CB-CE2 4.22Å; K144-F146 HydrophobicContact CB-CZ 4.38Å; K144-F146 HydrophobicContact CD-CD1 4.29Å; K144-F146 HydrophobicContact CD-CE1 3.92Å; K144-F146 HydrophobicContact CD-CZ 4.08Å; K144-F146 HydrophobicContact CG-CD2 4.41Å; K144-F146 HydrophobicContact CG-CE1 4.42Å; K144-F146 HydrophobicContact CG-CE2 4.24Å; K144-F146 HydrophobicContact CG-CZ 4.27Å; K144-G162 PolarHBondContact N-O 3.31Å; K144-G162 PolarHBondContact O-N 2.88Å; K144-G162 VanDerWaalsContact O-N 3.15Å; K144-R164 HydrophobicContact CB-CB 4.43Å; K144-R164 HydrophobicContact CD-CB 4.27Å
145	T	92.7	Very high	82.6	Confident	76 Å²	76	49.6 Å²	49.6	47%	0.466	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.1	161.6	-58.7	0	0	0	0	109.5	L147 L160 N161	T145-L147 HydrophobicContact CG2-CD2 4.2Å; T145-L160 CarbonylContact C-O 3.6Å; T145-L160 WeakPolarHBondContact CA-O 3.32Å; T145-L160 HydrophobicContact CG2-CD1 4.39Å; T145-N161 WeakPolarHBondContact CB-OD1 3.44Å; T145-N161 VanDerWaalsContact CG2-OD1 3.32Å; T145-N161 WeakPolarHBondContact CG2-OD1 3.44Å; T145-N161 PolarHBondContact OG1-OD1 3.06Å
146	F	90	Very high	84.5	Confident	5 Å²	5	49.4 Å²	49.4	2%	0.022	25%	0.253	C	S	.	.			trans	-100.2	99.4	-179.1	-64.9	-94	0	0	0	109.5	K144 K148 A150 L159 L160 R164 K171 L628	K144-F146 HydrophobicContact CB-CE2 4.22Å; K144-F146 HydrophobicContact CB-CZ 4.38Å; K144-F146 HydrophobicContact CD-CD1 4.29Å; K144-F146 HydrophobicContact CD-CE1 3.92Å; K144-F146 HydrophobicContact CD-CZ 4.08Å; K144-F146 HydrophobicContact CG-CD2 4.41Å; K144-F146 HydrophobicContact CG-CE1 4.42Å; K144-F146 HydrophobicContact CG-CE2 4.24Å; K144-F146 HydrophobicContact CG-CZ 4.27Å; F146-K148 PolarHBondContact O-N 3.24Å; F146-A150 HydrophobicContact CB-CB 3.85Å; F146-A150 HydrophobicContact CD1-CB 3.64Å; F146-A150 HydrophobicContact CE1-CB 4.3Å; F146-A150 HydrophobicContact CG-CB 3.78Å; F146-L159 WeakPolarHBondContact CB-O 3.43Å; F146-L159 HydrophobicContact CD2-CD2 4.18Å; F146-L159 HydrophobicContact CD2-CG 3.99Å; F146-L159 HydrophobicContact CE2-CD2 3.61Å; F146-L159 HydrophobicContact CE2-CG 3.88Å; F146-L159 HydrophobicContact CZ-CD2 4Å; F146-L160 PolarHBondContact N-O 2.99Å; F146-R164 HydrophobicContact CZ-CB 4.03Å; F146-K171 HydrophobicContact CE1-CD 3.82Å; F146-K171 HydrophobicContact CE1-CG 4.4Å; F146-K171 HydrophobicContact CZ-CB 4.17Å; F146-K171 HydrophobicContact CZ-CD 4.13Å; F146-K171 HydrophobicContact CZ-CG 4.26Å; F146-L628 HydrophobicContact CE1-CD2 4.41Å
147	L	88	Confident	86.3	Confident	129 Å²	129	54.5 Å²	54.5	68%	0.675	27%	0.273	S	S	*	.	S	Bend	trans	-72.7	-13.7	177.7	-58.1	178.6	0	0	0	113.6	T145 N262	T145-L147 HydrophobicContact CG2-CD2 4.2Å; L147-N262 PolarHBondContact O-ND2 3.22Å
148	K	85.7	Confident	87.9	Confident	108 Å²	108	53.8 Å²	53.8	47%	0.47	27%	0.265	S	S	.	.	S	Bend	trans	-112.3	156.7	172.5	-66.6	-167.2	171.4	-164.5	0	109.3	F146 A150 H631	F146-K148 PolarHBondContact O-N 3.24Å; K148-A150 PolarHBondContact O-N 2.77Å; K148-H631 PolarHBondContact NZ-CD2 2.57Å; K148-H631 PolarHBondContact NZ-CE1 2.93Å; K148-H631 PolarHBondContact NZ-NE2 2.85Å
149	L	89	Confident	89	Confident	75 Å²	75	50.7 Å²	50.7	39%	0.393	25%	0.246	S	C	.	.			trans	-49.3	123.7	178	-175.4	65.2	0	0	0	110.9	F151 F158 P261 S624	L149-F151 HydrophobicContact CD1-CE2 4.15Å; L149-F151 HydrophobicContact CD1-CZ 4.03Å; L149-F151 HydrophobicContact CD2-CE2 4Å; L149-F151 HydrophobicContact CD2-CZ 4.22Å; L149-F151 HydrophobicContact CG-CE2 3.84Å; L149-F151 HydrophobicContact CG-CZ 4.18Å; L149-F158 HydrophobicContact CD1-CD2 3.75Å; L149-F158 HydrophobicContact CD1-CE2 3.86Å; L149-P261 HydrophobicContact CD1-CB 4.34Å; L149-S624 PolarHBondContact O-OG 2.94Å
150	A	91.5	Very high	89.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.258	C	S	.	.			trans	-145.2	150.3	178.4	0	0	0	0	0	109.6	F146 K148 F158 L159	F146-A150 HydrophobicContact CB-CB 3.85Å; F146-A150 HydrophobicContact CD1-CB 3.64Å; F146-A150 HydrophobicContact CE1-CB 4.3Å; F146-A150 HydrophobicContact CG-CB 3.78Å; K148-A150 PolarHBondContact O-N 2.77Å; A150-F158 WeakPolarHBondContact O-CD2 3.26Å; A150-L159 PolarHBondContact O-N 2.98Å
151	F	92.5	Very high	90.4	Very high	28 Å²	28	56 Å²	56	12%	0.123	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-120	153.1	177	-61.8	-90.8	0	0	0	110.5	L149 Q156 K157 K171 Q621	L149-F151 HydrophobicContact CD1-CE2 4.15Å; L149-F151 HydrophobicContact CD1-CZ 4.03Å; L149-F151 HydrophobicContact CD2-CE2 4Å; L149-F151 HydrophobicContact CD2-CZ 4.22Å; L149-F151 HydrophobicContact CG-CE2 3.84Å; L149-F151 HydrophobicContact CG-CZ 4.18Å; F151-Q156 WeakPolarHBondContact CD1-O 3.37Å; F151-K157 CarbonylContact C-O 3.47Å; F151-K157 WeakPolarHBondContact CA-O 3.19Å; F151-K171 WeakPolarHBondContact O-CE 3.09Å; F151-K171 PolarHBondContact O-NZ 3.4Å; F151-Q621 HydrophobicContact CB-CB 4.45Å; F151-Q621 HydrophobicContact CB-CG 3.84Å; F151-Q621 HydrophobicContact CD1-CG 3.83Å; F151-Q621 HydrophobicContact CD2-CB 4.19Å; F151-Q621 HydrophobicContact CD2-CG 3.83Å; F151-Q621 HydrophobicContact CE1-CG 4.33Å; F151-Q621 HydrophobicContact CE2-CG 4.33Å; F151-Q621 HydrophobicContact CG-CB 4.31Å; F151-Q621 HydrophobicContact CG-CG 3.55Å
152	C	92.6	Very high	90.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.27	C	S	.	.			trans	-78.4	129	172.1	167.7	0	0	0	0	110.3	I154 C155 Q156 K157 L159 F172 H173	C152-I154 PolarHBondContact O-N 2.7Å; C152-I154 PolarHBondContact SG-N 3.04Å; C152-I154 VanDerWaalsContact SG-N 3.43Å; C152-C155 VanDerWaalsContact SG-SG 3.7Å; C152-Q156 WeakPolarHBondContact O-CA 3.18Å; C152-Q156 PolarHBondContact O-N 3.21Å; C152-K157 PolarHBondContact N-O 3.29Å; C152-L159 HydrophobicContact CB-CB 4.43Å; C152-L159 HydrophobicContact CB-CD2 4.48Å; C152-F172 VanDerWaalsContact SG-CA 3.58Å; C152-H173 WeakPolarHBondContact CB-CE1 3.19Å; C152-H173 WeakPolarHBondContact CB-ND1 3.34Å
153	D	88.9	Confident	90.9	Very high	22 Å²	22	54.3 Å²	54.3	12%	0.118	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	7.2	-175.6	-56.4	-23.1	0	0	0	113.6	Y170 K171 R603	D153-Y170 HydrophobicContact CB-CD2 4.3Å; D153-Y170 HydrophobicContact CB-CE1 4.26Å; D153-Y170 HydrophobicContact CB-CE2 3.9Å; D153-Y170 PolarHBondContact O-OH 3.04Å; D153-Y170 WeakPolarHBondContact OD2-CA 3.45Å; D153-K171 WeakPolarHBondContact CB-O 3.39Å; D153-K171 PolarHBondContact N-O 2.87Å; D153-K171 IonicContact OD1-NZ 2.65Å; D153-K171 PolarHBondContact OD1-NZ 3.43Å; D153-K171 PolarHBondContact OD2-N 3.16Å; D153-K171 IonicContact OD2-NZ 2.69Å; D153-R603 VanDerWaalsContact CG-NH1 3.3Å; D153-R603 IonicContact OD2-CZ 3.2Å; D153-R603 VanDerWaalsContact OD2-CZ 3.23Å; D153-R603 IonicContact OD2-NH1 3.74Å; D153-R603 PolarHBondContact OD2-NH1 3.43Å; D153-R603 IonicContact OD2-NH2 3.39Å; D153-R603 PolarHBondContact OD2-NH2 2.94Å
154	I	88.4	Confident	90.8	Very high	41 Å²	41	51 Å²	51	21%	0.21	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-59.8	179.3	-64.3	174.2	0	0	0	110.2	C152 Y170 F172 C176 K179 V180	C152-I154 PolarHBondContact O-N 2.7Å; C152-I154 PolarHBondContact SG-N 3.04Å; C152-I154 VanDerWaalsContact SG-N 3.43Å; I154-Y170 HydrophobicContact CD1-CE1 4.19Å; I154-Y170 HydrophobicContact CG1-CE1 4.13Å; I154-Y170 WeakPolarHBondContact CG1-OH 3.45Å; I154-F172 HydrophobicContact CD1-CB 3.9Å; I154-F172 HydrophobicContact CD1-CG 4.48Å; I154-C176 HydrophobicContact CB-CB 4.24Å; I154-C176 HydrophobicContact CD1-CB 4.05Å; I154-C176 VanDerWaalsContact CD1-O 3.24Å; I154-C176 WeakPolarHBondContact CD1-O 3.33Å; I154-C176 HydrophobicContact CG2-CB 4.2Å; I154-K179 HydrophobicContact CD1-CB 4.16Å; I154-K179 HydrophobicContact CG2-CB 3.7Å; I154-K179 HydrophobicContact CG2-CD 3.93Å; I154-K179 HydrophobicContact CG2-CG 4.44Å; I154-V180 HydrophobicContact CD1-CB 4.24Å; I154-V180 HydrophobicContact CD1-CG2 3.46Å; I154-V180 VanDerWaalsContact CD1-CG2 3.46Å
155	C	89.9	Confident	90.5	Very high	44 Å²	44	47.1 Å²	47.1	30%	0.297	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.1	-177.1	72.1	0	0	0	0	113.7	C152 K157 H173	C152-C155 VanDerWaalsContact SG-SG 3.7Å; C155-K157 PolarHBondContact O-N 2.84Å; C155-H173 VanDerWaalsContact SG-CE1 3.52Å; C155-H173 PolarHBondContact SG-ND1 2.83Å; C155-H173 VanDerWaalsContact SG-ND1 3.4Å
156	Q	89.3	Confident	90	Very high	61 Å²	61	47.2 Å²	47.2	29%	0.285	23%	0.229	S	C	.	.			trans	58.6	12.5	-178.9	-56.9	-62.2	-19.9	0	0	115.5	F151 C152 Q621	F151-Q156 WeakPolarHBondContact CD1-O 3.37Å; C152-Q156 WeakPolarHBondContact O-CA 3.18Å; C152-Q156 PolarHBondContact O-N 3.21Å; Q156-Q621 PolarHBondContact O-NE2 3.47Å; Q156-Q621 VanDerWaalsContact O-NE2 3.1Å
157	K	91.7	Very high	89.2	Confident	147 Å²	147	49.5 Å²	49.5	64%	0.639	24%	0.244	S	C	*	.	S	Bend	trans	-89.9	160.3	175.5	-57.7	-176.4	-177.9	-177.1	0	112.2	F151 C152 C155	F151-K157 CarbonylContact C-O 3.47Å; F151-K157 WeakPolarHBondContact CA-O 3.19Å; C152-K157 PolarHBondContact N-O 3.29Å; C155-K157 PolarHBondContact O-N 2.84Å
158	F	92.5	Very high	88.6	Confident	44 Å²	44	43.9 Å²	43.9	19%	0.193	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-53.5	134.3	178.1	176.3	-113.3	0	0	0	113.1	L149 A150 L160 H173 P261	L149-F158 HydrophobicContact CD1-CD2 3.75Å; L149-F158 HydrophobicContact CD1-CE2 3.86Å; A150-F158 WeakPolarHBondContact O-CD2 3.26Å; F158-L160 HydrophobicContact CE1-CB 3.84Å; F158-L160 HydrophobicContact CZ-CB 4.16Å; F158-H173 PolarHBondContact O-CE1 2.94Å; F158-H173 PolarHBondContact O-NE2 3.37Å; F158-P261 HydrophobicContact CE2-CB 4.06Å; F158-P261 HydrophobicContact CZ-CB 4.16Å
159	L	92.1	Very high	88.5	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.			trans	-123.8	93.2	-173.1	179.7	66.4	0	0	0	110.7	F146 A150 C152 N161 K171 H173	F146-L159 WeakPolarHBondContact CB-O 3.43Å; F146-L159 HydrophobicContact CD2-CD2 4.18Å; F146-L159 HydrophobicContact CD2-CG 3.99Å; F146-L159 HydrophobicContact CE2-CD2 3.61Å; F146-L159 HydrophobicContact CE2-CG 3.88Å; F146-L159 HydrophobicContact CZ-CD2 4Å; A150-L159 PolarHBondContact O-N 2.98Å; C152-L159 HydrophobicContact CB-CB 4.43Å; C152-L159 HydrophobicContact CB-CD2 4.48Å; L159-N161 WeakPolarHBondContact CD1-O 3.38Å; L159-K171 HydrophobicContact CD2-CB 3.63Å; L159-H173 HydrophobicContact CD1-CB 4.23Å; L159-H173 WeakPolarHBondContact CD1-CD2 3.45Å
160	L	92.7	Very high	88.3	Confident	58 Å²	58	36.7 Å²	36.7	30%	0.304	18%	0.181	S	C	.	.	S	Bend	trans	-79.8	-50.6	172.3	179.8	61.9	0	0	0	111.9	T145 F146 F158	T145-L160 CarbonylContact C-O 3.6Å; T145-L160 WeakPolarHBondContact CA-O 3.32Å; T145-L160 HydrophobicContact CG2-CD1 4.39Å; F146-L160 PolarHBondContact N-O 2.99Å; F158-L160 HydrophobicContact CE1-CB 3.84Å; F158-L160 HydrophobicContact CZ-CB 4.16Å
161	N	92.6	Very high	88.3	Confident	79 Å²	79	36.9 Å²	36.9	42%	0.422	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.3	179.4	-73.8	-27.8	0	0	0	109.9	T145 L159	T145-N161 WeakPolarHBondContact CB-OD1 3.44Å; T145-N161 VanDerWaalsContact CG2-OD1 3.32Å; T145-N161 WeakPolarHBondContact CG2-OD1 3.44Å; T145-N161 PolarHBondContact OG1-OD1 3.06Å; L159-N161 WeakPolarHBondContact CD1-O 3.38Å
162	G	92.9	Very high	88.3	Confident	2 Å²	2	36 Å²	36	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.5	-143.4	173.8	0	0	0	0	0	111.1	R143 K144 F172	R143-G162 CarbonylContact C-O 3.59Å; R143-G162 WeakPolarHBondContact CA-O 3.36Å; K144-G162 PolarHBondContact N-O 3.31Å; K144-G162 PolarHBondContact O-N 2.88Å; K144-G162 VanDerWaalsContact O-N 3.15Å; G162-F172 WeakPolarHBondContact CA-O 3.36Å
163	F	92.8	Very high	88.3	Confident	17 Å²	17	37.2 Å²	37.2	8%	0.075	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	148.9	-176.9	-62.6	-90.4	0	0	0	111	A142 R143 K171 F172 E174	A142-F163 WeakPolarHBondContact O-CA 3.33Å; R143-F163 HydrophobicContact CB-CD1 4.27Å; R143-F163 HydrophobicContact CB-CE1 4.12Å; R143-F163 HydrophobicContact CG-CE1 4.49Å; F163-K171 WeakPolarHBondContact O-CA 3.41Å; F163-F172 HydrophobicContact CB-CD1 4.04Å; F163-F172 HydrophobicContact CB-CE1 3.46Å; F163-F172 VanDerWaalsContact CB-CE1 3.46Å; F163-F172 HydrophobicContact CB-CE2 4Å; F163-F172 HydrophobicContact CB-CZ 3.43Å; F163-F172 VanDerWaalsContact CB-CZ 3.43Å; F163-F172 HydrophobicContact CD2-CD2 4.34Å; F163-F172 AromaticContact CD2-CE2 3.68Å; F163-F172 HydrophobicContact CD2-CE2 3.68Å; F163-F172 AromaticContact CD2-CZ 3.89Å; F163-F172 HydrophobicContact CD2-CZ 3.89Å; F163-F172 HydrophobicContact CG-CE1 4.31Å; F163-F172 HydrophobicContact CG-CE2 4.07Å; F163-F172 AromaticContact CG-CZ 3.77Å; F163-F172 HydrophobicContact CG-CZ 3.77Å; F163-F172 PolarHBondContact N-O 3.08Å; F163-F172 PolarHBondContact O-N 3Å; F163-F172 VanDerWaalsContact O-N 3.08Å; F163-E174 HydrophobicContact CE2-CB 3.93Å; F163-E174 HydrophobicContact CE2-CG 3.98Å
164	R	89.9	Confident	88.5	Confident	53 Å²	53	40.5 Å²	40.5	20%	0.2	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.4	170.2	-175.4	179	174.2	-82.3	4.9	110.2	A142 K144 F146 Q166 Y170 K171	A142-R164 PolarHBondContact N-O 3.44Å; A142-R164 PolarHBondContact O-N 3.32Å; K144-R164 HydrophobicContact CB-CB 4.43Å; K144-R164 HydrophobicContact CD-CB 4.27Å; F146-R164 HydrophobicContact CZ-CB 4.03Å; R164-Q166 PolarHBondContact O-N 3.42Å; R164-Y170 CarbonylContact C-O 3.48Å; R164-Y170 VanDerWaalsContact CA-O 3.27Å; R164-Y170 WeakPolarHBondContact CA-O 3.5Å; R164-K171 HydrophobicContact CG-CG 4.44Å
165	C	85.5	Confident	88.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	125.8	167.2	-173.5	0	0	0	0	109.7	H139 N140 F141 T167 C168 G169 Y170	H139-C165 PolarHBondContact ND1-SG 3.31Å; H139-C165 VanDerWaalsContact ND1-SG 3.39Å; N140-C165 CarbonylContact O-C 3.34Å; N140-C165 VanDerWaalsContact O-CA 3.24Å; N140-C165 WeakPolarHBondContact O-CA 3.45Å; F141-C165 HydrophobicContact CD1-CB 3.75Å; F141-C165 HydrophobicContact CE1-CB 3.67Å; C165-T167 VanDerWaalsContact C-N 3.29Å; C165-T167 PolarHBondContact O-N 3.18Å; C165-C168 VanDerWaalsContact CB-SG 3.56Å; C165-G169 WeakPolarHBondContact O-CA 3.24Å; C165-G169 PolarHBondContact O-N 3.2Å; C165-Y170 PolarHBondContact N-O 3.36Å
166	Q	80.8	Confident	88.7	Confident	79 Å²	79	41.9 Å²	41.9	37%	0.369	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-38.3	177.1	-61.6	-170.9	8.6	0	0	111.3	N140 A142 R164 S644	N140-Q166 HydrophobicContact CB-CB 4.46Å; N140-Q166 PolarHBondContact ND2-OE1 3.26Å; N140-Q166 PolarHBondContact O-N 3.38Å; A142-Q166 HydrophobicContact CB-CG 4.32Å; R164-Q166 PolarHBondContact O-N 3.42Å; Q166-S644 PolarHBondContact NE2-OG 2.85Å; Q166-S644 PolarHBondContact OE1-OG 2.84Å
167	T	74.2	Confident	88.6	Confident	53 Å²	53	41.8 Å²	41.8	33%	0.325	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-61	-174.8	-42.6	0	0	0	0	114.1	C165 K599	C165-T167 VanDerWaalsContact C-N 3.29Å; C165-T167 PolarHBondContact O-N 3.18Å; T167-K599 HydrophobicContact CG2-CD 4.43Å
168	C	75.9	Confident	88.2	Confident	10 Å²	10	40.8 Å²	40.8	7%	0.068	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-6.1	-177	64.8	0	0	0	0	114.2	H139 C165 Y170 C184	H139-C168 PolarHBondContact CE1-SG 2.91Å; H139-C168 PolarHBondContact ND1-SG 3.38Å; C165-C168 VanDerWaalsContact CB-SG 3.56Å; C168-Y170 VanDerWaalsContact C-N 3.28Å; C168-Y170 PolarHBondContact O-N 3.3Å; C168-C184 VanDerWaalsContact CB-SG 3.56Å
169	G	82.6	Confident	87.7	Confident	5 Å²	5	46 Å²	46	5%	0.052	24%	0.236	C	C	.	.			trans	74.7	7	-179.9	0	0	0	0	0	115.7	C165 K171	C165-G169 WeakPolarHBondContact O-CA 3.24Å; C165-G169 PolarHBondContact O-N 3.2Å; G169-K171 WeakPolarHBondContact O-CG 3.45Å
170	Y	85.8	Confident	87.1	Confident	27 Å²	27	47.1 Å²	47.1	11%	0.106	24%	0.242	C	C	.	.			trans	-56.8	132.7	177.8	-161.6	-89.3	0	0	0	112.1	D153 I154 R164 C165 C168 F172 V180 P181	D153-Y170 HydrophobicContact CB-CD2 4.3Å; D153-Y170 HydrophobicContact CB-CE1 4.26Å; D153-Y170 HydrophobicContact CB-CE2 3.9Å; D153-Y170 PolarHBondContact O-OH 3.04Å; D153-Y170 WeakPolarHBondContact OD2-CA 3.45Å; I154-Y170 HydrophobicContact CD1-CE1 4.19Å; I154-Y170 HydrophobicContact CG1-CE1 4.13Å; I154-Y170 WeakPolarHBondContact CG1-OH 3.45Å; R164-Y170 CarbonylContact C-O 3.48Å; R164-Y170 VanDerWaalsContact CA-O 3.27Å; R164-Y170 WeakPolarHBondContact CA-O 3.5Å; C165-Y170 PolarHBondContact N-O 3.36Å; C168-Y170 VanDerWaalsContact C-N 3.28Å; C168-Y170 PolarHBondContact O-N 3.3Å; Y170-F172 HydrophobicContact CD1-CD1 4.17Å; Y170-F172 HydrophobicContact CE1-CD1 4.45Å; Y170-V180 HydrophobicContact CD1-CG1 4.3Å; Y170-V180 HydrophobicContact CE1-CG1 4.1Å; Y170-P181 HydrophobicContact CE2-CG 4.49Å
171	K	91.2	Very high	86.3	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.017	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.7	-167.6	-38.4	-179.1	-54.8	-59.4	0	111.3	F146 F151 D153 L159 F163 R164 G169 L628	F146-K171 HydrophobicContact CE1-CD 3.82Å; F146-K171 HydrophobicContact CE1-CG 4.4Å; F146-K171 HydrophobicContact CZ-CB 4.17Å; F146-K171 HydrophobicContact CZ-CD 4.13Å; F146-K171 HydrophobicContact CZ-CG 4.26Å; F151-K171 WeakPolarHBondContact O-CE 3.09Å; F151-K171 PolarHBondContact O-NZ 3.4Å; D153-K171 WeakPolarHBondContact CB-O 3.39Å; D153-K171 PolarHBondContact N-O 2.87Å; D153-K171 IonicContact OD1-NZ 2.65Å; D153-K171 PolarHBondContact OD1-NZ 3.43Å; D153-K171 PolarHBondContact OD2-N 3.16Å; D153-K171 IonicContact OD2-NZ 2.69Å; L159-K171 HydrophobicContact CD2-CB 3.63Å; F163-K171 WeakPolarHBondContact O-CA 3.41Å; R164-K171 HydrophobicContact CG-CG 4.44Å; G169-K171 WeakPolarHBondContact O-CG 3.45Å; K171-L628 HydrophobicContact CD-CD2 3.68Å
172	F	92.6	Very high	85.2	Confident	10 Å²	10	44.8 Å²	44.8	4%	0.044	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	154.5	178.7	64.2	-77.9	0	0	0	114	F141 C152 I154 G162 F163 Y170 C176 V180	F141-F172 AromaticContact CD1-CE1 3.62Å; F141-F172 HydrophobicContact CD1-CE1 3.62Å; F141-F172 HydrophobicContact CD1-CZ 4.34Å; F141-F172 HydrophobicContact CD2-CE1 4.23Å; F141-F172 HydrophobicContact CD2-CZ 4.26Å; F141-F172 HydrophobicContact CE1-CD1 4.24Å; F141-F172 AromaticContact CE1-CE1 3.48Å; F141-F172 HydrophobicContact CE1-CE1 3.48Å; F141-F172 VanDerWaalsContact CE1-CE1 3.48Å; F141-F172 HydrophobicContact CE1-CZ 4.4Å; F141-F172 HydrophobicContact CE2-CE1 4.09Å; F141-F172 HydrophobicContact CE2-CZ 4.29Å; F141-F172 HydrophobicContact CG-CE1 4.01Å; F141-F172 HydrophobicContact CG-CZ 4.29Å; F141-F172 AromaticContact CZ-CE1 3.73Å; F141-F172 HydrophobicContact CZ-CE1 3.73Å; F141-F172 HydrophobicContact CZ-CZ 4.37Å; C152-F172 VanDerWaalsContact SG-CA 3.58Å; I154-F172 HydrophobicContact CD1-CB 3.9Å; I154-F172 HydrophobicContact CD1-CG 4.48Å; G162-F172 WeakPolarHBondContact CA-O 3.36Å; F163-F172 HydrophobicContact CB-CD1 4.04Å; F163-F172 HydrophobicContact CB-CE1 3.46Å; F163-F172 VanDerWaalsContact CB-CE1 3.46Å; F163-F172 HydrophobicContact CB-CE2 4Å; F163-F172 HydrophobicContact CB-CZ 3.43Å; F163-F172 VanDerWaalsContact CB-CZ 3.43Å; F163-F172 HydrophobicContact CD2-CD2 4.34Å; F163-F172 AromaticContact CD2-CE2 3.68Å; F163-F172 HydrophobicContact CD2-CE2 3.68Å; F163-F172 AromaticContact CD2-CZ 3.89Å; F163-F172 HydrophobicContact CD2-CZ 3.89Å; F163-F172 HydrophobicContact CG-CE1 4.31Å; F163-F172 HydrophobicContact CG-CE2 4.07Å; F163-F172 AromaticContact CG-CZ 3.77Å; F163-F172 HydrophobicContact CG-CZ 3.77Å; F163-F172 PolarHBondContact N-O 3.08Å; F163-F172 PolarHBondContact O-N 3Å; F163-F172 VanDerWaalsContact O-N 3.08Å; Y170-F172 HydrophobicContact CD1-CD1 4.17Å; Y170-F172 HydrophobicContact CE1-CD1 4.45Å; F172-C176 HydrophobicContact CB-CB 4.38Å; F172-V180 HydrophobicContact CB-CG2 4.2Å; F172-V180 HydrophobicContact CD1-CG1 4.41Å; F172-V180 HydrophobicContact CD1-CG2 3.7Å; F172-V180 HydrophobicContact CD2-CG2 3.39Å; F172-V180 HydrophobicContact CE1-CG1 4.2Å; F172-V180 HydrophobicContact CE1-CG2 3.84Å; F172-V180 HydrophobicContact CE2-CG2 3.6Å; F172-V180 HydrophobicContact CG-CG2 3.48Å; F172-V180 VanDerWaalsContact CG-CG2 3.48Å; F172-V180 HydrophobicContact CZ-CG2 3.81Å
173	H	93.1	Very high	83.9	Confident	26 Å²	26	45.2 Å²	45.2	12%	0.12	24%	0.236	C	C	.	.			trans	-71.7	151.1	168	-56.5	97.6	0	0	0	110.7	C152 C155 F158 L159 H175 C176 S177	C152-H173 WeakPolarHBondContact CB-CE1 3.19Å; C152-H173 WeakPolarHBondContact CB-ND1 3.34Å; C155-H173 VanDerWaalsContact SG-CE1 3.52Å; C155-H173 PolarHBondContact SG-ND1 2.83Å; C155-H173 VanDerWaalsContact SG-ND1 3.4Å; F158-H173 PolarHBondContact O-CE1 2.94Å; F158-H173 PolarHBondContact O-NE2 3.37Å; L159-H173 HydrophobicContact CD1-CB 4.23Å; L159-H173 WeakPolarHBondContact CD1-CD2 3.45Å; H173-H175 VanDerWaalsContact C-N 3.31Å; H173-H175 WeakPolarHBondContact CB-CE1 3.25Å; H173-H175 AromaticContact CD2-CE1 3.91Å; H173-H175 AromaticContact CG-CE1 3.47Å; H173-H175 VanDerWaalsContact CG-CE1 3.47Å; H173-H175 AromaticContact ND1-CE1 3.93Å; H173-H175 PolarHBondContact O-N 2.83Å; H173-C176 HydrophobicContact CB-CB 4.31Å; H173-C176 WeakPolarHBondContact O-CA 3.47Å; H173-C176 WeakPolarHBondContact O-CB 3.47Å; H173-C176 PolarHBondContact O-N 2.82Å; H173-S177 PolarHBondContact O-N 3.32Å
174	E	92.1	Very high	82.9	Confident	90 Å²	90	44.6 Å²	44.6	42%	0.421	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-50.8	-44.7	175.4	-170.4	149.3	-146.8	0	0	113.9	R143 F163 C176 S177	R143-E174 IonicContact CZ-OE1 3.19Å; R143-E174 IonicContact CZ-OE2 3.69Å; R143-E174 VanDerWaalsContact NH1-CD 3.3Å; R143-E174 IonicContact NH1-OE1 3.74Å; R143-E174 PolarHBondContact NH1-OE1 2.89Å; R143-E174 IonicContact NH1-OE2 2.82Å; R143-E174 PolarHBondContact NH1-OE2 3.42Å; R143-E174 IonicContact NH2-OE1 3.33Å; R143-E174 PolarHBondContact NH2-OE1 2.98Å; R143-E174 IonicContact NH2-OE2 3.85Å; F163-E174 HydrophobicContact CE2-CB 3.93Å; F163-E174 HydrophobicContact CE2-CG 3.98Å; E174-C176 PolarHBondContact O-N 2.83Å; E174-S177 WeakPolarHBondContact O-CB 3.41Å; E174-S177 PolarHBondContact O-N 2.88Å; E174-S177 PolarHBondContact O-OG 2.89Å
175	H	91.5	Very high	81.5	Confident	105 Å²	105	44.2 Å²	44.2	49%	0.486	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-72.3	-8.6	176	68.2	-93.2	0	0	0	114.7	H173	H173-H175 VanDerWaalsContact C-N 3.31Å; H173-H175 WeakPolarHBondContact CB-CE1 3.25Å; H173-H175 AromaticContact CD2-CE1 3.91Å; H173-H175 AromaticContact CG-CE1 3.47Å; H173-H175 VanDerWaalsContact CG-CE1 3.47Å; H173-H175 AromaticContact ND1-CE1 3.93Å; H173-H175 PolarHBondContact O-N 2.83Å
176	C	90.4	Very high	79.9	Confident	9 Å²	9	45.7 Å²	45.7	6%	0.061	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-95.1	-2.6	173.1	-70.5	0	0	0	0	112.7	I154 F172 H173 E174 T178 K179	I154-C176 HydrophobicContact CB-CB 4.24Å; I154-C176 HydrophobicContact CD1-CB 4.05Å; I154-C176 VanDerWaalsContact CD1-O 3.24Å; I154-C176 WeakPolarHBondContact CD1-O 3.33Å; I154-C176 HydrophobicContact CG2-CB 4.2Å; F172-C176 HydrophobicContact CB-CB 4.38Å; H173-C176 HydrophobicContact CB-CB 4.31Å; H173-C176 WeakPolarHBondContact O-CA 3.47Å; H173-C176 WeakPolarHBondContact O-CB 3.47Å; H173-C176 PolarHBondContact O-N 2.82Å; E174-C176 PolarHBondContact O-N 2.83Å; C176-T178 PolarHBondContact O-N 2.85Å; C176-T178 VanDerWaalsContact O-N 3.16Å; C176-K179 PolarHBondContact O-N 3.09Å; C176-K179 VanDerWaalsContact O-N 3.08Å
177	S	88.4	Confident	78.5	Confident	59 Å²	59	46.2 Å²	46.2	41%	0.413	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-49.4	-39.3	-177.9	51.4	0	0	0	0	114.4	H173 E174 K179 V180	H173-S177 PolarHBondContact O-N 3.32Å; E174-S177 WeakPolarHBondContact O-CB 3.41Å; E174-S177 PolarHBondContact O-N 2.88Å; E174-S177 PolarHBondContact O-OG 2.89Å; S177-K179 PolarHBondContact O-N 2.86Å; S177-K179 VanDerWaalsContact O-N 3.12Å; S177-V180 WeakPolarHBondContact O-CB 3.48Å; S177-V180 VanDerWaalsContact O-CG2 3.28Å; S177-V180 WeakPolarHBondContact O-CG2 3.27Å; S177-V180 PolarHBondContact O-N 3.24Å; S177-V180 VanDerWaalsContact O-N 3.11Å
178	T	82.8	Confident	77.1	Confident	126 Å²	126	45 Å²	45	77%	0.773	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-64.3	-14.8	-178.3	55.3	0	0	0	0	114.9	C176	C176-T178 PolarHBondContact O-N 2.85Å; C176-T178 VanDerWaalsContact O-N 3.16Å
179	K	82	Confident	75.6	Confident	155 Å²	155	47.3 Å²	47.3	67%	0.674	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-109.6	5	178.6	-63	-179.4	-179	-177.9	0	113	I154 C176 S177	I154-K179 HydrophobicContact CD1-CB 4.16Å; I154-K179 HydrophobicContact CG2-CB 3.7Å; I154-K179 HydrophobicContact CG2-CD 3.93Å; I154-K179 HydrophobicContact CG2-CG 4.44Å; C176-K179 PolarHBondContact O-N 3.09Å; C176-K179 VanDerWaalsContact O-N 3.08Å; S177-K179 PolarHBondContact O-N 2.86Å; S177-K179 VanDerWaalsContact O-N 3.12Å
180	V	79.4	Confident	73.9	Confident	23 Å²	23	47.8 Å²	47.8	14%	0.139	25%	0.25	C	C	.	.	S	Bend	trans	-72.5	132.3	178.7	-179.7	0	0	0	0	109.2	F141 I154 Y170 F172 S177 T182	F141-V180 HydrophobicContact CE1-CG1 4.35Å; F141-V180 HydrophobicContact CE2-CG1 3.81Å; F141-V180 HydrophobicContact CZ-CG1 3.36Å; I154-V180 HydrophobicContact CD1-CB 4.24Å; I154-V180 HydrophobicContact CD1-CG2 3.46Å; I154-V180 VanDerWaalsContact CD1-CG2 3.46Å; Y170-V180 HydrophobicContact CD1-CG1 4.3Å; Y170-V180 HydrophobicContact CE1-CG1 4.1Å; F172-V180 HydrophobicContact CB-CG2 4.2Å; F172-V180 HydrophobicContact CD1-CG1 4.41Å; F172-V180 HydrophobicContact CD1-CG2 3.7Å; F172-V180 HydrophobicContact CD2-CG2 3.39Å; F172-V180 HydrophobicContact CE1-CG1 4.2Å; F172-V180 HydrophobicContact CE1-CG2 3.84Å; F172-V180 HydrophobicContact CE2-CG2 3.6Å; F172-V180 HydrophobicContact CG-CG2 3.48Å; F172-V180 VanDerWaalsContact CG-CG2 3.48Å; F172-V180 HydrophobicContact CZ-CG2 3.81Å; S177-V180 WeakPolarHBondContact O-CB 3.48Å; S177-V180 VanDerWaalsContact O-CG2 3.28Å; S177-V180 WeakPolarHBondContact O-CG2 3.27Å; S177-V180 PolarHBondContact O-N 3.24Å; S177-V180 VanDerWaalsContact O-N 3.11Å; V180-T182 PolarHBondContact O-N 2.79Å
181	P	75.7	Confident	71.7	Confident	44 Å²	44	48.5 Å²	48.5	29%	0.286	25%	0.252	S	S	.	.			trans	-54.7	136.2	170.9	-25.2	34.8	0	0	0	111.1	H139 Y170 M183	H139-P181 PolarHBondContact CD2-O 3.15Å; H139-P181 PolarHBondContact NE2-O 2.8Å; Y170-P181 HydrophobicContact CE2-CG 4.49Å; P181-M183 PolarHBondContact O-N 2.78Å
182	T	69.7	Low	69.3	Low	44 Å²	44	56.7 Å²	56.7	27%	0.27	29%	0.291	S	S	.	.	S	Bend	trans	-69.3	-24.1	-178.5	56.3	0	0	0	0	112.9	R89 V180	R89-T182 WeakPolarHBondContact O-CG2 3.26Å; R89-T182 PolarHBondContact O-OG1 3.01Å; V180-T182 PolarHBondContact O-N 2.79Å
183	M	65.6	Low	66.7	Low	11 Å²	11	60.3 Å²	60.3	5%	0.054	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.1	-171.4	-53.9	-45.8	-68.2	0	0	111.9	L91 F130 L136 H139 P181 V185	L91-M183 HydrophobicContact CD2-CG 4.12Å; F130-M183 HydrophobicContact CD2-CE 4.48Å; F130-M183 HydrophobicContact CE1-CE 4.39Å; F130-M183 HydrophobicContact CE1-CG 4.29Å; F130-M183 HydrophobicContact CE1-SD 4.46Å; F130-M183 HydrophobicContact CE2-CE 3.58Å; F130-M183 HydrophobicContact CE2-SD 4.03Å; F130-M183 HydrophobicContact CZ-CE 3.54Å; F130-M183 HydrophobicContact CZ-CG 3.9Å; F130-M183 HydrophobicContact CZ-SD 3.52Å; F130-M183 VanDerWaalsContact CZ-SD 3.52Å; L136-M183 HydrophobicContact CB-CE 3.74Å; L136-M183 HydrophobicContact CD1-CE 4.4Å; L136-M183 HydrophobicContact CD2-CB 4.04Å; L136-M183 HydrophobicContact CD2-CE 3.96Å; L136-M183 HydrophobicContact CD2-CG 4.26Å; L136-M183 HydrophobicContact CG-CE 4.25Å; H139-M183 PolarHBondContact NE2-O 3.13Å; H139-M183 VanDerWaalsContact NE2-O 3.13Å; P181-M183 PolarHBondContact O-N 2.78Å; M183-V185 WeakPolarHBondContact O-CG2 3.47Å; M183-V185 PolarHBondContact O-N 2.78Å
184	C	71.9	Confident	64.2	Low	3 Å²	3	62.1 Å²	62.1	2%	0.02	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	73.1	169.8	179.3	0	0	0	0	109.1	T137 H139 C168 D186	T137-C184 WeakPolarHBondContact O-CA 3.05Å; T137-C184 VanDerWaalsContact O-CB 3.25Å; T137-C184 WeakPolarHBondContact O-CB 3.17Å; T137-C184 PolarHBondContact O-N 2.66Å; T137-C184 WeakPolarHBondContact OG1-CB 3.24Å; T137-C184 PolarHBondContact OG1-O 3.43Å; T137-C184 VanDerWaalsContact OG1-O 3.11Å; H139-C184 HydrophobicContact CB-CB 4.28Å; H139-C184 WeakPolarHBondContact ND1-CB 3.06Å; C168-C184 VanDerWaalsContact CB-SG 3.56Å; C184-D186 PolarHBondContact O-N 2.98Å
185	V	60.1	Low	61.7	Low	45 Å²	45	60.5 Å²	60.5	27%	0.273	31%	0.314	S	S	.	.			trans	-65.6	128.3	-173.6	-112.9	0	0	0	0	112.1	L136 M183 I190	L136-V185 HydrophobicContact CD2-CG1 4.07Å; M183-V185 WeakPolarHBondContact O-CG2 3.47Å; M183-V185 PolarHBondContact O-N 2.78Å; V185-I190 HydrophobicContact CB-CD1 3.93Å; V185-I190 HydrophobicContact CG1-CD1 3.55Å; V185-I190 HydrophobicContact CG1-CG1 4.29Å
186	D	52.7	Low	59	Low	31 Å²	31	62.5 Å²	62.5	17%	0.166	32%	0.322	C	S	.	.			trans	-87.3	104.7	163.2	-159.4	-43.1	0	0	0	108.8	C184 S188 N189 K599	C184-D186 PolarHBondContact O-N 2.98Å; D186-S188 PolarHBondContact O-N 2.97Å; D186-S188 WeakPolarHBondContact OD1-CB 3.42Å; D186-S188 PolarHBondContact OD1-N 3.2Å; D186-S188 VanDerWaalsContact OD1-N 3.16Å; D186-S188 PolarHBondContact OD1-OG 3.28Å; D186-N189 PolarHBondContact O-N 2.75Å; D186-K599 WeakPolarHBondContact OD2-CE 3.43Å; D186-K599 IonicContact OD2-NZ 3.92Å; D186-K599 PolarHBondContact OD2-NZ 3.33Å
187	W	51.2	Low	56.1	Low	90 Å²	90	68.1 Å²	68.1	34%	0.341	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-13.5	-179.6	-72.3	99.4	0	0	0	114.2	N189 I190 L590 A606	W187-N189 VanDerWaalsContact C-N 3.26Å; W187-N189 PolarHBondContact O-N 2.89Å; W187-I190 HydrophobicContact CD2-CD1 4.08Å; W187-I190 HydrophobicContact CE3-CD1 3.72Å; W187-I190 HydrophobicContact CZ3-CD1 4.1Å; W187-L590 HydrophobicContact CB-CB 4.43Å; W187-L590 HydrophobicContact CB-CD1 4.18Å; W187-L590 HydrophobicContact CD2-CD1 4.23Å; W187-L590 HydrophobicContact CE3-CD1 4.12Å; W187-L590 HydrophobicContact CG-CD1 4.28Å; W187-A606 HydrophobicContact CD2-CB 4.27Å; W187-A606 HydrophobicContact CZ2-CB 4.36Å
188	S	44.6	Very low	53.3	Low	27 Å²	27	72.2 Å²	72.2	19%	0.189	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.7	-178.7	-45.6	0	0	0	0	113.9	D186 S591 K602	D186-S188 PolarHBondContact O-N 2.97Å; D186-S188 WeakPolarHBondContact OD1-CB 3.42Å; D186-S188 PolarHBondContact OD1-N 3.2Å; D186-S188 VanDerWaalsContact OD1-N 3.16Å; D186-S188 PolarHBondContact OD1-OG 3.28Å; S188-S591 WeakPolarHBondContact O-CB 3.34Å; S188-K602 PolarHBondContact OG-NZ 2.78Å
189	N	43.6	Very low	50.7	Low	59 Å²	59	71.1 Å²	71.1	32%	0.316	37%	0.373	S	S	.	.	S	Bend	trans	-113.4	-9.6	-173	-65.2	-60.9	0	0	0	115.2	P135 D186 W187 R191	P135-N189 WeakPolarHBondContact CD-ND2 3.37Å; P135-N189 WeakPolarHBondContact CG-ND2 3.34Å; D186-N189 PolarHBondContact O-N 2.75Å; W187-N189 VanDerWaalsContact C-N 3.26Å; W187-N189 PolarHBondContact O-N 2.89Å; N189-R191 PolarHBondContact O-N 3.13Å; N189-R191 VanDerWaalsContact O-N 3.14Å
