A0A096NIM6_PAPAN Loading...

Alanine--tRNA ligase

Catalyzes the attachment of alanine to tRNA(Ala) in a two-step reaction: alanine is first activated by ATP to form Ala-AMP and then transferred to the acceptor end of tRNA(Ala). Also edits incorrectly charged tRNA(Ala) via its editing domain. In presence of high levels of lactate, also acts as a protein lactyltransferase that mediates lactylation of lysine residues in target proteins, such as CGAS. Acts as an inhibitor of cGAS/STING signaling by catalyzing lactylation of CGAS, preventing the formation of liquid-like droplets in which CGAS is activated.

AlphaFold DB (A0A2I3MWU4), UniProt , Accession A0A096NIM6, Species PAPAN (Papio anubis, Olive baboon), Gene AARS2, Length 985 aa.

						>A0A096NIM6_PAPAN|A0A096NIM6|AARS2
MAASLAAAARRLRRAIRRSPAWRGPSHRPLSSEPPAAKASAVRAAFLNFFRDRHGHRLVPSASVRPRGDPSLLFVNAGMNQFKPIFLGTVDPRSEMAGFRRVANSQKCVRAGGRHNDLEDVGRDLSHHTFFEMLGNWAFGGEYFKEEACSMAWELLTQVYGIPTERLWVSYFDGDPKAGLEPDLETRDIWLSLGVPATRVLSFGPQENFWEMGNTGPCGPCTEIHYDLAGGVGAPQLVELWNLVFMQHNREADGSLQPLPQWHVDTGMGLERLVAVLQGKHSTYDTDLFSPLLHAIQQGCRAPPYLGRVGVADEGRTDTAYRVVADHIRTLSVCISDGVFPGMSGPPLVLRRILRRAVRFSMEILKAPPGFLGSLVPVVVETLGDAYPELQRNSAQISNLVLEDEAAFLASLERGRRIIDRTLRTLGPSDMFPAEVAWSLSLSGDLGLPLDMVELMLEEKGVQLDSTGLERLAQEAAQHQARQAKPVQKQGLWLDVHALGELQRQGVPPTDSSPKYNYSLRPNGSYEFGTCEAQVLQLYTEDGTAVASVGKGQRCGLLLDRTNFYAEQGGQASDRGYLVRVGQEDVLFPVARAQVCGGFILHEAVAPECLQIGDQVQLHVDKAWRLACMAKHTATHLLNWALRQTLGPGTEQQGSHLNPEQLRLDVTTQTALTPEQLRAVENTVQEAVQQDKPVYMEEVPLALTAQVPGLRCLDEVYPDPVRVVSVGVPVAHALDPASQAALQTSVELCCGTHLLRTGAVGDLVIIGDRQLSKGTTRLLAITGEQAQQARELGQNLAQEVKAATERLSQGSRDVAEALRLSKDIGRLIEAVDTSVMPQWQRRELLATLKMLQRRANTAIRKLQMGQAAKKTQELLERHSKGPLIVDTVSAESLSVLVKVVRQLCEQAPSTSVLLLSPQSMGKVLCACQVAQGAMPTFTAESWALAVCSHMGGKAWGSRVVAQGTGSTTDLEAALSTARAYALSQL
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.1	Very low	37.6	Very low	239 Å²	239	123.1 Å²	123.1	100%	1.177	72%	0.722	S	S	*	*				0	57.4	0	-75.1	-168.4	-89.1	0	0	112.1
2	A	36.9	Very low	37.1	Very low	93 Å²	93	124.9 Å²	124.9	77%	0.769	73%	0.725	S	S	*	*			trans	-132.5	-1.9	168.2	0	0	0	0	0	112.2
3	A	34.8	Very low	36.7	Very low	93 Å²	93	132.5 Å²	132.5	77%	0.769	73%	0.734	S	S	*	*	S	Bend	trans	-99.9	-7.3	179.5	0	0	0	0	0	114
4	S	39.8	Very low	36.3	Very low	101 Å²	101	139.3 Å²	139.3	71%	0.706	74%	0.743	S	S	*	*	S	Bend	trans	-91	-13.7	-178.7	-177.4	0	0	0	0	114.1
5	L	36.5	Very low	36	Very low	143 Å²	143	135.8 Å²	135.8	75%	0.749	74%	0.741	S	S	*	*	S	Bend	trans	-94.1	-17	-178.2	-81.3	156.3	0	0	0	113.3
6	A	36.8	Very low	35.7	Very low	63 Å²	63	137.1 Å²	137.1	52%	0.521	75%	0.745	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.9	-17.2	178.3	0	0	0	0	0	114
7	A	36.4	Very low	35.4	Very low	68 Å²	68	142.6 Å²	142.6	56%	0.562	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-28.9	-177.6	0	0	0	0	0	113.7
8	A	38.4	Very low	35.1	Very low	69 Å²	69	147.9 Å²	147.9	57%	0.57	76%	0.761	S	S	*	*	H	α-helix	trans	-74.6	-34.3	177	0	0	0	0	0	112.4	R10	A8-R10 VanDerWaalsContact C-N 3.25Å; A8-R10 PolarHBondContact O-N 2.65Å
9	A	36.8	Very low	34.6	Very low	64 Å²	64	146.5 Å²	146.5	53%	0.529	77%	0.765	S	S	.	*	H	α-helix	trans	-69.7	-18	179.2	0	0	0	0	0	114.1
10	R	35.3	Very low	34.3	Very low	198 Å²	198	145.6 Å²	145.6	75%	0.747	77%	0.768	S	S	*	*	H	α-helix	trans	-93.2	-16.9	-176.7	-145.2	175.6	-83.7	176.4	-6.1	113.4	A8	A8-R10 VanDerWaalsContact C-N 3.25Å; A8-R10 PolarHBondContact O-N 2.65Å
11	R	35.1	Very low	34.3	Very low	223 Å²	223	143.4 Å²	143.4	84%	0.842	77%	0.771	S	S	*	*	H	α-helix	trans	-88	-25.3	177	-81.4	-172.9	175.8	-146.9	0.4	114.4
12	L	31.7	Very low	33.3	Very low	145 Å²	145	144.1 Å²	144.1	76%	0.759	76%	0.761	S	S	*	*	H	α-helix	trans	-74.9	-27.4	172.6	-107.2	90.1	0	0	0	113.4	R14	L12-R14 PolarHBondContact O-N 3.03Å
13	R	31.6	Very low	33	Very low	224 Å²	224	151.4 Å²	151.4	85%	0.845	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-3.4	-177.9	-77.5	-174.2	175.1	-169.9	-0.3	115.1
14	R	31.1	Very low	32.8	Very low	227 Å²	227	150.3 Å²	150.3	86%	0.857	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	-3.1	-177.3	-112.4	-179.3	177.7	-167.6	-0.9	115.4	L12	L12-R14 PolarHBondContact O-N 3.03Å
15	A	32	Very low	32.3	Very low	87 Å²	87	151.1 Å²	151.1	72%	0.719	77%	0.769	S	S	*	*	S	Bend	trans	-94.3	-4.4	-178.1	0	0	0	0	0	115.2
16	I	31.1	Very low	31.9	Very low	157 Å²	157	149.4 Å²	149.4	81%	0.805	77%	0.769	S	S	*	*	S	Bend	trans	-110.6	16.8	-173.1	-50.5	175.4	0	0	0	112.4
17	R	29.8	Very low	32	Very low	231 Å²	231	155.9 Å²	155.9	87%	0.872	79%	0.788	S	S	*	*			trans	-117.6	70.2	178	-88	-170.8	170.4	-167.6	-1.4	112.3
18	R	30.3	Very low	31.6	Very low	238 Å²	238	163.3 Å²	163.3	90%	0.898	80%	0.802	S	S	*	*			trans	-154	128.5	152.2	-75.1	-160.1	166.8	172.1	-6.4	110.7
19	S	26.2	Very low	31.2	Very low	121 Å²	121	166.2 Å²	166.2	85%	0.846	82%	0.815	S	S	*	*	S	Bend	trans	123.7	144.8	162.1	-58.4	0	0	0	0	114
20	P	28.9	Very low	31	Very low	127 Å²	127	171.1 Å²	171.1	83%	0.825	83%	0.831	S	S	*	*				-110.6	167.7	-114.3	19.7	0.6	0	0	0	115.3
21	A	33.3	Very low	30.8	Very low	100 Å²	100	167 Å²	167	83%	0.826	83%	0.832	S	S	*	*			trans	-65.5	134.5	-176.4	0	0	0	0	0	114.3
22	W	25.4	Very low	30.8	Very low	254 Å²	254	162.1 Å²	162.1	96%	0.962	83%	0.833	S	S	*	*			trans	-122.7	134	159.3	-102.1	55.2	0	0	0	109.4
23	R	30.9	Very low	30.8	Very low	246 Å²	246	163.4 Å²	163.4	93%	0.928	84%	0.835	S	S	*	*			trans	-69.7	142	-177.3	-69.9	178.8	176.5	-134.7	0.9	110.8
24	G	31.8	Very low	31.2	Very low	70 Å²	70	158.1 Å²	158.1	72%	0.722	83%	0.83	S	S	*	*			trans	-76.4	178.7	-174.7	0	0	0	0	0	115.7
25	P	29.1	Very low	32	Very low	119 Å²	119	153.3 Å²	153.3	77%	0.773	83%	0.828	S	S	*	*				-138	149.5	128	35.6	-21.8	0	0	0	114.6
26	S	27.6	Very low	33.8	Very low	106 Å²	106	151.9 Å²	151.9	74%	0.741	82%	0.816	S	S	*	*			trans	53.8	117.8	151.3	64.3	0	0	0	0	120.3	R28	S26-R28 PolarHBondContact O-N 3.34Å
27	H	38.8	Very low	36.1	Very low	199 Å²	199	146.6 Å²	146.6	92%	0.921	80%	0.796	S	S	*	*			trans	-50.4	118.9	161	-74.7	-86	0	0	0	112.1
28	R	28.2	Very low	39.1	Very low	224 Å²	224	142.5 Å²	142.5	85%	0.845	78%	0.784	S	S	*	*			trans	-120.2	142.5	150.5	-86.4	-174.6	174.7	-176.6	-1.4	107.6	S26 L30	S26-R28 PolarHBondContact O-N 3.34Å; R28-L30 PolarHBondContact O-N 3.03Å
29	P	30.9	Very low	42.1	Very low	131 Å²	131	131.3 Å²	131.3	85%	0.851	74%	0.743	S	S	*	*			trans	-68.2	118.2	176.1	28.7	-29.8	0	0	0	108.4	S31	P29-S31 PolarHBondContact O-N 3.5Å
30	L	32.2	Very low	45.3	Very low	166 Å²	166	128.9 Å²	128.9	87%	0.869	73%	0.726	S	S	*	*			trans	-75.1	111.2	169.2	-81.2	151.1	0	0	0	107.6	R28 S32	R28-L30 PolarHBondContact O-N 3.03Å; L30-S32 PolarHBondContact O-N 2.87Å
31	S	31.8	Very low	48.4	Very low	111 Å²	111	125.3 Å²	125.3	78%	0.776	71%	0.707	S	S	*	*			trans	-55.3	125.3	160.6	49.8	0	0	0	0	108.6	P29 E33	P29-S31 PolarHBondContact O-N 3.5Å; S31-E33 PolarHBondContact O-N 3.42Å
32	S	33.2	Very low	51.4	Low	121 Å²	121	120.6 Å²	120.6	85%	0.846	67%	0.668	S	S	*	*			trans	-99.3	41.5	-172.1	47.8	0	0	0	0	112.7	L30	L30-S32 PolarHBondContact O-N 2.87Å
33	E	33.3	Very low	54.8	Low	172 Å²	172	109.7 Å²	109.7	80%	0.804	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-100.3	133	170.1	-73.2	-177.4	169.8	0	0	109.9	S31	S31-E33 PolarHBondContact O-N 3.42Å
34	P	38.6	Very low	57.9	Low	113 Å²	113	100 Å²	100	73%	0.734	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-58.2	144.9	170.2	24.7	-30.8	0	0	0	109.5	A36	P34-A36 PolarHBondContact O-N 2.7Å
35	P	49	Very low	61	Low	127 Å²	127	98.1 Å²	98.1	83%	0.825	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-57.7	136.3	177.7	23.3	-31.7	0	0	0	110
36	A	68.8	Low	64.3	Low	57 Å²	57	92.4 Å²	92.4	47%	0.471	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-56.3	142	-178.8	0	0	0	0	0	111.6	P34 K38 Q278	P34-A36 PolarHBondContact O-N 2.7Å; A36-K38 PolarHBondContact O-N 2.81Å; A36-Q278 HydrophobicContact CB-CB 4.24Å; A36-Q278 HydrophobicContact CB-CG 3.93Å
37	A	81.1	Confident	67.6	Low	46 Å²	46	89.1 Å²	89.1	38%	0.38	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-65.3	129.1	-177	0	0	0	0	0	111	V42 Q278	A37-V42 HydrophobicContact CB-CG2 3.96Å; A37-Q278 PolarHBondContact O-NE2 3.4Å; A37-Q278 VanDerWaalsContact O-NE2 3.08Å
38	K	91.7	Very high	70.4	Confident	144 Å²	144	82.7 Å²	82.7	63%	0.626	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-64.9	149.6	172.8	-69.4	-168.2	174.7	-169.1	0	111.1	A36 S40 A41 V42 D287	A36-K38 PolarHBondContact O-N 2.81Å; K38-S40 PolarHBondContact O-N 2.71Å; K38-A41 WeakPolarHBondContact O-CA 3.22Å; K38-A41 WeakPolarHBondContact O-CB 3.41Å; K38-A41 PolarHBondContact O-N 3.19Å; K38-V42 PolarHBondContact O-N 2.77Å; K38-D287 WeakPolarHBondContact CA-OD2 3.38Å; K38-D287 WeakPolarHBondContact CB-OD2 3.32Å
39	A	93.2	Very high	73.8	Confident	4 Å²	4	72.3 Å²	72.3	3%	0.033	45%	0.447	C	S	.	.	H	α-helix	trans	-55.8	-36.9	-179.6	0	0	0	0	0	113.5	A41 V42 R43 V274 D287 L288	A39-A41 VanDerWaalsContact C-N 3.33Å; A39-A41 PolarHBondContact O-N 3.33Å; A39-V42 PolarHBondContact O-N 3.45Å; A39-R43 PolarHBondContact O-N 2.84Å; A39-V274 HydrophobicContact CB-CG1 4.13Å; A39-V274 HydrophobicContact CB-CG2 3.83Å; A39-D287 WeakPolarHBondContact CB-OD1 3.45Å; A39-D287 PolarHBondContact N-OD1 2.89Å; A39-D287 PolarHBondContact N-OD2 2.86Å; A39-L288 HydrophobicContact CB-CD1 4.13Å; A39-L288 HydrophobicContact CB-CD2 3.46Å; A39-L288 VanDerWaalsContact CB-CD2 3.46Å; A39-L288 HydrophobicContact CB-CG 3.59Å
40	S	93.3	Very high	77	Confident	69 Å²	69	66.1 Å²	66.1	48%	0.483	41%	0.407	S	S	.	.	H	α-helix	trans	-62.9	-37.7	175.3	57.2	0	0	0	0	113	K38 A44	K38-S40 PolarHBondContact O-N 2.71Å; S40-A44 WeakPolarHBondContact O-CB 3.28Å; S40-A44 PolarHBondContact O-N 3.26Å
41	A	94.6	Very high	80.1	Confident	52 Å²	52	63 Å²	63	43%	0.43	38%	0.384	S	S	.	.	H	α-helix	trans	-71.5	-37.8	175.1	0	0	0	0	0	111.5	K38 A39 A44 A45	K38-A41 WeakPolarHBondContact O-CA 3.22Å; K38-A41 WeakPolarHBondContact O-CB 3.41Å; K38-A41 PolarHBondContact O-N 3.19Å; A39-A41 VanDerWaalsContact C-N 3.33Å; A39-A41 PolarHBondContact O-N 3.33Å; A41-A44 PolarHBondContact O-N 3.03Å; A41-A45 WeakPolarHBondContact O-CB 3.46Å; A41-A45 PolarHBondContact O-N 2.97Å
42	V	96.4	Very high	83.2	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.012	37%	0.374	C	S	.	.	H	α-helix	trans	-61	-49	174.4	175.8	0	0	0	0	110.6	A37 K38 A39 A44 A45 F46 Y160 L270 L273 V274 L277	A37-V42 HydrophobicContact CB-CG2 3.96Å; K38-V42 PolarHBondContact O-N 2.77Å; A39-V42 PolarHBondContact O-N 3.45Å; V42-A44 PolarHBondContact O-N 3.4Å; V42-A45 PolarHBondContact O-N 2.75Å; V42-F46 PolarHBondContact O-N 2.91Å; V42-Y160 HydrophobicContact CG1-CE1 3.96Å; V42-Y160 PolarHBondContact O-OH 2.83Å; V42-L270 HydrophobicContact CB-CD1 4.44Å; V42-L270 HydrophobicContact CG1-CD1 3.99Å; V42-L273 HydrophobicContact CG1-CD2 3.55Å; V42-L273 HydrophobicContact CG1-CG 4.01Å; V42-V274 HydrophobicContact CB-CG2 4.09Å; V42-V274 HydrophobicContact CG1-CG2 4.03Å; V42-V274 HydrophobicContact CG2-CG2 4.22Å; V42-L277 HydrophobicContact CB-CD1 4.42Å; V42-L277 HydrophobicContact CG1-CD1 3.82Å; V42-L277 HydrophobicContact CG2-CD1 3.68Å
43	R	96.7	Very high	86.2	Confident	25 Å²	25	63.8 Å²	63.8	9%	0.094	36%	0.359	C	S	.	.	H	α-helix	trans	-58.7	-47.4	175.5	-170.1	-171.1	-59.2	107	0.1	111.6	A39 A45 F46 L47 E132 L134 L270	A39-R43 PolarHBondContact O-N 2.84Å; R43-A45 VanDerWaalsContact C-N 3.34Å; R43-A45 PolarHBondContact O-N 2.88Å; R43-F46 PolarHBondContact O-N 2.98Å; R43-L47 HydrophobicContact CG-CD1 4.37Å; R43-L47 WeakPolarHBondContact O-CG 3.16Å; R43-L47 PolarHBondContact O-N 2.78Å; R43-E132 IonicContact CZ-OE1 3.34Å; R43-E132 IonicContact CZ-OE2 2.76Å; R43-E132 IonicContact NE-OE1 2.59Å; R43-E132 IonicContact NE-OE2 2.98Å; R43-E132 PolarHBondContact NE-OE2 3.18Å; R43-E132 VanDerWaalsContact NH2-CD 3.27Å; R43-E132 IonicContact NH2-OE1 3.01Å; R43-E132 PolarHBondContact NH2-OE1 3.06Å; R43-E132 IonicContact NH2-OE2 2.7Å; R43-E132 PolarHBondContact NH2-OE2 2.85Å; R43-E132 VanDerWaalsContact NH2-OE2 3.08Å; R43-L134 HydrophobicContact CG-CD2 4.02Å; R43-L270 HydrophobicContact CB-CD1 4.28Å; R43-L270 HydrophobicContact CB-CD2 4.49Å
44	A	95.6	Very high	89.2	Confident	42 Å²	42	57.2 Å²	57.2	35%	0.347	33%	0.328	S	S	.	.	H	α-helix	trans	-63.6	-38.5	179.2	0	0	0	0	0	112.4	S40 A41 V42 L47 N48	S40-A44 WeakPolarHBondContact O-CB 3.28Å; S40-A44 PolarHBondContact O-N 3.26Å; A41-A44 PolarHBondContact O-N 3.03Å; V42-A44 PolarHBondContact O-N 3.4Å; A44-L47 PolarHBondContact O-N 3.1Å; A44-N48 VanDerWaalsContact O-CB 3.23Å; A44-N48 WeakPolarHBondContact O-CB 3.33Å; A44-N48 PolarHBondContact O-N 3.17Å; A44-N48 PolarHBondContact O-ND2 3.47Å; A44-N48 VanDerWaalsContact O-ND2 3.12Å
45	A	97.3	Very high	91.9	Very high	30 Å²	30	54.7 Å²	54.7	25%	0.248	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-43	177.1	0	0	0	0	0	112	A41 V42 R43 F49 Y160	A41-A45 WeakPolarHBondContact O-CB 3.46Å; A41-A45 PolarHBondContact O-N 2.97Å; V42-A45 PolarHBondContact O-N 2.75Å; R43-A45 VanDerWaalsContact C-N 3.34Å; R43-A45 PolarHBondContact O-N 2.88Å; A45-F49 VanDerWaalsContact O-CB 3.23Å; A45-F49 WeakPolarHBondContact O-CB 3.28Å; A45-F49 PolarHBondContact O-N 3.26Å; A45-Y160 HydrophobicContact CB-CE1 3.9Å
46	F	98.1	Very high	94.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.4	-54.4	174.5	178.2	-87.7	0	0	0	111.2	V42 R43 N48 F49 F50 A103 L134 L155 Y160 W241 M268	V42-F46 PolarHBondContact O-N 2.91Å; R43-F46 PolarHBondContact O-N 2.98Å; F46-N48 PolarHBondContact O-N 2.86Å; F46-F49 PolarHBondContact O-N 3.42Å; F46-F50 HydrophobicContact CD1-CD2 4.17Å; F46-F50 HydrophobicContact CD2-CD2 4.23Å; F46-F50 AromaticContact CD2-CE2 3.94Å; F46-F50 HydrophobicContact CD2-CE2 3.94Å; F46-F50 AromaticContact CE1-CD2 3.85Å; F46-F50 HydrophobicContact CE1-CD2 3.85Å; F46-F50 HydrophobicContact CE1-CE2 4.11Å; F46-F50 AromaticContact CE2-CD2 3.92Å; F46-F50 HydrophobicContact CE2-CD2 3.92Å; F46-F50 AromaticContact CE2-CE2 3.39Å; F46-F50 HydrophobicContact CE2-CE2 3.39Å; F46-F50 HydrophobicContact CE2-CZ 4.43Å; F46-F50 HydrophobicContact CG-CD2 4.33Å; F46-F50 HydrophobicContact CG-CE2 4.49Å; F46-F50 AromaticContact CZ-CD2 3.69Å; F46-F50 HydrophobicContact CZ-CD2 3.69Å; F46-F50 AromaticContact CZ-CE2 3.46Å; F46-F50 HydrophobicContact CZ-CE2 3.46Å; F46-F50 VanDerWaalsContact CZ-CE2 3.46Å; F46-F50 HydrophobicContact CZ-CZ 4.47Å; F46-F50 WeakPolarHBondContact O-CD2 3.3Å; F46-F50 PolarHBondContact O-N 2.81Å; F46-A103 HydrophobicContact CE1-CB 4.44Å; F46-L134 HydrophobicContact CB-CD1 4.09Å; F46-L134 HydrophobicContact CB-CD2 4.47Å; F46-L134 HydrophobicContact CD1-CB 4.06Å; F46-L134 HydrophobicContact CD1-CD2 4.12Å; F46-L134 HydrophobicContact CD1-CG 4.5Å; F46-L134 HydrophobicContact CD2-CB 3.92Å; F46-L134 HydrophobicContact CD2-CD1 3.97Å; F46-L134 HydrophobicContact CD2-CG 4.47Å; F46-L134 HydrophobicContact CE1-CB 3.94Å; F46-L134 HydrophobicContact CE2-CB 3.79Å; F46-L134 HydrophobicContact CG-CB 4.08Å; F46-L134 HydrophobicContact CG-CD1 3.99Å; F46-L134 HydrophobicContact CG-CD2 4.25Å; F46-L134 HydrophobicContact CG-CG 4.34Å; F46-L134 HydrophobicContact CZ-CB 3.82Å; F46-L155 HydrophobicContact CD2-CD2 3.56Å; F46-L155 HydrophobicContact CE2-CD2 3.99Å; F46-L155 HydrophobicContact CG-CD2 4.49Å; F46-Y160 WeakPolarHBondContact CB-OH 3.2Å; F46-Y160 PolarHBondContact N-OH 3.09Å; F46-W241 HydrophobicContact CE2-CH2 4.06Å; F46-W241 AromaticContact CE2-CZ2 3.91Å; F46-W241 HydrophobicContact CE2-CZ2 3.91Å; F46-M268 HydrophobicContact CD2-CE 3.48Å; F46-M268 VanDerWaalsContact CD2-CE 3.48Å; F46-M268 HydrophobicContact CE2-CE 3.64Å
47	L	97.7	Very high	95.6	Very high	36 Å²	36	52.4 Å²	52.4	19%	0.188	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-43.1	-176.2	-63.1	172.9	0	0	0	111.7	R43 A44 R51 L58	R43-L47 HydrophobicContact CG-CD1 4.37Å; R43-L47 WeakPolarHBondContact O-CG 3.16Å; R43-L47 PolarHBondContact O-N 2.78Å; A44-L47 PolarHBondContact O-N 3.1Å; L47-R51 WeakPolarHBondContact O-CB 3.48Å; L47-R51 PolarHBondContact O-N 2.93Å; L47-L58 HydrophobicContact CB-CD1 4.13Å; L47-L58 HydrophobicContact CB-CD2 4.04Å; L47-L58 HydrophobicContact CD2-CD2 4.05Å
48	N	97.9	Very high	96.3	Very high	64 Å²	64	53.2 Å²	53.2	34%	0.342	28%	0.283	S	S	.	.	H	α-helix	trans	-65.5	-38.8	178	-68.4	-27	0	0	0	111.5	A44 F46 R51 D52	A44-N48 VanDerWaalsContact O-CB 3.23Å; A44-N48 WeakPolarHBondContact O-CB 3.33Å; A44-N48 PolarHBondContact O-N 3.17Å; A44-N48 PolarHBondContact O-ND2 3.47Å; A44-N48 VanDerWaalsContact O-ND2 3.12Å; F46-N48 PolarHBondContact O-N 2.86Å; N48-R51 PolarHBondContact O-N 2.74Å; N48-R51 VanDerWaalsContact OD1-CZ 3.23Å; N48-R51 PolarHBondContact OD1-NH1 3Å; N48-R51 PolarHBondContact OD1-NH2 2.93Å; N48-D52 WeakPolarHBondContact O-CB 3.39Å; N48-D52 VanDerWaalsContact O-CG 3.23Å; N48-D52 PolarHBondContact O-N 3.39Å
49	F	98.2	Very high	96.4	Very high	7 Å²	7	47 Å²	47	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-52.9	176.4	171.5	-100.7	0	0	0	111.7	A45 F46 R51 R53 H54 E154 L155 V159	A45-F49 VanDerWaalsContact O-CB 3.23Å; A45-F49 WeakPolarHBondContact O-CB 3.28Å; A45-F49 PolarHBondContact O-N 3.26Å; F46-F49 PolarHBondContact O-N 3.42Å; F49-R51 PolarHBondContact O-N 2.9Å; F49-R53 HydrophobicContact CD2-CB 4.42Å; F49-R53 HydrophobicContact CD2-CG 4.19Å; F49-R53 HydrophobicContact CE2-CB 4.48Å; F49-R53 HydrophobicContact CE2-CG 4.47Å; F49-R53 WeakPolarHBondContact O-CB 3.21Å; F49-R53 PolarHBondContact O-N 3.2Å; F49-H54 AromaticContact CE1-CD2 3.46Å; F49-H54 VanDerWaalsContact CE1-CD2 3.46Å; F49-H54 WeakPolarHBondContact CE1-CD2 3.44Å; F49-H54 AromaticContact CE1-NE2 3.5Å; F49-H54 AromaticContact CE2-NE2 3.67Å; F49-H54 AromaticContact CZ-CD2 3.54Å; F49-H54 AromaticContact CZ-NE2 3.07Å; F49-H54 WeakPolarHBondContact CZ-NE2 3.17Å; F49-E154 HydrophobicContact CE2-CG 3.99Å; F49-E154 HydrophobicContact CZ-CB 4.21Å; F49-E154 HydrophobicContact CZ-CG 4.09Å; F49-L155 HydrophobicContact CB-CD1 3.91Å; F49-L155 HydrophobicContact CD1-CB 4.09Å; F49-L155 HydrophobicContact CD1-CD1 3.78Å; F49-L155 HydrophobicContact CD1-CD2 4.05Å; F49-L155 HydrophobicContact CD1-CG 4.18Å; F49-L155 HydrophobicContact CD2-CD1 4.17Å; F49-L155 HydrophobicContact CE1-CB 3.76Å; F49-L155 HydrophobicContact CE1-CD1 4.31Å; F49-L155 HydrophobicContact CE1-CD2 4.37Å; F49-L155 HydrophobicContact CE1-CG 4.35Å; F49-L155 HydrophobicContact CG-CD1 3.69Å; F49-L155 HydrophobicContact CZ-CB 3.99Å; F49-V159 HydrophobicContact CD2-CG2 3.62Å; F49-V159 HydrophobicContact CE2-CG2 3.83Å
50	F	98.3	Very high	96.3	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-37.3	-179.1	-82.1	-71.2	0	0	0	112.9	F46 H54 G55 H56 A103 N136 M151 L155 W241	F46-F50 HydrophobicContact CD1-CD2 4.17Å; F46-F50 HydrophobicContact CD2-CD2 4.23Å; F46-F50 AromaticContact CD2-CE2 3.94Å; F46-F50 HydrophobicContact CD2-CE2 3.94Å; F46-F50 AromaticContact CE1-CD2 3.85Å; F46-F50 HydrophobicContact CE1-CD2 3.85Å; F46-F50 HydrophobicContact CE1-CE2 4.11Å; F46-F50 AromaticContact CE2-CD2 3.92Å; F46-F50 HydrophobicContact CE2-CD2 3.92Å; F46-F50 AromaticContact CE2-CE2 3.39Å; F46-F50 HydrophobicContact CE2-CE2 3.39Å; F46-F50 HydrophobicContact CE2-CZ 4.43Å; F46-F50 HydrophobicContact CG-CD2 4.33Å; F46-F50 HydrophobicContact CG-CE2 4.49Å; F46-F50 AromaticContact CZ-CD2 3.69Å; F46-F50 HydrophobicContact CZ-CD2 3.69Å; F46-F50 AromaticContact CZ-CE2 3.46Å; F46-F50 HydrophobicContact CZ-CE2 3.46Å; F46-F50 VanDerWaalsContact CZ-CE2 3.46Å; F46-F50 HydrophobicContact CZ-CZ 4.47Å; F46-F50 WeakPolarHBondContact O-CD2 3.3Å; F46-F50 PolarHBondContact O-N 2.81Å; F50-H54 HydrophobicContact CD1-CB 4.46Å; F50-H54 CarbonylContact O-C 3.52Å; F50-H54 VanDerWaalsContact O-C 3.3Å; F50-H54 PolarHBondContact O-N 2.74Å; F50-G55 PolarHBondContact O-N 3.05Å; F50-G55 VanDerWaalsContact O-N 3.13Å; F50-H56 HydrophobicContact CB-CB 3.98Å; F50-H56 AromaticContact CD1-CD2 3.89Å; F50-H56 AromaticContact CD1-CE1 3.66Å; F50-H56 AromaticContact CD1-CG 3.98Å; F50-H56 AromaticContact CD1-ND1 3.84Å; F50-H56 AromaticContact CD1-NE2 3.7Å; F50-H56 WeakPolarHBondContact O-CB 3.44Å; F50-H56 PolarHBondContact O-N 3.3Å; F50-A103 HydrophobicContact CB-CB 3.88Å; F50-A103 HydrophobicContact CG-CB 4.3Å; F50-N136 HydrophobicContact CD1-CB 3.87Å; F50-N136 HydrophobicContact CD2-CB 4.31Å; F50-N136 HydrophobicContact CE1-CB 3.69Å; F50-N136 VanDerWaalsContact CE1-ND2 3.33Å; F50-N136 WeakPolarHBondContact CE1-ND2 3.25Å; F50-N136 HydrophobicContact CE2-CB 4.15Å; F50-N136 HydrophobicContact CG-CB 4.18Å; F50-N136 HydrophobicContact CZ-CB 3.84Å; F50-N136 VanDerWaalsContact CZ-OD1 3.27Å; F50-N136 WeakPolarHBondContact CZ-OD1 3.12Å; F50-M151 HydrophobicContact CD1-SD 4.42Å; F50-M151 HydrophobicContact CE1-CB 4.26Å; F50-M151 HydrophobicContact CE1-SD 3.95Å; F50-L155 HydrophobicContact CE2-CD2 3.81Å; F50-W241 HydrophobicContact CE2-CH2 4.01Å; F50-W241 HydrophobicContact CE2-CZ2 4.27Å; F50-W241 AromaticContact CZ-CH2 3.85Å; F50-W241 HydrophobicContact CZ-CH2 3.85Å; F50-W241 HydrophobicContact CZ-CZ2 4.07Å
51	R	97.7	Very high	96.2	Very high	102 Å²	102	50.2 Å²	50.2	39%	0.385	28%	0.277	S	S	.	.	H	α-helix	trans	-66.5	-53.6	175.3	-175	-170.9	67.5	-135	-10.8	112	L47 N48 F49 G55 H56 L58	L47-R51 WeakPolarHBondContact O-CB 3.48Å; L47-R51 PolarHBondContact O-N 2.93Å; N48-R51 PolarHBondContact O-N 2.74Å; N48-R51 VanDerWaalsContact OD1-CZ 3.23Å; N48-R51 PolarHBondContact OD1-NH1 3Å; N48-R51 PolarHBondContact OD1-NH2 2.93Å; F49-R51 PolarHBondContact O-N 2.9Å; R51-G55 WeakPolarHBondContact O-CA 3.39Å; R51-G55 PolarHBondContact O-N 3Å; R51-H56 WeakPolarHBondContact CA-O 3.32Å; R51-L58 HydrophobicContact CB-CD1 4.28Å; R51-L58 HydrophobicContact CB-CD2 4.15Å; R51-L58 HydrophobicContact CB-CG 4.12Å; R51-L58 HydrophobicContact CG-CG 4.37Å
52	D	96.9	Very high	96.1	Very high	106 Å²	106	48 Å²	48	57%	0.567	26%	0.259	S	S	*	.	H	α-helix	trans	-85.2	-32.8	-165.6	-59.3	-27.8	0	0	0	112.6	N48	N48-D52 WeakPolarHBondContact O-CB 3.39Å; N48-D52 VanDerWaalsContact O-CG 3.23Å; N48-D52 PolarHBondContact O-N 3.39Å
53	R	96.2	Very high	95.8	Very high	141 Å²	141	48.4 Å²	48.4	53%	0.532	26%	0.262	S	S	.	.	H	α-helix	trans	-97.1	-32.6	-179.8	-60.4	-161.6	-173	-170.3	0.2	114.2	F49 E154	F49-R53 HydrophobicContact CD2-CB 4.42Å; F49-R53 HydrophobicContact CD2-CG 4.19Å; F49-R53 HydrophobicContact CE2-CB 4.48Å; F49-R53 HydrophobicContact CE2-CG 4.47Å; F49-R53 WeakPolarHBondContact O-CB 3.21Å; F49-R53 PolarHBondContact O-N 3.2Å; R53-E154 IonicContact CZ-OE1 2.64Å; R53-E154 IonicContact NH1-OE1 3.95Å; R53-E154 PolarHBondContact NH1-OE1 2.71Å
54	H	96.1	Very high	95.6	Very high	34 Å²	34	47.2 Å²	47.2	16%	0.157	26%	0.257	C	S	.	.	H	α-helix	trans	-121.3	10.8	-172.2	-58.4	-70.5	0	0	0	114	F49 F50 H56 M151 E154	F49-H54 AromaticContact CE1-CD2 3.46Å; F49-H54 VanDerWaalsContact CE1-CD2 3.46Å; F49-H54 WeakPolarHBondContact CE1-CD2 3.44Å; F49-H54 AromaticContact CE1-NE2 3.5Å; F49-H54 AromaticContact CE2-NE2 3.67Å; F49-H54 AromaticContact CZ-CD2 3.54Å; F49-H54 AromaticContact CZ-NE2 3.07Å; F49-H54 WeakPolarHBondContact CZ-NE2 3.17Å; F50-H54 HydrophobicContact CD1-CB 4.46Å; F50-H54 CarbonylContact O-C 3.52Å; F50-H54 VanDerWaalsContact O-C 3.3Å; F50-H54 PolarHBondContact O-N 2.74Å; H54-H56 WeakPolarHBondContact CB-ND1 3.3Å; H54-H56 PolarHBondContact O-N 2.6Å; H54-H56 VanDerWaalsContact O-N 3.12Å; H54-H56 PolarHBondContact O-ND1 3.11Å; H54-M151 HydrophobicContact CB-SD 3.76Å; H54-E154 IonicContact CE1-OE2 3.45Å; H54-E154 IonicContact NE2-OE2 2.7Å
55	G	95.4	Very high	95.2	Very high	60 Å²	60	49.9 Å²	49.9	62%	0.619	26%	0.258	S	S	*	.			trans	63	21.3	171.5	0	0	0	0	0	115.3	F50 R51	F50-G55 PolarHBondContact O-N 3.05Å; F50-G55 VanDerWaalsContact O-N 3.13Å; R51-G55 WeakPolarHBondContact O-CA 3.39Å; R51-G55 PolarHBondContact O-N 3Å
56	H	97.6	Very high	94.5	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.019	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-72.5	139.2	178.3	-68.6	52.4	0	0	0	110.6	F50 R51 H54 R101 V102 A103 Y143	F50-H56 HydrophobicContact CB-CB 3.98Å; F50-H56 AromaticContact CD1-CD2 3.89Å; F50-H56 AromaticContact CD1-CE1 3.66Å; F50-H56 AromaticContact CD1-CG 3.98Å; F50-H56 AromaticContact CD1-ND1 3.84Å; F50-H56 AromaticContact CD1-NE2 3.7Å; F50-H56 WeakPolarHBondContact O-CB 3.44Å; F50-H56 PolarHBondContact O-N 3.3Å; R51-H56 WeakPolarHBondContact CA-O 3.32Å; H54-H56 WeakPolarHBondContact CB-ND1 3.3Å; H54-H56 PolarHBondContact O-N 2.6Å; H54-H56 VanDerWaalsContact O-N 3.12Å; H54-H56 PolarHBondContact O-ND1 3.11Å; H56-R101 HydrophobicContact CB-CB 4.4Å; H56-V102 PolarHBondContact CD2-O 3.07Å; H56-A103 HydrophobicContact CB-CB 4.13Å; H56-Y143 AromaticContact CE1-CE1 3.78Å; H56-Y143 AromaticContact NE2-CE1 3.56Å; H56-Y143 AromaticContact NE2-CZ 3.78Å; H56-Y143 PolarHBondContact NE2-OH 2.94Å
57	R	96.6	Very high	93.4	Very high	132 Å²	132	54.9 Å²	54.9	50%	0.498	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	127.4	170.6	180	-179.4	-172.5	126.9	6.7	109.4	V59 E95 R101 V102 A103	R57-V59 HydrophobicContact CG-CG1 4.32Å; R57-V59 PolarHBondContact O-N 3.46Å; R57-E95 IonicContact CZ-OE1 3.32Å; R57-E95 IonicContact NE-OE1 2.89Å; R57-E95 PolarHBondContact NE-OE1 2.92Å; R57-E95 IonicContact NH1-OE1 2.7Å; R57-E95 IonicContact NH2-OE1 3.29Å; R57-E95 PolarHBondContact NH2-OE1 3.29Å; R57-E95 IonicContact NH2-OE2 3.93Å; R57-R101 PolarHBondContact N-O 2.78Å; R57-V102 HydrophobicContact CB-CG1 4.28Å; R57-V102 CarbonylContact O-C 3.52Å; R57-V102 WeakPolarHBondContact O-CA 3.47Å; R57-A103 PolarHBondContact O-N 2.99Å
58	L	96.4	Very high	91.9	Very high	63 Å²	63	57.4 Å²	57.4	33%	0.33	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	124.3	172.4	-57.6	-173.2	0	0	0	109.4	L47 R51 A103	L47-L58 HydrophobicContact CB-CD1 4.13Å; L47-L58 HydrophobicContact CB-CD2 4.04Å; L47-L58 HydrophobicContact CD2-CD2 4.05Å; R51-L58 HydrophobicContact CB-CD1 4.28Å; R51-L58 HydrophobicContact CB-CD2 4.15Å; R51-L58 HydrophobicContact CB-CG 4.12Å; R51-L58 HydrophobicContact CG-CG 4.37Å; L58-A103 WeakPolarHBondContact CA-O 3.32Å; L58-A103 HydrophobicContact CD2-CB 4.17Å
59	V	93.6	Very high	90.6	Very high	14 Å²	14	55.6 Å²	55.6	9%	0.085	30%	0.298	C	S	.	.			trans	-116.2	143.3	177.5	-63.8	0	0	0	0	109.5	R57 F82 F99 V102 A103 N104	R57-V59 HydrophobicContact CG-CG1 4.32Å; R57-V59 PolarHBondContact O-N 3.46Å; V59-F82 HydrophobicContact CG2-CE1 4.22Å; V59-F82 HydrophobicContact CG2-CZ 3.71Å; V59-F99 HydrophobicContact CG1-CE1 4.28Å; V59-F99 HydrophobicContact CG1-CE2 4.02Å; V59-F99 HydrophobicContact CG1-CZ 3.79Å; V59-V102 HydrophobicContact CG1-CB 4.14Å; V59-V102 HydrophobicContact CG1-CG1 3.97Å; V59-V102 HydrophobicContact CG2-CB 4.12Å; V59-V102 HydrophobicContact CG2-CG2 4.45Å; V59-A103 PolarHBondContact N-O 3.19Å; V59-A103 VanDerWaalsContact N-O 3.14Å; V59-N104 HydrophobicContact CG2-CB 3.93Å; V59-N104 WeakPolarHBondContact O-CB 3.31Å
60	P	91.1	Very high	89.1	Confident	110 Å²	110	61.1 Å²	61.1	71%	0.714	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-61.7	161.6	177.2	-23.7	34.8	0	0	0	112.8	N104	P60-N104 PolarHBondContact O-ND2 3.14Å
61	S	92.8	Very high	87.8	Confident	31 Å²	31	64.2 Å²	64.2	22%	0.217	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-65.3	136.7	166.9	-178	0	0	0	0	110.1	S105 Q106 K107	S61-S105 WeakPolarHBondContact CB-O 3.27Å; S61-Q106 PolarHBondContact OG-NE2 3.22Å; S61-Q106 VanDerWaalsContact OG-NE2 3.17Å; S61-Q106 PolarHBondContact OG-OE1 3.43Å; S61-K107 WeakPolarHBondContact OG-CE 3.46Å; S61-K107 PolarHBondContact OG-N 3.32Å
62	A	90.9	Very high	86.9	Confident	6 Å²	6	60.7 Å²	60.7	5%	0.05	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-70.1	161.6	164.3	0	0	0	0	0	111.1	Q81 Q106 K107	A62-Q81 HydrophobicContact CB-CB 3.75Å; A62-Q106 PolarHBondContact O-NE2 2.95Å; A62-K107 WeakPolarHBondContact O-CE 3.47Å
63	S	90.5	Very high	86.3	Confident	10 Å²	10	58.5 Å²	58.5	7%	0.07	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-58.5	148.7	168.2	174.7	0	0	0	0	111.2	R65 V75 D337 D714	S63-R65 PolarHBondContact O-N 2.94Å; S63-R65 WeakPolarHBondContact OG-CB 3.37Å; S63-R65 PolarHBondContact OG-N 2.87Å; S63-R65 VanDerWaalsContact OG-N 3.11Å; S63-V75 VanDerWaalsContact O-CG2 3.27Å; S63-V75 WeakPolarHBondContact O-CG2 3.35Å; S63-D337 WeakPolarHBondContact CA-OD2 3.37Å; S63-D337 WeakPolarHBondContact OG-CB 3.46Å; S63-D714 WeakPolarHBondContact CB-OD2 3.48Å
64	V	92	Very high	86.1	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	-67.4	-15.1	170.9	-60.2	0	0	0	0	112.7	P66 F74 V75 K107 V109 V333 C334 D337	V64-P66 WeakPolarHBondContact O-CD 3.11Å; V64-F74 HydrophobicContact CG2-CD1 4.46Å; V64-F74 CarbonylContact O-C 3.57Å; V64-F74 VanDerWaalsContact O-CA 3.31Å; V64-F74 WeakPolarHBondContact O-CA 3.32Å; V64-V75 PolarHBondContact O-N 2.88Å; V64-K107 HydrophobicContact CG1-CB 3.67Å; V64-V109 HydrophobicContact CB-CG2 4.1Å; V64-V109 HydrophobicContact CG1-CG2 3.87Å; V64-V333 HydrophobicContact CG1-CG1 3.72Å; V64-C334 HydrophobicContact CG2-CB 4.43Å; V64-D337 HydrophobicContact CG2-CB 3.84Å; V64-D337 WeakPolarHBondContact CG2-OD2 3.21Å; V64-D337 PolarHBondContact N-OD2 2.86Å
65	R	87.4	Confident	85.9	Confident	98 Å²	98	50.8 Å²	50.8	37%	0.37	30%	0.303	S	S	.	.	S	Bend	trans	-77.6	119.8	169.3	-179.6	-179	171.7	-175.3	-4.1	109.2	S63 R67 V339 Q653	S63-R65 PolarHBondContact O-N 2.94Å; S63-R65 WeakPolarHBondContact OG-CB 3.37Å; S63-R65 PolarHBondContact OG-N 2.87Å; S63-R65 VanDerWaalsContact OG-N 3.11Å; R65-R67 PolarHBondContact O-N 3.2Å; R65-V339 HydrophobicContact CB-CG2 4.07Å; R65-Q653 PolarHBondContact NH2-O 2.9Å; R65-Q653 VanDerWaalsContact NH2-O 3.1Å
66	P	82.8	Confident	85.7	Confident	22 Å²	22	48.6 Å²	48.6	14%	0.143	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-61.4	130.8	177.5	-22.3	34.1	0	0	0	111.6	V64 D69 L72 V75	V64-P66 WeakPolarHBondContact O-CD 3.11Å; P66-D69 HydrophobicContact CB-CB 4.17Å; P66-L72 HydrophobicContact CB-CB 4.16Å; P66-L72 HydrophobicContact CG-CB 3.69Å; P66-V75 HydrophobicContact CG-CG2 4.44Å
67	R	75.9	Confident	85.4	Confident	113 Å²	113	48.5 Å²	48.5	43%	0.426	28%	0.278	S	S	.	.	S	Bend	trans	-84.1	116.8	174.8	-66.2	-174.7	-174.2	149.8	-1	110.2	R65 D69 D714	R65-R67 PolarHBondContact O-N 3.2Å; R67-D69 PolarHBondContact O-N 2.95Å; R67-D714 WeakPolarHBondContact CD-O 3.49Å; R67-D714 IonicContact CZ-OD1 3.89Å; R67-D714 PolarHBondContact NE-O 3.22Å; R67-D714 IonicContact NE-OD1 3.92Å; R67-D714 PolarHBondContact NE-OD1 2.89Å; R67-D714 IonicContact NE-OD2 3.16Å; R67-D714 IonicContact NH2-OD1 3.6Å; R67-D714 PolarHBondContact NH2-OD1 3.48Å