190	I	48.3	Very low	48.4	Very low	15 Å²	15	70.2 Å²	70.2	8%	0.077	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.2	-172.3	-59.6	174.2	0	0	0	111.7	V185 W187 L194	V185-I190 HydrophobicContact CB-CD1 3.93Å; V185-I190 HydrophobicContact CG1-CD1 3.55Å; V185-I190 HydrophobicContact CG1-CG1 4.29Å; W187-I190 HydrophobicContact CD2-CD1 4.08Å; W187-I190 HydrophobicContact CE3-CD1 3.72Å; W187-I190 HydrophobicContact CZ3-CD1 4.1Å; I190-L194 HydrophobicContact CG2-CD1 3.74Å; I190-L194 WeakPolarHBondContact O-CD1 3.4Å; I190-L194 VanDerWaalsContact O-CG 3.28Å; I190-L194 WeakPolarHBondContact O-CG 3.29Å
191	R	39.8	Very low	46.2	Very low	43 Å²	43	76.4 Å²	76.4	16%	0.162	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-15.3	-170.8	-80.4	-168.8	143.1	-143.5	-10.1	118	N189 L193 L194 L195 S587 P588	N189-R191 PolarHBondContact O-N 3.13Å; N189-R191 VanDerWaalsContact O-N 3.14Å; R191-L193 PolarHBondContact O-N 2.97Å; R191-L193 VanDerWaalsContact O-N 3.14Å; R191-L194 HydrophobicContact CG-CD1 4.32Å; R191-L194 PolarHBondContact O-N 3.43Å; R191-L194 VanDerWaalsContact O-N 3.09Å; R191-L195 HydrophobicContact CB-CD1 4.44Å; R191-S587 PolarHBondContact NH1-O 3.17Å; R191-S587 PolarHBondContact NH2-OG 3.11Å; R191-P588 PolarHBondContact NH1-O 2.92Å
192	Q	40.2	Very low	44.1	Very low	175 Å²	175	77.8 Å²	77.8	82%	0.818	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.8	174.8	-136.1	172	4.5	0	0	112.2
193	L	38	Very low	42.4	Very low	86 Å²	86	82.9 Å²	82.9	45%	0.45	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-10.8	174.9	-68.2	160.1	0	0	0	114.1	L131 V134 R191	L131-L193 HydrophobicContact CD1-CD1 3.67Å; L131-L193 HydrophobicContact CD1-CD2 4.39Å; V134-L193 HydrophobicContact CG2-CD1 4.45Å; R191-L193 PolarHBondContact O-N 2.97Å; R191-L193 VanDerWaalsContact O-N 3.14Å
194	L	39.3	Very low	40.7	Very low	65 Å²	65	87.9 Å²	87.9	34%	0.34	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-8.2	-170.1	-74.1	178.2	0	0	0	115.6	E94 I190 R191	E94-L194 HydrophobicContact CB-CD2 3.5Å; E94-L194 HydrophobicContact CB-CG 4.42Å; E94-L194 HydrophobicContact CG-CD2 3.46Å; E94-L194 VanDerWaalsContact CG-CD2 3.46Å; I190-L194 HydrophobicContact CG2-CD1 3.74Å; I190-L194 WeakPolarHBondContact O-CD1 3.4Å; I190-L194 VanDerWaalsContact O-CG 3.28Å; I190-L194 WeakPolarHBondContact O-CG 3.29Å; R191-L194 HydrophobicContact CG-CD1 4.32Å; R191-L194 PolarHBondContact O-N 3.43Å; R191-L194 VanDerWaalsContact O-N 3.09Å
195	L	39.7	Very low	38.8	Very low	56 Å²	56	91 Å²	91	29%	0.293	54%	0.535	S	S	.	.	S	Bend	trans	-121.1	-11	-172	-71.3	169.7	0	0	0	114.9	R191	R191-L195 HydrophobicContact CB-CD1 4.44Å
196	F	35	Very low	37.4	Very low	146 Å²	146	96 Å²	96	64%	0.64	57%	0.565	S	S	*	*			trans	-144.3	96	177.7	-64	-80.4	0	0	0	111.2	N198	F196-N198 VanDerWaalsContact C-N 3.28Å; F196-N198 PolarHBondContact O-N 3.45Å
197	P	30.5	Very low	36.6	Very low	127 Å²	127	100.3 Å²	100.3	83%	0.825	59%	0.594	S	S	*	*	S	Bend	trans	-66.9	-27.7	174.6	-22.8	34.9	0	0	0	113.6
198	N	29.5	Very low	35.7	Very low	146 Å²	146	100 Å²	100	78%	0.781	61%	0.611	S	S	*	*			trans	-132.4	100	-174.6	-68.9	-22	0	0	0	111	F196	F196-N198 VanDerWaalsContact C-N 3.28Å; F196-N198 PolarHBondContact O-N 3.45Å
199	S	27.7	Very low	35.4	Very low	102 Å²	102	104.4 Å²	104.4	71%	0.713	64%	0.639	S	S	*	*			trans	-159.8	45.4	165.2	-78.3	0	0	0	0	112.2
200	T	33.6	Very low	35.1	Very low	136 Å²	136	107.9 Å²	107.9	83%	0.834	67%	0.665	S	S	*	*			trans	-90.7	100.2	162.6	47.1	0	0	0	0	109.6
201	V	34.3	Very low	34.2	Very low	153 Å²	153	111.1 Å²	111.1	93%	0.927	69%	0.689	S	S	*	*			trans	27.2	104.6	147	-171.1	0	0	0	0	116.5
202	G	31.7	Very low	34	Very low	73 Å²	73	118.1 Å²	118.1	75%	0.753	72%	0.721	S	S	*	*			trans	171.2	85	171.5	0	0	0	0	0	114.9
203	D	32.3	Very low	33.5	Very low	152 Å²	152	115.3 Å²	115.3	81%	0.813	72%	0.718	S	S	*	*			trans	51.8	133.1	152.5	-134.4	-16.3	0	0	0	122.7
204	S	30.5	Very low	33	Very low	116 Å²	116	119.6 Å²	119.6	81%	0.811	74%	0.738	S	S	*	*			trans	16.3	96	151.9	-53.6	0	0	0	0	120.2
205	G	32.6	Very low	32.7	Very low	69 Å²	69	128.3 Å²	128.3	71%	0.711	77%	0.766	S	S	*	*			trans	178.4	125	162	0	0	0	0	0	113.9	P207	G205-P207 WeakPolarHBondContact O-CD 3.43Å
206	V	30.2	Very low	32.2	Very low	149 Å²	149	136.5 Å²	136.5	90%	0.903	79%	0.793	S	S	*	*			trans	-91	126.9	173.8	176.6	0	0	0	0	109.9
207	P	35.5	Very low	32.1	Very low	121 Å²	121	138 Å²	138	79%	0.786	80%	0.804	S	S	*	*			trans	-114.2	124.6	160.5	5.5	17.1	0	0	0	111.2	G205	G205-P207 WeakPolarHBondContact O-CD 3.43Å
208	A	32.1	Very low	31.9	Very low	84 Å²	84	142.1 Å²	142.1	69%	0.694	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-70	155.5	174.7	0	0	0	0	0	112.2
209	P	38.4	Very low	32.1	Very low	119 Å²	119	142.7 Å²	142.7	77%	0.773	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-68	139.6	172	29.3	-34.3	0	0	0	110.8
210	P	37.9	Very low	32.1	Very low	133 Å²	133	141.8 Å²	141.8	86%	0.864	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-70.6	138.8	-179.2	26	-31.1	0	0	0	112
211	S	29.4	Very low	32.1	Very low	82 Å²	82	142.1 Å²	142.1	57%	0.573	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-92.2	167.7	176.7	46.8	0	0	0	0	112.9
212	F	35.1	Very low	32	Very low	191 Å²	191	139.3 Å²	139.3	84%	0.838	78%	0.784	S	S	*	*			trans	82.8	151.1	166.8	-46.4	-64.2	0	0	0	118.4
213	P	31.1	Very low	31.9	Very low	116 Å²	116	146.5 Å²	146.5	75%	0.753	79%	0.788	S	S	*	*			cis	-129.8	160.9	-37.4	34.4	-20	0	0	0	113.3	R215	P213-R215 PolarHBondContact O-N 3.39Å
214	M	26.1	Very low	32	Very low	176 Å²	176	146.5 Å²	146.5	87%	0.867	79%	0.785	S	S	*	*			trans	-63.3	128.9	169.8	-69.3	-167.5	80.7	0	0	111.4
215	R	32.7	Very low	32.2	Very low	247 Å²	247	145.7 Å²	145.7	93%	0.932	78%	0.777	S	S	*	*			trans	-103.8	115.1	149.7	-93.7	-174.6	173.3	178.9	-1.2	109.4	P213	P213-R215 PolarHBondContact O-N 3.39Å
216	R	29.3	Very low	32	Very low	228 Å²	228	146.5 Å²	146.5	86%	0.86	78%	0.777	S	S	*	*			trans	-65.4	141.8	157.7	-72.6	176.4	176.8	157.1	-0.9	108
217	M	32.7	Very low	32.1	Very low	177 Å²	177	145 Å²	145	87%	0.872	77%	0.773	S	S	*	*			trans	-126	127.5	155.8	-153	163.1	-168.6	0	0	107
218	R	26.9	Very low	32	Very low	214 Å²	214	143.9 Å²	143.9	81%	0.808	77%	0.768	S	S	*	*			trans	-146.2	91.6	-172.4	-174.1	-163.7	-167.2	-129.9	6.7	109.8
219	E	33.3	Very low	32.1	Very low	159 Å²	159	147.6 Å²	147.6	74%	0.743	77%	0.771	S	S	*	*			trans	-133	120.3	159.1	-85.8	119.5	163.2	0	0	105.1
220	S	27.7	Very low	31.8	Very low	82 Å²	82	149 Å²	149	57%	0.573	77%	0.767	S	S	*	*			cis	68.7	145.6	38.1	-48	0	0	0	0	113.2
221	V	33.6	Very low	31.6	Very low	143 Å²	143	154 Å²	154	87%	0.867	77%	0.769	S	S	*	*			trans	81.2	122.5	-171.8	-172.2	0	0	0	0	113.5
222	S	32.8	Very low	31.7	Very low	95 Å²	95	160.5 Å²	160.5	66%	0.664	78%	0.782	S	S	*	*			cis	179.7	130.3	-23.4	46.5	0	0	0	0	109
223	R	30.6	Very low	31.5	Very low	223 Å²	223	156.5 Å²	156.5	84%	0.842	78%	0.778	S	S	*	*			trans	38.4	122.7	131.9	-69.9	-177.1	177.4	-173	3.1	120.9
224	M	34.1	Very low	31.6	Very low	152 Å²	152	156 Å²	156	75%	0.749	77%	0.773	S	S	*	*				166.7	159.5	111.3	-86.9	-54.8	84.8	0	0	113.2
225	P	33.1	Very low	31.9	Very low	100 Å²	100	154 Å²	154	65%	0.649	77%	0.773	S	S	*	*				-141.1	-179.5	-129.1	45.7	-27.8	0	0	0	118.4
226	A	30.3	Very low	32	Very low	86 Å²	86	150 Å²	150	71%	0.711	77%	0.765	S	S	*	*			trans	77.3	155.3	141.6	0	0	0	0	0	122
227	S	31.4	Very low	32.1	Very low	117 Å²	117	143 Å²	143	82%	0.818	76%	0.756	S	S	*	*			trans	71.4	140	179.3	75.1	0	0	0	0	116.3
228	S	34.2	Very low	32.1	Very low	98 Å²	98	144 Å²	144	69%	0.685	76%	0.756	S	S	*	*			cis	-163.9	140.5	-10.4	43.7	0	0	0	0	112.9
229	Q	33.9	Very low	32.3	Very low	162 Å²	162	138.9 Å²	138.9	76%	0.757	75%	0.748	S	S	*	*			trans	65.9	134.5	139.7	-73.1	-179.8	-8.1	0	0	123.5
230	H	32.3	Very low	32.2	Very low	149 Å²	149	140.3 Å²	140.3	69%	0.69	75%	0.752	S	S	*	*			trans	64.8	111	139.4	-70.8	-44.6	0	0	0	119.4
231	R	32.6	Very low	32.4	Very low	236 Å²	236	143.3 Å²	143.3	89%	0.891	76%	0.762	S	S	*	*				-175.2	164.3	66	-103.1	154.1	-157.9	-148.9	8.7	113
232	Y	31.3	Very low	32.2	Very low	220 Å²	220	143.2 Å²	143.2	86%	0.863	76%	0.762	S	S	*	*			trans	-67.7	146.9	169.5	-64.3	-105.7	0	0	0	113
233	S	31.2	Very low	32.5	Very low	107 Å²	107	143.8 Å²	143.8	75%	0.748	77%	0.766	S	S	*	*				172.9	148.5	117.4	-76.9	0	0	0	0	114.7
234	T	33.3	Very low	32.6	Very low	104 Å²	104	137.9 Å²	137.9	64%	0.638	76%	0.759	S	S	*	*			trans	47.2	122.2	154.8	51.4	0	0	0	0	122.1	H236	T234-H236 PolarHBondContact O-N 3.17Å
235	P	33.3	Very low	32.7	Very low	136 Å²	136	136.7 Å²	136.7	88%	0.883	76%	0.762	S	S	*	*			trans	-85.5	94.2	158.2	33.4	-28.3	0	0	0	110.3
236	H	34.6	Very low	32.8	Very low	162 Å²	162	137.4 Å²	137.4	75%	0.75	77%	0.769	S	S	*	*			trans	-81.6	147.8	165.9	-90.1	-78.2	0	0	0	111.6	T234	T234-H236 PolarHBondContact O-N 3.17Å
237	A	31.5	Very low	32.9	Very low	81 Å²	81	139.1 Å²	139.1	67%	0.669	78%	0.777	S	S	*	*			trans	-31.7	129	-178.9	0	0	0	0	0	117	T239	A237-T239 PolarHBondContact O-N 3.1Å
238	F	32.5	Very low	33.1	Very low	198 Å²	198	143 Å²	143	87%	0.868	78%	0.782	S	S	*	*			trans	-72.2	76.4	157.4	-82.4	-78.1	0	0	0	110.6	F240	F238-F240 PolarHBondContact O-N 2.71Å
239	T	29.7	Very low	32.8	Very low	106 Å²	106	141.7 Å²	141.7	65%	0.65	78%	0.783	S	S	*	*			trans	-76.1	106.9	158.4	-53.3	0	0	0	0	107.5	A237 N241	A237-T239 PolarHBondContact O-N 3.1Å; T239-N241 PolarHBondContact O-N 2.61Å
240	F	31.7	Very low	32.8	Very low	190 Å²	190	139.7 Å²	139.7	83%	0.833	79%	0.788	S	S	*	*			trans	-68.7	98.4	170.6	-101.1	-87.7	0	0	0	109.2	F238 T242	F238-F240 PolarHBondContact O-N 2.71Å; F240-T242 PolarHBondContact O-N 3.32Å
241	N	31.5	Very low	32.7	Very low	144 Å²	144	141 Å²	141	77%	0.77	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-62.1	128.8	170	-87.1	-2.9	0	0	0	109.9	T239 S243	T239-N241 PolarHBondContact O-N 2.61Å; N241-S243 PolarHBondContact O-N 2.78Å
242	T	31.2	Very low	32.7	Very low	142 Å²	142	135 Å²	135	87%	0.871	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-72.1	121.5	174.5	-11.4	0	0	0	0	108.9	F240 S244	F240-T242 PolarHBondContact O-N 3.32Å; T242-S244 PolarHBondContact O-N 2.82Å
243	S	37.5	Very low	33.5	Very low	107 Å²	107	132 Å²	132	75%	0.748	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-73.7	118.1	169.8	47.8	0	0	0	0	110.4	N241	N241-S243 PolarHBondContact O-N 2.78Å
244	S	33.5	Very low	34.2	Very low	99 Å²	99	139 Å²	139	69%	0.692	80%	0.797	S	S	*	*			trans	30.5	113.7	155.5	58.5	0	0	0	0	118.9	T242 S246	T242-S244 PolarHBondContact O-N 2.82Å; S244-S246 PolarHBondContact O-N 3.36Å
245	P	35.3	Very low	35.6	Very low	127 Å²	127	141.3 Å²	141.3	83%	0.825	80%	0.8	S	S	*	*			trans	-75.1	114.2	167.9	31.3	-31.3	0	0	0	110.9
246	S	35.9	Very low	37.4	Very low	114 Å²	114	146.1 Å²	146.1	80%	0.797	80%	0.801	S	S	*	*			trans	-67	132.5	163.3	50.8	0	0	0	0	110.1	S244 E248	S244-S246 PolarHBondContact O-N 3.36Å; S246-E248 PolarHBondContact O-N 3.46Å
247	S	33.5	Very low	39.4	Very low	123 Å²	123	143.7 Å²	143.7	86%	0.86	80%	0.802	S	S	*	*			trans	-85.2	94.3	-168.5	-46.3	0	0	0	0	113.3
248	E	33.9	Very low	41.5	Very low	198 Å²	198	145.5 Å²	145.5	93%	0.925	81%	0.805	S	S	*	*			trans	-168.8	136.1	161.2	-105.2	170	-157	0	0	104.8	S246	S246-E248 PolarHBondContact O-N 3.46Å
249	G	29.6	Very low	43.5	Very low	70 Å²	70	139.5 Å²	139.5	72%	0.722	79%	0.788	S	S	*	*			cis	148.7	127.8	16.5	0	0	0	0	0	105.7
250	S	32.5	Very low	45.7	Very low	121 Å²	121	140.2 Å²	140.2	85%	0.846	79%	0.792	S	S	*	*			trans	92.4	132.9	-177.1	-160.4	0	0	0	0	118.3
251	L	30.9	Very low	47.7	Very low	175 Å²	175	134 Å²	134	92%	0.916	77%	0.77	S	S	*	*			trans	-91.2	106	-175.6	-71.6	157.1	0	0	0	111.1
252	S	33.1	Very low	49.6	Very low	110 Å²	110	131.8 Å²	131.8	77%	0.769	76%	0.759	S	S	*	*			trans	-153.9	137.8	159.3	57	0	0	0	0	113.6
253	Q	46.6	Very low	51.2	Low	158 Å²	158	131 Å²	131	74%	0.738	75%	0.753	S	S	*	*			trans	62.1	82.7	169.2	-154	170.9	81	0	0	117.6	Q255	Q253-Q255 PolarHBondContact O-N 3.25Å
254	R	47.4	Very low	51.7	Low	255 Å²	255	133.5 Å²	133.5	96%	0.962	75%	0.753	S	S	*	*			trans	-60.4	102.6	168.2	-166.1	-178.9	-162.6	-135	5.8	110.7
255	Q	62	Low	51.7	Low	152 Å²	152	135.7 Å²	135.7	71%	0.71	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-62.3	138.6	178.6	-68.1	-172.4	-4.5	0	0	111.5	Q253	Q253-Q255 PolarHBondContact O-N 3.25Å
256	R	72	Confident	51.7	Low	236 Å²	236	135 Å²	135	89%	0.891	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-87.4	127.7	-178.9	-160.6	-179.9	-155.4	164.8	7.7	110.8
257	S	75.4	Confident	51.4	Low	111 Å²	111	133 Å²	133	78%	0.776	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-62.1	157.1	171.9	-51.6	0	0	0	0	112.3
258	T	75	Confident	51.3	Low	119 Å²	119	133.3 Å²	133.3	73%	0.73	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-72	133.7	175.5	48.3	0	0	0	0	111.8
259	S	76.3	Confident	51.2	Low	73 Å²	73	129.2 Å²	129.2	51%	0.51	72%	0.719	S	S	.	*	P	Polyproline II helix	trans	-94.4	167.8	168.4	62.4	0	0	0	0	111.7
260	T	74.5	Confident	51.4	Low	120 Å²	120	133.4 Å²	133.4	74%	0.736	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-52.2	136.4	166.7	-45.1	0	0	0	0	110.5
261	P	74.2	Confident	51.3	Low	59 Å²	59	136.3 Å²	136.3	38%	0.383	72%	0.724	S	S	.	*	P	Polyproline II helix	trans	-71.3	160.7	175.6	30.4	-36	0	0	0	111.7	L149 F158 V263	L149-P261 HydrophobicContact CD1-CB 4.34Å; F158-P261 HydrophobicContact CE2-CB 4.06Å; F158-P261 HydrophobicContact CZ-CB 4.16Å; P261-V263 PolarHBondContact O-N 3.09Å; P261-V263 VanDerWaalsContact O-N 3.09Å
262	N	70.8	Confident	51.4	Low	99 Å²	99	133.8 Å²	133.8	53%	0.529	72%	0.715	S	S	.	*			trans	-66.9	107.5	177	-68.7	-12.3	0	0	0	111.2	L147 H264	L147-N262 PolarHBondContact O-ND2 3.22Å; N262-H264 PolarHBondContact O-N 3.46Å
263	V	65.5	Low	51.3	Low	124 Å²	124	134.7 Å²	134.7	75%	0.752	71%	0.711	S	S	*	*			trans	-94.5	77	174.1	-168.9	0	0	0	0	109.7	P261	P261-V263 PolarHBondContact O-N 3.09Å; P261-V263 VanDerWaalsContact O-N 3.09Å
264	H	46.8	Very low	50.4	Low	161 Å²	161	132.7 Å²	132.7	75%	0.745	72%	0.715	S	S	*	*			trans	-87.7	110.5	166.3	-168.6	-65.1	0	0	0	108.6	N262 V266	N262-H264 PolarHBondContact O-N 3.46Å; H264-V266 PolarHBondContact O-N 3.38Å
265	M	34	Very low	49.6	Very low	145 Å²	145	130.8 Å²	130.8	71%	0.714	71%	0.708	S	S	*	*			trans	-61.1	114.2	171.9	-68.4	-153.7	-58	0	0	109.3	S267	M265-S267 VanDerWaalsContact C-N 3.27Å; M265-S267 PolarHBondContact O-N 2.88Å
266	V	36.2	Very low	48.3	Very low	113 Å²	113	132.7 Å²	132.7	69%	0.685	72%	0.719	S	S	*	*			trans	-90.5	77.4	160.2	-176.8	0	0	0	0	106	H264 T268	H264-V266 PolarHBondContact O-N 3.38Å; V266-T268 VanDerWaalsContact C-N 3.35Å; V266-T268 HydrophobicContact CG1-CG2 4.5Å; V266-T268 PolarHBondContact O-N 2.95Å
267	S	28.7	Very low	46.3	Very low	72 Å²	72	129.4 Å²	129.4	50%	0.503	72%	0.717	S	S	.	*			trans	-70.1	91.6	174.1	-62.1	0	0	0	0	109.2	M265 T269	M265-S267 VanDerWaalsContact C-N 3.27Å; M265-S267 PolarHBondContact O-N 2.88Å; S267-T269 PolarHBondContact O-N 2.96Å
268	T	32.7	Very low	44.2	Very low	129 Å²	129	132.7 Å²	132.7	79%	0.791	72%	0.72	S	S	*	*			trans	-75.3	60.9	161.4	44.1	0	0	0	0	110.3	V266 L270	V266-T268 VanDerWaalsContact C-N 3.35Å; V266-T268 HydrophobicContact CG1-CG2 4.5Å; V266-T268 PolarHBondContact O-N 2.95Å; T268-L270 PolarHBondContact O-N 2.77Å
269	T	31.7	Very low	42.1	Very low	112 Å²	112	131.7 Å²	131.7	69%	0.687	72%	0.719	S	S	*	*			trans	-89.4	81.1	154.5	49.3	0	0	0	0	107	S267 H271	S267-T269 PolarHBondContact O-N 2.96Å; T269-H271 PolarHBondContact O-N 2.76Å
270	L	33.6	Very low	40	Very low	158 Å²	158	136.2 Å²	136.2	83%	0.827	74%	0.737	S	S	*	*			trans	-62.1	125.2	156.5	-73.6	172.8	0	0	0	106.4	T268 V272	T268-L270 PolarHBondContact O-N 2.77Å; L270-V272 PolarHBondContact O-N 2.99Å
271	H	30.2	Very low	37.9	Very low	182 Å²	182	135.3 Å²	135.3	84%	0.843	74%	0.735	S	S	*	*			trans	-60.1	104.8	171.1	-98.8	-107.4	0	0	0	108.4	T269 D273	T269-H271 PolarHBondContact O-N 2.76Å; H271-D273 PolarHBondContact O-N 2.93Å
272	V	33.7	Very low	35.9	Very low	122 Å²	122	140 Å²	140	74%	0.739	76%	0.756	S	S	*	*			trans	-82.2	105	158.5	-179.6	0	0	0	0	105.6	L270 S274	L270-V272 PolarHBondContact O-N 2.99Å; V272-S274 PolarHBondContact O-N 3.17Å; V272-S274 PolarHBondContact O-OG 3.09Å
273	D	29.6	Very low	34.1	Very low	128 Å²	128	142.1 Å²	142.1	68%	0.684	77%	0.768	S	S	*	*			trans	-61.7	109.3	-174.8	-156	-13.6	0	0	0	109.9	H271 R275	H271-D273 PolarHBondContact O-N 2.93Å; D273-R275 PolarHBondContact O-N 3.08Å
274	S	27.9	Very low	32.6	Very low	116 Å²	116	140.9 Å²	140.9	81%	0.811	77%	0.77	S	S	*	*			trans	-86	55.9	-168.9	-64.8	0	0	0	0	111.2	V272	V272-S274 PolarHBondContact O-N 3.17Å; V272-S274 PolarHBondContact O-OG 3.09Å
275	R	31.7	Very low	31.9	Very low	215 Å²	215	139 Å²	139	81%	0.811	78%	0.775	S	S	*	*			trans	-143.6	56.8	-179.4	-69.9	-172.8	177.8	166.5	-0.1	113.2	D273	D273-R275 PolarHBondContact O-N 3.08Å
276	M	33.6	Very low	31.9	Very low	193 Å²	193	137.6 Å²	137.6	95%	0.951	78%	0.777	S	S	*	*			trans	-149.9	84.8	148.1	-76.3	-150.2	173.3	0	0	110.1
277	I	30.6	Very low	32	Very low	167 Å²	167	144 Å²	144	86%	0.856	79%	0.789	S	S	*	*			trans	-113.4	100.9	155.7	-62.1	174.8	0	0	0	105.3
278	E	31.2	Very low	32.1	Very low	179 Å²	179	145.5 Å²	145.5	84%	0.836	81%	0.805	S	S	*	*			trans	-169.4	126.7	144.6	-110.6	168.1	-173.2	0	0	111.2
279	S	30	Very low	32.1	Very low	99 Å²	99	145.8 Å²	145.8	69%	0.692	81%	0.811	S	S	*	*			trans	46.1	96	141.4	-50.9	0	0	0	0	119.6
280	N	32.8	Very low	32.1	Very low	167 Å²	167	144.9 Å²	144.9	89%	0.893	81%	0.809	S	S	*	*				-173.3	152.8	97.2	-99.8	-32	0	0	0	115
281	S	29.5	Very low	32.1	Very low	101 Å²	101	148 Å²	148	71%	0.706	81%	0.81	S	S	*	*			trans	-86.5	165.8	-179.9	-55.6	0	0	0	0	113
282	L	32.5	Very low	32.4	Very low	158 Å²	158	150.6 Å²	150.6	83%	0.827	81%	0.812	S	S	*	*			trans	90	132	156.6	-60.6	149.3	0	0	0	119.4
283	N	33.8	Very low	32.5	Very low	144 Å²	144	153.9 Å²	153.9	77%	0.77	82%	0.817	S	S	*	*			trans	79.8	91.2	150.7	-62.6	-9.8	0	0	0	121.9
284	A	33.2	Very low	32.7	Very low	97 Å²	97	152.1 Å²	152.1	80%	0.802	81%	0.814	S	S	*	*				82	120	109.7	0	0	0	0	0	122.5
285	S	32.9	Very low	33	Very low	121 Å²	121	154.3 Å²	154.3	85%	0.846	82%	0.816	S	S	*	*			trans	86	125.1	142	-149.8	0	0	0	0	119.8
286	P	34.4	Very low	33.3	Very low	116 Å²	116	156.2 Å²	156.2	75%	0.753	82%	0.823	S	S	*	*			trans	-102.2	144.5	179.8	37.6	-31.9	0	0	0	113.7
287	R	37.3	Very low	33.1	Very low	249 Å²	249	150.2 Å²	150.2	94%	0.94	81%	0.811	S	S	*	*			trans	-162.6	125.8	156.8	-109.9	159.9	-165.2	-160.7	3.5	113.7
288	A	31.8	Very low	33.5	Very low	102 Å²	102	153 Å²	153	84%	0.843	81%	0.811	S	S	*	*			trans	38.7	129.2	149.6	0	0	0	0	0	121.7
289	C	31.4	Very low	33.7	Very low	135 Å²	135	150.8 Å²	150.8	91%	0.912	81%	0.805	S	S	*	*				-165	151.4	100.1	-156	0	0	0	0	114.7
290	S	31.8	Very low	34	Very low	93 Å²	93	150.4 Å²	150.4	65%	0.65	81%	0.807	S	S	*	*			trans	-72.4	155	-173.5	-86.3	0	0	0	0	119
291	R	33.7	Very low	34.1	Very low	224 Å²	224	149.4 Å²	149.4	85%	0.845	80%	0.8	S	S	*	*			trans	70.5	123.8	135.5	-70.8	167.1	-177.3	-164.9	-0	121.9
292	R	37.6	Very low	34.4	Very low	236 Å²	236	155.6 Å²	155.6	89%	0.891	81%	0.808	S	S	*	*				170.8	119.1	114	-89.4	167.8	-159.4	-163.8	6.6	107.8
293	F	34.3	Very low	34.5	Very low	191 Å²	191	151.6 Å²	151.6	84%	0.838	79%	0.793	S	S	*	*				43.6	134.4	70.9	-85.1	-99.3	0	0	0	114
294	C	34.7	Very low	34.7	Very low	91 Å²	91	152.6 Å²	152.6	62%	0.615	79%	0.793	S	S	*	*			cis	-174.4	162.4	-15.3	-125.4	0	0	0	0	109.3
295	L	34.6	Very low	34.9	Very low	162 Å²	162	152.3 Å²	152.3	85%	0.848	79%	0.785	S	S	*	*			trans	51.7	119.1	150.2	-63.2	165	0	0	0	121.3
296	R	36.8	Very low	35.2	Very low	255 Å²	255	154.2 Å²	154.2	96%	0.962	78%	0.781	S	S	*	*				-170.3	163.4	115	-105.4	178.3	-174.8	-149.8	2	110.9
297	G	30.9	Very low	35.5	Very low	68 Å²	68	154.2 Å²	154.2	70%	0.701	78%	0.783	S	S	*	*			trans	-155.7	-171.6	173.6	0	0	0	0	0	111.4
298	R	37.6	Very low	35.6	Very low	225 Å²	225	146.2 Å²	146.2	85%	0.849	77%	0.77	S	S	*	*			trans	100.6	113.3	178.7	-75.6	-168	145.7	145.5	-0.3	118.4
299	D	35.9	Very low	36.1	Very low	133 Å²	133	146.9 Å²	146.9	71%	0.711	77%	0.769	S	S	*	*				79.9	137.5	120.9	-53.5	-19.9	0	0	0	122.5
300	A	36.6	Very low	36.8	Very low	90 Å²	90	146 Å²	146	74%	0.744	76%	0.761	S	S	*	*			trans	73.7	148.8	155.4	0	0	0	0	0	119.2
301	I	35.6	Very low	37.2	Very low	146 Å²	146	147 Å²	147	75%	0.749	77%	0.768	S	S	*	*			cis	-172.6	149.5	-28.6	-110.8	155.5	0	0	0	106.3
302	R	35.5	Very low	37.6	Very low	232 Å²	232	140.2 Å²	140.2	88%	0.875	76%	0.76	S	S	*	*			trans	64.5	158.7	167.8	-87.2	174	174.1	174.8	-3.7	117.3
303	S	34.8	Very low	37.8	Very low	74 Å²	74	136.9 Å²	136.9	52%	0.517	76%	0.759	S	S	.	*			cis	-178.4	167.9	-30.9	43.9	0	0	0	0	109.4
304	H	38.1	Very low	38.1	Very low	164 Å²	164	132.8 Å²	132.8	76%	0.759	75%	0.754	S	S	*	*			trans	78.5	110.9	173.6	-57	-69.1	0	0	0	115.1
305	S	37.2	Very low	38.4	Very low	91 Å²	91	133.5 Å²	133.5	64%	0.636	76%	0.76	S	S	*	*				75.5	141.9	83.9	76.2	0	0	0	0	112.1
306	E	38.3	Very low	38.5	Very low	161 Å²	161	131.1 Å²	131.1	75%	0.752	76%	0.758	S	S	*	*			cis	-170.3	151.6	35.1	-138.4	148.3	139	0	0	112.1
307	S	40.8	Very low	38.8	Very low	116 Å²	116	124 Å²	124	81%	0.811	74%	0.744	S	S	*	*			trans	56.3	157.8	148.3	73.6	0	0	0	0	120.7
308	A	39.4	Very low	39.2	Very low	81 Å²	81	127 Å²	127	67%	0.669	75%	0.745	S	S	*	*			cis	-156.3	137.1	-6.1	0	0	0	0	0	107.8
309	S	42	Very low	39	Very low	117 Å²	117	122.8 Å²	122.8	82%	0.818	74%	0.739	S	S	*	*				94.1	155	94.4	-68	0	0	0	0	115.3
310	P	46.7	Very low	39.3	Very low	115 Å²	115	124.7 Å²	124.7	75%	0.747	75%	0.748	S	S	*	*				-137.9	-154.2	-127.1	45.4	-28.5	0	0	0	116.6
311	S	40.6	Very low	39.2	Very low	114 Å²	114	125.7 Å²	125.7	80%	0.797	75%	0.75	S	S	*	*			trans	102.7	149.6	167	-34.9	0	0	0	0	115.2
312	A	40.7	Very low	39.5	Very low	82 Å²	82	124.8 Å²	124.8	68%	0.678	75%	0.753	S	S	*	*			cis	-159.5	165.3	8.1	0	0	0	0	0	114.9
313	L	41.8	Very low	39.4	Very low	166 Å²	166	120.3 Å²	120.3	87%	0.869	75%	0.752	S	S	*	*			trans	80.5	120.1	144.2	-69.8	161.3	0	0	0	124.1
314	S	40.9	Very low	39.3	Very low	105 Å²	105	120.4 Å²	120.4	73%	0.734	76%	0.764	S	S	*	*			trans	69.2	134.7	132	172.4	0	0	0	0	120.4
315	S	41	Very low	39	Very low	106 Å²	106	124.8 Å²	124.8	74%	0.741	77%	0.774	S	S	*	*			cis	-163.4	163.1	-9.5	39.9	0	0	0	0	110.7
316	S	38.2	Very low	39	Very low	113 Å²	113	126.2 Å²	126.2	79%	0.79	78%	0.784	S	S	*	*			trans	-111.2	-172.4	173.2	-53.1	0	0	0	0	108.7
317	P	43	Very low	39	Very low	104 Å²	104	127.2 Å²	127.2	68%	0.675	79%	0.789	S	S	*	*			cis	-150.8	-171.2	10.8	44.9	-23.3	0	0	0	118.8
318	N	38.5	Very low	39.1	Very low	133 Å²	133	127.5 Å²	127.5	71%	0.711	79%	0.788	S	S	*	*			trans	82	110.5	144.2	-72.4	-14.8	0	0	0	123.5
319	N	34.1	Very low	39	Very low	136 Å²	136	132.7 Å²	132.7	73%	0.727	80%	0.795	S	S	*	*				38.8	125.1	117.2	-66.2	-22.2	0	0	0	120.8
320	L	41.6	Very low	38.8	Very low	172 Å²	172	133 Å²	133	90%	0.901	79%	0.792	S	S	*	*				172.4	138.3	112	-90.8	151.8	0	0	0	111.3
321	S	35.3	Very low	38.5	Very low	112 Å²	112	133.4 Å²	133.4	78%	0.783	80%	0.795	S	S	*	*			trans	-84.5	154.3	161.1	-50.7	0	0	0	0	109.5
322	P	40.4	Very low	38.5	Very low	126 Å²	126	134.5 Å²	134.5	82%	0.818	80%	0.797	S	S	*	*				-153.3	176.4	99.8	38.9	-20.5	0	0	0	116.6
323	T	34.2	Very low	38.6	Very low	139 Å²	139	136.4 Å²	136.4	85%	0.853	80%	0.802	S	S	*	*			trans	-62.5	147.2	168	48.6	0	0	0	0	114.5
324	G	33	Very low	38.6	Very low	75 Å²	75	132.5 Å²	132.5	77%	0.773	79%	0.794	S	S	*	*			trans	-176	142.9	166.2	0	0	0	0	0	113.4
325	W	30.8	Very low	38.8	Very low	257 Å²	257	136.7 Å²	136.7	97%	0.973	80%	0.802	S	S	*	*			trans	-86.9	156.1	-177	-56	-18.1	0	0	0	113.1
326	S	36.7	Very low	38.7	Very low	121 Å²	121	143 Å²	143	85%	0.846	81%	0.809	S	S	*	*				178.7	145.7	123.8	-80.6	0	0	0	0	113.7
327	Q	38.4	Very low	39	Very low	182 Å²	182	147.1 Å²	147.1	85%	0.85	82%	0.816	S	S	*	*			trans	-109.3	144.5	170.8	-80.9	-92.8	-20.5	0	0	109.8
328	P	43.5	Very low	38.6	Very low	122 Å²	122	153.7 Å²	153.7	79%	0.792	83%	0.828	S	S	*	*			trans	-106.7	151.3	157	0.3	21.2	0	0	0	112.5
329	K	37.4	Very low	39.2	Very low	190 Å²	190	152 Å²	152	83%	0.826	83%	0.832	S	S	*	*			trans	-103.9	145.7	-172.1	-55.3	168.3	173.7	171.8	0	112.4
330	T	37.6	Very low	39.3	Very low	123 Å²	123	151.6 Å²	151.6	76%	0.755	84%	0.837	S	S	*	*			trans	47.4	143.1	134.7	59.8	0	0	0	0	120.8
331	P	41.3	Very low	39.3	Very low	124 Å²	124	147.1 Å²	147.1	81%	0.805	83%	0.832	S	S	*	*				-148.9	176.5	64	37.1	-14.8	0	0	0	118.5
332	V	39.6	Very low	39.6	Very low	136 Å²	136	148.1 Å²	148.1	82%	0.824	84%	0.839	S	S	*	*			trans	-114	139.6	-175.3	-175.7	0	0	0	0	110.6
333	P	42.6	Very low	39.5	Very low	122 Å²	122	145 Å²	145	79%	0.792	83%	0.83	S	S	*	*				-143.7	173.1	123	28.4	-9	0	0	0	112.6
334	A	43.6	Very low	39.9	Very low	85 Å²	85	145.3 Å²	145.3	70%	0.702	83%	0.832	S	S	*	*			cis	-169.1	-180	-28.6	0	0	0	0	0	109.1
335	Q	44	Very low	40.1	Very low	193 Å²	193	149.8 Å²	149.8	90%	0.902	83%	0.833	S	S	*	*			trans	69.2	134.4	176.3	-56.6	-177	-15.8	0	0	116.6
336	R	39.2	Very low	40.7	Very low	237 Å²	237	146.6 Å²	146.6	89%	0.894	83%	0.829	S	S	*	*			cis	129.6	100.8	-9.8	-177.3	-171.3	-165.9	-179.3	5.6	110.1
337	E	43.7	Very low	41.1	Very low	201 Å²	201	148.9 Å²	148.9	94%	0.939	82%	0.823	S	S	*	*			trans	-150.5	155.4	150.4	-117.7	171.4	-178.9	0	0	110.3
338	R	35	Very low	41.2	Very low	242 Å²	242	148 Å²	148	91%	0.913	82%	0.824	S	S	*	*			trans	-141.9	126.7	-162.7	-170.9	-176.1	-159.2	-179.2	7.4	111.7
339	A	51.5	Low	41.4	Very low	96 Å²	96	151.1 Å²	151.1	79%	0.793	83%	0.826	S	S	*	*			trans	-120.8	140.1	165.6	0	0	0	0	0	110.2
340	P	36.6	Very low	41.9	Very low	128 Å²	128	149.8 Å²	149.8	83%	0.831	83%	0.826	S	S	*	*			trans	-106.6	158.5	-178.6	38.5	-32.9	0	0	0	114.5
341	G	40.3	Very low	42.2	Very low	79 Å²	79	154.4 Å²	154.4	81%	0.814	83%	0.829	S	S	*	*			trans	107	139.3	173.9	0	0	0	0	0	111.8
342	S	41.8	Very low	42.3	Very low	132 Å²	132	154.3 Å²	154.3	92%	0.923	83%	0.829	S	S	*	*			cis	-177.2	150.5	0.4	178.2	0	0	0	0	104.7
343	G	39.6	Very low	42.8	Very low	61 Å²	61	159.3 Å²	159.3	63%	0.629	83%	0.833	S	S	*	*			trans	124.4	106.8	166.5	0	0	0	0	0	116.9
344	T	41.7	Very low	42.9	Very low	145 Å²	145	157 Å²	157	89%	0.89	83%	0.831	S	S	*	*			trans	50.8	102	151.7	43.8	0	0	0	0	119.8	E346	T344-E346 PolarHBondContact O-N 3.14Å
345	Q	36.7	Very low	42.9	Very low	170 Å²	170	161.9 Å²	161.9	79%	0.794	84%	0.84	S	S	*	*			trans	-68.9	110.9	155.6	-69.4	-177.1	4.7	0	0	110.8
346	E	44.2	Very low	42.8	Very low	189 Å²	189	161 Å²	161	88%	0.883	83%	0.828	S	S	*	*			trans	-92.6	108.8	154.1	-125.8	-170.8	155.5	0	0	109.4	T344 N348	T344-E346 PolarHBondContact O-N 3.14Å; E346-N348 PolarHBondContact O-N 3.47Å; E346-N348 VanDerWaalsContact O-N 3.13Å
347	K	44.1	Very low	43.6	Very low	170 Å²	170	155.1 Å²	155.1	74%	0.739	81%	0.814	S	S	*	*			trans	-70.9	109.1	-179.8	-79.2	176.3	175.5	171.5	0	109.8	K349	K347-K349 VanDerWaalsContact C-N 3.28Å; K347-K349 PolarHBondContact O-N 2.68Å
348	N	41.9	Very low	44.6	Very low	162 Å²	162	147.9 Å²	147.9	87%	0.866	79%	0.786	S	S	*	*			trans	-53.1	86.7	166.8	-92	-41	0	0	0	111.7	E346 I350	E346-N348 PolarHBondContact O-N 3.47Å; E346-N348 VanDerWaalsContact O-N 3.13Å; N348-I350 PolarHBondContact O-N 3.5Å; N348-I350 VanDerWaalsContact O-N 3.1Å
349	K	46.4	Very low	45.9	Very low	189 Å²	189	138.4 Å²	138.4	82%	0.822	76%	0.757	S	S	*	*			trans	-85.1	82.8	-179	-131.8	179.3	-174	179.9	0	108.8	K347 R351	K347-K349 VanDerWaalsContact C-N 3.28Å; K347-K349 PolarHBondContact O-N 2.68Å; K349-R351 PolarHBondContact O-N 3.43Å
350	I	49	Very low	46.4	Very low	161 Å²	161	141.7 Å²	141.7	83%	0.826	75%	0.75	S	S	*	*			trans	-57.3	104.4	171.1	-58.8	174.4	0	0	0	107.8	N348	N348-I350 PolarHBondContact O-N 3.5Å; N348-I350 VanDerWaalsContact O-N 3.1Å
351	R	43.7	Very low	48.2	Very low	221 Å²	221	142.5 Å²	142.5	83%	0.834	74%	0.737	S	S	*	*			trans	-69.8	150.5	-178.5	-71.6	-173.7	179.3	-172.7	0.7	110.9	K349	K349-R351 PolarHBondContact O-N 3.43Å
352	P	43.2	Very low	50.4	Low	122 Å²	122	143 Å²	143	79%	0.792	72%	0.715	S	S	*	*			trans	-62.2	139.8	-168.7	-22.9	34.1	0	0	0	113.8	G354	P352-G354 PolarHBondContact O-N 2.83Å
353	R	51	Low	52.8	Low	240 Å²	240	140.1 Å²	140.1	91%	0.906	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-67.7	4.5	178.9	-86.1	179.3	168.4	171.4	-4.2	115.3	Q355	R353-Q355 PolarHBondContact O-N 3.06Å
354	G	44.3	Very low	55.3	Low	74 Å²	74	137.5 Å²	137.5	76%	0.763	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-80.4	-15	-158.8	0	0	0	0	0	118.1	P352	P352-G354 PolarHBondContact O-N 2.83Å
355	Q	42.3	Very low	57.7	Low	188 Å²	188	134.9 Å²	134.9	88%	0.879	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-154.3	54.1	-174.8	-140.9	172.5	19.7	0	0	112.9	R353 D357	R353-Q355 PolarHBondContact O-N 3.06Å; Q355-D357 VanDerWaalsContact C-N 3.29Å; Q355-D357 PolarHBondContact O-N 3.14Å
356	R	43.3	Very low	60.3	Low	174 Å²	174	128.3 Å²	128.3	66%	0.657	61%	0.61	S	S	*	*			trans	-74.9	83.8	169.4	-81.5	-170.9	175	177.4	0	110.3	Y361	R356-Y361 PolarHBondContact NH1-OH 2.85Å
357	D	54.9	Low	62.6	Low	114 Å²	114	124.3 Å²	124.3	61%	0.61	60%	0.603	S	S	*	*			trans	-56.7	139.7	160.4	-176.1	22.3	0	0	0	109.2	Q355 S359 Y360	Q355-D357 VanDerWaalsContact C-N 3.29Å; Q355-D357 PolarHBondContact O-N 3.14Å; D357-S359 WeakPolarHBondContact CB-OG 3.34Å; D357-S359 PolarHBondContact O-N 3.12Å; D357-S359 VanDerWaalsContact O-N 3.09Å; D357-S359 PolarHBondContact OD2-OG 3.42Å; D357-Y360 PolarHBondContact O-N 2.79Å
358	S	65	Low	64.9	Low	49 Å²	49	120.8 Å²	120.8	34%	0.343	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-69.6	-11.4	-169.7	-169.5	0	0	0	0	112.5	Y360 Y361 R418	S358-Y360 VanDerWaalsContact C-N 3.32Å; S358-Y360 PolarHBondContact O-N 3.44Å; S358-Y361 PolarHBondContact O-N 3.3Å; S358-R418 PolarHBondContact OG-NH1 3.47Å
359	S	62.2	Low	67.4	Low	42 Å²	42	113.6 Å²	113.6	29%	0.294	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-52.6	-39.1	173	45	0	0	0	0	114.2	D357 Y361 W362 E363 Y431	D357-S359 WeakPolarHBondContact CB-OG 3.34Å; D357-S359 PolarHBondContact O-N 3.12Å; D357-S359 VanDerWaalsContact O-N 3.09Å; D357-S359 PolarHBondContact OD2-OG 3.42Å; S359-Y361 PolarHBondContact O-N 3.47Å; S359-W362 PolarHBondContact O-N 3.22Å; S359-E363 PolarHBondContact O-N 2.8Å; S359-Y431 WeakPolarHBondContact CB-OH 3.34Å; S359-Y431 PolarHBondContact O-OH 3.19Å
360	Y	61.5	Low	69.7	Low	166 Å²	166	111.1 Å²	111.1	65%	0.651	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-60.9	-27.1	-177	-177.6	-97.4	0	0	0	114.2	D357 S358 W362	D357-Y360 PolarHBondContact O-N 2.79Å; S358-Y360 VanDerWaalsContact C-N 3.32Å; S358-Y360 PolarHBondContact O-N 3.44Å; Y360-W362 VanDerWaalsContact C-N 3.26Å; Y360-W362 PolarHBondContact O-N 3.02Å
361	Y	75	Confident	71.9	Confident	144 Å²	144	107 Å²	107	57%	0.565	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-80.3	-3	-178.3	-73.8	-81.7	0	0	0	114.5	R356 S358 S359	R356-Y361 PolarHBondContact NH1-OH 2.85Å; S358-Y361 PolarHBondContact O-N 3.3Å; S359-Y361 PolarHBondContact O-N 3.47Å
362	W	87.1	Confident	74.3	Confident	91 Å²	91	99.7 Å²	99.7	35%	0.345	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131	-4.3	-172.5	-60.6	84	0	0	0	112.7	S359 Y360 R418 F428 G430 Y431	S359-W362 PolarHBondContact O-N 3.22Å; Y360-W362 VanDerWaalsContact C-N 3.26Å; Y360-W362 PolarHBondContact O-N 3.02Å; W362-R418 HydrophobicContact CD2-CG 3.95Å; W362-R418 HydrophobicContact CE3-CG 4.31Å; W362-R418 HydrophobicContact CG-CG 4.35Å; W362-R418 HydrophobicContact CZ2-CG 4.22Å; W362-F428 HydrophobicContact CE3-CD1 4.34Å; W362-F428 HydrophobicContact CE3-CE1 4.07Å; W362-G430 CarbonylContact O-C 3.56Å; W362-G430 VanDerWaalsContact O-CA 3.24Å; W362-G430 WeakPolarHBondContact O-CA 3.35Å; W362-Y431 HydrophobicContact CB-CD1 4.16Å; W362-Y431 HydrophobicContact CB-CE1 3.77Å; W362-Y431 WeakPolarHBondContact O-CD1 3.41Å; W362-Y431 WeakPolarHBondContact O-CE1 3.22Å; W362-Y431 PolarHBondContact O-N 2.93Å
363	E	92.1	Very high	76.8	Confident	70 Å²	70	98 Å²	98	33%	0.327	49%	0.494	S	S	.	.	B	Isolated β-bridge	trans	-82.6	127.4	170.6	-172.3	166.2	-164.6	0	0	108.7	S359 Y431 T433	S359-E363 PolarHBondContact O-N 2.8Å; E363-Y431 CarbonylContact C-O 3.58Å; E363-Y431 WeakPolarHBondContact CA-O 3.39Å; E363-Y431 HydrophobicContact CB-CE1 4.17Å; E363-Y431 HydrophobicContact CB-CE2 4Å; E363-Y431 HydrophobicContact CG-CE2 4.06Å; E363-T433 WeakPolarHBondContact OE1-CB 3.47Å; E363-T433 VanDerWaalsContact OE1-CG2 3.32Å; E363-T433 WeakPolarHBondContact OE1-CG2 3.49Å; E363-T433 PolarHBondContact OE1-OG1 3.45Å
364	I	92.9	Very high	78.9	Confident	6 Å²	6	94.2 Å²	94.2	3%	0.031	48%	0.48	C	S	.	.			trans	-107.9	133.5	-177.1	-58.6	169.5	0	0	0	107.8	E368 V369 W388 Y431 M432 V440	I364-E368 HydrophobicContact CG2-CB 4.2Å; I364-V369 HydrophobicContact CG2-CG2 3.46Å; I364-V369 VanDerWaalsContact CG2-CG2 3.46Å; I364-W388 HydrophobicContact CD1-CD2 3.94Å; I364-W388 HydrophobicContact CD1-CE3 4.05Å; I364-W388 HydrophobicContact CD1-CH2 3.8Å; I364-W388 HydrophobicContact CD1-CZ2 3.7Å; I364-W388 HydrophobicContact CD1-CZ3 3.99Å; I364-W388 HydrophobicContact CG1-CH2 4.16Å; I364-W388 HydrophobicContact CG1-CZ2 3.71Å; I364-W388 HydrophobicContact CG2-CD2 4.49Å; I364-W388 HydrophobicContact CG2-CG 4.47Å; I364-W388 HydrophobicContact CG2-CZ2 4.34Å; I364-Y431 PolarHBondContact N-O 3.5Å; I364-M432 HydrophobicContact CB-CG 4.31Å; I364-V440 HydrophobicContact CD1-CB 4.05Å; I364-V440 HydrophobicContact CD1-CG1 4.33Å; I364-V440 HydrophobicContact CD1-CG2 3.94Å
365	E	91.6	Very high	81.1	Confident	91 Å²	91	94.9 Å²	94.9	43%	0.425	47%	0.465	S	S	.	.			trans	-74.5	138	174.4	-55	-148.8	132.5	0	0	110.8	S367 E368 K434	E365-S367 PolarHBondContact O-N 3.39Å; E365-S367 VanDerWaalsContact O-N 3.12Å; E365-E368 HydrophobicContact CB-CG 4.28Å; E365-E368 WeakPolarHBondContact O-CB 3.32Å; E365-E368 PolarHBondContact O-N 3.43Å; E365-K434 IonicContact OE1-NZ 3.59Å; E365-K434 PolarHBondContact OE1-NZ 2.89Å
366	A	90.7	Very high	83.2	Confident	31 Å²	31	87.5 Å²	87.5	26%	0.256	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-59	-29.3	-175.9	0	0	0	0	0	113.4	E368 V369 M432	A366-E368 VanDerWaalsContact C-N 3.27Å; A366-E368 PolarHBondContact O-N 2.87Å; A366-V369 PolarHBondContact O-N 3.43Å; A366-M432 HydrophobicContact CB-CE 3.6Å
367	S	92.2	Very high	85.2	Confident	106 Å²	106	81.6 Å²	81.6	74%	0.741	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-64.4	-22.6	174	42.1	0	0	0	0	114.4	E365	E365-S367 PolarHBondContact O-N 3.39Å; E365-S367 VanDerWaalsContact O-N 3.12Å
368	E	92.9	Very high	86.2	Confident	96 Å²	96	78.2 Å²	78.2	45%	0.449	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-81.5	-19.2	177.6	-60.9	177.7	-163	0	0	112.9	I364 E365 A366 W388	I364-E368 HydrophobicContact CG2-CB 4.2Å; E365-E368 HydrophobicContact CB-CG 4.28Å; E365-E368 WeakPolarHBondContact O-CB 3.32Å; E365-E368 PolarHBondContact O-N 3.43Å; A366-E368 VanDerWaalsContact C-N 3.27Å; A366-E368 PolarHBondContact O-N 2.87Å; E368-W388 PolarHBondContact OE2-NE1 2.94Å
369	V	94.2	Very high	86.5	Confident	11 Å²	11	79.6 Å²	79.6	7%	0.067	43%	0.426	C	S	.	.			trans	-106.3	103.2	-169.4	-174	0	0	0	0	110.6	I364 A366 L371 W388 V394 M432	I364-V369 HydrophobicContact CG2-CG2 3.46Å; I364-V369 VanDerWaalsContact CG2-CG2 3.46Å; A366-V369 PolarHBondContact O-N 3.43Å; V369-L371 HydrophobicContact CG1-CD2 4.18Å; V369-L371 PolarHBondContact O-N 3.45Å; V369-L371 VanDerWaalsContact O-N 3.11Å; V369-W388 HydrophobicContact CG2-CB 4.21Å; V369-W388 HydrophobicContact CG2-CG 4.15Å; V369-V394 HydrophobicContact CG1-CG2 3.72Å; V369-M432 HydrophobicContact CB-SD 4.46Å; V369-M432 HydrophobicContact CG2-SD 4.16Å
370	M	95.6	Very high	86.8	Confident	136 Å²	136	78.9 Å²	78.9	67%	0.67	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	101	174.6	-176.2	-177.2	-68.4	0	0	110	G386 K387	M370-G386 CarbonylContact O-C 3.59Å; M370-G386 WeakPolarHBondContact O-CA 3.48Å; M370-K387 HydrophobicContact CB-CB 4.36Å; M370-K387 PolarHBondContact N-O 3.32Å; M370-K387 PolarHBondContact O-N 2.95Å
371	L	95	Very high	87.8	Confident	75 Å²	75	71 Å²	71	39%	0.393	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	140.2	172.2	-60.7	177.9	0	0	0	110.8	V369 V394 I396	V369-L371 HydrophobicContact CG1-CD2 4.18Å; V369-L371 PolarHBondContact O-N 3.45Å; V369-L371 VanDerWaalsContact O-N 3.11Å; L371-V394 HydrophobicContact CD2-CB 3.77Å; L371-V394 HydrophobicContact CD2-CG1 3.88Å; L371-V394 HydrophobicContact CD2-CG2 3.82Å; L371-I396 HydrophobicContact CD1-CD1 3.89Å
372	S	93.6	Very high	88.5	Confident	68 Å²	68	65 Å²	65	48%	0.476	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	-116.9	179.7	69.8	0	0	0	0	111.2	K385	S372-K385 WeakPolarHBondContact CA-O 3.39Å; S372-K385 WeakPolarHBondContact CB-O 3.3Å; S372-K385 PolarHBondContact N-O 3.08Å; S372-K385 VanDerWaalsContact OG-C 3.29Å; S372-K385 PolarHBondContact OG-O 3.22Å
373	T	94.8	Very high	88.8	Confident	86 Å²	86	62.6 Å²	62.6	53%	0.528	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	135.6	-176.3	54	0	0	0	0	112.4	I375 Y384 K385	T373-I375 PolarHBondContact O-N 3.44Å; T373-Y384 CarbonylContact O-C 3.44Å; T373-Y384 VanDerWaalsContact O-CA 3.3Å; T373-Y384 WeakPolarHBondContact O-CA 3.36Å; T373-K385 PolarHBondContact O-N 3.2Å
374	R	95.5	Very high	89	Confident	160 Å²	160	62.1 Å²	62.1	60%	0.604	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	120.3	166.6	176.3	175.3	164.5	-171.3	-6.2	109	T382 Y384	R374-T382 HydrophobicContact CG-CG2 3.71Å; R374-Y384 HydrophobicContact CB-CD1 3.91Å; R374-Y384 HydrophobicContact CB-CE1 3.75Å; R374-Y384 HydrophobicContact CG-CE1 4.22Å
375	I	91.4	Very high	89.1	Confident	89 Å²	89	63.4 Å²	63.4	46%	0.456	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-39.8	-176.3	-55.7	-56.2	0	0	0	111.6	T373 V383 K385 W443	T373-I375 PolarHBondContact O-N 3.44Å; I375-V383 HydrophobicContact CB-CG1 4.39Å; I375-V383 PolarHBondContact N-O 3.09Å; I375-K385 HydrophobicContact CD1-CB 4.1Å; I375-K385 HydrophobicContact CG1-CB 4.28Å; I375-W443 HydrophobicContact CD1-CH2 3.71Å; I375-W443 HydrophobicContact CD1-CZ3 4.24Å; I375-W443 HydrophobicContact CG1-CH2 3.81Å; I375-W443 HydrophobicContact CG1-CZ3 3.89Å; I375-W443 HydrophobicContact CG2-CH2 4.46Å
376	G	86.4	Confident	89.3	Confident	33 Å²	33	59 Å²	59	34%	0.34	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	164	-179	0	0	0	0	0	112.4	T382 V383	G376-T382 CarbonylContact O-C 3.55Å; G376-T382 WeakPolarHBondContact O-CA 3.31Å; G376-T382 WeakPolarHBondContact O-CG2 3.34Å; G376-V383 PolarHBondContact N-O 3.09Å; G376-V383 PolarHBondContact O-N 3.3Å
377	S	85.5	Confident	89.6	Confident	50 Å²	50	63.5 Å²	63.5	35%	0.35	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.8	172.8	-164.1	0	0	0	0	109	T382 K398	S377-T382 PolarHBondContact OG-OG1 2.76Å; S377-K398 WeakPolarHBondContact OG-CE 3.43Å; S377-K398 PolarHBondContact OG-NZ 2.87Å
378	G	75.4	Confident	89.8	Confident	42 Å²	42	60.6 Å²	60.6	43%	0.433	33%	0.328	S	S	.	.			trans	-99.3	-171.1	174.1	0	0	0	0	0	111.3	F380 G381 K398	G378-F380 PolarHBondContact O-N 3.42Å; G378-G381 PolarHBondContact N-O 2.72Å; G378-K398 WeakPolarHBondContact O-CE 3.34Å; G378-K398 PolarHBondContact O-NZ 3.01Å
379	S	70	Confident	89.8	Confident	78 Å²	78	64.2 Å²	64.2	55%	0.545	34%	0.344	S	S	.	.	S	Bend	trans	-63.8	-25.5	172.3	38.4	0	0	0	0	113.6
380	F	69.9	Low	89.9	Confident	27 Å²	27	65.7 Å²	65.7	12%	0.118	36%	0.362	C	S	.	.	S	Bend	trans	-100.3	-19	-170.4	-44.8	-51.2	0	0	0	114.3	G378 L397 K398 K513 W516	G378-F380 PolarHBondContact O-N 3.42Å; F380-L397 WeakPolarHBondContact O-CA 3.28Å; F380-K398 PolarHBondContact O-N 3.48Å; F380-K398 VanDerWaalsContact O-N 3.12Å; F380-K513 HydrophobicContact CD1-CD 4.29Å; F380-K513 HydrophobicContact CD1-CG 3.79Å; F380-K513 HydrophobicContact CE1-CB 4.23Å; F380-K513 HydrophobicContact CE1-CD 3.44Å; F380-K513 VanDerWaalsContact CE1-CD 3.44Å; F380-K513 HydrophobicContact CE1-CG 3.35Å; F380-K513 HydrophobicContact CE2-CD 4.17Å; F380-K513 HydrophobicContact CZ-CD 3.36Å; F380-K513 HydrophobicContact CZ-CG 3.83Å; F380-W516 HydrophobicContact CB-CZ3 3.89Å; F380-W516 HydrophobicContact CD1-CZ3 4.33Å; F380-W516 WeakPolarHBondContact O-CZ3 3.46Å
381	G	82.1	Confident	89.9	Confident	2 Å²	2	62.2 Å²	62.2	2%	0.021	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174	173.1	-165.6	0	0	0	0	0	112.8	G378 I396	G378-G381 PolarHBondContact N-O 2.72Å; G381-I396 CarbonylContact C-O 3.59Å; G381-I396 WeakPolarHBondContact CA-O 3.46Å
382	T	90.5	Very high	90	Very high	18 Å²	18	58.7 Å²	58.7	11%	0.11	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.3	171.4	-57.6	0	0	0	0	108.5	R374 G376 S377 Y384 I396	R374-T382 HydrophobicContact CG-CG2 3.71Å; G376-T382 CarbonylContact O-C 3.55Å; G376-T382 WeakPolarHBondContact O-CA 3.31Å; G376-T382 WeakPolarHBondContact O-CG2 3.34Å; S377-T382 PolarHBondContact OG-OG1 2.76Å; T382-Y384 HydrophobicContact CG2-CD2 4.14Å; T382-Y384 HydrophobicContact CG2-CE2 3.4Å; T382-I396 PolarHBondContact N-O 2.97Å; T382-I396 PolarHBondContact O-N 3.08Å
383	V	92.6	Very high	90	Very high	40 Å²	40	56.1 Å²	56.1	24%	0.242	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.6	179.3	-178.2	0	0	0	0	109	I375 G376 A393 V394 K395	I375-V383 HydrophobicContact CB-CG1 4.39Å; I375-V383 PolarHBondContact N-O 3.09Å; G376-V383 PolarHBondContact N-O 3.09Å; G376-V383 PolarHBondContact O-N 3.3Å; V383-A393 HydrophobicContact CG1-CB 4.47Å; V383-V394 WeakPolarHBondContact CA-O 3.18Å; V383-K395 HydrophobicContact CG2-CB 4.2Å; V383-K395 HydrophobicContact CG2-CD 4.29Å; V383-K395 HydrophobicContact CG2-CG 3.92Å
384	Y	95.5	Very high	90	Very high	59 Å²	59	52 Å²	52	23%	0.231	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.1	174.2	-62.8	-101.4	0	0	0	109.1	T373 R374 T382 V394 I396	T373-Y384 CarbonylContact O-C 3.44Å; T373-Y384 VanDerWaalsContact O-CA 3.3Å; T373-Y384 WeakPolarHBondContact O-CA 3.36Å; R374-Y384 HydrophobicContact CB-CD1 3.91Å; R374-Y384 HydrophobicContact CB-CE1 3.75Å; R374-Y384 HydrophobicContact CG-CE1 4.22Å; T382-Y384 HydrophobicContact CG2-CD2 4.14Å; T382-Y384 HydrophobicContact CG2-CE2 3.4Å; Y384-V394 PolarHBondContact N-O 3.45Å; Y384-V394 PolarHBondContact O-N 3.05Å; Y384-I396 HydrophobicContact CD2-CD1 4.06Å; Y384-I396 HydrophobicContact CE2-CD1 3.88Å
385	K	96.3	Very high	89.8	Confident	33 Å²	33	45.4 Å²	45.4	14%	0.143	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	136.7	157.7	-174.4	168.4	-175.2	170.1	0	106.8	S372 T373 I375 D391 W443 E445	S372-K385 WeakPolarHBondContact CA-O 3.39Å; S372-K385 WeakPolarHBondContact CB-O 3.3Å; S372-K385 PolarHBondContact N-O 3.08Å; S372-K385 VanDerWaalsContact OG-C 3.29Å; S372-K385 PolarHBondContact OG-O 3.22Å; T373-K385 PolarHBondContact O-N 3.2Å; I375-K385 HydrophobicContact CD1-CB 4.1Å; I375-K385 HydrophobicContact CG1-CB 4.28Å; K385-D391 WeakPolarHBondContact CE-OD2 3.45Å; K385-D391 IonicContact NZ-OD2 2.68Å; K385-D391 PolarHBondContact NZ-OD2 3.38Å; K385-W443 HydrophobicContact CB-CE3 4.1Å; K385-W443 HydrophobicContact CB-CH2 4.16Å; K385-W443 HydrophobicContact CB-CZ3 3.84Å; K385-W443 HydrophobicContact CD-CD2 3.89Å; K385-W443 HydrophobicContact CD-CE3 4.21Å; K385-W443 HydrophobicContact CD-CG 4.45Å; K385-W443 HydrophobicContact CD-CH2 4.23Å; K385-W443 HydrophobicContact CD-CZ2 3.87Å; K385-W443 HydrophobicContact CD-CZ3 4.38Å; K385-W443 HydrophobicContact CG-CD2 4.04Å; K385-W443 HydrophobicContact CG-CE3 3.92Å; K385-W443 HydrophobicContact CG-CH2 4.43Å; K385-W443 HydrophobicContact CG-CZ3 4.13Å; K385-E445 IonicContact NZ-OE1 2.87Å; K385-E445 PolarHBondContact NZ-OE1 3.47Å; K385-E445 IonicContact NZ-OE2 3.63Å
386	G	96.2	Very high	89.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	175.3	176.3	0	0	0	0	0	111.7	M370 V392	M370-G386 CarbonylContact O-C 3.59Å; M370-G386 WeakPolarHBondContact O-CA 3.48Å; G386-V392 PolarHBondContact N-O 3.4Å; G386-V392 WeakPolarHBondContact O-CG2 3.37Å; G386-V392 PolarHBondContact O-N 2.8Å
387	K	96.9	Very high	89.8	Confident	125 Å²	125	41 Å²	41	54%	0.543	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.7	171.2	-69.9	-172.2	172.6	-173	0	111	M370 G390 D391	M370-K387 HydrophobicContact CB-CB 4.36Å; M370-K387 PolarHBondContact N-O 3.32Å; M370-K387 PolarHBondContact O-N 2.95Å; K387-G390 CarbonylContact C-O 3.56Å; K387-G390 VanDerWaalsContact CA-O 3.29Å; K387-G390 WeakPolarHBondContact CA-O 3.43Å; K387-D391 WeakPolarHBondContact CE-OD1 3.45Å
388	W	95	Very high	89.6	Confident	45 Å²	45	44.2 Å²	44.2	17%	0.17	24%	0.238	C	C	.	.	S	Bend	trans	-155.6	107.3	171.8	-177.9	80.1	0	0	0	107.8	I364 E368 V369 G390 V392 M429	I364-W388 HydrophobicContact CD1-CD2 3.94Å; I364-W388 HydrophobicContact CD1-CE3 4.05Å; I364-W388 HydrophobicContact CD1-CH2 3.8Å; I364-W388 HydrophobicContact CD1-CZ2 3.7Å; I364-W388 HydrophobicContact CD1-CZ3 3.99Å; I364-W388 HydrophobicContact CG1-CH2 4.16Å; I364-W388 HydrophobicContact CG1-CZ2 3.71Å; I364-W388 HydrophobicContact CG2-CD2 4.49Å; I364-W388 HydrophobicContact CG2-CG 4.47Å; I364-W388 HydrophobicContact CG2-CZ2 4.34Å; E368-W388 PolarHBondContact OE2-NE1 2.94Å; V369-W388 HydrophobicContact CG2-CB 4.21Å; V369-W388 HydrophobicContact CG2-CG 4.15Å; W388-G390 PolarHBondContact N-O 3.03Å; W388-G390 PolarHBondContact O-N 3.06Å; W388-V392 HydrophobicContact CB-CG1 4.29Å; W388-V392 HydrophobicContact CB-CG2 4.11Å; W388-V392 WeakPolarHBondContact O-CG1 3.34Å; W388-M429 HydrophobicContact CE3-CE 4.04Å; W388-M429 HydrophobicContact CZ3-CB 4.09Å; W388-M429 HydrophobicContact CZ3-CE 4.07Å
389	H	94.2	Very high	89.7	Confident	171 Å²	171	43.1 Å²	43.1	79%	0.792	22%	0.223	S	C	*	.	S	Bend	trans	49.5	23.6	-169.7	-60.8	-61.7	0	0	0	115.8
390	G	95	Very high	90.1	Very high	42 Å²	42	45.6 Å²	45.6	43%	0.433	23%	0.234	S	C	.	.	S	Bend	trans	142	-175.7	-170.7	0	0	0	0	0	110.4	K387 W388	K387-G390 CarbonylContact C-O 3.56Å; K387-G390 VanDerWaalsContact CA-O 3.29Å; K387-G390 WeakPolarHBondContact CA-O 3.43Å; W388-G390 PolarHBondContact N-O 3.03Å; W388-G390 PolarHBondContact O-N 3.06Å
391	D	96.3	Very high	90.6	Very high	64 Å²	64	51 Å²	51	34%	0.342	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	127.4	174.8	-79.7	-6.1	0	0	0	110.6	K385 K387 W443	K385-D391 WeakPolarHBondContact CE-OD2 3.45Å; K385-D391 IonicContact NZ-OD2 2.68Å; K385-D391 PolarHBondContact NZ-OD2 3.38Å; K387-D391 WeakPolarHBondContact CE-OD1 3.45Å; D391-W443 HydrophobicContact CB-CB 4.03Å; D391-W443 HydrophobicContact CB-CG 4.31Å; D391-W443 VanDerWaalsContact O-CB 3.24Å; D391-W443 WeakPolarHBondContact O-CB 3.45Å; D391-W443 PolarHBondContact O-N 3.41Å
392	V	96.3	Very high	90.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156.5	-175.9	-60.8	0	0	0	0	111.8	G386 W388 V394 M429 V440	G386-V392 PolarHBondContact N-O 3.4Å; G386-V392 WeakPolarHBondContact O-CG2 3.37Å; G386-V392 PolarHBondContact O-N 2.8Å; W388-V392 HydrophobicContact CB-CG1 4.29Å; W388-V392 HydrophobicContact CB-CG2 4.11Å; W388-V392 WeakPolarHBondContact O-CG1 3.34Å; V392-V394 HydrophobicContact CG2-CG2 3.89Å; V392-M429 HydrophobicContact CG1-CE 3.81Å; V392-M429 HydrophobicContact CG1-SD 3.62Å; V392-V440 HydrophobicContact CB-CG1 3.85Å; V392-V440 HydrophobicContact CG1-CG1 4.16Å; V392-V440 HydrophobicContact CG2-CG1 3.98Å
393	A	95.2	Very high	90.2	Very high	14 Å²	14	55.2 Å²	55.2	12%	0.116	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	123.3	166.1	0	0	0	0	0	109.1	V383 V440 T441 W443	V383-A393 HydrophobicContact CG1-CB 4.47Å; A393-V440 WeakPolarHBondContact O-CA 3.4Å; A393-T441 PolarHBondContact N-O 2.84Å; A393-T441 PolarHBondContact O-N 2.95Å; A393-W443 HydrophobicContact CB-CE3 4.03Å
394	V	94.4	Very high	89.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.7	179.8	-170.9	0	0	0	0	109	V369 L371 V383 Y384 V392 I396 M432 A438 V440	V369-V394 HydrophobicContact CG1-CG2 3.72Å; L371-V394 HydrophobicContact CD2-CB 3.77Å; L371-V394 HydrophobicContact CD2-CG1 3.88Å; L371-V394 HydrophobicContact CD2-CG2 3.82Å; V383-V394 WeakPolarHBondContact CA-O 3.18Å; Y384-V394 PolarHBondContact N-O 3.45Å; Y384-V394 PolarHBondContact O-N 3.05Å; V392-V394 HydrophobicContact CG2-CG2 3.89Å; V394-I396 HydrophobicContact CG1-CG1 4.35Å; V394-M432 HydrophobicContact CG1-SD 4.19Å; V394-A438 HydrophobicContact CG1-CB 3.98Å; V394-V440 HydrophobicContact CG1-CG2 4.39Å; V394-V440 HydrophobicContact CG2-CG2 4.48Å
395	K	91.6	Very high	89.1	Confident	21 Å²	21	61.4 Å²	61.4	9%	0.091	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	92.6	179.7	-172.4	174.8	-167.5	176.9	0	109.5	V383 L397 A438 I439 D506 L509	V383-K395 HydrophobicContact CG2-CB 4.2Å; V383-K395 HydrophobicContact CG2-CD 4.29Å; V383-K395 HydrophobicContact CG2-CG 3.92Å; K395-L397 HydrophobicContact CG-CD2 4.23Å; K395-A438 VanDerWaalsContact O-CA 3.28Å; K395-A438 WeakPolarHBondContact O-CA 3.41Å; K395-I439 PolarHBondContact N-O 3.49Å; K395-I439 PolarHBondContact O-N 3.24Å; K395-D506 IonicContact NZ-OD1 2.83Å; K395-D506 PolarHBondContact NZ-OD1 3.21Å; K395-D506 IonicContact NZ-OD2 3.53Å; K395-D506 PolarHBondContact NZ-OD2 2.86Å; K395-L509 HydrophobicContact CD-CD1 4.34Å
396	I	91.5	Very high	88.2	Confident	23 Å²	23	61.1 Å²	61.1	12%	0.118	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	125.4	173.3	-68.9	169.5	0	0	0	108.3	L371 G381 T382 Y384 V394 N436 A438	L371-I396 HydrophobicContact CD1-CD1 3.89Å; G381-I396 CarbonylContact C-O 3.59Å; G381-I396 WeakPolarHBondContact CA-O 3.46Å; T382-I396 PolarHBondContact N-O 2.97Å; T382-I396 PolarHBondContact O-N 3.08Å; Y384-I396 HydrophobicContact CD2-CD1 4.06Å; Y384-I396 HydrophobicContact CE2-CD1 3.88Å; V394-I396 HydrophobicContact CG1-CG1 4.35Å; I396-N436 HydrophobicContact CG2-CB 4.01Å; I396-A438 HydrophobicContact CG1-CB 3.97Å
397	L	86.2	Confident	87.5	Confident	8 Å²	8	63.1 Å²	63.1	4%	0.042	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	149.2	-176.8	-54.1	-175.2	0	0	0	110.9	F380 K395 V399 F410 L437 W516	F380-L397 WeakPolarHBondContact O-CA 3.28Å; K395-L397 HydrophobicContact CG-CD2 4.23Å; L397-V399 PolarHBondContact O-N 2.87Å; L397-F410 HydrophobicContact CD1-CD2 3.6Å; L397-F410 HydrophobicContact CD1-CE2 3.58Å; L397-L437 HydrophobicContact CB-CB 4.31Å; L397-L437 WeakPolarHBondContact CB-O 3.48Å; L397-L437 HydrophobicContact CD1-CB 4.22Å; L397-L437 HydrophobicContact CG-CB 4.45Å; L397-L437 WeakPolarHBondContact CG-O 3.41Å; L397-L437 PolarHBondContact N-O 3.29Å; L397-W516 HydrophobicContact CB-CH2 3.92Å; L397-W516 HydrophobicContact CB-CZ2 4.28Å; L397-W516 HydrophobicContact CD1-CH2 3.85Å; L397-W516 HydrophobicContact CD1-CZ2 3.83Å; L397-W516 HydrophobicContact CD2-CH2 4.12Å; L397-W516 HydrophobicContact CG-CH2 4.16Å
398	K	81.5	Confident	86.8	Confident	117 Å²	117	61.4 Å²	61.4	51%	0.509	33%	0.331	S	S	.	.	S	Bend	trans	-81.8	54.9	-179.4	-76.2	175.4	178	176	0	112.2	S377 G378 F380	S377-K398 WeakPolarHBondContact OG-CE 3.43Å; S377-K398 PolarHBondContact OG-NZ 2.87Å; G378-K398 WeakPolarHBondContact O-CE 3.34Å; G378-K398 PolarHBondContact O-NZ 3.01Å; F380-K398 PolarHBondContact O-N 3.48Å; F380-K398 VanDerWaalsContact O-N 3.12Å
399	V	77.4	Confident	86	Confident	18 Å²	18	59.4 Å²	59.4	11%	0.109	32%	0.324	C	S	.	.			trans	-135.5	113	177.2	-174.8	0	0	0	0	107.6	L397 P402 W516	L397-V399 PolarHBondContact O-N 2.87Å; V399-P402 HydrophobicContact CG1-CB 3.81Å; V399-W516 HydrophobicContact CG2-CD2 4.33Å; V399-W516 HydrophobicContact CG2-CH2 4.49Å; V399-W516 HydrophobicContact CG2-CZ2 3.95Å
400	V	76.7	Confident	85.5	Confident	130 Å²	130	51.4 Å²	51.4	79%	0.788	29%	0.287	S	S	*	.	S	Bend	trans	-78.6	-57.2	178	-177.8	0	0	0	0	109.1	P402	V400-P402 WeakPolarHBondContact O-CD 3.35Å
401	D	81.3	Confident	84.9	Confident	140 Å²	140	55.3 Å²	55.3	75%	0.749	29%	0.289	S	S	*	.	S	Bend	trans	-114.1	96.2	178.8	-60.9	-63.3	0	0	0	110.4	T403	D401-T403 PolarHBondContact O-N 3.01Å
402	P	80.6	Confident	84.1	Confident	47 Å²	47	55.7 Å²	55.7	31%	0.305	29%	0.291	S	S	.	.			trans	-74.8	126.4	-179.9	29	-33.7	0	0	0	111.7	V399 V400 Q406 L437	V399-P402 HydrophobicContact CG1-CB 3.81Å; V400-P402 WeakPolarHBondContact O-CD 3.35Å; P402-Q406 HydrophobicContact CB-CB 4.31Å; P402-L437 HydrophobicContact CB-CD1 3.77Å; P402-L437 HydrophobicContact CG-CD1 3.95Å; P402-L437 HydrophobicContact CG-CG 4.26Å
403	T	83.2	Confident	83.1	Confident	63 Å²	63	56.5 Å²	56.5	39%	0.387	29%	0.294	S	S	.	.			trans	-57.8	154.2	165.8	55.6	0	0	0	0	111.3	D401 E405 Q406 L407	D401-T403 PolarHBondContact O-N 3.01Å; T403-E405 PolarHBondContact O-N 3.28Å; T403-E405 VanDerWaalsContact O-N 3.13Å; T403-Q406 WeakPolarHBondContact O-CB 3.36Å; T403-Q406 PolarHBondContact O-N 3.07Å; T403-Q406 WeakPolarHBondContact OG1-CB 3.36Å; T403-Q406 WeakPolarHBondContact OG1-CG 3.41Å; T403-Q406 PolarHBondContact OG1-N 3.4Å; T403-Q406 PolarHBondContact OG1-OE1 2.88Å; T403-L407 PolarHBondContact O-N 3.39Å
404	P	84.9	Confident	82.7	Confident	96 Å²	96	56.2 Å²	56.2	62%	0.623	29%	0.291	S	S	*	.	H	α-helix	trans	-52.4	-35.9	176.3	-27.4	36	0	0	0	113.3	L407 Q408	P404-L407 PolarHBondContact O-N 2.88Å; P404-Q408 WeakPolarHBondContact O-CB 3.42Å; P404-Q408 PolarHBondContact O-N 3.08Å
405	E	79.8	Confident	82.1	Confident	132 Å²	132	57.9 Å²	57.9	62%	0.617	31%	0.305	S	S	*	.	H	α-helix	trans	-68	-41.3	177.4	-63.3	68.2	-150.1	0	0	111.9	T403 A409	T403-E405 PolarHBondContact O-N 3.28Å; T403-E405 VanDerWaalsContact O-N 3.13Å; E405-A409 WeakPolarHBondContact O-CB 3.34Å; E405-A409 PolarHBondContact O-N 3.17Å
406	Q	78.3	Confident	81.7	Confident	28 Å²	28	59 Å²	59	13%	0.131	31%	0.314	C	S	.	.	H	α-helix	trans	-67.4	-41.6	174.7	-72.7	167.5	-38.8	0	0	111.5	P402 T403 A409 F410	P402-Q406 HydrophobicContact CB-CB 4.31Å; T403-Q406 WeakPolarHBondContact O-CB 3.36Å; T403-Q406 PolarHBondContact O-N 3.07Å; T403-Q406 WeakPolarHBondContact OG1-CB 3.36Å; T403-Q406 WeakPolarHBondContact OG1-CG 3.41Å; T403-Q406 PolarHBondContact OG1-N 3.4Å; T403-Q406 PolarHBondContact OG1-OE1 2.88Å; Q406-A409 PolarHBondContact O-N 3.04Å; Q406-F410 WeakPolarHBondContact O-CB 3.13Å; Q406-F410 PolarHBondContact O-N 2.9Å
407	L	82.2	Confident	81.4	Confident	41 Å²	41	58.5 Å²	58.5	22%	0.215	31%	0.311	C	S	.	.	H	α-helix	trans	-65.7	-39.8	176.1	-175.1	63.8	0	0	0	111.5	T403 P404 F410 R411 L437	T403-L407 PolarHBondContact O-N 3.39Å; P404-L407 PolarHBondContact O-N 2.88Å; L407-F410 HydrophobicContact CD1-CD1 4.49Å; L407-F410 PolarHBondContact O-N 3.25Å; L407-R411 WeakPolarHBondContact O-CG 3.32Å; L407-R411 PolarHBondContact O-N 2.95Å; L407-L437 HydrophobicContact CD1-CD2 3.96Å
408	Q	82	Confident	81.4	Confident	90 Å²	90	61.9 Å²	61.9	42%	0.421	32%	0.323	S	S	.	.	H	α-helix	trans	-68.3	-38.4	174.6	-171.2	57.9	46.5	0	0	111.9	P404 R411 N412	P404-Q408 WeakPolarHBondContact O-CB 3.42Å; P404-Q408 PolarHBondContact O-N 3.08Å; Q408-R411 PolarHBondContact O-N 3.15Å; Q408-N412 PolarHBondContact NE2-OD1 3.31Å; Q408-N412 WeakPolarHBondContact O-CB 3.22Å; Q408-N412 PolarHBondContact O-N 2.73Å; Q408-N412 PolarHBondContact O-ND2 2.84Å; Q408-N412 PolarHBondContact O-OD1 3.05Å
409	A	77.5	Confident	81.5	Confident	2 Å²	2	63.3 Å²	63.3	2%	0.017	33%	0.329	C	S	.	.	H	α-helix	trans	-61.6	-43.4	172.7	0	0	0	0	0	111.6	E405 Q406 N412 E413	E405-A409 WeakPolarHBondContact O-CB 3.34Å; E405-A409 PolarHBondContact O-N 3.17Å; Q406-A409 PolarHBondContact O-N 3.04Å; A409-N412 PolarHBondContact O-N 3.28Å; A409-E413 PolarHBondContact O-N 3.41Å
410	F	82.9	Confident	82.1	Confident	3 Å²	3	62.8 Å²	62.8	1%	0.013	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-47.2	174.9	176.1	-101.7	0	0	0	112.3	L397 Q406 L407 N412 E413 V414 Y431 T433 L437 I439	L397-F410 HydrophobicContact CD1-CD2 3.6Å; L397-F410 HydrophobicContact CD1-CE2 3.58Å; Q406-F410 WeakPolarHBondContact O-CB 3.13Å; Q406-F410 PolarHBondContact O-N 2.9Å; L407-F410 HydrophobicContact CD1-CD1 4.49Å; L407-F410 PolarHBondContact O-N 3.25Å; F410-N412 VanDerWaalsContact C-N 3.31Å; F410-N412 PolarHBondContact O-N 2.86Å; F410-E413 PolarHBondContact O-N 3.19Å; F410-V414 HydrophobicContact CD1-CG2 4.43Å; F410-V414 HydrophobicContact CE1-CG2 4.11Å; F410-V414 HydrophobicContact CE2-CG2 4.35Å; F410-V414 HydrophobicContact CZ-CG2 4.08Å; F410-V414 WeakPolarHBondContact O-CG2 3.25Å; F410-V414 PolarHBondContact O-N 3.35Å; F410-Y431 AromaticContact CE1-CD2 3.72Å; F410-Y431 HydrophobicContact CE1-CD2 3.72Å; F410-Y431 HydrophobicContact CE1-CE2 4.47Å; F410-Y431 HydrophobicContact CE1-CG 4.38Å; F410-Y431 HydrophobicContact CZ-CD2 4.18Å; F410-Y431 HydrophobicContact CZ-CG 4.48Å; F410-T433 HydrophobicContact CE1-CG2 4.22Å; F410-L437 HydrophobicContact CD1-CD2 4.25Å; F410-L437 HydrophobicContact CE1-CD2 4.16Å; F410-L437 HydrophobicContact CE2-CB 4.47Å; F410-L437 HydrophobicContact CG-CD1 4.44Å; F410-I439 HydrophobicContact CE2-CD1 4.19Å; F410-I439 HydrophobicContact CE2-CG1 3.77Å; F410-I439 HydrophobicContact CZ-CG1 4.36Å
411	R	83.2	Confident	82.9	Confident	125 Å²	125	66.8 Å²	66.8	47%	0.472	33%	0.327	S	S	.	.	H	α-helix	trans	-59.1	-39.9	174.3	-75	174.2	176.6	162.2	0.1	112.6	L407 Q408 A415	L407-R411 WeakPolarHBondContact O-CG 3.32Å; L407-R411 PolarHBondContact O-N 2.95Å; Q408-R411 PolarHBondContact O-N 3.15Å; R411-A415 WeakPolarHBondContact O-CB 3.44Å; R411-A415 PolarHBondContact O-N 3.39Å
412	N	79	Confident	83.6	Confident	72 Å²	72	62.2 Å²	62.2	39%	0.385	30%	0.301	S	S	.	.	H	α-helix	trans	-63.4	-44.5	176.7	-69.3	-12.1	0	0	0	111.5	Q408 A409 F410 A415 V416	Q408-N412 PolarHBondContact NE2-OD1 3.31Å; Q408-N412 WeakPolarHBondContact O-CB 3.22Å; Q408-N412 PolarHBondContact O-N 2.73Å; Q408-N412 PolarHBondContact O-ND2 2.84Å; Q408-N412 PolarHBondContact O-OD1 3.05Å; A409-N412 PolarHBondContact O-N 3.28Å; F410-N412 VanDerWaalsContact C-N 3.31Å; F410-N412 PolarHBondContact O-N 2.86Å; N412-A415 WeakPolarHBondContact O-CB 3.36Å; N412-A415 PolarHBondContact O-N 3.2Å; N412-V416 WeakPolarHBondContact O-CG2 3.17Å; N412-V416 PolarHBondContact O-N 3.1Å; N412-V416 VanDerWaalsContact O-N 3.14Å
413	E	77.1	Confident	84.4	Confident	16 Å²	16	63.8 Å²	63.8	8%	0.075	31%	0.31	C	S	.	.	H	α-helix	trans	-66.1	-44.1	175.9	-71	-47.7	130.6	0	0	112.6	A409 F410 A415 V416 L417 G508 T511 V512	A409-E413 PolarHBondContact O-N 3.41Å; F410-E413 PolarHBondContact O-N 3.19Å; E413-A415 PolarHBondContact O-N 3.41Å; E413-V416 CarbonylContact O-C 3.57Å; E413-V416 WeakPolarHBondContact O-CA 3.32Å; E413-V416 WeakPolarHBondContact O-CB 3.34Å; E413-V416 PolarHBondContact O-N 3.14Å; E413-L417 WeakPolarHBondContact O-CG 3.3Å; E413-L417 PolarHBondContact O-N 3.49Å; E413-G508 VanDerWaalsContact OE2-CA 3.27Å; E413-G508 WeakPolarHBondContact OE2-CA 3.09Å; E413-T511 PolarHBondContact OE1-OG1 2.89Å; E413-V512 HydrophobicContact CB-CG2 4.42Å; E413-V512 HydrophobicContact CG-CG2 3.4Å; E413-V512 VanDerWaalsContact CG-CG2 3.4Å
414	V	85.3	Confident	85	Confident	8 Å²	8	60.9 Å²	60.9	5%	0.048	29%	0.292	C	S	.	.	H	α-helix	trans	-54.5	-41.9	172.7	163.3	0	0	0	0	110.8	F410 V416 L417 R418 F428 Y431	F410-V414 HydrophobicContact CD1-CG2 4.43Å; F410-V414 HydrophobicContact CE1-CG2 4.11Å; F410-V414 HydrophobicContact CE2-CG2 4.35Å; F410-V414 HydrophobicContact CZ-CG2 4.08Å; F410-V414 WeakPolarHBondContact O-CG2 3.25Å; F410-V414 PolarHBondContact O-N 3.35Å; V414-V416 VanDerWaalsContact C-N 3.26Å; V414-V416 PolarHBondContact O-N 2.98Å; V414-L417 PolarHBondContact O-N 2.97Å; V414-R418 WeakPolarHBondContact O-CB 3.22Å; V414-R418 PolarHBondContact O-N 2.81Å; V414-F428 HydrophobicContact CG1-CZ 3.95Å; V414-Y431 HydrophobicContact CB-CD1 4.47Å; V414-Y431 HydrophobicContact CG1-CD1 3.43Å; V414-Y431 VanDerWaalsContact CG1-CD1 3.43Å; V414-Y431 HydrophobicContact CG1-CE1 3.59Å; V414-Y431 HydrophobicContact CG1-CG 4.01Å; V414-Y431 HydrophobicContact CG2-CD1 4.21Å; V414-Y431 HydrophobicContact CG2-CD2 4.42Å; V414-Y431 HydrophobicContact CG2-CG 3.94Å
415	A	83.1	Confident	85.5	Confident	36 Å²	36	56.4 Å²	56.4	30%	0.298	26%	0.263	S	S	.	.	H	α-helix	trans	-68.2	-21	176.6	0	0	0	0	0	114.2	R411 N412 E413 K419	R411-A415 WeakPolarHBondContact O-CB 3.44Å; R411-A415 PolarHBondContact O-N 3.39Å; N412-A415 WeakPolarHBondContact O-CB 3.36Å; N412-A415 PolarHBondContact O-N 3.2Å; E413-A415 PolarHBondContact O-N 3.41Å; A415-K419 WeakPolarHBondContact O-CD 3.5Å; A415-K419 WeakPolarHBondContact O-CE 3.44Å; A415-K419 WeakPolarHBondContact O-CG 3.48Å
416	V	82	Confident	86.2	Confident	44 Å²	44	51 Å²	51	27%	0.267	24%	0.238	S	C	.	.	H	α-helix	trans	-81	-53.9	170.2	173.1	0	0	0	0	110.4	N412 E413 V414 R418 K419 I484	N412-V416 WeakPolarHBondContact O-CG2 3.17Å; N412-V416 PolarHBondContact O-N 3.1Å; N412-V416 VanDerWaalsContact O-N 3.14Å; E413-V416 CarbonylContact O-C 3.57Å; E413-V416 WeakPolarHBondContact O-CA 3.32Å; E413-V416 WeakPolarHBondContact O-CB 3.34Å; E413-V416 PolarHBondContact O-N 3.14Å; V414-V416 VanDerWaalsContact C-N 3.26Å; V414-V416 PolarHBondContact O-N 2.98Å; V416-R418 VanDerWaalsContact C-N 3.28Å; V416-R418 PolarHBondContact O-N 3.17Å; V416-K419 WeakPolarHBondContact O-CB 3.46Å; V416-K419 PolarHBondContact O-N 3.37Å; V416-I484 HydrophobicContact CG1-CD1 3.57Å; V416-I484 HydrophobicContact CG1-CG1 3.77Å; V416-I484 HydrophobicContact CG1-CG2 4.17Å