68	G	64.8	Low	85.2	Confident	88 Å²	88	42.2 Å²	42.2	91%	0.907	25%	0.254	S	S	*	.	S	Bend	trans	63.3	13.7	172.9	0	0	0	0	0	115.6	P70	G68-P70 WeakPolarHBondContact O-CD 3.48Å
69	D	71.6	Confident	85	Confident	26 Å²	26	39.2 Å²	39.2	14%	0.139	24%	0.238	C	C	.	.			trans	-115	99.1	-179.1	-166.3	-18.4	0	0	0	111.4	P66 R67 S71 K83	P66-D69 HydrophobicContact CB-CB 4.17Å; R67-D69 PolarHBondContact O-N 2.95Å; D69-S71 PolarHBondContact O-N 2.87Å; D69-S71 VanDerWaalsContact OD1-CB 3.32Å; D69-S71 WeakPolarHBondContact OD1-CB 3.24Å; D69-S71 PolarHBondContact OD1-N 2.78Å; D69-S71 PolarHBondContact OD1-OG 3.14Å; D69-K83 IonicContact OD1-NZ 2.72Å; D69-K83 VanDerWaalsContact OD2-CD 3.31Å; D69-K83 WeakPolarHBondContact OD2-CD 3.42Å; D69-K83 IonicContact OD2-NZ 3.87Å; D69-K83 PolarHBondContact OD2-NZ 3.5Å
70	P	66.9	Low	84.9	Confident	123 Å²	123	39.3 Å²	39.3	80%	0.799	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-6.9	179.2	32.2	-35.9	0	0	0	113.8	G68 L72	G68-P70 WeakPolarHBondContact O-CD 3.48Å; P70-L72 VanDerWaalsContact C-N 3.31Å
71	S	71.1	Confident	84.8	Confident	66 Å²	66	35.6 Å²	35.6	46%	0.462	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-11.3	-179	71.9	0	0	0	0	113.7	D69	D69-S71 PolarHBondContact O-N 2.87Å; D69-S71 VanDerWaalsContact OD1-CB 3.32Å; D69-S71 WeakPolarHBondContact OD1-CB 3.24Å; D69-S71 PolarHBondContact OD1-N 2.78Å; D69-S71 PolarHBondContact OD1-OG 3.14Å
72	L	79.2	Confident	84.7	Confident	27 Å²	27	34.1 Å²	34.1	14%	0.141	20%	0.201	C	C	.	.			trans	-118.6	143	-176.4	-70.2	175.5	0	0	0	112.3	P66 P70 N80 M212	P66-L72 HydrophobicContact CB-CB 4.16Å; P66-L72 HydrophobicContact CG-CB 3.69Å; P70-L72 VanDerWaalsContact C-N 3.31Å; L72-N80 WeakPolarHBondContact CD1-ND2 3.24Å; L72-M212 HydrophobicContact CD1-CE 4.44Å; L72-M212 HydrophobicContact CD1-SD 3.68Å; L72-M212 HydrophobicContact CD2-SD 3.6Å; L72-M212 VanDerWaalsContact CD2-SD 3.6Å; L72-M212 HydrophobicContact CG-SD 3.87Å
73	L	84.1	Confident	84.6	Confident	61 Å²	61	35.2 Å²	35.2	32%	0.319	21%	0.205	S	C	.	.	S	Bend	trans	-83.4	-41.8	169.6	-65.8	177.3	0	0	0	111.5	P346 V349	L73-P346 HydrophobicContact CB-CG 4.18Å; L73-P346 HydrophobicContact CD2-CG 3.97Å; L73-P346 WeakPolarHBondContact O-CG 3.42Å; L73-V349 HydrophobicContact CD1-CG2 4.14Å
74	F	90.8	Very high	84.5	Confident	7 Å²	7	36.9 Å²	36.9	3%	0.031	22%	0.215	C	C	.	.	S	Bend	trans	-138.9	158	177.9	-61.8	-81.7	0	0	0	110.1	V64 N76 V109 V339 P346 V349	V64-F74 HydrophobicContact CG2-CD1 4.46Å; V64-F74 CarbonylContact O-C 3.57Å; V64-F74 VanDerWaalsContact O-CA 3.31Å; V64-F74 WeakPolarHBondContact O-CA 3.32Å; F74-N76 PolarHBondContact O-N 2.9Å; F74-V109 HydrophobicContact CB-CB 3.84Å; F74-V109 HydrophobicContact CB-CG1 4.18Å; F74-V109 HydrophobicContact CD1-CB 4.32Å; F74-V109 HydrophobicContact CD1-CG1 4.25Å; F74-V109 HydrophobicContact CD2-CG1 4.01Å; F74-V109 HydrophobicContact CE2-CG1 4.48Å; F74-V109 HydrophobicContact CG-CB 4.02Å; F74-V109 HydrophobicContact CG-CG1 3.89Å; F74-V339 HydrophobicContact CE1-CG1 4.06Å; F74-V339 HydrophobicContact CZ-CG1 4.47Å; F74-P346 HydrophobicContact CE1-CB 3.96Å; F74-P346 HydrophobicContact CE2-CB 4.03Å; F74-P346 HydrophobicContact CZ-CB 3.63Å; F74-V349 HydrophobicContact CE2-CB 3.88Å; F74-V349 HydrophobicContact CE2-CG1 3.91Å; F74-V349 HydrophobicContact CE2-CG2 4.3Å; F74-V349 HydrophobicContact CZ-CB 4.34Å
75	V	91.9	Very high	84.4	Confident	5 Å²	5	38 Å²	38	3%	0.03	22%	0.221	C	C	.	.			trans	-63.6	115.5	164.7	170.4	0	0	0	0	108.1	S63 V64 P66 A77 N80 Q106 C108 V109	S63-V75 VanDerWaalsContact O-CG2 3.27Å; S63-V75 WeakPolarHBondContact O-CG2 3.35Å; V64-V75 PolarHBondContact O-N 2.88Å; P66-V75 HydrophobicContact CG-CG2 4.44Å; V75-A77 WeakPolarHBondContact CG1-O 3.44Å; V75-N80 HydrophobicContact CG1-CB 4.06Å; V75-N80 HydrophobicContact CG2-CB 4.3Å; V75-Q106 HydrophobicContact CG1-CG 4.12Å; V75-C108 WeakPolarHBondContact O-CA 3.42Å; V75-V109 PolarHBondContact O-N 2.99Å
76	N	91.3	Very high	84.5	Confident	14 Å²	14	33.5 Å²	33.5	8%	0.075	20%	0.204	C	C	.	.			trans	-109	-10.6	-174.4	63.9	-3.1	0	0	0	113	F74 N80 R110 M212	F74-N76 PolarHBondContact O-N 2.9Å; N76-N80 PolarHBondContact N-OD1 3.13Å; N76-N80 PolarHBondContact OD1-ND2 3.03Å; N76-N80 PolarHBondContact OD1-OD1 3.32Å; N76-R110 HydrophobicContact CB-CG 4.44Å; N76-M212 PolarHBondContact ND2-O 3.1Å
77	A	92	Very high	84.7	Confident	3 Å²	3	33.9 Å²	33.9	3%	0.025	20%	0.204	C	C	.	.	S	Bend	trans	-149	155.8	179.5	0	0	0	0	0	112.1	V75 M79 N80 M133 W210	V75-A77 WeakPolarHBondContact CG1-O 3.44Å; A77-M79 HydrophobicContact CB-CG 4.18Å; A77-M79 PolarHBondContact O-N 2.87Å; A77-N80 PolarHBondContact N-OD1 2.99Å; A77-N80 PolarHBondContact O-N 3.08Å; A77-N80 PolarHBondContact O-OD1 3.16Å; A77-M133 HydrophobicContact CB-CE 4.32Å; A77-M133 HydrophobicContact CB-SD 4.28Å; A77-W210 HydrophobicContact CB-CH2 4.19Å; A77-W210 HydrophobicContact CB-CZ2 3.85Å
78	G	92	Very high	85.1	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-58.7	-32.4	177.9	0	0	0	0	0	114.3	N80 Q81 M133 W137	G78-N80 VanDerWaalsContact C-N 3.28Å; G78-N80 PolarHBondContact O-N 3.06Å; G78-Q81 PolarHBondContact O-NE2 2.97Å; G78-M133 PolarHBondContact N-SD 3.28Å; G78-W137 VanDerWaalsContact CA-CZ2 3.5Å
79	M	91.8	Very high	86.1	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-67.4	-20.5	-179.2	76.5	77.3	72.9	0	0	114.7	A77 Q81 F82 K83 F86 W210 M212 P217 M246 D265	A77-M79 HydrophobicContact CB-CG 4.18Å; A77-M79 PolarHBondContact O-N 2.87Å; M79-Q81 PolarHBondContact O-N 3.23Å; M79-Q81 VanDerWaalsContact O-N 3.15Å; M79-F82 WeakPolarHBondContact O-CA 3.16Å; M79-F82 PolarHBondContact O-N 3.48Å; M79-K83 PolarHBondContact O-N 2.8Å; M79-F86 HydrophobicContact CB-CE2 3.84Å; M79-F86 HydrophobicContact CB-CZ 4.24Å; M79-F86 HydrophobicContact CE-CD2 3.54Å; M79-F86 HydrophobicContact CE-CE2 3.55Å; M79-F86 HydrophobicContact SD-CE2 4.42Å; M79-W210 HydrophobicContact CE-CZ3 4.34Å; M79-W210 HydrophobicContact CG-CH2 3.57Å; M79-W210 HydrophobicContact CG-CZ3 4.08Å; M79-W210 HydrophobicContact SD-CH2 4.15Å; M79-W210 HydrophobicContact SD-CZ3 4.47Å; M79-M212 HydrophobicContact SD-CB 4.24Å; M79-M212 HydrophobicContact SD-CG 3.98Å; M79-P217 HydrophobicContact CE-CB 4.11Å; M79-P217 HydrophobicContact CE-CG 4.3Å; M79-M246 HydrophobicContact CB-CE 4.07Å; M79-M246 HydrophobicContact CE-CE 3.33Å; M79-M246 HydrophobicContact CE-SD 3.87Å; M79-M246 HydrophobicContact CG-CE 3.93Å; M79-M246 HydrophobicContact SD-CE 4.47Å; M79-D265 HydrophobicContact CB-CB 4.46Å; M79-D265 VanDerWaalsContact CB-OD2 3.32Å; M79-D265 WeakPolarHBondContact CB-OD2 3.49Å; M79-D265 WeakPolarHBondContact CG-OD2 3.29Å
80	N	91.3	Very high	86.8	Confident	16 Å²	16	27.2 Å²	27.2	9%	0.086	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-58.3	-37	-171.2	-65.8	127.1	0	0	0	112.3	L72 V75 N76 A77 G78 F82 K83 M212	L72-N80 WeakPolarHBondContact CD1-ND2 3.24Å; V75-N80 HydrophobicContact CG1-CB 4.06Å; V75-N80 HydrophobicContact CG2-CB 4.3Å; N76-N80 PolarHBondContact N-OD1 3.13Å; N76-N80 PolarHBondContact OD1-ND2 3.03Å; N76-N80 PolarHBondContact OD1-OD1 3.32Å; A77-N80 PolarHBondContact N-OD1 2.99Å; A77-N80 PolarHBondContact O-N 3.08Å; A77-N80 PolarHBondContact O-OD1 3.16Å; G78-N80 VanDerWaalsContact C-N 3.28Å; G78-N80 PolarHBondContact O-N 3.06Å; N80-F82 PolarHBondContact O-N 3.04Å; N80-K83 WeakPolarHBondContact O-CB 3.3Å; N80-K83 PolarHBondContact O-N 2.98Å; N80-M212 VanDerWaalsContact ND2-CG 3.31Å; N80-M212 WeakPolarHBondContact ND2-CG 3.47Å
81	Q	89.3	Confident	87.6	Confident	31 Å²	31	24 Å²	24	15%	0.145	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-68.8	-20	178.7	71.9	-174.2	-41.4	0	0	113.4	A62 G78 M79 M96 N104	A62-Q81 HydrophobicContact CB-CB 3.75Å; G78-Q81 PolarHBondContact O-NE2 2.97Å; M79-Q81 PolarHBondContact O-N 3.23Å; M79-Q81 VanDerWaalsContact O-N 3.15Å; Q81-M96 VanDerWaalsContact O-CE 3.28Å; Q81-M96 WeakPolarHBondContact O-CE 3.26Å; Q81-N104 PolarHBondContact NE2-ND2 3.39Å
82	F	91.8	Very high	88.2	Confident	1 Å²	1	23.9 Å²	23.9	0%	0.004	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-103.2	4.4	-178.9	-51.7	-60.9	0	0	0	113	V59 M79 N80 P84 I85 F86 F99 V102 W137 F139	V59-F82 HydrophobicContact CG2-CE1 4.22Å; V59-F82 HydrophobicContact CG2-CZ 3.71Å; M79-F82 WeakPolarHBondContact O-CA 3.16Å; M79-F82 PolarHBondContact O-N 3.48Å; N80-F82 PolarHBondContact O-N 3.04Å; F82-P84 VanDerWaalsContact O-N 3.14Å; F82-I85 HydrophobicContact CB-CD1 4.35Å; F82-I85 HydrophobicContact CD1-CD1 4.2Å; F82-I85 WeakPolarHBondContact O-CA 3.43Å; F82-I85 WeakPolarHBondContact O-CB 3.38Å; F82-I85 PolarHBondContact O-N 3.31Å; F82-F86 HydrophobicContact CB-CE2 3.78Å; F82-F86 HydrophobicContact CB-CZ 4.05Å; F82-F86 WeakPolarHBondContact O-CD2 3.23Å; F82-F86 PolarHBondContact O-N 2.87Å; F82-F99 HydrophobicContact CD1-CD2 4.34Å; F82-F99 HydrophobicContact CE1-CD2 4.12Å; F82-F99 HydrophobicContact CE1-CE2 4.17Å; F82-V102 HydrophobicContact CE1-CG2 3.93Å; F82-V102 HydrophobicContact CE2-CG2 4.09Å; F82-V102 HydrophobicContact CZ-CG2 3.67Å; F82-W137 AromaticContact CD2-CD2 3.81Å; F82-W137 HydrophobicContact CD2-CD2 3.81Å; F82-W137 AromaticContact CD2-CE2 3.98Å; F82-W137 HydrophobicContact CD2-CE3 4.33Å; F82-W137 AromaticContact CD2-CG 3.94Å; F82-W137 HydrophobicContact CD2-CG 3.94Å; F82-W137 AromaticContact CE2-CD2 3.43Å; F82-W137 HydrophobicContact CE2-CD2 3.43Å; F82-W137 VanDerWaalsContact CE2-CD2 3.43Å; F82-W137 AromaticContact CE2-CE2 3.77Å; F82-W137 AromaticContact CE2-CE3 3.49Å; F82-W137 HydrophobicContact CE2-CE3 3.49Å; F82-W137 VanDerWaalsContact CE2-CE3 3.49Å; F82-W137 AromaticContact CE2-CG 3.99Å; F82-W137 HydrophobicContact CE2-CG 3.99Å; F82-W137 HydrophobicContact CE2-CH2 4.19Å; F82-W137 HydrophobicContact CE2-CZ2 4.19Å; F82-W137 AromaticContact CE2-CZ3 3.83Å; F82-W137 HydrophobicContact CE2-CZ3 3.83Å; F82-W137 HydrophobicContact CZ-CD2 4.43Å; F82-W137 HydrophobicContact CZ-CE3 4.14Å; F82-W137 HydrophobicContact CZ-CZ3 4.42Å; F82-F139 HydrophobicContact CB-CE1 3.78Å; F82-F139 HydrophobicContact CB-CZ 3.71Å; F82-F139 HydrophobicContact CD1-CE2 4.48Å; F82-F139 AromaticContact CD1-CZ 3.84Å; F82-F139 HydrophobicContact CD1-CZ 3.84Å; F82-F139 HydrophobicContact CD2-CZ 4.04Å; F82-F139 HydrophobicContact CG-CE1 4.17Å; F82-F139 AromaticContact CG-CZ 3.59Å; F82-F139 HydrophobicContact CG-CZ 3.59Å
83	K	88.9	Confident	88.5	Confident	29 Å²	29	28.4 Å²	28.4	13%	0.126	15%	0.152	C	C	.	.	H	α-helix	trans	-47.4	-40.1	175.3	-170	172.9	176	177.4	0	113.8	D69 M79 N80 I85 F86 L87 M212	D69-K83 IonicContact OD1-NZ 2.72Å; D69-K83 VanDerWaalsContact OD2-CD 3.31Å; D69-K83 WeakPolarHBondContact OD2-CD 3.42Å; D69-K83 IonicContact OD2-NZ 3.87Å; D69-K83 PolarHBondContact OD2-NZ 3.5Å; M79-K83 PolarHBondContact O-N 2.8Å; N80-K83 WeakPolarHBondContact O-CB 3.3Å; N80-K83 PolarHBondContact O-N 2.98Å; K83-I85 VanDerWaalsContact C-N 3.26Å; K83-I85 PolarHBondContact O-N 3.49Å; K83-F86 PolarHBondContact O-N 3.29Å; K83-L87 HydrophobicContact CD-CD1 4.27Å; K83-L87 HydrophobicContact CG-CD1 3.66Å; K83-L87 HydrophobicContact CG-CG 4.13Å; K83-L87 WeakPolarHBondContact O-CB 3.31Å; K83-L87 WeakPolarHBondContact O-CG 3.48Å; K83-L87 PolarHBondContact O-N 3.12Å; K83-M212 HydrophobicContact CD-CE 4.19Å
84	P	88.1	Confident	88.5	Confident	44 Å²	44	25.8 Å²	25.8	29%	0.286	14%	0.139	S	C	.	.	H	α-helix	trans	-61.3	-30.3	175.3	-25.2	36.1	0	0	0	114.7	F82 G88 T89 V90 M96	F82-P84 VanDerWaalsContact O-N 3.14Å; P84-G88 CarbonylContact O-C 3.53Å; P84-G88 PolarHBondContact O-N 3.1Å; P84-G88 VanDerWaalsContact O-N 3.14Å; P84-T89 WeakPolarHBondContact CA-OG1 3.44Å; P84-T89 PolarHBondContact O-N 2.74Å; P84-V90 HydrophobicContact CB-CB 4.08Å; P84-V90 PolarHBondContact O-N 3.46Å; P84-V90 VanDerWaalsContact O-N 3.1Å; P84-M96 HydrophobicContact CB-SD 4.32Å; P84-M96 HydrophobicContact CG-SD 4.41Å
85	I	90.1	Very high	88.3	Confident	24 Å²	24	30.1 Å²	30.1	12%	0.123	16%	0.159	C	C	.	.	H	α-helix	trans	-71.4	-49.8	175.4	-60.3	168.5	0	0	0	109.8	F82 K83 L87 G88 M96 F99 F139	F82-I85 HydrophobicContact CB-CD1 4.35Å; F82-I85 HydrophobicContact CD1-CD1 4.2Å; F82-I85 WeakPolarHBondContact O-CA 3.43Å; F82-I85 WeakPolarHBondContact O-CB 3.38Å; F82-I85 PolarHBondContact O-N 3.31Å; K83-I85 VanDerWaalsContact C-N 3.26Å; K83-I85 PolarHBondContact O-N 3.49Å; I85-L87 PolarHBondContact O-N 2.86Å; I85-G88 PolarHBondContact O-N 2.94Å; I85-M96 HydrophobicContact CD1-CG 3.53Å; I85-M96 HydrophobicContact CD1-SD 4.31Å; I85-M96 HydrophobicContact CG1-CG 3.69Å; I85-M96 HydrophobicContact CG1-SD 4.11Å; I85-F99 HydrophobicContact CD1-CB 4.05Å; I85-F99 HydrophobicContact CD1-CD2 4.12Å; I85-F139 HydrophobicContact CB-CD1 4.14Å; I85-F139 HydrophobicContact CB-CE1 4.3Å; I85-F139 HydrophobicContact CD1-CD1 4.26Å; I85-F139 HydrophobicContact CD1-CD2 3.98Å; I85-F139 HydrophobicContact CD1-CE1 4.02Å; I85-F139 HydrophobicContact CD1-CE2 3.72Å; I85-F139 HydrophobicContact CD1-CG 4.25Å; I85-F139 HydrophobicContact CD1-CZ 3.76Å; I85-F139 HydrophobicContact CG2-CB 3.84Å; I85-F139 HydrophobicContact CG2-CD1 3.53Å; I85-F139 HydrophobicContact CG2-CD2 4.41Å; I85-F139 HydrophobicContact CG2-CE1 4.18Å; I85-F139 HydrophobicContact CG2-CG 3.68Å
86	F	89.1	Confident	88.2	Confident	3 Å²	3	30.7 Å²	30.7	1%	0.013	16%	0.162	C	C	.	.	H	α-helix	trans	-59.5	-32.8	-179.7	-55.9	-52.6	0	0	0	112.7	M79 F82 K83 F139 P217 M246 H263	M79-F86 HydrophobicContact CB-CE2 3.84Å; M79-F86 HydrophobicContact CB-CZ 4.24Å; M79-F86 HydrophobicContact CE-CD2 3.54Å; M79-F86 HydrophobicContact CE-CE2 3.55Å; M79-F86 HydrophobicContact SD-CE2 4.42Å; F82-F86 HydrophobicContact CB-CE2 3.78Å; F82-F86 HydrophobicContact CB-CZ 4.05Å; F82-F86 WeakPolarHBondContact O-CD2 3.23Å; F82-F86 PolarHBondContact O-N 2.87Å; K83-F86 PolarHBondContact O-N 3.29Å; F86-F139 HydrophobicContact CD1-CD1 4.19Å; F86-F139 HydrophobicContact CD1-CE1 4.24Å; F86-F139 AromaticContact CE1-CD1 3.69Å; F86-F139 HydrophobicContact CE1-CD1 3.69Å; F86-F139 AromaticContact CE1-CE1 3.47Å; F86-F139 HydrophobicContact CE1-CE1 3.47Å; F86-F139 VanDerWaalsContact CE1-CE1 3.47Å; F86-F139 HydrophobicContact CZ-CD1 4.33Å; F86-F139 AromaticContact CZ-CE1 3.63Å; F86-F139 HydrophobicContact CZ-CE1 3.63Å; F86-P217 HydrophobicContact CB-CB 4.12Å; F86-P217 HydrophobicContact CB-CG 3.64Å; F86-P217 HydrophobicContact CD2-CG 4.41Å; F86-P217 HydrophobicContact CG-CG 4.34Å; F86-M246 HydrophobicContact CD1-SD 3.98Å; F86-M246 HydrophobicContact CD2-SD 4.17Å; F86-M246 HydrophobicContact CE1-SD 3.8Å; F86-M246 HydrophobicContact CE2-SD 4.07Å; F86-M246 HydrophobicContact CG-SD 4.17Å; F86-M246 HydrophobicContact CZ-SD 3.85Å; F86-H263 HydrophobicContact CD1-CB 3.76Å; F86-H263 AromaticContact CD1-CD2 3.85Å; F86-H263 AromaticContact CD1-CG 3.55Å; F86-H263 AromaticContact CD1-ND1 3.8Å; F86-H263 HydrophobicContact CE1-CB 3.63Å; F86-H263 AromaticContact CE1-CG 3.9Å
87	L	86.1	Confident	88.1	Confident	30 Å²	30	31.5 Å²	31.5	16%	0.157	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-1.8	-179.8	-60.6	-179.3	0	0	0	113.6	K83 I85 T89 P217 V496	K83-L87 HydrophobicContact CD-CD1 4.27Å; K83-L87 HydrophobicContact CG-CD1 3.66Å; K83-L87 HydrophobicContact CG-CG 4.13Å; K83-L87 WeakPolarHBondContact O-CB 3.31Å; K83-L87 WeakPolarHBondContact O-CG 3.48Å; K83-L87 PolarHBondContact O-N 3.12Å; I85-L87 PolarHBondContact O-N 2.86Å; L87-T89 HydrophobicContact CB-CG2 4.14Å; L87-T89 PolarHBondContact O-N 3.45Å; L87-P217 HydrophobicContact CD2-CG 3.8Å; L87-P217 HydrophobicContact CG-CG 4.3Å; L87-V496 HydrophobicContact CB-CG2 3.95Å; L87-V496 HydrophobicContact CD2-CG2 3.45Å; L87-V496 VanDerWaalsContact CD2-CG2 3.45Å; L87-V496 HydrophobicContact CG-CG2 4.28Å
88	G	85.9	Confident	87.9	Confident	16 Å²	16	33.9 Å²	33.9	17%	0.165	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	19	-175.9	0	0	0	0	0	114.5	P84 I85	P84-G88 CarbonylContact O-C 3.53Å; P84-G88 PolarHBondContact O-N 3.1Å; P84-G88 VanDerWaalsContact O-N 3.14Å; I85-G88 PolarHBondContact O-N 2.94Å
89	T	85.3	Confident	88	Confident	47 Å²	47	34.8 Å²	34.8	29%	0.288	20%	0.199	S	C	.	.			trans	-98.6	0.5	-176.9	57.4	0	0	0	0	114.2	P84 L87 L499	P84-T89 WeakPolarHBondContact CA-OG1 3.44Å; P84-T89 PolarHBondContact O-N 2.74Å; L87-T89 HydrophobicContact CB-CG2 4.14Å; L87-T89 PolarHBondContact O-N 3.45Å; T89-L499 HydrophobicContact CG2-CD1 3.76Å
90	V	86.4	Confident	88.2	Confident	25 Å²	25	41.5 Å²	41.5	15%	0.152	23%	0.225	C	C	.	.	S	Bend	trans	-57.7	140.2	176.6	64.6	0	0	0	0	111.9	P84 P92 S94 M96 A97	P84-V90 HydrophobicContact CB-CB 4.08Å; P84-V90 PolarHBondContact O-N 3.46Å; P84-V90 VanDerWaalsContact O-N 3.1Å; V90-P92 WeakPolarHBondContact O-CD 3.24Å; V90-S94 WeakPolarHBondContact CG2-OG 3.4Å; V90-M96 HydrophobicContact CG2-CB 3.87Å; V90-M96 HydrophobicContact CG2-CG 3.83Å; V90-M96 HydrophobicContact CG2-SD 4.01Å; V90-A97 HydrophobicContact CG1-CB 4.31Å; V90-A97 HydrophobicContact CG2-CB 4.2Å
91	D	82.9	Confident	88.4	Confident	54 Å²	54	43 Å²	43	29%	0.289	23%	0.229	S	C	.	.			trans	-65.5	121.9	171.6	-174.7	-41.6	0	0	0	108.4	R93 S94	D91-R93 PolarHBondContact O-N 2.9Å; D91-R93 WeakPolarHBondContact OD1-CB 3.33Å; D91-R93 PolarHBondContact OD1-N 2.95Å; D91-R93 IonicContact OD1-NE 3.05Å; D91-R93 PolarHBondContact OD1-NE 3.39Å; D91-R93 IonicContact OD1-NH2 3.94Å; D91-R93 IonicContact OD2-CZ 2.82Å; D91-R93 IonicContact OD2-NE 3.84Å; D91-R93 IonicContact OD2-NH2 2.56Å; D91-R93 PolarHBondContact OD2-NH2 3.08Å; D91-R93 VanDerWaalsContact OD2-NH2 3.07Å; D91-S94 WeakPolarHBondContact O-CB 3.29Å; D91-S94 PolarHBondContact O-N 3.34Å; D91-S94 PolarHBondContact O-OG 3.09Å
92	P	84.9	Confident	88.8	Confident	64 Å²	64	41.5 Å²	41.5	42%	0.416	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.4	-178.1	-26	34.9	0	0	0	115.1	V90 P509	V90-P92 WeakPolarHBondContact O-CD 3.24Å; P92-P509 HydrophobicContact CG-CB 4.47Å; P92-P509 HydrophobicContact CG-CG 4.18Å
93	R	84.1	Confident	89.1	Confident	122 Å²	122	41.4 Å²	41.4	46%	0.46	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-3.5	179.7	-58.3	168.9	-63.6	163.3	7.4	113	D91 P718 D719	D91-R93 PolarHBondContact O-N 2.9Å; D91-R93 WeakPolarHBondContact OD1-CB 3.33Å; D91-R93 PolarHBondContact OD1-N 2.95Å; D91-R93 IonicContact OD1-NE 3.05Å; D91-R93 PolarHBondContact OD1-NE 3.39Å; D91-R93 IonicContact OD1-NH2 3.94Å; D91-R93 IonicContact OD2-CZ 2.82Å; D91-R93 IonicContact OD2-NE 3.84Å; D91-R93 IonicContact OD2-NH2 2.56Å; D91-R93 PolarHBondContact OD2-NH2 3.08Å; D91-R93 VanDerWaalsContact OD2-NH2 3.07Å; R93-P718 HydrophobicContact CB-CB 3.76Å; R93-D719 PolarHBondContact O-N 3.36Å
94	S	85.8	Confident	89.5	Confident	7 Å²	7	40.1 Å²	40.1	5%	0.049	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-79.5	151.9	175.4	70.2	0	0	0	0	111.4	V90 D91 M96 A97	V90-S94 WeakPolarHBondContact CG2-OG 3.4Å; D91-S94 WeakPolarHBondContact O-CB 3.29Å; D91-S94 PolarHBondContact O-N 3.34Å; D91-S94 PolarHBondContact O-OG 3.09Å; S94-M96 PolarHBondContact O-N 3.36Å; S94-M96 VanDerWaalsContact O-N 3.13Å; S94-A97 WeakPolarHBondContact O-CB 3.47Å; S94-A97 PolarHBondContact O-N 3.31Å; S94-A97 VanDerWaalsContact O-N 3.08Å
95	E	86.5	Confident	89.9	Confident	97 Å²	97	38.6 Å²	38.6	45%	0.453	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-53.1	-34.8	173.1	-169.8	-166	141.2	0	0	111.9	R57 A97 G98 F99	R57-E95 IonicContact CZ-OE1 3.32Å; R57-E95 IonicContact NE-OE1 2.89Å; R57-E95 PolarHBondContact NE-OE1 2.92Å; R57-E95 IonicContact NH1-OE1 2.7Å; R57-E95 IonicContact NH2-OE1 3.29Å; R57-E95 PolarHBondContact NH2-OE1 3.29Å; R57-E95 IonicContact NH2-OE2 3.93Å; E95-A97 VanDerWaalsContact C-N 3.27Å; E95-A97 PolarHBondContact O-N 2.91Å; E95-G98 PolarHBondContact O-N 3.05Å; E95-F99 HydrophobicContact CG-CE1 3.82Å; E95-F99 HydrophobicContact CG-CZ 4.29Å; E95-F99 WeakPolarHBondContact O-CD1 3.26Å; E95-F99 WeakPolarHBondContact OE1-CE1 3.35Å
96	M	89.3	Confident	90.2	Very high	18 Å²	18	37.4 Å²	37.4	9%	0.089	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-60.4	-32.2	-179.4	-174.8	-178.6	-72.3	0	0	113.1	Q81 P84 I85 V90 S94 G98 F99 V716	Q81-M96 VanDerWaalsContact O-CE 3.28Å; Q81-M96 WeakPolarHBondContact O-CE 3.26Å; P84-M96 HydrophobicContact CB-SD 4.32Å; P84-M96 HydrophobicContact CG-SD 4.41Å; I85-M96 HydrophobicContact CD1-CG 3.53Å; I85-M96 HydrophobicContact CD1-SD 4.31Å; I85-M96 HydrophobicContact CG1-CG 3.69Å; I85-M96 HydrophobicContact CG1-SD 4.11Å; V90-M96 HydrophobicContact CG2-CB 3.87Å; V90-M96 HydrophobicContact CG2-CG 3.83Å; V90-M96 HydrophobicContact CG2-SD 4.01Å; S94-M96 PolarHBondContact O-N 3.36Å; S94-M96 VanDerWaalsContact O-N 3.13Å; M96-G98 PolarHBondContact O-N 3.19Å; M96-F99 HydrophobicContact CB-CD2 4.19Å; M96-F99 HydrophobicContact CB-CE2 4.05Å; M96-F99 HydrophobicContact CG-CD2 3.88Å; M96-F99 HydrophobicContact CG-CE2 4.03Å; M96-F99 WeakPolarHBondContact O-CB 3.08Å; M96-F99 WeakPolarHBondContact O-CG 3.28Å; M96-F99 PolarHBondContact O-N 3.13Å; M96-F99 VanDerWaalsContact O-N 3.09Å; M96-V716 HydrophobicContact CE-CG2 3.98Å
97	A	87.9	Confident	90.5	Very high	31 Å²	31	37.4 Å²	37.4	26%	0.256	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-64.8	-24.6	176.7	0	0	0	0	0	112.8	V90 S94 E95 R100	V90-A97 HydrophobicContact CG1-CB 4.31Å; V90-A97 HydrophobicContact CG2-CB 4.2Å; S94-A97 WeakPolarHBondContact O-CB 3.47Å; S94-A97 PolarHBondContact O-N 3.31Å; S94-A97 VanDerWaalsContact O-N 3.08Å; E95-A97 VanDerWaalsContact C-N 3.27Å; E95-A97 PolarHBondContact O-N 2.91Å; A97-R100 PolarHBondContact O-NH1 2.93Å
98	G	89.8	Confident	91	Very high	53 Å²	53	36 Å²	36	55%	0.546	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-84.5	-4.3	175.6	0	0	0	0	0	114.3	E95 M96 R100	E95-G98 PolarHBondContact O-N 3.05Å; M96-G98 PolarHBondContact O-N 3.19Å; G98-R100 PolarHBondContact O-N 2.85Å
99	F	94.1	Very high	91.4	Very high	19 Å²	19	35.3 Å²	35.3	8%	0.083	19%	0.186	C	C	.	.			trans	-67.7	133.1	-180	-65.9	-10.8	0	0	0	110.8	V59 F82 I85 E95 M96 V102 F139	V59-F99 HydrophobicContact CG1-CE1 4.28Å; V59-F99 HydrophobicContact CG1-CE2 4.02Å; V59-F99 HydrophobicContact CG1-CZ 3.79Å; F82-F99 HydrophobicContact CD1-CD2 4.34Å; F82-F99 HydrophobicContact CE1-CD2 4.12Å; F82-F99 HydrophobicContact CE1-CE2 4.17Å; I85-F99 HydrophobicContact CD1-CB 4.05Å; I85-F99 HydrophobicContact CD1-CD2 4.12Å; E95-F99 HydrophobicContact CG-CE1 3.82Å; E95-F99 HydrophobicContact CG-CZ 4.29Å; E95-F99 WeakPolarHBondContact O-CD1 3.26Å; E95-F99 WeakPolarHBondContact OE1-CE1 3.35Å; M96-F99 HydrophobicContact CB-CD2 4.19Å; M96-F99 HydrophobicContact CB-CE2 4.05Å; M96-F99 HydrophobicContact CG-CD2 3.88Å; M96-F99 HydrophobicContact CG-CE2 4.03Å; M96-F99 WeakPolarHBondContact O-CB 3.08Å; M96-F99 WeakPolarHBondContact O-CG 3.28Å; M96-F99 PolarHBondContact O-N 3.13Å; M96-F99 VanDerWaalsContact O-N 3.09Å; F99-V102 HydrophobicContact CB-CG1 3.85Å; F99-V102 HydrophobicContact CD1-CG1 4.15Å; F99-V102 HydrophobicContact CD2-CG1 3.99Å; F99-V102 HydrophobicContact CG-CG1 3.74Å; F99-F139 HydrophobicContact CB-CD2 3.96Å; F99-F139 HydrophobicContact CB-CE2 3.87Å
100	R	94.2	Very high	91.7	Very high	140 Å²	140	35.8 Å²	35.8	53%	0.528	18%	0.182	S	C	.	.	S	Bend	trans	-123.1	-57.5	177.7	-65.7	-67.7	-176.9	-96.9	1.3	110.1	A97 G98 A138 F139 E142	A97-R100 PolarHBondContact O-NH1 2.93Å; G98-R100 PolarHBondContact O-N 2.85Å; R100-A138 CarbonylContact O-C 3.53Å; R100-A138 WeakPolarHBondContact O-CA 3.36Å; R100-F139 PolarHBondContact O-N 3.26Å; R100-E142 HydrophobicContact CB-CG 4.32Å
101	R	96.5	Very high	91.4	Very high	47 Å²	47	34.6 Å²	34.6	18%	0.177	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.2	172.8	-50.1	179.9	-174.8	-137.1	-13	109	H56 R57 W137 E142 Y143 E147	H56-R101 HydrophobicContact CB-CB 4.4Å; R57-R101 PolarHBondContact N-O 2.78Å; R101-W137 CarbonylContact C-O 3.52Å; R101-W137 VanDerWaalsContact CA-O 3.29Å; R101-W137 WeakPolarHBondContact CA-O 3.43Å; R101-E142 HydrophobicContact CG-CG 3.45Å; R101-E142 VanDerWaalsContact CG-CG 3.45Å; R101-E142 IonicContact CZ-OE1 3.71Å; R101-E142 VanDerWaalsContact CZ-OE1 3.28Å; R101-E142 IonicContact NE-OE1 3.42Å; R101-E142 PolarHBondContact NE-OE1 3.36Å; R101-E142 PolarHBondContact NH2-O 3.01Å; R101-E142 VanDerWaalsContact NH2-O 3.12Å; R101-E142 IonicContact NH2-OE1 2.78Å; R101-E142 PolarHBondContact NH2-OE1 3.47Å; R101-Y143 HydrophobicContact CG-CD1 4.24Å; R101-Y143 HydrophobicContact CG-CE1 4.06Å; R101-E147 IonicContact CZ-OE1 2.97Å; R101-E147 IonicContact NH1-OE1 3.83Å; R101-E147 PolarHBondContact NH1-OE1 3.35Å; R101-E147 IonicContact NH1-OE2 3.77Å; R101-E147 IonicContact NH2-OE1 3.39Å; R101-E147 IonicContact NH2-OE2 2.68Å
102	V	97.6	Very high	90.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152	-179.9	-59.9	0	0	0	0	111.6	H56 R57 V59 F82 F99 N136 W137 F139	H56-V102 PolarHBondContact CD2-O 3.07Å; R57-V102 HydrophobicContact CB-CG1 4.28Å; R57-V102 CarbonylContact O-C 3.52Å; R57-V102 WeakPolarHBondContact O-CA 3.47Å; V59-V102 HydrophobicContact CG1-CB 4.14Å; V59-V102 HydrophobicContact CG1-CG1 3.97Å; V59-V102 HydrophobicContact CG2-CB 4.12Å; V59-V102 HydrophobicContact CG2-CG2 4.45Å; F82-V102 HydrophobicContact CE1-CG2 3.93Å; F82-V102 HydrophobicContact CE2-CG2 4.09Å; F82-V102 HydrophobicContact CZ-CG2 3.67Å; F99-V102 HydrophobicContact CB-CG1 3.85Å; F99-V102 HydrophobicContact CD1-CG1 4.15Å; F99-V102 HydrophobicContact CD2-CG1 3.99Å; F99-V102 HydrophobicContact CG-CG1 3.74Å; V102-N136 CarbonylContact O-C 3.56Å; V102-N136 VanDerWaalsContact O-CA 3.3Å; V102-N136 WeakPolarHBondContact O-CA 3.33Å; V102-W137 HydrophobicContact CG2-CB 3.81Å; V102-W137 HydrophobicContact CG2-CD2 4.38Å; V102-W137 HydrophobicContact CG2-CE3 3.92Å; V102-W137 HydrophobicContact CG2-CG 4.38Å; V102-W137 PolarHBondContact N-O 2.95Å; V102-W137 PolarHBondContact O-N 2.74Å; V102-F139 HydrophobicContact CG1-CE2 4.39Å; V102-F139 HydrophobicContact CG2-CE2 3.61Å; V102-F139 HydrophobicContact CG2-CZ 3.94Å
103	A	97.9	Very high	89.9	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.8	175.4	0	0	0	0	0	111.3	F46 F50 H56 R57 L58 V59 G135 N136	F46-A103 HydrophobicContact CE1-CB 4.44Å; F50-A103 HydrophobicContact CB-CB 3.88Å; F50-A103 HydrophobicContact CG-CB 4.3Å; H56-A103 HydrophobicContact CB-CB 4.13Å; R57-A103 PolarHBondContact O-N 2.99Å; L58-A103 WeakPolarHBondContact CA-O 3.32Å; L58-A103 HydrophobicContact CD2-CB 4.17Å; V59-A103 PolarHBondContact N-O 3.19Å; V59-A103 VanDerWaalsContact N-O 3.14Å; A103-G135 VanDerWaalsContact CA-O 3.25Å; A103-G135 WeakPolarHBondContact CA-O 3.34Å; A103-N136 HydrophobicContact CB-CB 4.2Å
104	N	96.6	Very high	88.9	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.011	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	178.3	175.7	87.9	-12.1	0	0	0	113.3	V59 P60 Q81 Q106 G135 W137	V59-N104 HydrophobicContact CG2-CB 3.93Å; V59-N104 WeakPolarHBondContact O-CB 3.31Å; P60-N104 PolarHBondContact O-ND2 3.14Å; Q81-N104 PolarHBondContact NE2-ND2 3.39Å; N104-Q106 PolarHBondContact ND2-OE1 3.04Å; N104-Q106 PolarHBondContact OD1-N 3.12Å; N104-G135 PolarHBondContact N-O 3.18Å; N104-G135 PolarHBondContact O-N 2.98Å; N104-W137 HydrophobicContact CB-CZ3 4.32Å; N104-W137 WeakPolarHBondContact OD1-CH2 3.18Å; N104-W137 WeakPolarHBondContact OD1-CZ3 3.44Å
105	S	96.4	Very high	88	Confident	11 Å²	11	35.7 Å²	35.7	8%	0.077	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	99.5	164.6	-173.9	0	0	0	0	106.9	S61 E132 Y387	S61-S105 WeakPolarHBondContact CB-O 3.27Å; S105-E132 PolarHBondContact OG-OE2 3.1Å; S105-E132 VanDerWaalsContact OG-OE2 3.09Å; S105-Y387 PolarHBondContact O-OH 2.98Å
106	Q	96.1	Very high	87.6	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	133.4	-174.3	178.8	60.1	43	0	0	111.6	S61 A62 V75 N104 C108 E132 M133	S61-Q106 PolarHBondContact OG-NE2 3.22Å; S61-Q106 VanDerWaalsContact OG-NE2 3.17Å; S61-Q106 PolarHBondContact OG-OE1 3.43Å; A62-Q106 PolarHBondContact O-NE2 2.95Å; V75-Q106 HydrophobicContact CG1-CG 4.12Å; N104-Q106 PolarHBondContact ND2-OE1 3.04Å; N104-Q106 PolarHBondContact OD1-N 3.12Å; Q106-C108 PolarHBondContact O-N 3.34Å; Q106-E132 WeakPolarHBondContact O-CA 3.47Å; Q106-M133 PolarHBondContact N-O 3.12Å; Q106-M133 PolarHBondContact O-N 3.02Å
107	K	96.4	Very high	87.3	Confident	3 Å²	3	34.7 Å²	34.7	1%	0.013	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	118.8	164.9	-66.9	178.5	-71.7	-178.9	0	110.3	S61 A62 V64 F130 V333 D337 Y387 E389	S61-K107 WeakPolarHBondContact OG-CE 3.46Å; S61-K107 PolarHBondContact OG-N 3.32Å; A62-K107 WeakPolarHBondContact O-CE 3.47Å; V64-K107 HydrophobicContact CG1-CB 3.67Å; K107-F130 HydrophobicContact CB-CE2 3.84Å; K107-F130 HydrophobicContact CG-CE2 3.97Å; K107-F130 HydrophobicContact CG-CZ 4.29Å; K107-V333 HydrophobicContact CD-CG1 3.77Å; K107-V333 HydrophobicContact CG-CG1 4.41Å; K107-D337 WeakPolarHBondContact CE-OD2 3.43Å; K107-D337 IonicContact NZ-OD1 3.7Å; K107-D337 PolarHBondContact NZ-OD1 2.74Å; K107-D337 IonicContact NZ-OD2 3.73Å; K107-D337 PolarHBondContact NZ-OD2 3.21Å; K107-Y387 HydrophobicContact CD-CD1 3.6Å; K107-Y387 HydrophobicContact CD-CD2 4.46Å; K107-Y387 HydrophobicContact CD-CE1 3.7Å; K107-Y387 HydrophobicContact CD-CG 4.02Å; K107-Y387 HydrophobicContact CG-CD1 3.85Å; K107-Y387 HydrophobicContact CG-CE1 3.37Å; K107-Y387 HydrophobicContact CG-CE2 4.12Å; K107-Y387 HydrophobicContact CG-CG 4.41Å; K107-E389 IonicContact NZ-OE1 2.68Å; K107-E389 PolarHBondContact NZ-OE1 3.34Å
108	C	95.7	Very high	87.1	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137.4	178.7	-68.9	0	0	0	0	110.9	V75 Q106 F130 F131	V75-C108 WeakPolarHBondContact O-CA 3.42Å; Q106-C108 PolarHBondContact O-N 3.34Å; C108-F130 WeakPolarHBondContact O-CA 3.11Å; C108-F130 WeakPolarHBondContact O-CD2 3.35Å; C108-F131 HydrophobicContact CB-CD1 4.28Å; C108-F131 HydrophobicContact CB-CD2 4.39Å; C108-F131 HydrophobicContact CB-CE1 3.82Å; C108-F131 HydrophobicContact CB-CE2 3.97Å; C108-F131 HydrophobicContact CB-CZ 3.65Å; C108-F131 PolarHBondContact N-O 3.06Å; C108-F131 PolarHBondContact O-N 2.96Å; C108-F131 VanDerWaalsContact O-N 3.1Å