417	L	85.4	Confident	86.9	Confident	12 Å²	12	53.2 Å²	53.2	6%	0.063	25%	0.25	C	S	.	.	H	α-helix	trans	-53.6	-45	179.8	-66.2	177.2	0	0	0	111.7	E413 V414 K419 T420 F428 I439 F507	E413-L417 WeakPolarHBondContact O-CG 3.3Å; E413-L417 PolarHBondContact O-N 3.49Å; V414-L417 PolarHBondContact O-N 2.97Å; L417-K419 PolarHBondContact O-N 3.06Å; L417-K419 VanDerWaalsContact O-N 3.13Å; L417-T420 WeakPolarHBondContact O-CB 3.18Å; L417-T420 PolarHBondContact O-N 3.32Å; L417-T420 PolarHBondContact O-OG1 3.05Å; L417-F428 HydrophobicContact CB-CB 4.21Å; L417-F428 HydrophobicContact CB-CD2 3.74Å; L417-F428 HydrophobicContact CB-CE2 4.24Å; L417-F428 HydrophobicContact CB-CG 3.92Å; L417-F428 HydrophobicContact CD1-CD2 3.92Å; L417-F428 HydrophobicContact CD1-CE2 4.14Å; L417-F428 HydrophobicContact CG-CD2 4.46Å; L417-I439 HydrophobicContact CD1-CD1 4.14Å; L417-I439 HydrophobicContact CD1-CG2 4.25Å; L417-F507 HydrophobicContact CD2-CD2 4Å; L417-F507 HydrophobicContact CD2-CE1 4.42Å; L417-F507 HydrophobicContact CD2-CE2 3.45Å; L417-F507 VanDerWaalsContact CD2-CE2 3.45Å; L417-F507 HydrophobicContact CD2-CZ 3.68Å
418	R	86.7	Confident	87.4	Confident	80 Å²	80	51.9 Å²	51.9	30%	0.302	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.4	177.9	-170.8	175.8	78.3	112.5	-6.9	114.7	S358 W362 V414 V416 T420 F428	S358-R418 PolarHBondContact OG-NH1 3.47Å; W362-R418 HydrophobicContact CD2-CG 3.95Å; W362-R418 HydrophobicContact CE3-CG 4.31Å; W362-R418 HydrophobicContact CG-CG 4.35Å; W362-R418 HydrophobicContact CZ2-CG 4.22Å; V414-R418 WeakPolarHBondContact O-CB 3.22Å; V414-R418 PolarHBondContact O-N 2.81Å; V416-R418 VanDerWaalsContact C-N 3.28Å; V416-R418 PolarHBondContact O-N 3.17Å; R418-T420 VanDerWaalsContact C-N 3.34Å; R418-F428 HydrophobicContact CB-CD1 4.25Å; R418-F428 HydrophobicContact CB-CE1 4.15Å
419	K	83.9	Confident	87.9	Confident	146 Å²	146	49.7 Å²	49.7	64%	0.635	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.4	176.5	-65.7	172.5	-174.1	174	0	112.9	A415 V416 L417 Y478	A415-K419 WeakPolarHBondContact O-CD 3.5Å; A415-K419 WeakPolarHBondContact O-CE 3.44Å; A415-K419 WeakPolarHBondContact O-CG 3.48Å; V416-K419 WeakPolarHBondContact O-CB 3.46Å; V416-K419 PolarHBondContact O-N 3.37Å; L417-K419 PolarHBondContact O-N 3.06Å; L417-K419 VanDerWaalsContact O-N 3.13Å; K419-Y478 PolarHBondContact O-OH 2.86Å
420	T	90.2	Very high	88.6	Confident	7 Å²	7	49.6 Å²	49.6	4%	0.043	23%	0.232	C	C	.	.			trans	-98.6	122.1	179.8	67.7	0	0	0	0	111.6	L417 R418 Y478 L479 I484 F507	L417-T420 WeakPolarHBondContact O-CB 3.18Å; L417-T420 PolarHBondContact O-N 3.32Å; L417-T420 PolarHBondContact O-OG1 3.05Å; R418-T420 VanDerWaalsContact C-N 3.34Å; T420-Y478 HydrophobicContact CG2-CE1 4.28Å; T420-L479 HydrophobicContact CG2-CD2 3.97Å; T420-I484 HydrophobicContact CG2-CD1 3.49Å; T420-I484 VanDerWaalsContact CG2-CD1 3.49Å; T420-F507 HydrophobicContact CG2-CE2 3.89Å; T420-F507 HydrophobicContact CG2-CZ 4.24Å
421	R	93.4	Very high	89.1	Confident	214 Å²	214	49.9 Å²	49.9	81%	0.808	23%	0.233	S	C	*	.			trans	-149.3	105.5	171.8	-176.5	176	178.7	172.7	0.3	108	Y478	R421-Y478 PolarHBondContact N-OH 3.28Å; R421-Y478 PolarHBondContact O-OH 3.1Å
422	H	95.9	Very high	89.5	Confident	45 Å²	45	44.4 Å²	44.4	21%	0.208	21%	0.213	C	C	.	.			trans	-152.5	150.3	-178.9	179.1	-104.1	0	0	0	109.2	N424 I425 Y478	H422-N424 PolarHBondContact ND1-N 3.13Å; H422-N424 PolarHBondContact O-N 2.88Å; H422-I425 HydrophobicContact CB-CB 4.17Å; H422-I425 HydrophobicContact CB-CG1 3.87Å; H422-I425 PolarHBondContact O-N 3.16Å; H422-I425 VanDerWaalsContact O-N 3.1Å; H422-Y478 HydrophobicContact CB-CD1 3.67Å; H422-Y478 HydrophobicContact CB-CD2 3.87Å; H422-Y478 HydrophobicContact CB-CE1 3.84Å; H422-Y478 HydrophobicContact CB-CE2 4.01Å; H422-Y478 HydrophobicContact CB-CG 3.68Å; H422-Y478 AromaticContact CD2-CD2 3.9Å; H422-Y478 AromaticContact CG-CD2 3.99Å; H422-Y478 AromaticContact CG-CG 3.76Å
423	V	96	Very high	89.9	Confident	79 Å²	79	43 Å²	43	48%	0.479	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-38.5	-175.3	61.6	0	0	0	0	112.2	K503	V423-K503 WeakPolarHBondContact O-CD 3.1Å; V423-K503 WeakPolarHBondContact O-CE 3.2Å; V423-K503 PolarHBondContact O-NZ 3.17Å
424	N	97.4	Very high	90.2	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.011	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	10	-179.7	-57.5	119.6	0	0	0	116	H422 Q471 V502 I504	H422-N424 PolarHBondContact ND1-N 3.13Å; H422-N424 PolarHBondContact O-N 2.88Å; N424-Q471 WeakPolarHBondContact CB-O 3.42Å; N424-Q471 PolarHBondContact ND2-OE1 3.19Å; N424-Q471 PolarHBondContact OD1-O 2.8Å; N424-V502 VanDerWaalsContact CA-O 3.24Å; N424-V502 WeakPolarHBondContact CA-O 3.38Å; N424-V502 PolarHBondContact ND2-O 2.58Å; N424-I504 PolarHBondContact O-N 3.19Å
425	I	95.2	Very high	89.9	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.015	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-107.5	141.3	173.3	-61.9	-55.5	0	0	0	109	H422 L427 Y478 L479 I504 F507	H422-I425 HydrophobicContact CB-CB 4.17Å; H422-I425 HydrophobicContact CB-CG1 3.87Å; H422-I425 PolarHBondContact O-N 3.16Å; H422-I425 VanDerWaalsContact O-N 3.1Å; I425-L427 PolarHBondContact O-N 3.29Å; I425-Y478 HydrophobicContact CG1-CD1 4Å; I425-Y478 HydrophobicContact CG1-CE1 4.5Å; I425-L479 HydrophobicContact CD1-CD1 3.83Å; I425-L479 HydrophobicContact CD1-CD2 4.07Å; I425-L479 HydrophobicContact CD1-CG 3.78Å; I425-L479 HydrophobicContact CG1-CD2 4.38Å; I425-L479 HydrophobicContact CG1-CG 4.46Å; I425-I504 HydrophobicContact CD1-CB 3.98Å; I425-I504 HydrophobicContact CD1-CD1 4.33Å; I425-F507 HydrophobicContact CG2-CE1 3.53Å; I425-F507 HydrophobicContact CG2-CZ 3.55Å
426	L	93.6	Very high	89.9	Confident	19 Å²	19	55.5 Å²	55.5	10%	0.099	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-64.8	121	175.2	-167.7	73.2	0	0	0	109.3	F428 T441 Q442 C444 K503 I504	L426-F428 PolarHBondContact O-N 2.76Å; L426-T441 HydrophobicContact CD2-CG2 4.14Å; L426-Q442 HydrophobicContact CD1-CG 3.56Å; L426-Q442 HydrophobicContact CG-CG 4.03Å; L426-C444 WeakPolarHBondContact CD1-SG 3.36Å; L426-K503 HydrophobicContact CD1-CB 4.22Å; L426-I504 VanDerWaalsContact CB-O 3.31Å; L426-I504 WeakPolarHBondContact CB-O 3.17Å; L426-I504 PolarHBondContact N-O 2.92Å
427	L	93.1	Very high	90.3	Very high	74 Å²	74	53.8 Å²	53.8	39%	0.387	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-65	119.6	-177.6	-178.3	64.4	0	0	0	111.3	I425 M429 T441 Q442	I425-L427 PolarHBondContact O-N 3.29Å; L427-M429 HydrophobicContact CG-CG 4.46Å; L427-T441 CarbonylContact O-C 3.59Å; L427-T441 VanDerWaalsContact O-CA 3.27Å; L427-T441 WeakPolarHBondContact O-CA 3.45Å; L427-T441 WeakPolarHBondContact O-CB 3.43Å; L427-Q442 HydrophobicContact CB-CB 4.16Å; L427-Q442 HydrophobicContact CB-CG 3.9Å; L427-Q442 PolarHBondContact O-N 2.82Å
428	F	92.7	Very high	90.5	Very high	12 Å²	12	53.2 Å²	53.2	5%	0.053	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	129.8	165.2	176.6	-96.6	0	0	0	109.9	W362 V414 L417 R418 L426 G430 Y431 I439	W362-F428 HydrophobicContact CE3-CD1 4.34Å; W362-F428 HydrophobicContact CE3-CE1 4.07Å; V414-F428 HydrophobicContact CG1-CZ 3.95Å; L417-F428 HydrophobicContact CB-CB 4.21Å; L417-F428 HydrophobicContact CB-CD2 3.74Å; L417-F428 HydrophobicContact CB-CE2 4.24Å; L417-F428 HydrophobicContact CB-CG 3.92Å; L417-F428 HydrophobicContact CD1-CD2 3.92Å; L417-F428 HydrophobicContact CD1-CE2 4.14Å; L417-F428 HydrophobicContact CG-CD2 4.46Å; R418-F428 HydrophobicContact CB-CD1 4.25Å; R418-F428 HydrophobicContact CB-CE1 4.15Å; L426-F428 PolarHBondContact O-N 2.76Å; F428-G430 WeakPolarHBondContact CE2-O 3.46Å; F428-G430 VanDerWaalsContact CZ-C 3.46Å; F428-G430 WeakPolarHBondContact CZ-O 3.41Å; F428-Y431 HydrophobicContact CZ-CD1 4.1Å; F428-I439 HydrophobicContact CD2-CG2 4.14Å; F428-I439 HydrophobicContact CE2-CG2 4.06Å
429	M	92.8	Very high	90.8	Very high	45 Å²	45	49.7 Å²	49.7	22%	0.222	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-38.1	-177.9	-64.8	-178.4	74.7	0	0	111.8	W388 V392 L427 V440 Q442	W388-M429 HydrophobicContact CE3-CE 4.04Å; W388-M429 HydrophobicContact CZ3-CB 4.09Å; W388-M429 HydrophobicContact CZ3-CE 4.07Å; V392-M429 HydrophobicContact CG1-CE 3.81Å; V392-M429 HydrophobicContact CG1-SD 3.62Å; L427-M429 HydrophobicContact CG-CG 4.46Å; M429-V440 HydrophobicContact CB-CG1 4.28Å; M429-V440 PolarHBondContact N-O 2.85Å; M429-Q442 HydrophobicContact SD-CB 4.27Å; M429-Q442 PolarHBondContact SD-N 3.42Å
430	G	92.6	Very high	91.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.6	-166.4	175.4	0	0	0	0	0	112.4	W362 F428 V440	W362-G430 CarbonylContact O-C 3.56Å; W362-G430 VanDerWaalsContact O-CA 3.24Å; W362-G430 WeakPolarHBondContact O-CA 3.35Å; F428-G430 WeakPolarHBondContact CE2-O 3.46Å; F428-G430 VanDerWaalsContact CZ-C 3.46Å; F428-G430 WeakPolarHBondContact CZ-O 3.41Å; G430-V440 PolarHBondContact N-O 3.33Å; G430-V440 VanDerWaalsContact N-O 3.16Å; G430-V440 PolarHBondContact O-N 3.14Å
431	Y	92.4	Very high	91.4	Very high	8 Å²	8	43.6 Å²	43.6	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158	179.9	66.7	-78.6	0	0	0	110.8	S359 W362 E363 I364 F410 V414 F428 T433 A438	S359-Y431 WeakPolarHBondContact CB-OH 3.34Å; S359-Y431 PolarHBondContact O-OH 3.19Å; W362-Y431 HydrophobicContact CB-CD1 4.16Å; W362-Y431 HydrophobicContact CB-CE1 3.77Å; W362-Y431 WeakPolarHBondContact O-CD1 3.41Å; W362-Y431 WeakPolarHBondContact O-CE1 3.22Å; W362-Y431 PolarHBondContact O-N 2.93Å; E363-Y431 CarbonylContact C-O 3.58Å; E363-Y431 WeakPolarHBondContact CA-O 3.39Å; E363-Y431 HydrophobicContact CB-CE1 4.17Å; E363-Y431 HydrophobicContact CB-CE2 4Å; E363-Y431 HydrophobicContact CG-CE2 4.06Å; I364-Y431 PolarHBondContact N-O 3.5Å; F410-Y431 AromaticContact CE1-CD2 3.72Å; F410-Y431 HydrophobicContact CE1-CD2 3.72Å; F410-Y431 HydrophobicContact CE1-CE2 4.47Å; F410-Y431 HydrophobicContact CE1-CG 4.38Å; F410-Y431 HydrophobicContact CZ-CD2 4.18Å; F410-Y431 HydrophobicContact CZ-CG 4.48Å; V414-Y431 HydrophobicContact CB-CD1 4.47Å; V414-Y431 HydrophobicContact CG1-CD1 3.43Å; V414-Y431 VanDerWaalsContact CG1-CD1 3.43Å; V414-Y431 HydrophobicContact CG1-CE1 3.59Å; V414-Y431 HydrophobicContact CG1-CG 4.01Å; V414-Y431 HydrophobicContact CG2-CD1 4.21Å; V414-Y431 HydrophobicContact CG2-CD2 4.42Å; V414-Y431 HydrophobicContact CG2-CG 3.94Å; F428-Y431 HydrophobicContact CZ-CD1 4.1Å; Y431-T433 HydrophobicContact CD2-CG2 3.7Å; Y431-T433 HydrophobicContact CE2-CG2 3.59Å; Y431-A438 CarbonylContact C-O 3.49Å; Y431-A438 VanDerWaalsContact CA-O 3.24Å; Y431-A438 WeakPolarHBondContact CA-O 3.43Å; Y431-A438 WeakPolarHBondContact CB-O 3.47Å
432	M	91.6	Very high	91.4	Very high	10 Å²	10	34.8 Å²	34.8	5%	0.049	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.4	175.2	-59.2	161.6	51.7	0	0	108.8	I364 A366 V369 V394 L437 A438 V440	I364-M432 HydrophobicContact CB-CG 4.31Å; A366-M432 HydrophobicContact CB-CE 3.6Å; V369-M432 HydrophobicContact CB-SD 4.46Å; V369-M432 HydrophobicContact CG2-SD 4.16Å; V394-M432 HydrophobicContact CG1-SD 4.19Å; M432-L437 WeakPolarHBondContact O-CA 3.37Å; M432-A438 HydrophobicContact CB-CB 4.04Å; M432-A438 HydrophobicContact CG-CB 4.35Å; M432-A438 PolarHBondContact N-O 3.02Å; M432-A438 PolarHBondContact O-N 3.07Å; M432-A438 HydrophobicContact SD-CB 3.94Å; M432-V440 HydrophobicContact CG-CG2 4.45Å; M432-V440 HydrophobicContact SD-CG2 4.37Å
433	T	87.7	Confident	91.3	Very high	44 Å²	44	35 Å²	35	27%	0.27	18%	0.18	S	C	.	.			trans	-123.6	-26.3	171.2	82.6	0	0	0	0	114.6	E363 F410 Y431 L437	E363-T433 WeakPolarHBondContact OE1-CB 3.47Å; E363-T433 VanDerWaalsContact OE1-CG2 3.32Å; E363-T433 WeakPolarHBondContact OE1-CG2 3.49Å; E363-T433 PolarHBondContact OE1-OG1 3.45Å; F410-T433 HydrophobicContact CE1-CG2 4.22Å; Y431-T433 HydrophobicContact CD2-CG2 3.7Å; Y431-T433 HydrophobicContact CE2-CG2 3.59Å; T433-L437 HydrophobicContact CG2-CD2 4.43Å
434	K	82.7	Confident	91.1	Very high	107 Å²	107	31.9 Å²	31.9	47%	0.465	16%	0.161	S	C	.	.	S	Bend	trans	-71.1	137.5	173.8	-57.7	-176.7	-170.8	176.4	0	110.1	E365 N436	E365-K434 IonicContact OE1-NZ 3.59Å; E365-K434 PolarHBondContact OE1-NZ 2.89Å; K434-N436 PolarHBondContact O-N 2.87Å
435	D	79.5	Confident	90.7	Very high	141 Å²	141	37 Å²	37	75%	0.754	19%	0.185	S	C	*	.	S	Bend	trans	61	-42.1	-178.4	-47.2	-42.5	0	0	0	116.2
436	N	84.4	Confident	90.3	Very high	74 Å²	74	38.7 Å²	38.7	40%	0.396	20%	0.204	S	C	.	.	S	Bend	trans	-146.2	133.2	178.4	-72.6	-92.5	0	0	0	110.1	I396 K434 A438	I396-N436 HydrophobicContact CG2-CB 4.01Å; K434-N436 PolarHBondContact O-N 2.87Å; N436-A438 PolarHBondContact O-N 3.21Å
437	L	88.9	Confident	90.3	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.037	20%	0.204	C	C	.	.			trans	-66.7	116.2	164.8	-65.8	-172.3	0	0	0	109	L397 P402 L407 F410 M432 T433	L397-L437 HydrophobicContact CB-CB 4.31Å; L397-L437 WeakPolarHBondContact CB-O 3.48Å; L397-L437 HydrophobicContact CD1-CB 4.22Å; L397-L437 HydrophobicContact CG-CB 4.45Å; L397-L437 WeakPolarHBondContact CG-O 3.41Å; L397-L437 PolarHBondContact N-O 3.29Å; P402-L437 HydrophobicContact CB-CD1 3.77Å; P402-L437 HydrophobicContact CG-CD1 3.95Å; P402-L437 HydrophobicContact CG-CG 4.26Å; L407-L437 HydrophobicContact CD1-CD2 3.96Å; F410-L437 HydrophobicContact CD1-CD2 4.25Å; F410-L437 HydrophobicContact CE1-CD2 4.16Å; F410-L437 HydrophobicContact CE2-CB 4.47Å; F410-L437 HydrophobicContact CG-CD1 4.44Å; M432-L437 WeakPolarHBondContact O-CA 3.37Å; T433-L437 HydrophobicContact CG2-CD2 4.43Å
438	A	91.2	Very high	90.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.3	178.3	0	0	0	0	0	113.1	V394 K395 I396 Y431 M432 N436	V394-A438 HydrophobicContact CG1-CB 3.98Å; K395-A438 VanDerWaalsContact O-CA 3.28Å; K395-A438 WeakPolarHBondContact O-CA 3.41Å; I396-A438 HydrophobicContact CG1-CB 3.97Å; Y431-A438 CarbonylContact C-O 3.49Å; Y431-A438 VanDerWaalsContact CA-O 3.24Å; Y431-A438 WeakPolarHBondContact CA-O 3.43Å; Y431-A438 WeakPolarHBondContact CB-O 3.47Å; M432-A438 HydrophobicContact CB-CB 4.04Å; M432-A438 HydrophobicContact CG-CB 4.35Å; M432-A438 PolarHBondContact N-O 3.02Å; M432-A438 PolarHBondContact O-N 3.07Å; M432-A438 HydrophobicContact SD-CB 3.94Å; N436-A438 PolarHBondContact O-N 3.21Å
439	I	91.1	Very high	90.5	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.036	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130	172.3	-62.7	177	0	0	0	108.2	K395 F410 L417 F428 T441 L509	K395-I439 PolarHBondContact N-O 3.49Å; K395-I439 PolarHBondContact O-N 3.24Å; F410-I439 HydrophobicContact CE2-CD1 4.19Å; F410-I439 HydrophobicContact CE2-CG1 3.77Å; F410-I439 HydrophobicContact CZ-CG1 4.36Å; L417-I439 HydrophobicContact CD1-CD1 4.14Å; L417-I439 HydrophobicContact CD1-CG2 4.25Å; F428-I439 HydrophobicContact CD2-CG2 4.14Å; F428-I439 HydrophobicContact CE2-CG2 4.06Å; I439-T441 HydrophobicContact CG2-CG2 4.06Å; I439-L509 HydrophobicContact CD1-CD2 3.61Å
440	V	93.5	Very high	90.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.6	178.9	-171.5	0	0	0	0	109.1	I364 V392 A393 V394 M429 G430 M432	I364-V440 HydrophobicContact CD1-CB 4.05Å; I364-V440 HydrophobicContact CD1-CG1 4.33Å; I364-V440 HydrophobicContact CD1-CG2 3.94Å; V392-V440 HydrophobicContact CB-CG1 3.85Å; V392-V440 HydrophobicContact CG1-CG1 4.16Å; V392-V440 HydrophobicContact CG2-CG1 3.98Å; A393-V440 WeakPolarHBondContact O-CA 3.4Å; V394-V440 HydrophobicContact CG1-CG2 4.39Å; V394-V440 HydrophobicContact CG2-CG2 4.48Å; M429-V440 HydrophobicContact CB-CG1 4.28Å; M429-V440 PolarHBondContact N-O 2.85Å; G430-V440 PolarHBondContact N-O 3.33Å; G430-V440 VanDerWaalsContact N-O 3.16Å; G430-V440 PolarHBondContact O-N 3.14Å; M432-V440 HydrophobicContact CG-CG2 4.45Å; M432-V440 HydrophobicContact SD-CG2 4.37Å
441	T	93.6	Very high	90.7	Very high	25 Å²	25	40.9 Å²	40.9	15%	0.153	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	166.8	176.1	63.5	0	0	0	0	110.7	A393 L426 L427 I439	A393-T441 PolarHBondContact N-O 2.84Å; A393-T441 PolarHBondContact O-N 2.95Å; L426-T441 HydrophobicContact CD2-CG2 4.14Å; L427-T441 CarbonylContact O-C 3.59Å; L427-T441 VanDerWaalsContact O-CA 3.27Å; L427-T441 WeakPolarHBondContact O-CA 3.45Å; L427-T441 WeakPolarHBondContact O-CB 3.43Å; I439-T441 HydrophobicContact CG2-CG2 4.06Å
442	Q	93.5	Very high	90.8	Very high	29 Å²	29	41.9 Å²	41.9	14%	0.136	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	145.4	169.4	63.9	164	106.5	0	0	111.1	L426 L427 M429	L426-Q442 HydrophobicContact CD1-CG 3.56Å; L426-Q442 HydrophobicContact CG-CG 4.03Å; L427-Q442 HydrophobicContact CB-CB 4.16Å; L427-Q442 HydrophobicContact CB-CG 3.9Å; L427-Q442 PolarHBondContact O-N 2.82Å; M429-Q442 HydrophobicContact SD-CB 4.27Å; M429-Q442 PolarHBondContact SD-N 3.42Å
443	W	94	Very high	91	Very high	50 Å²	50	42.1 Å²	42.1	19%	0.189	22%	0.217	C	C	.	.			trans	-72	157.4	163.2	-175.5	-110.3	0	0	0	110.5	I375 K385 D391 A393 E445	I375-W443 HydrophobicContact CD1-CH2 3.71Å; I375-W443 HydrophobicContact CD1-CZ3 4.24Å; I375-W443 HydrophobicContact CG1-CH2 3.81Å; I375-W443 HydrophobicContact CG1-CZ3 3.89Å; I375-W443 HydrophobicContact CG2-CH2 4.46Å; K385-W443 HydrophobicContact CB-CE3 4.1Å; K385-W443 HydrophobicContact CB-CH2 4.16Å; K385-W443 HydrophobicContact CB-CZ3 3.84Å; K385-W443 HydrophobicContact CD-CD2 3.89Å; K385-W443 HydrophobicContact CD-CE3 4.21Å; K385-W443 HydrophobicContact CD-CG 4.45Å; K385-W443 HydrophobicContact CD-CH2 4.23Å; K385-W443 HydrophobicContact CD-CZ2 3.87Å; K385-W443 HydrophobicContact CD-CZ3 4.38Å; K385-W443 HydrophobicContact CG-CD2 4.04Å; K385-W443 HydrophobicContact CG-CE3 3.92Å; K385-W443 HydrophobicContact CG-CH2 4.43Å; K385-W443 HydrophobicContact CG-CZ3 4.13Å; D391-W443 HydrophobicContact CB-CB 4.03Å; D391-W443 HydrophobicContact CB-CG 4.31Å; D391-W443 VanDerWaalsContact O-CB 3.24Å; D391-W443 WeakPolarHBondContact O-CB 3.45Å; D391-W443 PolarHBondContact O-N 3.41Å; A393-W443 HydrophobicContact CB-CE3 4.03Å; W443-E445 PolarHBondContact NE1-OE1 3.13Å; W443-E445 VanDerWaalsContact NE1-OE1 3.13Å; W443-E445 PolarHBondContact NE1-OE2 2.84Å
444	C	92.1	Very high	91.3	Very high	13 Å²	13	42 Å²	42	9%	0.088	21%	0.214	C	C	.	.			trans	-133	109.8	171.7	-73.8	0	0	0	0	108.9	L426 G446 F495	L426-C444 WeakPolarHBondContact CD1-SG 3.36Å; C444-G446 PolarHBondContact O-N 3.06Å; C444-F495 HydrophobicContact CB-CB 4.37Å
445	E	89.2	Confident	91.9	Very high	108 Å²	108	41.6 Å²	41.6	51%	0.505	22%	0.22	S	C	.	.	S	Bend	trans	-67.8	-14.2	-174.4	-66.6	-62.7	170.3	0	0	115.7	K385 W443	K385-E445 IonicContact NZ-OE1 2.87Å; K385-E445 PolarHBondContact NZ-OE1 3.47Å; K385-E445 IonicContact NZ-OE2 3.63Å; W443-E445 PolarHBondContact NE1-OE1 3.13Å; W443-E445 VanDerWaalsContact NE1-OE1 3.13Å; W443-E445 PolarHBondContact NE1-OE2 2.84Å
446	G	86.9	Confident	92.5	Very high	40 Å²	40	39.4 Å²	39.4	41%	0.412	21%	0.205	S	C	.	.	S	Bend	trans	-84.1	-140.4	173.4	0	0	0	0	0	112	C444 L496	C444-G446 PolarHBondContact O-N 3.06Å; G446-L496 VanDerWaalsContact CA-O 3.25Å; G446-L496 WeakPolarHBondContact CA-O 3.5Å
447	S	92.1	Very high	92.9	Very high	15 Å²	15	43 Å²	43	11%	0.105	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	173.6	-179.8	79.8	0	0	0	0	113.5	H452 L496	S447-H452 PolarHBondContact OG-CD2 2.99Å; S447-H452 PolarHBondContact OG-NE2 2.81Å; S447-L496 PolarHBondContact N-O 2.74Å; S447-L496 PolarHBondContact O-N 3.32Å
448	S	94.7	Very high	93.1	Very high	21 Å²	21	45 Å²	45	15%	0.147	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	148.9	176.6	60.2	0	0	0	0	111.3	Y450 K451 H452 N492 I494	S448-Y450 PolarHBondContact O-N 3.08Å; S448-K451 WeakPolarHBondContact O-CB 3.12Å; S448-K451 PolarHBondContact O-N 3.15Å; S448-H452 PolarHBondContact O-N 3.14Å; S448-H452 VanDerWaalsContact O-N 3.09Å; S448-N492 VanDerWaalsContact CB-O 3.29Å; S448-N492 WeakPolarHBondContact CB-O 3.37Å; S448-I494 CarbonylContact C-O 3.49Å; S448-I494 VanDerWaalsContact CA-O 3.26Å; S448-I494 WeakPolarHBondContact CA-O 3.37Å
449	L	96.8	Very high	93.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.2	-38.4	177.3	179	62.1	0	0	0	110.8	K451 H452 L453 I468 S491 I494 L496 V557 L561	L449-K451 VanDerWaalsContact C-N 3.32Å; L449-K451 PolarHBondContact O-N 3.05Å; L449-H452 PolarHBondContact O-N 3.26Å; L449-L453 HydrophobicContact CD1-CD1 3.94Å; L449-L453 HydrophobicContact CD1-CG 3.99Å; L449-L453 HydrophobicContact CD2-CD1 4.48Å; L449-L453 HydrophobicContact CG-CD1 3.87Å; L449-L453 HydrophobicContact CG-CG 4.3Å; L449-L453 WeakPolarHBondContact O-CG 3.31Å; L449-L453 PolarHBondContact O-N 2.89Å; L449-I468 HydrophobicContact CD1-CG2 4.29Å; L449-I468 HydrophobicContact CD2-CG2 4.29Å; L449-S491 PolarHBondContact N-O 3.3Å; L449-I494 HydrophobicContact CB-CB 4.15Å; L449-I494 HydrophobicContact CB-CG2 4.22Å; L449-I494 HydrophobicContact CD2-CD1 4.23Å; L449-I494 HydrophobicContact CD2-CG2 4.31Å; L449-I494 PolarHBondContact N-O 3.43Å; L449-L496 HydrophobicContact CD1-CD1 4.18Å; L449-V557 HydrophobicContact CD2-CG1 3.97Å; L449-L561 HydrophobicContact CD1-CD2 3.88Å; L449-L561 HydrophobicContact CD2-CD1 4.4Å; L449-L561 HydrophobicContact CD2-CD2 3.98Å; L449-L561 HydrophobicContact CD2-CG 4.17Å; L449-L561 HydrophobicContact CG-CD2 4.45Å
450	Y	95.4	Very high	93.2	Very high	68 Å²	68	55.8 Å²	55.8	27%	0.267	28%	0.279	S	S	.	.	H	α-helix	trans	-54.5	-45.6	172.4	-172.5	-81.8	0	0	0	112.2	S448 L453 H454 V455 S491 N492 W531 L566	S448-Y450 PolarHBondContact O-N 3.08Å; Y450-L453 PolarHBondContact O-N 2.82Å; Y450-H454 AromaticContact CD2-CD2 3.91Å; Y450-H454 HydrophobicContact CE1-CB 4.22Å; Y450-H454 AromaticContact CE2-CD2 3.85Å; Y450-H454 PolarHBondContact O-N 3.23Å; Y450-V455 HydrophobicContact CD1-CG2 4.48Å; Y450-V455 HydrophobicContact CE1-CG2 4.35Å; Y450-S491 WeakPolarHBondContact CB-OG 3.45Å; Y450-S491 WeakPolarHBondContact CD2-OG 3.46Å; Y450-S491 PolarHBondContact N-O 3.06Å; Y450-N492 WeakPolarHBondContact CB-ND2 3.38Å; Y450-W531 HydrophobicContact CD2-CH2 4.25Å; Y450-W531 HydrophobicContact CD2-CZ2 4.35Å; Y450-W531 HydrophobicContact CE2-CH2 4.15Å; Y450-L566 HydrophobicContact CE2-CD1 4.13Å; Y450-L566 HydrophobicContact CE2-CD2 4.17Å
451	K	94.4	Very high	93.2	Very high	92 Å²	92	61.6 Å²	61.6	40%	0.4	31%	0.306	S	S	.	.	H	α-helix	trans	-66.8	-41	179.8	-168.7	-174.6	-177.8	-177.8	0	110.7	S448 L449 V455 Q456	S448-K451 WeakPolarHBondContact O-CB 3.12Å; S448-K451 PolarHBondContact O-N 3.15Å; L449-K451 VanDerWaalsContact C-N 3.32Å; L449-K451 PolarHBondContact O-N 3.05Å; K451-V455 HydrophobicContact CG-CB 3.92Å; K451-V455 HydrophobicContact CG-CG1 4.29Å; K451-V455 HydrophobicContact CG-CG2 4.33Å; K451-V455 WeakPolarHBondContact O-CB 3.42Å; K451-V455 PolarHBondContact O-N 3.33Å; K451-V455 VanDerWaalsContact O-N 3.15Å; K451-Q456 HydrophobicContact CG-CG 4.32Å; K451-Q456 PolarHBondContact O-N 2.71Å
452	H	94.7	Very high	93.2	Very high	28 Å²	28	61.6 Å²	61.6	13%	0.13	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-42.5	175.5	-81.2	-70.8	0	0	0	112.7	S447 S448 L449 Q456 E457 T458 F460 L496	S447-H452 PolarHBondContact OG-CD2 2.99Å; S447-H452 PolarHBondContact OG-NE2 2.81Å; S448-H452 PolarHBondContact O-N 3.14Å; S448-H452 VanDerWaalsContact O-N 3.09Å; L449-H452 PolarHBondContact O-N 3.26Å; H452-Q456 PolarHBondContact CE1-OE1 3.04Å; H452-Q456 VanDerWaalsContact CE1-OE1 3.27Å; H452-Q456 PolarHBondContact ND1-OE1 3.33Å; H452-Q456 VanDerWaalsContact ND1-OE1 3.09Å; H452-E457 PolarHBondContact O-N 2.82Å; H452-T458 PolarHBondContact ND1-OG1 3.19Å; H452-T458 VanDerWaalsContact ND1-OG1 3.1Å; H452-T458 WeakPolarHBondContact O-CB 3.42Å; H452-T458 PolarHBondContact O-N 3.49Å; H452-T458 PolarHBondContact O-OG1 3.07Å; H452-F460 HydrophobicContact CB-CE2 3.95Å; H452-F460 HydrophobicContact CB-CZ 3.96Å; H452-L496 HydrophobicContact CB-CD1 4.43Å
453	L	94.8	Very high	93.1	Very high	15 Å²	15	65.8 Å²	65.8	8%	0.079	32%	0.323	C	S	.	.	H	α-helix	trans	-80	-43.6	-176.7	-64.6	177.2	0	0	0	113.5	L449 Y450 F460 E560 L561	L449-L453 HydrophobicContact CD1-CD1 3.94Å; L449-L453 HydrophobicContact CD1-CG 3.99Å; L449-L453 HydrophobicContact CD2-CD1 4.48Å; L449-L453 HydrophobicContact CG-CD1 3.87Å; L449-L453 HydrophobicContact CG-CG 4.3Å; L449-L453 WeakPolarHBondContact O-CG 3.31Å; L449-L453 PolarHBondContact O-N 2.89Å; Y450-L453 PolarHBondContact O-N 2.82Å; L453-F460 HydrophobicContact CD2-CD2 4.08Å; L453-F460 HydrophobicContact CD2-CE2 4.11Å; L453-E560 HydrophobicContact CD1-CB 4.43Å; L453-E560 HydrophobicContact CD1-CG 3.88Å; L453-L561 HydrophobicContact CD1-CD2 4.34Å
454	H	94.4	Very high	93.2	Very high	43 Å²	43	65.7 Å²	65.7	20%	0.199	33%	0.325	C	S	.	.	H	α-helix	trans	-118.1	1.5	-165.7	-56.5	-42.7	0	0	0	115.5	Y450 E560 G564 L566	Y450-H454 AromaticContact CD2-CD2 3.91Å; Y450-H454 HydrophobicContact CE1-CB 4.22Å; Y450-H454 AromaticContact CE2-CD2 3.85Å; Y450-H454 PolarHBondContact O-N 3.23Å; H454-E560 IonicContact CD2-OE1 3.21Å; H454-E560 WeakPolarHBondContact NE2-CG 3.13Å; H454-E560 IonicContact NE2-OE1 2.57Å; H454-E560 PolarHBondContact NE2-OE1 3.09Å; H454-G564 PolarHBondContact CE1-O 3.13Å; H454-G564 VanDerWaalsContact CE1-O 3.27Å; H454-G564 PolarHBondContact ND1-O 3.4Å; H454-L566 WeakPolarHBondContact NE2-CD2 3.38Å
455	V	94.3	Very high	93.4	Very high	98 Å²	98	65.4 Å²	65.4	59%	0.594	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	-39	176.7	-175.6	0	0	0	0	111.5	Y450 K451	Y450-V455 HydrophobicContact CD1-CG2 4.48Å; Y450-V455 HydrophobicContact CE1-CG2 4.35Å; K451-V455 HydrophobicContact CG-CB 3.92Å; K451-V455 HydrophobicContact CG-CG1 4.29Å; K451-V455 HydrophobicContact CG-CG2 4.33Å; K451-V455 WeakPolarHBondContact O-CB 3.42Å; K451-V455 PolarHBondContact O-N 3.33Å; K451-V455 VanDerWaalsContact O-N 3.15Å
456	Q	93.1	Very high	93.7	Very high	94 Å²	94	60.3 Å²	60.3	44%	0.439	30%	0.298	S	S	.	.	S	Bend	trans	-100	-13.1	176.9	-66.3	176.2	-22.7	0	0	113.2	K451 H452 T458	K451-Q456 HydrophobicContact CG-CG 4.32Å; K451-Q456 PolarHBondContact O-N 2.71Å; H452-Q456 PolarHBondContact CE1-OE1 3.04Å; H452-Q456 VanDerWaalsContact CE1-OE1 3.27Å; H452-Q456 PolarHBondContact ND1-OE1 3.33Å; H452-Q456 VanDerWaalsContact ND1-OE1 3.09Å; Q456-T458 PolarHBondContact O-N 3.12Å
457	E	92.6	Very high	94.1	Very high	151 Å²	151	60.3 Å²	60.3	71%	0.706	29%	0.289	S	S	*	.			trans	46	46.8	-176.9	-58.7	-172.8	167.5	0	0	112.9	H452 K459	H452-E457 PolarHBondContact O-N 2.82Å; E457-K459 PolarHBondContact O-N 3.31Å
458	T	92.4	Very high	94.4	Very high	49 Å²	49	59.7 Å²	59.7	30%	0.301	28%	0.284	S	S	.	.			trans	-63.4	116.2	-174.6	-55.8	0	0	0	0	110	H452 Q456 F460	H452-T458 PolarHBondContact ND1-OG1 3.19Å; H452-T458 VanDerWaalsContact ND1-OG1 3.1Å; H452-T458 WeakPolarHBondContact O-CB 3.42Å; H452-T458 PolarHBondContact O-N 3.49Å; H452-T458 PolarHBondContact O-OG1 3.07Å; Q456-T458 PolarHBondContact O-N 3.12Å; T458-F460 HydrophobicContact CG2-CD1 4.2Å; T458-F460 HydrophobicContact CG2-CD2 4.36Å; T458-F460 HydrophobicContact CG2-CE1 3.7Å; T458-F460 HydrophobicContact CG2-CE2 3.89Å; T458-F460 HydrophobicContact CG2-CZ 3.53Å; T458-F460 VanDerWaalsContact O-CD2 3.29Å; T458-F460 WeakPolarHBondContact O-CD2 3.43Å; T458-F460 PolarHBondContact O-N 2.81Å
459	K	91.9	Very high	94.5	Very high	203 Å²	203	58.7 Å²	58.7	88%	0.883	28%	0.277	S	S	*	.			trans	-75.8	81.6	-177.2	-63.3	-175.4	-178.8	179.6	0	112	E457	E457-K459 PolarHBondContact O-N 3.31Å
460	F	93.7	Very high	94.6	Very high	29 Å²	29	60.5 Å²	60.5	13%	0.127	28%	0.284	C	S	.	.			trans	-73.6	141.6	172.7	-62.2	-67	0	0	0	112.2	H452 L453 T458 Q464 L465 I468 L496 L500	H452-F460 HydrophobicContact CB-CE2 3.95Å; H452-F460 HydrophobicContact CB-CZ 3.96Å; L453-F460 HydrophobicContact CD2-CD2 4.08Å; L453-F460 HydrophobicContact CD2-CE2 4.11Å; T458-F460 HydrophobicContact CG2-CD1 4.2Å; T458-F460 HydrophobicContact CG2-CD2 4.36Å; T458-F460 HydrophobicContact CG2-CE1 3.7Å; T458-F460 HydrophobicContact CG2-CE2 3.89Å; T458-F460 HydrophobicContact CG2-CZ 3.53Å; T458-F460 VanDerWaalsContact O-CD2 3.29Å; T458-F460 WeakPolarHBondContact O-CD2 3.43Å; T458-F460 PolarHBondContact O-N 2.81Å; F460-Q464 HydrophobicContact CB-CB 4.37Å; F460-Q464 HydrophobicContact CD1-CB 4.37Å; F460-L465 HydrophobicContact CB-CD1 4.49Å; F460-L465 HydrophobicContact CB-CD2 3.65Å; F460-L465 HydrophobicContact CB-CG 3.75Å; F460-L465 HydrophobicContact CD2-CD2 3.99Å; F460-L465 HydrophobicContact CG-CD2 4.12Å; F460-I468 HydrophobicContact CD1-CD1 4.36Å; F460-I468 HydrophobicContact CE1-CD1 4.24Å; F460-I468 HydrophobicContact CZ-CD1 4.4Å; F460-L496 HydrophobicContact CE1-CD1 4.31Å; F460-L496 HydrophobicContact CZ-CD1 3.73Å; F460-L500 HydrophobicContact CD1-CD1 4.34Å; F460-L500 HydrophobicContact CE1-CD1 4.17Å; F460-L500 HydrophobicContact CE1-CD2 3.84Å
461	Q	93.1	Very high	94.7	Very high	123 Å²	123	58.1 Å²	58.1	58%	0.575	28%	0.275	S	S	*	.			trans	-78.2	153.2	167.7	-59.9	-171.1	40.5	0	0	110.6	F463 Q464 L465	Q461-F463 HydrophobicContact CB-CD1 3.7Å; Q461-F463 HydrophobicContact CB-CE1 3.69Å; Q461-F463 HydrophobicContact CG-CE1 4.22Å; Q461-F463 PolarHBondContact O-N 3.08Å; Q461-Q464 HydrophobicContact CB-CG 4.46Å; Q461-Q464 WeakPolarHBondContact O-CA 3.42Å; Q461-Q464 WeakPolarHBondContact O-CB 3.29Å; Q461-Q464 PolarHBondContact O-N 3.28Å; Q461-L465 PolarHBondContact O-N 3.2Å; Q461-L465 VanDerWaalsContact O-N 3.07Å
462	M	92.9	Very high	94.9	Very high	25 Å²	25	53.7 Å²	53.7	12%	0.123	26%	0.256	C	S	.	.	H	α-helix	trans	-53.5	-33.7	-177.5	-175.8	57	62.2	0	0	113.6	I466 M562 Y594 N596 C597	M462-I466 HydrophobicContact CG-CD1 3.94Å; M462-I466 WeakPolarHBondContact O-CB 3.38Å; M462-I466 VanDerWaalsContact O-CG1 3.29Å; M462-I466 WeakPolarHBondContact O-CG1 3.38Å; M462-I466 PolarHBondContact O-N 2.94Å; M462-I466 HydrophobicContact SD-CD1 3.96Å; M462-I466 HydrophobicContact SD-CG1 4.25Å; M462-M562 HydrophobicContact CE-SD 4.34Å; M462-M562 HydrophobicContact SD-CE 4.29Å; M462-M562 HydrophobicContact SD-SD 3.88Å; M462-Y594 HydrophobicContact CE-CD2 4.21Å; M462-N596 WeakPolarHBondContact CE-OD1 3.05Å; M462-C597 HydrophobicContact CE-CB 4.22Å
463	F	92.3	Very high	95.1	Very high	116 Å²	116	52.4 Å²	52.4	51%	0.509	25%	0.25	S	C	.	.	H	α-helix	trans	-69.4	-33.2	176.3	81	-96.1	0	0	0	113	Q461 D467 L633	Q461-F463 HydrophobicContact CB-CD1 3.7Å; Q461-F463 HydrophobicContact CB-CE1 3.69Å; Q461-F463 HydrophobicContact CG-CE1 4.22Å; Q461-F463 PolarHBondContact O-N 3.08Å; F463-D467 PolarHBondContact O-N 2.89Å; F463-L633 HydrophobicContact CB-CD1 4.41Å
464	Q	94.8	Very high	95.3	Very high	49 Å²	49	54.2 Å²	54.2	23%	0.229	26%	0.258	C	S	.	.	H	α-helix	trans	-72.3	-43.7	176.4	-60.2	174.2	-65.2	0	0	110.2	F460 Q461 I466 D467 I468 L500	F460-Q464 HydrophobicContact CB-CB 4.37Å; F460-Q464 HydrophobicContact CD1-CB 4.37Å; Q461-Q464 HydrophobicContact CB-CG 4.46Å; Q461-Q464 WeakPolarHBondContact O-CA 3.42Å; Q461-Q464 WeakPolarHBondContact O-CB 3.29Å; Q461-Q464 PolarHBondContact O-N 3.28Å; Q464-I466 VanDerWaalsContact C-N 3.29Å; Q464-I466 PolarHBondContact O-N 3.15Å; Q464-D467 PolarHBondContact O-N 3.1Å; Q464-I468 WeakPolarHBondContact O-CG1 3.49Å; Q464-I468 PolarHBondContact O-N 3.24Å; Q464-L500 HydrophobicContact CB-CD1 4.26Å; Q464-L500 HydrophobicContact CG-CD1 4.25Å
465	L	96.2	Very high	95.5	Very high	7 Å²	7	52.1 Å²	52.1	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-57.6	-42.3	174.2	-66.5	170.9	0	0	0	111.7	F460 Q461 A469 L561 M562 Y594	F460-L465 HydrophobicContact CB-CD1 4.49Å; F460-L465 HydrophobicContact CB-CD2 3.65Å; F460-L465 HydrophobicContact CB-CG 3.75Å; F460-L465 HydrophobicContact CD2-CD2 3.99Å; F460-L465 HydrophobicContact CG-CD2 4.12Å; Q461-L465 PolarHBondContact O-N 3.2Å; Q461-L465 VanDerWaalsContact O-N 3.07Å; L465-A469 WeakPolarHBondContact O-CB 3.45Å; L465-A469 PolarHBondContact O-N 3.35Å; L465-L561 WeakPolarHBondContact CD1-O 3.47Å; L465-L561 HydrophobicContact CD2-CB 4.46Å; L465-L561 HydrophobicContact CD2-CD2 3.73Å; L465-M562 HydrophobicContact CB-CE 3.68Å; L465-Y594 HydrophobicContact CD1-CE2 4.12Å
466	I	95.9	Very high	95.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-70	-36	177.7	-71.6	170.3	0	0	0	112	M462 Q464 A469 R470 M562 P598 M601 I626 L629 Q630 L633	M462-I466 HydrophobicContact CG-CD1 3.94Å; M462-I466 WeakPolarHBondContact O-CB 3.38Å; M462-I466 VanDerWaalsContact O-CG1 3.29Å; M462-I466 WeakPolarHBondContact O-CG1 3.38Å; M462-I466 PolarHBondContact O-N 2.94Å; M462-I466 HydrophobicContact SD-CD1 3.96Å; M462-I466 HydrophobicContact SD-CG1 4.25Å; Q464-I466 VanDerWaalsContact C-N 3.29Å; Q464-I466 PolarHBondContact O-N 3.15Å; I466-A469 PolarHBondContact O-N 2.88Å; I466-R470 WeakPolarHBondContact O-CB 3.22Å; I466-R470 PolarHBondContact O-N 3.41Å; I466-M562 HydrophobicContact CG1-CE 4.25Å; I466-P598 HydrophobicContact CD1-CG 4.2Å; I466-M601 HydrophobicContact CG1-CE 4.05Å; I466-I626 HydrophobicContact CG2-CG2 4.02Å; I466-L629 HydrophobicContact CD1-CD2 3.95Å; I466-L629 HydrophobicContact CD1-CG 4.42Å; I466-Q630 HydrophobicContact CG2-CB 4.31Å; I466-L633 HydrophobicContact CB-CD1 4.37Å; I466-L633 HydrophobicContact CD1-CD1 3.72Å; I466-L633 HydrophobicContact CD1-CD2 3.67Å; I466-L633 HydrophobicContact CD1-CG 4.24Å; I466-L633 HydrophobicContact CG2-CD1 4.19Å
467	D	96.2	Very high	95.9	Very high	40 Å²	40	45 Å²	45	21%	0.214	21%	0.21	C	C	.	.	H	α-helix	trans	-73.6	-37.7	175.9	-165.3	68	0	0	0	112.7	F463 Q464 A469 R470 Q471 Q630	F463-D467 PolarHBondContact O-N 2.89Å; Q464-D467 PolarHBondContact O-N 3.1Å; D467-A469 VanDerWaalsContact C-N 3.32Å; D467-A469 PolarHBondContact O-N 3.44Å; D467-R470 WeakPolarHBondContact O-CB 3.49Å; D467-R470 PolarHBondContact O-N 3.4Å; D467-R470 IonicContact OD1-CZ 3.68Å; D467-R470 IonicContact OD1-NE 3.23Å; D467-R470 PolarHBondContact OD1-NE 2.91Å; D467-R470 IonicContact OD1-NH2 2.92Å; D467-R470 PolarHBondContact OD1-NH2 3.15Å; D467-R470 IonicContact OD2-NH2 2.67Å; D467-Q471 WeakPolarHBondContact O-CB 3.34Å; D467-Q471 WeakPolarHBondContact O-CG 3.35Å; D467-Q471 PolarHBondContact O-N 3.19Å; D467-Q471 PolarHBondContact OD2-NE2 3.17Å; D467-Q630 PolarHBondContact OD1-NE2 3.27Å
468	I	97.6	Very high	96.1	Very high	2 Å²	2	40 Å²	40	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-57.8	-47	169.6	-68.8	165.8	0	0	0	109.8	L449 F460 Q464 R470 T472 L496 V502 L561	L449-I468 HydrophobicContact CD1-CG2 4.29Å; L449-I468 HydrophobicContact CD2-CG2 4.29Å; F460-I468 HydrophobicContact CD1-CD1 4.36Å; F460-I468 HydrophobicContact CE1-CD1 4.24Å; F460-I468 HydrophobicContact CZ-CD1 4.4Å; Q464-I468 WeakPolarHBondContact O-CG1 3.49Å; Q464-I468 PolarHBondContact O-N 3.24Å; I468-R470 VanDerWaalsContact C-N 3.35Å; I468-R470 PolarHBondContact O-N 3.06Å; I468-T472 VanDerWaalsContact O-CB 3.28Å; I468-T472 WeakPolarHBondContact O-CB 3.39Å; I468-T472 PolarHBondContact O-N 3.01Å; I468-T472 PolarHBondContact O-OG1 3.18Å; I468-L496 HydrophobicContact CD1-CD1 4Å; I468-L496 HydrophobicContact CD1-CD2 4.19Å; I468-L496 HydrophobicContact CG1-CD2 4.11Å; I468-L496 HydrophobicContact CG2-CD2 4.21Å; I468-V502 HydrophobicContact CB-CG2 4.35Å; I468-V502 HydrophobicContact CG1-CG2 4.44Å; I468-V502 HydrophobicContact CG2-CG2 4.01Å; I468-L561 HydrophobicContact CG2-CD1 4.26Å; I468-L561 HydrophobicContact CG2-CD2 4.01Å
469	A	98.3	Very high	96.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58	-44.9	175.1	0	0	0	0	0	112.2	L465 I466 D467 T472 A473 Y554 L558 L561 M601 I626	L465-A469 WeakPolarHBondContact O-CB 3.45Å; L465-A469 PolarHBondContact O-N 3.35Å; I466-A469 PolarHBondContact O-N 2.88Å; D467-A469 VanDerWaalsContact C-N 3.32Å; D467-A469 PolarHBondContact O-N 3.44Å; A469-T472 PolarHBondContact O-N 3.28Å; A469-A473 PolarHBondContact O-N 2.64Å; A469-Y554 PolarHBondContact O-OH 2.96Å; A469-L558 HydrophobicContact CB-CD2 3.58Å; A469-L561 HydrophobicContact CB-CD1 4.09Å; A469-M601 HydrophobicContact CB-CE 4.36Å; A469-I626 HydrophobicContact CB-CD1 4.4Å
470	R	98.1	Very high	96.4	Very high	39 Å²	39	28.7 Å²	28.7	15%	0.147	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-52.3	178.8	-170.9	-164.9	60.5	70	6.3	112.3	I466 D467 I468 T472 A473 Q474 L623 I626 E627	I466-R470 WeakPolarHBondContact O-CB 3.22Å; I466-R470 PolarHBondContact O-N 3.41Å; D467-R470 WeakPolarHBondContact O-CB 3.49Å; D467-R470 PolarHBondContact O-N 3.4Å; D467-R470 IonicContact OD1-CZ 3.68Å; D467-R470 IonicContact OD1-NE 3.23Å; D467-R470 PolarHBondContact OD1-NE 2.91Å; D467-R470 IonicContact OD1-NH2 2.92Å; D467-R470 PolarHBondContact OD1-NH2 3.15Å; D467-R470 IonicContact OD2-NH2 2.67Å; I468-R470 VanDerWaalsContact C-N 3.35Å; I468-R470 PolarHBondContact O-N 3.06Å; R470-T472 PolarHBondContact O-N 3.45Å; R470-A473 PolarHBondContact O-N 2.72Å; R470-A473 VanDerWaalsContact O-N 3.17Å; R470-Q474 WeakPolarHBondContact O-CB 3.39Å; R470-Q474 PolarHBondContact O-N 3.06Å; R470-L623 HydrophobicContact CG-CD1 3.85Å; R470-I626 HydrophobicContact CB-CG2 3.65Å; R470-I626 HydrophobicContact CG-CG2 4.13Å; R470-E627 HydrophobicContact CG-CG 4.19Å
471	Q	98.2	Very high	96.5	Very high	17 Å²	17	31 Å²	31	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-59.4	-37.9	177.9	-73	-171.7	58.5	0	0	111.6	N424 D467 Q474 G475 L500 V502	N424-Q471 WeakPolarHBondContact CB-O 3.42Å; N424-Q471 PolarHBondContact ND2-OE1 3.19Å; N424-Q471 PolarHBondContact OD1-O 2.8Å; D467-Q471 WeakPolarHBondContact O-CB 3.34Å; D467-Q471 WeakPolarHBondContact O-CG 3.35Å; D467-Q471 PolarHBondContact O-N 3.19Å; D467-Q471 PolarHBondContact OD2-NE2 3.17Å; Q471-Q474 PolarHBondContact O-N 2.91Å; Q471-G475 PolarHBondContact O-N 3.5Å; Q471-L500 PolarHBondContact NE2-O 2.83Å; Q471-L500 VanDerWaalsContact NE2-O 3.15Å; Q471-V502 HydrophobicContact CB-CB 3.78Å; Q471-V502 HydrophobicContact CB-CG2 3.71Å
472	T	98.6	Very high	96.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.8	-46.7	174.6	-55.5	0	0	0	0	111.4	I468 A469 R470 Q474 G475 M476 M489 I494 I504 Y554	I468-T472 VanDerWaalsContact O-CB 3.28Å; I468-T472 WeakPolarHBondContact O-CB 3.39Å; I468-T472 PolarHBondContact O-N 3.01Å; I468-T472 PolarHBondContact O-OG1 3.18Å; A469-T472 PolarHBondContact O-N 3.28Å; R470-T472 PolarHBondContact O-N 3.45Å; T472-Q474 VanDerWaalsContact C-N 3.31Å; T472-Q474 PolarHBondContact O-N 3.05Å; T472-G475 PolarHBondContact O-N 3.19Å; T472-M476 WeakPolarHBondContact O-CG 3.23Å; T472-M476 PolarHBondContact O-N 3.16Å; T472-M489 HydrophobicContact CG2-CE 3.29Å; T472-I494 HydrophobicContact CG2-CD1 3.8Å; T472-I494 HydrophobicContact CG2-CG1 4.44Å; T472-I504 HydrophobicContact CG2-CD1 4.17Å; T472-I504 WeakPolarHBondContact O-CD1 3.44Å; T472-Y554 HydrophobicContact CG2-CD2 3.85Å; T472-Y554 HydrophobicContact CG2-CE2 3.66Å
473	A	98.6	Very high	96.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.7	-40.3	174.6	0	0	0	0	0	112	A469 R470 M476 D477 Y554 F619 I622 L623 I626	A469-A473 PolarHBondContact O-N 2.64Å; R470-A473 PolarHBondContact O-N 2.72Å; R470-A473 VanDerWaalsContact O-N 3.17Å; A473-M476 PolarHBondContact O-N 3.32Å; A473-D477 WeakPolarHBondContact O-CB 3.35Å; A473-D477 PolarHBondContact O-N 3.5Å; A473-Y554 HydrophobicContact CB-CE2 4.38Å; A473-F619 HydrophobicContact CB-CD1 4.17Å; A473-I622 HydrophobicContact CB-CG2 4.07Å; A473-L623 HydrophobicContact CB-CB 4.42Å; A473-L623 HydrophobicContact CB-CD1 4.32Å; A473-I626 HydrophobicContact CB-CD1 4.19Å
474	Q	98.3	Very high	96.2	Very high	53 Å²	53	30.9 Å²	30.9	25%	0.248	16%	0.16	C	C	.	.	H	α-helix	trans	-63.5	-40.1	178.1	-168.4	-173.8	-20.4	0	0	112.3	R470 Q471 T472 Y478 L623	R470-Q474 WeakPolarHBondContact O-CB 3.39Å; R470-Q474 PolarHBondContact O-N 3.06Å; Q471-Q474 PolarHBondContact O-N 2.91Å; T472-Q474 VanDerWaalsContact C-N 3.31Å; T472-Q474 PolarHBondContact O-N 3.05Å; Q474-Y478 PolarHBondContact O-N 3.1Å; Q474-L623 HydrophobicContact CB-CD1 4.08Å; Q474-L623 HydrophobicContact CB-CD2 4.33Å; Q474-L623 HydrophobicContact CG-CD2 4.34Å
475	G	97.9	Very high	95.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.8	-44	172.8	0	0	0	0	0	113	Q471 T472 Y478 L479	Q471-G475 PolarHBondContact O-N 3.5Å; T472-G475 PolarHBondContact O-N 3.19Å; G475-Y478 WeakPolarHBondContact O-CB 3.37Å; G475-Y478 PolarHBondContact O-N 2.58Å; G475-L479 PolarHBondContact O-N 3.42Å
476	M	98.2	Very high	95.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.3	-39.3	178.1	-71.8	-59.3	-58.6	0	0	113.1	T472 A473 Y478 L479 H480 H486 M489 I504 D550 F619	T472-M476 WeakPolarHBondContact O-CG 3.23Å; T472-M476 PolarHBondContact O-N 3.16Å; A473-M476 PolarHBondContact O-N 3.32Å; M476-Y478 VanDerWaalsContact C-N 3.3Å; M476-Y478 PolarHBondContact O-N 2.87Å; M476-L479 PolarHBondContact O-N 2.95Å; M476-L479 VanDerWaalsContact O-N 3.13Å; M476-L479 HydrophobicContact SD-CD1 4.16Å; M476-H480 PolarHBondContact O-N 3.16Å; M476-H486 HydrophobicContact CE-CB 3.82Å; M476-H486 HydrophobicContact SD-CB 4.23Å; M476-M489 HydrophobicContact CG-CE 3.89Å; M476-M489 HydrophobicContact SD-CE 4.06Å; M476-M489 HydrophobicContact SD-CG 4.46Å; M476-M489 HydrophobicContact SD-SD 4.01Å; M476-I504 HydrophobicContact CG-CD1 3.89Å; M476-I504 HydrophobicContact SD-CD1 4.09Å; M476-D550 HydrophobicContact CE-CB 3.86Å; M476-D550 WeakPolarHBondContact CE-OD2 3.49Å; M476-F619 HydrophobicContact CB-CD1 3.54Å; M476-F619 HydrophobicContact CB-CD2 3.93Å; M476-F619 HydrophobicContact CB-CE1 3.35Å; M476-F619 HydrophobicContact CB-CE2 3.75Å; M476-F619 HydrophobicContact CB-CG 3.83Å; M476-F619 HydrophobicContact CB-CZ 3.45Å; M476-F619 VanDerWaalsContact CB-CZ 3.45Å; M476-F619 HydrophobicContact CE-CE2 3.91Å; M476-F619 HydrophobicContact CE-CZ 4.01Å; M476-F619 HydrophobicContact CG-CD1 4.47Å; M476-F619 HydrophobicContact CG-CE1 3.81Å; M476-F619 HydrophobicContact CG-CE2 4.32Å; M476-F619 HydrophobicContact CG-CZ 3.72Å
477	D	97.9	Very high	95.4	Very high	42 Å²	42	32.2 Å²	32.2	23%	0.225	16%	0.164	C	C	.	.	H	α-helix	trans	-56.8	-44.8	174.2	-168.5	47.5	0	0	0	111.3	A473 L479 H480 A481 F619 P620	A473-D477 WeakPolarHBondContact O-CB 3.35Å; A473-D477 PolarHBondContact O-N 3.5Å; D477-L479 PolarHBondContact O-N 2.91Å; D477-H480 PolarHBondContact O-N 3.37Å; D477-A481 VanDerWaalsContact O-CB 3.29Å; D477-A481 WeakPolarHBondContact O-CB 3.18Å; D477-A481 PolarHBondContact O-N 3.43Å; D477-F619 HydrophobicContact CB-CB 3.87Å; D477-P620 WeakPolarHBondContact OD1-CD 3.14Å; D477-P620 VanDerWaalsContact OD1-CG 3.22Å; D477-P620 WeakPolarHBondContact OD1-CG 3.24Å
478	Y	97.3	Very high	95	Very high	45 Å²	45	31 Å²	31	18%	0.176	16%	0.158	C	C	.	.	H	α-helix	trans	-59.6	-42.6	174.3	173.3	-89.5	0	0	0	113.2	K419 T420 R421 H422 I425 Q474 G475 M476 K482	K419-Y478 PolarHBondContact O-OH 2.86Å; T420-Y478 HydrophobicContact CG2-CE1 4.28Å; R421-Y478 PolarHBondContact N-OH 3.28Å; R421-Y478 PolarHBondContact O-OH 3.1Å; H422-Y478 HydrophobicContact CB-CD1 3.67Å; H422-Y478 HydrophobicContact CB-CD2 3.87Å; H422-Y478 HydrophobicContact CB-CE1 3.84Å; H422-Y478 HydrophobicContact CB-CE2 4.01Å; H422-Y478 HydrophobicContact CB-CG 3.68Å; H422-Y478 AromaticContact CD2-CD2 3.9Å; H422-Y478 AromaticContact CG-CD2 3.99Å; H422-Y478 AromaticContact CG-CG 3.76Å; I425-Y478 HydrophobicContact CG1-CD1 4Å; I425-Y478 HydrophobicContact CG1-CE1 4.5Å; Q474-Y478 PolarHBondContact O-N 3.1Å; G475-Y478 WeakPolarHBondContact O-CB 3.37Å; G475-Y478 PolarHBondContact O-N 2.58Å; M476-Y478 VanDerWaalsContact C-N 3.3Å; M476-Y478 PolarHBondContact O-N 2.87Å; Y478-K482 HydrophobicContact CE1-CG 4.33Å; Y478-K482 WeakPolarHBondContact O-CG 3.35Å; Y478-K482 PolarHBondContact O-N 3.47Å
479	L	95	Very high	94.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65	-45.1	177.2	-68.7	177.2	0	0	0	111.3	T420 I425 G475 M476 D477 A481 K482 N483 I484 F507	T420-L479 HydrophobicContact CG2-CD2 3.97Å; I425-L479 HydrophobicContact CD1-CD1 3.83Å; I425-L479 HydrophobicContact CD1-CD2 4.07Å; I425-L479 HydrophobicContact CD1-CG 3.78Å; I425-L479 HydrophobicContact CG1-CD2 4.38Å; I425-L479 HydrophobicContact CG1-CG 4.46Å; G475-L479 PolarHBondContact O-N 3.42Å; M476-L479 PolarHBondContact O-N 2.95Å; M476-L479 VanDerWaalsContact O-N 3.13Å; M476-L479 HydrophobicContact SD-CD1 4.16Å; D477-L479 PolarHBondContact O-N 2.91Å; L479-A481 PolarHBondContact O-N 2.97Å; L479-K482 CarbonylContact O-C 3.35Å; L479-K482 WeakPolarHBondContact O-CA 3.49Å; L479-K482 WeakPolarHBondContact O-CB 3.32Å; L479-K482 PolarHBondContact O-N 3.47Å; L479-N483 PolarHBondContact O-N 3.28Å; L479-I484 CarbonylContact C-O 3.54Å; L479-I484 HydrophobicContact CB-CB 4.25Å; L479-I484 HydrophobicContact CD2-CB 4.4Å; L479-I484 HydrophobicContact CD2-CD1 4.18Å; L479-I484 HydrophobicContact CD2-CG2 4.32Å; L479-I484 WeakPolarHBondContact O-CB 3.32Å; L479-I484 PolarHBondContact O-N 2.82Å; L479-F507 HydrophobicContact CD1-CB 4.25Å; L479-F507 HydrophobicContact CD1-CD1 4.41Å; L479-F507 HydrophobicContact CD1-CD2 4.29Å; L479-F507 HydrophobicContact CD1-CG 4.07Å; L479-F507 HydrophobicContact CD2-CD2 3.91Å; L479-F507 HydrophobicContact CD2-CE2 3.78Å; L479-F507 HydrophobicContact CD2-CG 4.43Å; L479-F507 HydrophobicContact CD2-CZ 4.24Å
480	H	95.2	Very high	94.6	Very high	16 Å²	16	32 Å²	32	7%	0.074	16%	0.162	C	C	.	.	H	α-helix	trans	-67.2	-37.2	179.7	-74.1	-159.2	0	0	0	111.8	M476 D477 K482 N483 I484 F547 D550 F619	M476-H480 PolarHBondContact O-N 3.16Å; D477-H480 PolarHBondContact O-N 3.37Å; H480-K482 PolarHBondContact O-N 2.92Å; H480-N483 WeakPolarHBondContact O-CA 3.29Å; H480-N483 PolarHBondContact O-N 3.14Å; H480-I484 PolarHBondContact CD2-O 2.99Å; H480-I484 VanDerWaalsContact CD2-O 3.29Å; H480-F547 HydrophobicContact CB-CD1 4.14Å; H480-F547 HydrophobicContact CB-CE1 4.28Å; H480-F547 AromaticContact CD2-CD1 3.72Å; H480-F547 VanDerWaalsContact CE1-CA 3.43Å; H480-F547 WeakPolarHBondContact CE1-CA 3.33Å; H480-F547 AromaticContact CE1-CD1 3.67Å; H480-F547 AromaticContact CE1-CG 3.96Å; H480-F547 PolarHBondContact CE1-O 3.06Å; H480-F547 AromaticContact CG-CD1 3.55Å; H480-F547 WeakPolarHBondContact ND1-CB 3.32Å; H480-F547 AromaticContact ND1-CD1 3.52Å; H480-F547 AromaticContact ND1-CG 3.63Å; H480-F547 AromaticContact NE2-CD1 3.78Å; H480-D550 IonicContact CD2-OD2 3.76Å; H480-D550 IonicContact CE1-OD2 3.97Å; H480-D550 IonicContact NE2-OD2 2.71Å; H480-D550 PolarHBondContact NE2-OD2 2.96Å; H480-F619 AromaticContact CE1-CD2 3.48Å; H480-F619 VanDerWaalsContact CE1-CD2 3.48Å; H480-F619 WeakPolarHBondContact CE1-CD2 3.48Å; H480-F619 AromaticContact CE1-CE2 3.47Å; H480-F619 VanDerWaalsContact CE1-CE2 3.47Å; H480-F619 WeakPolarHBondContact CE1-CE2 3.37Å; H480-F619 AromaticContact ND1-CD2 3.41Å; H480-F619 WeakPolarHBondContact ND1-CD2 3.35Å; H480-F619 AromaticContact ND1-CE2 3.92Å
481	A	95.4	Very high	94.5	Very high	78 Å²	78	30.1 Å²	30.1	65%	0.645	16%	0.155	S	C	*	.	H	α-helix	trans	-63.4	-19.4	170.9	0	0	0	0	0	113.7	D477 L479	D477-A481 VanDerWaalsContact O-CB 3.29Å; D477-A481 WeakPolarHBondContact O-CB 3.18Å; D477-A481 PolarHBondContact O-N 3.43Å; L479-A481 PolarHBondContact O-N 2.97Å
482	K	91.9	Very high	94.3	Very high	114 Å²	114	31.9 Å²	31.9	50%	0.496	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	5.2	169.8	-66.6	-64.3	-174.8	-175.6	0	113.6	Y478 L479 H480 I484	Y478-K482 HydrophobicContact CE1-CG 4.33Å; Y478-K482 WeakPolarHBondContact O-CG 3.35Å; Y478-K482 PolarHBondContact O-N 3.47Å; L479-K482 CarbonylContact O-C 3.35Å; L479-K482 WeakPolarHBondContact O-CA 3.49Å; L479-K482 WeakPolarHBondContact O-CB 3.32Å; L479-K482 PolarHBondContact O-N 3.47Å; H480-K482 PolarHBondContact O-N 2.92Å; K482-I484 VanDerWaalsContact C-N 3.29Å; K482-I484 HydrophobicContact CB-CD1 3.78Å; K482-I484 HydrophobicContact CB-CG1 3.96Å
483	N	90.5	Very high	94	Very high	129 Å²	129	32.4 Å²	32.4	69%	0.69	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	33.3	-171.5	-57.7	-68	0	0	0	114.2	L479 H480 F547	L479-N483 PolarHBondContact O-N 3.28Å; H480-N483 WeakPolarHBondContact O-CA 3.29Å; H480-N483 PolarHBondContact O-N 3.14Å; N483-F547 HydrophobicContact CB-CZ 4.47Å
484	I	89.6	Confident	93.9	Very high	17 Å²	17	32.4 Å²	32.4	9%	0.087	17%	0.168	C	C	.	.			trans	-103	117.2	177.8	-55.8	169.8	0	0	0	108.7	V416 T420 L479 H480 K482 F507	V416-I484 HydrophobicContact CG1-CD1 3.57Å; V416-I484 HydrophobicContact CG1-CG1 3.77Å; V416-I484 HydrophobicContact CG1-CG2 4.17Å; T420-I484 HydrophobicContact CG2-CD1 3.49Å; T420-I484 VanDerWaalsContact CG2-CD1 3.49Å; L479-I484 CarbonylContact C-O 3.54Å; L479-I484 HydrophobicContact CB-CB 4.25Å; L479-I484 HydrophobicContact CD2-CB 4.4Å; L479-I484 HydrophobicContact CD2-CD1 4.18Å; L479-I484 HydrophobicContact CD2-CG2 4.32Å; L479-I484 WeakPolarHBondContact O-CB 3.32Å; L479-I484 PolarHBondContact O-N 2.82Å; H480-I484 PolarHBondContact CD2-O 2.99Å; H480-I484 VanDerWaalsContact CD2-O 3.29Å; K482-I484 VanDerWaalsContact C-N 3.29Å; K482-I484 HydrophobicContact CB-CD1 3.78Å; K482-I484 HydrophobicContact CB-CG1 3.96Å; I484-F507 HydrophobicContact CG2-CD2 4.16Å
485	I	90.2	Very high	93.8	Very high	33 Å²	33	32.6 Å²	32.6	17%	0.169	17%	0.168	C	C	.	.			trans	-88.3	130.2	170.4	-51.9	168.1	0	0	0	107.6	R487 F547 D550	I485-R487 HydrophobicContact CB-CG 4.01Å; I485-R487 HydrophobicContact CG2-CG 3.62Å; I485-F547 HydrophobicContact CG1-CD1 3.81Å; I485-F547 HydrophobicContact CG1-CE1 3.75Å; I485-D550 WeakPolarHBondContact CG2-OD2 3.26Å
486	H	91.6	Very high	93.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.			trans	-71.1	-40.7	-179.7	-173.5	-27.1	0	0	0	111.8	M476 D488 M489 I504 G505 F507 D550	M476-H486 HydrophobicContact CE-CB 3.82Å; M476-H486 HydrophobicContact SD-CB 4.23Å; H486-D488 PolarHBondContact CE1-O 2.82Å; H486-D488 PolarHBondContact O-N 2.89Å; H486-M489 HydrophobicContact CB-CB 4.42Å; H486-I504 WeakPolarHBondContact NE2-CG2 3.48Å; H486-G505 PolarHBondContact CE1-O 3.01Å; H486-G505 PolarHBondContact NE2-O 2.9Å; H486-F507 HydrophobicContact CB-CB 4.14Å; H486-F507 WeakPolarHBondContact ND1-CA 3.24Å; H486-D550 PolarHBondContact N-OD1 3.39Å; H486-D550 PolarHBondContact N-OD2 2.93Å
487	R	89.2	Confident	93.3	Very high	51 Å²	51	34.5 Å²	34.5	19%	0.192	18%	0.177	C	C	.	.	S	Bend	trans	64	-6.7	175.7	-53.7	172.8	170.4	-132.1	1	116.4	I485 A510 E523 F545 D550	I485-R487 HydrophobicContact CB-CG 4.01Å; I485-R487 HydrophobicContact CG2-CG 3.62Å; R487-A510 HydrophobicContact CB-CB 3.43Å; R487-A510 VanDerWaalsContact CB-CB 3.43Å; R487-A510 HydrophobicContact CG-CB 4.15Å; R487-E523 IonicContact NH1-OE1 2.7Å; R487-E523 PolarHBondContact NH1-OE1 3Å; R487-F545 HydrophobicContact CB-CD1 3.67Å; R487-F545 HydrophobicContact CB-CE1 3.91Å; R487-F545 HydrophobicContact CB-CG 4.29Å; R487-F545 HydrophobicContact CG-CB 4.06Å; R487-F545 HydrophobicContact CG-CD1 3.83Å; R487-F545 HydrophobicContact CG-CG 4.02Å; R487-F545 WeakPolarHBondContact O-CE1 2.94Å; R487-D550 PolarHBondContact N-OD1 3.15Å
488	D	87.9	Confident	92.6	Very high	15 Å²	15	39 Å²	39	8%	0.08	20%	0.197	C	C	.	.	S	Bend	trans	-146.1	40.5	-179.2	-161.9	11.9	0	0	0	110.5	H486 K490 N493 K513	H486-D488 PolarHBondContact CE1-O 2.82Å; H486-D488 PolarHBondContact O-N 2.89Å; D488-K490 PolarHBondContact O-N 3.35Å; D488-K490 IonicContact OD1-NZ 2.67Å; D488-K490 PolarHBondContact OD1-NZ 2.98Å; D488-K490 IonicContact OD2-NZ 3.71Å; D488-K490 PolarHBondContact OD2-NZ 3.44Å; D488-N493 PolarHBondContact O-ND2 3.28Å; D488-K513 VanDerWaalsContact CG-NZ 3.27Å; D488-K513 IonicContact OD1-NZ 3.43Å; D488-K513 IonicContact OD2-NZ 3.5Å; D488-K513 PolarHBondContact OD2-NZ 2.75Å
489	M	93.7	Very high	92	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	23%	0.228	C	C	.	.			trans	-74.1	120.2	-177.8	179.1	54	168.2	0	0	110.2	T472 M476 H486 I494 W531 S553 Y554	T472-M489 HydrophobicContact CG2-CE 3.29Å; M476-M489 HydrophobicContact CG-CE 3.89Å; M476-M489 HydrophobicContact SD-CE 4.06Å; M476-M489 HydrophobicContact SD-CG 4.46Å; M476-M489 HydrophobicContact SD-SD 4.01Å; H486-M489 HydrophobicContact CB-CB 4.42Å; M489-I494 HydrophobicContact CE-CD1 3.62Å; M489-I494 HydrophobicContact CE-CG1 4.08Å; M489-I494 HydrophobicContact SD-CD1 4.24Å; M489-I494 HydrophobicContact SD-CG1 4.28Å; M489-W531 WeakPolarHBondContact O-CB 3.29Å; M489-S553 WeakPolarHBondContact O-CB 3.36Å; M489-Y554 HydrophobicContact CE-CD2 4.02Å
490	K	94.2	Very high	91.7	Very high	22 Å²	22	43 Å²	43	10%	0.096	24%	0.24	C	C	.	.	S	Bend	trans	-165.3	161	-177.7	62.9	-165	177.1	-146	0	110.4	D488 N492 N493 S528 W531	D488-K490 PolarHBondContact O-N 3.35Å; D488-K490 IonicContact OD1-NZ 2.67Å; D488-K490 PolarHBondContact OD1-NZ 2.98Å; D488-K490 IonicContact OD2-NZ 3.71Å; D488-K490 PolarHBondContact OD2-NZ 3.44Å; K490-N492 HydrophobicContact CD-CB 4.38Å; K490-N492 HydrophobicContact CG-CB 4.13Å; K490-N492 PolarHBondContact O-N 3.39Å; K490-N492 VanDerWaalsContact O-N 3.15Å; K490-N493 WeakPolarHBondContact CE-ND2 3.45Å; K490-N493 WeakPolarHBondContact CE-OD1 3.38Å; K490-N493 HydrophobicContact CG-CB 4.22Å; K490-N493 PolarHBondContact O-N 3.22Å; K490-S528 WeakPolarHBondContact CD-OG 3.45Å; K490-S528 PolarHBondContact NZ-OG 3.42Å; K490-W531 HydrophobicContact CB-CB 4.4Å; K490-W531 HydrophobicContact CB-CD2 3.58Å; K490-W531 HydrophobicContact CB-CE3 4Å; K490-W531 HydrophobicContact CB-CG 3.75Å; K490-W531 HydrophobicContact CB-CZ2 4.38Å
491	S	95.6	Very high	91.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-63.6	-19.1	-179.1	59.8	0	0	0	0	115	L449 Y450 N493 E560	L449-S491 PolarHBondContact N-O 3.3Å; Y450-S491 WeakPolarHBondContact CB-OG 3.45Å; Y450-S491 WeakPolarHBondContact CD2-OG 3.46Å; Y450-S491 PolarHBondContact N-O 3.06Å; S491-N493 VanDerWaalsContact C-N 3.28Å; S491-N493 PolarHBondContact O-N 3.17Å; S491-E560 VanDerWaalsContact CB-CD 3.5Å; S491-E560 WeakPolarHBondContact CB-OE1 3.28Å; S491-E560 WeakPolarHBondContact CB-OE2 3.33Å; S491-E560 PolarHBondContact OG-OE1 3.43Å; S491-E560 PolarHBondContact OG-OE2 2.82Å
492	N	92.9	Very high	91.9	Very high	54 Å²	54	40.6 Å²	40.6	29%	0.289	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-68.2	-27.3	170.4	-55.7	95.6	0	0	0	113.1	S448 Y450 K490	S448-N492 VanDerWaalsContact CB-O 3.29Å; S448-N492 WeakPolarHBondContact CB-O 3.37Å; Y450-N492 WeakPolarHBondContact CB-ND2 3.38Å; K490-N492 HydrophobicContact CD-CB 4.38Å; K490-N492 HydrophobicContact CG-CB 4.13Å; K490-N492 PolarHBondContact O-N 3.39Å; K490-N492 VanDerWaalsContact O-N 3.15Å
493	N	93.5	Very high	92.1	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.053	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-97.8	0.7	-175.8	-69.6	-0.4	0	0	0	112.7	D488 K490 S491 G505 D506	D488-N493 PolarHBondContact O-ND2 3.28Å; K490-N493 WeakPolarHBondContact CE-ND2 3.45Å; K490-N493 WeakPolarHBondContact CE-OD1 3.38Å; K490-N493 HydrophobicContact CG-CB 4.22Å; K490-N493 PolarHBondContact O-N 3.22Å; S491-N493 VanDerWaalsContact C-N 3.28Å; S491-N493 PolarHBondContact O-N 3.17Å; N493-G505 PolarHBondContact O-N 2.95Å; N493-D506 HydrophobicContact CB-CB 4.35Å
494	I	96.6	Very high	92.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	114.8	175.5	-58.4	169.4	0	0	0	106.9	S448 L449 T472 M489 V502 V557	S448-I494 CarbonylContact C-O 3.49Å; S448-I494 VanDerWaalsContact CA-O 3.26Å; S448-I494 WeakPolarHBondContact CA-O 3.37Å; L449-I494 HydrophobicContact CB-CB 4.15Å; L449-I494 HydrophobicContact CB-CG2 4.22Å; L449-I494 HydrophobicContact CD2-CD1 4.23Å; L449-I494 HydrophobicContact CD2-CG2 4.31Å; L449-I494 PolarHBondContact N-O 3.43Å; T472-I494 HydrophobicContact CG2-CD1 3.8Å; T472-I494 HydrophobicContact CG2-CG1 4.44Å; M489-I494 HydrophobicContact CE-CD1 3.62Å; M489-I494 HydrophobicContact CE-CG1 4.08Å; M489-I494 HydrophobicContact SD-CD1 4.24Å; M489-I494 HydrophobicContact SD-CG1 4.28Å; I494-V502 HydrophobicContact CG2-CG1 3.65Å; I494-V557 HydrophobicContact CD1-CB 4.46Å; I494-V557 HydrophobicContact CD1-CG1 3.65Å; I494-V557 HydrophobicContact CD1-CG2 4.06Å
495	F	96.2	Very high	92.4	Very high	58 Å²	58	29.5 Å²	29.5	25%	0.254	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.3	179.3	-59.1	-92.3	0	0	0	110.3	C444 V502 K503	C444-F495 HydrophobicContact CB-CB 4.37Å; F495-V502 CarbonylContact O-C 3.48Å; F495-V502 WeakPolarHBondContact O-CA 3.49Å; F495-K503 HydrophobicContact CB-CB 4.3Å; F495-K503 PolarHBondContact N-O 2.83Å; F495-K503 PolarHBondContact O-N 3.34Å
496	L	95.6	Very high	92	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.9	167.7	-56.5	-175	0	0	0	107.6	G446 S447 L449 H452 F460 I468 L500 V502	G446-L496 VanDerWaalsContact CA-O 3.25Å; G446-L496 WeakPolarHBondContact CA-O 3.5Å; S447-L496 PolarHBondContact N-O 2.74Å; S447-L496 PolarHBondContact O-N 3.32Å; L449-L496 HydrophobicContact CD1-CD1 4.18Å; H452-L496 HydrophobicContact CB-CD1 4.43Å; F460-L496 HydrophobicContact CE1-CD1 4.31Å; F460-L496 HydrophobicContact CZ-CD1 3.73Å; I468-L496 HydrophobicContact CD1-CD1 4Å; I468-L496 HydrophobicContact CD1-CD2 4.19Å; I468-L496 HydrophobicContact CG1-CD2 4.11Å; I468-L496 HydrophobicContact CG2-CD2 4.21Å; L496-L500 HydrophobicContact CD1-CD2 4.17Å; L496-V502 HydrophobicContact CD2-CG2 3.89Å
497	H	88.9	Confident	91.3	Very high	36 Å²	36	30.8 Å²	30.8	17%	0.167	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-180	174	-176.9	50.9	0	0	0	109.5	G499 L500 T501 K503	H497-G499 PolarHBondContact O-N 3.47Å; H497-L500 WeakPolarHBondContact O-CA 3.49Å; H497-L500 PolarHBondContact O-N 3.39Å; H497-T501 PolarHBondContact N-O 3.21Å; H497-T501 PolarHBondContact O-N 2.92Å; H497-K503 HydrophobicContact CB-CG 4.29Å
498	E	84.5	Confident	90.2	Very high	136 Å²	136	28.6 Å²	28.6	64%	0.636	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-28.5	124	-177.8	-69.7	166.5	-157.3	0	0	114.4	L500 T501	E498-L500 VanDerWaalsContact C-N 3.31Å; E498-L500 PolarHBondContact O-N 3.26Å; E498-T501 WeakPolarHBondContact O-CB 3.47Å; E498-T501 PolarHBondContact O-N 2.99Å; E498-T501 PolarHBondContact O-OG1 3.39Å
499	G	83	Confident	89	Confident	81 Å²	81	28.6 Å²	28.6	84%	0.835	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	69.5	19.1	179.7	0	0	0	0	0	115.9	H497 T501	H497-G499 PolarHBondContact O-N 3.47Å; G499-T501 VanDerWaalsContact C-N 3.32Å
500	L	89.9	Confident	87.1	Confident	48 Å²	48	29 Å²	29	25%	0.251	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	67.1	29.5	-171.4	-49.5	175.8	0	0	0	113.4	F460 Q464 Q471 L496 H497 E498 V502	F460-L500 HydrophobicContact CD1-CD1 4.34Å; F460-L500 HydrophobicContact CE1-CD1 4.17Å; F460-L500 HydrophobicContact CE1-CD2 3.84Å; Q464-L500 HydrophobicContact CB-CD1 4.26Å; Q464-L500 HydrophobicContact CG-CD1 4.25Å; Q471-L500 PolarHBondContact NE2-O 2.83Å; Q471-L500 VanDerWaalsContact NE2-O 3.15Å; L496-L500 HydrophobicContact CD1-CD2 4.17Å; H497-L500 WeakPolarHBondContact O-CA 3.49Å; H497-L500 PolarHBondContact O-N 3.39Å; E498-L500 VanDerWaalsContact C-N 3.31Å; E498-L500 PolarHBondContact O-N 3.26Å; L500-V502 PolarHBondContact O-N 2.86Å
501	T	96	Very high	85.2	Confident	43 Å²	43	29 Å²	29	26%	0.264	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	118.9	170	-57.5	0	0	0	0	109.5	H497 E498 G499	H497-T501 PolarHBondContact N-O 3.21Å; H497-T501 PolarHBondContact O-N 2.92Å; E498-T501 WeakPolarHBondContact O-CB 3.47Å; E498-T501 PolarHBondContact O-N 2.99Å; E498-T501 PolarHBondContact O-OG1 3.39Å; G499-T501 VanDerWaalsContact C-N 3.32Å
502	V	97.8	Very high	83.1	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	137.6	179	174.4	0	0	0	0	110.8	N424 I468 Q471 I494 F495 L496 L500 I504	N424-V502 VanDerWaalsContact CA-O 3.24Å; N424-V502 WeakPolarHBondContact CA-O 3.38Å; N424-V502 PolarHBondContact ND2-O 2.58Å; I468-V502 HydrophobicContact CB-CG2 4.35Å; I468-V502 HydrophobicContact CG1-CG2 4.44Å; I468-V502 HydrophobicContact CG2-CG2 4.01Å; Q471-V502 HydrophobicContact CB-CB 3.78Å; Q471-V502 HydrophobicContact CB-CG2 3.71Å; I494-V502 HydrophobicContact CG2-CG1 3.65Å; F495-V502 CarbonylContact O-C 3.48Å; F495-V502 WeakPolarHBondContact O-CA 3.49Å; L496-V502 HydrophobicContact CD2-CG2 3.89Å; L500-V502 PolarHBondContact O-N 2.86Å; V502-I504 HydrophobicContact CG1-CG1 4.28Å
503	K	96.4	Very high	81.3	Confident	26 Å²	26	28.6 Å²	28.6	11%	0.113	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	116.8	170	-65.2	-69.2	-174.8	173.3	0	110.1	V423 L426 F495 H497	V423-K503 WeakPolarHBondContact O-CD 3.1Å; V423-K503 WeakPolarHBondContact O-CE 3.2Å; V423-K503 PolarHBondContact O-NZ 3.17Å; L426-K503 HydrophobicContact CD1-CB 4.22Å; F495-K503 HydrophobicContact CB-CB 4.3Å; F495-K503 PolarHBondContact N-O 2.83Å; F495-K503 PolarHBondContact O-N 3.34Å; H497-K503 HydrophobicContact CB-CG 4.29Å
504	I	95.6	Very high	79.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	124.9	175.4	-54.8	173.3	0	0	0	109.1	N424 I425 L426 T472 M476 H486 V502	N424-I504 PolarHBondContact O-N 3.19Å; I425-I504 HydrophobicContact CD1-CB 3.98Å; I425-I504 HydrophobicContact CD1-CD1 4.33Å; L426-I504 VanDerWaalsContact CB-O 3.31Å; L426-I504 WeakPolarHBondContact CB-O 3.17Å; L426-I504 PolarHBondContact N-O 2.92Å; T472-I504 HydrophobicContact CG2-CD1 4.17Å; T472-I504 WeakPolarHBondContact O-CD1 3.44Å; M476-I504 HydrophobicContact CG-CD1 3.89Å; M476-I504 HydrophobicContact SD-CD1 4.09Å; H486-I504 WeakPolarHBondContact NE2-CG2 3.48Å; V502-I504 HydrophobicContact CG1-CG1 4.28Å
505	G	90.4	Very high	77.1	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.01	18%	0.184	C	C	.	.			trans	-122.3	-176.7	177.9	0	0	0	0	0	112.8	H486 N493 F507	H486-G505 PolarHBondContact CE1-O 3.01Å; H486-G505 PolarHBondContact NE2-O 2.9Å; N493-G505 PolarHBondContact O-N 2.95Å; G505-F507 PolarHBondContact O-N 2.9Å
506	D	83	Confident	75	Confident	54 Å²	54	33.1 Å²	33.1	29%	0.289	18%	0.181	S	C	.	.	S	Bend	trans	57.3	20	174.4	-88.7	20.2	0	0	0	116.6	K395 N493	K395-D506 IonicContact NZ-OD1 2.83Å; K395-D506 PolarHBondContact NZ-OD1 3.21Å; K395-D506 IonicContact NZ-OD2 3.53Å; K395-D506 PolarHBondContact NZ-OD2 2.86Å; N493-D506 HydrophobicContact CB-CB 4.35Å