109	V	95.3	Very high	86.5	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.2	173.9	176.3	0	0	0	0	109.9	V64 F74 V75 A111 T129 F130 T330	V64-V109 HydrophobicContact CB-CG2 4.1Å; V64-V109 HydrophobicContact CG1-CG2 3.87Å; F74-V109 HydrophobicContact CB-CB 3.84Å; F74-V109 HydrophobicContact CB-CG1 4.18Å; F74-V109 HydrophobicContact CD1-CB 4.32Å; F74-V109 HydrophobicContact CD1-CG1 4.25Å; F74-V109 HydrophobicContact CD2-CG1 4.01Å; F74-V109 HydrophobicContact CE2-CG1 4.48Å; F74-V109 HydrophobicContact CG-CB 4.02Å; F74-V109 HydrophobicContact CG-CG1 3.89Å; V75-V109 PolarHBondContact O-N 2.99Å; V109-A111 HydrophobicContact CG1-CB 4.13Å; V109-T129 CarbonylContact C-O 3.56Å; V109-T129 VanDerWaalsContact CA-O 3.24Å; V109-T129 WeakPolarHBondContact CA-O 3.4Å; V109-F130 HydrophobicContact CG2-CD2 4.24Å; V109-T330 HydrophobicContact CG1-CG2 4.21Å; V109-T330 HydrophobicContact CG2-CG2 4.38Å
110	R	91.6	Very high	86	Confident	56 Å²	56	38 Å²	38	21%	0.211	19%	0.193	C	C	.	.			trans	-113.1	78.3	175.3	-74.3	-177.8	-175.8	-176.5	0.9	109.9	N76 H115 D117 T129 F131	N76-R110 HydrophobicContact CB-CG 4.44Å; R110-H115 HydrophobicContact CG-CB 4.25Å; R110-D117 HydrophobicContact CB-CB 4.42Å; R110-D117 VanDerWaalsContact CD-OD2 3.23Å; R110-D117 WeakPolarHBondContact CD-OD2 3.39Å; R110-D117 PolarHBondContact O-N 3.5Å; R110-T129 PolarHBondContact N-O 3.16Å; R110-F131 HydrophobicContact CB-CE1 4.47Å; R110-F131 HydrophobicContact CG-CE1 3.84Å; R110-F131 HydrophobicContact CG-CZ 4.49Å
111	A	80.9	Confident	85.7	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.008	17%	0.168	C	C	.	.	S	Bend	trans	-141.5	103.8	175.7	0	0	0	0	0	109.2	V109 V349 I353	V109-A111 HydrophobicContact CG1-CB 4.13Å; A111-V349 HydrophobicContact CB-CG1 3.59Å; A111-V349 WeakPolarHBondContact O-CG1 3.08Å; A111-I353 HydrophobicContact CB-CD1 3.81Å
112	G	69.2	Low	85.1	Confident	27 Å²	27	29.1 Å²	29.1	28%	0.278	16%	0.159	S	C	.	.	S	Bend	trans	84.5	163	-173.5	0	0	0	0	0	114.8	N116	G112-N116 PolarHBondContact N-OD1 3.21Å
113	G	65.4	Low	84.5	Confident	63 Å²	63	36 Å²	36	65%	0.649	19%	0.185	S	C	*	.	S	Bend	trans	84.7	-156.5	-173	0	0	0	0	0	112.8
114	R	63.8	Low	84.1	Confident	132 Å²	132	38 Å²	38	50%	0.498	20%	0.196	S	C	.	.	S	Bend	trans	-68.2	-38	178.7	-175.1	175.2	179.9	175.6	-1.9	112.3	E211 G213	R114-E211 IonicContact CZ-OE2 3.14Å; R114-E211 VanDerWaalsContact CZ-OE2 3.28Å; R114-E211 IonicContact NH1-OE2 3.05Å; R114-E211 PolarHBondContact NH1-OE2 2.7Å; R114-E211 IonicContact NH2-OE2 3.42Å; R114-E211 PolarHBondContact NH2-OE2 2.89Å; R114-G213 PolarHBondContact NH1-O 2.75Å
115	H	66.3	Low	83.8	Confident	47 Å²	47	40 Å²	40	22%	0.218	21%	0.206	C	C	.	.	S	Bend	trans	-104.9	101.1	179.6	-62.6	-64.1	0	0	0	109.1	R110 E211	R110-H115 HydrophobicContact CG-CB 4.25Å; H115-E211 PolarHBondContact NE2-O 3.35Å
116	N	78.5	Confident	83.3	Confident	70 Å²	70	41.2 Å²	41.2	37%	0.374	22%	0.215	S	C	.	.			trans	-137.3	100.9	-171.3	178.1	33.7	0	0	0	112	G112 L118	G112-N116 PolarHBondContact N-OD1 3.21Å; N116-L118 WeakPolarHBondContact OD1-CB 3.37Å; N116-L118 PolarHBondContact OD1-N 2.98Å
117	D	83.8	Confident	83.1	Confident	24 Å²	24	43.6 Å²	43.6	13%	0.128	23%	0.226	C	C	.	.			trans	-98.5	5.9	-175.9	-56.2	-20	0	0	0	111.7	R110 E119 D120 V121 H127	R110-D117 HydrophobicContact CB-CB 4.42Å; R110-D117 VanDerWaalsContact CD-OD2 3.23Å; R110-D117 WeakPolarHBondContact CD-OD2 3.39Å; R110-D117 PolarHBondContact O-N 3.5Å; D117-E119 VanDerWaalsContact C-N 3.27Å; D117-E119 PolarHBondContact O-N 3.44Å; D117-D120 PolarHBondContact O-N 2.93Å; D117-D120 VanDerWaalsContact O-N 3.08Å; D117-V121 WeakPolarHBondContact O-CG2 3.42Å; D117-V121 PolarHBondContact O-N 3.41Å; D117-V121 VanDerWaalsContact O-N 3.14Å; D117-H127 HydrophobicContact CB-CB 4.45Å
118	L	82.8	Confident	83	Confident	17 Å²	17	43.8 Å²	43.8	9%	0.089	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-43.3	-172.3	-178.9	60.8	0	0	0	111.8	N116 T129 I353 R356	N116-L118 WeakPolarHBondContact OD1-CB 3.37Å; N116-L118 PolarHBondContact OD1-N 2.98Å; L118-T129 HydrophobicContact CD1-CG2 3.66Å; L118-I353 HydrophobicContact CD1-CG1 3.87Å; L118-R356 PolarHBondContact O-NH1 3.31Å; L118-R356 PolarHBondContact O-NH2 2.85Å
119	E	76.8	Confident	83	Confident	92 Å²	92	43.8 Å²	43.8	43%	0.43	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-28.2	-178.3	-67.2	-52.8	132.9	0	0	113.9	D117 R123 R356	D117-E119 VanDerWaalsContact C-N 3.27Å; D117-E119 PolarHBondContact O-N 3.44Å; E119-R123 VanDerWaalsContact O-CD 3.3Å; E119-R123 WeakPolarHBondContact O-CD 3.44Å; E119-R123 PolarHBondContact O-NE 2.96Å; E119-R123 VanDerWaalsContact O-NE 3.16Å; E119-R123 IonicContact OE2-NH2 2.59Å; E119-R356 IonicContact OE1-NH1 3.58Å; E119-R356 PolarHBondContact OE1-NH1 3.03Å; E119-R356 IonicContact OE2-NH1 3.94Å
120	D	84.4	Confident	83	Confident	65 Å²	65	43.7 Å²	43.7	35%	0.348	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-29.8	-178.6	-57.7	-51.6	0	0	0	112.2	D117 G122 R123 H127	D117-D120 PolarHBondContact O-N 2.93Å; D117-D120 VanDerWaalsContact O-N 3.08Å; D120-G122 PolarHBondContact O-N 2.85Å; D120-G122 VanDerWaalsContact O-N 3.13Å; D120-R123 WeakPolarHBondContact O-CB 3.47Å; D120-R123 PolarHBondContact O-N 3.42Å; D120-H127 HydrophobicContact CB-CB 4.04Å
121	V	87.3	Confident	83.2	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	120.6	178.5	169.5	0	0	0	0	112	D117 R123 H127 T129 V323 D326 R356	D117-V121 WeakPolarHBondContact O-CG2 3.42Å; D117-V121 PolarHBondContact O-N 3.41Å; D117-V121 VanDerWaalsContact O-N 3.14Å; V121-R123 VanDerWaalsContact C-N 3.33Å; V121-H127 HydrophobicContact CG2-CB 4.48Å; V121-T129 HydrophobicContact CB-CG2 4.49Å; V121-T129 HydrophobicContact CG2-CG2 3.88Å; V121-V323 WeakPolarHBondContact O-CG2 3.5Å; V121-D326 HydrophobicContact CG1-CB 3.87Å; V121-D326 WeakPolarHBondContact CG1-OD2 3.35Å; V121-R356 PolarHBondContact O-NH2 2.73Å
122	G	83.4	Confident	84	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-16.4	-177.8	0	0	0	0	0	115.1	D120 T319 R322	D120-G122 PolarHBondContact O-N 2.85Å; D120-G122 VanDerWaalsContact O-N 3.13Å; G122-T319 WeakPolarHBondContact O-CG2 3.34Å; G122-T319 PolarHBondContact O-OG1 2.88Å; G122-R322 PolarHBondContact O-NE 3.39Å; G122-R322 PolarHBondContact O-NH2 3.16Å
123	R	86	Confident	85.3	Confident	145 Å²	145	41.4 Å²	41.4	55%	0.547	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-31.1	174.6	-61.5	-173.4	-178	-170.8	2.9	112.1	E119 D120 V121	E119-R123 VanDerWaalsContact O-CD 3.3Å; E119-R123 WeakPolarHBondContact O-CD 3.44Å; E119-R123 PolarHBondContact O-NE 2.96Å; E119-R123 VanDerWaalsContact O-NE 3.16Å; E119-R123 IonicContact OE2-NH2 2.59Å; D120-R123 WeakPolarHBondContact O-CB 3.47Å; D120-R123 PolarHBondContact O-N 3.42Å; V121-R123 VanDerWaalsContact C-N 3.33Å
124	D	88.4	Confident	86.9	Confident	41 Å²	41	38.4 Å²	38.4	22%	0.219	18%	0.179	C	C	.	.	S	Bend	trans	-119.4	-168.6	171	66	61	0	0	0	112.6	S126 H127 R322	D124-S126 PolarHBondContact OD1-N 2.76Å; D124-S126 PolarHBondContact OD1-OG 2.92Å; D124-H127 IonicContact OD1-CG 3.56Å; D124-H127 PolarHBondContact OD1-N 2.88Å; D124-H127 IonicContact OD1-ND1 3.84Å; D124-H127 PolarHBondContact OD1-ND1 3.22Å; D124-H127 IonicContact OD2-CE1 3.84Å; D124-H127 IonicContact OD2-CG 3.05Å; D124-H127 IonicContact OD2-ND1 2.58Å; D124-H127 PolarHBondContact OD2-ND1 2.96Å; D124-R322 WeakPolarHBondContact O-CD 3.4Å; D124-R322 PolarHBondContact O-NE 3.49Å
125	L	90.4	Very high	88.5	Confident	44 Å²	44	32.1 Å²	32.1	23%	0.23	16%	0.155	C	C	.	.	S	Bend	trans	-109.2	8.8	-170.3	-60.3	179.2	0	0	0	113.4	T283 V309	L125-T283 PolarHBondContact O-N 3.29Å; L125-T283 PolarHBondContact O-OG1 3.46Å; L125-V309 HydrophobicContact CD1-CG1 4.49Å; L125-V309 HydrophobicContact CD2-CG1 3.52Å; L125-V309 HydrophobicContact CG-CG1 3.84Å
126	S	87.3	Confident	90	Very high	36 Å²	36	30 Å²	30	25%	0.252	15%	0.146	S	C	.	.	S	Bend	trans	-143.9	-18.6	-168.2	62.8	0	0	0	0	116.6	D124 H128	D124-S126 PolarHBondContact OD1-N 2.76Å; D124-S126 PolarHBondContact OD1-OG 2.92Å; S126-H128 PolarHBondContact O-CD2 3.42Å
127	H	91.5	Very high	90.9	Very high	50 Å²	50	26.7 Å²	26.7	23%	0.231	13%	0.128	C	C	.	.			trans	-85.2	143.2	178.4	-71.3	95.2	0	0	0	112.2	D117 D120 V121 D124 Y284	D117-H127 HydrophobicContact CB-CB 4.45Å; D120-H127 HydrophobicContact CB-CB 4.04Å; V121-H127 HydrophobicContact CG2-CB 4.48Å; D124-H127 IonicContact OD1-CG 3.56Å; D124-H127 PolarHBondContact OD1-N 2.88Å; D124-H127 IonicContact OD1-ND1 3.84Å; D124-H127 PolarHBondContact OD1-ND1 3.22Å; D124-H127 IonicContact OD2-CE1 3.84Å; D124-H127 IonicContact OD2-CG 3.05Å; D124-H127 IonicContact OD2-ND1 2.58Å; D124-H127 PolarHBondContact OD2-ND1 2.96Å; H127-Y284 PolarHBondContact O-OH 3.4Å
128	H	94.6	Very high	91.5	Very high	8 Å²	8	25.6 Å²	25.6	4%	0.037	12%	0.122	C	C	.	.			trans	-138.1	144.1	-176.8	-62.9	-59.6	0	0	0	110.7	S126 F130 F131 T283 Y284 F289 D326	S126-H128 PolarHBondContact O-CD2 3.42Å; H128-F130 VanDerWaalsContact C-N 3.35Å; H128-F130 WeakPolarHBondContact CB-O 3.29Å; H128-F131 HydrophobicContact CB-CB 4.22Å; H128-T283 PolarHBondContact CE1-OG1 2.91Å; H128-T283 WeakPolarHBondContact NE2-CB 3.41Å; H128-T283 PolarHBondContact NE2-OG1 3.22Å; H128-Y284 AromaticContact CE1-CE1 3.65Å; H128-Y284 AromaticContact CE1-CZ 3.6Å; H128-Y284 AromaticContact ND1-CE1 3.87Å; H128-Y284 AromaticContact ND1-CZ 3.82Å; H128-F289 AromaticContact CE1-CE2 3.47Å; H128-F289 VanDerWaalsContact CE1-CE2 3.47Å; H128-F289 WeakPolarHBondContact CE1-CE2 3.44Å; H128-F289 AromaticContact CE1-CZ 3.21Å; H128-F289 WeakPolarHBondContact CE1-CZ 3.41Å; H128-F289 AromaticContact ND1-CZ 3.42Å; H128-F289 WeakPolarHBondContact ND1-CZ 3.41Å; H128-F289 AromaticContact NE2-CE2 3.87Å; H128-F289 AromaticContact NE2-CZ 3.94Å; H128-D326 WeakPolarHBondContact CA-OD1 3.46Å; H128-D326 VanDerWaalsContact CB-OD1 3.31Å; H128-D326 WeakPolarHBondContact CB-OD1 3.47Å; H128-D326 IonicContact CG-OD1 3.78Å; H128-D326 IonicContact ND1-OD1 3.27Å; H128-D326 PolarHBondContact ND1-OD1 3.25Å
129	T	94.8	Very high	92.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-75.4	-31.4	169.7	57	0	0	0	0	111.2	V109 R110 L118 V121 D326 T330	V109-T129 CarbonylContact C-O 3.56Å; V109-T129 VanDerWaalsContact CA-O 3.24Å; V109-T129 WeakPolarHBondContact CA-O 3.4Å; R110-T129 PolarHBondContact N-O 3.16Å; L118-T129 HydrophobicContact CD1-CG2 3.66Å; V121-T129 HydrophobicContact CB-CG2 4.49Å; V121-T129 HydrophobicContact CG2-CG2 3.88Å; T129-D326 WeakPolarHBondContact CB-OD2 3.21Å; T129-D326 PolarHBondContact N-OD1 3.19Å; T129-D326 PolarHBondContact N-OD2 2.88Å; T129-D326 PolarHBondContact OG1-OD2 2.82Å; T129-T330 WeakPolarHBondContact OG1-CB 3.25Å; T129-T330 PolarHBondContact OG1-OG1 3.47Å
130	F	96.1	Very high	92.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.3	172.8	165.3	-102.8	0	0	0	110.3	K107 C108 V109 H128 E132 R329 T330 V333 L383	K107-F130 HydrophobicContact CB-CE2 3.84Å; K107-F130 HydrophobicContact CG-CE2 3.97Å; K107-F130 HydrophobicContact CG-CZ 4.29Å; C108-F130 WeakPolarHBondContact O-CA 3.11Å; C108-F130 WeakPolarHBondContact O-CD2 3.35Å; V109-F130 HydrophobicContact CG2-CD2 4.24Å; H128-F130 VanDerWaalsContact C-N 3.35Å; H128-F130 WeakPolarHBondContact CB-O 3.29Å; F130-E132 HydrophobicContact CZ-CG 4.18Å; F130-R329 HydrophobicContact CD1-CB 4.03Å; F130-T330 HydrophobicContact CB-CG2 4.14Å; F130-T330 WeakPolarHBondContact CB-OG1 3.46Å; F130-T330 PolarHBondContact N-OG1 3.4Å; F130-V333 HydrophobicContact CD1-CG2 4.29Å; F130-V333 HydrophobicContact CD2-CB 4.34Å; F130-V333 HydrophobicContact CD2-CG1 4.11Å; F130-V333 HydrophobicContact CD2-CG2 4.28Å; F130-V333 HydrophobicContact CE1-CG2 3.9Å; F130-V333 HydrophobicContact CE2-CB 4.27Å; F130-V333 HydrophobicContact CE2-CG1 3.83Å; F130-V333 HydrophobicContact CE2-CG2 3.92Å; F130-V333 HydrophobicContact CG-CG2 4.46Å; F130-V333 HydrophobicContact CZ-CG1 4.42Å; F130-V333 HydrophobicContact CZ-CG2 3.72Å; F130-L383 HydrophobicContact CE1-CD1 3.71Å; F130-L383 HydrophobicContact CZ-CD1 4.37Å
131	F	96.1	Very high	92.5	Very high	21 Å²	21	21.8 Å²	21.8	9%	0.092	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	165.5	174.7	67.1	-83	0	0	0	110.6	C108 R110 H128 M133 E271	C108-F131 HydrophobicContact CB-CD1 4.28Å; C108-F131 HydrophobicContact CB-CD2 4.39Å; C108-F131 HydrophobicContact CB-CE1 3.82Å; C108-F131 HydrophobicContact CB-CE2 3.97Å; C108-F131 HydrophobicContact CB-CZ 3.65Å; C108-F131 PolarHBondContact N-O 3.06Å; C108-F131 PolarHBondContact O-N 2.96Å; C108-F131 VanDerWaalsContact O-N 3.1Å; R110-F131 HydrophobicContact CB-CE1 4.47Å; R110-F131 HydrophobicContact CG-CE1 3.84Å; R110-F131 HydrophobicContact CG-CZ 4.49Å; H128-F131 HydrophobicContact CB-CB 4.22Å; F131-M133 HydrophobicContact CE2-CB 4.05Å; F131-M133 HydrophobicContact CE2-CE 3.69Å; F131-M133 HydrophobicContact CZ-CE 3.84Å; F131-E271 WeakPolarHBondContact CB-OE2 3.29Å
132	E	97.3	Very high	92.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	122.6	175.6	-64	-179.1	-110.1	0	0	110.1	R43 S105 Q106 F130 L270 E271 L383 Y387	R43-E132 IonicContact CZ-OE1 3.34Å; R43-E132 IonicContact CZ-OE2 2.76Å; R43-E132 IonicContact NE-OE1 2.59Å; R43-E132 IonicContact NE-OE2 2.98Å; R43-E132 PolarHBondContact NE-OE2 3.18Å; R43-E132 VanDerWaalsContact NH2-CD 3.27Å; R43-E132 IonicContact NH2-OE1 3.01Å; R43-E132 PolarHBondContact NH2-OE1 3.06Å; R43-E132 IonicContact NH2-OE2 2.7Å; R43-E132 PolarHBondContact NH2-OE2 2.85Å; R43-E132 VanDerWaalsContact NH2-OE2 3.08Å; S105-E132 PolarHBondContact OG-OE2 3.1Å; S105-E132 VanDerWaalsContact OG-OE2 3.09Å; Q106-E132 WeakPolarHBondContact O-CA 3.47Å; F130-E132 HydrophobicContact CZ-CG 4.18Å; E132-L270 HydrophobicContact CB-CB 3.93Å; E132-L270 HydrophobicContact CB-CD2 3.94Å; E132-L270 HydrophobicContact CG-CD2 4.37Å; E132-L270 WeakPolarHBondContact O-CB 3.34Å; E132-L270 PolarHBondContact O-N 2.99Å; E132-L270 WeakPolarHBondContact OE1-CD2 3.18Å; E132-E271 PolarHBondContact N-OE1 3.49Å; E132-E271 PolarHBondContact N-OE2 3.03Å; E132-E271 VanDerWaalsContact N-OE2 3.08Å; E132-L383 WeakPolarHBondContact OE1-CD2 3.17Å; E132-Y387 VanDerWaalsContact CD-OH 3.26Å; E132-Y387 HydrophobicContact CG-CE2 4.25Å; E132-Y387 WeakPolarHBondContact CG-OH 3.46Å; E132-Y387 WeakPolarHBondContact OE2-CE2 3.36Å; E132-Y387 PolarHBondContact OE2-OH 3.44Å
133	M	97.1	Very high	93.2	Very high	14 Å²	14	26 Å²	26	7%	0.069	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	107.2	175	-171.7	176.5	-70.9	0	0	109.2	A77 G78 Q106 F131 G135	A77-M133 HydrophobicContact CB-CE 4.32Å; A77-M133 HydrophobicContact CB-SD 4.28Å; G78-M133 PolarHBondContact N-SD 3.28Å; Q106-M133 PolarHBondContact N-O 3.12Å; Q106-M133 PolarHBondContact O-N 3.02Å; F131-M133 HydrophobicContact CE2-CB 4.05Å; F131-M133 HydrophobicContact CE2-CE 3.69Å; F131-M133 HydrophobicContact CZ-CE 3.84Å; M133-G135 PolarHBondContact O-N 3.3Å
134	L	98.3	Very high	93.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	123.5	167.2	-59.2	175.8	0	0	0	107.9	R43 F46 M268 L270 L273	R43-L134 HydrophobicContact CG-CD2 4.02Å; F46-L134 HydrophobicContact CB-CD1 4.09Å; F46-L134 HydrophobicContact CB-CD2 4.47Å; F46-L134 HydrophobicContact CD1-CB 4.06Å; F46-L134 HydrophobicContact CD1-CD2 4.12Å; F46-L134 HydrophobicContact CD1-CG 4.5Å; F46-L134 HydrophobicContact CD2-CB 3.92Å; F46-L134 HydrophobicContact CD2-CD1 3.97Å; F46-L134 HydrophobicContact CD2-CG 4.47Å; F46-L134 HydrophobicContact CE1-CB 3.94Å; F46-L134 HydrophobicContact CE2-CB 3.79Å; F46-L134 HydrophobicContact CG-CB 4.08Å; F46-L134 HydrophobicContact CG-CD1 3.99Å; F46-L134 HydrophobicContact CG-CD2 4.25Å; F46-L134 HydrophobicContact CG-CG 4.34Å; F46-L134 HydrophobicContact CZ-CB 3.82Å; L134-M268 HydrophobicContact CB-CB 4.25Å; L134-M268 HydrophobicContact CB-CE 4.46Å; L134-M268 HydrophobicContact CD1-CE 3.97Å; L134-M268 PolarHBondContact N-O 3.09Å; L134-M268 PolarHBondContact O-N 3.27Å; L134-L270 HydrophobicContact CD1-CB 4.36Å; L134-L270 HydrophobicContact CD1-CD1 3.86Å; L134-L270 HydrophobicContact CD2-CD1 4.44Å; L134-L270 HydrophobicContact CG-CB 4.18Å; L134-L270 HydrophobicContact CG-CD1 4.35Å; L134-L273 HydrophobicContact CD1-CD2 4.12Å
135	G	97.1	Very high	94.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.9	-178.4	0	0	0	0	0	112.9	A103 N104 M133 W137 T266	A103-G135 VanDerWaalsContact CA-O 3.25Å; A103-G135 WeakPolarHBondContact CA-O 3.34Å; N104-G135 PolarHBondContact N-O 3.18Å; N104-G135 PolarHBondContact O-N 2.98Å; M133-G135 PolarHBondContact O-N 3.3Å; G135-W137 VanDerWaalsContact CA-CH2 3.42Å; G135-W137 WeakPolarHBondContact O-CZ3 3.29Å; G135-T266 WeakPolarHBondContact CA-O 3.48Å
136	N	97.5	Very high	94.4	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139	168.8	69.6	-73.3	0	0	0	109.4	F50 V102 A103 Y143 W241 T266	F50-N136 HydrophobicContact CD1-CB 3.87Å; F50-N136 HydrophobicContact CD2-CB 4.31Å; F50-N136 HydrophobicContact CE1-CB 3.69Å; F50-N136 VanDerWaalsContact CE1-ND2 3.33Å; F50-N136 WeakPolarHBondContact CE1-ND2 3.25Å; F50-N136 HydrophobicContact CE2-CB 4.15Å; F50-N136 HydrophobicContact CG-CB 4.18Å; F50-N136 HydrophobicContact CZ-CB 3.84Å; F50-N136 VanDerWaalsContact CZ-OD1 3.27Å; F50-N136 WeakPolarHBondContact CZ-OD1 3.12Å; V102-N136 CarbonylContact O-C 3.56Å; V102-N136 VanDerWaalsContact O-CA 3.3Å; V102-N136 WeakPolarHBondContact O-CA 3.33Å; A103-N136 HydrophobicContact CB-CB 4.2Å; N136-Y143 PolarHBondContact ND2-OH 3.45Å; N136-W241 WeakPolarHBondContact OD1-CZ2 3.44Å; N136-T266 PolarHBondContact N-OG1 2.97Å; N136-T266 VanDerWaalsContact N-OG1 3.11Å; N136-T266 WeakPolarHBondContact O-CG2 3.16Å; N136-T266 PolarHBondContact O-N 3.12Å; N136-T266 PolarHBondContact O-OG1 3.43Å; N136-T266 WeakPolarHBondContact OD1-CG2 3.31Å; N136-T266 PolarHBondContact OD1-OG1 3.03Å
137	W	97.4	Very high	94.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.2	-174	-61.6	-89.6	0	0	0	110.9	G78 F82 R101 V102 N104 G135 F139 V264 D265	G78-W137 VanDerWaalsContact CA-CZ2 3.5Å; F82-W137 AromaticContact CD2-CD2 3.81Å; F82-W137 HydrophobicContact CD2-CD2 3.81Å; F82-W137 AromaticContact CD2-CE2 3.98Å; F82-W137 HydrophobicContact CD2-CE3 4.33Å; F82-W137 AromaticContact CD2-CG 3.94Å; F82-W137 HydrophobicContact CD2-CG 3.94Å; F82-W137 AromaticContact CE2-CD2 3.43Å; F82-W137 HydrophobicContact CE2-CD2 3.43Å; F82-W137 VanDerWaalsContact CE2-CD2 3.43Å; F82-W137 AromaticContact CE2-CE2 3.77Å; F82-W137 AromaticContact CE2-CE3 3.49Å; F82-W137 HydrophobicContact CE2-CE3 3.49Å; F82-W137 VanDerWaalsContact CE2-CE3 3.49Å; F82-W137 AromaticContact CE2-CG 3.99Å; F82-W137 HydrophobicContact CE2-CG 3.99Å; F82-W137 HydrophobicContact CE2-CH2 4.19Å; F82-W137 HydrophobicContact CE2-CZ2 4.19Å; F82-W137 AromaticContact CE2-CZ3 3.83Å; F82-W137 HydrophobicContact CE2-CZ3 3.83Å; F82-W137 HydrophobicContact CZ-CD2 4.43Å; F82-W137 HydrophobicContact CZ-CE3 4.14Å; F82-W137 HydrophobicContact CZ-CZ3 4.42Å; R101-W137 CarbonylContact C-O 3.52Å; R101-W137 VanDerWaalsContact CA-O 3.29Å; R101-W137 WeakPolarHBondContact CA-O 3.43Å; V102-W137 HydrophobicContact CG2-CB 3.81Å; V102-W137 HydrophobicContact CG2-CD2 4.38Å; V102-W137 HydrophobicContact CG2-CE3 3.92Å; V102-W137 HydrophobicContact CG2-CG 4.38Å; V102-W137 PolarHBondContact N-O 2.95Å; V102-W137 PolarHBondContact O-N 2.74Å; N104-W137 HydrophobicContact CB-CZ3 4.32Å; N104-W137 WeakPolarHBondContact OD1-CH2 3.18Å; N104-W137 WeakPolarHBondContact OD1-CZ3 3.44Å; G135-W137 VanDerWaalsContact CA-CH2 3.42Å; G135-W137 WeakPolarHBondContact O-CZ3 3.29Å; W137-F139 HydrophobicContact CB-CE1 4.12Å; W137-F139 HydrophobicContact CB-CE2 4.18Å; W137-F139 HydrophobicContact CB-CZ 3.67Å; W137-F139 HydrophobicContact CG-CZ 4.3Å; W137-V264 VanDerWaalsContact CA-O 3.26Å; W137-V264 WeakPolarHBondContact CA-O 3.05Å; W137-D265 PolarHBondContact NE1-OD1 3.05Å
138	A	96.8	Very high	95.2	Very high	1 Å²	1	23 Å²	23	1%	0.008	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139	165.1	0	0	0	0	0	111.2	R100 E142 Y143 H263 V264	R100-A138 CarbonylContact O-C 3.53Å; R100-A138 WeakPolarHBondContact O-CA 3.36Å; A138-E142 HydrophobicContact CB-CB 4.34Å; A138-Y143 HydrophobicContact CB-CD1 3.61Å; A138-Y143 HydrophobicContact CB-CD2 4.01Å; A138-Y143 HydrophobicContact CB-CE1 3.39Å; A138-Y143 HydrophobicContact CB-CE2 3.76Å; A138-Y143 HydrophobicContact CB-CG 3.9Å; A138-Y143 VanDerWaalsContact CB-CZ 3.4Å; A138-H263 WeakPolarHBondContact O-CA 3.33Å; A138-H263 WeakPolarHBondContact O-CB 3.14Å; A138-V264 HydrophobicContact CB-CB 4.18Å; A138-V264 HydrophobicContact CB-CG2 4.4Å; A138-V264 PolarHBondContact N-O 2.84Å; A138-V264 VanDerWaalsContact N-O 3.09Å; A138-V264 PolarHBondContact O-N 3.27Å
139	F	95	Very high	95.4	Very high	6 Å²	6	22.6 Å²	22.6	3%	0.026	13%	0.129	C	C	.	.			trans	-119.5	143.6	179.4	-48	-71.5	0	0	0	111.9	F82 I85 F86 F99 R100 V102 W137 E142 H263	F82-F139 HydrophobicContact CB-CE1 3.78Å; F82-F139 HydrophobicContact CB-CZ 3.71Å; F82-F139 HydrophobicContact CD1-CE2 4.48Å; F82-F139 AromaticContact CD1-CZ 3.84Å; F82-F139 HydrophobicContact CD1-CZ 3.84Å; F82-F139 HydrophobicContact CD2-CZ 4.04Å; F82-F139 HydrophobicContact CG-CE1 4.17Å; F82-F139 AromaticContact CG-CZ 3.59Å; F82-F139 HydrophobicContact CG-CZ 3.59Å; I85-F139 HydrophobicContact CB-CD1 4.14Å; I85-F139 HydrophobicContact CB-CE1 4.3Å; I85-F139 HydrophobicContact CD1-CD1 4.26Å; I85-F139 HydrophobicContact CD1-CD2 3.98Å; I85-F139 HydrophobicContact CD1-CE1 4.02Å; I85-F139 HydrophobicContact CD1-CE2 3.72Å; I85-F139 HydrophobicContact CD1-CG 4.25Å; I85-F139 HydrophobicContact CD1-CZ 3.76Å; I85-F139 HydrophobicContact CG2-CB 3.84Å; I85-F139 HydrophobicContact CG2-CD1 3.53Å; I85-F139 HydrophobicContact CG2-CD2 4.41Å; I85-F139 HydrophobicContact CG2-CE1 4.18Å; I85-F139 HydrophobicContact CG2-CG 3.68Å; F86-F139 HydrophobicContact CD1-CD1 4.19Å; F86-F139 HydrophobicContact CD1-CE1 4.24Å; F86-F139 AromaticContact CE1-CD1 3.69Å; F86-F139 HydrophobicContact CE1-CD1 3.69Å; F86-F139 AromaticContact CE1-CE1 3.47Å; F86-F139 HydrophobicContact CE1-CE1 3.47Å; F86-F139 VanDerWaalsContact CE1-CE1 3.47Å; F86-F139 HydrophobicContact CZ-CD1 4.33Å; F86-F139 AromaticContact CZ-CE1 3.63Å; F86-F139 HydrophobicContact CZ-CE1 3.63Å; F99-F139 HydrophobicContact CB-CD2 3.96Å; F99-F139 HydrophobicContact CB-CE2 3.87Å; R100-F139 PolarHBondContact O-N 3.26Å; V102-F139 HydrophobicContact CG1-CE2 4.39Å; V102-F139 HydrophobicContact CG2-CE2 3.61Å; V102-F139 HydrophobicContact CG2-CZ 3.94Å; W137-F139 HydrophobicContact CB-CE1 4.12Å; W137-F139 HydrophobicContact CB-CE2 4.18Å; W137-F139 HydrophobicContact CB-CZ 3.67Å; W137-F139 HydrophobicContact CG-CZ 4.3Å; F139-E142 WeakPolarHBondContact O-CB 3.42Å; F139-H263 WeakPolarHBondContact CA-ND1 3.39Å; F139-H263 AromaticContact CD1-ND1 3.78Å
140	G	85.1	Confident	95.5	Very high	38 Å²	38	24.5 Å²	24.5	39%	0.392	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	69	35	173.1	0	0	0	0	0	114.7	E142 H263	G140-E142 PolarHBondContact O-N 3.42Å; G140-H263 PolarHBondContact N-ND1 3.46Å
141	G	84.1	Confident	95.6	Very high	50 Å²	50	24.6 Å²	24.6	52%	0.515	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	69	18.3	178.5	0	0	0	0	0	114.9	Y143 W262	G141-Y143 VanDerWaalsContact C-N 3.26Å; G141-Y143 PolarHBondContact O-N 2.92Å; G141-W262 PolarHBondContact N-O 3.49Å
142	E	91.9	Very high	95.7	Very high	81 Å²	81	23.7 Å²	23.7	38%	0.379	14%	0.139	S	C	.	.	S	Bend	trans	-57.5	-37.2	179.7	177.1	62	-150.1	0	0	113.3	R100 R101 A138 F139 G140	R100-E142 HydrophobicContact CB-CG 4.32Å; R101-E142 HydrophobicContact CG-CG 3.45Å; R101-E142 VanDerWaalsContact CG-CG 3.45Å; R101-E142 IonicContact CZ-OE1 3.71Å; R101-E142 VanDerWaalsContact CZ-OE1 3.28Å; R101-E142 IonicContact NE-OE1 3.42Å; R101-E142 PolarHBondContact NE-OE1 3.36Å; R101-E142 PolarHBondContact NH2-O 3.01Å; R101-E142 VanDerWaalsContact NH2-O 3.12Å; R101-E142 IonicContact NH2-OE1 2.78Å; R101-E142 PolarHBondContact NH2-OE1 3.47Å; A138-E142 HydrophobicContact CB-CB 4.34Å; F139-E142 WeakPolarHBondContact O-CB 3.42Å; G140-E142 PolarHBondContact O-N 3.42Å
143	Y	95.4	Very high	95.8	Very high	9 Å²	9	25 Å²	25	4%	0.035	14%	0.144	C	C	.	.	S	Bend	trans	-154.3	167.4	159.8	67.4	-104.7	0	0	0	109.1	H56 R101 N136 A138 G141 E147 A148 M151 V264	H56-Y143 AromaticContact CE1-CE1 3.78Å; H56-Y143 AromaticContact NE2-CE1 3.56Å; H56-Y143 AromaticContact NE2-CZ 3.78Å; H56-Y143 PolarHBondContact NE2-OH 2.94Å; R101-Y143 HydrophobicContact CG-CD1 4.24Å; R101-Y143 HydrophobicContact CG-CE1 4.06Å; N136-Y143 PolarHBondContact ND2-OH 3.45Å; A138-Y143 HydrophobicContact CB-CD1 3.61Å; A138-Y143 HydrophobicContact CB-CD2 4.01Å; A138-Y143 HydrophobicContact CB-CE1 3.39Å; A138-Y143 HydrophobicContact CB-CE2 3.76Å; A138-Y143 HydrophobicContact CB-CG 3.9Å; A138-Y143 VanDerWaalsContact CB-CZ 3.4Å; G141-Y143 VanDerWaalsContact C-N 3.26Å; G141-Y143 PolarHBondContact O-N 2.92Å; Y143-E147 WeakPolarHBondContact CB-OE2 3.38Å; Y143-E147 HydrophobicContact CD2-CB 4.23Å; Y143-E147 HydrophobicContact CG-CB 4.23Å; Y143-E147 HydrophobicContact CG-CG 4.46Å; Y143-A148 HydrophobicContact CD2-CB 4.31Å; Y143-A148 HydrophobicContact CE2-CB 4.05Å; Y143-M151 HydrophobicContact CD1-CE 4.1Å; Y143-M151 HydrophobicContact CD2-CE 3.84Å; Y143-M151 HydrophobicContact CE1-CE 3.76Å; Y143-M151 HydrophobicContact CE2-CE 3.53Å; Y143-M151 HydrophobicContact CG-CE 4.16Å; Y143-V264 HydrophobicContact CD2-CB 4.47Å; Y143-V264 HydrophobicContact CD2-CG2 3.92Å; Y143-V264 HydrophobicContact CE2-CB 3.83Å; Y143-V264 HydrophobicContact CE2-CG1 3.93Å; Y143-V264 HydrophobicContact CE2-CG2 3.76Å; Y143-V264 WeakPolarHBondContact O-CG2 3.35Å
144	F	95.6	Very high	95.8	Very high	34 Å²	34	26.3 Å²	26.3	15%	0.149	15%	0.15	C	C	.	.			trans	-139.4	-140.9	179.5	-154.9	-129.8	0	0	0	111.8	E146 A148 F245 W262 V264	F144-E146 PolarHBondContact O-N 2.93Å; F144-A148 WeakPolarHBondContact O-CB 3.43Å; F144-A148 PolarHBondContact O-N 3.3Å; F144-F245 HydrophobicContact CD2-CD1 4.46Å; F144-F245 HydrophobicContact CE1-CB 4.39Å; F144-F245 HydrophobicContact CE2-CB 3.84Å; F144-F245 HydrophobicContact CE2-CD1 4.25Å; F144-F245 HydrophobicContact CE2-CG 4.46Å; F144-F245 HydrophobicContact CZ-CB 3.62Å; F144-F245 HydrophobicContact CZ-CD1 4.49Å; F144-F245 HydrophobicContact CZ-CG 4.33Å; F144-W262 HydrophobicContact CD1-CE3 4.21Å; F144-W262 HydrophobicContact CD2-CB 4.2Å; F144-W262 AromaticContact CE1-CE3 3.96Å; F144-W262 HydrophobicContact CE1-CE3 3.96Å; F144-W262 HydrophobicContact CE1-CZ3 4.47Å; F144-W262 HydrophobicContact CE2-CB 3.75Å; F144-W262 HydrophobicContact CE2-CG 4.47Å; F144-W262 HydrophobicContact CZ-CB 4.1Å; F144-W262 HydrophobicContact CZ-CD2 4.36Å; F144-W262 HydrophobicContact CZ-CE3 4.23Å; F144-W262 HydrophobicContact CZ-CG 4.34Å; F144-V264 HydrophobicContact CD2-CG2 3.82Å
145	K	97	Very high	95.8	Very high	12 Å²	12	26.3 Å²	26.3	5%	0.052	15%	0.15	C	C	.	.	H	α-helix	trans	-53	-55.1	-170.2	-67.6	167.5	175.8	-179.6	0	114.8	E147 A148 C149 D183 E185 T186 I189 F245	K145-E147 PolarHBondContact O-N 3.4Å; K145-A148 PolarHBondContact O-N 2.9Å; K145-C149 WeakPolarHBondContact O-CB 3.48Å; K145-C149 PolarHBondContact O-N 3.47Å; K145-C149 PolarHBondContact O-SG 3.27Å; K145-C149 VanDerWaalsContact O-SG 3.33Å; K145-D183 WeakPolarHBondContact CE-OD2 3.48Å; K145-D183 VanDerWaalsContact NZ-CG 3.32Å; K145-D183 IonicContact NZ-OD1 3.46Å; K145-D183 PolarHBondContact NZ-OD1 3.32Å; K145-D183 IonicContact NZ-OD2 3.61Å; K145-D183 PolarHBondContact NZ-OD2 2.79Å; K145-E185 HydrophobicContact CD-CB 4.47Å; K145-E185 HydrophobicContact CD-CG 4.11Å; K145-E185 WeakPolarHBondContact CD-OE2 3.38Å; K145-E185 IonicContact NZ-OE2 3.38Å; K145-E185 PolarHBondContact NZ-OE2 3.42Å; K145-T186 WeakPolarHBondContact CD-OG1 3.49Å; K145-I189 HydrophobicContact CB-CD1 3.6Å; K145-F245 HydrophobicContact CB-CD1 4.48Å; K145-F245 HydrophobicContact CB-CE1 4.05Å; K145-F245 HydrophobicContact CB-CZ 4.09Å; K145-F245 HydrophobicContact CD-CD2 4.35Å; K145-F245 HydrophobicContact CD-CE2 4.48Å; K145-F245 HydrophobicContact CG-CD1 3.59Å; K145-F245 HydrophobicContact CG-CD2 3.8Å; K145-F245 HydrophobicContact CG-CE1 3.57Å; K145-F245 HydrophobicContact CG-CE2 3.76Å; K145-F245 HydrophobicContact CG-CG 3.71Å; K145-F245 HydrophobicContact CG-CZ 3.65Å
146	E	97.4	Very high	95.8	Very high	137 Å²	137	26.3 Å²	26.3	64%	0.64	15%	0.15	S	C	*	.	H	α-helix	trans	-59.9	-50.1	-172.7	-174.8	178.3	-179.8	0	0	112.4	F144 S150 I189	F144-E146 PolarHBondContact O-N 2.93Å; E146-S150 VanDerWaalsContact O-CB 3.31Å; E146-S150 WeakPolarHBondContact O-CB 3.28Å; E146-S150 PolarHBondContact O-N 3.4Å; E146-S150 PolarHBondContact O-OG 2.89Å; E146-I189 HydrophobicContact CB-CD1 4.08Å; E146-I189 HydrophobicContact CB-CG1 4.37Å
147	E	97.3	Very high	95.8	Very high	66 Å²	66	27.4 Å²	27.4	31%	0.308	16%	0.157	S	C	.	.	H	α-helix	trans	-67.4	-41.9	179.3	-159.5	177.4	156.9	0	0	110.9	R101 Y143 K145 S150 M151	R101-E147 IonicContact CZ-OE1 2.97Å; R101-E147 IonicContact NH1-OE1 3.83Å; R101-E147 PolarHBondContact NH1-OE1 3.35Å; R101-E147 IonicContact NH1-OE2 3.77Å; R101-E147 IonicContact NH2-OE1 3.39Å; R101-E147 IonicContact NH2-OE2 2.68Å; Y143-E147 WeakPolarHBondContact CB-OE2 3.38Å; Y143-E147 HydrophobicContact CD2-CB 4.23Å; Y143-E147 HydrophobicContact CG-CB 4.23Å; Y143-E147 HydrophobicContact CG-CG 4.46Å; K145-E147 PolarHBondContact O-N 3.4Å; E147-S150 PolarHBondContact O-N 2.96Å; E147-M151 HydrophobicContact CB-CE 4.26Å; E147-M151 HydrophobicContact CG-CE 3.76Å; E147-M151 HydrophobicContact CG-CG 4.39Å; E147-M151 HydrophobicContact CG-SD 4.36Å; E147-M151 WeakPolarHBondContact O-CB 3.48Å; E147-M151 VanDerWaalsContact O-CG 3.28Å; E147-M151 WeakPolarHBondContact O-CG 3.42Å; E147-M151 PolarHBondContact O-N 2.94Å
148	A	97.6	Very high	95.7	Very high	3 Å²	3	33.8 Å²	33.8	3%	0.025	19%	0.187	C	C	.	.	H	α-helix	trans	-59.7	-49.1	179.1	0	0	0	0	0	112.2	Y143 F144 K145 A152 L243 F245 V264	Y143-A148 HydrophobicContact CD2-CB 4.31Å; Y143-A148 HydrophobicContact CE2-CB 4.05Å; F144-A148 WeakPolarHBondContact O-CB 3.43Å; F144-A148 PolarHBondContact O-N 3.3Å; K145-A148 PolarHBondContact O-N 2.9Å; A148-A152 WeakPolarHBondContact O-CB 3.43Å; A148-A152 PolarHBondContact O-N 3.45Å; A148-L243 HydrophobicContact CB-CD2 4.17Å; A148-F245 HydrophobicContact CB-CE1 4.25Å; A148-V264 HydrophobicContact CB-CG1 4.02Å
149	C	98.4	Very high	95.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-42.5	176.7	-68.9	0	0	0	0	111.6	K145 A152 W153 I189 W190 L193	K145-C149 WeakPolarHBondContact O-CB 3.48Å; K145-C149 PolarHBondContact O-N 3.47Å; K145-C149 PolarHBondContact O-SG 3.27Å; K145-C149 VanDerWaalsContact O-SG 3.33Å; C149-A152 PolarHBondContact O-N 2.89Å; C149-W153 WeakPolarHBondContact O-CB 3.29Å; C149-W153 PolarHBondContact O-N 3.34Å; C149-I189 HydrophobicContact CB-CG2 3.63Å; C149-W190 HydrophobicContact CB-CD2 4.49Å; C149-W190 HydrophobicContact CB-CE3 4.33Å; C149-W190 HydrophobicContact CB-CH2 3.66Å; C149-W190 HydrophobicContact CB-CZ2 3.86Å; C149-W190 HydrophobicContact CB-CZ3 3.92Å; C149-W190 WeakPolarHBondContact SG-CZ2 3.49Å; C149-L193 HydrophobicContact CB-CD1 3.96Å
150	S	98.1	Very high	95.7	Very high	39 Å²	39	37.5 Å²	37.5	27%	0.273	21%	0.206	S	C	.	.	H	α-helix	trans	-63	-47.2	179.1	-60.1	0	0	0	0	112.2	E146 E147 W153 E154	E146-S150 VanDerWaalsContact O-CB 3.31Å; E146-S150 WeakPolarHBondContact O-CB 3.28Å; E146-S150 PolarHBondContact O-N 3.4Å; E146-S150 PolarHBondContact O-OG 2.89Å; E147-S150 PolarHBondContact O-N 2.96Å; S150-W153 PolarHBondContact O-N 3.11Å; S150-E154 WeakPolarHBondContact O-CB 3.26Å; S150-E154 PolarHBondContact O-N 3.18Å
151	M	98.3	Very high	96.1	Very high	3 Å²	3	38 Å²	38	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-61.3	-44.3	176.9	-72.9	-172.2	-77.3	0	0	111.7	F50 H54 Y143 E147 E154 L155	F50-M151 HydrophobicContact CD1-SD 4.42Å; F50-M151 HydrophobicContact CE1-CB 4.26Å; F50-M151 HydrophobicContact CE1-SD 3.95Å; H54-M151 HydrophobicContact CB-SD 3.76Å; Y143-M151 HydrophobicContact CD1-CE 4.1Å; Y143-M151 HydrophobicContact CD2-CE 3.84Å; Y143-M151 HydrophobicContact CE1-CE 3.76Å; Y143-M151 HydrophobicContact CE2-CE 3.53Å; Y143-M151 HydrophobicContact CG-CE 4.16Å; E147-M151 HydrophobicContact CB-CE 4.26Å; E147-M151 HydrophobicContact CG-CE 3.76Å; E147-M151 HydrophobicContact CG-CG 4.39Å; E147-M151 HydrophobicContact CG-SD 4.36Å; E147-M151 WeakPolarHBondContact O-CB 3.48Å; E147-M151 VanDerWaalsContact O-CG 3.28Å; E147-M151 WeakPolarHBondContact O-CG 3.42Å; E147-M151 PolarHBondContact O-N 2.94Å; M151-E154 PolarHBondContact O-N 3.08Å; M151-L155 WeakPolarHBondContact O-CB 3.39Å; M151-L155 PolarHBondContact O-N 2.79Å
152	A	98	Very high	96.6	Very high	2 Å²	2	36 Å²	36	2%	0.017	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-43.7	179	0	0	0	0	0	111.6	A148 C149 L155 L156 I224 W241 L243	A148-A152 WeakPolarHBondContact O-CB 3.43Å; A148-A152 PolarHBondContact O-N 3.45Å; C149-A152 PolarHBondContact O-N 2.89Å; A152-L155 PolarHBondContact O-N 3.4Å; A152-L156 WeakPolarHBondContact O-CG 3.43Å; A152-L156 PolarHBondContact O-N 2.96Å; A152-L156 VanDerWaalsContact O-N 3.14Å; A152-I224 HydrophobicContact CB-CD1 3.8Å; A152-W241 VanDerWaalsContact CA-CZ3 3.45Å; A152-W241 HydrophobicContact CB-CD2 4.33Å; A152-W241 HydrophobicContact CB-CE3 3.82Å; A152-W241 HydrophobicContact CB-CH2 3.89Å; A152-W241 HydrophobicContact CB-CZ2 4.4Å; A152-W241 HydrophobicContact CB-CZ3 3.58Å; A152-L243 HydrophobicContact CB-CD1 4.31Å; A152-L243 HydrophobicContact CB-CD2 3.95Å
153	W	98.1	Very high	96.7	Very high	26 Å²	26	34.8 Å²	34.8	10%	0.098	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-44.4	177.5	-162.2	-111.7	0	0	0	112.4	C149 S150 L156 T157 T164 L167 V169 W190 L193 V195	C149-W153 WeakPolarHBondContact O-CB 3.29Å; C149-W153 PolarHBondContact O-N 3.34Å; S150-W153 PolarHBondContact O-N 3.11Å; W153-L156 PolarHBondContact O-N 3.35Å; W153-T157 HydrophobicContact CD2-CG2 4.06Å; W153-T157 HydrophobicContact CG-CG2 4.37Å; W153-T157 HydrophobicContact CZ2-CG2 4.15Å; W153-T157 WeakPolarHBondContact O-CB 3.47Å; W153-T157 WeakPolarHBondContact O-CG2 3.38Å; W153-T157 PolarHBondContact O-N 3.02Å; W153-T157 PolarHBondContact O-OG1 3.3Å; W153-T164 HydrophobicContact CZ2-CG2 3.92Å; W153-L167 HydrophobicContact CE3-CD1 4.31Å; W153-L167 HydrophobicContact CH2-CB 3.68Å; W153-L167 HydrophobicContact CH2-CD1 3.91Å; W153-L167 HydrophobicContact CH2-CG 4.46Å; W153-L167 HydrophobicContact CZ3-CB 3.77Å; W153-L167 HydrophobicContact CZ3-CD1 3.76Å; W153-L167 HydrophobicContact CZ3-CG 4.41Å; W153-V169 HydrophobicContact CZ3-CG1 4.12Å; W153-W190 HydrophobicContact CB-CZ3 4.21Å; W153-W190 HydrophobicContact CD2-CZ3 4.4Å; W153-W190 HydrophobicContact CE3-CE3 4.49Å; W153-W190 AromaticContact CE3-CZ3 3.92Å; W153-W190 HydrophobicContact CE3-CZ3 3.92Å; W153-L193 HydrophobicContact CB-CD1 4.41Å; W153-V195 HydrophobicContact CE3-CG2 4.47Å; W153-V195 HydrophobicContact CH2-CG2 3.71Å; W153-V195 HydrophobicContact CZ2-CG2 3.88Å; W153-V195 HydrophobicContact CZ3-CG2 4.01Å
154	E	97.8	Very high	96.6	Very high	43 Å²	43	37.7 Å²	37.7	20%	0.201	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-47.9	176.2	-179	-177.7	162.3	0	0	111.4	F49 R53 H54 S150 M151 L156 Q158 V159	F49-E154 HydrophobicContact CE2-CG 3.99Å; F49-E154 HydrophobicContact CZ-CB 4.21Å; F49-E154 HydrophobicContact CZ-CG 4.09Å; R53-E154 IonicContact CZ-OE1 2.64Å; R53-E154 IonicContact NH1-OE1 3.95Å; R53-E154 PolarHBondContact NH1-OE1 2.71Å; H54-E154 IonicContact CE1-OE2 3.45Å; H54-E154 IonicContact NE2-OE2 2.7Å; S150-E154 WeakPolarHBondContact O-CB 3.26Å; S150-E154 PolarHBondContact O-N 3.18Å; M151-E154 PolarHBondContact O-N 3.08Å; E154-L156 PolarHBondContact O-N 2.74Å; E154-Q158 HydrophobicContact CG-CB 4.32Å; E154-Q158 HydrophobicContact CG-CG 4.29Å; E154-Q158 WeakPolarHBondContact O-CA 3.29Å; E154-Q158 VanDerWaalsContact O-CB 3.28Å; E154-Q158 WeakPolarHBondContact O-CB 3.23Å; E154-Q158 PolarHBondContact O-N 2.83Å; E154-V159 PolarHBondContact O-N 2.78Å
155	L	97.8	Very high	96.5	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-59.7	-49.6	-179.3	-179.3	56.4	0	0	0	111.5	F46 F49 F50 M151 A152 V159 Y160 W241 M268	F46-L155 HydrophobicContact CD2-CD2 3.56Å; F46-L155 HydrophobicContact CE2-CD2 3.99Å; F46-L155 HydrophobicContact CG-CD2 4.49Å; F49-L155 HydrophobicContact CB-CD1 3.91Å; F49-L155 HydrophobicContact CD1-CB 4.09Å; F49-L155 HydrophobicContact CD1-CD1 3.78Å; F49-L155 HydrophobicContact CD1-CD2 4.05Å; F49-L155 HydrophobicContact CD1-CG 4.18Å; F49-L155 HydrophobicContact CD2-CD1 4.17Å; F49-L155 HydrophobicContact CE1-CB 3.76Å; F49-L155 HydrophobicContact CE1-CD1 4.31Å; F49-L155 HydrophobicContact CE1-CD2 4.37Å; F49-L155 HydrophobicContact CE1-CG 4.35Å; F49-L155 HydrophobicContact CG-CD1 3.69Å; F49-L155 HydrophobicContact CZ-CB 3.99Å; F50-L155 HydrophobicContact CE2-CD2 3.81Å; M151-L155 WeakPolarHBondContact O-CB 3.39Å; M151-L155 PolarHBondContact O-N 2.79Å; A152-L155 PolarHBondContact O-N 3.4Å; L155-V159 HydrophobicContact CD1-CB 3.85Å; L155-V159 HydrophobicContact CD1-CG1 3.93Å; L155-V159 HydrophobicContact CD1-CG2 4.14Å; L155-V159 WeakPolarHBondContact O-CB 3.29Å; L155-V159 PolarHBondContact O-N 2.86Å; L155-Y160 HydrophobicContact CD1-CD2 3.96Å; L155-Y160 HydrophobicContact CD1-CE2 3.57Å; L155-Y160 HydrophobicContact CD2-CE2 4.07Å; L155-Y160 HydrophobicContact CG-CD2 3.88Å; L155-Y160 HydrophobicContact CG-CE2 3.59Å; L155-Y160 WeakPolarHBondContact O-CD2 3.43Å; L155-Y160 PolarHBondContact O-N 3.01Å; L155-W241 HydrophobicContact CB-CZ3 4.3Å; L155-W241 HydrophobicContact CD2-CH2 3.64Å; L155-W241 HydrophobicContact CD2-CZ3 3.79Å; L155-W241 HydrophobicContact CG-CZ3 4.42Å; L155-M268 HydrophobicContact CD2-CE 4.28Å
156	L	97.4	Very high	96.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	I	π-helix	trans	-67.9	-43.6	-177.8	-65.3	177.9	0	0	0	112.2	A152 W153 E154 Y160 G161 I162 L167 I224 W241 M268 L273	A152-L156 WeakPolarHBondContact O-CG 3.43Å; A152-L156 PolarHBondContact O-N 2.96Å; A152-L156 VanDerWaalsContact O-N 3.14Å; W153-L156 PolarHBondContact O-N 3.35Å; E154-L156 PolarHBondContact O-N 2.74Å; L156-Y160 HydrophobicContact CD2-CD2 4.31Å; L156-G161 PolarHBondContact O-N 2.93Å; L156-I162 HydrophobicContact CB-CD1 4.37Å; L156-I162 HydrophobicContact CD2-CD1 3.97Å; L156-I162 WeakPolarHBondContact O-CB 3.18Å; L156-I162 WeakPolarHBondContact O-CG1 3.21Å; L156-I162 PolarHBondContact O-N 2.84Å; L156-L167 HydrophobicContact CB-CD1 4.28Å; L156-I224 HydrophobicContact CD1-CB 4.42Å; L156-I224 HydrophobicContact CD1-CD1 3.88Å; L156-I224 HydrophobicContact CD1-CG2 3.76Å; L156-W241 HydrophobicContact CD1-CE3 4.17Å; L156-W241 HydrophobicContact CD2-CE3 4.37Å; L156-W241 HydrophobicContact CG-CE3 4.2Å; L156-W241 HydrophobicContact CG-CZ3 4.32Å; L156-M268 HydrophobicContact CD2-SD 4.04Å; L156-L273 HydrophobicContact CD2-CD1 4.15Å
157	T	96.6	Very high	96.2	Very high	26 Å²	26	37 Å²	37	16%	0.16	20%	0.202	C	C	.	.	I	π-helix	trans	-89.7	-37	-170.2	62.4	0	0	0	0	113.6	W153 G161 T164 L167	W153-T157 HydrophobicContact CD2-CG2 4.06Å; W153-T157 HydrophobicContact CG-CG2 4.37Å; W153-T157 HydrophobicContact CZ2-CG2 4.15Å; W153-T157 WeakPolarHBondContact O-CB 3.47Å; W153-T157 WeakPolarHBondContact O-CG2 3.38Å; W153-T157 PolarHBondContact O-N 3.02Å; W153-T157 PolarHBondContact O-OG1 3.3Å; T157-G161 VanDerWaalsContact O-CA 3.29Å; T157-G161 WeakPolarHBondContact O-CA 3.48Å; T157-T164 HydrophobicContact CG2-CG2 3.67Å; T157-L167 HydrophobicContact CG2-CD1 3.8Å
158	Q	95.6	Very high	96.2	Very high	134 Å²	134	35.9 Å²	35.9	63%	0.626	20%	0.195	S	C	*	.	I	π-helix	trans	-99.9	-39.5	-173.8	-54.6	-175.4	23.6	0	0	112.8	E154	E154-Q158 HydrophobicContact CG-CB 4.32Å; E154-Q158 HydrophobicContact CG-CG 4.29Å; E154-Q158 WeakPolarHBondContact O-CA 3.29Å; E154-Q158 VanDerWaalsContact O-CB 3.28Å; E154-Q158 WeakPolarHBondContact O-CB 3.23Å; E154-Q158 PolarHBondContact O-N 2.83Å
159	V	95.5	Very high	96.2	Very high	51 Å²	51	35.7 Å²	35.7	31%	0.309	19%	0.193	S	C	.	.	I	π-helix	trans	-85.6	-50.4	-178.1	179.3	0	0	0	0	110.6	F49 E154 L155	F49-V159 HydrophobicContact CD2-CG2 3.62Å; F49-V159 HydrophobicContact CE2-CG2 3.83Å; E154-V159 PolarHBondContact O-N 2.78Å; L155-V159 HydrophobicContact CD1-CB 3.85Å; L155-V159 HydrophobicContact CD1-CG1 3.93Å; L155-V159 HydrophobicContact CD1-CG2 4.14Å; L155-V159 WeakPolarHBondContact O-CB 3.29Å; L155-V159 PolarHBondContact O-N 2.86Å
160	Y	95.9	Very high	96.1	Very high	33 Å²	33	35.7 Å²	35.7	13%	0.129	19%	0.193	C	C	.	.	S	Bend	trans	-85	-15.6	177.3	-69	-55	0	0	0	113.8	V42 A45 F46 L155 L156 I162 L273 L277	V42-Y160 HydrophobicContact CG1-CE1 3.96Å; V42-Y160 PolarHBondContact O-OH 2.83Å; A45-Y160 HydrophobicContact CB-CE1 3.9Å; F46-Y160 WeakPolarHBondContact CB-OH 3.2Å; F46-Y160 PolarHBondContact N-OH 3.09Å; L155-Y160 HydrophobicContact CD1-CD2 3.96Å; L155-Y160 HydrophobicContact CD1-CE2 3.57Å; L155-Y160 HydrophobicContact CD2-CE2 4.07Å; L155-Y160 HydrophobicContact CG-CD2 3.88Å; L155-Y160 HydrophobicContact CG-CE2 3.59Å; L155-Y160 WeakPolarHBondContact O-CD2 3.43Å; L155-Y160 PolarHBondContact O-N 3.01Å; L156-Y160 HydrophobicContact CD2-CD2 4.31Å; Y160-I162 VanDerWaalsContact C-N 3.3Å; Y160-I162 PolarHBondContact O-N 3.4Å; Y160-L273 HydrophobicContact CD2-CD1 4.5Å; Y160-L273 HydrophobicContact CD2-CD2 4.49Å; Y160-L273 HydrophobicContact CE2-CD2 3.85Å; Y160-L277 HydrophobicContact CD1-CD1 3.52Å; Y160-L277 HydrophobicContact CD1-CD2 4.43Å; Y160-L277 HydrophobicContact CE1-CD1 3.89Å; Y160-L277 HydrophobicContact CG-CD1 4.03Å; Y160-L277 HydrophobicContact CG-CD2 4.34Å
161	G	95.2	Very high	96.1	Very high	50 Å²	50	35.3 Å²	35.3	52%	0.515	19%	0.186	S	C	.	.			trans	71.2	22.8	175.9	0	0	0	0	0	114	L156 T157 P163	L156-G161 PolarHBondContact O-N 2.93Å; T157-G161 VanDerWaalsContact O-CA 3.29Å; T157-G161 WeakPolarHBondContact O-CA 3.48Å; G161-P163 WeakPolarHBondContact O-CD 3.2Å
162	I	94.5	Very high	96.1	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.036	19%	0.186	C	C	.	.			trans	-68	126.5	178.4	-59.2	178	0	0	0	108.6	L156 Y160 T164 L167 Y226 L273 V276 L277	L156-I162 HydrophobicContact CB-CD1 4.37Å; L156-I162 HydrophobicContact CD2-CD1 3.97Å; L156-I162 WeakPolarHBondContact O-CB 3.18Å; L156-I162 WeakPolarHBondContact O-CG1 3.21Å; L156-I162 PolarHBondContact O-N 2.84Å; Y160-I162 VanDerWaalsContact C-N 3.3Å; Y160-I162 PolarHBondContact O-N 3.4Å; I162-T164 PolarHBondContact O-N 2.9Å; I162-L167 HydrophobicContact CG2-CD1 4.26Å; I162-L167 HydrophobicContact CG2-CD2 3.94Å; I162-L167 HydrophobicContact CG2-CG 4.05Å; I162-Y226 HydrophobicContact CG2-CD2 3.97Å; I162-Y226 HydrophobicContact CG2-CE2 3.8Å; I162-L273 HydrophobicContact CD1-CD1 4.18Å; I162-V276 HydrophobicContact CD1-CG1 4.15Å; I162-L277 HydrophobicContact CD1-CD2 4.09Å; I162-L277 HydrophobicContact CG1-CD2 3.87Å
163	P	93.4	Very high	95.9	Very high	55 Å²	55	39.2 Å²	39.2	36%	0.357	21%	0.207	S	C	.	.			trans	-63.2	127.5	-178.9	-19.9	30.6	0	0	0	111.8	G161 E165 R166	G161-P163 WeakPolarHBondContact O-CD 3.2Å; P163-E165 HydrophobicContact CB-CG 4.44Å; P163-E165 WeakPolarHBondContact CB-OE1 3.38Å; P163-E165 VanDerWaalsContact CB-OE2 3.22Å; P163-E165 WeakPolarHBondContact CB-OE2 3.19Å; P163-E165 PolarHBondContact O-N 2.93Å; P163-E165 VanDerWaalsContact O-N 3.08Å; P163-R166 HydrophobicContact CB-CG 4.43Å; P163-R166 PolarHBondContact O-N 2.83Å
164	T	93.9	Very high	95.7	Very high	71 Å²	71	38.3 Å²	38.3	44%	0.436	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-56.6	-27.8	-177.2	55.3	0	0	0	0	113.1	W153 T157 I162 R166 L167	W153-T164 HydrophobicContact CZ2-CG2 3.92Å; T157-T164 HydrophobicContact CG2-CG2 3.67Å; I162-T164 PolarHBondContact O-N 2.9Å; T164-R166 PolarHBondContact O-N 3.02Å; T164-L167 PolarHBondContact O-N 3.3Å
165	E	91.9	Very high	95.4	Very high	104 Å²	104	38 Å²	38	49%	0.486	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-71.1	-16	180	70.7	-81.2	-169.2	0	0	114.3	P163 R199	P163-E165 HydrophobicContact CB-CG 4.44Å; P163-E165 WeakPolarHBondContact CB-OE1 3.38Å; P163-E165 VanDerWaalsContact CB-OE2 3.22Å; P163-E165 WeakPolarHBondContact CB-OE2 3.19Å; P163-E165 PolarHBondContact O-N 2.93Å; P163-E165 VanDerWaalsContact O-N 3.08Å; E165-R199 VanDerWaalsContact CA-NH1 3.31Å; E165-R199 PolarHBondContact O-NH2 3.18Å; E165-R199 VanDerWaalsContact O-NH2 3.1Å
166	R	92.9	Very high	95	Very high	64 Å²	64	44 Å²	44	24%	0.242	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-94.7	-6.1	175.1	-57.4	-163.5	73.4	161.8	5	112.9	P163 T164 Y226 D227 L228	P163-R166 HydrophobicContact CB-CG 4.43Å; P163-R166 PolarHBondContact O-N 2.83Å; T164-R166 PolarHBondContact O-N 3.02Å; R166-Y226 HydrophobicContact CB-CD2 3.87Å; R166-Y226 HydrophobicContact CB-CE2 3.53Å; R166-Y226 WeakPolarHBondContact CD-OH 3.26Å; R166-Y226 HydrophobicContact CG-CE2 4.26Å; R166-Y226 VanDerWaalsContact CZ-CZ 3.47Å; R166-Y226 VanDerWaalsContact NE-CZ 3.32Å; R166-Y226 PolarHBondContact NE-OH 3.05Å; R166-Y226 VanDerWaalsContact NE-OH 3.16Å; R166-Y226 PolarHBondContact NH1-OH 3.39Å; R166-Y226 WeakPolarHBondContact O-CA 3.18Å; R166-D227 PolarHBondContact NE-O 3.06Å; R166-D227 VanDerWaalsContact NE-O 3.1Å; R166-D227 PolarHBondContact NH2-O 2.71Å; R166-D227 PolarHBondContact O-N 3.5Å; R166-L228 PolarHBondContact NH2-O 2.88Å; R166-L228 VanDerWaalsContact NH2-O 3.09Å
167	L	95.5	Very high	94.4	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	135.7	-178.3	-64.7	176.4	0	0	0	111.2	W153 L156 T157 I162 T164 R199 I224 H225 Y226	W153-L167 HydrophobicContact CE3-CD1 4.31Å; W153-L167 HydrophobicContact CH2-CB 3.68Å; W153-L167 HydrophobicContact CH2-CD1 3.91Å; W153-L167 HydrophobicContact CH2-CG 4.46Å; W153-L167 HydrophobicContact CZ3-CB 3.77Å; W153-L167 HydrophobicContact CZ3-CD1 3.76Å; W153-L167 HydrophobicContact CZ3-CG 4.41Å; L156-L167 HydrophobicContact CB-CD1 4.28Å; T157-L167 HydrophobicContact CG2-CD1 3.8Å; I162-L167 HydrophobicContact CG2-CD1 4.26Å; I162-L167 HydrophobicContact CG2-CD2 3.94Å; I162-L167 HydrophobicContact CG2-CG 4.05Å; T164-L167 PolarHBondContact O-N 3.3Å; L167-R199 WeakPolarHBondContact O-CD 3.22Å; L167-I224 HydrophobicContact CD2-CG2 4.14Å; L167-H225 WeakPolarHBondContact CA-O 3.41Å; L167-Y226 HydrophobicContact CD2-CD2 4.23Å
168	W	97.1	Very high	93.7	Very high	41 Å²	41	54.6 Å²	54.6	16%	0.155	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	151.3	174.4	-65.7	67.2	0	0	0	108	T198 R199 L201 I224 H225 P235 L237	W168-T198 WeakPolarHBondContact CZ3-O 3.4Å; W168-R199 HydrophobicContact CD2-CB 3.88Å; W168-R199 HydrophobicContact CD2-CG 3.78Å; W168-R199 VanDerWaalsContact CE3-CA 3.46Å; W168-R199 HydrophobicContact CE3-CB 3.79Å; W168-R199 HydrophobicContact CE3-CG 3.87Å; W168-R199 HydrophobicContact CG-CB 4.28Å; W168-R199 HydrophobicContact CG-CG 4.42Å; W168-R199 HydrophobicContact CH2-CG 3.98Å; W168-R199 HydrophobicContact CZ2-CG 3.92Å; W168-R199 HydrophobicContact CZ3-CB 4.22Å; W168-R199 HydrophobicContact CZ3-CG 3.96Å; W168-L201 HydrophobicContact CE3-CD1 4.25Å; W168-L201 HydrophobicContact CE3-CD2 3.97Å; W168-L201 HydrophobicContact CE3-CG 4.19Å; W168-L201 HydrophobicContact CZ3-CD2 4.07Å; W168-I224 CarbonylContact O-C 3.37Å; W168-I224 WeakPolarHBondContact O-CA 3.46Å; W168-H225 HydrophobicContact CB-CB 4.32Å; W168-H225 PolarHBondContact N-O 2.85Å; W168-H225 PolarHBondContact O-N 3.05Å; W168-P235 HydrophobicContact CH2-CG 4.37Å; W168-P235 HydrophobicContact CZ2-CB 4.12Å; W168-P235 HydrophobicContact CZ2-CG 4.37Å; W168-L237 HydrophobicContact CB-CD1 4.43Å; W168-L237 HydrophobicContact CB-CD2 4.1Å; W168-L237 HydrophobicContact CD2-CD1 4.43Å; W168-L237 HydrophobicContact CD2-CD2 4Å; W168-L237 HydrophobicContact CE3-CD1 4.48Å; W168-L237 HydrophobicContact CG-CD1 4.41Å; W168-L237 HydrophobicContact CG-CD2 3.62Å
169	V	97.9	Very high	93.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	153.6	-179.9	-57.7	0	0	0	0	110.1	W153 W190 V195 R199 V200 L201 E223 I224	W153-V169 HydrophobicContact CZ3-CG1 4.12Å; V169-W190 HydrophobicContact CB-CD2 4.02Å; V169-W190 HydrophobicContact CB-CG 4.1Å; V169-W190 HydrophobicContact CG1-CD2 3.94Å; V169-W190 HydrophobicContact CG1-CE3 4.04Å; V169-W190 HydrophobicContact CG1-CG 4.45Å; V169-W190 HydrophobicContact CG1-CH2 4.41Å; V169-W190 HydrophobicContact CG1-CZ2 4.26Å; V169-W190 HydrophobicContact CG1-CZ3 4.29Å; V169-W190 HydrophobicContact CG2-CB 3.82Å; V169-W190 HydrophobicContact CG2-CD2 3.91Å; V169-W190 HydrophobicContact CG2-CG 3.52Å; V169-V195 HydrophobicContact CG2-CG1 3.93Å; V169-V195 HydrophobicContact CG2-CG2 4.5Å; V169-R199 PolarHBondContact N-O 3.46Å; V169-R199 VanDerWaalsContact O-O 3.12Å; V169-V200 HydrophobicContact CG2-CB 4.31Å; V169-V200 HydrophobicContact CG2-CG1 4.28Å; V169-V200 HydrophobicContact CG2-CG2 3.86Å; V169-V200 CarbonylContact O-C 3.4Å; V169-V200 WeakPolarHBondContact O-CA 3.48Å; V169-L201 PolarHBondContact O-N 3.28Å; V169-E223 CarbonylContact C-O 3.53Å; V169-E223 VanDerWaalsContact CA-O 3.25Å; V169-E223 WeakPolarHBondContact CA-O 3.3Å; V169-I224 HydrophobicContact CG1-CG1 4.33Å; V169-I224 HydrophobicContact CG1-CG2 4.49Å
170	S	97.6	Very high	93	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	166.6	176.4	60.4	0	0	0	0	112.7	L201 F203 N208 T222 E223	S170-L201 CarbonylContact C-O 3.59Å; S170-L201 WeakPolarHBondContact CA-O 3.36Å; S170-F203 VanDerWaalsContact CB-CD2 3.45Å; S170-N208 VanDerWaalsContact CB-OD1 3.27Å; S170-N208 WeakPolarHBondContact CB-OD1 3.47Å; S170-N208 PolarHBondContact OG-ND2 2.68Å; S170-N208 VanDerWaalsContact OG-ND2 3.13Å; S170-N208 PolarHBondContact OG-OD1 2.62Å; S170-T222 VanDerWaalsContact O-CB 3.26Å; S170-T222 WeakPolarHBondContact O-CB 3.4Å; S170-T222 PolarHBondContact O-OG1 2.82Å; S170-E223 PolarHBondContact N-O 2.81Å; S170-E223 WeakPolarHBondContact OG-CB 3.4Å; S170-E223 PolarHBondContact OG-N 2.86Å; S170-E223 PolarHBondContact OG-O 2.95Å
171	Y	97.4	Very high	92.9	Very high	30 Å²	30	55.8 Å²	55.8	12%	0.118	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.2	166.4	73.5	-78.6	0	0	0	109.8	D173 L184 R187 V200 L201 S202 F203 N208	Y171-D173 PolarHBondContact O-N 2.82Å; Y171-L184 HydrophobicContact CE2-CD2 3.98Å; Y171-R187 HydrophobicContact CD1-CB 3.98Å; Y171-R187 HydrophobicContact CD1-CG 4.11Å; Y171-R187 HydrophobicContact CD2-CB 4.08Å; Y171-R187 HydrophobicContact CE1-CB 4.27Å; Y171-R187 HydrophobicContact CE1-CG 4.02Å; Y171-R187 HydrophobicContact CE2-CB 4.35Å; Y171-R187 HydrophobicContact CG-CB 3.88Å; Y171-V200 HydrophobicContact CD1-CG1 3.78Å; Y171-V200 HydrophobicContact CE1-CG1 4.17Å; Y171-L201 WeakPolarHBondContact CD1-O 3.43Å; Y171-L201 PolarHBondContact N-O 2.92Å; Y171-S202 WeakPolarHBondContact CE2-OG 3.49Å; Y171-S202 PolarHBondContact OH-OG 3.39Å; Y171-F203 PolarHBondContact O-N 3.33Å; Y171-N208 VanDerWaalsContact C-OD1 3.31Å; Y171-N208 PolarHBondContact O-OD1 3.04Å; Y171-N208 VanDerWaalsContact O-OD1 3.11Å
172	F	97.4	Very high	92.9	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.018	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	122.5	-179.4	179.8	-122.7	0	0	0	112.2	G174 D175 L180 P182 D183 P205 N208 F209 P220	F172-G174 VanDerWaalsContact C-N 3.28Å; F172-G174 VanDerWaalsContact CZ-CA 3.43Å; F172-G174 PolarHBondContact O-N 2.56Å; F172-D175 HydrophobicContact CZ-CB 4.17Å; F172-L180 HydrophobicContact CE1-CB 3.97Å; F172-L180 HydrophobicContact CE1-CD1 4.41Å; F172-L180 HydrophobicContact CZ-CB 4.17Å; F172-L180 HydrophobicContact CZ-CD1 4.19Å; F172-P182 CarbonylContact O-C 3.51Å; F172-P182 WeakPolarHBondContact O-CA 3.43Å; F172-D183 HydrophobicContact CB-CB 4.01Å; F172-D183 PolarHBondContact O-N 2.82Å; F172-P205 HydrophobicContact CE2-CB 3.98Å; F172-N208 HydrophobicContact CB-CB 3.91Å; F172-N208 HydrophobicContact CD2-CB 4.06Å; F172-N208 VanDerWaalsContact CD2-O 3.3Å; F172-N208 WeakPolarHBondContact CD2-O 3.5Å; F172-N208 HydrophobicContact CG-CB 4.47Å; F172-F209 HydrophobicContact CD2-CB 4.39Å; F172-F209 HydrophobicContact CE1-CD2 4.27Å; F172-F209 HydrophobicContact CE2-CB 3.97Å; F172-F209 HydrophobicContact CE2-CD2 4.3Å; F172-F209 HydrophobicContact CZ-CB 4.43Å; F172-F209 AromaticContact CZ-CD2 3.96Å; F172-F209 HydrophobicContact CZ-CD2 3.96Å; F172-P220 HydrophobicContact CB-CB 3.93Å; F172-P220 HydrophobicContact CD1-CB 3.7Å; F172-P220 HydrophobicContact CE1-CB 4.44Å; F172-P220 HydrophobicContact CG-CB 3.95Å
173	D	95	Very high	93	Very high	84 Å²	84	55.9 Å²	55.9	45%	0.449	31%	0.308	S	S	.	.			trans	-83.6	1.9	-178.3	-154.3	42.5	0	0	0	113.7	Y171 P182 S202 F203	Y171-D173 PolarHBondContact O-N 2.82Å; D173-P182 WeakPolarHBondContact O-CG 3.46Å; D173-S202 WeakPolarHBondContact CB-OG 3.3Å; D173-S202 PolarHBondContact OD1-OG 3.15Å; D173-F203 WeakPolarHBondContact CB-O 3.37Å; D173-F203 PolarHBondContact N-O 2.9Å
174	G	93	Very high	93.2	Very high	7 Å²	7	56.9 Å²	56.9	7%	0.072	31%	0.31	C	S	.	.			trans	92.9	168.7	-177	0	0	0	0	0	114	F172 L180	F172-G174 VanDerWaalsContact C-N 3.28Å; F172-G174 VanDerWaalsContact CZ-CA 3.43Å; F172-G174 PolarHBondContact O-N 2.56Å; G174-L180 CarbonylContact C-O 3.56Å; G174-L180 WeakPolarHBondContact CA-O 3.46Å
175	D	92.3	Very high	93.3	Very high	35 Å²	35	58.5 Å²	58.5	19%	0.187	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-138.7	95.2	168.6	-177.5	-0.7	0	0	0	109.4	F172 K177 A178 G179 L180 P205	F172-D175 HydrophobicContact CZ-CB 4.17Å; D175-K177 PolarHBondContact O-N 2.71Å; D175-K177 VanDerWaalsContact O-N 3.12Å; D175-K177 WeakPolarHBondContact OD1-CB 3.12Å; D175-K177 PolarHBondContact OD1-N 2.94Å; D175-A178 HydrophobicContact CB-CB 4.09Å; D175-A178 CarbonylContact O-C 3.59Å; D175-A178 PolarHBondContact O-N 3.01Å; D175-A178 VanDerWaalsContact O-N 3.08Å; D175-A178 PolarHBondContact OD1-N 3.25Å; D175-A178 WeakPolarHBondContact OD2-CB 3.44Å; D175-G179 PolarHBondContact O-N 2.84Å; D175-L180 CarbonylContact C-O 3.53Å; D175-L180 HydrophobicContact CB-CB 4.25Å; D175-L180 HydrophobicContact CB-CD1 4.34Å; D175-L180 PolarHBondContact N-O 2.89Å; D175-L180 PolarHBondContact O-N 3.21Å; D175-P205 HydrophobicContact CB-CB 4.08Å; D175-P205 HydrophobicContact CB-CG 3.97Å
176	P	88.3	Confident	93.6	Very high	126 Å²	126	53.6 Å²	53.6	82%	0.818	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.4	178.6	-26.2	34.9	0	0	0	113.9
177	K	85.1	Confident	93.8	Very high	204 Å²	204	54 Å²	54	89%	0.887	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-33.8	178.7	-63.8	178.7	-179.8	173.2	0	111.8	D175	D175-K177 PolarHBondContact O-N 2.71Å; D175-K177 VanDerWaalsContact O-N 3.12Å; D175-K177 WeakPolarHBondContact OD1-CB 3.12Å; D175-K177 PolarHBondContact OD1-N 2.94Å
178	A	81.8	Confident	93.9	Very high	46 Å²	46	57.5 Å²	57.5	38%	0.38	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-1.8	176.2	0	0	0	0	0	113.1	D175 L180	D175-A178 HydrophobicContact CB-CB 4.09Å; D175-A178 CarbonylContact O-C 3.59Å; D175-A178 PolarHBondContact O-N 3.01Å; D175-A178 VanDerWaalsContact O-N 3.08Å; D175-A178 PolarHBondContact OD1-N 3.25Å; D175-A178 WeakPolarHBondContact OD2-CB 3.44Å; A178-L180 VanDerWaalsContact C-N 3.35Å; A178-L180 HydrophobicContact CB-CD1 4.01Å; A178-L180 HydrophobicContact CB-CG 4.05Å
179	G	86.4	Confident	94	Very high	62 Å²	62	56.2 Å²	56.2	64%	0.639	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	29	-176.9	0	0	0	0	0	113.4	D175	D175-G179 PolarHBondContact O-N 2.84Å
180	L	90.8	Very high	94	Very high	22 Å²	22	56.2 Å²	56.2	12%	0.115	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-102	126.2	-179	-62.9	173.1	0	0	0	110.7	F172 G174 D175 A178 F209 L256	F172-L180 HydrophobicContact CE1-CB 3.97Å; F172-L180 HydrophobicContact CE1-CD1 4.41Å; F172-L180 HydrophobicContact CZ-CB 4.17Å; F172-L180 HydrophobicContact CZ-CD1 4.19Å; G174-L180 CarbonylContact C-O 3.56Å; G174-L180 WeakPolarHBondContact CA-O 3.46Å; D175-L180 CarbonylContact C-O 3.53Å; D175-L180 HydrophobicContact CB-CB 4.25Å; D175-L180 HydrophobicContact CB-CD1 4.34Å; D175-L180 PolarHBondContact N-O 2.89Å; D175-L180 PolarHBondContact O-N 3.21Å; A178-L180 VanDerWaalsContact C-N 3.35Å; A178-L180 HydrophobicContact CB-CD1 4.01Å; A178-L180 HydrophobicContact CB-CG 4.05Å; L180-F209 HydrophobicContact CD1-CD2 3.76Å; L180-F209 HydrophobicContact CD1-CE2 3.31Å; L180-F209 HydrophobicContact CD1-CZ 3.88Å; L180-L256 HydrophobicContact CD1-CD1 3.89Å; L180-L256 HydrophobicContact CD2-CD1 4.23Å; L180-L256 HydrophobicContact CG-CD1 4.34Å
181	E	93.8	Very high	94	Very high	158 Å²	158	59.4 Å²	59.4	74%	0.738	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-79.5	156.9	177.8	-66.1	-61.1	139.7	0	0	112.4
182	P	95.4	Very high	94	Very high	49 Å²	49	62.2 Å²	62.2	32%	0.318	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-60.8	140.5	172.9	-16.2	26.5	0	0	0	112.6	F172 D173 L184	F172-P182 CarbonylContact O-C 3.51Å; F172-P182 WeakPolarHBondContact O-CA 3.43Å; D173-P182 WeakPolarHBondContact O-CG 3.46Å; P182-L184 VanDerWaalsContact C-N 3.29Å; P182-L184 HydrophobicContact CB-CD2 3.95Å; P182-L184 HydrophobicContact CB-CG 4.26Å; P182-L184 PolarHBondContact O-N 2.77Å
183	D	96.1	Very high	94	Very high	10 Å²	10	64.4 Å²	64.4	5%	0.053	36%	0.359	C	S	.	.			trans	-83.7	68.1	177.9	-170.3	7.7	0	0	0	112	K145 F172 E185 T186 R187	K145-D183 WeakPolarHBondContact CE-OD2 3.48Å; K145-D183 VanDerWaalsContact NZ-CG 3.32Å; K145-D183 IonicContact NZ-OD1 3.46Å; K145-D183 PolarHBondContact NZ-OD1 3.32Å; K145-D183 IonicContact NZ-OD2 3.61Å; K145-D183 PolarHBondContact NZ-OD2 2.79Å; F172-D183 HydrophobicContact CB-CB 4.01Å; F172-D183 PolarHBondContact O-N 2.82Å; D183-E185 PolarHBondContact O-N 2.86Å; D183-T186 PolarHBondContact O-N 3.26Å; D183-T186 PolarHBondContact OD1-N 3.02Å; D183-T186 PolarHBondContact OD1-OG1 2.99Å; D183-T186 WeakPolarHBondContact OD2-CB 3.42Å; D183-T186 PolarHBondContact OD2-OG1 2.65Å; D183-R187 PolarHBondContact O-N 3.23Å
184	L	97.3	Very high	94	Very high	76 Å²	76	63.2 Å²	63.2	40%	0.398	37%	0.366	S	S	.	.	H	α-helix	trans	-66.8	-23.5	-179.5	-57.1	-172.6	0	0	0	113.2	Y171 P182 R187 D188	Y171-L184 HydrophobicContact CE2-CD2 3.98Å; P182-L184 VanDerWaalsContact C-N 3.29Å; P182-L184 HydrophobicContact CB-CD2 3.95Å; P182-L184 HydrophobicContact CB-CG 4.26Å; P182-L184 PolarHBondContact O-N 2.77Å; L184-R187 WeakPolarHBondContact O-CB 3.44Å; L184-R187 PolarHBondContact O-N 3.2Å; L184-D188 VanDerWaalsContact O-CG 3.26Å; L184-D188 PolarHBondContact O-N 3.3Å
185	E	96.8	Very high	94.1	Very high	106 Å²	106	63.1 Å²	63.1	50%	0.495	36%	0.364	S	S	.	.	H	α-helix	trans	-60.9	-49.3	175.6	-177.5	-173.4	-173.4	0	0	110.6	K145 D183 R187 D188 I189	K145-E185 HydrophobicContact CD-CB 4.47Å; K145-E185 HydrophobicContact CD-CG 4.11Å; K145-E185 WeakPolarHBondContact CD-OE2 3.38Å; K145-E185 IonicContact NZ-OE2 3.38Å; K145-E185 PolarHBondContact NZ-OE2 3.42Å; D183-E185 PolarHBondContact O-N 2.86Å; E185-R187 VanDerWaalsContact C-N 3.33Å; E185-R187 PolarHBondContact O-N 2.86Å; E185-D188 PolarHBondContact O-N 3.43Å; E185-I189 HydrophobicContact CG-CD1 4.04Å; E185-I189 VanDerWaalsContact O-CG1 3.32Å; E185-I189 WeakPolarHBondContact O-CG1 3.19Å; E185-I189 PolarHBondContact O-N 3.31Å
186	T	97.2	Very high	94.3	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-63.7	-38.4	178.4	-62.4	0	0	0	0	112.1	K145 D183 D188 I189 W190 T222 F245	K145-T186 WeakPolarHBondContact CD-OG1 3.49Å; D183-T186 PolarHBondContact O-N 3.26Å; D183-T186 PolarHBondContact OD1-N 3.02Å; D183-T186 PolarHBondContact OD1-OG1 2.99Å; D183-T186 WeakPolarHBondContact OD2-CB 3.42Å; D183-T186 PolarHBondContact OD2-OG1 2.65Å; T186-D188 VanDerWaalsContact C-N 3.35Å; T186-D188 PolarHBondContact O-N 3.37Å; T186-I189 PolarHBondContact O-N 3.28Å; T186-W190 PolarHBondContact O-N 3.3Å; T186-W190 VanDerWaalsContact O-N 3.1Å; T186-T222 HydrophobicContact CG2-CG2 3.72Å; T186-F245 HydrophobicContact CG2-CE2 4.15Å
187	R	97.8	Very high	94.6	Very high	73 Å²	73	61.8 Å²	61.8	28%	0.275	36%	0.364	S	S	.	.	H	α-helix	trans	-56.4	-49.4	172.4	-178.6	-158.4	69.5	-163.4	-6	111.1	Y171 D183 L184 E185 I189 W190 L191 V200	Y171-R187 HydrophobicContact CD1-CB 3.98Å; Y171-R187 HydrophobicContact CD1-CG 4.11Å; Y171-R187 HydrophobicContact CD2-CB 4.08Å; Y171-R187 HydrophobicContact CE1-CB 4.27Å; Y171-R187 HydrophobicContact CE1-CG 4.02Å; Y171-R187 HydrophobicContact CE2-CB 4.35Å; Y171-R187 HydrophobicContact CG-CB 3.88Å; D183-R187 PolarHBondContact O-N 3.23Å; L184-R187 WeakPolarHBondContact O-CB 3.44Å; L184-R187 PolarHBondContact O-N 3.2Å; E185-R187 VanDerWaalsContact C-N 3.33Å; E185-R187 PolarHBondContact O-N 2.86Å; R187-I189 VanDerWaalsContact C-N 3.35Å; R187-W190 PolarHBondContact O-N 3.34Å; R187-L191 HydrophobicContact CG-CD1 4.36Å; R187-L191 WeakPolarHBondContact O-CG 3.15Å; R187-L191 PolarHBondContact O-N 2.74Å; R187-L191 VanDerWaalsContact O-N 3.11Å; R187-V200 HydrophobicContact CG-CG1 3.9Å