507	F	77.3	Confident	72.9	Confident	7 Å²	7	37.6 Å²	37.6	3%	0.031	21%	0.213	C	C	.	.			trans	-78.7	161.6	170	63.3	-85.9	0	0	0	112.4	L417 T420 I425 L479 I484 H486 G505 L509	L417-F507 HydrophobicContact CD2-CD2 4Å; L417-F507 HydrophobicContact CD2-CE1 4.42Å; L417-F507 HydrophobicContact CD2-CE2 3.45Å; L417-F507 VanDerWaalsContact CD2-CE2 3.45Å; L417-F507 HydrophobicContact CD2-CZ 3.68Å; T420-F507 HydrophobicContact CG2-CE2 3.89Å; T420-F507 HydrophobicContact CG2-CZ 4.24Å; I425-F507 HydrophobicContact CG2-CE1 3.53Å; I425-F507 HydrophobicContact CG2-CZ 3.55Å; L479-F507 HydrophobicContact CD1-CB 4.25Å; L479-F507 HydrophobicContact CD1-CD1 4.41Å; L479-F507 HydrophobicContact CD1-CD2 4.29Å; L479-F507 HydrophobicContact CD1-CG 4.07Å; L479-F507 HydrophobicContact CD2-CD2 3.91Å; L479-F507 HydrophobicContact CD2-CE2 3.78Å; L479-F507 HydrophobicContact CD2-CG 4.43Å; L479-F507 HydrophobicContact CD2-CZ 4.24Å; I484-F507 HydrophobicContact CG2-CD2 4.16Å; H486-F507 HydrophobicContact CB-CB 4.14Å; H486-F507 WeakPolarHBondContact ND1-CA 3.24Å; G505-F507 PolarHBondContact O-N 2.9Å; F507-L509 PolarHBondContact O-N 2.97Å
508	G	64.2	Low	70.8	Confident	4 Å²	4	37.9 Å²	37.9	4%	0.041	23%	0.225	C	C	.	.	S	Bend	trans	77.3	-42.6	-179.3	0	0	0	0	0	114.3	E413 A510 T511	E413-G508 VanDerWaalsContact OE2-CA 3.27Å; E413-G508 WeakPolarHBondContact OE2-CA 3.09Å; G508-A510 PolarHBondContact O-N 2.92Å; G508-T511 PolarHBondContact O-N 3.47Å; G508-T511 PolarHBondContact O-OG1 3.39Å
509	L	63	Low	68.9	Low	16 Å²	16	37.6 Å²	37.6	8%	0.084	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	1.4	-174.9	-56.7	-177.9	0	0	0	116.6	K395 I439 F507 V512 K513	K395-L509 HydrophobicContact CD-CD1 4.34Å; I439-L509 HydrophobicContact CD1-CD2 3.61Å; F507-L509 PolarHBondContact O-N 2.97Å; L509-V512 WeakPolarHBondContact O-CB 3.35Å; L509-K513 WeakPolarHBondContact O-CG 3.47Å
510	A	54.4	Low	67.3	Low	8 Å²	8	40.8 Å²	40.8	7%	0.066	23%	0.231	C	C	.	.	H	α-helix	trans	-79.7	-33.3	175.8	0	0	0	0	0	114.3	R487 G508 V512 K513 S514	R487-A510 HydrophobicContact CB-CB 3.43Å; R487-A510 VanDerWaalsContact CB-CB 3.43Å; R487-A510 HydrophobicContact CG-CB 4.15Å; G508-A510 PolarHBondContact O-N 2.92Å; A510-V512 PolarHBondContact O-N 3.24Å; A510-K513 HydrophobicContact CB-CD 4.24Å; A510-K513 WeakPolarHBondContact O-CB 3.4Å; A510-K513 PolarHBondContact O-N 2.83Å; A510-K513 VanDerWaalsContact O-N 3.09Å; A510-S514 PolarHBondContact O-N 2.92Å
511	T	53.5	Low	65.4	Low	23 Å²	23	45.4 Å²	45.4	14%	0.141	25%	0.252	C	S	.	.	H	α-helix	trans	-58.8	-30	171.3	54.7	0	0	0	0	112.2	E413 G508 S514 R515	E413-T511 PolarHBondContact OE1-OG1 2.89Å; G508-T511 PolarHBondContact O-N 3.47Å; G508-T511 PolarHBondContact O-OG1 3.39Å; T511-S514 PolarHBondContact O-OG 3.42Å; T511-R515 PolarHBondContact O-N 3.09Å
512	V	52.8	Low	63.1	Low	4 Å²	4	46.9 Å²	46.9	2%	0.024	26%	0.26	C	S	.	.	H	α-helix	trans	-74.4	-38.6	179.1	172.2	0	0	0	0	109.8	E413 L509 A510 S514 R515 W516	E413-V512 HydrophobicContact CB-CG2 4.42Å; E413-V512 HydrophobicContact CG-CG2 3.4Å; E413-V512 VanDerWaalsContact CG-CG2 3.4Å; L509-V512 WeakPolarHBondContact O-CB 3.35Å; A510-V512 PolarHBondContact O-N 3.24Å; V512-S514 PolarHBondContact O-N 3.42Å; V512-R515 PolarHBondContact O-N 2.86Å; V512-W516 HydrophobicContact CG1-CD2 3.56Å; V512-W516 HydrophobicContact CG1-CE3 3.91Å; V512-W516 HydrophobicContact CG1-CG 4.29Å; V512-W516 HydrophobicContact CG1-CH2 3.43Å; V512-W516 VanDerWaalsContact CG1-CH2 3.43Å; V512-W516 HydrophobicContact CG1-CZ2 3.05Å; V512-W516 HydrophobicContact CG1-CZ3 3.83Å; V512-W516 VanDerWaalsContact O-CB 3.32Å; V512-W516 WeakPolarHBondContact O-CB 3.37Å; V512-W516 PolarHBondContact O-N 3.26Å; V512-W516 VanDerWaalsContact O-N 3.1Å
513	K	53.7	Low	61.1	Low	42 Å²	42	48.9 Å²	48.9	18%	0.183	27%	0.27	C	S	.	.	H	α-helix	trans	-56.6	-46.7	174.5	-50.9	176.7	-169.8	-174	0	112.1	F380 D488 L509 A510 W516	F380-K513 HydrophobicContact CD1-CD 4.29Å; F380-K513 HydrophobicContact CD1-CG 3.79Å; F380-K513 HydrophobicContact CE1-CB 4.23Å; F380-K513 HydrophobicContact CE1-CD 3.44Å; F380-K513 VanDerWaalsContact CE1-CD 3.44Å; F380-K513 HydrophobicContact CE1-CG 3.35Å; F380-K513 HydrophobicContact CE2-CD 4.17Å; F380-K513 HydrophobicContact CZ-CD 3.36Å; F380-K513 HydrophobicContact CZ-CG 3.83Å; D488-K513 VanDerWaalsContact CG-NZ 3.27Å; D488-K513 IonicContact OD1-NZ 3.43Å; D488-K513 IonicContact OD2-NZ 3.5Å; D488-K513 PolarHBondContact OD2-NZ 2.75Å; L509-K513 WeakPolarHBondContact O-CG 3.47Å; A510-K513 HydrophobicContact CB-CD 4.24Å; A510-K513 WeakPolarHBondContact O-CB 3.4Å; A510-K513 PolarHBondContact O-N 2.83Å; A510-K513 VanDerWaalsContact O-N 3.09Å; K513-W516 PolarHBondContact O-N 3.44Å
514	S	51.3	Low	59.1	Low	8 Å²	8	53.7 Å²	53.7	6%	0.056	29%	0.293	C	S	.	.	H	α-helix	trans	-74.3	-32.4	-175.4	55.7	0	0	0	0	113.6	A510 T511 V512 W516 E523	A510-S514 PolarHBondContact O-N 2.92Å; T511-S514 PolarHBondContact O-OG 3.42Å; V512-S514 PolarHBondContact O-N 3.42Å; S514-W516 VanDerWaalsContact C-N 3.34Å; S514-E523 VanDerWaalsContact CB-CG 3.46Å
515	R	50.7	Low	57.1	Low	105 Å²	105	55.4 Å²	55.4	40%	0.396	30%	0.303	S	S	.	.	H	α-helix	trans	-78.8	-14.7	174.5	-69.4	-175.9	178	128	1.7	114.1	T511 V512	T511-R515 PolarHBondContact O-N 3.09Å; V512-R515 PolarHBondContact O-N 2.86Å
516	W	52.7	Low	55.2	Low	49 Å²	49	59.2 Å²	59.2	19%	0.186	33%	0.327	C	S	.	.	H	α-helix	trans	-82.4	-18.1	-178.4	-78.1	1.7	0	0	0	114.8	F380 L397 V399 V512 K513 S514 G518	F380-W516 HydrophobicContact CB-CZ3 3.89Å; F380-W516 HydrophobicContact CD1-CZ3 4.33Å; F380-W516 WeakPolarHBondContact O-CZ3 3.46Å; L397-W516 HydrophobicContact CB-CH2 3.92Å; L397-W516 HydrophobicContact CB-CZ2 4.28Å; L397-W516 HydrophobicContact CD1-CH2 3.85Å; L397-W516 HydrophobicContact CD1-CZ2 3.83Å; L397-W516 HydrophobicContact CD2-CH2 4.12Å; L397-W516 HydrophobicContact CG-CH2 4.16Å; V399-W516 HydrophobicContact CG2-CD2 4.33Å; V399-W516 HydrophobicContact CG2-CH2 4.49Å; V399-W516 HydrophobicContact CG2-CZ2 3.95Å; V512-W516 HydrophobicContact CG1-CD2 3.56Å; V512-W516 HydrophobicContact CG1-CE3 3.91Å; V512-W516 HydrophobicContact CG1-CG 4.29Å; V512-W516 HydrophobicContact CG1-CH2 3.43Å; V512-W516 VanDerWaalsContact CG1-CH2 3.43Å; V512-W516 HydrophobicContact CG1-CZ2 3.05Å; V512-W516 HydrophobicContact CG1-CZ3 3.83Å; V512-W516 VanDerWaalsContact O-CB 3.32Å; V512-W516 WeakPolarHBondContact O-CB 3.37Å; V512-W516 PolarHBondContact O-N 3.26Å; V512-W516 VanDerWaalsContact O-N 3.1Å; K513-W516 PolarHBondContact O-N 3.44Å; S514-W516 VanDerWaalsContact C-N 3.34Å; W516-G518 VanDerWaalsContact C-N 3.35Å
517	S	51.3	Low	54	Low	99 Å²	99	59.3 Å²	59.3	69%	0.692	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	9.8	179.3	-59.4	0	0	0	0	114.3
518	G	45.1	Very low	54	Low	42 Å²	42	59.7 Å²	59.7	43%	0.433	34%	0.344	S	S	.	.			trans	120.2	-178.8	-179.8	0	0	0	0	0	113.2	W516 Q520	W516-G518 VanDerWaalsContact C-N 3.35Å; G518-Q520 PolarHBondContact O-N 2.88Å
519	S	44.2	Very low	55.1	Low	129 Å²	129	60 Å²	60	90%	0.902	35%	0.345	S	S	*	.	S	Bend	trans	-71.2	-12.3	-176.2	52.5	0	0	0	0	114.5
520	Q	49.4	Very low	56.6	Low	149 Å²	149	61 Å²	61	70%	0.696	35%	0.35	S	S	*	.	S	Bend	trans	-88.3	121.9	169.3	-69.5	-179	-11	0	0	109.6	G518 V522	G518-Q520 PolarHBondContact O-N 2.88Å; Q520-V522 HydrophobicContact CB-CG2 4.04Å; Q520-V522 PolarHBondContact O-N 2.92Å
521	Q	51.2	Low	58.5	Low	145 Å²	145	61.3 Å²	61.3	68%	0.678	35%	0.35	S	S	*	.			trans	-72.3	66.4	177.5	-62.2	-178.9	18.3	0	0	111.4	E523	Q521-E523 PolarHBondContact O-N 3.32Å
522	V	48	Very low	60.4	Low	73 Å²	73	61.3 Å²	61.3	44%	0.442	35%	0.348	S	S	.	.			trans	-86.1	88.1	175.1	-168.2	0	0	0	0	108.3	Q520 Q524	Q520-V522 HydrophobicContact CB-CG2 4.04Å; Q520-V522 PolarHBondContact O-N 2.92Å; V522-Q524 VanDerWaalsContact C-N 3.25Å; V522-Q524 HydrophobicContact CG1-CG 4.14Å; V522-Q524 PolarHBondContact O-N 3.13Å
523	E	55.8	Low	62.3	Low	42 Å²	42	61.1 Å²	61.1	20%	0.196	35%	0.347	C	S	.	.			trans	-64.8	85.1	169.9	-79.7	-178.1	165.3	0	0	109.6	R487 S514 Q521 M539 F545	R487-E523 IonicContact NH1-OE1 2.7Å; R487-E523 PolarHBondContact NH1-OE1 3Å; S514-E523 VanDerWaalsContact CB-CG 3.46Å; Q521-E523 PolarHBondContact O-N 3.32Å; E523-M539 HydrophobicContact CB-CE 4.08Å; E523-M539 HydrophobicContact CB-SD 4.28Å; E523-M539 WeakPolarHBondContact O-CE 3.49Å; E523-F545 HydrophobicContact CG-CE2 4.48Å; E523-F545 WeakPolarHBondContact OE2-CD2 3.47Å; E523-F545 WeakPolarHBondContact OE2-CE2 3.34Å
524	Q	52.6	Low	64.2	Low	128 Å²	128	59.3 Å²	59.3	60%	0.598	34%	0.34	S	S	*	.			trans	-69.8	134.9	175.2	-76.7	-82.3	-8.2	0	0	110.8	V522 T526	V522-Q524 VanDerWaalsContact C-N 3.25Å; V522-Q524 HydrophobicContact CG1-CG 4.14Å; V522-Q524 PolarHBondContact O-N 3.13Å; Q524-T526 HydrophobicContact CB-CG2 3.94Å; Q524-T526 PolarHBondContact O-N 3.1Å
525	P	54	Low	66.2	Low	35 Å²	35	59.1 Å²	59.1	23%	0.227	34%	0.338	C	S	.	.			trans	-63.6	50.2	171.7	-28.7	38.8	0	0	0	116.7	G527 M532 M539 R574	P525-G527 PolarHBondContact O-N 3.43Å; P525-M532 HydrophobicContact CB-CE 3.78Å; P525-M532 HydrophobicContact CB-SD 4.1Å; P525-M532 HydrophobicContact CG-CE 4.28Å; P525-M539 HydrophobicContact CG-CE 4.1Å; P525-M539 HydrophobicContact CG-CG 4.33Å; P525-R574 PolarHBondContact O-NH2 2.96Å
526	T	51.4	Low	68.2	Low	81 Å²	81	54.2 Å²	54.2	50%	0.497	32%	0.32	S	S	.	.			trans	-84.5	110.6	-175.3	54.1	0	0	0	0	113.2	Q524	Q524-T526 HydrophobicContact CB-CG2 3.94Å; Q524-T526 PolarHBondContact O-N 3.1Å
527	G	56.9	Low	70	Confident	57 Å²	57	52.7 Å²	52.7	59%	0.588	32%	0.315	S	S	*	.	S	Bend	trans	107.4	-4.4	146.6	0	0	0	0	0	118	P525	P525-G527 PolarHBondContact O-N 3.43Å
528	S	77.6	Confident	71.8	Confident	14 Å²	14	52.3 Å²	52.3	10%	0.098	30%	0.299	C	S	.	.			trans	-150.2	39.4	-177.1	-61.1	0	0	0	0	114.3	K490 L530 W531	K490-S528 WeakPolarHBondContact CD-OG 3.45Å; K490-S528 PolarHBondContact NZ-OG 3.42Å; S528-L530 VanDerWaalsContact C-N 3.26Å; S528-L530 PolarHBondContact O-N 3.09Å; S528-L530 VanDerWaalsContact O-N 3.09Å; S528-W531 PolarHBondContact O-N 3.24Å; S528-W531 VanDerWaalsContact O-N 3.11Å
529	V	88.1	Confident	73.6	Confident	11 Å²	11	53.1 Å²	53.1	7%	0.067	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-48.2	-40.1	-173.5	171.5	0	0	0	0	114.6	W531 M532 R574 I577 I578	V529-W531 PolarHBondContact O-N 3.4Å; V529-M532 HydrophobicContact CG2-SD 4.32Å; V529-M532 WeakPolarHBondContact O-CB 3.35Å; V529-M532 PolarHBondContact O-N 3.43Å; V529-R574 HydrophobicContact CG2-CG 4.21Å; V529-R574 VanDerWaalsContact CG2-NE 3.29Å; V529-I577 HydrophobicContact CG1-CG2 4.12Å; V529-I578 HydrophobicContact CB-CG1 4.47Å; V529-I578 HydrophobicContact CG1-CG1 3.64Å; V529-I578 HydrophobicContact CG2-CD1 3.98Å; V529-I578 HydrophobicContact CG2-CG1 3.93Å
530	L	93.3	Very high	75.6	Confident	36 Å²	36	53.8 Å²	53.8	19%	0.188	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-58.7	-33.4	-175.9	-56.3	178.1	0	0	0	112.9	S528 I556 L566 P567 Y568 I577	S528-L530 VanDerWaalsContact C-N 3.26Å; S528-L530 PolarHBondContact O-N 3.09Å; S528-L530 VanDerWaalsContact O-N 3.09Å; L530-I556 WeakPolarHBondContact O-CG1 3.4Å; L530-L566 HydrophobicContact CD1-CB 4.21Å; L530-L566 HydrophobicContact CD1-CD1 4.05Å; L530-L566 HydrophobicContact CD1-CD2 4.21Å; L530-L566 HydrophobicContact CD1-CG 4.4Å; L530-P567 HydrophobicContact CB-CG 4.26Å; L530-Y568 HydrophobicContact CD2-CD2 3.98Å; L530-I577 HydrophobicContact CD2-CD1 4.03Å; L530-I577 HydrophobicContact CD2-CG2 4.49Å
531	W	94.9	Very high	77.2	Confident	15 Å²	15	49.7 Å²	49.7	6%	0.057	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-93.6	-4.5	179	-57.2	-94.6	0	0	0	113.1	Y450 M489 K490 S528 V529 S553 I556 E560 L566	Y450-W531 HydrophobicContact CD2-CH2 4.25Å; Y450-W531 HydrophobicContact CD2-CZ2 4.35Å; Y450-W531 HydrophobicContact CE2-CH2 4.15Å; M489-W531 WeakPolarHBondContact O-CB 3.29Å; K490-W531 HydrophobicContact CB-CB 4.4Å; K490-W531 HydrophobicContact CB-CD2 3.58Å; K490-W531 HydrophobicContact CB-CE3 4Å; K490-W531 HydrophobicContact CB-CG 3.75Å; K490-W531 HydrophobicContact CB-CZ2 4.38Å; S528-W531 PolarHBondContact O-N 3.24Å; S528-W531 VanDerWaalsContact O-N 3.11Å; V529-W531 PolarHBondContact O-N 3.4Å; W531-S553 VanDerWaalsContact O-CA 3.26Å; W531-S553 WeakPolarHBondContact O-CA 3.42Å; W531-S553 VanDerWaalsContact O-CB 3.29Å; W531-S553 WeakPolarHBondContact O-CB 3.43Å; W531-S553 PolarHBondContact O-OG 2.71Å; W531-I556 VanDerWaalsContact CD1-CG2 3.41Å; W531-I556 HydrophobicContact CG-CB 4.31Å; W531-I556 HydrophobicContact CG-CG2 3.94Å; W531-E560 PolarHBondContact NE1-OE2 2.84Å; W531-E560 VanDerWaalsContact NE1-OE2 3.13Å; W531-L566 HydrophobicContact CH2-CD2 4.09Å; W531-L566 HydrophobicContact CZ2-CD2 3.82Å
532	M	92.6	Very high	78.5	Confident	23 Å²	23	51.3 Å²	51.3	11%	0.113	28%	0.277	C	S	.	.			trans	-77	132.1	-177.6	-66.1	-179.5	70.1	0	0	111.8	P525 V529 V536 I537 M539 Y552	P525-M532 HydrophobicContact CB-CE 3.78Å; P525-M532 HydrophobicContact CB-SD 4.1Å; P525-M532 HydrophobicContact CG-CE 4.28Å; V529-M532 HydrophobicContact CG2-SD 4.32Å; V529-M532 WeakPolarHBondContact O-CB 3.35Å; V529-M532 PolarHBondContact O-N 3.43Å; M532-V536 HydrophobicContact CE-CB 4.34Å; M532-V536 HydrophobicContact CE-CG1 3.59Å; M532-I537 HydrophobicContact CB-CD1 4.08Å; M532-I537 HydrophobicContact CB-CG1 3.66Å; M532-M539 HydrophobicContact CE-CE 4.26Å; M532-Y552 WeakPolarHBondContact O-CE1 3.45Å
533	A	94.2	Very high	80.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.277	C	S	.	.			trans	-67	149.4	175.7	0	0	0	0	0	111.8	E535 V536 I537 Y552	A533-E535 HydrophobicContact CB-CG 4.48Å; A533-E535 VanDerWaalsContact CB-OE1 3.31Å; A533-E535 WeakPolarHBondContact CB-OE1 3.41Å; A533-E535 PolarHBondContact O-N 3.11Å; A533-E535 VanDerWaalsContact O-N 3.15Å; A533-V536 HydrophobicContact CB-CG2 4.11Å; A533-V536 CarbonylContact O-C 3.54Å; A533-V536 WeakPolarHBondContact O-CA 3.49Å; A533-V536 PolarHBondContact O-N 3.39Å; A533-I537 PolarHBondContact O-N 2.89Å; A533-Y552 HydrophobicContact CB-CD1 3.88Å; A533-Y552 HydrophobicContact CB-CD2 4.49Å; A533-Y552 HydrophobicContact CB-CG 3.79Å
534	P	93.4	Very high	81.6	Confident	4 Å²	4	50 Å²	50	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-52	-38.9	-179.3	-30.2	36.3	0	0	0	114.4	I537 R538 Y552 V581	P534-I537 PolarHBondContact O-N 3.34Å; P534-R538 VanDerWaalsContact C-NH1 3.33Å; P534-R538 WeakPolarHBondContact O-CG 3.32Å; P534-R538 PolarHBondContact O-N 2.89Å; P534-R538 PolarHBondContact O-NH1 3.33Å; P534-R538 VanDerWaalsContact O-NH1 3.17Å; P534-Y552 HydrophobicContact CG-CE2 4.18Å; P534-V581 WeakPolarHBondContact CB-O 3.5Å; P534-V581 HydrophobicContact CG-CG1 4.09Å
535	E	93.1	Very high	83.4	Confident	4 Å²	4	45 Å²	45	2%	0.019	25%	0.245	C	C	.	.	H	α-helix	trans	-68.1	-36.6	176.2	66	-80.6	-170	0	0	113.4	A533 R538 M539 K613 R616	A533-E535 HydrophobicContact CB-CG 4.48Å; A533-E535 VanDerWaalsContact CB-OE1 3.31Å; A533-E535 WeakPolarHBondContact CB-OE1 3.41Å; A533-E535 PolarHBondContact O-N 3.11Å; A533-E535 VanDerWaalsContact O-N 3.15Å; E535-R538 PolarHBondContact O-N 2.94Å; E535-M539 PolarHBondContact O-N 3.41Å; E535-M539 VanDerWaalsContact O-N 3.08Å; E535-K613 HydrophobicContact CG-CD 4.09Å; E535-R616 IonicContact OE1-CZ 3.74Å; E535-R616 IonicContact OE1-NH1 3.97Å; E535-R616 PolarHBondContact OE1-NH1 3.48Å; E535-R616 IonicContact OE1-NH2 2.88Å; E535-R616 PolarHBondContact OE1-NH2 2.87Å; E535-R616 IonicContact OE2-CZ 2.66Å; E535-R616 IonicContact OE2-NH1 2.92Å; E535-R616 IonicContact OE2-NH2 2.75Å; E535-R616 PolarHBondContact OE2-NH2 3.17Å
536	V	91.6	Very high	85.2	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-73	-30.5	174.3	-171.7	0	0	0	0	110.8	M532 A533 R538 M539 P544 F545	M532-V536 HydrophobicContact CE-CB 4.34Å; M532-V536 HydrophobicContact CE-CG1 3.59Å; A533-V536 HydrophobicContact CB-CG2 4.11Å; A533-V536 CarbonylContact O-C 3.54Å; A533-V536 WeakPolarHBondContact O-CA 3.49Å; A533-V536 PolarHBondContact O-N 3.39Å; V536-R538 VanDerWaalsContact C-N 3.34Å; V536-M539 HydrophobicContact CG1-CE 3.82Å; V536-M539 HydrophobicContact CG1-SD 4.48Å; V536-M539 WeakPolarHBondContact O-CE 3.39Å; V536-M539 VanDerWaalsContact O-CG 3.3Å; V536-M539 WeakPolarHBondContact O-CG 3.21Å; V536-P544 HydrophobicContact CG2-CB 4.34Å; V536-F545 HydrophobicContact CG1-CD1 4.13Å; V536-F545 HydrophobicContact CG1-CE1 3.52Å; V536-F545 HydrophobicContact CG1-CE2 3.95Å; V536-F545 HydrophobicContact CG1-CZ 3.41Å; V536-F545 VanDerWaalsContact CG1-CZ 3.41Å; V536-F545 HydrophobicContact CG2-CD1 4.28Å; V536-F545 HydrophobicContact CG2-CE1 4.41Å
537	I	90.5	Very high	87.3	Confident	17 Å²	17	43.1 Å²	43.1	9%	0.087	23%	0.229	C	C	.	.	H	α-helix	trans	-67.6	-36	171.1	-69.7	175.7	0	0	0	111.3	M532 A533 P534 I578 V581	M532-I537 HydrophobicContact CB-CD1 4.08Å; M532-I537 HydrophobicContact CB-CG1 3.66Å; A533-I537 PolarHBondContact O-N 2.89Å; P534-I537 PolarHBondContact O-N 3.34Å; I537-I578 HydrophobicContact CG2-CB 4.47Å; I537-I578 HydrophobicContact CG2-CG2 3.81Å; I537-I578 WeakPolarHBondContact CG2-O 3.45Å; I537-V581 HydrophobicContact CD1-CB 3.9Å; I537-V581 HydrophobicContact CD1-CG1 3.66Å
538	R	89.2	Confident	89.2	Confident	91 Å²	91	43 Å²	43	34%	0.343	21%	0.214	S	C	.	.	H	α-helix	trans	-76.4	-29.6	-179.9	-73	-169	-53.1	-78.8	-4.8	114	P534 E535 V536 Q540 G582	P534-R538 VanDerWaalsContact C-NH1 3.33Å; P534-R538 WeakPolarHBondContact O-CG 3.32Å; P534-R538 PolarHBondContact O-N 2.89Å; P534-R538 PolarHBondContact O-NH1 3.33Å; P534-R538 VanDerWaalsContact O-NH1 3.17Å; E535-R538 PolarHBondContact O-N 2.94Å; V536-R538 VanDerWaalsContact C-N 3.34Å; R538-Q540 HydrophobicContact CB-CB 4.44Å; R538-Q540 HydrophobicContact CB-CG 4.02Å; R538-Q540 VanDerWaalsContact NE-OE1 3.11Å; R538-Q540 PolarHBondContact O-N 3.41Å; R538-G582 VanDerWaalsContact CD-O 3.29Å; R538-G582 WeakPolarHBondContact CD-O 3.33Å; R538-G582 WeakPolarHBondContact CG-O 3.35Å; R538-G582 PolarHBondContact NH1-O 3.21Å
539	M	84.7	Confident	90.1	Very high	59 Å²	59	42.5 Å²	42.5	29%	0.291	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	40.2	-176.2	-62.2	-65.3	-173.7	0	0	113.2	E523 P525 M532 E535 V536 P544 F545	E523-M539 HydrophobicContact CB-CE 4.08Å; E523-M539 HydrophobicContact CB-SD 4.28Å; E523-M539 WeakPolarHBondContact O-CE 3.49Å; P525-M539 HydrophobicContact CG-CE 4.1Å; P525-M539 HydrophobicContact CG-CG 4.33Å; M532-M539 HydrophobicContact CE-CE 4.26Å; E535-M539 PolarHBondContact O-N 3.41Å; E535-M539 VanDerWaalsContact O-N 3.08Å; V536-M539 HydrophobicContact CG1-CE 3.82Å; V536-M539 HydrophobicContact CG1-SD 4.48Å; V536-M539 WeakPolarHBondContact O-CE 3.39Å; V536-M539 VanDerWaalsContact O-CG 3.3Å; V536-M539 WeakPolarHBondContact O-CG 3.21Å; M539-P544 HydrophobicContact SD-CG 3.54Å; M539-P544 VanDerWaalsContact SD-CG 3.54Å; M539-F545 HydrophobicContact CE-CE2 4.18Å; M539-F545 HydrophobicContact CE-CZ 4.36Å
540	Q	85.4	Confident	90.5	Very high	143 Å²	143	42 Å²	42	67%	0.668	21%	0.207	S	C	*	.			trans	-96.3	-25.2	-177.6	-77.8	173.7	-29.6	0	0	114	R538	R538-Q540 HydrophobicContact CB-CB 4.44Å; R538-Q540 HydrophobicContact CB-CG 4.02Å; R538-Q540 VanDerWaalsContact NE-OE1 3.11Å; R538-Q540 PolarHBondContact O-N 3.41Å
541	D	82.9	Confident	90.7	Very high	63 Å²	63	40.3 Å²	40.3	34%	0.337	20%	0.198	S	C	.	.	S	Bend	trans	-87.9	143.6	176.1	-59	-7.8	0	0	0	108.6	N543 P544 K613	D541-N543 PolarHBondContact O-N 2.92Å; D541-N543 VanDerWaalsContact O-N 3.08Å; D541-P544 HydrophobicContact CB-CB 4.42Å; D541-P544 WeakPolarHBondContact O-CD 3.41Å; D541-K613 IonicContact OD2-NZ 3.55Å; D541-K613 PolarHBondContact OD2-NZ 3.1Å
542	D	79	Confident	90.8	Very high	179 Å²	179	39.8 Å²	39.8	96%	0.957	20%	0.196	S	C	*	.	S	Bend	trans	-55.6	-29.2	178.9	-66.4	-38.4	0	0	0	113.9
543	N	81.6	Confident	91.1	Very high	83 Å²	83	39.2 Å²	39.2	44%	0.444	19%	0.194	S	C	.	.	S	Bend	trans	-138.2	90.2	171.1	173.7	66.4	0	0	0	108.4	D541 F545	D541-N543 PolarHBondContact O-N 2.92Å; D541-N543 VanDerWaalsContact O-N 3.08Å; N543-F545 VanDerWaalsContact C-N 3.28Å; N543-F545 PolarHBondContact ND2-O 3.3Å; N543-F545 PolarHBondContact O-N 3.05Å
544	P	87.5	Confident	91.3	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.026	19%	0.194	C	C	.	.			trans	-76.8	-20.2	-176	30.5	-30.8	0	0	0	111.8	V536 M539 D541	V536-P544 HydrophobicContact CG2-CB 4.34Å; M539-P544 HydrophobicContact SD-CG 3.54Å; M539-P544 VanDerWaalsContact SD-CG 3.54Å; D541-P544 HydrophobicContact CB-CB 4.42Å; D541-P544 WeakPolarHBondContact O-CD 3.41Å
545	F	89.2	Confident	91.5	Very high	23 Å²	23	39 Å²	39	10%	0.101	19%	0.193	C	C	.	.			trans	-75.5	121.1	174.2	-69	-80	0	0	0	111.5	R487 E523 V536 M539 N543	R487-F545 HydrophobicContact CB-CD1 3.67Å; R487-F545 HydrophobicContact CB-CE1 3.91Å; R487-F545 HydrophobicContact CB-CG 4.29Å; R487-F545 HydrophobicContact CG-CB 4.06Å; R487-F545 HydrophobicContact CG-CD1 3.83Å; R487-F545 HydrophobicContact CG-CG 4.02Å; R487-F545 WeakPolarHBondContact O-CE1 2.94Å; E523-F545 HydrophobicContact CG-CE2 4.48Å; E523-F545 WeakPolarHBondContact OE2-CD2 3.47Å; E523-F545 WeakPolarHBondContact OE2-CE2 3.34Å; V536-F545 HydrophobicContact CG1-CD1 4.13Å; V536-F545 HydrophobicContact CG1-CE1 3.52Å; V536-F545 HydrophobicContact CG1-CE2 3.95Å; V536-F545 HydrophobicContact CG1-CZ 3.41Å; V536-F545 VanDerWaalsContact CG1-CZ 3.41Å; V536-F545 HydrophobicContact CG2-CD1 4.28Å; V536-F545 HydrophobicContact CG2-CE1 4.41Å; M539-F545 HydrophobicContact CE-CE2 4.18Å; M539-F545 HydrophobicContact CE-CZ 4.36Å; N543-F545 VanDerWaalsContact C-N 3.28Å; N543-F545 PolarHBondContact ND2-O 3.3Å; N543-F545 PolarHBondContact O-N 3.05Å
546	S	92.8	Very high	91.7	Very high	19 Å²	19	38.8 Å²	38.8	13%	0.133	19%	0.192	C	C	.	.			trans	-142.3	173	-177.5	60.2	0	0	0	0	110.8	Q548 S549 D550	S546-Q548 PolarHBondContact O-N 2.7Å; S546-Q548 PolarHBondContact OG-N 2.8Å; S546-S549 PolarHBondContact N-OG 2.72Å; S546-S549 PolarHBondContact O-N 3.33Å; S546-S549 VanDerWaalsContact O-N 3.14Å; S546-S549 PolarHBondContact O-OG 3.38Å; S546-S549 PolarHBondContact OG-N 2.91Å; S546-S549 VanDerWaalsContact OG-N 3.12Å; S546-D550 PolarHBondContact O-N 3.04Å
547	F	95.6	Very high	92	Very high	57 Å²	57	38.7 Å²	38.7	25%	0.25	19%	0.191	C	C	.	.	H	α-helix	trans	-57.5	-36.5	169.3	-59.8	-36.3	0	0	0	111.2	H480 N483 I485 S549 D550 V551 L618	H480-F547 HydrophobicContact CB-CD1 4.14Å; H480-F547 HydrophobicContact CB-CE1 4.28Å; H480-F547 AromaticContact CD2-CD1 3.72Å; H480-F547 VanDerWaalsContact CE1-CA 3.43Å; H480-F547 WeakPolarHBondContact CE1-CA 3.33Å; H480-F547 AromaticContact CE1-CD1 3.67Å; H480-F547 AromaticContact CE1-CG 3.96Å; H480-F547 PolarHBondContact CE1-O 3.06Å; H480-F547 AromaticContact CG-CD1 3.55Å; H480-F547 WeakPolarHBondContact ND1-CB 3.32Å; H480-F547 AromaticContact ND1-CD1 3.52Å; H480-F547 AromaticContact ND1-CG 3.63Å; H480-F547 AromaticContact NE2-CD1 3.78Å; N483-F547 HydrophobicContact CB-CZ 4.47Å; I485-F547 HydrophobicContact CG1-CD1 3.81Å; I485-F547 HydrophobicContact CG1-CE1 3.75Å; F547-S549 PolarHBondContact O-N 3.43Å; F547-D550 PolarHBondContact O-N 3.4Å; F547-V551 WeakPolarHBondContact O-CG2 3.44Å; F547-V551 PolarHBondContact O-N 3.27Å; F547-L618 HydrophobicContact CB-CD2 4.2Å
548	Q	96.9	Very high	92.4	Very high	56 Å²	56	37.9 Å²	37.9	26%	0.262	19%	0.187	S	C	.	.	H	α-helix	trans	-70.5	-27.9	177.8	-63.9	85.5	-17.1	0	0	113.1	S546 V551 Y552 K613 R616 L618	S546-Q548 PolarHBondContact O-N 2.7Å; S546-Q548 PolarHBondContact OG-N 2.8Å; Q548-V551 PolarHBondContact O-N 2.93Å; Q548-Y552 PolarHBondContact O-N 3.04Å; Q548-Y552 VanDerWaalsContact O-N 3.17Å; Q548-K613 HydrophobicContact CB-CB 4.02Å; Q548-K613 WeakPolarHBondContact CG-O 3.37Å; Q548-R616 WeakPolarHBondContact O-CD 3.44Å; Q548-R616 PolarHBondContact O-NH1 2.9Å; Q548-L618 HydrophobicContact CG-CD2 4.19Å
549	S	95.1	Very high	92.7	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-71.2	-41.4	173.2	69.6	0	0	0	0	111.4	S546 F547 V551 Y552 S553	S546-S549 PolarHBondContact N-OG 2.72Å; S546-S549 PolarHBondContact O-N 3.33Å; S546-S549 VanDerWaalsContact O-N 3.14Å; S546-S549 PolarHBondContact O-OG 3.38Å; S546-S549 PolarHBondContact OG-N 2.91Å; S546-S549 VanDerWaalsContact OG-N 3.12Å; F547-S549 PolarHBondContact O-N 3.43Å; S549-V551 VanDerWaalsContact C-N 3.28Å; S549-V551 PolarHBondContact O-N 3.13Å; S549-Y552 PolarHBondContact O-N 3.01Å; S549-S553 PolarHBondContact O-N 3.46Å; S549-S553 VanDerWaalsContact O-N 3.1Å; S549-S553 PolarHBondContact O-OG 2.9Å
550	D	96.6	Very high	93.3	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-60.3	-37.4	171.9	-81.9	-7.4	0	0	0	111.8	M476 H480 I485 H486 R487 S546 F547 S553 Y554 F619	M476-D550 HydrophobicContact CE-CB 3.86Å; M476-D550 WeakPolarHBondContact CE-OD2 3.49Å; H480-D550 IonicContact CD2-OD2 3.76Å; H480-D550 IonicContact CE1-OD2 3.97Å; H480-D550 IonicContact NE2-OD2 2.71Å; H480-D550 PolarHBondContact NE2-OD2 2.96Å; I485-D550 WeakPolarHBondContact CG2-OD2 3.26Å; H486-D550 PolarHBondContact N-OD1 3.39Å; H486-D550 PolarHBondContact N-OD2 2.93Å; R487-D550 PolarHBondContact N-OD1 3.15Å; S546-D550 PolarHBondContact O-N 3.04Å; F547-D550 PolarHBondContact O-N 3.4Å; D550-S553 PolarHBondContact O-N 2.82Å; D550-Y554 WeakPolarHBondContact O-CB 3.4Å; D550-Y554 PolarHBondContact O-N 3.46Å; D550-F619 HydrophobicContact CB-CE2 4.34Å
551	V	98.3	Very high	93.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.2	-40.9	174.9	166.4	0	0	0	0	111.8	F547 Q548 S549 Y554 G555 C608 R616 P617 F619 I622	F547-V551 WeakPolarHBondContact O-CG2 3.44Å; F547-V551 PolarHBondContact O-N 3.27Å; Q548-V551 PolarHBondContact O-N 2.93Å; S549-V551 VanDerWaalsContact C-N 3.28Å; S549-V551 PolarHBondContact O-N 3.13Å; V551-Y554 PolarHBondContact O-N 2.84Å; V551-G555 PolarHBondContact O-N 3.24Å; V551-C608 HydrophobicContact CG1-CB 4.06Å; V551-R616 HydrophobicContact CG1-CB 3.88Å; V551-P617 WeakPolarHBondContact CG1-O 3.29Å; V551-P617 WeakPolarHBondContact CG2-O 3.34Å; V551-F619 HydrophobicContact CG2-CD2 3.89Å; V551-F619 HydrophobicContact CG2-CE2 3.62Å; V551-F619 HydrophobicContact CG2-CZ 4.22Å; V551-I622 HydrophobicContact CB-CD1 4.46Å; V551-I622 HydrophobicContact CG1-CD1 3.82Å; V551-I622 HydrophobicContact CG2-CD1 3.93Å
552	Y	97.8	Very high	94.5	Very high	3 Å²	3	21 Å²	21	1%	0.012	11%	0.109	C	C	.	.	H	α-helix	trans	-63	-46.9	174.9	178.8	-80.7	0	0	0	110.9	M532 A533 P534 Q548 S549 Y554 G555 I556 Y568 C608 V609	M532-Y552 WeakPolarHBondContact O-CE1 3.45Å; A533-Y552 HydrophobicContact CB-CD1 3.88Å; A533-Y552 HydrophobicContact CB-CD2 4.49Å; A533-Y552 HydrophobicContact CB-CG 3.79Å; P534-Y552 HydrophobicContact CG-CE2 4.18Å; Q548-Y552 PolarHBondContact O-N 3.04Å; Q548-Y552 VanDerWaalsContact O-N 3.17Å; S549-Y552 PolarHBondContact O-N 3.01Å; Y552-Y554 VanDerWaalsContact C-N 3.28Å; Y552-Y554 PolarHBondContact O-N 3.28Å; Y552-G555 CarbonylContact O-C 3.55Å; Y552-G555 WeakPolarHBondContact O-CA 3.22Å; Y552-G555 PolarHBondContact O-N 3.36Å; Y552-I556 HydrophobicContact CD1-CG1 4.08Å; Y552-I556 HydrophobicContact CE1-CD1 3.99Å; Y552-I556 HydrophobicContact CE1-CG1 3.68Å; Y552-I556 PolarHBondContact O-N 2.95Å; Y552-Y568 PolarHBondContact OH-OH 2.7Å; Y552-C608 WeakPolarHBondContact CA-O 3.32Å; Y552-V609 HydrophobicContact CD2-CB 4.3Å; Y552-V609 HydrophobicContact CE2-CB 4.08Å
553	S	97.1	Very high	95.2	Very high	11 Å²	11	13 Å²	13	8%	0.077	7%	0.068	C	C	.	.	H	α-helix	trans	-58	-40.8	176.5	-56.7	0	0	0	0	112.3	M489 W531 S549 D550 I556 V557	M489-S553 WeakPolarHBondContact O-CB 3.36Å; W531-S553 VanDerWaalsContact O-CA 3.26Å; W531-S553 WeakPolarHBondContact O-CA 3.42Å; W531-S553 VanDerWaalsContact O-CB 3.29Å; W531-S553 WeakPolarHBondContact O-CB 3.43Å; W531-S553 PolarHBondContact O-OG 2.71Å; S549-S553 PolarHBondContact O-N 3.46Å; S549-S553 VanDerWaalsContact O-N 3.1Å; S549-S553 PolarHBondContact O-OG 2.9Å; D550-S553 PolarHBondContact O-N 2.82Å; S553-I556 PolarHBondContact O-N 2.96Å; S553-V557 PolarHBondContact O-N 2.73Å; S553-V557 VanDerWaalsContact O-N 3.1Å
554	Y	98.4	Very high	95.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-66.2	-36.7	171.4	174.9	-99.3	0	0	0	113	A469 T472 A473 M489 D550 V551 Y552 I556 V557 L558 F619 I622 I626	A469-Y554 PolarHBondContact O-OH 2.96Å; T472-Y554 HydrophobicContact CG2-CD2 3.85Å; T472-Y554 HydrophobicContact CG2-CE2 3.66Å; A473-Y554 HydrophobicContact CB-CE2 4.38Å; M489-Y554 HydrophobicContact CE-CD2 4.02Å; D550-Y554 WeakPolarHBondContact O-CB 3.4Å; D550-Y554 PolarHBondContact O-N 3.46Å; V551-Y554 PolarHBondContact O-N 2.84Å; Y552-Y554 VanDerWaalsContact C-N 3.28Å; Y552-Y554 PolarHBondContact O-N 3.28Å; Y554-I556 VanDerWaalsContact C-N 3.25Å; Y554-I556 PolarHBondContact O-N 2.88Å; Y554-V557 CarbonylContact O-C 3.58Å; Y554-V557 WeakPolarHBondContact O-CB 3.33Å; Y554-V557 PolarHBondContact O-N 3.45Å; Y554-V557 VanDerWaalsContact O-N 3.1Å; Y554-L558 HydrophobicContact CD1-CD1 4.13Å; Y554-L558 HydrophobicContact CD1-CG 4.17Å; Y554-L558 HydrophobicContact CE1-CD1 3.53Å; Y554-L558 HydrophobicContact CE1-CD2 4.06Å; Y554-L558 HydrophobicContact CE1-CG 3.64Å; Y554-L558 HydrophobicContact CE2-CD2 4.45Å; Y554-L558 HydrophobicContact CE2-CG 4.49Å; Y554-L558 PolarHBondContact O-N 2.98Å; Y554-L558 WeakPolarHBondContact OH-CD2 3.27Å; Y554-F619 AromaticContact CD1-CE1 3.77Å; Y554-F619 HydrophobicContact CD1-CE1 3.77Å; Y554-F619 HydrophobicContact CD1-CZ 4.23Å; Y554-F619 AromaticContact CD2-CE1 3.98Å; Y554-F619 HydrophobicContact CD2-CE1 3.98Å; Y554-F619 HydrophobicContact CD2-CZ 4.42Å; Y554-F619 HydrophobicContact CE1-CE1 4.24Å; Y554-F619 HydrophobicContact CE2-CE1 4.43Å; Y554-F619 AromaticContact CG-CE1 3.62Å; Y554-F619 HydrophobicContact CG-CE1 3.62Å; Y554-F619 AromaticContact CG-CZ 3.85Å; Y554-F619 HydrophobicContact CG-CZ 3.85Å; Y554-I622 HydrophobicContact CD1-CD1 4.39Å; Y554-I622 HydrophobicContact CD1-CG2 4.3Å; Y554-I622 HydrophobicContact CE1-CG2 3.52Å; Y554-I626 WeakPolarHBondContact OH-CD1 3.44Å
555	G	98.1	Very high	96	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.8	-34.4	171.5	0	0	0	0	0	113	V551 Y552 L558 Y559	V551-G555 PolarHBondContact O-N 3.24Å; Y552-G555 CarbonylContact O-C 3.55Å; Y552-G555 WeakPolarHBondContact O-CA 3.22Å; Y552-G555 PolarHBondContact O-N 3.36Å; G555-L558 PolarHBondContact O-N 3.44Å; G555-Y559 PolarHBondContact O-N 2.87Å