188	D	98.3	Very high	95.1	Very high	75 Å²	75	57.6 Å²	57.6	40%	0.401	36%	0.355	S	S	.	.	H	α-helix	trans	-69.1	-34.8	-175.7	-68.1	-14.3	0	0	0	111.9	L184 E185 T186 L191 S192	L184-D188 VanDerWaalsContact O-CG 3.26Å; L184-D188 PolarHBondContact O-N 3.3Å; E185-D188 PolarHBondContact O-N 3.43Å; T186-D188 VanDerWaalsContact C-N 3.35Å; T186-D188 PolarHBondContact O-N 3.37Å; D188-L191 PolarHBondContact O-N 2.99Å; D188-S192 WeakPolarHBondContact O-CB 3.49Å; D188-S192 PolarHBondContact O-N 3.25Å
189	I	98.3	Very high	95.7	Very high	14 Å²	14	58.4 Å²	58.4	7%	0.072	35%	0.348	C	S	.	.	H	α-helix	trans	-58.1	-50	170.7	-70.4	161	0	0	0	110.4	K145 E146 C149 E185 T186 R187 L191 S192 L193	K145-I189 HydrophobicContact CB-CD1 3.6Å; E146-I189 HydrophobicContact CB-CD1 4.08Å; E146-I189 HydrophobicContact CB-CG1 4.37Å; C149-I189 HydrophobicContact CB-CG2 3.63Å; E185-I189 HydrophobicContact CG-CD1 4.04Å; E185-I189 VanDerWaalsContact O-CG1 3.32Å; E185-I189 WeakPolarHBondContact O-CG1 3.19Å; E185-I189 PolarHBondContact O-N 3.31Å; T186-I189 PolarHBondContact O-N 3.28Å; R187-I189 VanDerWaalsContact C-N 3.35Å; I189-L191 VanDerWaalsContact C-N 3.34Å; I189-L191 PolarHBondContact O-N 2.95Å; I189-S192 WeakPolarHBondContact O-CB 3.41Å; I189-S192 PolarHBondContact O-N 2.81Å; I189-S192 VanDerWaalsContact O-N 3.1Å; I189-S192 PolarHBondContact O-OG 3.24Å; I189-L193 HydrophobicContact CG2-CD1 4.1Å; I189-L193 WeakPolarHBondContact O-CG 3.12Å; I189-L193 PolarHBondContact O-N 2.8Å
190	W	98.3	Very high	96.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.3	-40.5	179.1	-73.3	128.7	0	0	0	113.5	C149 W153 V169 T186 R187 S192 L193 G194 V195 V200 T222 I224	C149-W190 HydrophobicContact CB-CD2 4.49Å; C149-W190 HydrophobicContact CB-CE3 4.33Å; C149-W190 HydrophobicContact CB-CH2 3.66Å; C149-W190 HydrophobicContact CB-CZ2 3.86Å; C149-W190 HydrophobicContact CB-CZ3 3.92Å; C149-W190 WeakPolarHBondContact SG-CZ2 3.49Å; W153-W190 HydrophobicContact CB-CZ3 4.21Å; W153-W190 HydrophobicContact CD2-CZ3 4.4Å; W153-W190 HydrophobicContact CE3-CE3 4.49Å; W153-W190 AromaticContact CE3-CZ3 3.92Å; W153-W190 HydrophobicContact CE3-CZ3 3.92Å; V169-W190 HydrophobicContact CB-CD2 4.02Å; V169-W190 HydrophobicContact CB-CG 4.1Å; V169-W190 HydrophobicContact CG1-CD2 3.94Å; V169-W190 HydrophobicContact CG1-CE3 4.04Å; V169-W190 HydrophobicContact CG1-CG 4.45Å; V169-W190 HydrophobicContact CG1-CH2 4.41Å; V169-W190 HydrophobicContact CG1-CZ2 4.26Å; V169-W190 HydrophobicContact CG1-CZ3 4.29Å; V169-W190 HydrophobicContact CG2-CB 3.82Å; V169-W190 HydrophobicContact CG2-CD2 3.91Å; V169-W190 HydrophobicContact CG2-CG 3.52Å; T186-W190 PolarHBondContact O-N 3.3Å; T186-W190 VanDerWaalsContact O-N 3.1Å; R187-W190 PolarHBondContact O-N 3.34Å; W190-S192 VanDerWaalsContact C-N 3.3Å; W190-S192 PolarHBondContact O-N 3.32Å; W190-L193 HydrophobicContact CE3-CD1 3.73Å; W190-L193 HydrophobicContact CZ3-CD1 3.78Å; W190-L193 PolarHBondContact O-N 3.48Å; W190-G194 PolarHBondContact O-N 3.24Å; W190-V195 HydrophobicContact CB-CB 4.45Å; W190-V195 HydrophobicContact CB-CG2 4.37Å; W190-V195 HydrophobicContact CE3-CG2 4.18Å; W190-V195 WeakPolarHBondContact O-CB 3.02Å; W190-V195 WeakPolarHBondContact O-CG2 3.38Å; W190-V195 PolarHBondContact O-N 2.88Å; W190-V195 VanDerWaalsContact O-N 3.12Å; W190-V200 HydrophobicContact CB-CG2 4.35Å; W190-T222 HydrophobicContact CZ2-CG2 4.06Å; W190-T222 PolarHBondContact NE1-OG1 2.98Å; W190-I224 HydrophobicContact CH2-CD1 3.87Å; W190-I224 HydrophobicContact CH2-CG1 4.11Å; W190-I224 HydrophobicContact CZ2-CD1 4.39Å; W190-I224 HydrophobicContact CZ2-CG1 4.2Å
191	L	97.8	Very high	96.4	Very high	67 Å²	67	57.2 Å²	57.2	35%	0.351	33%	0.328	S	S	.	.	H	α-helix	trans	-61.9	-40.5	174.5	-66.4	174	0	0	0	111.2	R187 D188 I189 L193 G194 A197 V200	R187-L191 HydrophobicContact CG-CD1 4.36Å; R187-L191 WeakPolarHBondContact O-CG 3.15Å; R187-L191 PolarHBondContact O-N 2.74Å; R187-L191 VanDerWaalsContact O-N 3.11Å; D188-L191 PolarHBondContact O-N 2.99Å; I189-L191 VanDerWaalsContact C-N 3.34Å; I189-L191 PolarHBondContact O-N 2.95Å; L191-L193 VanDerWaalsContact C-N 3.31Å; L191-L193 PolarHBondContact O-N 3.43Å; L191-G194 PolarHBondContact O-N 2.91Å; L191-G194 VanDerWaalsContact O-N 3.08Å; L191-A197 HydrophobicContact CD2-CB 3.92Å; L191-V200 HydrophobicContact CD2-CG2 4.03Å
192	S	97.6	Very high	96.5	Very high	89 Å²	89	51.8 Å²	51.8	62%	0.622	31%	0.308	S	S	*	.	H	α-helix	trans	-66.7	-31.5	178	81.4	0	0	0	0	113.2	D188 I189 W190 G194	D188-S192 WeakPolarHBondContact O-CB 3.49Å; D188-S192 PolarHBondContact O-N 3.25Å; I189-S192 WeakPolarHBondContact O-CB 3.41Å; I189-S192 PolarHBondContact O-N 2.81Å; I189-S192 VanDerWaalsContact O-N 3.1Å; I189-S192 PolarHBondContact O-OG 3.24Å; W190-S192 VanDerWaalsContact C-N 3.3Å; W190-S192 PolarHBondContact O-N 3.32Å; S192-G194 PolarHBondContact O-N 3.23Å
193	L	96.4	Very high	96.5	Very high	50 Å²	50	52 Å²	52	26%	0.262	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-2.9	173.5	-68.1	173.4	0	0	0	113.1	C149 W153 I189 W190 L191	C149-L193 HydrophobicContact CB-CD1 3.96Å; W153-L193 HydrophobicContact CB-CD1 4.41Å; I189-L193 HydrophobicContact CG2-CD1 4.1Å; I189-L193 WeakPolarHBondContact O-CG 3.12Å; I189-L193 PolarHBondContact O-N 2.8Å; W190-L193 HydrophobicContact CE3-CD1 3.73Å; W190-L193 HydrophobicContact CZ3-CD1 3.78Å; W190-L193 PolarHBondContact O-N 3.48Å; L191-L193 VanDerWaalsContact C-N 3.31Å; L191-L193 PolarHBondContact O-N 3.43Å
194	G	94.8	Very high	96.4	Very high	58 Å²	58	52.6 Å²	52.6	60%	0.598	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	12.4	175.1	0	0	0	0	0	114.5	W190 L191 S192 P196	W190-G194 PolarHBondContact O-N 3.24Å; L191-G194 PolarHBondContact O-N 2.91Å; L191-G194 VanDerWaalsContact O-N 3.08Å; S192-G194 PolarHBondContact O-N 3.23Å; G194-P196 WeakPolarHBondContact O-CD 3.27Å
195	V	96.3	Very high	96	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.03	31%	0.308	C	S	.	.			trans	-70.9	126.7	173	-173	0	0	0	0	109	W153 V169 W190 R199 V200	W153-V195 HydrophobicContact CE3-CG2 4.47Å; W153-V195 HydrophobicContact CH2-CG2 3.71Å; W153-V195 HydrophobicContact CZ2-CG2 3.88Å; W153-V195 HydrophobicContact CZ3-CG2 4.01Å; V169-V195 HydrophobicContact CG2-CG1 3.93Å; V169-V195 HydrophobicContact CG2-CG2 4.5Å; W190-V195 HydrophobicContact CB-CB 4.45Å; W190-V195 HydrophobicContact CB-CG2 4.37Å; W190-V195 HydrophobicContact CE3-CG2 4.18Å; W190-V195 WeakPolarHBondContact O-CB 3.02Å; W190-V195 WeakPolarHBondContact O-CG2 3.38Å; W190-V195 PolarHBondContact O-N 2.88Å; W190-V195 VanDerWaalsContact O-N 3.12Å; V195-R199 HydrophobicContact CG1-CB 4.15Å; V195-V200 HydrophobicContact CB-CG2 4.27Å; V195-V200 HydrophobicContact CG1-CG2 3.88Å
196	P	95.6	Very high	95.6	Very high	61 Å²	61	54.8 Å²	54.8	40%	0.396	32%	0.324	S	S	.	.			trans	-62.2	140.9	177	-22.1	33.1	0	0	0	111.5	G194 T198 R199	G194-P196 WeakPolarHBondContact O-CD 3.27Å; P196-T198 PolarHBondContact O-N 3.32Å; P196-R199 WeakPolarHBondContact O-CA 3.35Å; P196-R199 PolarHBondContact O-N 2.83Å
197	A	95.6	Very high	95.2	Very high	73 Å²	73	59 Å²	59	60%	0.603	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-55.6	-29.3	179.8	0	0	0	0	0	113.9	L191 R199 V200	L191-A197 HydrophobicContact CD2-CB 3.92Å; A197-R199 PolarHBondContact O-N 3.49Å; A197-V200 PolarHBondContact O-N 2.81Å
198	T	93.9	Very high	95.1	Very high	116 Å²	116	55.6 Å²	55.6	71%	0.712	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-68.9	-12.1	175.7	53	0	0	0	0	114.1	W168 P196	W168-T198 WeakPolarHBondContact CZ3-O 3.4Å; P196-T198 PolarHBondContact O-N 3.32Å
199	R	94.8	Very high	94.9	Very high	62 Å²	62	52.7 Å²	52.7	23%	0.234	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-112.8	8.5	177.9	-60.7	-165.4	-178	132.5	-5.1	114	E165 L167 W168 V169 V195 P196 A197	E165-R199 VanDerWaalsContact CA-NH1 3.31Å; E165-R199 PolarHBondContact O-NH2 3.18Å; E165-R199 VanDerWaalsContact O-NH2 3.1Å; L167-R199 WeakPolarHBondContact O-CD 3.22Å; W168-R199 HydrophobicContact CD2-CB 3.88Å; W168-R199 HydrophobicContact CD2-CG 3.78Å; W168-R199 VanDerWaalsContact CE3-CA 3.46Å; W168-R199 HydrophobicContact CE3-CB 3.79Å; W168-R199 HydrophobicContact CE3-CG 3.87Å; W168-R199 HydrophobicContact CG-CB 4.28Å; W168-R199 HydrophobicContact CG-CG 4.42Å; W168-R199 HydrophobicContact CH2-CG 3.98Å; W168-R199 HydrophobicContact CZ2-CG 3.92Å; W168-R199 HydrophobicContact CZ3-CB 4.22Å; W168-R199 HydrophobicContact CZ3-CG 3.96Å; V169-R199 PolarHBondContact N-O 3.46Å; V169-R199 VanDerWaalsContact O-O 3.12Å; V195-R199 HydrophobicContact CG1-CB 4.15Å; P196-R199 WeakPolarHBondContact O-CA 3.35Å; P196-R199 PolarHBondContact O-N 2.83Å; A197-R199 PolarHBondContact O-N 3.49Å
200	V	96.8	Very high	94.6	Very high	19 Å²	19	53.6 Å²	53.6	12%	0.115	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	101.4	171.8	-175.5	0	0	0	0	107.5	V169 Y171 R187 W190 L191 V195 A197	V169-V200 HydrophobicContact CG2-CB 4.31Å; V169-V200 HydrophobicContact CG2-CG1 4.28Å; V169-V200 HydrophobicContact CG2-CG2 3.86Å; V169-V200 CarbonylContact O-C 3.4Å; V169-V200 WeakPolarHBondContact O-CA 3.48Å; Y171-V200 HydrophobicContact CD1-CG1 3.78Å; Y171-V200 HydrophobicContact CE1-CG1 4.17Å; R187-V200 HydrophobicContact CG-CG1 3.9Å; W190-V200 HydrophobicContact CB-CG2 4.35Å; L191-V200 HydrophobicContact CD2-CG2 4.03Å; V195-V200 HydrophobicContact CB-CG2 4.27Å; V195-V200 HydrophobicContact CG1-CG2 3.88Å; A197-V200 PolarHBondContact O-N 2.81Å
201	L	96.1	Very high	94.2	Very high	40 Å²	40	54.6 Å²	54.6	21%	0.209	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	145.3	-175.5	-56	177.1	0	0	0	110.4	W168 V169 S170 Y171 F203 L237	W168-L201 HydrophobicContact CE3-CD1 4.25Å; W168-L201 HydrophobicContact CE3-CD2 3.97Å; W168-L201 HydrophobicContact CE3-CG 4.19Å; W168-L201 HydrophobicContact CZ3-CD2 4.07Å; V169-L201 PolarHBondContact O-N 3.28Å; S170-L201 CarbonylContact C-O 3.59Å; S170-L201 WeakPolarHBondContact CA-O 3.36Å; Y171-L201 WeakPolarHBondContact CD1-O 3.43Å; Y171-L201 PolarHBondContact N-O 2.92Å; L201-F203 HydrophobicContact CB-CD1 4.48Å; L201-F203 HydrophobicContact CB-CE1 3.88Å; L201-F203 HydrophobicContact CB-CE2 4.45Å; L201-F203 HydrophobicContact CB-CZ 3.88Å; L201-F203 HydrophobicContact CD1-CE1 4.13Å; L201-F203 HydrophobicContact CD1-CE2 4.44Å; L201-F203 HydrophobicContact CD1-CZ 3.6Å; L201-F203 HydrophobicContact CG-CZ 4.38Å; L201-L237 HydrophobicContact CD1-CD1 3.54Å
202	S	95.3	Very high	93.3	Very high	45 Å²	45	51.5 Å²	51.5	32%	0.315	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.2	171.6	-153	0	0	0	0	109.2	Y171 D173	Y171-S202 WeakPolarHBondContact CE2-OG 3.49Å; Y171-S202 PolarHBondContact OH-OG 3.39Å; D173-S202 WeakPolarHBondContact CB-OG 3.3Å; D173-S202 PolarHBondContact OD1-OG 3.15Å
203	F	95.2	Very high	92.5	Very high	54 Å²	54	47.8 Å²	47.8	24%	0.237	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	153.5	175.2	-53.9	-40.5	0	0	0	112.9	S170 Y171 D173 L201 E207 N208 H225	S170-F203 VanDerWaalsContact CB-CD2 3.45Å; Y171-F203 PolarHBondContact O-N 3.33Å; D173-F203 WeakPolarHBondContact CB-O 3.37Å; D173-F203 PolarHBondContact N-O 2.9Å; L201-F203 HydrophobicContact CB-CD1 4.48Å; L201-F203 HydrophobicContact CB-CE1 3.88Å; L201-F203 HydrophobicContact CB-CE2 4.45Å; L201-F203 HydrophobicContact CB-CZ 3.88Å; L201-F203 HydrophobicContact CD1-CE1 4.13Å; L201-F203 HydrophobicContact CD1-CE2 4.44Å; L201-F203 HydrophobicContact CD1-CZ 3.6Å; L201-F203 HydrophobicContact CG-CZ 4.38Å; F203-E207 HydrophobicContact CB-CB 3.78Å; F203-E207 HydrophobicContact CB-CG 4.32Å; F203-E207 HydrophobicContact CD2-CB 4.04Å; F203-E207 HydrophobicContact CG-CB 4.18Å; F203-N208 HydrophobicContact CB-CB 4.34Å; F203-N208 WeakPolarHBondContact CB-OD1 3.49Å; F203-N208 WeakPolarHBondContact CD2-OD1 3.27Å; F203-H225 AromaticContact CE2-NE2 3.65Å
204	G	93.6	Very high	91.5	Very high	22 Å²	22	51.6 Å²	51.6	23%	0.227	30%	0.302	C	S	.	.			trans	-81	-169.7	-177.6	0	0	0	0	0	113.4	Q206 E207 N208	G204-Q206 PolarHBondContact O-N 2.99Å; G204-E207 PolarHBondContact N-OE2 3Å; G204-E207 PolarHBondContact O-N 3.45Å; G204-N208 PolarHBondContact O-N 3.28Å
205	P	89.1	Confident	90.9	Very high	49 Å²	49	51.3 Å²	51.3	32%	0.318	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-8.9	-177.7	27.6	-35.7	0	0	0	115	F172 D175 F209	F172-P205 HydrophobicContact CE2-CB 3.98Å; D175-P205 HydrophobicContact CB-CB 4.08Å; D175-P205 HydrophobicContact CB-CG 3.97Å; P205-F209 HydrophobicContact CB-CB 4.11Å
206	Q	88.3	Confident	90.5	Very high	179 Å²	179	51.5 Å²	51.5	84%	0.836	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-33.4	175.3	-66.7	-170.9	-10.3	0	0	111.5	G204	G204-Q206 PolarHBondContact O-N 2.99Å
207	E	89.6	Confident	90.3	Very high	89 Å²	89	48.6 Å²	48.6	42%	0.416	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-51	-177.5	-55.3	81.7	179	0	0	111.9	F203 G204	F203-E207 HydrophobicContact CB-CB 3.78Å; F203-E207 HydrophobicContact CB-CG 4.32Å; F203-E207 HydrophobicContact CD2-CB 4.04Å; F203-E207 HydrophobicContact CG-CB 4.18Å; G204-E207 PolarHBondContact N-OE2 3Å; G204-E207 PolarHBondContact O-N 3.45Å
208	N	95.3	Very high	90.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-102.9	24.2	-172.2	-77.9	149.1	0	0	0	115.2	S170 Y171 F172 F203 G204 P220 C221	S170-N208 VanDerWaalsContact CB-OD1 3.27Å; S170-N208 WeakPolarHBondContact CB-OD1 3.47Å; S170-N208 PolarHBondContact OG-ND2 2.68Å; S170-N208 VanDerWaalsContact OG-ND2 3.13Å; S170-N208 PolarHBondContact OG-OD1 2.62Å; Y171-N208 VanDerWaalsContact C-OD1 3.31Å; Y171-N208 PolarHBondContact O-OD1 3.04Å; Y171-N208 VanDerWaalsContact O-OD1 3.11Å; F172-N208 HydrophobicContact CB-CB 3.91Å; F172-N208 HydrophobicContact CD2-CB 4.06Å; F172-N208 VanDerWaalsContact CD2-O 3.3Å; F172-N208 WeakPolarHBondContact CD2-O 3.5Å; F172-N208 HydrophobicContact CG-CB 4.47Å; F203-N208 HydrophobicContact CB-CB 4.34Å; F203-N208 WeakPolarHBondContact CB-OD1 3.49Å; F203-N208 WeakPolarHBondContact CD2-OD1 3.27Å; G204-N208 PolarHBondContact O-N 3.28Å; N208-P220 WeakPolarHBondContact O-CA 3.17Å; N208-C221 VanDerWaalsContact C-SG 3.57Å; N208-C221 VanDerWaalsContact CA-SG 3.54Å; N208-C221 WeakPolarHBondContact CB-O 3.22Å; N208-C221 PolarHBondContact ND2-O 3.43Å; N208-C221 PolarHBondContact O-N 3.48Å
209	F	93.9	Very high	90.2	Very high	15 Å²	15	39.6 Å²	39.6	7%	0.066	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	106.4	166.6	-165.5	-87	0	0	0	110.1	F172 L180 P205 E211 C218 L256	F172-F209 HydrophobicContact CD2-CB 4.39Å; F172-F209 HydrophobicContact CE1-CD2 4.27Å; F172-F209 HydrophobicContact CE2-CB 3.97Å; F172-F209 HydrophobicContact CE2-CD2 4.3Å; F172-F209 HydrophobicContact CZ-CB 4.43Å; F172-F209 AromaticContact CZ-CD2 3.96Å; F172-F209 HydrophobicContact CZ-CD2 3.96Å; L180-F209 HydrophobicContact CD1-CD2 3.76Å; L180-F209 HydrophobicContact CD1-CE2 3.31Å; L180-F209 HydrophobicContact CD1-CZ 3.88Å; P205-F209 HydrophobicContact CB-CB 4.11Å; F209-E211 HydrophobicContact CD1-CG 3.82Å; F209-E211 HydrophobicContact CE1-CG 3.93Å; F209-E211 WeakPolarHBondContact CE1-OE1 3.24Å; F209-C218 HydrophobicContact CE1-CB 4.11Å; F209-C218 HydrophobicContact CZ-CB 4.5Å; F209-L256 HydrophobicContact CE1-CD1 4.49Å; F209-L256 HydrophobicContact CZ-CD1 3.88Å; F209-L256 HydrophobicContact CZ-CD2 4.39Å
210	W	92.6	Very high	90.3	Very high	33 Å²	33	36.9 Å²	36.9	13%	0.125	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	136.3	-169.9	-171.1	94.4	0	0	0	112.7	A77 M79 M212 C218 G219 C221 V244 M246	A77-W210 HydrophobicContact CB-CH2 4.19Å; A77-W210 HydrophobicContact CB-CZ2 3.85Å; M79-W210 HydrophobicContact CE-CZ3 4.34Å; M79-W210 HydrophobicContact CG-CH2 3.57Å; M79-W210 HydrophobicContact CG-CZ3 4.08Å; M79-W210 HydrophobicContact SD-CH2 4.15Å; M79-W210 HydrophobicContact SD-CZ3 4.47Å; W210-M212 HydrophobicContact CH2-CB 3.46Å; W210-M212 VanDerWaalsContact CH2-CB 3.46Å; W210-M212 HydrophobicContact CH2-CG 4.12Å; W210-M212 HydrophobicContact CZ2-CB 4.37Å; W210-M212 HydrophobicContact CZ3-CB 3.69Å; W210-C218 WeakPolarHBondContact O-CA 3.4Å; W210-C218 VanDerWaalsContact O-CB 3.23Å; W210-C218 WeakPolarHBondContact O-CB 3.4Å; W210-G219 PolarHBondContact N-O 3.17Å; W210-G219 PolarHBondContact O-N 2.9Å; W210-C221 HydrophobicContact CB-CB 4.34Å; W210-V244 HydrophobicContact CB-CB 4.33Å; W210-V244 HydrophobicContact CB-CG1 3.77Å; W210-V244 HydrophobicContact CB-CG2 3.56Å; W210-V244 HydrophobicContact CD2-CG1 4.41Å; W210-V244 HydrophobicContact CD2-CG2 4.02Å; W210-V244 HydrophobicContact CE3-CG1 4.15Å; W210-V244 HydrophobicContact CE3-CG2 4.48Å; W210-V244 HydrophobicContact CG-CG1 4.29Å; W210-V244 HydrophobicContact CG-CG2 3.6Å; W210-M246 HydrophobicContact CE3-CE 4.13Å; W210-M246 HydrophobicContact CH2-CE 4.5Å; W210-M246 HydrophobicContact CZ3-CE 3.68Å
211	E	89	Confident	90.3	Very high	20 Å²	20	36 Å²	36	9%	0.093	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	135.3	178.8	-37.3	-169	104	0	0	111.1	R114 H115 F209 C218 R250	R114-E211 IonicContact CZ-OE2 3.14Å; R114-E211 VanDerWaalsContact CZ-OE2 3.28Å; R114-E211 IonicContact NH1-OE2 3.05Å; R114-E211 PolarHBondContact NH1-OE2 2.7Å; R114-E211 IonicContact NH2-OE2 3.42Å; R114-E211 PolarHBondContact NH2-OE2 2.89Å; H115-E211 PolarHBondContact NE2-O 3.35Å; F209-E211 HydrophobicContact CD1-CG 3.82Å; F209-E211 HydrophobicContact CE1-CG 3.93Å; F209-E211 WeakPolarHBondContact CE1-OE1 3.24Å; E211-C218 HydrophobicContact CB-CB 4.19Å; E211-C218 HydrophobicContact CG-CB 3.93Å; E211-R250 IonicContact OE1-CZ 3.01Å; E211-R250 IonicContact OE1-NE 3.72Å; E211-R250 PolarHBondContact OE1-NE 3.21Å; E211-R250 IonicContact OE1-NH2 3.46Å; E211-R250 PolarHBondContact OE1-NH2 3.47Å; E211-R250 IonicContact OE2-NE 2.74Å; E211-R250 IonicContact OE2-NH2 3.89Å
212	M	79.6	Confident	90.4	Very high	2 Å²	2	34 Å²	34	1%	0.01	19%	0.185	C	C	.	.	S	Bend	trans	-71.6	-38.8	-177.6	-179.8	-86.2	-68.8	0	0	113	L72 N76 M79 N80 K83 W210	L72-M212 HydrophobicContact CD1-CE 4.44Å; L72-M212 HydrophobicContact CD1-SD 3.68Å; L72-M212 HydrophobicContact CD2-SD 3.6Å; L72-M212 VanDerWaalsContact CD2-SD 3.6Å; L72-M212 HydrophobicContact CG-SD 3.87Å; N76-M212 PolarHBondContact ND2-O 3.1Å; M79-M212 HydrophobicContact SD-CB 4.24Å; M79-M212 HydrophobicContact SD-CG 3.98Å; N80-M212 VanDerWaalsContact ND2-CG 3.31Å; N80-M212 WeakPolarHBondContact ND2-CG 3.47Å; K83-M212 HydrophobicContact CD-CE 4.19Å; W210-M212 HydrophobicContact CH2-CB 3.46Å; W210-M212 VanDerWaalsContact CH2-CB 3.46Å; W210-M212 HydrophobicContact CH2-CG 4.12Å; W210-M212 HydrophobicContact CZ2-CB 4.37Å; W210-M212 HydrophobicContact CZ3-CB 3.69Å
213	G	79.7	Confident	90.5	Very high	11 Å²	11	32.9 Å²	32.9	11%	0.113	18%	0.175	C	C	.	.	S	Bend	trans	-158.4	-158.1	-173	0	0	0	0	0	111.6	R114 T215	R114-G213 PolarHBondContact NH1-O 2.75Å; G213-T215 VanDerWaalsContact C-N 3.28Å
214	N	76.8	Confident	90.6	Very high	130 Å²	130	30.3 Å²	30.3	70%	0.695	16%	0.164	S	C	*	.	S	Bend	trans	-75.2	-20.3	178.3	-65.5	-9.2	0	0	0	112.8
215	T	81.9	Confident	90.8	Very high	53 Å²	53	29.9 Å²	29.9	33%	0.325	16%	0.156	S	C	.	.	S	Bend	trans	-142.6	156.7	177.4	58.7	0	0	0	0	109.6	G213 R250 A252	G213-T215 VanDerWaalsContact C-N 3.28Å; T215-R250 CarbonylContact C-O 3.54Å; T215-R250 VanDerWaalsContact CA-O 3.27Å; T215-R250 WeakPolarHBondContact CA-O 3.44Å; T215-R250 WeakPolarHBondContact CB-O 3.39Å; T215-A252 HydrophobicContact CG2-CB 4.24Å
216	G	87.7	Confident	91	Very high	8 Å²	8	28.5 Å²	28.5	8%	0.082	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117	-171.4	175.5	0	0	0	0	0	114.9	N249 R250	G216-N249 WeakPolarHBondContact CA-OD1 3.31Å; G216-N249 PolarHBondContact O-OD1 2.84Å; G216-R250 PolarHBondContact N-O 3.47Å; G216-R250 PolarHBondContact O-N 3.22Å
217	P	90.8	Very high	91.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	136.3	-175.7	-22.6	34.3	0	0	0	112.2	M79 F86 L87 M246 H248 L259	M79-P217 HydrophobicContact CE-CB 4.11Å; M79-P217 HydrophobicContact CE-CG 4.3Å; F86-P217 HydrophobicContact CB-CB 4.12Å; F86-P217 HydrophobicContact CB-CG 3.64Å; F86-P217 HydrophobicContact CD2-CG 4.41Å; F86-P217 HydrophobicContact CG-CG 4.34Å; L87-P217 HydrophobicContact CD2-CG 3.8Å; L87-P217 HydrophobicContact CG-CG 4.3Å; P217-M246 HydrophobicContact CB-SD 4.03Å; P217-H248 CarbonylContact C-O 3.57Å; P217-H248 WeakPolarHBondContact CA-O 3.22Å; P217-L259 HydrophobicContact CB-CD1 4.37Å
218	C	93.4	Very high	91	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.007	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	168.8	-177.1	55.9	0	0	0	0	111.6	F209 W210 E211 Q247 H248 L256	F209-C218 HydrophobicContact CE1-CB 4.11Å; F209-C218 HydrophobicContact CZ-CB 4.5Å; W210-C218 WeakPolarHBondContact O-CA 3.4Å; W210-C218 VanDerWaalsContact O-CB 3.23Å; W210-C218 WeakPolarHBondContact O-CB 3.4Å; E211-C218 HydrophobicContact CB-CB 4.19Å; E211-C218 HydrophobicContact CG-CB 3.93Å; C218-Q247 PolarHBondContact O-N 3.23Å; C218-H248 PolarHBondContact N-O 3.41Å; C218-H248 PolarHBondContact O-N 3.26Å; C218-L256 VanDerWaalsContact SG-CD2 3.51Å
219	G	94.8	Very high	90.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.4	171.4	177.5	0	0	0	0	0	114	W210 F245	W210-G219 PolarHBondContact N-O 3.17Å; W210-G219 PolarHBondContact O-N 2.9Å; G219-F245 WeakPolarHBondContact CA-O 3.29Å
220	P	96.3	Very high	89.5	Confident	4 Å²	4	20 Å²	20	3%	0.026	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	154	171.8	30.9	-35.9	0	0	0	110.2	F172 N208 F245	F172-P220 HydrophobicContact CB-CB 3.93Å; F172-P220 HydrophobicContact CD1-CB 3.7Å; F172-P220 HydrophobicContact CE1-CB 4.44Å; F172-P220 HydrophobicContact CG-CB 3.95Å; N208-P220 WeakPolarHBondContact O-CA 3.17Å; P220-F245 WeakPolarHBondContact CD-O 3.43Å; P220-F245 HydrophobicContact CG-CB 4.47Å; P220-F245 PolarHBondContact O-N 2.97Å
221	C	97.1	Very high	88.3	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	167.3	177.8	73.9	0	0	0	0	112.3	N208 W210 N242 L243 V244	N208-C221 VanDerWaalsContact C-SG 3.57Å; N208-C221 VanDerWaalsContact CA-SG 3.54Å; N208-C221 WeakPolarHBondContact CB-O 3.22Å; N208-C221 PolarHBondContact ND2-O 3.43Å; N208-C221 PolarHBondContact O-N 3.48Å; W210-C221 HydrophobicContact CB-CB 4.34Å; C221-N242 WeakPolarHBondContact CB-OD1 3.2Å; C221-N242 PolarHBondContact SG-OD1 2.91Å; C221-L243 CarbonylContact C-O 3.5Å; C221-L243 WeakPolarHBondContact CA-O 3.45Å; C221-L243 WeakPolarHBondContact CB-O 3.44Å; C221-V244 HydrophobicContact CB-CB 4.13Å; C221-V244 HydrophobicContact CB-CG1 4.4Å; C221-V244 HydrophobicContact CB-CG2 3.8Å
222	T	98.3	Very high	87	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.6	171.6	174.4	0	0	0	0	109	S170 T186 W190 L243 F245	S170-T222 VanDerWaalsContact O-CB 3.26Å; S170-T222 WeakPolarHBondContact O-CB 3.4Å; S170-T222 PolarHBondContact O-OG1 2.82Å; T186-T222 HydrophobicContact CG2-CG2 3.72Å; W190-T222 HydrophobicContact CZ2-CG2 4.06Å; W190-T222 PolarHBondContact NE1-OG1 2.98Å; T222-L243 HydrophobicContact CG2-CB 3.77Å; T222-L243 HydrophobicContact CG2-CD2 4.41Å; T222-L243 PolarHBondContact N-O 3.29Å; T222-L243 PolarHBondContact O-N 3.38Å; T222-F245 HydrophobicContact CG2-CE2 3.73Å; T222-F245 HydrophobicContact CG2-CZ 3.78Å
223	E	97.7	Very high	86.7	Confident	21 Å²	21	29.6 Å²	29.6	10%	0.098	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	142.1	180	-61.4	176.5	167.3	0	0	110.4	V169 S170 H225 E239 W241 N242	V169-E223 CarbonylContact C-O 3.53Å; V169-E223 VanDerWaalsContact CA-O 3.25Å; V169-E223 WeakPolarHBondContact CA-O 3.3Å; S170-E223 PolarHBondContact N-O 2.81Å; S170-E223 WeakPolarHBondContact OG-CB 3.4Å; S170-E223 PolarHBondContact OG-N 2.86Å; S170-E223 PolarHBondContact OG-O 2.95Å; E223-H225 WeakPolarHBondContact CB-NE2 3.24Å; E223-H225 IonicContact OE2-CE1 3.72Å; E223-H225 PolarHBondContact OE2-CE1 3.27Å; E223-H225 IonicContact OE2-NE2 3.59Å; E223-H225 PolarHBondContact OE2-NE2 2.8Å; E223-E239 HydrophobicContact CB-CG 4.23Å; E223-E239 HydrophobicContact CG-CG 4.31Å; E223-W241 CarbonylContact C-O 3.54Å; E223-W241 WeakPolarHBondContact CA-O 3.41Å; E223-N242 HydrophobicContact CG-CB 4.22Å; E223-N242 PolarHBondContact OE1-ND2 3.13Å
224	I	98.1	Very high	86.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	122.3	170.9	-52.4	175.2	0	0	0	107.6	A152 L156 L167 W168 V169 W190 L240 W241 L243	A152-I224 HydrophobicContact CB-CD1 3.8Å; L156-I224 HydrophobicContact CD1-CB 4.42Å; L156-I224 HydrophobicContact CD1-CD1 3.88Å; L156-I224 HydrophobicContact CD1-CG2 3.76Å; L167-I224 HydrophobicContact CD2-CG2 4.14Å; W168-I224 CarbonylContact O-C 3.37Å; W168-I224 WeakPolarHBondContact O-CA 3.46Å; V169-I224 HydrophobicContact CG1-CG1 4.33Å; V169-I224 HydrophobicContact CG1-CG2 4.49Å; W190-I224 HydrophobicContact CH2-CD1 3.87Å; W190-I224 HydrophobicContact CH2-CG1 4.11Å; W190-I224 HydrophobicContact CZ2-CD1 4.39Å; W190-I224 HydrophobicContact CZ2-CG1 4.2Å; I224-L240 PolarHBondContact O-N 3.36Å; I224-W241 HydrophobicContact CB-CB 4.38Å; I224-W241 HydrophobicContact CD1-CB 4.47Å; I224-W241 HydrophobicContact CD1-CE3 4.44Å; I224-W241 PolarHBondContact N-O 3.39Å; I224-W241 PolarHBondContact O-N 3.31Å; I224-L243 HydrophobicContact CD1-CD1 4.13Å; I224-L243 HydrophobicContact CG1-CD1 4.34Å
225	H	96.2	Very high	86.9	Confident	13 Å²	13	29.7 Å²	29.7	6%	0.06	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	151.4	179.7	-51.6	-97.3	0	0	0	111.8	L167 W168 F203 E223 L237 V238 E239	L167-H225 WeakPolarHBondContact CA-O 3.41Å; W168-H225 HydrophobicContact CB-CB 4.32Å; W168-H225 PolarHBondContact N-O 2.85Å; W168-H225 PolarHBondContact O-N 3.05Å; F203-H225 AromaticContact CE2-NE2 3.65Å; E223-H225 WeakPolarHBondContact CB-NE2 3.24Å; E223-H225 IonicContact OE2-CE1 3.72Å; E223-H225 PolarHBondContact OE2-CE1 3.27Å; E223-H225 IonicContact OE2-NE2 3.59Å; E223-H225 PolarHBondContact OE2-NE2 2.8Å; H225-L237 HydrophobicContact CB-CB 4.02Å; H225-L237 HydrophobicContact CB-CD2 4.41Å; H225-V238 CarbonylContact C-O 3.3Å; H225-V238 VanDerWaalsContact CA-O 3.23Å; H225-V238 WeakPolarHBondContact CA-O 3.47Å; H225-E239 WeakPolarHBondContact ND1-CA 3.41Å; H225-E239 PolarHBondContact ND1-N 2.92Å
226	Y	94.1	Very high	87.2	Confident	20 Å²	20	32.8 Å²	32.8	8%	0.078	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.2	173.1	-177.5	-100	0	0	0	111.2	I162 R166 L167 L228 L237 V238 L240 V276	I162-Y226 HydrophobicContact CG2-CD2 3.97Å; I162-Y226 HydrophobicContact CG2-CE2 3.8Å; R166-Y226 HydrophobicContact CB-CD2 3.87Å; R166-Y226 HydrophobicContact CB-CE2 3.53Å; R166-Y226 WeakPolarHBondContact CD-OH 3.26Å; R166-Y226 HydrophobicContact CG-CE2 4.26Å; R166-Y226 VanDerWaalsContact CZ-CZ 3.47Å; R166-Y226 VanDerWaalsContact NE-CZ 3.32Å; R166-Y226 PolarHBondContact NE-OH 3.05Å; R166-Y226 VanDerWaalsContact NE-OH 3.16Å; R166-Y226 PolarHBondContact NH1-OH 3.39Å; R166-Y226 WeakPolarHBondContact O-CA 3.18Å; L167-Y226 HydrophobicContact CD2-CD2 4.23Å; Y226-L228 HydrophobicContact CD1-CD2 4.02Å; Y226-L228 HydrophobicContact CE1-CD2 4.09Å; Y226-L228 PolarHBondContact O-N 3.49Å; Y226-L237 WeakPolarHBondContact O-CA 3.22Å; Y226-V238 PolarHBondContact N-O 2.95Å; Y226-V238 PolarHBondContact O-N 3.42Å; Y226-L240 HydrophobicContact CG-CD1 4.42Å; Y226-V276 HydrophobicContact CD1-CG1 4.22Å; Y226-V276 HydrophobicContact CD1-CG2 3.69Å; Y226-V276 HydrophobicContact CD2-CG1 3.95Å; Y226-V276 HydrophobicContact CE1-CG1 3.99Å; Y226-V276 HydrophobicContact CE1-CG2 4.01Å; Y226-V276 HydrophobicContact CE2-CG1 3.72Å; Y226-V276 HydrophobicContact CG-CG1 4.17Å; Y226-V276 HydrophobicContact CG-CG2 3.98Å
227	D	93	Very high	87.2	Confident	6 Å²	6	35.2 Å²	35.2	3%	0.032	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	106.4	176.6	178.9	23.3	0	0	0	111.5	R166 A229 G230 G231 P235 Q236 L237	R166-D227 PolarHBondContact NE-O 3.06Å; R166-D227 VanDerWaalsContact NE-O 3.1Å; R166-D227 PolarHBondContact NH2-O 2.71Å; R166-D227 PolarHBondContact O-N 3.5Å; D227-A229 VanDerWaalsContact C-N 3.28Å; D227-A229 PolarHBondContact O-N 3.02Å; D227-A229 VanDerWaalsContact OD1-CB 3.3Å; D227-A229 WeakPolarHBondContact OD1-CB 3.46Å; D227-A229 PolarHBondContact OD1-N 2.88Å; D227-G230 PolarHBondContact O-N 3.39Å; D227-G230 PolarHBondContact OD2-N 3.16Å; D227-G231 PolarHBondContact OD2-N 2.95Å; D227-P235 WeakPolarHBondContact OD1-CA 3.34Å; D227-Q236 WeakPolarHBondContact CA-O 3.26Å; D227-Q236 PolarHBondContact OD1-N 3.42Å; D227-L237 HydrophobicContact CB-CD2 4.01Å
228	L	85.1	Confident	87.2	Confident	37 Å²	37	37.2 Å²	37.2	19%	0.194	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-28.3	174.9	-67.9	177.1	0	0	0	112.8	R166 Y226 G230 Q236 V238	R166-L228 PolarHBondContact NH2-O 2.88Å; R166-L228 VanDerWaalsContact NH2-O 3.09Å; Y226-L228 HydrophobicContact CD1-CD2 4.02Å; Y226-L228 HydrophobicContact CE1-CD2 4.09Å; Y226-L228 PolarHBondContact O-N 3.49Å; L228-G230 VanDerWaalsContact C-N 3.28Å; L228-G230 PolarHBondContact O-N 2.94Å; L228-Q236 HydrophobicContact CB-CB 4.05Å; L228-Q236 PolarHBondContact N-O 3.4Å; L228-V238 HydrophobicContact CD1-CG2 3.53Å; L228-V238 HydrophobicContact CG-CG2 3.97Å
229	A	82.4	Confident	87.2	Confident	20 Å²	20	39.9 Å²	39.9	17%	0.165	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.9	-179.7	0	0	0	0	0	112.6	D227 G231 V232 Q236	D227-A229 VanDerWaalsContact C-N 3.28Å; D227-A229 PolarHBondContact O-N 3.02Å; D227-A229 VanDerWaalsContact OD1-CB 3.3Å; D227-A229 WeakPolarHBondContact OD1-CB 3.46Å; D227-A229 PolarHBondContact OD1-N 2.88Å; A229-G231 PolarHBondContact O-N 3.48Å; A229-V232 PolarHBondContact O-N 3.08Å; A229-V232 VanDerWaalsContact O-N 3.08Å; A229-Q236 HydrophobicContact CB-CB 4.25Å; A229-Q236 HydrophobicContact CB-CG 4.21Å
230	G	75.1	Confident	87.1	Confident	41 Å²	41	40 Å²	40	42%	0.423	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	34.6	177.1	0	0	0	0	0	112.9	D227 L228	D227-G230 PolarHBondContact O-N 3.39Å; D227-G230 PolarHBondContact OD2-N 3.16Å; L228-G230 VanDerWaalsContact C-N 3.28Å; L228-G230 PolarHBondContact O-N 2.94Å
231	G	66.5	Low	87.2	Confident	65 Å²	65	39.8 Å²	39.8	67%	0.67	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	6.1	-177	0	0	0	0	0	116.1	D227 A229	D227-G231 PolarHBondContact OD2-N 2.95Å; A229-G231 PolarHBondContact O-N 3.48Å
232	V	63.2	Low	87.2	Confident	121 Å²	121	40.5 Å²	40.5	73%	0.733	27%	0.272	S	S	*	.	S	Bend	trans	-93.8	101.4	172.8	-176.3	0	0	0	0	110	A229	A229-V232 PolarHBondContact O-N 3.08Å; A229-V232 VanDerWaalsContact O-N 3.08Å
233	G	73.3	Confident	87.2	Confident	70 Å²	70	40.5 Å²	40.5	72%	0.722	27%	0.272	S	S	*	.	S	Bend	trans	83.9	-154.7	-178.5	0	0	0	0	0	113.1
234	A	79.1	Confident	87.2	Confident	79 Å²	79	39.7 Å²	39.7	65%	0.653	27%	0.269	S	S	*	.	S	Bend	trans	-69.7	139.4	176.6	0	0	0	0	0	110.4
235	P	81.6	Confident	87.1	Confident	64 Å²	64	39.7 Å²	39.7	42%	0.416	27%	0.269	S	S	.	.			trans	-60.8	138.7	-178.5	25.3	-33.5	0	0	0	110.9	W168 D227 L237	W168-P235 HydrophobicContact CH2-CG 4.37Å; W168-P235 HydrophobicContact CZ2-CB 4.12Å; W168-P235 HydrophobicContact CZ2-CG 4.37Å; D227-P235 WeakPolarHBondContact OD1-CA 3.34Å; P235-L237 HydrophobicContact CB-CD2 4.05Å; P235-L237 HydrophobicContact CB-CG 4.27Å
236	Q	86.7	Confident	87	Confident	119 Å²	119	39 Å²	39	56%	0.556	27%	0.266	S	S	*	.			trans	-112.9	89.1	175.8	-70.9	-177.3	14.8	0	0	108.6	D227 L228 A229	D227-Q236 WeakPolarHBondContact CA-O 3.26Å; D227-Q236 PolarHBondContact OD1-N 3.42Å; L228-Q236 HydrophobicContact CB-CB 4.05Å; L228-Q236 PolarHBondContact N-O 3.4Å; A229-Q236 HydrophobicContact CB-CB 4.25Å; A229-Q236 HydrophobicContact CB-CG 4.21Å
237	L	89.4	Confident	86.9	Confident	59 Å²	59	40 Å²	40	31%	0.309	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	129	-170.7	-58.1	-176.8	0	0	0	111.5	W168 L201 H225 Y226 D227 P235	W168-L237 HydrophobicContact CB-CD1 4.43Å; W168-L237 HydrophobicContact CB-CD2 4.1Å; W168-L237 HydrophobicContact CD2-CD1 4.43Å; W168-L237 HydrophobicContact CD2-CD2 4Å; W168-L237 HydrophobicContact CE3-CD1 4.48Å; W168-L237 HydrophobicContact CG-CD1 4.41Å; W168-L237 HydrophobicContact CG-CD2 3.62Å; L201-L237 HydrophobicContact CD1-CD1 3.54Å; H225-L237 HydrophobicContact CB-CB 4.02Å; H225-L237 HydrophobicContact CB-CD2 4.41Å; Y226-L237 WeakPolarHBondContact O-CA 3.22Å; D227-L237 HydrophobicContact CB-CD2 4.01Å; P235-L237 HydrophobicContact CB-CD2 4.05Å; P235-L237 HydrophobicContact CB-CG 4.27Å
238	V	89.3	Confident	86.9	Confident	42 Å²	42	41.2 Å²	41.2	26%	0.255	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.1	168.4	176.5	0	0	0	0	108.5	H225 Y226 L228 L240	H225-V238 CarbonylContact C-O 3.3Å; H225-V238 VanDerWaalsContact CA-O 3.23Å; H225-V238 WeakPolarHBondContact CA-O 3.47Å; Y226-V238 PolarHBondContact N-O 2.95Å; Y226-V238 PolarHBondContact O-N 3.42Å; L228-V238 HydrophobicContact CD1-CG2 3.53Å; L228-V238 HydrophobicContact CG-CG2 3.97Å; V238-L240 PolarHBondContact O-N 3.46Å
239	E	93.4	Very high	87.1	Confident	57 Å²	57	40 Å²	40	27%	0.266	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	122.7	173.5	-179.7	-134	153.2	0	0	110.4	E223 H225 R272	E223-E239 HydrophobicContact CB-CG 4.23Å; E223-E239 HydrophobicContact CG-CG 4.31Å; H225-E239 WeakPolarHBondContact ND1-CA 3.41Å; H225-E239 PolarHBondContact ND1-N 2.92Å; E239-R272 WeakPolarHBondContact O-CD 3.29Å; E239-R272 PolarHBondContact O-NH1 3.2Å; E239-R272 IonicContact OE2-NH1 3.38Å; E239-R272 PolarHBondContact OE2-NH1 3.45Å
240	L	94.1	Very high	87.5	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-44.6	176.1	-66.4	-172.3	0	0	0	112.1	I224 Y226 V238 M268 G269 R272 V276	I224-L240 PolarHBondContact O-N 3.36Å; Y226-L240 HydrophobicContact CG-CD1 4.42Å; V238-L240 PolarHBondContact O-N 3.46Å; L240-M268 WeakPolarHBondContact O-CA 3.47Å; L240-M268 WeakPolarHBondContact O-CG 3.43Å; L240-G269 PolarHBondContact O-N 2.84Å; L240-R272 HydrophobicContact CD2-CB 4.13Å; L240-V276 HydrophobicContact CD1-CG2 4.38Å; L240-V276 HydrophobicContact CD2-CG2 3.83Å
241	W	97.3	Very high	88	Confident	1 Å²	1	42 Å²	42	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	127	-169.4	-160.2	-10.6	0	0	0	110.9	F46 F50 N136 A152 L155 L156 E223 I224 L243 T266 G267 M268	F46-W241 HydrophobicContact CE2-CH2 4.06Å; F46-W241 AromaticContact CE2-CZ2 3.91Å; F46-W241 HydrophobicContact CE2-CZ2 3.91Å; F50-W241 HydrophobicContact CE2-CH2 4.01Å; F50-W241 HydrophobicContact CE2-CZ2 4.27Å; F50-W241 AromaticContact CZ-CH2 3.85Å; F50-W241 HydrophobicContact CZ-CH2 3.85Å; F50-W241 HydrophobicContact CZ-CZ2 4.07Å; N136-W241 WeakPolarHBondContact OD1-CZ2 3.44Å; A152-W241 VanDerWaalsContact CA-CZ3 3.45Å; A152-W241 HydrophobicContact CB-CD2 4.33Å; A152-W241 HydrophobicContact CB-CE3 3.82Å; A152-W241 HydrophobicContact CB-CH2 3.89Å; A152-W241 HydrophobicContact CB-CZ2 4.4Å; A152-W241 HydrophobicContact CB-CZ3 3.58Å; L155-W241 HydrophobicContact CB-CZ3 4.3Å; L155-W241 HydrophobicContact CD2-CH2 3.64Å; L155-W241 HydrophobicContact CD2-CZ3 3.79Å; L155-W241 HydrophobicContact CG-CZ3 4.42Å; L156-W241 HydrophobicContact CD1-CE3 4.17Å; L156-W241 HydrophobicContact CD2-CE3 4.37Å; L156-W241 HydrophobicContact CG-CE3 4.2Å; L156-W241 HydrophobicContact CG-CZ3 4.32Å; E223-W241 CarbonylContact C-O 3.54Å; E223-W241 WeakPolarHBondContact CA-O 3.41Å; I224-W241 HydrophobicContact CB-CB 4.38Å; I224-W241 HydrophobicContact CD1-CB 4.47Å; I224-W241 HydrophobicContact CD1-CE3 4.44Å; I224-W241 PolarHBondContact N-O 3.39Å; I224-W241 PolarHBondContact O-N 3.31Å; W241-L243 HydrophobicContact CB-CD1 4.35Å; W241-L243 HydrophobicContact CD2-CD1 4.22Å; W241-L243 HydrophobicContact CG-CD1 3.86Å; W241-T266 VanDerWaalsContact NE1-CB 3.27Å; W241-T266 PolarHBondContact NE1-OG1 2.87Å; W241-T266 VanDerWaalsContact NE1-OG1 3.14Å; W241-G267 VanDerWaalsContact CD1-C 3.44Å; W241-G267 VanDerWaalsContact CD1-O 3.32Å; W241-M268 HydrophobicContact CB-CB 4.06Å; W241-M268 HydrophobicContact CB-CG 4.3Å; W241-M268 HydrophobicContact CB-SD 4.27Å; W241-M268 HydrophobicContact CD2-CB 3.89Å; W241-M268 HydrophobicContact CD2-CE 4.23Å; W241-M268 HydrophobicContact CD2-CG 4.43Å; W241-M268 HydrophobicContact CD2-SD 3.9Å; W241-M268 HydrophobicContact CE3-CE 3.96Å; W241-M268 HydrophobicContact CE3-SD 3.68Å; W241-M268 HydrophobicContact CG-CB 3.62Å; W241-M268 HydrophobicContact CG-CG 4.26Å; W241-M268 HydrophobicContact CG-SD 4.21Å; W241-M268 HydrophobicContact CH2-CE 4.28Å; W241-M268 HydrophobicContact CZ3-CE 3.99Å; W241-M268 HydrophobicContact CZ3-SD 4.28Å
242	N	97.5	Very high	88.7	Confident	15 Å²	15	43.5 Å²	43.5	8%	0.08	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.5	171.8	-166.8	-19.7	0	0	0	110.4	C221 E223 T266 G267	C221-N242 WeakPolarHBondContact CB-OD1 3.2Å; C221-N242 PolarHBondContact SG-OD1 2.91Å; E223-N242 HydrophobicContact CG-CB 4.22Å; E223-N242 PolarHBondContact OE1-ND2 3.13Å; N242-T266 CarbonylContact O-C 3.5Å; N242-T266 WeakPolarHBondContact O-CA 3.16Å; N242-G267 PolarHBondContact N-O 3.35Å; N242-G267 PolarHBondContact O-N 2.89Å
243	L	98.1	Very high	89.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	107.3	176.8	-70.4	69.4	0	0	0	108.4	A148 A152 C221 T222 I224 W241 F245 T266	A148-L243 HydrophobicContact CB-CD2 4.17Å; A152-L243 HydrophobicContact CB-CD1 4.31Å; A152-L243 HydrophobicContact CB-CD2 3.95Å; C221-L243 CarbonylContact C-O 3.5Å; C221-L243 WeakPolarHBondContact CA-O 3.45Å; C221-L243 WeakPolarHBondContact CB-O 3.44Å; T222-L243 HydrophobicContact CG2-CB 3.77Å; T222-L243 HydrophobicContact CG2-CD2 4.41Å; T222-L243 PolarHBondContact N-O 3.29Å; T222-L243 PolarHBondContact O-N 3.38Å; I224-L243 HydrophobicContact CD1-CD1 4.13Å; I224-L243 HydrophobicContact CG1-CD1 4.34Å; W241-L243 HydrophobicContact CB-CD1 4.35Å; W241-L243 HydrophobicContact CD2-CD1 4.22Å; W241-L243 HydrophobicContact CG-CD1 3.86Å; L243-F245 HydrophobicContact CB-CZ 4.25Å; L243-T266 HydrophobicContact CB-CG2 4.43Å; L243-T266 HydrophobicContact CG-CG2 4.03Å
244	V	97.4	Very high	90	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.3	-176	-175.3	0	0	0	0	110.6	W210 C221 M246 D265	W210-V244 HydrophobicContact CB-CB 4.33Å; W210-V244 HydrophobicContact CB-CG1 3.77Å; W210-V244 HydrophobicContact CB-CG2 3.56Å; W210-V244 HydrophobicContact CD2-CG1 4.41Å; W210-V244 HydrophobicContact CD2-CG2 4.02Å; W210-V244 HydrophobicContact CE3-CG1 4.15Å; W210-V244 HydrophobicContact CE3-CG2 4.48Å; W210-V244 HydrophobicContact CG-CG1 4.29Å; W210-V244 HydrophobicContact CG-CG2 3.6Å; C221-V244 HydrophobicContact CB-CB 4.13Å; C221-V244 HydrophobicContact CB-CG1 4.4Å; C221-V244 HydrophobicContact CB-CG2 3.8Å; V244-M246 HydrophobicContact CG1-CE 4.49Å; V244-M246 HydrophobicContact CG1-CG 4.05Å; V244-D265 WeakPolarHBondContact CA-O 3.44Å; V244-D265 HydrophobicContact CB-CB 4.24Å; V244-D265 WeakPolarHBondContact CB-O 3.45Å; V244-D265 PolarHBondContact N-O 3.24Å; V244-D265 PolarHBondContact O-N 3.43Å
245	F	96.5	Very high	90.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	85.4	179.2	-54.1	-55.7	0	0	0	109.2	F144 K145 A148 T186 G219 P220 T222 L243 Q247	F144-F245 HydrophobicContact CD2-CD1 4.46Å; F144-F245 HydrophobicContact CE1-CB 4.39Å; F144-F245 HydrophobicContact CE2-CB 3.84Å; F144-F245 HydrophobicContact CE2-CD1 4.25Å; F144-F245 HydrophobicContact CE2-CG 4.46Å; F144-F245 HydrophobicContact CZ-CB 3.62Å; F144-F245 HydrophobicContact CZ-CD1 4.49Å; F144-F245 HydrophobicContact CZ-CG 4.33Å; K145-F245 HydrophobicContact CB-CD1 4.48Å; K145-F245 HydrophobicContact CB-CE1 4.05Å; K145-F245 HydrophobicContact CB-CZ 4.09Å; K145-F245 HydrophobicContact CD-CD2 4.35Å; K145-F245 HydrophobicContact CD-CE2 4.48Å; K145-F245 HydrophobicContact CG-CD1 3.59Å; K145-F245 HydrophobicContact CG-CD2 3.8Å; K145-F245 HydrophobicContact CG-CE1 3.57Å; K145-F245 HydrophobicContact CG-CE2 3.76Å; K145-F245 HydrophobicContact CG-CG 3.71Å; K145-F245 HydrophobicContact CG-CZ 3.65Å; A148-F245 HydrophobicContact CB-CE1 4.25Å; T186-F245 HydrophobicContact CG2-CE2 4.15Å; G219-F245 WeakPolarHBondContact CA-O 3.29Å; P220-F245 WeakPolarHBondContact CD-O 3.43Å; P220-F245 HydrophobicContact CG-CB 4.47Å; P220-F245 PolarHBondContact O-N 2.97Å; T222-F245 HydrophobicContact CG2-CE2 3.73Å; T222-F245 HydrophobicContact CG2-CZ 3.78Å; L243-F245 HydrophobicContact CB-CZ 4.25Å; F245-Q247 PolarHBondContact O-N 3.47Å; F245-Q247 VanDerWaalsContact O-N 3.16Å
246	M	93.4	Very high	90.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	113.8	-175.5	-68.2	-174.3	178.6	0	0	110.7	M79 F86 W210 P217 V244 L259 W262 H263 D265	M79-M246 HydrophobicContact CB-CE 4.07Å; M79-M246 HydrophobicContact CE-CE 3.33Å; M79-M246 HydrophobicContact CE-SD 3.87Å; M79-M246 HydrophobicContact CG-CE 3.93Å; M79-M246 HydrophobicContact SD-CE 4.47Å; F86-M246 HydrophobicContact CD1-SD 3.98Å; F86-M246 HydrophobicContact CD2-SD 4.17Å; F86-M246 HydrophobicContact CE1-SD 3.8Å; F86-M246 HydrophobicContact CE2-SD 4.07Å; F86-M246 HydrophobicContact CG-SD 4.17Å; F86-M246 HydrophobicContact CZ-SD 3.85Å; W210-M246 HydrophobicContact CE3-CE 4.13Å; W210-M246 HydrophobicContact CH2-CE 4.5Å; W210-M246 HydrophobicContact CZ3-CE 3.68Å; P217-M246 HydrophobicContact CB-SD 4.03Å; V244-M246 HydrophobicContact CG1-CE 4.49Å; V244-M246 HydrophobicContact CG1-CG 4.05Å; M246-L259 HydrophobicContact CB-CD1 4.3Å; M246-W262 WeakPolarHBondContact O-CA 3.27Å; M246-H263 HydrophobicContact CB-CB 4.18Å; M246-H263 PolarHBondContact N-O 3.45Å; M246-H263 PolarHBondContact O-N 3.28Å; M246-D265 HydrophobicContact CE-CB 3.41Å; M246-D265 VanDerWaalsContact CE-CB 3.41Å; M246-D265 WeakPolarHBondContact CE-OD2 3.36Å; M246-D265 HydrophobicContact CG-CB 4.4Å; M246-D265 HydrophobicContact SD-CB 4.1Å
247	Q	92.5	Very high	91	Very high	40 Å²	40	37.3 Å²	37.3	19%	0.187	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	-5.6	-177.3	68.2	-172.5	9.9	0	0	112.8	C218 F245 P258 L259 W262	C218-Q247 PolarHBondContact O-N 3.23Å; F245-Q247 PolarHBondContact O-N 3.47Å; F245-Q247 VanDerWaalsContact O-N 3.16Å; Q247-P258 WeakPolarHBondContact O-CA 3.38Å; Q247-L259 PolarHBondContact O-N 3.4Å; Q247-W262 HydrophobicContact CB-CG 4.4Å
248	H	92.9	Very high	91	Very high	31 Å²	31	38.2 Å²	38.2	14%	0.144	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	158	178.7	-56.1	110.9	0	0	0	112.2	P217 C218 L256 Q257 L259	P217-H248 CarbonylContact C-O 3.57Å; P217-H248 WeakPolarHBondContact CA-O 3.22Å; C218-H248 PolarHBondContact N-O 3.41Å; C218-H248 PolarHBondContact O-N 3.26Å; H248-L256 HydrophobicContact CB-CD2 4.13Å; H248-Q257 CarbonylContact C-O 3.57Å; H248-Q257 WeakPolarHBondContact CA-O 3.36Å; H248-L259 WeakPolarHBondContact O-CD1 3.39Å
249	N	90.2	Very high	91.1	Very high	11 Å²	11	36.6 Å²	36.6	6%	0.059	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.7	165.7	-170.1	62.3	0	0	0	108.4	G216 E251 Q257 L259	G216-N249 WeakPolarHBondContact CA-OD1 3.31Å; G216-N249 PolarHBondContact O-OD1 2.84Å; N249-E251 PolarHBondContact ND2-OE1 2.89Å; N249-Q257 PolarHBondContact N-O 3.3Å; N249-Q257 PolarHBondContact O-N 2.78Å; N249-L259 HydrophobicContact CB-CD2 3.89Å
250	R	89.6	Confident	90.8	Very high	47 Å²	47	36.2 Å²	36.2	18%	0.177	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.9	173	-172.4	164.3	-54.8	-95.5	7	110.7	E211 T215 G216 G254 S255 L256	E211-R250 IonicContact OE1-CZ 3.01Å; E211-R250 IonicContact OE1-NE 3.72Å; E211-R250 PolarHBondContact OE1-NE 3.21Å; E211-R250 IonicContact OE1-NH2 3.46Å; E211-R250 PolarHBondContact OE1-NH2 3.47Å; E211-R250 IonicContact OE2-NE 2.74Å; E211-R250 IonicContact OE2-NH2 3.89Å; T215-R250 CarbonylContact C-O 3.54Å; T215-R250 VanDerWaalsContact CA-O 3.27Å; T215-R250 WeakPolarHBondContact CA-O 3.44Å; T215-R250 WeakPolarHBondContact CB-O 3.39Å; G216-R250 PolarHBondContact N-O 3.47Å; G216-R250 PolarHBondContact O-N 3.22Å; R250-G254 PolarHBondContact NH1-O 3.4Å; R250-S255 WeakPolarHBondContact CA-O 3.34Å; R250-L256 HydrophobicContact CB-CD2 4.03Å; R250-L256 HydrophobicContact CG-CD2 4.4Å; R250-L256 VanDerWaalsContact CZ-CD2 3.48Å
251	E	85.6	Confident	90.4	Very high	56 Å²	56	40.7 Å²	40.7	26%	0.262	24%	0.236	S	C	.	.			trans	-84.1	166.7	177.6	-62.3	-53.2	143.5	0	0	112.3	N249 D253 G254 S255 Q257	N249-E251 PolarHBondContact ND2-OE1 2.89Å; E251-D253 WeakPolarHBondContact CB-OD1 3.4Å; E251-D253 PolarHBondContact O-N 2.68Å; E251-G254 WeakPolarHBondContact O-CA 3.24Å; E251-G254 PolarHBondContact O-N 2.71Å; E251-S255 PolarHBondContact N-O 2.9Å; E251-Q257 HydrophobicContact CG-CG 3.92Å
252	A	80.7	Confident	90.2	Very high	97 Å²	97	47.4 Å²	47.4	80%	0.802	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-23.8	-177.5	0	0	0	0	0	114	T215	T215-A252 HydrophobicContact CG2-CB 4.24Å
253	D	82	Confident	90.1	Very high	130 Å²	130	46.9 Å²	46.9	70%	0.695	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-1.4	173.9	68	-4	0	0	0	113.1	E251 S255	E251-D253 WeakPolarHBondContact CB-OD1 3.4Å; E251-D253 PolarHBondContact O-N 2.68Å; D253-S255 VanDerWaalsContact C-N 3.35Å; D253-S255 VanDerWaalsContact OD1-CB 3.23Å; D253-S255 WeakPolarHBondContact OD1-CB 3.39Å; D253-S255 PolarHBondContact OD1-N 2.97Å; D253-S255 PolarHBondContact OD1-OG 2.83Å; D253-S255 PolarHBondContact OD2-OG 3.04Å
254	G	83.7	Confident	90	Very high	35 Å²	35	46.9 Å²	46.9	36%	0.361	26%	0.258	S	S	.	.	S	Bend	trans	86.7	-2.9	-178.2	0	0	0	0	0	114.4	R250 E251	R250-G254 PolarHBondContact NH1-O 3.4Å; E251-G254 WeakPolarHBondContact O-CA 3.24Å; E251-G254 PolarHBondContact O-N 2.71Å
255	S	87.4	Confident	90	Very high	40 Å²	40	47 Å²	47	28%	0.28	26%	0.259	S	S	.	.			trans	-68.3	153.2	176	68	0	0	0	0	111.9	R250 E251 D253	R250-S255 WeakPolarHBondContact CA-O 3.34Å; E251-S255 PolarHBondContact N-O 2.9Å; D253-S255 VanDerWaalsContact C-N 3.35Å; D253-S255 VanDerWaalsContact OD1-CB 3.23Å; D253-S255 WeakPolarHBondContact OD1-CB 3.39Å; D253-S255 PolarHBondContact OD1-N 2.97Å; D253-S255 PolarHBondContact OD1-OG 2.83Å; D253-S255 PolarHBondContact OD2-OG 3.04Å
256	L	90.3	Very high	90	Very high	37 Å²	37	47 Å²	47	19%	0.194	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.8	177	-72.1	177.6	0	0	0	109.5	L180 F209 C218 H248 R250	L180-L256 HydrophobicContact CD1-CD1 3.89Å; L180-L256 HydrophobicContact CD2-CD1 4.23Å; L180-L256 HydrophobicContact CG-CD1 4.34Å; F209-L256 HydrophobicContact CE1-CD1 4.49Å; F209-L256 HydrophobicContact CZ-CD1 3.88Å; F209-L256 HydrophobicContact CZ-CD2 4.39Å; C218-L256 VanDerWaalsContact SG-CD2 3.51Å; H248-L256 HydrophobicContact CB-CD2 4.13Å; R250-L256 HydrophobicContact CB-CD2 4.03Å; R250-L256 HydrophobicContact CG-CD2 4.4Å; R250-L256 VanDerWaalsContact CZ-CD2 3.48Å
257	Q	89.7	Confident	90.2	Very high	82 Å²	82	47.7 Å²	47.7	38%	0.383	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	141.5	173.7	-65.2	-67	-27.5	0	0	110.5	H248 N249 E251 H497	H248-Q257 CarbonylContact C-O 3.57Å; H248-Q257 WeakPolarHBondContact CA-O 3.36Å; N249-Q257 PolarHBondContact N-O 3.3Å; N249-Q257 PolarHBondContact O-N 2.78Å; E251-Q257 HydrophobicContact CG-CG 3.92Å; Q257-H497 WeakPolarHBondContact CB-NE2 3.41Å
258	P	90.5	Very high	90.4	Very high	77 Å²	77	45.8 Å²	45.8	50%	0.5	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	133.3	-178.7	28.1	-33.9	0	0	0	112	Q247 H497	Q247-P258 WeakPolarHBondContact O-CA 3.38Å; P258-H497 PolarHBondContact O-CE1 3.44Å
259	L	90.3	Very high	90.6	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	145.4	174.6	-72.3	170	0	0	0	111	P217 M246 Q247 H248 N249 Q261 V496	P217-L259 HydrophobicContact CB-CD1 4.37Å; M246-L259 HydrophobicContact CB-CD1 4.3Å; Q247-L259 PolarHBondContact O-N 3.4Å; H248-L259 WeakPolarHBondContact O-CD1 3.39Å; N249-L259 HydrophobicContact CB-CD2 3.89Å; L259-Q261 VanDerWaalsContact CB-O 3.28Å; L259-Q261 WeakPolarHBondContact CB-O 3.13Å; L259-Q261 PolarHBondContact O-N 3.18Å; L259-V496 HydrophobicContact CD2-CG1 4.1Å
260	P	86.3	Confident	90.9	Very high	49 Å²	49	44.6 Å²	44.6	32%	0.318	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	-26.7	176.7	-24.3	33.7	0	0	0	114.2	V496	P260-V496 HydrophobicContact CG-CG1 3.93Å
261	Q	87.4	Confident	91.2	Very high	95 Å²	95	42.5 Å²	42.5	44%	0.444	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	151.6	177	-66.3	-178.1	-1.4	0	0	109.1	L259 H263	L259-Q261 VanDerWaalsContact CB-O 3.28Å; L259-Q261 WeakPolarHBondContact CB-O 3.13Å; L259-Q261 PolarHBondContact O-N 3.18Å; Q261-H263 PolarHBondContact O-CD2 2.82Å; Q261-H263 PolarHBondContact O-NE2 3.03Å
262	W	92.4	Very high	91.6	Very high	142 Å²	142	42.4 Å²	42.4	54%	0.538	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	146.3	173.8	-58.7	-20.1	0	0	0	110.7	G141 F144 M246 Q247	G141-W262 PolarHBondContact N-O 3.49Å; F144-W262 HydrophobicContact CD1-CE3 4.21Å; F144-W262 HydrophobicContact CD2-CB 4.2Å; F144-W262 AromaticContact CE1-CE3 3.96Å; F144-W262 HydrophobicContact CE1-CE3 3.96Å; F144-W262 HydrophobicContact CE1-CZ3 4.47Å; F144-W262 HydrophobicContact CE2-CB 3.75Å; F144-W262 HydrophobicContact CE2-CG 4.47Å; F144-W262 HydrophobicContact CZ-CB 4.1Å; F144-W262 HydrophobicContact CZ-CD2 4.36Å; F144-W262 HydrophobicContact CZ-CE3 4.23Å; F144-W262 HydrophobicContact CZ-CG 4.34Å; M246-W262 WeakPolarHBondContact O-CA 3.27Å; Q247-W262 HydrophobicContact CB-CG 4.4Å
263	H	95.1	Very high	92.4	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.023	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	153.1	-176.9	-50.4	-94.8	0	0	0	110.7	F86 A138 F139 G140 M246 Q261	F86-H263 HydrophobicContact CD1-CB 3.76Å; F86-H263 AromaticContact CD1-CD2 3.85Å; F86-H263 AromaticContact CD1-CG 3.55Å; F86-H263 AromaticContact CD1-ND1 3.8Å; F86-H263 HydrophobicContact CE1-CB 3.63Å; F86-H263 AromaticContact CE1-CG 3.9Å; A138-H263 WeakPolarHBondContact O-CA 3.33Å; A138-H263 WeakPolarHBondContact O-CB 3.14Å; F139-H263 WeakPolarHBondContact CA-ND1 3.39Å; F139-H263 AromaticContact CD1-ND1 3.78Å; G140-H263 PolarHBondContact N-ND1 3.46Å; M246-H263 HydrophobicContact CB-CB 4.18Å; M246-H263 PolarHBondContact N-O 3.45Å; M246-H263 PolarHBondContact O-N 3.28Å; Q261-H263 PolarHBondContact O-CD2 2.82Å; Q261-H263 PolarHBondContact O-NE2 3.03Å
264	V	97	Very high	93	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.1	170	-178.8	0	0	0	0	108.8	W137 A138 Y143 F144 A148 T266	W137-V264 VanDerWaalsContact CA-O 3.26Å; W137-V264 WeakPolarHBondContact CA-O 3.05Å; A138-V264 HydrophobicContact CB-CB 4.18Å; A138-V264 HydrophobicContact CB-CG2 4.4Å; A138-V264 PolarHBondContact N-O 2.84Å; A138-V264 VanDerWaalsContact N-O 3.09Å; A138-V264 PolarHBondContact O-N 3.27Å; Y143-V264 HydrophobicContact CD2-CB 4.47Å; Y143-V264 HydrophobicContact CD2-CG2 3.92Å; Y143-V264 HydrophobicContact CE2-CB 3.83Å; Y143-V264 HydrophobicContact CE2-CG1 3.93Å; Y143-V264 HydrophobicContact CE2-CG2 3.76Å; Y143-V264 WeakPolarHBondContact O-CG2 3.35Å; F144-V264 HydrophobicContact CD2-CG2 3.82Å; A148-V264 HydrophobicContact CB-CG1 4.02Å; V264-T266 HydrophobicContact CG1-CG2 3.77Å
265	D	96.6	Very high	93.6	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.027	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125	170.6	169.3	32.2	0	0	0	108.2	M79 W137 V244 M246	M79-D265 HydrophobicContact CB-CB 4.46Å; M79-D265 VanDerWaalsContact CB-OD2 3.32Å; M79-D265 WeakPolarHBondContact CB-OD2 3.49Å; M79-D265 WeakPolarHBondContact CG-OD2 3.29Å; W137-D265 PolarHBondContact NE1-OD1 3.05Å; V244-D265 WeakPolarHBondContact CA-O 3.44Å; V244-D265 HydrophobicContact CB-CB 4.24Å; V244-D265 WeakPolarHBondContact CB-O 3.45Å; V244-D265 PolarHBondContact N-O 3.24Å; V244-D265 PolarHBondContact O-N 3.43Å; M246-D265 HydrophobicContact CE-CB 3.41Å; M246-D265 VanDerWaalsContact CE-CB 3.41Å; M246-D265 WeakPolarHBondContact CE-OD2 3.36Å; M246-D265 HydrophobicContact CG-CB 4.4Å; M246-D265 HydrophobicContact SD-CB 4.1Å
266	T	97.2	Very high	93.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.2	175.2	86.9	0	0	0	0	110.9	G135 N136 W241 N242 L243 V264	G135-T266 WeakPolarHBondContact CA-O 3.48Å; N136-T266 PolarHBondContact N-OG1 2.97Å; N136-T266 VanDerWaalsContact N-OG1 3.11Å; N136-T266 WeakPolarHBondContact O-CG2 3.16Å; N136-T266 PolarHBondContact O-N 3.12Å; N136-T266 PolarHBondContact O-OG1 3.43Å; N136-T266 WeakPolarHBondContact OD1-CG2 3.31Å; N136-T266 PolarHBondContact OD1-OG1 3.03Å; W241-T266 VanDerWaalsContact NE1-CB 3.27Å; W241-T266 PolarHBondContact NE1-OG1 2.87Å; W241-T266 VanDerWaalsContact NE1-OG1 3.14Å; N242-T266 CarbonylContact O-C 3.5Å; N242-T266 WeakPolarHBondContact O-CA 3.16Å; L243-T266 HydrophobicContact CB-CG2 4.43Å; L243-T266 HydrophobicContact CG-CG2 4.03Å; V264-T266 HydrophobicContact CG1-CG2 3.77Å
267	G	96.6	Very high	94	Very high	14 Å²	14	29.3 Å²	29.3	14%	0.144	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	115.1	177.2	0	0	0	0	0	111.8	W241 N242	W241-G267 VanDerWaalsContact CD1-C 3.44Å; W241-G267 VanDerWaalsContact CD1-O 3.32Å; N242-G267 PolarHBondContact N-O 3.35Å; N242-G267 PolarHBondContact O-N 2.89Å
268	M	97.4	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.7	173.3	176	159.5	60.7	0	0	109.9	F46 L134 L155 L156 L240 W241 L270 L273	F46-M268 HydrophobicContact CD2-CE 3.48Å; F46-M268 VanDerWaalsContact CD2-CE 3.48Å; F46-M268 HydrophobicContact CE2-CE 3.64Å; L134-M268 HydrophobicContact CB-CB 4.25Å; L134-M268 HydrophobicContact CB-CE 4.46Å; L134-M268 HydrophobicContact CD1-CE 3.97Å; L134-M268 PolarHBondContact N-O 3.09Å; L134-M268 PolarHBondContact O-N 3.27Å; L155-M268 HydrophobicContact CD2-CE 4.28Å; L156-M268 HydrophobicContact CD2-SD 4.04Å; L240-M268 WeakPolarHBondContact O-CA 3.47Å; L240-M268 WeakPolarHBondContact O-CG 3.43Å; W241-M268 HydrophobicContact CB-CB 4.06Å; W241-M268 HydrophobicContact CB-CG 4.3Å; W241-M268 HydrophobicContact CB-SD 4.27Å; W241-M268 HydrophobicContact CD2-CB 3.89Å; W241-M268 HydrophobicContact CD2-CE 4.23Å; W241-M268 HydrophobicContact CD2-CG 4.43Å; W241-M268 HydrophobicContact CD2-SD 3.9Å; W241-M268 HydrophobicContact CE3-CE 3.96Å; W241-M268 HydrophobicContact CE3-SD 3.68Å; W241-M268 HydrophobicContact CG-CB 3.62Å; W241-M268 HydrophobicContact CG-CG 4.26Å; W241-M268 HydrophobicContact CG-SD 4.21Å; W241-M268 HydrophobicContact CH2-CE 4.28Å; W241-M268 HydrophobicContact CZ3-CE 3.99Å; W241-M268 HydrophobicContact CZ3-SD 4.28Å; M268-L270 PolarHBondContact O-N 2.87Å; M268-L273 HydrophobicContact CE-CD2 3.77Å; M268-L273 HydrophobicContact CG-CB 4.47Å; M268-L273 HydrophobicContact SD-CB 4.45Å; M268-L273 HydrophobicContact SD-CD1 4.26Å; M268-L273 HydrophobicContact SD-CD2 3.85Å; M268-L273 HydrophobicContact SD-CG 4.41Å
269	G	96.1	Very high	94.2	Very high	16 Å²	16	26.3 Å²	26.3	17%	0.165	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	114.8	177.2	0	0	0	0	0	111.1	L240 E271 R272 L273	L240-G269 PolarHBondContact O-N 2.84Å; G269-E271 VanDerWaalsContact C-N 3.29Å; G269-E271 PolarHBondContact O-N 3.42Å; G269-R272 PolarHBondContact O-N 3.15Å; G269-L273 PolarHBondContact O-N 3.12Å
270	L	96.8	Very high	94.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.3	-45.1	178.8	177.8	66	0	0	0	110.9	V42 R43 E132 L134 M268 R272 L273 V274	V42-L270 HydrophobicContact CB-CD1 4.44Å; V42-L270 HydrophobicContact CG1-CD1 3.99Å; R43-L270 HydrophobicContact CB-CD1 4.28Å; R43-L270 HydrophobicContact CB-CD2 4.49Å; E132-L270 HydrophobicContact CB-CB 3.93Å; E132-L270 HydrophobicContact CB-CD2 3.94Å; E132-L270 HydrophobicContact CG-CD2 4.37Å; E132-L270 WeakPolarHBondContact O-CB 3.34Å; E132-L270 PolarHBondContact O-N 2.99Å; E132-L270 WeakPolarHBondContact OE1-CD2 3.18Å; L134-L270 HydrophobicContact CD1-CB 4.36Å; L134-L270 HydrophobicContact CD1-CD1 3.86Å; L134-L270 HydrophobicContact CD2-CD1 4.44Å; L134-L270 HydrophobicContact CG-CB 4.18Å; L134-L270 HydrophobicContact CG-CD1 4.35Å; M268-L270 PolarHBondContact O-N 2.87Å; L270-R272 VanDerWaalsContact C-N 3.31Å; L270-R272 PolarHBondContact O-N 3.19Å; L270-L273 PolarHBondContact O-N 3.33Å; L270-V274 HydrophobicContact CD1-CG2 3.79Å; L270-V274 HydrophobicContact CG-CG2 4.09Å; L270-V274 WeakPolarHBondContact O-CB 3.37Å; L270-V274 WeakPolarHBondContact O-CG2 3.13Å; L270-V274 PolarHBondContact O-N 3.16Å
271	E	96.1	Very high	94.3	Very high	3 Å²	3	34 Å²	34	1%	0.014	18%	0.178	C	C	.	.	H	α-helix	trans	-55.9	-44.4	-179.9	-75.2	72.5	-169.9	0	0	112.2	F131 E132 G269 A275 T283 L288 F289 R329	F131-E271 WeakPolarHBondContact CB-OE2 3.29Å; E132-E271 PolarHBondContact N-OE1 3.49Å; E132-E271 PolarHBondContact N-OE2 3.03Å; E132-E271 VanDerWaalsContact N-OE2 3.08Å; G269-E271 VanDerWaalsContact C-N 3.29Å; G269-E271 PolarHBondContact O-N 3.42Å; E271-A275 PolarHBondContact O-N 2.92Å; E271-A275 VanDerWaalsContact O-N 3.15Å; E271-T283 HydrophobicContact CB-CG2 4.2Å; E271-L288 HydrophobicContact CB-CD1 4.44Å; E271-L288 HydrophobicContact CG-CD1 3.94Å; E271-F289 HydrophobicContact CG-CE2 4.09Å; E271-R329 IonicContact OE1-CZ 3.28Å; E271-R329 IonicContact OE1-NH1 2.77Å; E271-R329 IonicContact OE1-NH2 2.82Å; E271-R329 PolarHBondContact OE1-NH2 2.87Å
272	R	95.1	Very high	94.5	Very high	54 Å²	54	29.6 Å²	29.6	20%	0.204	16%	0.157	C	C	.	.	H	α-helix	trans	-70.3	-44.6	178.8	-67.6	-174.2	-178.8	169.6	1.4	111.4	E239 L240 G269 L270 V274 A275 V276 T283	E239-R272 WeakPolarHBondContact O-CD 3.29Å; E239-R272 PolarHBondContact O-NH1 3.2Å; E239-R272 IonicContact OE2-NH1 3.38Å; E239-R272 PolarHBondContact OE2-NH1 3.45Å; L240-R272 HydrophobicContact CD2-CB 4.13Å; G269-R272 PolarHBondContact O-N 3.15Å; L270-R272 VanDerWaalsContact C-N 3.31Å; L270-R272 PolarHBondContact O-N 3.19Å; R272-V274 VanDerWaalsContact C-N 3.35Å; R272-V274 PolarHBondContact O-N 2.91Å; R272-A275 WeakPolarHBondContact O-CB 3.43Å; R272-A275 PolarHBondContact O-N 3.36Å; R272-V276 PolarHBondContact O-N 3.07Å; R272-V276 VanDerWaalsContact O-N 3.14Å; R272-T283 HydrophobicContact CG-CG2 4.22Å
273	L	96	Very high	94.6	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.9	-45.9	177.3	177.5	64.6	0	0	0	111.4	V42 L134 L156 Y160 I162 M268 G269 L270 A275 V276 L277	V42-L273 HydrophobicContact CG1-CD2 3.55Å; V42-L273 HydrophobicContact CG1-CG 4.01Å; L134-L273 HydrophobicContact CD1-CD2 4.12Å; L156-L273 HydrophobicContact CD2-CD1 4.15Å; Y160-L273 HydrophobicContact CD2-CD1 4.5Å; Y160-L273 HydrophobicContact CD2-CD2 4.49Å; Y160-L273 HydrophobicContact CE2-CD2 3.85Å; I162-L273 HydrophobicContact CD1-CD1 4.18Å; M268-L273 HydrophobicContact CE-CD2 3.77Å; M268-L273 HydrophobicContact CG-CB 4.47Å; M268-L273 HydrophobicContact SD-CB 4.45Å; M268-L273 HydrophobicContact SD-CD1 4.26Å; M268-L273 HydrophobicContact SD-CD2 3.85Å; M268-L273 HydrophobicContact SD-CG 4.41Å; G269-L273 PolarHBondContact O-N 3.12Å; L270-L273 PolarHBondContact O-N 3.33Å; L273-A275 VanDerWaalsContact C-N 3.32Å; L273-A275 PolarHBondContact O-N 3.07Å; L273-V276 PolarHBondContact O-N 3.34Å; L273-L277 HydrophobicContact CD1-CD1 4.02Å; L273-L277 HydrophobicContact CD1-CG 4.13Å; L273-L277 HydrophobicContact CD2-CD1 4.46Å; L273-L277 HydrophobicContact CG-CD1 3.92Å; L273-L277 HydrophobicContact CG-CG 4.36Å; L273-L277 WeakPolarHBondContact O-CG 3.42Å; L273-L277 PolarHBondContact O-N 2.73Å
274	V	96.1	Very high	94.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.2	-40.3	179	172.8	0	0	0	0	111.1	A39 V42 L270 R272 V276 L277 Q278 T286 L288	A39-V274 HydrophobicContact CB-CG1 4.13Å; A39-V274 HydrophobicContact CB-CG2 3.83Å; V42-V274 HydrophobicContact CB-CG2 4.09Å; V42-V274 HydrophobicContact CG1-CG2 4.03Å; V42-V274 HydrophobicContact CG2-CG2 4.22Å; L270-V274 HydrophobicContact CD1-CG2 3.79Å; L270-V274 HydrophobicContact CG-CG2 4.09Å; L270-V274 WeakPolarHBondContact O-CB 3.37Å; L270-V274 WeakPolarHBondContact O-CG2 3.13Å; L270-V274 PolarHBondContact O-N 3.16Å; R272-V274 VanDerWaalsContact C-N 3.35Å; R272-V274 PolarHBondContact O-N 2.91Å; V274-V276 VanDerWaalsContact C-N 3.33Å; V274-V276 PolarHBondContact O-N 3.08Å; V274-L277 PolarHBondContact O-N 2.77Å; V274-Q278 HydrophobicContact CG1-CG 4.24Å; V274-Q278 WeakPolarHBondContact O-CB 3.38Å; V274-Q278 WeakPolarHBondContact O-CG 3.16Å; V274-Q278 PolarHBondContact O-N 3.25Å; V274-T286 HydrophobicContact CG1-CG2 3.93Å; V274-L288 HydrophobicContact CB-CD1 4.33Å; V274-L288 HydrophobicContact CG1-CD1 4.44Å; V274-L288 HydrophobicContact CG2-CD1 4.31Å
275	A	94.5	Very high	94.4	Very high	7 Å²	7	25.6 Å²	25.6	6%	0.058	15%	0.147	C	C	.	.	H	α-helix	trans	-58.1	-46.4	174.6	0	0	0	0	0	111.6	E271 R272 L273 Q278 G279 K280 T283 T286	E271-A275 PolarHBondContact O-N 2.92Å; E271-A275 VanDerWaalsContact O-N 3.15Å; R272-A275 WeakPolarHBondContact O-CB 3.43Å; R272-A275 PolarHBondContact O-N 3.36Å; L273-A275 VanDerWaalsContact C-N 3.32Å; L273-A275 PolarHBondContact O-N 3.07Å; A275-Q278 PolarHBondContact O-N 2.83Å; A275-G279 PolarHBondContact O-N 2.96Å; A275-G279 VanDerWaalsContact O-N 3.14Å; A275-K280 HydrophobicContact CB-CB 4.36Å; A275-K280 PolarHBondContact O-N 3.44Å; A275-T283 HydrophobicContact CB-CG2 4.33Å; A275-T286 HydrophobicContact CB-CG2 3.95Å