556	I	97.8	Very high	96.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-70.5	-40.5	171.5	-58.7	-63.9	0	0	0	111.4	L530 W531 Y552 S553 Y554 L558 Y559 E560 P567 P588 V609	L530-I556 WeakPolarHBondContact O-CG1 3.4Å; W531-I556 VanDerWaalsContact CD1-CG2 3.41Å; W531-I556 HydrophobicContact CG-CB 4.31Å; W531-I556 HydrophobicContact CG-CG2 3.94Å; Y552-I556 HydrophobicContact CD1-CG1 4.08Å; Y552-I556 HydrophobicContact CE1-CD1 3.99Å; Y552-I556 HydrophobicContact CE1-CG1 3.68Å; Y552-I556 PolarHBondContact O-N 2.95Å; S553-I556 PolarHBondContact O-N 2.96Å; Y554-I556 VanDerWaalsContact C-N 3.25Å; Y554-I556 PolarHBondContact O-N 2.88Å; I556-L558 VanDerWaalsContact C-N 3.29Å; I556-L558 PolarHBondContact O-N 2.68Å; I556-Y559 WeakPolarHBondContact O-CB 3.32Å; I556-Y559 PolarHBondContact O-N 3.35Å; I556-Y559 VanDerWaalsContact O-N 3.16Å; I556-E560 WeakPolarHBondContact O-CB 3.37Å; I556-E560 PolarHBondContact O-N 2.96Å; I556-P567 HydrophobicContact CD1-CG 4.48Å; I556-P567 HydrophobicContact CG2-CG 3.86Å; I556-P588 HydrophobicContact CD1-CG 3.39Å; I556-V609 HydrophobicContact CD1-CG1 4.06Å
557	V	98.2	Very high	96.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.8	-36.7	171.6	174	0	0	0	0	111.6	L449 I494 S553 Y554 E560 L561	L449-V557 HydrophobicContact CD2-CG1 3.97Å; I494-V557 HydrophobicContact CD1-CB 4.46Å; I494-V557 HydrophobicContact CD1-CG1 3.65Å; I494-V557 HydrophobicContact CD1-CG2 4.06Å; S553-V557 PolarHBondContact O-N 2.73Å; S553-V557 VanDerWaalsContact O-N 3.1Å; Y554-V557 CarbonylContact O-C 3.58Å; Y554-V557 WeakPolarHBondContact O-CB 3.33Å; Y554-V557 PolarHBondContact O-N 3.45Å; Y554-V557 VanDerWaalsContact O-N 3.1Å; V557-E560 WeakPolarHBondContact O-CB 3.48Å; V557-E560 PolarHBondContact O-N 3.06Å; V557-L561 HydrophobicContact CG1-CD1 4.16Å; V557-L561 WeakPolarHBondContact O-CB 3.42Å; V557-L561 WeakPolarHBondContact O-CG 3.41Å; V557-L561 PolarHBondContact O-N 3.48Å
558	L	98.1	Very high	95.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-65.7	-40.1	172.6	-73.4	-176.7	0	0	0	112.4	A469 Y554 G555 I556 E560 M562 M601 L604 V605	A469-L558 HydrophobicContact CB-CD2 3.58Å; Y554-L558 HydrophobicContact CD1-CD1 4.13Å; Y554-L558 HydrophobicContact CD1-CG 4.17Å; Y554-L558 HydrophobicContact CE1-CD1 3.53Å; Y554-L558 HydrophobicContact CE1-CD2 4.06Å; Y554-L558 HydrophobicContact CE1-CG 3.64Å; Y554-L558 HydrophobicContact CE2-CD2 4.45Å; Y554-L558 HydrophobicContact CE2-CG 4.49Å; Y554-L558 PolarHBondContact O-N 2.98Å; Y554-L558 WeakPolarHBondContact OH-CD2 3.27Å; G555-L558 PolarHBondContact O-N 3.44Å; I556-L558 VanDerWaalsContact C-N 3.29Å; I556-L558 PolarHBondContact O-N 2.68Å; L558-E560 VanDerWaalsContact C-N 3.35Å; L558-M562 VanDerWaalsContact O-CB 3.24Å; L558-M562 WeakPolarHBondContact O-CB 3.44Å; L558-M562 WeakPolarHBondContact O-CG 3.15Å; L558-M562 PolarHBondContact O-N 3.43Å; L558-M601 HydrophobicContact CD1-SD 4.41Å; L558-M601 HydrophobicContact CD2-SD 4.22Å; L558-L604 HydrophobicContact CD1-CD2 4.28Å; L558-L604 HydrophobicContact CD1-CG 4.17Å; L558-V605 HydrophobicContact CB-CG2 3.92Å
559	Y	96.6	Very high	95.3	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.008	7%	0.071	C	C	.	.	H	α-helix	trans	-58.3	-49.5	172	176.2	-81.1	0	0	0	110.4	G555 I556 L561 M562 A563 E565 P567 P588 D589 L593	G555-Y559 PolarHBondContact O-N 2.87Å; I556-Y559 WeakPolarHBondContact O-CB 3.32Å; I556-Y559 PolarHBondContact O-N 3.35Å; I556-Y559 VanDerWaalsContact O-N 3.16Å; Y559-L561 PolarHBondContact O-N 3.38Å; Y559-M562 CarbonylContact O-C 3.58Å; Y559-M562 PolarHBondContact O-N 3.05Å; Y559-A563 HydrophobicContact CD1-CB 4.3Å; Y559-A563 HydrophobicContact CE1-CB 3.92Å; Y559-A563 WeakPolarHBondContact O-CB 3.43Å; Y559-A563 PolarHBondContact O-N 3.07Å; Y559-E565 HydrophobicContact CE1-CG 4.47Å; Y559-E565 WeakPolarHBondContact CE1-O 3.45Å; Y559-E565 PolarHBondContact OH-OE1 2.86Å; Y559-P567 HydrophobicContact CD1-CB 4.05Å; Y559-P567 HydrophobicContact CE1-CB 3.93Å; Y559-P588 HydrophobicContact CD2-CB 3.53Å; Y559-P588 HydrophobicContact CE2-CB 3.78Å; Y559-P588 HydrophobicContact CG-CB 4.13Å; Y559-D589 WeakPolarHBondContact CE2-O 3.37Å; Y559-L593 HydrophobicContact CD2-CD2 3.82Å; Y559-L593 HydrophobicContact CE2-CD2 4.17Å; Y559-L593 HydrophobicContact CG-CD2 4.38Å
560	E	96.7	Very high	94.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-56.5	-46.8	179.9	-156.9	-177.4	145.7	0	0	111.7	L453 H454 S491 W531 I556 V557 L558 M562 G564 L566	L453-E560 HydrophobicContact CD1-CB 4.43Å; L453-E560 HydrophobicContact CD1-CG 3.88Å; H454-E560 IonicContact CD2-OE1 3.21Å; H454-E560 WeakPolarHBondContact NE2-CG 3.13Å; H454-E560 IonicContact NE2-OE1 2.57Å; H454-E560 PolarHBondContact NE2-OE1 3.09Å; S491-E560 VanDerWaalsContact CB-CD 3.5Å; S491-E560 WeakPolarHBondContact CB-OE1 3.28Å; S491-E560 WeakPolarHBondContact CB-OE2 3.33Å; S491-E560 PolarHBondContact OG-OE1 3.43Å; S491-E560 PolarHBondContact OG-OE2 2.82Å; W531-E560 PolarHBondContact NE1-OE2 2.84Å; W531-E560 VanDerWaalsContact NE1-OE2 3.13Å; I556-E560 WeakPolarHBondContact O-CB 3.37Å; I556-E560 PolarHBondContact O-N 2.96Å; V557-E560 WeakPolarHBondContact O-CB 3.48Å; V557-E560 PolarHBondContact O-N 3.06Å; L558-E560 VanDerWaalsContact C-N 3.35Å; E560-M562 PolarHBondContact O-N 3.49Å; E560-G564 WeakPolarHBondContact O-CA 3.44Å; E560-G564 PolarHBondContact O-N 2.97Å; E560-L566 HydrophobicContact CG-CD2 4.22Å
561	L	97.4	Very high	94.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.9	-34.6	174	-76.4	166.8	0	0	0	113.7	L449 L453 L465 I468 A469 V557 Y559	L449-L561 HydrophobicContact CD1-CD2 3.88Å; L449-L561 HydrophobicContact CD2-CD1 4.4Å; L449-L561 HydrophobicContact CD2-CD2 3.98Å; L449-L561 HydrophobicContact CD2-CG 4.17Å; L449-L561 HydrophobicContact CG-CD2 4.45Å; L453-L561 HydrophobicContact CD1-CD2 4.34Å; L465-L561 WeakPolarHBondContact CD1-O 3.47Å; L465-L561 HydrophobicContact CD2-CB 4.46Å; L465-L561 HydrophobicContact CD2-CD2 3.73Å; I468-L561 HydrophobicContact CG2-CD1 4.26Å; I468-L561 HydrophobicContact CG2-CD2 4.01Å; A469-L561 HydrophobicContact CB-CD1 4.09Å; V557-L561 HydrophobicContact CG1-CD1 4.16Å; V557-L561 WeakPolarHBondContact O-CB 3.42Å; V557-L561 WeakPolarHBondContact O-CG 3.41Å; V557-L561 PolarHBondContact O-N 3.48Å; Y559-L561 PolarHBondContact O-N 3.38Å
562	M	95.9	Very high	93.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-97.9	-8.6	-172	-65.4	-65.4	130.2	0	0	114	M462 L465 I466 L558 Y559 E560 L593 Y594 M601	M462-M562 HydrophobicContact CE-SD 4.34Å; M462-M562 HydrophobicContact SD-CE 4.29Å; M462-M562 HydrophobicContact SD-SD 3.88Å; L465-M562 HydrophobicContact CB-CE 3.68Å; I466-M562 HydrophobicContact CG1-CE 4.25Å; L558-M562 VanDerWaalsContact O-CB 3.24Å; L558-M562 WeakPolarHBondContact O-CB 3.44Å; L558-M562 WeakPolarHBondContact O-CG 3.15Å; L558-M562 PolarHBondContact O-N 3.43Å; Y559-M562 CarbonylContact O-C 3.58Å; Y559-M562 PolarHBondContact O-N 3.05Å; E560-M562 PolarHBondContact O-N 3.49Å; M562-L593 HydrophobicContact CB-CD2 3.85Å; M562-L593 CarbonylContact O-C 3.54Å; M562-L593 WeakPolarHBondContact O-CA 3.48Å; M562-Y594 WeakPolarHBondContact O-CD2 3.34Å; M562-Y594 PolarHBondContact O-N 3.38Å; M562-M601 HydrophobicContact CE-CE 4.43Å; M562-M601 HydrophobicContact CE-CG 4.36Å; M562-M601 HydrophobicContact CG-CG 3.88Å; M562-M601 HydrophobicContact SD-CG 3.69Å
563	A	93.1	Very high	93.4	Very high	12 Å²	12	27.9 Å²	27.9	10%	0.099	16%	0.159	C	C	.	.	H	α-helix	trans	-112	-31.1	172.8	0	0	0	0	0	112.8	Y559 E565 L593 Y594	Y559-A563 HydrophobicContact CD1-CB 4.3Å; Y559-A563 HydrophobicContact CE1-CB 3.92Å; Y559-A563 WeakPolarHBondContact O-CB 3.43Å; Y559-A563 PolarHBondContact O-N 3.07Å; A563-E565 HydrophobicContact CB-CG 3.77Å; A563-E565 PolarHBondContact O-N 3.43Å; A563-L593 HydrophobicContact CB-CD2 4.17Å; A563-Y594 VanDerWaalsContact O-CE1 3.32Å; A563-Y594 WeakPolarHBondContact O-CE1 3.31Å
564	G	93.8	Very high	92.9	Very high	23 Å²	23	33.2 Å²	33.2	24%	0.237	18%	0.177	C	C	.	.	S	Bend	trans	77.2	1.8	-169.9	0	0	0	0	0	114.3	H454 E560 Y594	H454-G564 PolarHBondContact CE1-O 3.13Å; H454-G564 VanDerWaalsContact CE1-O 3.27Å; H454-G564 PolarHBondContact ND1-O 3.4Å; E560-G564 WeakPolarHBondContact O-CA 3.44Å; E560-G564 PolarHBondContact O-N 2.97Å; G564-Y594 WeakPolarHBondContact CA-OH 3.28Å
565	E	93.2	Very high	92.5	Very high	57 Å²	57	38.4 Å²	38.4	27%	0.266	21%	0.205	S	C	.	.	S	Bend	trans	-127.6	159	178.4	55.6	154.1	-124.6	0	0	111.4	Y559 A563 R592	Y559-E565 HydrophobicContact CE1-CG 4.47Å; Y559-E565 WeakPolarHBondContact CE1-O 3.45Å; Y559-E565 PolarHBondContact OH-OE1 2.86Å; A563-E565 HydrophobicContact CB-CG 3.77Å; A563-E565 PolarHBondContact O-N 3.43Å; E565-R592 VanDerWaalsContact CD-NH1 3.3Å; E565-R592 WeakPolarHBondContact OE1-CD 3.4Å; E565-R592 IonicContact OE1-CZ 3.52Å; E565-R592 IonicContact OE1-NE 3.67Å; E565-R592 IonicContact OE1-NH1 2.68Å; E565-R592 PolarHBondContact OE1-NH1 2.81Å; E565-R592 IonicContact OE2-CZ 2.71Å; E565-R592 IonicContact OE2-NH1 2.61Å; E565-R592 PolarHBondContact OE2-NH1 2.87Å
566	L	93.2	Very high	92.2	Very high	38 Å²	38	43 Å²	43	20%	0.199	23%	0.227	C	C	.	.			trans	-72.7	146.3	172	-68.2	172.9	0	0	0	110.8	Y450 H454 L530 W531 E560	Y450-L566 HydrophobicContact CE2-CD1 4.13Å; Y450-L566 HydrophobicContact CE2-CD2 4.17Å; H454-L566 WeakPolarHBondContact NE2-CD2 3.38Å; L530-L566 HydrophobicContact CD1-CB 4.21Å; L530-L566 HydrophobicContact CD1-CD1 4.05Å; L530-L566 HydrophobicContact CD1-CD2 4.21Å; L530-L566 HydrophobicContact CD1-CG 4.4Å; W531-L566 HydrophobicContact CH2-CD2 4.09Å; W531-L566 HydrophobicContact CZ2-CD2 3.82Å; E560-L566 HydrophobicContact CG-CD2 4.22Å
567	P	89.8	Confident	91.9	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.013	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	155.8	174.5	33.3	-39.7	0	0	0	110.7	L530 I556 Y559 A569 P588	L530-P567 HydrophobicContact CB-CG 4.26Å; I556-P567 HydrophobicContact CD1-CG 4.48Å; I556-P567 HydrophobicContact CG2-CG 3.86Å; Y559-P567 HydrophobicContact CD1-CB 4.05Å; Y559-P567 HydrophobicContact CE1-CB 3.93Å; P567-A569 PolarHBondContact O-N 2.93Å; P567-P588 HydrophobicContact CB-CB 4.25Å; P567-P588 HydrophobicContact CB-CG 4.41Å
568	Y	90.4	Very high	91.6	Very high	12 Å²	12	45.8 Å²	45.8	5%	0.047	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	20.5	176.8	-38	-69.4	0	0	0	115.2	L530 Y552 H570 I571 I577 V581 A586 S587 P588	L530-Y568 HydrophobicContact CD2-CD2 3.98Å; Y552-Y568 PolarHBondContact OH-OH 2.7Å; Y568-H570 PolarHBondContact O-N 3.1Å; Y568-I571 PolarHBondContact O-N 3.21Å; Y568-I577 HydrophobicContact CD2-CG2 3.91Å; Y568-I577 HydrophobicContact CE2-CG2 4.32Å; Y568-I577 HydrophobicContact CG-CG2 4.26Å; Y568-V581 HydrophobicContact CE1-CG2 4.03Å; Y568-V581 HydrophobicContact CE2-CG2 4.05Å; Y568-A586 HydrophobicContact CD1-CB 4.48Å; Y568-A586 HydrophobicContact CE1-CB 4.02Å; Y568-S587 VanDerWaalsContact CE1-C 3.49Å; Y568-S587 WeakPolarHBondContact CE1-O 3.42Å; Y568-S587 WeakPolarHBondContact OH-CA 3.47Å; Y568-P588 WeakPolarHBondContact OH-CD 3.47Å
569	A	86.5	Confident	91.3	Very high	61 Å²	61	51 Å²	51	50%	0.504	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-7.9	-179.6	0	0	0	0	0	116.1	P567	P567-A569 PolarHBondContact O-N 2.93Å
570	H	85.2	Confident	91	Very high	100 Å²	100	53.2 Å²	53.2	46%	0.463	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-3	172.7	59.3	-87.8	0	0	0	113.7	Y568	Y568-H570 PolarHBondContact O-N 3.1Å
571	I	88.9	Confident	90.8	Very high	18 Å²	18	53.4 Å²	53.4	9%	0.092	28%	0.276	C	S	.	.			trans	-112.6	103.2	-178.5	-50.5	-177.1	0	0	0	108.8	Y568 N573 Q576 I577 M580	Y568-I571 PolarHBondContact O-N 3.21Å; I571-N573 VanDerWaalsContact C-N 3.31Å; I571-N573 PolarHBondContact O-N 2.84Å; I571-Q576 HydrophobicContact CG2-CB 4.01Å; I571-Q576 HydrophobicContact CG2-CG 3.92Å; I571-I577 HydrophobicContact CB-CD1 4.23Å; I571-I577 HydrophobicContact CB-CG1 3.87Å; I571-I577 HydrophobicContact CD1-CG1 4.38Å; I571-I577 HydrophobicContact CG2-CD1 4.37Å; I571-I577 HydrophobicContact CG2-CG1 3.66Å; I571-M580 HydrophobicContact CD1-CE 4.37Å; I571-M580 HydrophobicContact CD1-SD 3.97Å
572	N	83.5	Confident	90.5	Very high	168 Å²	168	53.6 Å²	53.6	90%	0.898	28%	0.278	S	S	*	.			trans	-76.8	-15.6	-175.8	-65.1	-16.7	0	0	0	113.9
573	N	88.6	Confident	90.2	Very high	82 Å²	82	60.3 Å²	60.3	44%	0.439	30%	0.304	S	S	.	.			trans	-100.7	117.7	-178	-175	-13.6	0	0	0	111.7	I571 D575 Q576 I577	I571-N573 VanDerWaalsContact C-N 3.31Å; I571-N573 PolarHBondContact O-N 2.84Å; N573-D575 VanDerWaalsContact C-N 3.33Å; N573-D575 PolarHBondContact O-N 2.77Å; N573-D575 PolarHBondContact OD1-N 2.97Å; N573-Q576 HydrophobicContact CB-CB 3.86Å; N573-Q576 WeakPolarHBondContact O-CB 3.5Å; N573-Q576 PolarHBondContact O-N 3.2Å; N573-I577 PolarHBondContact O-N 3.01Å; N573-I577 VanDerWaalsContact O-N 3.15Å
574	R	88.3	Confident	89.8	Confident	122 Å²	122	60.8 Å²	60.8	46%	0.46	31%	0.309	S	S	.	.	H	α-helix	trans	-58.3	-41	176.7	177.9	177.5	169.2	-168.7	-7.8	112.8	P525 V529 Q576 I577 I578	P525-R574 PolarHBondContact O-NH2 2.96Å; V529-R574 HydrophobicContact CG2-CG 4.21Å; V529-R574 VanDerWaalsContact CG2-NE 3.29Å; R574-Q576 VanDerWaalsContact C-N 3.29Å; R574-Q576 PolarHBondContact O-N 3.03Å; R574-I577 WeakPolarHBondContact O-CB 3.24Å; R574-I577 PolarHBondContact O-N 3.49Å; R574-I578 HydrophobicContact CG-CD1 4.16Å; R574-I578 WeakPolarHBondContact O-CG1 3.44Å; R574-I578 PolarHBondContact O-N 3.33Å
575	D	90.1	Very high	89.4	Confident	110 Å²	110	66.7 Å²	66.7	59%	0.588	33%	0.326	S	S	*	.	H	α-helix	trans	-71.8	-29.4	-177.6	-62.1	-30.3	0	0	0	111.5	N573 I578 F579	N573-D575 VanDerWaalsContact C-N 3.33Å; N573-D575 PolarHBondContact O-N 2.77Å; N573-D575 PolarHBondContact OD1-N 2.97Å; D575-I578 PolarHBondContact O-N 3.15Å; D575-F579 WeakPolarHBondContact O-CB 3.38Å; D575-F579 PolarHBondContact O-N 2.87Å
576	Q	91.9	Very high	89	Confident	96 Å²	96	64.7 Å²	64.7	45%	0.449	32%	0.319	S	S	.	.	H	α-helix	trans	-65.5	-42.7	169.8	-172.8	177.8	9.6	0	0	111.2	I571 N573 R574 F579 M580	I571-Q576 HydrophobicContact CG2-CB 4.01Å; I571-Q576 HydrophobicContact CG2-CG 3.92Å; N573-Q576 HydrophobicContact CB-CB 3.86Å; N573-Q576 WeakPolarHBondContact O-CB 3.5Å; N573-Q576 PolarHBondContact O-N 3.2Å; R574-Q576 VanDerWaalsContact C-N 3.29Å; R574-Q576 PolarHBondContact O-N 3.03Å; Q576-F579 PolarHBondContact O-N 2.91Å; Q576-M580 HydrophobicContact CG-CG 4.36Å; Q576-M580 HydrophobicContact CG-SD 3.72Å; Q576-M580 WeakPolarHBondContact O-CB 3.48Å; Q576-M580 VanDerWaalsContact O-CG 3.23Å; Q576-M580 WeakPolarHBondContact O-CG 3.39Å; Q576-M580 PolarHBondContact O-N 2.81Å
577	I	90.6	Very high	88.7	Confident	14 Å²	14	64.8 Å²	64.8	7%	0.072	32%	0.323	C	S	.	.	H	α-helix	trans	-62	-47.5	173.1	-60.5	171.9	0	0	0	110.5	V529 L530 Y568 I571 N573 R574 F579 M580 V581	V529-I577 HydrophobicContact CG1-CG2 4.12Å; L530-I577 HydrophobicContact CD2-CD1 4.03Å; L530-I577 HydrophobicContact CD2-CG2 4.49Å; Y568-I577 HydrophobicContact CD2-CG2 3.91Å; Y568-I577 HydrophobicContact CE2-CG2 4.32Å; Y568-I577 HydrophobicContact CG-CG2 4.26Å; I571-I577 HydrophobicContact CB-CD1 4.23Å; I571-I577 HydrophobicContact CB-CG1 3.87Å; I571-I577 HydrophobicContact CD1-CG1 4.38Å; I571-I577 HydrophobicContact CG2-CD1 4.37Å; I571-I577 HydrophobicContact CG2-CG1 3.66Å; N573-I577 PolarHBondContact O-N 3.01Å; N573-I577 VanDerWaalsContact O-N 3.15Å; R574-I577 WeakPolarHBondContact O-CB 3.24Å; R574-I577 PolarHBondContact O-N 3.49Å; I577-F579 VanDerWaalsContact C-N 3.34Å; I577-F579 PolarHBondContact O-N 3.48Å; I577-M580 PolarHBondContact O-N 2.67Å; I577-V581 HydrophobicContact CG2-CG2 3.95Å; I577-V581 WeakPolarHBondContact O-CB 3.35Å; I577-V581 VanDerWaalsContact O-CG2 3.32Å; I577-V581 WeakPolarHBondContact O-CG2 3.47Å; I577-V581 PolarHBondContact O-N 3.15Å
578	I	91.2	Very high	88.6	Confident	44 Å²	44	64.8 Å²	64.8	23%	0.226	32%	0.322	C	S	.	.	H	α-helix	trans	-52.8	-52.1	175.3	-71.4	173.9	0	0	0	110.2	V529 I537 R574 D575 G582	V529-I578 HydrophobicContact CB-CG1 4.47Å; V529-I578 HydrophobicContact CG1-CG1 3.64Å; V529-I578 HydrophobicContact CG2-CD1 3.98Å; V529-I578 HydrophobicContact CG2-CG1 3.93Å; I537-I578 HydrophobicContact CG2-CB 4.47Å; I537-I578 HydrophobicContact CG2-CG2 3.81Å; I537-I578 WeakPolarHBondContact CG2-O 3.45Å; R574-I578 HydrophobicContact CG-CD1 4.16Å; R574-I578 WeakPolarHBondContact O-CG1 3.44Å; R574-I578 PolarHBondContact O-N 3.33Å; D575-I578 PolarHBondContact O-N 3.15Å; I578-G582 WeakPolarHBondContact O-CA 3.44Å; I578-G582 PolarHBondContact O-N 2.53Å
579	F	91.4	Very high	88.4	Confident	109 Å²	109	65.4 Å²	65.4	48%	0.478	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-50.9	-179.2	179.9	-97.6	0	0	0	112.2	D575 Q576 I577 R583 Y585	D575-F579 WeakPolarHBondContact O-CB 3.38Å; D575-F579 PolarHBondContact O-N 2.87Å; Q576-F579 PolarHBondContact O-N 2.91Å; I577-F579 VanDerWaalsContact C-N 3.34Å; I577-F579 PolarHBondContact O-N 3.48Å; F579-R583 HydrophobicContact CD2-CG 4.34Å; F579-R583 HydrophobicContact CE2-CG 4.1Å; F579-R583 HydrophobicContact CZ-CG 4.2Å; F579-R583 WeakPolarHBondContact O-CB 3.43Å; F579-R583 WeakPolarHBondContact O-CG 3.38Å; F579-R583 PolarHBondContact O-N 3.27Å; F579-Y585 HydrophobicContact CE1-CD2 4.21Å; F579-Y585 AromaticContact CE1-CE2 4Å; F579-Y585 HydrophobicContact CE1-CE2 4Å; F579-Y585 HydrophobicContact CZ-CE2 4.32Å
580	M	91.5	Very high	88.4	Confident	49 Å²	49	63 Å²	63	24%	0.241	31%	0.305	C	S	.	.	H	α-helix	trans	-67.5	-40.2	-175.9	-68	175.6	75.5	0	0	112.5	I571 Q576 I577 G584 Y585 A586	I571-M580 HydrophobicContact CD1-CE 4.37Å; I571-M580 HydrophobicContact CD1-SD 3.97Å; Q576-M580 HydrophobicContact CG-CG 4.36Å; Q576-M580 HydrophobicContact CG-SD 3.72Å; Q576-M580 WeakPolarHBondContact O-CB 3.48Å; Q576-M580 VanDerWaalsContact O-CG 3.23Å; Q576-M580 WeakPolarHBondContact O-CG 3.39Å; Q576-M580 PolarHBondContact O-N 2.81Å; I577-M580 PolarHBondContact O-N 2.67Å; M580-G584 CarbonylContact O-C 3.46Å; M580-G584 WeakPolarHBondContact O-CA 3.1Å; M580-G584 PolarHBondContact O-N 2.91Å; M580-Y585 PolarHBondContact O-N 2.76Å; M580-A586 HydrophobicContact CB-CB 3.68Å; M580-A586 HydrophobicContact CE-CB 4.34Å; M580-A586 PolarHBondContact O-N 2.67Å
581	V	91.4	Very high	88.3	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.024	30%	0.301	C	S	.	.	H	α-helix	trans	-75.9	-41.3	177.5	-179.3	0	0	0	0	110.9	P534 I537 Y568 I577 R583 G584 A586	P534-V581 WeakPolarHBondContact CB-O 3.5Å; P534-V581 HydrophobicContact CG-CG1 4.09Å; I537-V581 HydrophobicContact CD1-CB 3.9Å; I537-V581 HydrophobicContact CD1-CG1 3.66Å; Y568-V581 HydrophobicContact CE1-CG2 4.03Å; Y568-V581 HydrophobicContact CE2-CG2 4.05Å; I577-V581 HydrophobicContact CG2-CG2 3.95Å; I577-V581 WeakPolarHBondContact O-CB 3.35Å; I577-V581 VanDerWaalsContact O-CG2 3.32Å; I577-V581 WeakPolarHBondContact O-CG2 3.47Å; I577-V581 PolarHBondContact O-N 3.15Å; V581-R583 PolarHBondContact O-N 3.38Å; V581-G584 WeakPolarHBondContact O-CA 2.99Å; V581-G584 PolarHBondContact O-N 3.49Å; V581-A586 HydrophobicContact CG2-CB 4.06Å
582	G	91	Very high	88.3	Confident	5 Å²	5	64.4 Å²	64.4	5%	0.052	31%	0.313	C	S	.	.	H	α-helix	trans	-62.3	-42.6	178.7	0	0	0	0	0	113.3	R538 I578 G584	R538-G582 VanDerWaalsContact CD-O 3.29Å; R538-G582 WeakPolarHBondContact CD-O 3.33Å; R538-G582 WeakPolarHBondContact CG-O 3.35Å; R538-G582 PolarHBondContact NH1-O 3.21Å; I578-G582 WeakPolarHBondContact O-CA 3.44Å; I578-G582 PolarHBondContact O-N 2.53Å; G582-G584 VanDerWaalsContact C-N 3.27Å
583	R	90.8	Very high	88.5	Confident	141 Å²	141	56.6 Å²	56.6	53%	0.532	27%	0.272	S	S	.	.	H	α-helix	trans	-74.2	-18.7	169	-64	-62.1	-176.9	103.6	-5.4	112.8	F579 V581 Y585 K611	F579-R583 HydrophobicContact CD2-CG 4.34Å; F579-R583 HydrophobicContact CE2-CG 4.1Å; F579-R583 HydrophobicContact CZ-CG 4.2Å; F579-R583 WeakPolarHBondContact O-CB 3.43Å; F579-R583 WeakPolarHBondContact O-CG 3.38Å; F579-R583 PolarHBondContact O-N 3.27Å; V581-R583 PolarHBondContact O-N 3.38Å; R583-Y585 HydrophobicContact CB-CD2 3.64Å; R583-Y585 HydrophobicContact CB-CE2 3.5Å; R583-Y585 HydrophobicContact CB-CG 4.23Å; R583-Y585 HydrophobicContact CG-CD2 4.35Å; R583-Y585 HydrophobicContact CG-CE2 3.89Å; R583-K611 WeakPolarHBondContact O-CE 3.46Å; R583-K611 PolarHBondContact O-NZ 2.96Å
584	G	83.9	Confident	88.6	Confident	21 Å²	21	57.3 Å²	57.3	22%	0.216	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	45.9	-175.7	0	0	0	0	0	112.8	M580 V581 G582 K611	M580-G584 CarbonylContact O-C 3.46Å; M580-G584 WeakPolarHBondContact O-CA 3.1Å; M580-G584 PolarHBondContact O-N 2.91Å; V581-G584 WeakPolarHBondContact O-CA 2.99Å; V581-G584 PolarHBondContact O-N 3.49Å; G582-G584 VanDerWaalsContact C-N 3.27Å; G584-K611 PolarHBondContact O-NZ 3.08Å
585	Y	86.4	Confident	88.5	Confident	148 Å²	148	61.5 Å²	61.5	58%	0.58	29%	0.291	S	S	*	.	S	Bend	trans	-84.9	-23.8	158.8	-56.6	-45.5	0	0	0	111.2	F579 M580 R583	F579-Y585 HydrophobicContact CE1-CD2 4.21Å; F579-Y585 AromaticContact CE1-CE2 4Å; F579-Y585 HydrophobicContact CE1-CE2 4Å; F579-Y585 HydrophobicContact CZ-CE2 4.32Å; M580-Y585 PolarHBondContact O-N 2.76Å; R583-Y585 HydrophobicContact CB-CD2 3.64Å; R583-Y585 HydrophobicContact CB-CE2 3.5Å; R583-Y585 HydrophobicContact CB-CG 4.23Å; R583-Y585 HydrophobicContact CG-CD2 4.35Å; R583-Y585 HydrophobicContact CG-CE2 3.89Å
586	A	84.3	Confident	88.3	Confident	14 Å²	14	61.7 Å²	61.7	12%	0.116	29%	0.291	C	S	.	.			trans	-112.2	152.2	172.5	0	0	0	0	0	112.2	Y568 M580 V581	Y568-A586 HydrophobicContact CD1-CB 4.48Å; Y568-A586 HydrophobicContact CE1-CB 4.02Å; M580-A586 HydrophobicContact CB-CB 3.68Å; M580-A586 HydrophobicContact CE-CB 4.34Å; M580-A586 PolarHBondContact O-N 2.67Å; V581-A586 HydrophobicContact CG2-CB 4.06Å
587	S	87.2	Confident	88	Confident	41 Å²	41	57.4 Å²	57.4	29%	0.287	27%	0.272	S	S	.	.			trans	-151.1	173.1	160.6	79.7	0	0	0	0	107.7	R191 Y568	R191-S587 PolarHBondContact NH1-O 3.17Å; R191-S587 PolarHBondContact NH2-OG 3.11Å; Y568-S587 VanDerWaalsContact CE1-C 3.49Å; Y568-S587 WeakPolarHBondContact CE1-O 3.42Å; Y568-S587 WeakPolarHBondContact OH-CA 3.47Å
588	P	87.6	Confident	87.9	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.006	27%	0.272	C	S	.	.			trans	-62.7	146.4	-179	-22.8	34.8	0	0	0	113.1	R191 I556 Y559 P567 Y568 L590 V609	R191-P588 PolarHBondContact NH1-O 2.92Å; I556-P588 HydrophobicContact CD1-CG 3.39Å; Y559-P588 HydrophobicContact CD2-CB 3.53Å; Y559-P588 HydrophobicContact CE2-CB 3.78Å; Y559-P588 HydrophobicContact CG-CB 4.13Å; P567-P588 HydrophobicContact CB-CB 4.25Å; P567-P588 HydrophobicContact CB-CG 4.41Å; Y568-P588 WeakPolarHBondContact OH-CD 3.47Å; P588-L590 PolarHBondContact O-N 3.06Å; P588-V609 HydrophobicContact CG-CB 4.31Å; P588-V609 HydrophobicContact CG-CG1 4.26Å; P588-V609 HydrophobicContact CG-CG2 4.28Å
589	D	86.3	Confident	87.5	Confident	26 Å²	26	59 Å²	59	14%	0.139	28%	0.278	C	S	.	.			trans	-88.5	93.5	-176.9	-178.5	11.3	0	0	0	112.3	Y559 S591 R592	Y559-D589 WeakPolarHBondContact CE2-O 3.37Å; D589-S591 PolarHBondContact O-N 2.9Å; D589-S591 WeakPolarHBondContact OD1-CB 3.35Å; D589-S591 PolarHBondContact OD1-N 2.93Å; D589-S591 PolarHBondContact OD1-OG 3.19Å; D589-S591 PolarHBondContact OD2-OG 3.37Å; D589-S591 VanDerWaalsContact OD2-OG 3.05Å; D589-R592 HydrophobicContact CB-CG 4.29Å; D589-R592 WeakPolarHBondContact O-CB 3.26Å; D589-R592 PolarHBondContact O-N 3.25Å; D589-R592 IonicContact OD2-NE 3.06Å
590	L	86.5	Confident	87.3	Confident	10 Å²	10	55.1 Å²	55.1	5%	0.052	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-64.8	-9.5	-176.4	-51.6	-179.2	0	0	0	114.5	W187 P588 R592 L593 V605 A606	W187-L590 HydrophobicContact CB-CB 4.43Å; W187-L590 HydrophobicContact CB-CD1 4.18Å; W187-L590 HydrophobicContact CD2-CD1 4.23Å; W187-L590 HydrophobicContact CE3-CD1 4.12Å; W187-L590 HydrophobicContact CG-CD1 4.28Å; P588-L590 PolarHBondContact O-N 3.06Å; L590-R592 VanDerWaalsContact C-N 3.25Å; L590-R592 PolarHBondContact O-N 2.81Å; L590-L593 HydrophobicContact CB-CD1 4.27Å; L590-L593 HydrophobicContact CD2-CD1 4.17Å; L590-L593 WeakPolarHBondContact O-CG 3.29Å; L590-V605 HydrophobicContact CD2-CB 4.33Å; L590-V605 HydrophobicContact CD2-CG1 3.75Å; L590-A606 HydrophobicContact CD1-CB 3.51Å
591	S	83.7	Confident	87.3	Confident	53 Å²	53	52.9 Å²	52.9	37%	0.371	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-68	-26.9	171.8	73.4	0	0	0	0	112.5	S188 D589 L593	S188-S591 WeakPolarHBondContact O-CB 3.34Å; D589-S591 PolarHBondContact O-N 2.9Å; D589-S591 WeakPolarHBondContact OD1-CB 3.35Å; D589-S591 PolarHBondContact OD1-N 2.93Å; D589-S591 PolarHBondContact OD1-OG 3.19Å; D589-S591 PolarHBondContact OD2-OG 3.37Å; D589-S591 VanDerWaalsContact OD2-OG 3.05Å; S591-L593 VanDerWaalsContact C-N 3.33Å; S591-L593 PolarHBondContact O-N 3.19Å
592	R	87.3	Confident	87.2	Confident	94 Å²	94	53.4 Å²	53.4	36%	0.355	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-79.5	-9.9	-179.1	-59.6	-168.3	171.7	-149.2	-7.5	114.8	E565 D589 L590	E565-R592 VanDerWaalsContact CD-NH1 3.3Å; E565-R592 WeakPolarHBondContact OE1-CD 3.4Å; E565-R592 IonicContact OE1-CZ 3.52Å; E565-R592 IonicContact OE1-NE 3.67Å; E565-R592 IonicContact OE1-NH1 2.68Å; E565-R592 PolarHBondContact OE1-NH1 2.81Å; E565-R592 IonicContact OE2-CZ 2.71Å; E565-R592 IonicContact OE2-NH1 2.61Å; E565-R592 PolarHBondContact OE2-NH1 2.87Å; D589-R592 HydrophobicContact CB-CG 4.29Å; D589-R592 WeakPolarHBondContact O-CB 3.26Å; D589-R592 PolarHBondContact O-N 3.25Å; D589-R592 IonicContact OD2-NE 3.06Å; L590-R592 VanDerWaalsContact C-N 3.25Å; L590-R592 PolarHBondContact O-N 2.81Å
593	L	89.4	Confident	87.1	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	26%	0.259	C	S	.	.	S	Bend	trans	-62.8	141.2	174.5	-55.8	-177.5	0	0	0	110.4	Y559 M562 A563 L590 S591 K595 K602 V605	Y559-L593 HydrophobicContact CD2-CD2 3.82Å; Y559-L593 HydrophobicContact CE2-CD2 4.17Å; Y559-L593 HydrophobicContact CG-CD2 4.38Å; M562-L593 HydrophobicContact CB-CD2 3.85Å; M562-L593 CarbonylContact O-C 3.54Å; M562-L593 WeakPolarHBondContact O-CA 3.48Å; A563-L593 HydrophobicContact CB-CD2 4.17Å; L590-L593 HydrophobicContact CB-CD1 4.27Å; L590-L593 HydrophobicContact CD2-CD1 4.17Å; L590-L593 WeakPolarHBondContact O-CG 3.29Å; S591-L593 VanDerWaalsContact C-N 3.33Å; S591-L593 PolarHBondContact O-N 3.19Å; L593-K595 PolarHBondContact O-N 3.2Å; L593-K602 HydrophobicContact CD1-CB 4.12Å; L593-K602 HydrophobicContact CD1-CD 4.34Å; L593-K602 HydrophobicContact CD1-CG 3.86Å; L593-V605 HydrophobicContact CD1-CG2 4.38Å
594	Y	89.6	Confident	87.1	Confident	97 Å²	97	48.3 Å²	48.3	38%	0.38	24%	0.237	S	C	.	.			trans	-47.6	140	-177.1	-63.3	-51.3	0	0	0	112.7	M462 L465 M562 A563 G564 N596 C597	M462-Y594 HydrophobicContact CE-CD2 4.21Å; L465-Y594 HydrophobicContact CD1-CE2 4.12Å; M562-Y594 WeakPolarHBondContact O-CD2 3.34Å; M562-Y594 PolarHBondContact O-N 3.38Å; A563-Y594 VanDerWaalsContact O-CE1 3.32Å; A563-Y594 WeakPolarHBondContact O-CE1 3.31Å; G564-Y594 WeakPolarHBondContact CA-OH 3.28Å; Y594-N596 VanDerWaalsContact CB-OD1 3.28Å; Y594-N596 WeakPolarHBondContact CB-OD1 3.39Å; Y594-N596 PolarHBondContact O-N 3.4Å; Y594-N596 VanDerWaalsContact O-N 3.15Å; Y594-C597 WeakPolarHBondContact O-CB 3.19Å; Y594-C597 PolarHBondContact O-N 3.23Å
595	K	85.7	Confident	87.6	Confident	211 Å²	211	47.3 Å²	47.3	92%	0.917	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.2	-178.4	-64.1	-174.8	-179.8	-178	0	113.1	L593	L593-K595 PolarHBondContact O-N 3.2Å
596	N	85.4	Confident	87.9	Confident	113 Å²	113	40.7 Å²	40.7	60%	0.604	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	2.1	175.7	67.3	-9	0	0	0	114.1	M462 Y594 P598	M462-N596 WeakPolarHBondContact CE-OD1 3.05Å; Y594-N596 VanDerWaalsContact CB-OD1 3.28Å; Y594-N596 WeakPolarHBondContact CB-OD1 3.39Å; Y594-N596 PolarHBondContact O-N 3.4Å; Y594-N596 VanDerWaalsContact O-N 3.15Å; N596-P598 WeakPolarHBondContact O-CD 3.49Å
597	C	87.1	Confident	88.2	Confident	6 Å²	6	41.8 Å²	41.8	4%	0.041	21%	0.207	C	C	.	.	S	Bend	trans	-64.5	122.9	175.8	-178.7	0	0	0	0	109.8	M462 Y594 K599 K602	M462-C597 HydrophobicContact CE-CB 4.22Å; Y594-C597 WeakPolarHBondContact O-CB 3.19Å; Y594-C597 PolarHBondContact O-N 3.23Å; C597-K599 PolarHBondContact O-N 2.92Å; C597-K602 HydrophobicContact CB-CG 4.12Å
598	P	88	Confident	88.6	Confident	10 Å²	10	39.8 Å²	39.8	7%	0.065	19%	0.193	C	C	.	.			trans	-57.5	137	-178	-26.4	34.9	0	0	0	112.3	I466 N596 A600 M601 K602 L629 L633	I466-P598 HydrophobicContact CD1-CG 4.2Å; N596-P598 WeakPolarHBondContact O-CD 3.49Å; P598-A600 PolarHBondContact O-N 2.83Å; P598-M601 WeakPolarHBondContact O-CA 3.32Å; P598-M601 WeakPolarHBondContact O-CB 3.4Å; P598-M601 PolarHBondContact O-N 3.05Å; P598-K602 PolarHBondContact O-N 3.01Å; P598-L629 HydrophobicContact CB-CD1 3.71Å; P598-L629 HydrophobicContact CB-CD2 4.24Å; P598-L629 HydrophobicContact CG-CD1 4.11Å; P598-L629 HydrophobicContact CG-CD2 4.34Å; P598-L633 HydrophobicContact CG-CD2 3.92Å
599	K	83.4	Confident	88.9	Confident	81 Å²	81	40.2 Å²	40.2	35%	0.352	20%	0.195	S	C	.	.	H	α-helix	trans	-53.9	-33.5	-177.7	-60.6	-162	-175.9	-150.2	0	113.5	T167 D186 C597 R603	T167-K599 HydrophobicContact CG2-CD 4.43Å; D186-K599 WeakPolarHBondContact OD2-CE 3.43Å; D186-K599 IonicContact OD2-NZ 3.92Å; D186-K599 PolarHBondContact OD2-NZ 3.33Å; C597-K599 PolarHBondContact O-N 2.92Å; K599-R603 PolarHBondContact O-N 3.33Å; K599-R603 VanDerWaalsContact O-N 3.09Å
600	A	86.7	Confident	89.1	Confident	29 Å²	29	41.9 Å²	41.9	24%	0.24	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-34.4	175	0	0	0	0	0	113.3	P598 L604 L629	P598-A600 PolarHBondContact O-N 2.83Å; A600-L604 PolarHBondContact O-N 3.12Å; A600-L604 VanDerWaalsContact O-N 3.08Å; A600-L629 HydrophobicContact CB-CD1 4.43Å
601	M	91.3	Very high	89.2	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-71.7	-46.7	173.2	-178	57.4	85.2	0	0	110.7	I466 A469 L558 M562 P598 R603 L604 V605 I626 L629	I466-M601 HydrophobicContact CG1-CE 4.05Å; A469-M601 HydrophobicContact CB-CE 4.36Å; L558-M601 HydrophobicContact CD1-SD 4.41Å; L558-M601 HydrophobicContact CD2-SD 4.22Å; M562-M601 HydrophobicContact CE-CE 4.43Å; M562-M601 HydrophobicContact CE-CG 4.36Å; M562-M601 HydrophobicContact CG-CG 3.88Å; M562-M601 HydrophobicContact SD-CG 3.69Å; P598-M601 WeakPolarHBondContact O-CA 3.32Å; P598-M601 WeakPolarHBondContact O-CB 3.4Å; P598-M601 PolarHBondContact O-N 3.05Å; M601-R603 PolarHBondContact O-N 3.26Å; M601-L604 WeakPolarHBondContact O-CA 3.38Å; M601-L604 WeakPolarHBondContact O-CB 3.39Å; M601-L604 PolarHBondContact O-N 3.35Å; M601-L604 HydrophobicContact SD-CB 4.45Å; M601-L604 HydrophobicContact SD-CD2 4.17Å; M601-V605 WeakPolarHBondContact O-CG2 3.4Å; M601-V605 PolarHBondContact O-N 2.75Å; M601-I626 HydrophobicContact CE-CG1 4.28Å; M601-I626 HydrophobicContact CE-CG2 4.47Å; M601-L629 HydrophobicContact CB-CD2 3.78Å; M601-L629 HydrophobicContact CE-CD2 4.12Å