276	V	93.2	Very high	94.3	Very high	18 Å²	18	25.3 Å²	25.3	11%	0.109	15%	0.145	C	C	.	.	H	α-helix	trans	-60.5	-49.6	176.4	170.6	0	0	0	0	111.7	I162 Y226 L240 R272 L273 V274 Q278 G279	I162-V276 HydrophobicContact CD1-CG1 4.15Å; Y226-V276 HydrophobicContact CD1-CG1 4.22Å; Y226-V276 HydrophobicContact CD1-CG2 3.69Å; Y226-V276 HydrophobicContact CD2-CG1 3.95Å; Y226-V276 HydrophobicContact CE1-CG1 3.99Å; Y226-V276 HydrophobicContact CE1-CG2 4.01Å; Y226-V276 HydrophobicContact CE2-CG1 3.72Å; Y226-V276 HydrophobicContact CG-CG1 4.17Å; Y226-V276 HydrophobicContact CG-CG2 3.98Å; L240-V276 HydrophobicContact CD1-CG2 4.38Å; L240-V276 HydrophobicContact CD2-CG2 3.83Å; R272-V276 PolarHBondContact O-N 3.07Å; R272-V276 VanDerWaalsContact O-N 3.14Å; L273-V276 PolarHBondContact O-N 3.34Å; V274-V276 VanDerWaalsContact C-N 3.33Å; V274-V276 PolarHBondContact O-N 3.08Å; V276-Q278 VanDerWaalsContact C-N 3.25Å; V276-Q278 PolarHBondContact O-N 2.85Å; V276-G279 PolarHBondContact O-N 3.34Å
277	L	93.9	Very high	94.2	Very high	39 Å²	39	27.3 Å²	27.3	20%	0.204	16%	0.156	C	C	.	.	H	α-helix	trans	-69	-22.4	-177.1	-62.8	178.3	0	0	0	113.7	V42 Y160 I162 L273 V274	V42-L277 HydrophobicContact CB-CD1 4.42Å; V42-L277 HydrophobicContact CG1-CD1 3.82Å; V42-L277 HydrophobicContact CG2-CD1 3.68Å; Y160-L277 HydrophobicContact CD1-CD1 3.52Å; Y160-L277 HydrophobicContact CD1-CD2 4.43Å; Y160-L277 HydrophobicContact CE1-CD1 3.89Å; Y160-L277 HydrophobicContact CG-CD1 4.03Å; Y160-L277 HydrophobicContact CG-CD2 4.34Å; I162-L277 HydrophobicContact CD1-CD2 4.09Å; I162-L277 HydrophobicContact CG1-CD2 3.87Å; L273-L277 HydrophobicContact CD1-CD1 4.02Å; L273-L277 HydrophobicContact CD1-CG 4.13Å; L273-L277 HydrophobicContact CD2-CD1 4.46Å; L273-L277 HydrophobicContact CG-CD1 3.92Å; L273-L277 HydrophobicContact CG-CG 4.36Å; L273-L277 WeakPolarHBondContact O-CG 3.42Å; L273-L277 PolarHBondContact O-N 2.73Å; V274-L277 PolarHBondContact O-N 2.77Å
278	Q	93.9	Very high	94.1	Very high	34 Å²	34	26.8 Å²	26.8	16%	0.159	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	3.6	173.8	-64	-177	18.5	0	0	113.4	A36 A37 V274 A275 V276 K280 D287	A36-Q278 HydrophobicContact CB-CB 4.24Å; A36-Q278 HydrophobicContact CB-CG 3.93Å; A37-Q278 PolarHBondContact O-NE2 3.4Å; A37-Q278 VanDerWaalsContact O-NE2 3.08Å; V274-Q278 HydrophobicContact CG1-CG 4.24Å; V274-Q278 WeakPolarHBondContact O-CB 3.38Å; V274-Q278 WeakPolarHBondContact O-CG 3.16Å; V274-Q278 PolarHBondContact O-N 3.25Å; A275-Q278 PolarHBondContact O-N 2.83Å; V276-Q278 VanDerWaalsContact C-N 3.25Å; V276-Q278 PolarHBondContact O-N 2.85Å; Q278-K280 VanDerWaalsContact C-N 3.28Å; Q278-K280 HydrophobicContact CB-CG 3.96Å; Q278-K280 PolarHBondContact O-N 3.28Å; Q278-D287 PolarHBondContact NE2-OD1 3.42Å
279	G	90.8	Very high	94	Very high	63 Å²	63	26.8 Å²	26.8	65%	0.649	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	32.7	-178.8	0	0	0	0	0	113.2	A275 V276	A275-G279 PolarHBondContact O-N 2.96Å; A275-G279 VanDerWaalsContact O-N 3.14Å; V276-G279 PolarHBondContact O-N 3.34Å
280	K	91.3	Very high	93.9	Very high	87 Å²	87	28.7 Å²	28.7	38%	0.378	16%	0.161	S	C	.	.			trans	-101.9	144.3	179.3	-57	-58.3	-175.3	179.5	0	110.7	A275 Q278 D285 T286	A275-K280 HydrophobicContact CB-CB 4.36Å; A275-K280 PolarHBondContact O-N 3.44Å; Q278-K280 VanDerWaalsContact C-N 3.28Å; Q278-K280 HydrophobicContact CB-CG 3.96Å; Q278-K280 PolarHBondContact O-N 3.28Å; K280-D285 HydrophobicContact CB-CB 4.29Å; K280-D285 HydrophobicContact CD-CB 4.13Å; K280-D285 HydrophobicContact CG-CB 4.24Å; K280-T286 HydrophobicContact CG-CG2 4.45Å
281	H	86.9	Confident	93.9	Very high	131 Å²	131	30.6 Å²	30.6	61%	0.606	17%	0.173	S	C	*	.	S	Bend	trans	-87.6	-14.8	173.6	-71	-81.5	0	0	0	113.2
282	S	91.6	Very high	93.9	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.014	17%	0.172	C	C	.	.	S	Bend	trans	-123.9	135	-177.1	155.9	0	0	0	0	109.3	Y284 D285	S282-Y284 PolarHBondContact O-N 2.95Å; S282-Y284 PolarHBondContact OG-N 2.99Å; S282-D285 VanDerWaalsContact CB-CG 3.41Å; S282-D285 VanDerWaalsContact CB-OD1 3.28Å; S282-D285 WeakPolarHBondContact CB-OD1 3.5Å; S282-D285 PolarHBondContact O-N 2.8Å; S282-D285 PolarHBondContact OG-OD1 2.83Å
283	T	93.4	Very high	94	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.025	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-65.9	-28	175.5	58.2	0	0	0	0	111.4	L125 H128 E271 R272 A275 D285 T286 F289	L125-T283 PolarHBondContact O-N 3.29Å; L125-T283 PolarHBondContact O-OG1 3.46Å; H128-T283 PolarHBondContact CE1-OG1 2.91Å; H128-T283 WeakPolarHBondContact NE2-CB 3.41Å; H128-T283 PolarHBondContact NE2-OG1 3.22Å; E271-T283 HydrophobicContact CB-CG2 4.2Å; R272-T283 HydrophobicContact CG-CG2 4.22Å; A275-T283 HydrophobicContact CB-CG2 4.33Å; T283-D285 PolarHBondContact O-N 3.25Å; T283-T286 WeakPolarHBondContact O-CB 2.85Å; T283-T286 WeakPolarHBondContact O-CG2 3.43Å; T283-T286 PolarHBondContact O-N 3.12Å; T283-T286 PolarHBondContact O-OG1 2.87Å; T283-F289 VanDerWaalsContact O-CD2 3.27Å; T283-F289 WeakPolarHBondContact O-CD2 3.05Å
284	Y	94.9	Very high	94	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-71.7	-14.6	176.8	-58.2	-82.4	0	0	0	114	H127 H128 S282 T286 F289 L293 R322 D326	H127-Y284 PolarHBondContact O-OH 3.4Å; H128-Y284 AromaticContact CE1-CE1 3.65Å; H128-Y284 AromaticContact CE1-CZ 3.6Å; H128-Y284 AromaticContact ND1-CE1 3.87Å; H128-Y284 AromaticContact ND1-CZ 3.82Å; S282-Y284 PolarHBondContact O-N 2.95Å; S282-Y284 PolarHBondContact OG-N 2.99Å; Y284-T286 VanDerWaalsContact C-N 3.26Å; Y284-T286 PolarHBondContact O-N 2.94Å; Y284-F289 AromaticContact CD1-CD1 3.8Å; Y284-F289 HydrophobicContact CD1-CD1 3.8Å; Y284-F289 HydrophobicContact CD1-CD2 4.34Å; Y284-F289 AromaticContact CD1-CE1 3.91Å; Y284-F289 HydrophobicContact CD1-CE1 3.91Å; Y284-F289 HydrophobicContact CD1-CE2 4.42Å; Y284-F289 HydrophobicContact CD1-CG 4.02Å; Y284-F289 HydrophobicContact CD1-CZ 4.21Å; Y284-F289 HydrophobicContact CE1-CD1 4.32Å; Y284-F289 AromaticContact CE1-CE1 3.99Å; Y284-F289 HydrophobicContact CE1-CE1 3.99Å; Y284-F289 HydrophobicContact CE1-CZ 4.24Å; Y284-F289 VanDerWaalsContact O-CB 3.29Å; Y284-F289 WeakPolarHBondContact O-CB 3.36Å; Y284-L293 VanDerWaalsContact O-CD1 3.3Å; Y284-L293 WeakPolarHBondContact O-CD1 3.47Å; Y284-R322 HydrophobicContact CD1-CB 4.11Å; Y284-R322 HydrophobicContact CD1-CG 3.84Å; Y284-R322 HydrophobicContact CD2-CB 4.45Å; Y284-R322 HydrophobicContact CD2-CG 3.67Å; Y284-R322 HydrophobicContact CE1-CB 3.76Å; Y284-R322 HydrophobicContact CE1-CG 3.94Å; Y284-R322 HydrophobicContact CE2-CB 4.12Å; Y284-R322 HydrophobicContact CE2-CG 3.77Å; Y284-R322 HydrophobicContact CG-CB 4.42Å; Y284-R322 HydrophobicContact CG-CG 3.68Å; Y284-D326 HydrophobicContact CE1-CB 4.4Å
285	D	94.3	Very high	94	Very high	59 Å²	59	34.7 Å²	34.7	32%	0.316	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-92	7.5	-177.1	-57.9	9.9	0	0	0	112	K280 S282 T283 Y305	K280-D285 HydrophobicContact CB-CB 4.29Å; K280-D285 HydrophobicContact CD-CB 4.13Å; K280-D285 HydrophobicContact CG-CB 4.24Å; S282-D285 VanDerWaalsContact CB-CG 3.41Å; S282-D285 VanDerWaalsContact CB-OD1 3.28Å; S282-D285 WeakPolarHBondContact CB-OD1 3.5Å; S282-D285 PolarHBondContact O-N 2.8Å; S282-D285 PolarHBondContact OG-OD1 2.83Å; T283-D285 PolarHBondContact O-N 3.25Å; D285-Y305 WeakPolarHBondContact OD1-CE1 3.45Å
286	T	95.3	Very high	94.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-93.4	169.4	-178.5	67	0	0	0	0	111.9	V274 A275 K280 T283 Y284 L288 F289 S290	V274-T286 HydrophobicContact CG1-CG2 3.93Å; A275-T286 HydrophobicContact CB-CG2 3.95Å; K280-T286 HydrophobicContact CG-CG2 4.45Å; T283-T286 WeakPolarHBondContact O-CB 2.85Å; T283-T286 WeakPolarHBondContact O-CG2 3.43Å; T283-T286 PolarHBondContact O-N 3.12Å; T283-T286 PolarHBondContact O-OG1 2.87Å; Y284-T286 VanDerWaalsContact C-N 3.26Å; Y284-T286 PolarHBondContact O-N 2.94Å; T286-L288 PolarHBondContact O-N 2.7Å; T286-L288 VanDerWaalsContact O-N 3.12Å; T286-L288 PolarHBondContact OG1-N 2.76Å; T286-F289 PolarHBondContact O-N 3.08Å; T286-F289 VanDerWaalsContact O-N 3.1Å; T286-S290 WeakPolarHBondContact O-CB 3.35Å; T286-S290 PolarHBondContact O-N 2.81Å; T286-S290 PolarHBondContact O-OG 3.35Å
287	D	94.3	Very high	94.2	Very high	43 Å²	43	36.2 Å²	36.2	23%	0.23	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-11.4	173.6	68.6	-33.6	0	0	0	114.2	K38 A39 Q278 F289 P291	K38-D287 WeakPolarHBondContact CA-OD2 3.38Å; K38-D287 WeakPolarHBondContact CB-OD2 3.32Å; A39-D287 WeakPolarHBondContact CB-OD1 3.45Å; A39-D287 PolarHBondContact N-OD1 2.89Å; A39-D287 PolarHBondContact N-OD2 2.86Å; Q278-D287 PolarHBondContact NE2-OD1 3.42Å; D287-F289 VanDerWaalsContact C-N 3.35Å; D287-P291 WeakPolarHBondContact O-CD 3.35Å
288	L	93.8	Very high	94.2	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-22.7	172	-68.4	170.4	0	0	0	113.7	A39 E271 V274 T286 T382	A39-L288 HydrophobicContact CB-CD1 4.13Å; A39-L288 HydrophobicContact CB-CD2 3.46Å; A39-L288 VanDerWaalsContact CB-CD2 3.46Å; A39-L288 HydrophobicContact CB-CG 3.59Å; E271-L288 HydrophobicContact CB-CD1 4.44Å; E271-L288 HydrophobicContact CG-CD1 3.94Å; V274-L288 HydrophobicContact CB-CD1 4.33Å; V274-L288 HydrophobicContact CG1-CD1 4.44Å; V274-L288 HydrophobicContact CG2-CD1 4.31Å; T286-L288 PolarHBondContact O-N 2.7Å; T286-L288 VanDerWaalsContact O-N 3.12Å; T286-L288 PolarHBondContact OG1-N 2.76Å; L288-T382 HydrophobicContact CD2-CG2 4.32Å
289	F	96.1	Very high	94.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-26.6	-175.1	-71.6	-85.3	0	0	0	113.3	H128 E271 T283 Y284 T286 D287 P291 L292 L293 A325	H128-F289 AromaticContact CE1-CE2 3.47Å; H128-F289 VanDerWaalsContact CE1-CE2 3.47Å; H128-F289 WeakPolarHBondContact CE1-CE2 3.44Å; H128-F289 AromaticContact CE1-CZ 3.21Å; H128-F289 WeakPolarHBondContact CE1-CZ 3.41Å; H128-F289 AromaticContact ND1-CZ 3.42Å; H128-F289 WeakPolarHBondContact ND1-CZ 3.41Å; H128-F289 AromaticContact NE2-CE2 3.87Å; H128-F289 AromaticContact NE2-CZ 3.94Å; E271-F289 HydrophobicContact CG-CE2 4.09Å; T283-F289 VanDerWaalsContact O-CD2 3.27Å; T283-F289 WeakPolarHBondContact O-CD2 3.05Å; Y284-F289 AromaticContact CD1-CD1 3.8Å; Y284-F289 HydrophobicContact CD1-CD1 3.8Å; Y284-F289 HydrophobicContact CD1-CD2 4.34Å; Y284-F289 AromaticContact CD1-CE1 3.91Å; Y284-F289 HydrophobicContact CD1-CE1 3.91Å; Y284-F289 HydrophobicContact CD1-CE2 4.42Å; Y284-F289 HydrophobicContact CD1-CG 4.02Å; Y284-F289 HydrophobicContact CD1-CZ 4.21Å; Y284-F289 HydrophobicContact CE1-CD1 4.32Å; Y284-F289 AromaticContact CE1-CE1 3.99Å; Y284-F289 HydrophobicContact CE1-CE1 3.99Å; Y284-F289 HydrophobicContact CE1-CZ 4.24Å; Y284-F289 VanDerWaalsContact O-CB 3.29Å; Y284-F289 WeakPolarHBondContact O-CB 3.36Å; T286-F289 PolarHBondContact O-N 3.08Å; T286-F289 VanDerWaalsContact O-N 3.1Å; D287-F289 VanDerWaalsContact C-N 3.35Å; F289-P291 VanDerWaalsContact C-N 3.31Å; F289-L292 WeakPolarHBondContact O-CA 3.44Å; F289-L292 WeakPolarHBondContact O-CB 3.38Å; F289-L292 PolarHBondContact O-N 2.79Å; F289-L293 WeakPolarHBondContact O-CG 3.47Å; F289-L293 PolarHBondContact O-N 3.15Å; F289-A325 HydrophobicContact CD1-CB 4.16Å
290	S	94.4	Very high	94.2	Very high	57 Å²	57	37.4 Å²	37.4	40%	0.399	20%	0.2	S	C	.	.	H	α-helix	trans	-53.9	-37.9	-177.4	70.4	0	0	0	0	114.6	T286 L292 L293 H294	T286-S290 WeakPolarHBondContact O-CB 3.35Å; T286-S290 PolarHBondContact O-N 2.81Å; T286-S290 PolarHBondContact O-OG 3.35Å; S290-L292 PolarHBondContact O-N 3.44Å; S290-L293 PolarHBondContact O-N 3.48Å; S290-H294 WeakPolarHBondContact O-CB 3.47Å; S290-H294 PolarHBondContact O-N 3.23Å
291	P	96.1	Very high	94.1	Very high	39 Å²	39	44.1 Å²	44.1	25%	0.253	22%	0.224	S	C	.	.	H	α-helix	trans	-64.3	-40.4	175.5	-20.1	35.1	0	0	0	112.5	D287 F289 H294 A295 V378	D287-P291 WeakPolarHBondContact O-CD 3.35Å; F289-P291 VanDerWaalsContact C-N 3.31Å; P291-H294 PolarHBondContact O-N 3.43Å; P291-A295 WeakPolarHBondContact O-CB 3.46Å; P291-A295 PolarHBondContact O-N 2.9Å; P291-V378 HydrophobicContact CB-CG1 3.83Å
292	L	96.2	Very high	94.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-45.5	177	-76.6	166.3	0	0	0	111.6	F289 S290 H294 A295 I296 A325 I328 R329 L375 V378 V379	F289-L292 WeakPolarHBondContact O-CA 3.44Å; F289-L292 WeakPolarHBondContact O-CB 3.38Å; F289-L292 PolarHBondContact O-N 2.79Å; S290-L292 PolarHBondContact O-N 3.44Å; L292-H294 VanDerWaalsContact C-N 3.26Å; L292-H294 PolarHBondContact O-N 3.25Å; L292-A295 PolarHBondContact O-N 3.44Å; L292-I296 WeakPolarHBondContact O-CG1 3.41Å; L292-I296 PolarHBondContact O-N 3.12Å; L292-A325 HydrophobicContact CB-CB 4.16Å; L292-I328 HydrophobicContact CD2-CG2 4.09Å; L292-R329 HydrophobicContact CD1-CG 3.72Å; L292-L375 HydrophobicContact CD2-CB 4.45Å; L292-V378 HydrophobicContact CD2-CB 3.83Å; L292-V378 HydrophobicContact CD2-CG1 3.8Å; L292-V378 HydrophobicContact CG-CG1 3.97Å; L292-V379 HydrophobicContact CD1-CG2 4.29Å; L292-V379 HydrophobicContact CD2-CG2 3.86Å
293	L	96.6	Very high	94.1	Very high	14 Å²	14	42.5 Å²	42.5	7%	0.073	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-40.2	177	-63.3	-178.2	0	0	0	111.3	Y284 F289 S290 I296 Q297 Y305 Y321 A325	Y284-L293 VanDerWaalsContact O-CD1 3.3Å; Y284-L293 WeakPolarHBondContact O-CD1 3.47Å; F289-L293 WeakPolarHBondContact O-CG 3.47Å; F289-L293 PolarHBondContact O-N 3.15Å; S290-L293 PolarHBondContact O-N 3.48Å; L293-I296 PolarHBondContact O-N 3.35Å; L293-Q297 PolarHBondContact O-N 3.45Å; L293-Y305 HydrophobicContact CD1-CD1 3.77Å; L293-Y305 HydrophobicContact CD1-CE1 3.93Å; L293-Y305 HydrophobicContact CD1-CG 4.16Å; L293-Y321 HydrophobicContact CD2-CD1 3.97Å; L293-Y321 HydrophobicContact CD2-CG 4.39Å; L293-Y321 WeakPolarHBondContact O-CE1 3.4Å; L293-A325 HydrophobicContact CD2-CB 3.97Å
294	H	96.1	Very high	94	Very high	106 Å²	106	45.7 Å²	45.7	49%	0.491	25%	0.246	S	C	.	.	H	α-helix	trans	-65	-44.7	174.6	-171.8	66.9	0	0	0	112.2	S290 P291 L292 I296 Q297 Q298	S290-H294 WeakPolarHBondContact O-CB 3.47Å; S290-H294 PolarHBondContact O-N 3.23Å; P291-H294 PolarHBondContact O-N 3.43Å; L292-H294 VanDerWaalsContact C-N 3.26Å; L292-H294 PolarHBondContact O-N 3.25Å; H294-I296 VanDerWaalsContact C-N 3.3Å; H294-I296 PolarHBondContact O-N 3.49Å; H294-Q297 WeakPolarHBondContact O-CB 3.39Å; H294-Q297 PolarHBondContact O-N 2.97Å; H294-Q298 WeakPolarHBondContact O-CG 3.21Å; H294-Q298 PolarHBondContact O-N 3.48Å
295	A	96.4	Very high	93.9	Very high	23 Å²	23	47.7 Å²	47.7	19%	0.19	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-38.7	176.2	0	0	0	0	0	112.2	P291 L292 Q298 G299 L375 V378	P291-A295 WeakPolarHBondContact O-CB 3.46Å; P291-A295 PolarHBondContact O-N 2.9Å; L292-A295 PolarHBondContact O-N 3.44Å; A295-Q298 PolarHBondContact O-N 3.47Å; A295-G299 PolarHBondContact O-N 2.84Å; A295-L375 HydrophobicContact CB-CD2 3.71Å; A295-V378 HydrophobicContact CB-CG2 3.95Å
296	I	96.7	Very high	93.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.3	-47.9	172.9	-65.8	162.8	0	0	0	111	L292 L293 H294 Q298 G299 C300 Y321 V324 A325 L365 F371 L375	L292-I296 WeakPolarHBondContact O-CG1 3.41Å; L292-I296 PolarHBondContact O-N 3.12Å; L293-I296 PolarHBondContact O-N 3.35Å; H294-I296 VanDerWaalsContact C-N 3.3Å; H294-I296 PolarHBondContact O-N 3.49Å; I296-Q298 VanDerWaalsContact C-N 3.33Å; I296-Q298 PolarHBondContact O-N 2.91Å; I296-G299 PolarHBondContact O-N 3.28Å; I296-C300 VanDerWaalsContact O-CB 3.26Å; I296-C300 WeakPolarHBondContact O-CB 3.49Å; I296-C300 PolarHBondContact O-N 3.37Å; I296-C300 PolarHBondContact O-SG 3.2Å; I296-C300 VanDerWaalsContact O-SG 3.38Å; I296-Y321 HydrophobicContact CB-CD1 3.88Å; I296-Y321 HydrophobicContact CB-CE1 3.76Å; I296-Y321 HydrophobicContact CD1-CD1 4.44Å; I296-Y321 HydrophobicContact CG2-CD1 3.5Å; I296-Y321 VanDerWaalsContact CG2-CD1 3.5Å; I296-Y321 HydrophobicContact CG2-CE1 3.39Å; I296-Y321 HydrophobicContact CG2-CG 4.42Å; I296-V324 HydrophobicContact CD1-CB 4.07Å; I296-V324 HydrophobicContact CD1-CG1 3.77Å; I296-V324 HydrophobicContact CG1-CG1 4.08Å; I296-A325 HydrophobicContact CD1-CB 3.86Å; I296-L365 HydrophobicContact CG2-CD1 3.56Å; I296-F371 HydrophobicContact CG1-CE1 4.41Å; I296-F371 HydrophobicContact CG1-CZ 4.31Å; I296-L375 HydrophobicContact CD1-CD1 4.41Å; I296-L375 HydrophobicContact CG1-CD1 3.84Å; I296-L375 HydrophobicContact CG1-CD2 4.08Å
297	Q	95.5	Very high	93.7	Very high	58 Å²	58	50.8 Å²	50.8	27%	0.271	28%	0.275	S	S	.	.	H	α-helix	trans	-58.1	-46.8	177.9	-173.1	-171.8	5.7	0	0	111.6	L293 H294 R301 Y321	L293-Q297 PolarHBondContact O-N 3.45Å; H294-Q297 WeakPolarHBondContact O-CB 3.39Å; H294-Q297 PolarHBondContact O-N 2.97Å; Q297-R301 VanDerWaalsContact O-CA 3.28Å; Q297-R301 WeakPolarHBondContact O-CA 3.27Å; Q297-R301 PolarHBondContact O-N 2.96Å; Q297-Y321 WeakPolarHBondContact CA-OH 3.22Å; Q297-Y321 HydrophobicContact CB-CE1 4.16Å; Q297-Y321 WeakPolarHBondContact CB-OH 3.28Å
298	Q	93.7	Very high	93.6	Very high	116 Å²	116	54.7 Å²	54.7	54%	0.542	29%	0.287	S	S	.	.	H	α-helix	trans	-66.9	-45.1	-179.3	-66.3	-53.7	-46.6	0	0	112.6	H294 A295 I296	H294-Q298 WeakPolarHBondContact O-CG 3.21Å; H294-Q298 PolarHBondContact O-N 3.48Å; A295-Q298 PolarHBondContact O-N 3.47Å; I296-Q298 VanDerWaalsContact C-N 3.33Å; I296-Q298 PolarHBondContact O-N 2.91Å
299	G	91.8	Very high	93.4	Very high	32 Å²	32	57.1 Å²	57.1	33%	0.33	30%	0.302	S	S	.	.	H	α-helix	trans	-72.9	-37.4	-176.1	0	0	0	0	0	113.7	A295 I296	A295-G299 PolarHBondContact O-N 2.84Å; I296-G299 PolarHBondContact O-N 3.28Å
300	C	92	Very high	93	Very high	12 Å²	12	60 Å²	60	8%	0.081	33%	0.331	C	S	.	.	H	α-helix	trans	-85.8	-20.3	178.6	-59.4	0	0	0	0	113.1	I296 A302 L365 A367 F371	I296-C300 VanDerWaalsContact O-CB 3.26Å; I296-C300 WeakPolarHBondContact O-CB 3.49Å; I296-C300 PolarHBondContact O-N 3.37Å; I296-C300 PolarHBondContact O-SG 3.2Å; I296-C300 VanDerWaalsContact O-SG 3.38Å; C300-A302 HydrophobicContact CB-CB 3.99Å; C300-A302 PolarHBondContact O-N 2.95Å; C300-L365 HydrophobicContact CB-CB 4.07Å; C300-L365 WeakPolarHBondContact CB-O 3.37Å; C300-A367 VanDerWaalsContact SG-CB 3.55Å; C300-F371 WeakPolarHBondContact SG-CE1 3.39Å
301	R	89.6	Confident	92.6	Very high	229 Å²	229	64.7 Å²	64.7	86%	0.864	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	32.3	-167	-52.6	178.9	179	-178.7	-0.4	112.3	Q297	Q297-R301 VanDerWaalsContact O-CA 3.28Å; Q297-R301 WeakPolarHBondContact O-CA 3.27Å; Q297-R301 PolarHBondContact O-N 2.96Å
302	A	87.8	Confident	92.2	Very high	14 Å²	14	65.5 Å²	65.5	12%	0.116	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-79.5	161.6	179.4	0	0	0	0	0	111.3	C300 Y321 L365	C300-A302 HydrophobicContact CB-CB 3.99Å; C300-A302 PolarHBondContact O-N 2.95Å; A302-Y321 HydrophobicContact CB-CE2 4.35Å; A302-L365 HydrophobicContact CB-CD2 4.01Å
303	P	90.3	Very high	91.8	Very high	84 Å²	84	66 Å²	66	55%	0.545	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-53.4	152.9	170.1	-24.6	34.9	0	0	0	112	Y321	P303-Y321 VanDerWaalsContact O-CE2 3.29Å; P303-Y321 WeakPolarHBondContact O-CE2 3.4Å; P303-Y321 PolarHBondContact O-OH 2.94Å
304	P	91.6	Very high	91.1	Very high	71 Å²	71	73.8 Å²	73.8	46%	0.461	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-61.7	145.7	179	27.2	-34.4	0	0	0	111.1	L306	P304-L306 HydrophobicContact CG-CD2 4.45Å; P304-L306 PolarHBondContact O-N 3.42Å
305	Y	94	Very high	90.3	Very high	42 Å²	42	71.3 Å²	71.3	17%	0.165	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-64.3	129.7	172.5	175.1	-103.7	0	0	0	110.8	D285 L293 D318 Y321 R322	D285-Y305 WeakPolarHBondContact OD1-CE1 3.45Å; L293-Y305 HydrophobicContact CD1-CD1 3.77Å; L293-Y305 HydrophobicContact CD1-CE1 3.93Å; L293-Y305 HydrophobicContact CD1-CG 4.16Å; Y305-D318 WeakPolarHBondContact CA-OD1 3.49Å; Y305-D318 HydrophobicContact CD2-CB 3.84Å; Y305-D318 WeakPolarHBondContact CD2-OD1 3.4Å; Y305-D318 HydrophobicContact CE2-CB 3.72Å; Y305-Y321 HydrophobicContact CD2-CD2 4.23Å; Y305-Y321 HydrophobicContact CD2-CG 4.04Å; Y305-R322 HydrophobicContact CE2-CG 4.01Å; Y305-R322 PolarHBondContact OH-NH1 3.23Å
306	L	93	Very high	90	Very high	104 Å²	104	75.1 Å²	75.1	55%	0.545	42%	0.418	S	S	.	.			trans	-116.7	-0.9	-176	-60	-179.9	0	0	0	114.2	P304 R308 D318	P304-L306 HydrophobicContact CG-CD2 4.45Å; P304-L306 PolarHBondContact O-N 3.42Å; L306-R308 HydrophobicContact CB-CG 4.1Å; L306-R308 PolarHBondContact O-N 3.18Å; L306-D318 VanDerWaalsContact C-OD2 3.29Å; L306-D318 WeakPolarHBondContact CA-OD2 3.38Å; L306-D318 WeakPolarHBondContact CB-OD2 3.21Å; L306-D318 PolarHBondContact N-OD1 3.3Å; L306-D318 PolarHBondContact N-OD2 3.18Å
307	G	91.1	Very high	89.8	Confident	21 Å²	21	76.6 Å²	76.6	22%	0.216	43%	0.427	C	S	.	.			trans	73.4	19.5	178.9	0	0	0	0	0	115.4	D318	G307-D318 PolarHBondContact N-OD2 2.99Å
308	R	92.6	Very high	89.7	Confident	124 Å²	124	74.1 Å²	74.1	47%	0.468	42%	0.416	S	S	.	.			trans	-79.2	151.5	-179.5	-56.6	-177.2	-173.9	177.5	-1.6	111.8	L306 A312 D313 D318 R322	L306-R308 HydrophobicContact CB-CG 4.1Å; L306-R308 PolarHBondContact O-N 3.18Å; R308-A312 HydrophobicContact CB-CB 4.31Å; R308-A312 WeakPolarHBondContact CD-O 3.48Å; R308-D313 HydrophobicContact CB-CB 3.97Å; R308-D318 WeakPolarHBondContact CB-OD2 3.33Å; R308-D318 PolarHBondContact N-OD2 2.97Å; R308-R322 PolarHBondContact O-NH1 3.39Å; R308-R322 PolarHBondContact O-NH2 2.81Å
309	V	90.1	Very high	89.7	Confident	54 Å²	54	69.1 Å²	69.1	33%	0.327	39%	0.394	S	S	.	.			trans	-135.8	157.3	179.3	-66.1	0	0	0	0	111.3	L125 V311 A312	L125-V309 HydrophobicContact CD1-CG1 4.49Å; L125-V309 HydrophobicContact CD2-CG1 3.52Å; L125-V309 HydrophobicContact CG-CG1 3.84Å; V309-V311 PolarHBondContact O-N 3.42Å; V309-A312 WeakPolarHBondContact O-CB 3.48Å; V309-A312 PolarHBondContact O-N 3.21Å
310	G	87.8	Confident	89.8	Confident	59 Å²	59	67.6 Å²	67.6	61%	0.608	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	55.9	-134.9	175.8	0	0	0	0	0	113	A312 D313	G310-A312 PolarHBondContact O-N 2.94Å; G310-A312 VanDerWaalsContact O-N 3.14Å; G310-D313 PolarHBondContact O-N 3.07Å; G310-D313 VanDerWaalsContact O-N 3.11Å
311	V	84.8	Confident	90	Very high	157 Å²	157	67 Å²	67	95%	0.952	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-62.7	-19.2	-178.5	-61.6	0	0	0	0	114	V309	V309-V311 PolarHBondContact O-N 3.42Å
312	A	88.4	Confident	90.4	Very high	56 Å²	56	56.1 Å²	56.1	46%	0.463	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-79.2	-20.9	178.1	0	0	0	0	0	112.8	R308 V309 G310 E314	R308-A312 HydrophobicContact CB-CB 4.31Å; R308-A312 WeakPolarHBondContact CD-O 3.48Å; V309-A312 WeakPolarHBondContact O-CB 3.48Å; V309-A312 PolarHBondContact O-N 3.21Å; G310-A312 PolarHBondContact O-N 2.94Å; G310-A312 VanDerWaalsContact O-N 3.14Å; A312-E314 VanDerWaalsContact C-N 3.32Å; A312-E314 PolarHBondContact O-N 3.31Å
313	D	88.9	Confident	90.7	Very high	9 Å²	9	55.5 Å²	55.5	5%	0.048	33%	0.327	C	S	.	.	S	Bend	trans	-91.5	65	176.6	-174.3	21.5	0	0	0	110.3	R308 G310 G315 R316 T317 D318 T319 R322	R308-D313 HydrophobicContact CB-CB 3.97Å; G310-D313 PolarHBondContact O-N 3.07Å; G310-D313 VanDerWaalsContact O-N 3.11Å; D313-G315 PolarHBondContact O-N 2.86Å; D313-R316 WeakPolarHBondContact O-CA 3.42Å; D313-R316 PolarHBondContact O-N 3.1Å; D313-R316 VanDerWaalsContact OD2-C 3.31Å; D313-R316 VanDerWaalsContact OD2-CA 3.3Å; D313-R316 WeakPolarHBondContact OD2-CA 3.44Å; D313-T317 PolarHBondContact OD1-N 2.97Å; D313-D318 PolarHBondContact OD1-N 3.4Å; D313-D318 PolarHBondContact OD2-N 3.39Å; D313-T319 WeakPolarHBondContact OD2-CB 3.31Å; D313-T319 PolarHBondContact OD2-N 3.46Å; D313-T319 PolarHBondContact OD2-OG1 3.03Å; D313-R322 IonicContact OD2-NH2 3.49Å
314	E	80.5	Confident	91	Very high	179 Å²	179	51.5 Å²	51.5	84%	0.836	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	123	178.4	-166	176.8	-171.5	0	0	110.2	A312 R316	A312-E314 VanDerWaalsContact C-N 3.32Å; A312-E314 PolarHBondContact O-N 3.31Å; E314-R316 VanDerWaalsContact C-N 3.31Å
315	G	80.8	Confident	91.2	Very high	54 Å²	54	48.1 Å²	48.1	56%	0.557	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	2.6	-173.1	0	0	0	0	0	115.2	D313 T317 I364	D313-G315 PolarHBondContact O-N 2.86Å; G315-T317 VanDerWaalsContact C-N 3.25Å; G315-T317 PolarHBondContact O-N 3.45Å; G315-I364 WeakPolarHBondContact O-CG2 3.47Å
316	R	88.7	Confident	91.4	Very high	102 Å²	102	46.1 Å²	46.1	39%	0.385	27%	0.272	S	S	.	.	S	Bend	trans	59.4	30.1	172.8	-55.4	175.5	67.6	178.8	4.5	114.2	D313 E314 T319 A320 I364	D313-R316 WeakPolarHBondContact O-CA 3.42Å; D313-R316 PolarHBondContact O-N 3.1Å; D313-R316 VanDerWaalsContact OD2-C 3.31Å; D313-R316 VanDerWaalsContact OD2-CA 3.3Å; D313-R316 WeakPolarHBondContact OD2-CA 3.44Å; E314-R316 VanDerWaalsContact C-N 3.31Å; R316-T319 WeakPolarHBondContact O-CB 3.31Å; R316-A320 WeakPolarHBondContact O-CB 3.27Å; R316-A320 PolarHBondContact O-N 2.92Å; R316-I364 HydrophobicContact CB-CD1 3.87Å
317	T	92.8	Very high	91.5	Very high	32 Å²	32	41.2 Å²	41.2	20%	0.196	25%	0.246	C	C	.	.	H	α-helix	trans	-67.7	-48.7	-175.1	-62.4	0	0	0	0	110.6	D313 G315 T319 A320 Y321 L365	D313-T317 PolarHBondContact OD1-N 2.97Å; G315-T317 VanDerWaalsContact C-N 3.25Å; G315-T317 PolarHBondContact O-N 3.45Å; T317-T319 VanDerWaalsContact C-N 3.3Å; T317-T319 PolarHBondContact O-N 3.1Å; T317-A320 WeakPolarHBondContact O-CB 3.36Å; T317-A320 PolarHBondContact O-N 3.49Å; T317-A320 VanDerWaalsContact O-N 3.09Å; T317-Y321 HydrophobicContact CG2-CD2 3.96Å; T317-Y321 HydrophobicContact CG2-CE2 3.75Å; T317-Y321 VanDerWaalsContact O-CD2 3.27Å; T317-Y321 WeakPolarHBondContact O-CD2 3.29Å; T317-Y321 PolarHBondContact O-N 3.19Å; T317-L365 HydrophobicContact CG2-CD2 4.12Å
318	D	94.4	Very high	91.8	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.027	24%	0.236	C	C	.	.	H	α-helix	trans	-68.4	-33.8	-179	-73.3	-14.3	0	0	0	111.3	Y305 L306 G307 R308 D313 A320 Y321 R322	Y305-D318 WeakPolarHBondContact CA-OD1 3.49Å; Y305-D318 HydrophobicContact CD2-CB 3.84Å; Y305-D318 WeakPolarHBondContact CD2-OD1 3.4Å; Y305-D318 HydrophobicContact CE2-CB 3.72Å; L306-D318 VanDerWaalsContact C-OD2 3.29Å; L306-D318 WeakPolarHBondContact CA-OD2 3.38Å; L306-D318 WeakPolarHBondContact CB-OD2 3.21Å; L306-D318 PolarHBondContact N-OD1 3.3Å; L306-D318 PolarHBondContact N-OD2 3.18Å; G307-D318 PolarHBondContact N-OD2 2.99Å; R308-D318 WeakPolarHBondContact CB-OD2 3.33Å; R308-D318 PolarHBondContact N-OD2 2.97Å; D313-D318 PolarHBondContact OD1-N 3.4Å; D313-D318 PolarHBondContact OD2-N 3.39Å; D318-A320 VanDerWaalsContact C-N 3.34Å; D318-A320 PolarHBondContact O-N 3.37Å; D318-Y321 WeakPolarHBondContact O-CB 3.25Å; D318-Y321 PolarHBondContact O-N 3.34Å; D318-R322 WeakPolarHBondContact O-CG 3.27Å; D318-R322 PolarHBondContact O-N 3.43Å
319	T	93.4	Very high	92	Very high	12 Å²	12	34.4 Å²	34.4	7%	0.074	21%	0.214	C	C	.	.	H	α-helix	trans	-58	-46.1	169.3	-59	0	0	0	0	111.1	G122 D313 R316 T317 R322 V323 F360	G122-T319 WeakPolarHBondContact O-CG2 3.34Å; G122-T319 PolarHBondContact O-OG1 2.88Å; D313-T319 WeakPolarHBondContact OD2-CB 3.31Å; D313-T319 PolarHBondContact OD2-N 3.46Å; D313-T319 PolarHBondContact OD2-OG1 3.03Å; R316-T319 WeakPolarHBondContact O-CB 3.31Å; T317-T319 VanDerWaalsContact C-N 3.3Å; T317-T319 PolarHBondContact O-N 3.1Å; T319-R322 PolarHBondContact O-N 3.49Å; T319-R322 PolarHBondContact OG1-NH2 3.23Å; T319-V323 HydrophobicContact CG2-CG2 4.38Å; T319-V323 VanDerWaalsContact O-CG2 3.31Å; T319-V323 WeakPolarHBondContact O-CG2 3.2Å; T319-V323 PolarHBondContact O-N 3.46Å; T319-F360 HydrophobicContact CG2-CE1 3.9Å; T319-F360 HydrophobicContact CG2-CZ 4.37Å
320	A	93.4	Very high	92.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-41.5	179.3	0	0	0	0	0	112.2	R316 T317 D318 R322 V323 V324 F360 I364 L365	R316-A320 WeakPolarHBondContact O-CB 3.27Å; R316-A320 PolarHBondContact O-N 2.92Å; T317-A320 WeakPolarHBondContact O-CB 3.36Å; T317-A320 PolarHBondContact O-N 3.49Å; T317-A320 VanDerWaalsContact O-N 3.09Å; D318-A320 VanDerWaalsContact C-N 3.34Å; D318-A320 PolarHBondContact O-N 3.37Å; A320-R322 PolarHBondContact O-N 3.33Å; A320-V323 PolarHBondContact O-N 2.98Å; A320-V324 WeakPolarHBondContact O-CB 3.48Å; A320-V324 VanDerWaalsContact O-CG2 3.25Å; A320-V324 WeakPolarHBondContact O-CG2 3.33Å; A320-V324 PolarHBondContact O-N 2.99Å; A320-F360 HydrophobicContact CB-CB 4.1Å; A320-F360 HydrophobicContact CB-CD1 3.7Å; A320-F360 HydrophobicContact CB-CG 4.37Å; A320-I364 HydrophobicContact CB-CB 3.89Å; A320-I364 HydrophobicContact CB-CD1 4.5Å; A320-I364 HydrophobicContact CB-CG2 3.82Å; A320-L365 HydrophobicContact CB-CD1 4.02Å; A320-L365 HydrophobicContact CB-CD2 3.87Å; A320-L365 HydrophobicContact CB-CG 3.67Å
321	Y	96.6	Very high	92.7	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-54.8	-51.3	172.6	-90.4	-77.3	0	0	0	111.9	L293 I296 Q297 A302 P303 Y305 T317 D318 A325 L365	L293-Y321 HydrophobicContact CD2-CD1 3.97Å; L293-Y321 HydrophobicContact CD2-CG 4.39Å; L293-Y321 WeakPolarHBondContact O-CE1 3.4Å; I296-Y321 HydrophobicContact CB-CD1 3.88Å; I296-Y321 HydrophobicContact CB-CE1 3.76Å; I296-Y321 HydrophobicContact CD1-CD1 4.44Å; I296-Y321 HydrophobicContact CG2-CD1 3.5Å; I296-Y321 VanDerWaalsContact CG2-CD1 3.5Å; I296-Y321 HydrophobicContact CG2-CE1 3.39Å; I296-Y321 HydrophobicContact CG2-CG 4.42Å; Q297-Y321 WeakPolarHBondContact CA-OH 3.22Å; Q297-Y321 HydrophobicContact CB-CE1 4.16Å; Q297-Y321 WeakPolarHBondContact CB-OH 3.28Å; A302-Y321 HydrophobicContact CB-CE2 4.35Å; P303-Y321 VanDerWaalsContact O-CE2 3.29Å; P303-Y321 WeakPolarHBondContact O-CE2 3.4Å; P303-Y321 PolarHBondContact O-OH 2.94Å; Y305-Y321 HydrophobicContact CD2-CD2 4.23Å; Y305-Y321 HydrophobicContact CD2-CG 4.04Å; T317-Y321 HydrophobicContact CG2-CD2 3.96Å; T317-Y321 HydrophobicContact CG2-CE2 3.75Å; T317-Y321 VanDerWaalsContact O-CD2 3.27Å; T317-Y321 WeakPolarHBondContact O-CD2 3.29Å; T317-Y321 PolarHBondContact O-N 3.19Å; D318-Y321 WeakPolarHBondContact O-CB 3.25Å; D318-Y321 PolarHBondContact O-N 3.34Å; Y321-A325 VanDerWaalsContact O-CB 3.29Å; Y321-A325 WeakPolarHBondContact O-CB 3.46Å; Y321-A325 PolarHBondContact O-N 3.42Å; Y321-L365 HydrophobicContact CD2-CD2 3.95Å; Y321-L365 HydrophobicContact CE2-CD2 3.87Å