602	K	90.1	Very high	89.5	Confident	15 Å²	15	47.4 Å²	47.4	7%	0.065	22%	0.224	C	C	.	.	H	α-helix	trans	-51.9	-42.4	175	-64.8	-161	176.4	-159.6	0	112.1	S188 L593 C597 P598 V605 A606	S188-K602 PolarHBondContact OG-NZ 2.78Å; L593-K602 HydrophobicContact CD1-CB 4.12Å; L593-K602 HydrophobicContact CD1-CD 4.34Å; L593-K602 HydrophobicContact CD1-CG 3.86Å; C597-K602 HydrophobicContact CB-CG 4.12Å; P598-K602 PolarHBondContact O-N 3.01Å; K602-V605 PolarHBondContact O-N 2.88Å; K602-A606 PolarHBondContact O-N 2.83Å; K602-A606 VanDerWaalsContact O-N 3.17Å
603	R	87.6	Confident	89.8	Confident	27 Å²	27	45.3 Å²	45.3	10%	0.102	22%	0.217	C	C	.	.	H	α-helix	trans	-66.2	-42.3	174.6	-175.8	175.1	67.2	103	-9.6	112.9	D153 K599 M601 V605 A606 D607	D153-R603 VanDerWaalsContact CG-NH1 3.3Å; D153-R603 IonicContact OD2-CZ 3.2Å; D153-R603 VanDerWaalsContact OD2-CZ 3.23Å; D153-R603 IonicContact OD2-NH1 3.74Å; D153-R603 PolarHBondContact OD2-NH1 3.43Å; D153-R603 IonicContact OD2-NH2 3.39Å; D153-R603 PolarHBondContact OD2-NH2 2.94Å; K599-R603 PolarHBondContact O-N 3.33Å; K599-R603 VanDerWaalsContact O-N 3.09Å; M601-R603 PolarHBondContact O-N 3.26Å; R603-V605 VanDerWaalsContact C-N 3.32Å; R603-V605 PolarHBondContact O-N 2.96Å; R603-A606 WeakPolarHBondContact O-CB 3.47Å; R603-A606 PolarHBondContact O-N 2.8Å; R603-A606 VanDerWaalsContact O-N 3.13Å; R603-D607 IonicContact NH1-OD2 3.7Å; R603-D607 PolarHBondContact O-N 2.88Å
604	L	92.4	Very high	90	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.063	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-39.4	176.3	-176.5	63.1	0	0	0	112.1	L558 A600 M601 D607 C608 I622 I626	L558-L604 HydrophobicContact CD1-CD2 4.28Å; L558-L604 HydrophobicContact CD1-CG 4.17Å; A600-L604 PolarHBondContact O-N 3.12Å; A600-L604 VanDerWaalsContact O-N 3.08Å; M601-L604 WeakPolarHBondContact O-CA 3.38Å; M601-L604 WeakPolarHBondContact O-CB 3.39Å; M601-L604 PolarHBondContact O-N 3.35Å; M601-L604 HydrophobicContact SD-CB 4.45Å; M601-L604 HydrophobicContact SD-CD2 4.17Å; L604-D607 PolarHBondContact O-N 3.15Å; L604-C608 PolarHBondContact O-N 3.06Å; L604-C608 PolarHBondContact O-SG 2.87Å; L604-I622 HydrophobicContact CD1-CG1 4.25Å; L604-I622 HydrophobicContact CD1-CG2 4.48Å; L604-I622 HydrophobicContact CD2-CG2 4.34Å; L604-I626 HydrophobicContact CD2-CD1 3.89Å; L604-I626 HydrophobicContact CD2-CG1 3.4Å
605	V	94.5	Very high	90	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-57	-52	170.9	-175	0	0	0	0	109.9	L558 L590 L593 M601 K602 R603 D607 C608 V609	L558-V605 HydrophobicContact CB-CG2 3.92Å; L590-V605 HydrophobicContact CD2-CB 4.33Å; L590-V605 HydrophobicContact CD2-CG1 3.75Å; L593-V605 HydrophobicContact CD1-CG2 4.38Å; M601-V605 WeakPolarHBondContact O-CG2 3.4Å; M601-V605 PolarHBondContact O-N 2.75Å; K602-V605 PolarHBondContact O-N 2.88Å; R603-V605 VanDerWaalsContact C-N 3.32Å; R603-V605 PolarHBondContact O-N 2.96Å; V605-D607 PolarHBondContact O-N 2.55Å; V605-C608 PolarHBondContact O-N 3.04Å; V605-V609 WeakPolarHBondContact O-CG2 3.43Å; V605-V609 PolarHBondContact O-N 3.21Å
606	A	90.8	Very high	90.5	Very high	10 Å²	10	42 Å²	42	8%	0.083	21%	0.208	C	C	.	.	H	α-helix	trans	-56.1	-45.9	179.5	0	0	0	0	0	112.7	W187 L590 K602 R603 V609 K610	W187-A606 HydrophobicContact CD2-CB 4.27Å; W187-A606 HydrophobicContact CZ2-CB 4.36Å; L590-A606 HydrophobicContact CD1-CB 3.51Å; K602-A606 PolarHBondContact O-N 2.83Å; K602-A606 VanDerWaalsContact O-N 3.17Å; R603-A606 WeakPolarHBondContact O-CB 3.47Å; R603-A606 PolarHBondContact O-N 2.8Å; R603-A606 VanDerWaalsContact O-N 3.13Å; A606-V609 PolarHBondContact O-N 3.41Å; A606-K610 WeakPolarHBondContact O-CG 3.45Å; A606-K610 PolarHBondContact O-N 2.86Å
607	D	90.8	Very high	91	Very high	36 Å²	36	37.1 Å²	37.1	19%	0.193	18%	0.182	C	C	.	.	H	α-helix	trans	-66.6	-34.9	-179.7	-72.9	-33.8	0	0	0	112.1	R603 L604 V605 K610 P617	R603-D607 IonicContact NH1-OD2 3.7Å; R603-D607 PolarHBondContact O-N 2.88Å; L604-D607 PolarHBondContact O-N 3.15Å; V605-D607 PolarHBondContact O-N 2.55Å; D607-K610 WeakPolarHBondContact O-CG 2.93Å; D607-K610 WeakPolarHBondContact OD1-CE 3.32Å; D607-K610 IonicContact OD1-NZ 2.75Å; D607-P617 HydrophobicContact CB-CG 4.42Å; D607-P617 WeakPolarHBondContact O-CD 3.48Å
608	C	96.3	Very high	91.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-73.5	-36.3	176.2	-64	0	0	0	0	113	V551 Y552 L604 V605 K610 R616	V551-C608 HydrophobicContact CG1-CB 4.06Å; Y552-C608 WeakPolarHBondContact CA-O 3.32Å; L604-C608 PolarHBondContact O-N 3.06Å; L604-C608 PolarHBondContact O-SG 2.87Å; V605-C608 PolarHBondContact O-N 3.04Å; C608-K610 VanDerWaalsContact C-N 3.32Å; C608-K610 PolarHBondContact O-N 3.09Å; C608-R616 VanDerWaalsContact O-CD 3.3Å; C608-R616 WeakPolarHBondContact O-CD 3.4Å
609	V	94.7	Very high	92	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.055	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	16.6	-176.6	-54	0	0	0	0	114.2	Y552 I556 P588 V605 A606	Y552-V609 HydrophobicContact CD2-CB 4.3Å; Y552-V609 HydrophobicContact CE2-CB 4.08Å; I556-V609 HydrophobicContact CD1-CG1 4.06Å; P588-V609 HydrophobicContact CG-CB 4.31Å; P588-V609 HydrophobicContact CG-CG1 4.26Å; P588-V609 HydrophobicContact CG-CG2 4.28Å; V605-V609 WeakPolarHBondContact O-CG2 3.43Å; V605-V609 PolarHBondContact O-N 3.21Å; A606-V609 PolarHBondContact O-N 3.41Å
610	K	90.5	Very high	92.6	Very high	61 Å²	61	38 Å²	38	27%	0.265	19%	0.193	S	C	.	.			trans	-59.6	142.7	178.1	-74.1	-174.4	172.8	-168.6	0	112.9	A606 D607 C608 E615 R616	A606-K610 WeakPolarHBondContact O-CG 3.45Å; A606-K610 PolarHBondContact O-N 2.86Å; D607-K610 WeakPolarHBondContact O-CG 2.93Å; D607-K610 WeakPolarHBondContact OD1-CE 3.32Å; D607-K610 IonicContact OD1-NZ 2.75Å; C608-K610 VanDerWaalsContact C-N 3.32Å; C608-K610 PolarHBondContact O-N 3.09Å; K610-E615 HydrophobicContact CD-CB 3.48Å; K610-E615 VanDerWaalsContact CD-CB 3.48Å; K610-E615 WeakPolarHBondContact CD-OE2 3.24Å; K610-E615 WeakPolarHBondContact CE-OE2 3.41Å; K610-E615 IonicContact NZ-OE2 2.86Å; K610-E615 PolarHBondContact NZ-OE2 3.18Å; K610-R616 HydrophobicContact CB-CG 4.14Å; K610-R616 PolarHBondContact O-NE 2.94Å; K610-R616 PolarHBondContact O-NH2 2.8Å
611	K	88.8	Confident	93	Very high	114 Å²	114	37.9 Å²	37.9	50%	0.496	19%	0.187	S	C	.	.	S	Bend	trans	-62.6	-43.1	178.6	-177.1	177.2	-178.3	167.1	0	112.8	R583 G584 R616	R583-K611 WeakPolarHBondContact O-CE 3.46Å; R583-K611 PolarHBondContact O-NZ 2.96Å; G584-K611 PolarHBondContact O-NZ 3.08Å; K611-R616 PolarHBondContact O-NH2 2.99Å
612	V	89.8	Confident	93.3	Very high	65 Å²	65	37.8 Å²	37.8	39%	0.394	19%	0.187	S	C	.	.	S	Bend	trans	-81.2	124.5	176.5	-179.6	0	0	0	0	108.5	E614 E615	V612-E614 HydrophobicContact CG1-CB 4.3Å; V612-E614 VanDerWaalsContact CG1-OE2 3.24Å; V612-E614 WeakPolarHBondContact CG1-OE2 3.39Å; V612-E615 HydrophobicContact CB-CB 4.42Å; V612-E615 HydrophobicContact CB-CG 4.1Å; V612-E615 HydrophobicContact CG1-CG 4.06Å; V612-E615 PolarHBondContact O-N 3.18Å
613	K	93.7	Very high	93.6	Very high	50 Å²	50	38 Å²	38	22%	0.217	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-70.1	-35.6	-173.1	65.4	-173.1	177.6	-177.2	0	111.8	E535 D541 Q548 E615 R616	E535-K613 HydrophobicContact CG-CD 4.09Å; D541-K613 IonicContact OD2-NZ 3.55Å; D541-K613 PolarHBondContact OD2-NZ 3.1Å; Q548-K613 HydrophobicContact CB-CB 4.02Å; Q548-K613 WeakPolarHBondContact CG-O 3.37Å; K613-E615 PolarHBondContact O-N 2.79Å; K613-R616 WeakPolarHBondContact O-CB 3.28Å; K613-R616 PolarHBondContact O-N 3.22Å
614	E	92.9	Very high	93.9	Very high	130 Å²	130	36.7 Å²	36.7	61%	0.607	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-66.5	-20.9	179.5	-62.2	70.9	-155.9	0	0	113.6	V612	V612-E614 HydrophobicContact CG1-CB 4.3Å; V612-E614 VanDerWaalsContact CG1-OE2 3.24Å; V612-E614 WeakPolarHBondContact CG1-OE2 3.39Å
615	E	90.3	Very high	93.9	Very high	104 Å²	104	37.5 Å²	37.5	49%	0.486	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-85.6	-8.5	177.6	-70.6	-167.1	-144.2	0	0	114	K610 V612 K613	K610-E615 HydrophobicContact CD-CB 3.48Å; K610-E615 VanDerWaalsContact CD-CB 3.48Å; K610-E615 WeakPolarHBondContact CD-OE2 3.24Å; K610-E615 WeakPolarHBondContact CE-OE2 3.41Å; K610-E615 IonicContact NZ-OE2 2.86Å; K610-E615 PolarHBondContact NZ-OE2 3.18Å; V612-E615 HydrophobicContact CB-CB 4.42Å; V612-E615 HydrophobicContact CB-CG 4.1Å; V612-E615 HydrophobicContact CG1-CG 4.06Å; V612-E615 PolarHBondContact O-N 3.18Å; K613-E615 PolarHBondContact O-N 2.79Å
616	R	95	Very high	93.9	Very high	10 Å²	10	37.5 Å²	37.5	4%	0.038	19%	0.19	C	C	.	.	S	Bend	trans	-79.1	136.4	-179.9	-58.2	176.9	-163.8	141.6	11.8	109.9	E535 Q548 V551 C608 K610 K611 K613	E535-R616 IonicContact OE1-CZ 3.74Å; E535-R616 IonicContact OE1-NH1 3.97Å; E535-R616 PolarHBondContact OE1-NH1 3.48Å; E535-R616 IonicContact OE1-NH2 2.88Å; E535-R616 PolarHBondContact OE1-NH2 2.87Å; E535-R616 IonicContact OE2-CZ 2.66Å; E535-R616 IonicContact OE2-NH1 2.92Å; E535-R616 IonicContact OE2-NH2 2.75Å; E535-R616 PolarHBondContact OE2-NH2 3.17Å; Q548-R616 WeakPolarHBondContact O-CD 3.44Å; Q548-R616 PolarHBondContact O-NH1 2.9Å; V551-R616 HydrophobicContact CG1-CB 3.88Å; C608-R616 VanDerWaalsContact O-CD 3.3Å; C608-R616 WeakPolarHBondContact O-CD 3.4Å; K610-R616 HydrophobicContact CB-CG 4.14Å; K610-R616 PolarHBondContact O-NE 2.94Å; K610-R616 PolarHBondContact O-NH2 2.8Å; K611-R616 PolarHBondContact O-NH2 2.99Å; K613-R616 WeakPolarHBondContact O-CB 3.28Å; K613-R616 PolarHBondContact O-N 3.22Å
617	P	95.6	Very high	94.1	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.058	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-66.6	153.3	174	29.3	-34.3	0	0	0	110.9	V551 D607 Q621 I622	V551-P617 WeakPolarHBondContact CG1-O 3.29Å; V551-P617 WeakPolarHBondContact CG2-O 3.34Å; D607-P617 HydrophobicContact CB-CG 4.42Å; D607-P617 WeakPolarHBondContact O-CD 3.48Å; P617-Q621 HydrophobicContact CB-CB 4.1Å; P617-I622 HydrophobicContact CB-CG1 4.06Å; P617-I622 HydrophobicContact CG-CD1 4.21Å; P617-I622 HydrophobicContact CG-CG1 3.75Å
618	L	97.7	Very high	94	Very high	61 Å²	61	40.1 Å²	40.1	32%	0.319	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-86.3	166	170.6	-57.3	174.8	0	0	0	110.2	F547 Q548 P620 Q621 I622	F547-L618 HydrophobicContact CB-CD2 4.2Å; Q548-L618 HydrophobicContact CG-CD2 4.19Å; L618-P620 VanDerWaalsContact C-N 3.31Å; L618-Q621 PolarHBondContact O-N 3.16Å; L618-Q621 PolarHBondContact O-OE1 3.36Å; L618-I622 WeakPolarHBondContact O-CG1 3.27Å; L618-I622 PolarHBondContact O-N 2.86Å; L618-I622 VanDerWaalsContact O-N 3.08Å
619	F	98.1	Very high	93.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-53.7	-33.4	-177.7	-79.1	-78.5	0	0	0	115.8	A473 M476 D477 H480 D550 V551 Y554 Q621 I622 L623	A473-F619 HydrophobicContact CB-CD1 4.17Å; M476-F619 HydrophobicContact CB-CD1 3.54Å; M476-F619 HydrophobicContact CB-CD2 3.93Å; M476-F619 HydrophobicContact CB-CE1 3.35Å; M476-F619 HydrophobicContact CB-CE2 3.75Å; M476-F619 HydrophobicContact CB-CG 3.83Å; M476-F619 HydrophobicContact CB-CZ 3.45Å; M476-F619 VanDerWaalsContact CB-CZ 3.45Å; M476-F619 HydrophobicContact CE-CE2 3.91Å; M476-F619 HydrophobicContact CE-CZ 4.01Å; M476-F619 HydrophobicContact CG-CD1 4.47Å; M476-F619 HydrophobicContact CG-CE1 3.81Å; M476-F619 HydrophobicContact CG-CE2 4.32Å; M476-F619 HydrophobicContact CG-CZ 3.72Å; D477-F619 HydrophobicContact CB-CB 3.87Å; H480-F619 AromaticContact CE1-CD2 3.48Å; H480-F619 VanDerWaalsContact CE1-CD2 3.48Å; H480-F619 WeakPolarHBondContact CE1-CD2 3.48Å; H480-F619 AromaticContact CE1-CE2 3.47Å; H480-F619 VanDerWaalsContact CE1-CE2 3.47Å; H480-F619 WeakPolarHBondContact CE1-CE2 3.37Å; H480-F619 AromaticContact ND1-CD2 3.41Å; H480-F619 WeakPolarHBondContact ND1-CD2 3.35Å; H480-F619 AromaticContact ND1-CE2 3.92Å; D550-F619 HydrophobicContact CB-CE2 4.34Å; V551-F619 HydrophobicContact CG2-CD2 3.89Å; V551-F619 HydrophobicContact CG2-CE2 3.62Å; V551-F619 HydrophobicContact CG2-CZ 4.22Å; Y554-F619 AromaticContact CD1-CE1 3.77Å; Y554-F619 HydrophobicContact CD1-CE1 3.77Å; Y554-F619 HydrophobicContact CD1-CZ 4.23Å; Y554-F619 AromaticContact CD2-CE1 3.98Å; Y554-F619 HydrophobicContact CD2-CE1 3.98Å; Y554-F619 HydrophobicContact CD2-CZ 4.42Å; Y554-F619 HydrophobicContact CE1-CE1 4.24Å; Y554-F619 HydrophobicContact CE2-CE1 4.43Å; Y554-F619 AromaticContact CG-CE1 3.62Å; Y554-F619 HydrophobicContact CG-CE1 3.62Å; Y554-F619 AromaticContact CG-CZ 3.85Å; Y554-F619 HydrophobicContact CG-CZ 3.85Å; F619-Q621 PolarHBondContact O-N 2.86Å; F619-I622 HydrophobicContact CD1-CD1 4.2Å; F619-I622 HydrophobicContact CE1-CD1 4.37Å; F619-I622 HydrophobicContact CG-CD1 4.47Å; F619-I622 PolarHBondContact O-N 3.36Å; F619-L623 VanDerWaalsContact O-CB 3.31Å; F619-L623 WeakPolarHBondContact O-CB 3.47Å; F619-L623 PolarHBondContact O-N 2.97Å
620	P	96.3	Very high	93.2	Very high	55 Å²	55	42.6 Å²	42.6	36%	0.357	21%	0.212	S	C	.	.	H	α-helix	trans	-59.8	-41.5	172.5	-25.6	33.4	0	0	0	113.9	D477 L618 S624	D477-P620 WeakPolarHBondContact OD1-CD 3.14Å; D477-P620 VanDerWaalsContact OD1-CG 3.22Å; D477-P620 WeakPolarHBondContact OD1-CG 3.24Å; L618-P620 VanDerWaalsContact C-N 3.31Å; P620-S624 WeakPolarHBondContact O-CB 3.25Å; P620-S624 PolarHBondContact O-N 2.91Å
621	Q	95.3	Very high	92.7	Very high	26 Å²	26	44.3 Å²	44.3	12%	0.121	22%	0.22	C	C	.	.	H	α-helix	trans	-75.3	-33.9	178	-63	101.6	-14.9	0	0	112.1	F151 Q156 P617 L618 F619 S625	F151-Q621 HydrophobicContact CB-CB 4.45Å; F151-Q621 HydrophobicContact CB-CG 3.84Å; F151-Q621 HydrophobicContact CD1-CG 3.83Å; F151-Q621 HydrophobicContact CD2-CB 4.19Å; F151-Q621 HydrophobicContact CD2-CG 3.83Å; F151-Q621 HydrophobicContact CE1-CG 4.33Å; F151-Q621 HydrophobicContact CE2-CG 4.33Å; F151-Q621 HydrophobicContact CG-CB 4.31Å; F151-Q621 HydrophobicContact CG-CG 3.55Å; Q156-Q621 PolarHBondContact O-NE2 3.47Å; Q156-Q621 VanDerWaalsContact O-NE2 3.1Å; P617-Q621 HydrophobicContact CB-CB 4.1Å; L618-Q621 PolarHBondContact O-N 3.16Å; L618-Q621 PolarHBondContact O-OE1 3.36Å; F619-Q621 PolarHBondContact O-N 2.86Å; Q621-S625 VanDerWaalsContact O-CB 3.32Å; Q621-S625 WeakPolarHBondContact O-CB 3.37Å; Q621-S625 PolarHBondContact O-N 3.34Å; Q621-S625 VanDerWaalsContact O-N 3.09Å; Q621-S625 PolarHBondContact O-OG 2.79Å
622	I	97.5	Very high	92.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-54.6	174.2	-65.9	170.1	0	0	0	109.9	A473 V551 Y554 L604 P617 L618 F619 S624 S625 I626	A473-I622 HydrophobicContact CB-CG2 4.07Å; V551-I622 HydrophobicContact CB-CD1 4.46Å; V551-I622 HydrophobicContact CG1-CD1 3.82Å; V551-I622 HydrophobicContact CG2-CD1 3.93Å; Y554-I622 HydrophobicContact CD1-CD1 4.39Å; Y554-I622 HydrophobicContact CD1-CG2 4.3Å; Y554-I622 HydrophobicContact CE1-CG2 3.52Å; L604-I622 HydrophobicContact CD1-CG1 4.25Å; L604-I622 HydrophobicContact CD1-CG2 4.48Å; L604-I622 HydrophobicContact CD2-CG2 4.34Å; P617-I622 HydrophobicContact CB-CG1 4.06Å; P617-I622 HydrophobicContact CG-CD1 4.21Å; P617-I622 HydrophobicContact CG-CG1 3.75Å; L618-I622 WeakPolarHBondContact O-CG1 3.27Å; L618-I622 PolarHBondContact O-N 2.86Å; L618-I622 VanDerWaalsContact O-N 3.08Å; F619-I622 HydrophobicContact CD1-CD1 4.2Å; F619-I622 HydrophobicContact CE1-CD1 4.37Å; F619-I622 HydrophobicContact CG-CD1 4.47Å; F619-I622 PolarHBondContact O-N 3.36Å; I622-S624 PolarHBondContact O-N 2.97Å; I622-S625 WeakPolarHBondContact O-CB 3.4Å; I622-S625 PolarHBondContact O-N 3.37Å; I622-I626 HydrophobicContact CG2-CD1 3.9Å; I622-I626 WeakPolarHBondContact O-CG1 3.41Å; I622-I626 PolarHBondContact O-N 3.1Å
623	L	96.9	Very high	91.6	Very high	18 Å²	18	37.4 Å²	37.4	9%	0.094	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-51.2	-178.6	-180	60.3	0	0	0	111.3	R470 A473 Q474 F619 S625 I626 E627	R470-L623 HydrophobicContact CG-CD1 3.85Å; A473-L623 HydrophobicContact CB-CB 4.42Å; A473-L623 HydrophobicContact CB-CD1 4.32Å; Q474-L623 HydrophobicContact CB-CD1 4.08Å; Q474-L623 HydrophobicContact CB-CD2 4.33Å; Q474-L623 HydrophobicContact CG-CD2 4.34Å; F619-L623 VanDerWaalsContact O-CB 3.31Å; F619-L623 WeakPolarHBondContact O-CB 3.47Å; F619-L623 PolarHBondContact O-N 2.97Å; L623-S625 PolarHBondContact O-N 2.88Å; L623-I626 PolarHBondContact O-N 2.92Å; L623-I626 VanDerWaalsContact O-N 3.08Å; L623-E627 HydrophobicContact CD1-CG 4.19Å; L623-E627 HydrophobicContact CG-CG 4.45Å; L623-E627 WeakPolarHBondContact O-CG 3.43Å; L623-E627 PolarHBondContact O-N 3.17Å
624	S	93.7	Very high	90.5	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-54.8	-37.4	174.5	165.4	0	0	0	0	112.9	L149 P620 I622 L628	L149-S624 PolarHBondContact O-OG 2.94Å; P620-S624 WeakPolarHBondContact O-CB 3.25Å; P620-S624 PolarHBondContact O-N 2.91Å; I622-S624 PolarHBondContact O-N 2.97Å; S624-L628 VanDerWaalsContact O-CB 3.25Å; S624-L628 WeakPolarHBondContact O-CB 3.44Å; S624-L628 PolarHBondContact O-N 3.03Å
625	S	92.8	Very high	89.2	Confident	29 Å²	29	41.2 Å²	41.2	20%	0.203	21%	0.213	C	C	.	.	H	α-helix	trans	-71.4	-37.3	178.3	-62.9	0	0	0	0	112.7	Q621 I622 L623 L629	Q621-S625 VanDerWaalsContact O-CB 3.32Å; Q621-S625 WeakPolarHBondContact O-CB 3.37Å; Q621-S625 PolarHBondContact O-N 3.34Å; Q621-S625 VanDerWaalsContact O-N 3.09Å; Q621-S625 PolarHBondContact O-OG 2.79Å; I622-S625 WeakPolarHBondContact O-CB 3.4Å; I622-S625 PolarHBondContact O-N 3.37Å; L623-S625 PolarHBondContact O-N 2.88Å; S625-L629 PolarHBondContact O-N 2.76Å; S625-L629 VanDerWaalsContact O-N 3.14Å
626	I	95.1	Very high	87.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-73.1	-41.8	177	-60.2	171.5	0	0	0	111	I466 A469 R470 A473 Y554 M601 L604 I622 L623 L629 Q630	I466-I626 HydrophobicContact CG2-CG2 4.02Å; A469-I626 HydrophobicContact CB-CD1 4.4Å; R470-I626 HydrophobicContact CB-CG2 3.65Å; R470-I626 HydrophobicContact CG-CG2 4.13Å; A473-I626 HydrophobicContact CB-CD1 4.19Å; Y554-I626 WeakPolarHBondContact OH-CD1 3.44Å; M601-I626 HydrophobicContact CE-CG1 4.28Å; M601-I626 HydrophobicContact CE-CG2 4.47Å; L604-I626 HydrophobicContact CD2-CD1 3.89Å; L604-I626 HydrophobicContact CD2-CG1 3.4Å; I622-I626 HydrophobicContact CG2-CD1 3.9Å; I622-I626 WeakPolarHBondContact O-CG1 3.41Å; I622-I626 PolarHBondContact O-N 3.1Å; L623-I626 PolarHBondContact O-N 2.92Å; L623-I626 VanDerWaalsContact O-N 3.08Å; I626-L629 CarbonylContact O-C 3.5Å; I626-L629 WeakPolarHBondContact O-CA 3.3Å; I626-L629 WeakPolarHBondContact O-CB 3.46Å; I626-L629 PolarHBondContact O-N 2.97Å; I626-L629 VanDerWaalsContact O-N 3.15Å; I626-Q630 PolarHBondContact O-N 2.86Å
627	E	93.4	Very high	86.3	Confident	64 Å²	64	45.5 Å²	45.5	30%	0.299	24%	0.239	S	C	.	.	H	α-helix	trans	-62	-45.1	175.8	-71.4	177.7	162.6	0	0	111.9	R470 L623 L629 Q630 H631	R470-E627 HydrophobicContact CG-CG 4.19Å; L623-E627 HydrophobicContact CD1-CG 4.19Å; L623-E627 HydrophobicContact CG-CG 4.45Å; L623-E627 WeakPolarHBondContact O-CG 3.43Å; L623-E627 PolarHBondContact O-N 3.17Å; E627-L629 PolarHBondContact O-N 2.83Å; E627-Q630 PolarHBondContact O-N 2.82Å; E627-H631 PolarHBondContact O-CD2 3.12Å; E627-H631 PolarHBondContact O-N 3.09Å; E627-H631 VanDerWaalsContact O-N 3.08Å
628	L	89.1	Confident	84.7	Confident	37 Å²	37	54.7 Å²	54.7	19%	0.194	27%	0.272	C	S	.	.	H	α-helix	trans	-60.2	-35.8	174.4	-176.9	64	0	0	0	111.7	F146 K171 S624 S632	F146-L628 HydrophobicContact CE1-CD2 4.41Å; K171-L628 HydrophobicContact CD-CD2 3.68Å; S624-L628 VanDerWaalsContact O-CB 3.25Å; S624-L628 WeakPolarHBondContact O-CB 3.44Å; S624-L628 PolarHBondContact O-N 3.03Å; L628-S632 PolarHBondContact O-OG 2.79Å
629	L	87.1	Confident	82.9	Confident	7 Å²	7	57.4 Å²	57.4	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-67.9	-50.2	173.4	176.8	62.3	0	0	0	111.5	I466 P598 A600 M601 S625 I626 E627 H631 S632 L633 I636	I466-L629 HydrophobicContact CD1-CD2 3.95Å; I466-L629 HydrophobicContact CD1-CG 4.42Å; P598-L629 HydrophobicContact CB-CD1 3.71Å; P598-L629 HydrophobicContact CB-CD2 4.24Å; P598-L629 HydrophobicContact CG-CD1 4.11Å; P598-L629 HydrophobicContact CG-CD2 4.34Å; A600-L629 HydrophobicContact CB-CD1 4.43Å; M601-L629 HydrophobicContact CB-CD2 3.78Å; M601-L629 HydrophobicContact CE-CD2 4.12Å; S625-L629 PolarHBondContact O-N 2.76Å; S625-L629 VanDerWaalsContact O-N 3.14Å; I626-L629 CarbonylContact O-C 3.5Å; I626-L629 WeakPolarHBondContact O-CA 3.3Å; I626-L629 WeakPolarHBondContact O-CB 3.46Å; I626-L629 PolarHBondContact O-N 2.97Å; I626-L629 VanDerWaalsContact O-N 3.15Å; E627-L629 PolarHBondContact O-N 2.83Å; L629-H631 VanDerWaalsContact C-N 3.31Å; L629-H631 PolarHBondContact O-N 3.36Å; L629-S632 WeakPolarHBondContact CA-OG 2.97Å; L629-S632 CarbonylContact O-C 3.51Å; L629-S632 WeakPolarHBondContact O-CA 3.24Å; L629-S632 WeakPolarHBondContact O-CB 3.14Å; L629-S632 PolarHBondContact O-N 2.84Å; L629-S632 PolarHBondContact O-OG 3.13Å; L629-L633 HydrophobicContact CD1-CD2 4.22Å; L629-L633 HydrophobicContact CG-CD2 4.35Å; L629-L633 PolarHBondContact O-N 2.86Å; L629-I636 HydrophobicContact CD1-CD1 3.91Å
630	Q	87.2	Confident	81.1	Confident	54 Å²	54	62.6 Å²	62.6	25%	0.252	34%	0.339	S	S	.	.	H	α-helix	trans	-55.5	-45.1	-177.7	-165.9	-178.9	33	0	0	111.5	I466 D467 I626 E627 S632 L633	I466-Q630 HydrophobicContact CG2-CB 4.31Å; D467-Q630 PolarHBondContact OD1-NE2 3.27Å; I626-Q630 PolarHBondContact O-N 2.86Å; E627-Q630 PolarHBondContact O-N 2.82Å; Q630-S632 PolarHBondContact O-N 3.19Å; Q630-L633 PolarHBondContact O-N 2.86Å
631	H	81.3	Confident	79.3	Confident	97 Å²	97	65 Å²	65	45%	0.449	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.5	174.4	-64.8	-46.7	0	0	0	114.8	K148 E627 L629	K148-H631 PolarHBondContact NZ-CD2 2.57Å; K148-H631 PolarHBondContact NZ-CE1 2.93Å; K148-H631 PolarHBondContact NZ-NE2 2.85Å; E627-H631 PolarHBondContact O-CD2 3.12Å; E627-H631 PolarHBondContact O-N 3.09Å; E627-H631 VanDerWaalsContact O-N 3.08Å; L629-H631 VanDerWaalsContact C-N 3.31Å; L629-H631 PolarHBondContact O-N 3.36Å
632	S	78	Confident	77.4	Confident	21 Å²	21	72 Å²	72	15%	0.147	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-12.8	177.3	70.8	0	0	0	0	114.2	L628 L629 Q630 K635 I636	L628-S632 PolarHBondContact O-OG 2.79Å; L629-S632 WeakPolarHBondContact CA-OG 2.97Å; L629-S632 CarbonylContact O-C 3.51Å; L629-S632 WeakPolarHBondContact O-CA 3.24Å; L629-S632 WeakPolarHBondContact O-CB 3.14Å; L629-S632 PolarHBondContact O-N 2.84Å; L629-S632 PolarHBondContact O-OG 3.13Å; Q630-S632 PolarHBondContact O-N 3.19Å; S632-K635 CarbonylContact O-C 3.53Å; S632-K635 WeakPolarHBondContact O-CA 3.43Å; S632-K635 WeakPolarHBondContact O-CB 3.29Å; S632-K635 PolarHBondContact O-N 3Å; S632-I636 WeakPolarHBondContact O-CG1 3.32Å; S632-I636 PolarHBondContact O-N 3.13Å; S632-I636 WeakPolarHBondContact OG-CD1 3.49Å
633	L	75.9	Confident	75.6	Confident	12 Å²	12	75.5 Å²	75.5	6%	0.063	41%	0.413	C	S	.	.	H	α-helix	trans	-53.7	-44.2	179.8	-68.6	174.5	0	0	0	114.1	F463 I466 P598 L629 Q630 K635 I636 N637	F463-L633 HydrophobicContact CB-CD1 4.41Å; I466-L633 HydrophobicContact CB-CD1 4.37Å; I466-L633 HydrophobicContact CD1-CD1 3.72Å; I466-L633 HydrophobicContact CD1-CD2 3.67Å; I466-L633 HydrophobicContact CD1-CG 4.24Å; I466-L633 HydrophobicContact CG2-CD1 4.19Å; P598-L633 HydrophobicContact CG-CD2 3.92Å; L629-L633 HydrophobicContact CD1-CD2 4.22Å; L629-L633 HydrophobicContact CG-CD2 4.35Å; L629-L633 PolarHBondContact O-N 2.86Å; Q630-L633 PolarHBondContact O-N 2.86Å; L633-K635 PolarHBondContact O-N 2.74Å; L633-K635 VanDerWaalsContact O-N 3.1Å; L633-I636 PolarHBondContact O-N 2.89Å; L633-I636 VanDerWaalsContact O-N 3.15Å; L633-N637 PolarHBondContact O-N 3.39Å
634	P	71.5	Confident	73.7	Confident	95 Å²	95	77 Å²	77	62%	0.617	43%	0.425	S	S	*	.	H	α-helix	trans	-63	-19.2	176.2	-22.4	34.8	0	0	0	114
635	K	64.8	Low	71.5	Confident	166 Å²	166	83.8 Å²	83.8	72%	0.722	46%	0.46	S	S	*	.	H	α-helix	trans	-91.9	-32.4	177.4	-52	-173.4	-179	-171.1	0	111.9	S632 L633	S632-K635 CarbonylContact O-C 3.53Å; S632-K635 WeakPolarHBondContact O-CA 3.43Å; S632-K635 WeakPolarHBondContact O-CB 3.29Å; S632-K635 PolarHBondContact O-N 3Å; L633-K635 PolarHBondContact O-N 2.74Å; L633-K635 VanDerWaalsContact O-N 3.1Å
636	I	60.8	Low	69.5	Low	75 Å²	75	87.5 Å²	87.5	39%	0.385	47%	0.474	S	S	.	.	H	α-helix	trans	-81.5	-29.3	-178.3	-66.4	170.2	0	0	0	112.3	L629 S632 L633 R638	L629-I636 HydrophobicContact CD1-CD1 3.91Å; S632-I636 WeakPolarHBondContact O-CG1 3.32Å; S632-I636 PolarHBondContact O-N 3.13Å; S632-I636 WeakPolarHBondContact OG-CD1 3.49Å; L633-I636 PolarHBondContact O-N 2.89Å; L633-I636 VanDerWaalsContact O-N 3.15Å; I636-R638 PolarHBondContact O-N 3.44Å; I636-R638 VanDerWaalsContact O-N 3.12Å; I636-R638 VanDerWaalsContact O-O 3.12Å
637	N	63.2	Low	67.2	Low	128 Å²	128	96.9 Å²	96.9	68%	0.684	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	0.1	179.6	-73.7	-4.2	0	0	0	114.4	L633	L633-N637 PolarHBondContact O-N 3.39Å
638	R	62.3	Low	65.2	Low	202 Å²	202	96 Å²	96	76%	0.762	51%	0.514	S	S	*	.	S	Bend	trans	-83.2	142.3	168.5	-62.9	-179.6	-179.8	-177.3	-3.2	108.3	I636 A640	I636-R638 PolarHBondContact O-N 3.44Å; I636-R638 VanDerWaalsContact O-N 3.12Å; I636-R638 VanDerWaalsContact O-O 3.12Å; R638-A640 PolarHBondContact O-N 3.31Å
639	S	60.9	Low	63.3	Low	119 Å²	119	98.1 Å²	98.1	83%	0.832	54%	0.536	S	S	*	.			trans	-48.1	141.5	175.7	-54.4	0	0	0	0	111.2	S641	S639-S641 PolarHBondContact O-N 3.05Å
640	A	60.2	Low	60.9	Low	109 Å²	109	103.4 Å²	103.4	90%	0.901	56%	0.56	S	S	*	*			trans	-57.6	113.6	-175.7	0	0	0	0	0	110.8	R638	R638-A640 PolarHBondContact O-N 3.31Å
641	S	59.2	Low	58.8	Low	105 Å²	105	104.9 Å²	104.9	73%	0.734	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-80.4	162	171.5	61.4	0	0	0	0	110.7	S639	S639-S641 PolarHBondContact O-N 3.05Å
642	E	53.6	Low	56.8	Low	173 Å²	173	108.9 Å²	108.9	81%	0.808	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-55.5	131.8	174.8	-164.7	176.7	177	0	0	111.5
643	P	60	Low	54.9	Low	73 Å²	73	113.6 Å²	113.6	47%	0.474	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-73.6	134.3	-178.8	28.4	-33.6	0	0	0	111.3	N140 L645	N140-P643 WeakPolarHBondContact ND2-CB 3.35Å; P643-L645 PolarHBondContact O-N 2.67Å
644	S	56.7	Low	53.1	Low	51 Å²	51	119.2 Å²	119.2	36%	0.357	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-63.5	124.1	176.9	67.5	0	0	0	0	110.8	N140 Q166	N140-S644 VanDerWaalsContact CG-O 3.26Å; N140-S644 PolarHBondContact ND2-N 3.47Å; N140-S644 PolarHBondContact ND2-O 3.11Å; N140-S644 PolarHBondContact OD1-O 2.88Å; N140-S644 VanDerWaalsContact OD1-O 3.09Å; Q166-S644 PolarHBondContact NE2-OG 2.85Å; Q166-S644 PolarHBondContact OE1-OG 2.84Å
645	L	48.3	Very low	51.2	Low	142 Å²	142	122 Å²	122	74%	0.743	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-62.2	152.6	-175.6	-73.2	168.8	0	0	0	113.7	P643 R647	P643-L645 PolarHBondContact O-N 2.67Å; L645-R647 PolarHBondContact O-N 2.92Å; L645-R647 VanDerWaalsContact O-N 3.16Å
646	H	50.4	Low	49.8	Very low	108 Å²	108	117.7 Å²	117.7	50%	0.5	65%	0.65	S	S	.	*			trans	-34.5	103	-171.6	-66.3	73	0	0	0	116.2
647	R	47.6	Very low	48.4	Very low	197 Å²	197	119.9 Å²	119.9	74%	0.743	67%	0.67	S	S	*	*			trans	-93	3.8	165.1	-78.3	-167	-178.7	128.2	0.4	114.5	L645 A649	L645-R647 PolarHBondContact O-N 2.92Å; L645-R647 VanDerWaalsContact O-N 3.16Å; R647-A649 VanDerWaalsContact C-N 3.32Å; R647-A649 PolarHBondContact O-N 2.68Å
648	A	51.6	Low	47	Very low	46 Å²	46	119.8 Å²	119.8	38%	0.38	68%	0.675	S	S	.	*	S	Bend	trans	-75.8	-12.2	-169.7	0	0	0	0	0	115.2	F141	F141-A648 HydrophobicContact CB-CB 4.25Å
649	A	47.9	Very low	45.5	Very low	81 Å²	81	117.4 Å²	117.4	67%	0.669	68%	0.676	S	S	*	*	S	Bend	trans	-126.1	-4	-167.8	0	0	0	0	0	116.5	R647	R647-A649 VanDerWaalsContact C-N 3.32Å; R647-A649 PolarHBondContact O-N 2.68Å
650	H	38.4	Very low	44	Very low	117 Å²	117	118.2 Å²	118.2	54%	0.542	68%	0.676	S	S	.	*			trans	-119.1	31.1	-169.1	-72.6	-67.3	0	0	0	115.1	D653	H650-D653 IonicContact ND1-OD2 2.72Å
651	T	41.4	Very low	42.8	Very low	85 Å²	85	119.4 Å²	119.4	52%	0.521	67%	0.672	S	S	.	*	S	Bend	trans	-86.5	2.4	176.4	41.7	0	0	0	0	115
652	E	40.3	Very low	41.6	Very low	181 Å²	181	119.2 Å²	119.2	85%	0.846	67%	0.671	S	S	*	*	S	Bend	trans	-101.9	-22.3	176.5	-60.2	-162.3	148.3	0	0	113.5
653	D	36.8	Very low	41.1	Very low	121 Å²	121	116.7 Å²	116.7	65%	0.647	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-88.6	-6.3	-178.2	-57.9	-51.3	0	0	0	114.9	H650	H650-D653 IonicContact ND1-OD2 2.72Å
654	I	38.2	Very low	40.2	Very low	130 Å²	130	124.3 Å²	124.3	67%	0.667	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-92.1	0.5	-175	-65.9	176.4	0	0	0	112.6
655	N	33.3	Very low	39.4	Very low	152 Å²	152	129.4 Å²	129.4	81%	0.813	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-99.1	6.3	-178.5	-78.7	-6.8	0	0	0	115.3
656	A	35.3	Very low	39.5	Very low	77 Å²	77	128.2 Å²	128.2	64%	0.636	71%	0.712	S	S	*	*	S	Bend	trans	-105.9	-17.1	-174.8	0	0	0	0	0	115.9
657	C	31.8	Very low	39	Very low	121 Å²	121	129.4 Å²	129.4	82%	0.818	73%	0.727	S	S	*	*	S	Bend	trans	-130.2	45.1	-173.4	-68	0	0	0	0	114.4
658	T	33.5	Very low	38.8	Very low	126 Å²	126	133.1 Å²	133.1	77%	0.773	75%	0.749	S	S	*	*			trans	-148.4	57.8	157.3	-32.5	0	0	0	0	111.2
659	L	30.4	Very low	38.1	Very low	152 Å²	152	137.5 Å²	137.5	80%	0.796	77%	0.767	S	S	*	*			trans	-68.4	151.9	162	-79	159	0	0	0	109.7
660	T	30	Very low	37.6	Very low	135 Å²	135	140.4 Å²	140.4	83%	0.828	77%	0.772	S	S	*	*			trans	65.2	74.8	173.6	71.4	0	0	0	0	118.5
661	T	33.3	Very low	37.6	Very low	134 Å²	134	141.7 Å²	141.7	82%	0.822	79%	0.785	S	S	*	*			trans	-148.6	108.4	134.4	-32	0	0	0	0	111
662	S	35	Very low	37.3	Very low	101 Å²	101	145.1 Å²	145.1	71%	0.706	80%	0.801	S	S	*	*			trans	-84.7	125.7	178.5	175.3	0	0	0	0	110.9	R664	S662-R664 PolarHBondContact O-N 2.87Å
663	P	43.6	Very low	37.2	Very low	121 Å²	121	142.8 Å²	142.8	79%	0.786	80%	0.798	S	S	*	*			trans	-75.5	103.8	166	30.7	-30.1	0	0	0	109	L665	P663-L665 PolarHBondContact O-N 3.33Å
664	R	41	Very low	37.2	Very low	232 Å²	232	144.3 Å²	144.3	88%	0.875	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-64	126.7	166.6	-75	-179.2	173.6	166.9	-2.7	108.8	S662	S662-R664 PolarHBondContact O-N 2.87Å
665	L	40.1	Very low	37.1	Very low	159 Å²	159	145.3 Å²	145.3	83%	0.832	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-65.3	129	161.9	-77.1	158.3	0	0	0	108.8	P663	P663-L665 PolarHBondContact O-N 3.33Å
666	P	49.3	Very low	37.4	Very low	116 Å²	116	144.8 Å²	144.8	75%	0.753	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-77.9	125.8	161.1	30.4	-27.6	0	0	0	108.8
667	V	40.3	Very low	37.6	Very low	133 Å²	133	150.4 Å²	150.4	81%	0.806	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-87.9	121.9	166.1	174.4	0	0	0	0	107.8
668	F	42.6	Very low	38.1	Very low	275 Å²	275	153.1 Å²	153.1	100%	1.206	84%	0.835	S	S	*	*			trans	-150.5	0	155.8	-86.8	-68.2	0	0	0	107.8

Retrieved 668 of 668 residues in 1620.3 ms (Link to these results)

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