322	R	96.4	Very high	93.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.7	-47.8	179.5	-71.6	-174.2	-68.4	-91	-0.5	112.4	G122 D124 Y284 Y305 R308 D313 D318 T319 A320 A325 D326	G122-R322 PolarHBondContact O-NE 3.39Å; G122-R322 PolarHBondContact O-NH2 3.16Å; D124-R322 WeakPolarHBondContact O-CD 3.4Å; D124-R322 PolarHBondContact O-NE 3.49Å; Y284-R322 HydrophobicContact CD1-CB 4.11Å; Y284-R322 HydrophobicContact CD1-CG 3.84Å; Y284-R322 HydrophobicContact CD2-CB 4.45Å; Y284-R322 HydrophobicContact CD2-CG 3.67Å; Y284-R322 HydrophobicContact CE1-CB 3.76Å; Y284-R322 HydrophobicContact CE1-CG 3.94Å; Y284-R322 HydrophobicContact CE2-CB 4.12Å; Y284-R322 HydrophobicContact CE2-CG 3.77Å; Y284-R322 HydrophobicContact CG-CB 4.42Å; Y284-R322 HydrophobicContact CG-CG 3.68Å; Y305-R322 HydrophobicContact CE2-CG 4.01Å; Y305-R322 PolarHBondContact OH-NH1 3.23Å; R308-R322 PolarHBondContact O-NH1 3.39Å; R308-R322 PolarHBondContact O-NH2 2.81Å; D313-R322 IonicContact OD2-NH2 3.49Å; D318-R322 WeakPolarHBondContact O-CG 3.27Å; D318-R322 PolarHBondContact O-N 3.43Å; T319-R322 PolarHBondContact O-N 3.49Å; T319-R322 PolarHBondContact OG1-NH2 3.23Å; A320-R322 PolarHBondContact O-N 3.33Å; R322-A325 PolarHBondContact O-N 2.8Å; R322-D326 VanDerWaalsContact O-CB 3.28Å; R322-D326 WeakPolarHBondContact O-CB 3.27Å; R322-D326 PolarHBondContact O-N 2.96Å
323	V	94.6	Very high	93.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.2	-48.1	179.6	171.6	0	0	0	0	111.2	V121 T319 A320 H327 R356 F360	V121-V323 WeakPolarHBondContact O-CG2 3.5Å; T319-V323 HydrophobicContact CG2-CG2 4.38Å; T319-V323 VanDerWaalsContact O-CG2 3.31Å; T319-V323 WeakPolarHBondContact O-CG2 3.2Å; T319-V323 PolarHBondContact O-N 3.46Å; A320-V323 PolarHBondContact O-N 2.98Å; V323-H327 VanDerWaalsContact O-CB 3.22Å; V323-H327 WeakPolarHBondContact O-CB 3.35Å; V323-H327 VanDerWaalsContact O-CG 3.23Å; V323-H327 PolarHBondContact O-N 3.23Å; V323-H327 PolarHBondContact O-ND1 2.77Å; V323-R356 HydrophobicContact CG1-CG 3.97Å; V323-F360 HydrophobicContact CB-CD2 4.19Å; V323-F360 HydrophobicContact CB-CG 4.21Å; V323-F360 HydrophobicContact CG1-CB 4.3Å; V323-F360 HydrophobicContact CG1-CD2 3.63Å; V323-F360 HydrophobicContact CG1-CE2 4.14Å; V323-F360 HydrophobicContact CG1-CG 4.04Å; V323-F360 HydrophobicContact CG2-CD2 4.33Å; V323-F360 HydrophobicContact CG2-CE2 4.23Å; V323-F360 HydrophobicContact CG2-CZ 4.33Å
324	V	96.4	Very high	93.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.3	-44.2	-177.9	172.6	0	0	0	0	111	I296 A320 I328 F360 L365 L372 L375	I296-V324 HydrophobicContact CD1-CB 4.07Å; I296-V324 HydrophobicContact CD1-CG1 3.77Å; I296-V324 HydrophobicContact CG1-CG1 4.08Å; A320-V324 WeakPolarHBondContact O-CB 3.48Å; A320-V324 VanDerWaalsContact O-CG2 3.25Å; A320-V324 WeakPolarHBondContact O-CG2 3.33Å; A320-V324 PolarHBondContact O-N 2.99Å; V324-I328 VanDerWaalsContact O-CG2 3.3Å; V324-I328 WeakPolarHBondContact O-CG2 3.5Å; V324-I328 PolarHBondContact O-N 3.39Å; V324-I328 VanDerWaalsContact O-N 3.11Å; V324-F360 HydrophobicContact CG2-CB 4.09Å; V324-L365 HydrophobicContact CG2-CD1 4.18Å; V324-L372 HydrophobicContact CG1-CD2 3.84Å; V324-L375 HydrophobicContact CG1-CD1 3.77Å
325	A	97	Very high	94.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.7	-42.6	180	0	0	0	0	0	112.8	F289 L292 L293 I296 Y321 R322 I328	F289-A325 HydrophobicContact CD1-CB 4.16Å; L292-A325 HydrophobicContact CB-CB 4.16Å; L293-A325 HydrophobicContact CD2-CB 3.97Å; I296-A325 HydrophobicContact CD1-CB 3.86Å; Y321-A325 VanDerWaalsContact O-CB 3.29Å; Y321-A325 WeakPolarHBondContact O-CB 3.46Å; Y321-A325 PolarHBondContact O-N 3.42Å; R322-A325 PolarHBondContact O-N 2.8Å; A325-I328 WeakPolarHBondContact O-CG2 3.36Å
326	D	96.9	Very high	94.7	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-64.9	-53.3	175.6	174.5	86.6	0	0	0	111.4	V121 H128 T129 Y284 R322 I328 R329 T330	V121-D326 HydrophobicContact CG1-CB 3.87Å; V121-D326 WeakPolarHBondContact CG1-OD2 3.35Å; H128-D326 WeakPolarHBondContact CA-OD1 3.46Å; H128-D326 VanDerWaalsContact CB-OD1 3.31Å; H128-D326 WeakPolarHBondContact CB-OD1 3.47Å; H128-D326 IonicContact CG-OD1 3.78Å; H128-D326 IonicContact ND1-OD1 3.27Å; H128-D326 PolarHBondContact ND1-OD1 3.25Å; T129-D326 WeakPolarHBondContact CB-OD2 3.21Å; T129-D326 PolarHBondContact N-OD1 3.19Å; T129-D326 PolarHBondContact N-OD2 2.88Å; T129-D326 PolarHBondContact OG1-OD2 2.82Å; Y284-D326 HydrophobicContact CE1-CB 4.4Å; R322-D326 VanDerWaalsContact O-CB 3.28Å; R322-D326 WeakPolarHBondContact O-CB 3.27Å; R322-D326 PolarHBondContact O-N 2.96Å; D326-I328 VanDerWaalsContact C-N 3.33Å; D326-I328 PolarHBondContact O-N 3.47Å; D326-R329 WeakPolarHBondContact O-CB 3.43Å; D326-R329 PolarHBondContact O-N 3.47Å; D326-R329 VanDerWaalsContact O-N 3.08Å; D326-T330 PolarHBondContact O-N 2.85Å; D326-T330 VanDerWaalsContact O-N 3.1Å; D326-T330 PolarHBondContact O-OG1 2.78Å
327	H	96.2	Very high	94.7	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-67.4	-32.2	-172	-72.4	13.2	0	0	0	112.8	V323 R329 T330 L331 I353 R356 A357	V323-H327 VanDerWaalsContact O-CB 3.22Å; V323-H327 WeakPolarHBondContact O-CB 3.35Å; V323-H327 VanDerWaalsContact O-CG 3.23Å; V323-H327 PolarHBondContact O-N 3.23Å; V323-H327 PolarHBondContact O-ND1 2.77Å; H327-R329 VanDerWaalsContact C-N 3.34Å; H327-T330 PolarHBondContact O-N 3.05Å; H327-L331 WeakPolarHBondContact O-CB 3.38Å; H327-L331 WeakPolarHBondContact O-CD1 3.49Å; H327-L331 WeakPolarHBondContact O-CG 3.42Å; H327-L331 PolarHBondContact O-N 3.26Å; H327-I353 HydrophobicContact CB-CG2 3.62Å; H327-I353 PolarHBondContact CD2-O 3.23Å; H327-I353 VanDerWaalsContact CD2-O 3.29Å; H327-R356 WeakPolarHBondContact NE2-CD 3.45Å; H327-A357 HydrophobicContact CB-CB 3.8Å
328	I	97.3	Very high	94.1	Very high	0 Å²	0	4 Å²	4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-68.7	-32.6	174.4	-166.4	63.4	0	0	0	112.5	L292 V324 A325 D326 L331 S332 L372 L375 V376 V379 V401	L292-I328 HydrophobicContact CD2-CG2 4.09Å; V324-I328 VanDerWaalsContact O-CG2 3.3Å; V324-I328 WeakPolarHBondContact O-CG2 3.5Å; V324-I328 PolarHBondContact O-N 3.39Å; V324-I328 VanDerWaalsContact O-N 3.11Å; A325-I328 WeakPolarHBondContact O-CG2 3.36Å; D326-I328 VanDerWaalsContact C-N 3.33Å; D326-I328 PolarHBondContact O-N 3.47Å; I328-L331 HydrophobicContact CD1-CD1 4.42Å; I328-S332 WeakPolarHBondContact O-CB 3.46Å; I328-S332 PolarHBondContact O-N 3.29Å; I328-S332 PolarHBondContact O-OG 3.35Å; I328-L372 WeakPolarHBondContact CD1-O 3.35Å; I328-L375 HydrophobicContact CG1-CB 3.92Å; I328-L375 HydrophobicContact CG2-CB 4.33Å; I328-L375 HydrophobicContact CG2-CD1 4.33Å; I328-V376 HydrophobicContact CD1-CG2 3.99Å; I328-V376 HydrophobicContact CG1-CG2 4.45Å; I328-V379 HydrophobicContact CG1-CG2 4.18Å; I328-V379 HydrophobicContact CG2-CG2 3.95Å; I328-V401 HydrophobicContact CD1-CG1 4.23Å
329	R	97.1	Very high	93.6	Very high	2 Å²	2	4.2 Å²	4.2	1%	0.008	3%	0.029	C	C	.	.	H	α-helix	trans	-61.9	-50	170.8	-72.5	177.4	59.3	-176.3	-7.2	110	F130 E271 L292 D326 H327 L331 S332 V333 V379 L383	F130-R329 HydrophobicContact CD1-CB 4.03Å; E271-R329 IonicContact OE1-CZ 3.28Å; E271-R329 IonicContact OE1-NH1 2.77Å; E271-R329 IonicContact OE1-NH2 2.82Å; E271-R329 PolarHBondContact OE1-NH2 2.87Å; L292-R329 HydrophobicContact CD1-CG 3.72Å; D326-R329 WeakPolarHBondContact O-CB 3.43Å; D326-R329 PolarHBondContact O-N 3.47Å; D326-R329 VanDerWaalsContact O-N 3.08Å; H327-R329 VanDerWaalsContact C-N 3.34Å; R329-L331 PolarHBondContact O-N 2.94Å; R329-S332 PolarHBondContact O-N 3.14Å; R329-V333 WeakPolarHBondContact O-CG2 3.24Å; R329-V333 PolarHBondContact O-N 3.19Å; R329-V379 HydrophobicContact CG-CG1 4.25Å; R329-V379 HydrophobicContact CG-CG2 4.27Å; R329-L383 HydrophobicContact CG-CD1 4.44Å
330	T	97	Very high	93.1	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-60.7	-44.9	179.3	-51.2	0	0	0	0	112.5	V109 T129 F130 D326 H327 S332 V333 C334 I353	V109-T330 HydrophobicContact CG1-CG2 4.21Å; V109-T330 HydrophobicContact CG2-CG2 4.38Å; T129-T330 WeakPolarHBondContact OG1-CB 3.25Å; T129-T330 PolarHBondContact OG1-OG1 3.47Å; F130-T330 HydrophobicContact CB-CG2 4.14Å; F130-T330 WeakPolarHBondContact CB-OG1 3.46Å; F130-T330 PolarHBondContact N-OG1 3.4Å; D326-T330 PolarHBondContact O-N 2.85Å; D326-T330 VanDerWaalsContact O-N 3.1Å; D326-T330 PolarHBondContact O-OG1 2.78Å; H327-T330 PolarHBondContact O-N 3.05Å; T330-S332 PolarHBondContact O-N 3.17Å; T330-V333 PolarHBondContact O-N 2.98Å; T330-C334 VanDerWaalsContact O-CB 3.3Å; T330-C334 WeakPolarHBondContact O-CB 3.16Å; T330-C334 PolarHBondContact O-N 2.88Å; T330-C334 PolarHBondContact O-SG 3.22Å; T330-I353 HydrophobicContact CG2-CD1 3.88Å
331	L	95.9	Very high	92.6	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-60.1	-46.7	176.2	-71.6	163.2	0	0	0	111.4	H327 I328 R329 V333 I335 L350 I353 L354	H327-L331 WeakPolarHBondContact O-CB 3.38Å; H327-L331 WeakPolarHBondContact O-CD1 3.49Å; H327-L331 WeakPolarHBondContact O-CG 3.42Å; H327-L331 PolarHBondContact O-N 3.26Å; I328-L331 HydrophobicContact CD1-CD1 4.42Å; R329-L331 PolarHBondContact O-N 2.94Å; L331-V333 PolarHBondContact O-N 2.87Å; L331-I335 VanDerWaalsContact O-CB 3.3Å; L331-I335 WeakPolarHBondContact O-CB 3.48Å; L331-I335 WeakPolarHBondContact O-CD1 3.3Å; L331-I335 WeakPolarHBondContact O-CG1 3.41Å; L331-I335 PolarHBondContact O-N 2.93Å; L331-L350 HydrophobicContact CD2-CD1 3.65Å; L331-L350 HydrophobicContact CD2-CG 3.81Å; L331-L350 HydrophobicContact CG-CD1 4.47Å; L331-I353 HydrophobicContact CD2-CG2 4.37Å; L331-I353 HydrophobicContact CG-CG2 4.14Å; L331-L354 HydrophobicContact CD1-CB 4.15Å; L331-L354 HydrophobicContact CD1-CG 4.36Å; L331-L354 HydrophobicContact CD2-CB 3.75Å; L331-L354 HydrophobicContact CD2-CD1 4.25Å; L331-L354 HydrophobicContact CD2-CG 4.44Å
332	S	96.4	Very high	91.4	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-63.3	-45.2	-178.2	-56.7	0	0	0	0	111.5	I328 R329 T330 S336 L390	I328-S332 WeakPolarHBondContact O-CB 3.46Å; I328-S332 PolarHBondContact O-N 3.29Å; I328-S332 PolarHBondContact O-OG 3.35Å; R329-S332 PolarHBondContact O-N 3.14Å; T330-S332 PolarHBondContact O-N 3.17Å; S332-S336 VanDerWaalsContact O-CB 3.31Å; S332-S336 WeakPolarHBondContact O-CB 3.28Å; S332-S336 PolarHBondContact O-N 3.2Å; S332-S336 PolarHBondContact O-OG 3.37Å; S332-L390 WeakPolarHBondContact O-CD2 3.43Å
333	V	95.6	Very high	89.7	Confident	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64.3	-51.6	178.1	171.3	0	0	0	0	111.4	V64 K107 F130 R329 T330 L331 I335 S336 D337 L383 L390	V64-V333 HydrophobicContact CG1-CG1 3.72Å; K107-V333 HydrophobicContact CD-CG1 3.77Å; K107-V333 HydrophobicContact CG-CG1 4.41Å; F130-V333 HydrophobicContact CD1-CG2 4.29Å; F130-V333 HydrophobicContact CD2-CB 4.34Å; F130-V333 HydrophobicContact CD2-CG1 4.11Å; F130-V333 HydrophobicContact CD2-CG2 4.28Å; F130-V333 HydrophobicContact CE1-CG2 3.9Å; F130-V333 HydrophobicContact CE2-CB 4.27Å; F130-V333 HydrophobicContact CE2-CG1 3.83Å; F130-V333 HydrophobicContact CE2-CG2 3.92Å; F130-V333 HydrophobicContact CG-CG2 4.46Å; F130-V333 HydrophobicContact CZ-CG1 4.42Å; F130-V333 HydrophobicContact CZ-CG2 3.72Å; R329-V333 WeakPolarHBondContact O-CG2 3.24Å; R329-V333 PolarHBondContact O-N 3.19Å; T330-V333 PolarHBondContact O-N 2.98Å; L331-V333 PolarHBondContact O-N 2.87Å; V333-I335 PolarHBondContact O-N 2.81Å; V333-S336 PolarHBondContact O-N 3.17Å; V333-S336 PolarHBondContact O-OG 2.92Å; V333-D337 PolarHBondContact O-N 3.21Å; V333-L383 HydrophobicContact CG2-CD1 4.21Å; V333-L390 HydrophobicContact CG2-CD1 4.3Å; V333-L390 HydrophobicContact CG2-CD2 4.46Å
334	C	93.2	Very high	88.1	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.4	-43.1	-180	-72.2	0	0	0	0	112.6	V64 T330 D337 G338 V339 L350	V64-C334 HydrophobicContact CG2-CB 4.43Å; T330-C334 VanDerWaalsContact O-CB 3.3Å; T330-C334 WeakPolarHBondContact O-CB 3.16Å; T330-C334 PolarHBondContact O-N 2.88Å; T330-C334 PolarHBondContact O-SG 3.22Å; C334-D337 CarbonylContact O-C 3.6Å; C334-D337 PolarHBondContact O-N 3.4Å; C334-G338 PolarHBondContact O-N 3.06Å; C334-V339 CarbonylContact C-O 3.5Å; C334-V339 HydrophobicContact CB-CB 4.24Å; C334-V339 WeakPolarHBondContact O-CA 3.39Å; C334-V339 WeakPolarHBondContact O-CB 3.46Å; C334-V339 PolarHBondContact O-N 2.9Å; C334-L350 HydrophobicContact CB-CD1 3.6Å; C334-L350 HydrophobicContact CB-CD2 3.8Å; C334-L350 HydrophobicContact CB-CG 4.37Å
335	I	90.1	Very high	87	Confident	6 Å²	6	15 Å²	15	3%	0.031	10%	0.101	C	C	.	.	H	α-helix	trans	-67.4	-38.4	178.5	-65.9	168	0	0	0	110.6	L331 V333 D337 G338 V339 F340 L350 I397 L400 V401	L331-I335 VanDerWaalsContact O-CB 3.3Å; L331-I335 WeakPolarHBondContact O-CB 3.48Å; L331-I335 WeakPolarHBondContact O-CD1 3.3Å; L331-I335 WeakPolarHBondContact O-CG1 3.41Å; L331-I335 PolarHBondContact O-N 2.93Å; V333-I335 PolarHBondContact O-N 2.81Å; I335-D337 PolarHBondContact O-N 3.09Å; I335-G338 PolarHBondContact O-N 2.88Å; I335-G338 VanDerWaalsContact O-N 3.11Å; I335-V339 WeakPolarHBondContact CA-O 3.33Å; I335-V339 PolarHBondContact N-O 2.9Å; I335-F340 HydrophobicContact CG2-CD1 4.12Å; I335-F340 HydrophobicContact CG2-CE1 3.94Å; I335-L350 HydrophobicContact CG1-CD2 4.23Å; I335-I397 HydrophobicContact CB-CG1 4.28Å; I335-I397 HydrophobicContact CB-CG2 4.41Å; I335-I397 HydrophobicContact CD1-CG2 4.47Å; I335-I397 HydrophobicContact CG2-CB 4.3Å; I335-I397 HydrophobicContact CG2-CG1 3.81Å; I335-I397 HydrophobicContact CG2-CG2 4.4Å; I335-L400 HydrophobicContact CG2-CD1 3.66Å; I335-V401 HydrophobicContact CD1-CG2 3.72Å
336	S	89.7	Confident	86.1	Confident	12 Å²	12	16.8 Å²	16.8	8%	0.084	11%	0.112	C	C	.	.	H	α-helix	trans	-62.8	-31.4	175.7	73.4	0	0	0	0	113.1	S332 V333 G338 L390	S332-S336 VanDerWaalsContact O-CB 3.31Å; S332-S336 WeakPolarHBondContact O-CB 3.28Å; S332-S336 PolarHBondContact O-N 3.2Å; S332-S336 PolarHBondContact O-OG 3.37Å; V333-S336 PolarHBondContact O-N 3.17Å; V333-S336 PolarHBondContact O-OG 2.92Å; S336-G338 VanDerWaalsContact C-N 3.3Å; S336-L390 WeakPolarHBondContact OG-CD2 3.36Å
337	D	87.9	Confident	85.3	Confident	25 Å²	25	18 Å²	18	13%	0.134	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	10.9	177.3	-79	-7.7	0	0	0	113.1	S63 V64 K107 V333 C334 I335	S63-D337 WeakPolarHBondContact CA-OD2 3.37Å; S63-D337 WeakPolarHBondContact OG-CB 3.46Å; V64-D337 HydrophobicContact CG2-CB 3.84Å; V64-D337 WeakPolarHBondContact CG2-OD2 3.21Å; V64-D337 PolarHBondContact N-OD2 2.86Å; K107-D337 WeakPolarHBondContact CE-OD2 3.43Å; K107-D337 IonicContact NZ-OD1 3.7Å; K107-D337 PolarHBondContact NZ-OD1 2.74Å; K107-D337 IonicContact NZ-OD2 3.73Å; K107-D337 PolarHBondContact NZ-OD2 3.21Å; V333-D337 PolarHBondContact O-N 3.21Å; C334-D337 CarbonylContact O-C 3.6Å; C334-D337 PolarHBondContact O-N 3.4Å; I335-D337 PolarHBondContact O-N 3.09Å
338	G	80.2	Confident	84.4	Confident	21 Å²	21	20.4 Å²	20.4	22%	0.216	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	13.8	173.3	0	0	0	0	0	115.5	C334 I335 S336 F340	C334-G338 PolarHBondContact O-N 3.06Å; I335-G338 PolarHBondContact O-N 2.88Å; I335-G338 VanDerWaalsContact O-N 3.11Å; S336-G338 VanDerWaalsContact C-N 3.3Å; G338-F340 WeakPolarHBondContact O-CD2 3.31Å; G338-F340 VanDerWaalsContact O-CE2 3.26Å; G338-F340 WeakPolarHBondContact O-CE2 3.38Å
339	V	83.8	Confident	83.7	Confident	10 Å²	10	21.1 Å²	21.1	6%	0.061	14%	0.138	C	C	.	.			trans	-97.4	118.4	172.6	-173.4	0	0	0	0	109.7	R65 F74 C334 I335 P346 L350	R65-V339 HydrophobicContact CB-CG2 4.07Å; F74-V339 HydrophobicContact CE1-CG1 4.06Å; F74-V339 HydrophobicContact CZ-CG1 4.47Å; C334-V339 CarbonylContact C-O 3.5Å; C334-V339 HydrophobicContact CB-CB 4.24Å; C334-V339 WeakPolarHBondContact O-CA 3.39Å; C334-V339 WeakPolarHBondContact O-CB 3.46Å; C334-V339 PolarHBondContact O-N 2.9Å; I335-V339 WeakPolarHBondContact CA-O 3.33Å; I335-V339 PolarHBondContact N-O 2.9Å; V339-P346 HydrophobicContact CG1-CB 4.19Å; V339-L350 HydrophobicContact CG1-CD2 4.21Å; V339-L350 WeakPolarHBondContact O-CD2 3.5Å
340	F	82.9	Confident	83.2	Confident	9 Å²	9	21 Å²	21	4%	0.039	14%	0.137	C	C	.	.			trans	-112	151.4	-176.6	-53	-75.7	0	0	0	111.9	I335 G338 G342 P347 L400 T667 K773	I335-F340 HydrophobicContact CG2-CD1 4.12Å; I335-F340 HydrophobicContact CG2-CE1 3.94Å; G338-F340 WeakPolarHBondContact O-CD2 3.31Å; G338-F340 VanDerWaalsContact O-CE2 3.26Å; G338-F340 WeakPolarHBondContact O-CE2 3.38Å; F340-G342 PolarHBondContact O-N 3.49Å; F340-P347 VanDerWaalsContact O-CA 3.23Å; F340-P347 WeakPolarHBondContact O-CA 3.44Å; F340-P347 WeakPolarHBondContact O-CB 3.22Å; F340-L400 HydrophobicContact CD1-CD1 3.75Å; F340-L400 HydrophobicContact CE1-CD1 3.58Å; F340-T667 HydrophobicContact CE2-CG2 4.2Å; F340-T667 HydrophobicContact CZ-CG2 4.16Å; F340-K773 VanDerWaalsContact CB-O 3.28Å; F340-K773 WeakPolarHBondContact CB-O 3.39Å
341	P	82.3	Confident	82.5	Confident	7 Å²	7	23 Å²	23	5%	0.045	15%	0.145	C	C	.	.			trans	-55.2	134.3	172.3	-27.7	37.4	0	0	0	112.7	L350 R351 L354 D404	P341-L350 HydrophobicContact CG-CD2 4.14Å; P341-L350 HydrophobicContact CG-CG 4.22Å; P341-R351 HydrophobicContact CB-CB 4.04Å; P341-R351 HydrophobicContact CB-CG 4.45Å; P341-L354 HydrophobicContact CG-CD1 4.18Å; P341-D404 WeakPolarHBondContact CB-OD2 3.39Å; P341-D404 WeakPolarHBondContact CG-OD2 3.27Å
342	G	71.6	Confident	81.8	Confident	6 Å²	6	29.7 Å²	29.7	6%	0.062	17%	0.17	C	C	.	.			trans	-162.4	-162.5	-174.7	0	0	0	0	0	114.8	F340 P347 L348 R351	F340-G342 PolarHBondContact O-N 3.49Å; G342-P347 PolarHBondContact N-O 2.98Å; G342-L348 WeakPolarHBondContact O-CA 3.48Å; G342-R351 WeakPolarHBondContact O-CD 3.43Å
343	M	61.7	Low	81.5	Confident	96 Å²	96	29.7 Å²	29.7	47%	0.473	17%	0.17	S	C	.	.	S	Bend	trans	-99.6	-17.2	-166.9	-62.1	-59.6	-62	0	0	115	R351	M343-R351 PolarHBondContact SD-NH1 2.81Å
344	S	61.5	Low	81.2	Confident	83 Å²	83	29.9 Å²	29.9	58%	0.58	17%	0.171	S	C	*	.	S	Bend	trans	-151.5	157.2	-174.5	58.3	0	0	0	0	111.7	P347	S344-P347 VanDerWaalsContact O-CD 3.3Å; S344-P347 WeakPolarHBondContact O-CD 3.31Å
345	G	72.1	Confident	80.9	Confident	37 Å²	37	30.5 Å²	30.5	38%	0.381	17%	0.173	S	C	.	.	S	Bend	trans	63.3	-147.8	177.3	0	0	0	0	0	113.4	P347 L348 V349	G345-P347 VanDerWaalsContact C-N 3.35Å; G345-L348 WeakPolarHBondContact O-CB 3.29Å; G345-L348 PolarHBondContact O-N 3.49Å; G345-V349 PolarHBondContact O-N 2.88Å
346	P	79.4	Confident	80.7	Confident	37 Å²	37	31.6 Å²	31.6	24%	0.24	18%	0.177	C	C	.	.	H	α-helix	trans	-55	-40.7	177.2	-20.1	30.2	0	0	0	113.9	L73 F74 V339 L348 V349 L350	L73-P346 HydrophobicContact CB-CG 4.18Å; L73-P346 HydrophobicContact CD2-CG 3.97Å; L73-P346 WeakPolarHBondContact O-CG 3.42Å; F74-P346 HydrophobicContact CE1-CB 3.96Å; F74-P346 HydrophobicContact CE2-CB 4.03Å; F74-P346 HydrophobicContact CZ-CB 3.63Å; V339-P346 HydrophobicContact CG1-CB 4.19Å; P346-L348 VanDerWaalsContact C-N 3.26Å; P346-L348 PolarHBondContact O-N 2.9Å; P346-V349 WeakPolarHBondContact O-CB 3.5Å; P346-V349 PolarHBondContact O-N 3.26Å; P346-V349 VanDerWaalsContact O-N 3.11Å; P346-L350 PolarHBondContact O-N 2.9Å
347	P	79.7	Confident	80.8	Confident	27 Å²	27	31 Å²	31	18%	0.175	17%	0.173	C	C	.	.	H	α-helix	trans	-52.7	-36.1	171.6	-33.9	39.1	0	0	0	115.5	F340 G342 S344 G345 L350 R351	F340-P347 VanDerWaalsContact O-CA 3.23Å; F340-P347 WeakPolarHBondContact O-CA 3.44Å; F340-P347 WeakPolarHBondContact O-CB 3.22Å; G342-P347 PolarHBondContact N-O 2.98Å; S344-P347 VanDerWaalsContact O-CD 3.3Å; S344-P347 WeakPolarHBondContact O-CD 3.31Å; G345-P347 VanDerWaalsContact C-N 3.35Å; P347-L350 PolarHBondContact O-N 2.85Å; P347-R351 WeakPolarHBondContact O-CB 3.33Å; P347-R351 PolarHBondContact O-N 3.02Å
348	L	76.6	Confident	80.9	Confident	50 Å²	50	29.9 Å²	29.9	26%	0.262	17%	0.167	S	C	.	.	H	α-helix	trans	-68.7	-40.7	178.5	179.4	62	0	0	0	111.6	G342 G345 P346 L350 R351 R352	G342-L348 WeakPolarHBondContact O-CA 3.48Å; G345-L348 WeakPolarHBondContact O-CB 3.29Å; G345-L348 PolarHBondContact O-N 3.49Å; P346-L348 VanDerWaalsContact C-N 3.26Å; P346-L348 PolarHBondContact O-N 2.9Å; L348-L350 VanDerWaalsContact C-N 3.35Å; L348-R351 WeakPolarHBondContact O-CB 3.46Å; L348-R351 PolarHBondContact O-N 2.93Å; L348-R352 WeakPolarHBondContact O-CG 3.5Å; L348-R352 PolarHBondContact O-N 2.89Å
349	V	83.1	Confident	81.1	Confident	16 Å²	16	30.2 Å²	30.2	10%	0.097	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-47.9	175.5	179.2	0	0	0	0	109.8	L73 F74 A111 G345 P346 R351 R352 I353	L73-V349 HydrophobicContact CD1-CG2 4.14Å; F74-V349 HydrophobicContact CE2-CB 3.88Å; F74-V349 HydrophobicContact CE2-CG1 3.91Å; F74-V349 HydrophobicContact CE2-CG2 4.3Å; F74-V349 HydrophobicContact CZ-CB 4.34Å; A111-V349 HydrophobicContact CB-CG1 3.59Å; A111-V349 WeakPolarHBondContact O-CG1 3.08Å; G345-V349 PolarHBondContact O-N 2.88Å; P346-V349 WeakPolarHBondContact O-CB 3.5Å; P346-V349 PolarHBondContact O-N 3.26Å; P346-V349 VanDerWaalsContact O-N 3.11Å; V349-R351 VanDerWaalsContact C-N 3.27Å; V349-R351 PolarHBondContact O-N 2.83Å; V349-R352 WeakPolarHBondContact O-CA 3.42Å; V349-R352 WeakPolarHBondContact O-CB 3.47Å; V349-R352 PolarHBondContact O-N 2.86Å; V349-I353 HydrophobicContact CG1-CD1 4.16Å; V349-I353 PolarHBondContact O-N 2.93Å
350	L	86.1	Confident	81.3	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.8	-37.6	179.6	-164.2	65.8	0	0	0	112.1	L331 C334 I335 V339 P341 P346 P347 L348 R352 I353 L354	L331-L350 HydrophobicContact CD2-CD1 3.65Å; L331-L350 HydrophobicContact CD2-CG 3.81Å; L331-L350 HydrophobicContact CG-CD1 4.47Å; C334-L350 HydrophobicContact CB-CD1 3.6Å; C334-L350 HydrophobicContact CB-CD2 3.8Å; C334-L350 HydrophobicContact CB-CG 4.37Å; I335-L350 HydrophobicContact CG1-CD2 4.23Å; V339-L350 HydrophobicContact CG1-CD2 4.21Å; V339-L350 WeakPolarHBondContact O-CD2 3.5Å; P341-L350 HydrophobicContact CG-CD2 4.14Å; P341-L350 HydrophobicContact CG-CG 4.22Å; P346-L350 PolarHBondContact O-N 2.9Å; P347-L350 PolarHBondContact O-N 2.85Å; L348-L350 VanDerWaalsContact C-N 3.35Å; L350-R352 VanDerWaalsContact C-N 3.32Å; L350-R352 PolarHBondContact O-N 3.46Å; L350-I353 PolarHBondContact O-N 3.02Å; L350-L354 PolarHBondContact O-N 2.97Å
351	R	82.3	Confident	81.7	Confident	42 Å²	42	29.6 Å²	29.6	16%	0.158	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-37.7	172.1	-169.7	178.3	-170.4	-152.2	11.2	112.2	P341 G342 M343 P347 L348 V349 R355	P341-R351 HydrophobicContact CB-CB 4.04Å; P341-R351 HydrophobicContact CB-CG 4.45Å; G342-R351 WeakPolarHBondContact O-CD 3.43Å; M343-R351 PolarHBondContact SD-NH1 2.81Å; P347-R351 WeakPolarHBondContact O-CB 3.33Å; P347-R351 PolarHBondContact O-N 3.02Å; L348-R351 WeakPolarHBondContact O-CB 3.46Å; L348-R351 PolarHBondContact O-N 2.93Å; V349-R351 VanDerWaalsContact C-N 3.27Å; V349-R351 PolarHBondContact O-N 2.83Å; R351-R355 WeakPolarHBondContact O-CB 3.19Å; R351-R355 WeakPolarHBondContact O-CD 3.4Å; R351-R355 WeakPolarHBondContact O-CG 3.35Å; R351-R355 PolarHBondContact O-N 3.04Å; R351-R355 VanDerWaalsContact O-N 3.13Å
352	R	82.4	Confident	81.9	Confident	139 Å²	139	31.8 Å²	31.8	53%	0.525	17%	0.168	S	C	.	.	H	α-helix	trans	-66.8	-44.8	175.5	-69.8	174.4	179.9	-174.7	-1.5	111.5	L348 V349 L350 R355 R356	L348-R352 WeakPolarHBondContact O-CG 3.5Å; L348-R352 PolarHBondContact O-N 2.89Å; V349-R352 WeakPolarHBondContact O-CA 3.42Å; V349-R352 WeakPolarHBondContact O-CB 3.47Å; V349-R352 PolarHBondContact O-N 2.86Å; L350-R352 VanDerWaalsContact C-N 3.32Å; L350-R352 PolarHBondContact O-N 3.46Å; R352-R355 PolarHBondContact O-N 2.91Å; R352-R356 WeakPolarHBondContact O-CB 3.4Å; R352-R356 PolarHBondContact O-N 3.37Å
353	I	89.3	Confident	82.5	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.5	-49.7	175.4	-67.5	174.1	0	0	0	110.6	A111 L118 H327 T330 L331 V349 L350 R355 R356 A357	A111-I353 HydrophobicContact CB-CD1 3.81Å; L118-I353 HydrophobicContact CD1-CG1 3.87Å; H327-I353 HydrophobicContact CB-CG2 3.62Å; H327-I353 PolarHBondContact CD2-O 3.23Å; H327-I353 VanDerWaalsContact CD2-O 3.29Å; T330-I353 HydrophobicContact CG2-CD1 3.88Å; L331-I353 HydrophobicContact CD2-CG2 4.37Å; L331-I353 HydrophobicContact CG-CG2 4.14Å; V349-I353 HydrophobicContact CG1-CD1 4.16Å; V349-I353 PolarHBondContact O-N 2.93Å; L350-I353 PolarHBondContact O-N 3.02Å; I353-R355 PolarHBondContact O-N 3.13Å; I353-R356 PolarHBondContact O-N 3.49Å; I353-A357 PolarHBondContact O-N 2.89Å
354	L	90.1	Very high	83.7	Confident	4 Å²	4	30.6 Å²	30.6	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-56	-49.9	177.4	-175	144.7	0	0	0	111.8	L331 P341 L350 R356 A357 V358 D404	L331-L354 HydrophobicContact CD1-CB 4.15Å; L331-L354 HydrophobicContact CD1-CG 4.36Å; L331-L354 HydrophobicContact CD2-CB 3.75Å; L331-L354 HydrophobicContact CD2-CD1 4.25Å; L331-L354 HydrophobicContact CD2-CG 4.44Å; P341-L354 HydrophobicContact CG-CD1 4.18Å; L350-L354 PolarHBondContact O-N 2.97Å; L354-R356 VanDerWaalsContact C-N 3.35Å; L354-R356 PolarHBondContact O-N 2.93Å; L354-A357 WeakPolarHBondContact O-CB 3.03Å; L354-A357 PolarHBondContact O-N 3.43Å; L354-V358 HydrophobicContact CD2-CG2 3.95Å; L354-V358 WeakPolarHBondContact O-CG2 3.21Å; L354-V358 PolarHBondContact O-N 2.94Å; L354-D404 HydrophobicContact CD1-CB 3.54Å; L354-D404 HydrophobicContact CD2-CB 4.16Å
355	R	85.8	Confident	85.2	Confident	13 Å²	13	27 Å²	27	5%	0.049	14%	0.135	C	C	.	.	H	α-helix	trans	-65.3	-39.3	-176.9	-71.2	172.3	165.2	-178.1	-26.2	112.5	R351 R352 I353 V358 R359 F408 L446 G447 P449	R351-R355 WeakPolarHBondContact O-CB 3.19Å; R351-R355 WeakPolarHBondContact O-CD 3.4Å; R351-R355 WeakPolarHBondContact O-CG 3.35Å; R351-R355 PolarHBondContact O-N 3.04Å; R351-R355 VanDerWaalsContact O-N 3.13Å; R352-R355 PolarHBondContact O-N 2.91Å; I353-R355 PolarHBondContact O-N 3.13Å; R355-V358 PolarHBondContact O-N 2.84Å; R355-R359 WeakPolarHBondContact O-CB 3.37Å; R355-R359 PolarHBondContact O-N 2.84Å; R355-F408 HydrophobicContact CB-CD1 4.23Å; R355-F408 HydrophobicContact CB-CD2 4.38Å; R355-F408 HydrophobicContact CB-CE1 3.81Å; R355-F408 HydrophobicContact CB-CE2 3.96Å; R355-F408 HydrophobicContact CB-CG 4.48Å; R355-F408 HydrophobicContact CB-CZ 3.64Å; R355-F408 HydrophobicContact CG-CB 4.44Å; R355-F408 HydrophobicContact CG-CD1 3.9Å; R355-F408 HydrophobicContact CG-CD2 3.55Å; R355-F408 HydrophobicContact CG-CE1 3.93Å; R355-F408 HydrophobicContact CG-CE2 3.56Å; R355-F408 HydrophobicContact CG-CG 3.7Å; R355-F408 HydrophobicContact CG-CZ 3.74Å; R355-L446 PolarHBondContact NH2-O 2.99Å; R355-G447 PolarHBondContact NH1-O 3.46Å; R355-G447 PolarHBondContact NH2-O 2.8Å; R355-G447 VanDerWaalsContact NH2-O 3.13Å; R355-P449 HydrophobicContact CB-CG 4.36Å
356	R	86.1	Confident	86.1	Confident	29 Å²	29	32.7 Å²	32.7	11%	0.109	15%	0.149	C	C	.	.	H	α-helix	trans	-61.2	-45.5	173.2	-179.9	168	169.4	173.2	-13.2	110.7	L118 E119 V121 V323 H327 R352 I353 L354 V358 R359 F360	L118-R356 PolarHBondContact O-NH1 3.31Å; L118-R356 PolarHBondContact O-NH2 2.85Å; E119-R356 IonicContact OE1-NH1 3.58Å; E119-R356 PolarHBondContact OE1-NH1 3.03Å; E119-R356 IonicContact OE2-NH1 3.94Å; V121-R356 PolarHBondContact O-NH2 2.73Å; V323-R356 HydrophobicContact CG1-CG 3.97Å; H327-R356 WeakPolarHBondContact NE2-CD 3.45Å; R352-R356 WeakPolarHBondContact O-CB 3.4Å; R352-R356 PolarHBondContact O-N 3.37Å; I353-R356 PolarHBondContact O-N 3.49Å; L354-R356 VanDerWaalsContact C-N 3.35Å; L354-R356 PolarHBondContact O-N 2.93Å; R356-V358 PolarHBondContact O-N 3.44Å; R356-R359 PolarHBondContact O-N 2.86Å; R356-F360 HydrophobicContact CG-CD2 3.89Å; R356-F360 HydrophobicContact CG-CE2 3.9Å; R356-F360 WeakPolarHBondContact O-CD2 3.25Å; R356-F360 PolarHBondContact O-N 2.79Å; R356-F360 VanDerWaalsContact O-N 3.08Å
357	A	91.6	Very high	86.6	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.4	-46.7	175.8	0	0	0	0	0	112.1	H327 I353 L354 R359 F360 S361 L372	H327-A357 HydrophobicContact CB-CB 3.8Å; I353-A357 PolarHBondContact O-N 2.89Å; L354-A357 WeakPolarHBondContact O-CB 3.03Å; L354-A357 PolarHBondContact O-N 3.43Å; A357-R359 VanDerWaalsContact C-N 3.3Å; A357-R359 PolarHBondContact O-N 2.99Å; A357-F360 PolarHBondContact O-N 2.88Å; A357-S361 WeakPolarHBondContact O-CB 3.5Å; A357-S361 PolarHBondContact O-N 3.41Å; A357-S361 PolarHBondContact O-OG 2.84Å; A357-L372 HydrophobicContact CB-CD1 3.83Å; A357-L372 HydrophobicContact CB-CD2 4Å
358	V	89.9	Confident	87.1	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-41.5	179.2	175.2	0	0	0	0	111.1	L354 R355 R356 S361 M362 L372 E405 F408 L409	L354-V358 HydrophobicContact CD2-CG2 3.95Å; L354-V358 WeakPolarHBondContact O-CG2 3.21Å; L354-V358 PolarHBondContact O-N 2.94Å; R355-V358 PolarHBondContact O-N 2.84Å; R356-V358 PolarHBondContact O-N 3.44Å; V358-S361 WeakPolarHBondContact CA-OG 3.4Å; V358-S361 PolarHBondContact O-OG 3.19Å; V358-M362 HydrophobicContact CG1-CG 4.46Å; V358-M362 HydrophobicContact CG1-SD 4.03Å; V358-M362 WeakPolarHBondContact O-CB 3.31Å; V358-M362 PolarHBondContact O-N 2.68Å; V358-L372 HydrophobicContact CB-CD1 4.16Å; V358-L372 HydrophobicContact CG2-CD1 3.29Å; V358-L372 HydrophobicContact CG2-CG 4.44Å; V358-E405 HydrophobicContact CG1-CG 4.31Å; V358-E405 HydrophobicContact CG2-CB 4.11Å; V358-E405 HydrophobicContact CG2-CG 3.88Å; V358-F408 HydrophobicContact CB-CD1 3.84Å; V358-F408 HydrophobicContact CB-CE1 4.03Å; V358-F408 HydrophobicContact CG1-CD1 3.75Å; V358-F408 HydrophobicContact CG1-CE1 4.06Å; V358-F408 HydrophobicContact CG2-CD1 4.2Å; V358-L409 HydrophobicContact CG1-CD2 3.74Å; V358-L409 HydrophobicContact CG1-CG 4.31Å
359	R	84.4	Confident	87.6	Confident	29 Å²	29	35.6 Å²	35.6	11%	0.109	17%	0.172	C	C	.	.	H	α-helix	trans	-61.8	-54.1	178.9	-178.7	-173.3	166.2	-164.2	-4.6	111.1	R355 R356 A357 S361 M362 E363 D451 L455	R355-R359 WeakPolarHBondContact O-CB 3.37Å; R355-R359 PolarHBondContact O-N 2.84Å; R356-R359 PolarHBondContact O-N 2.86Å; A357-R359 VanDerWaalsContact C-N 3.3Å; A357-R359 PolarHBondContact O-N 2.99Å; R359-S361 VanDerWaalsContact C-N 3.31Å; R359-S361 PolarHBondContact O-N 3.28Å; R359-M362 PolarHBondContact O-N 3.39Å; R359-E363 HydrophobicContact CG-CG 4.34Å; R359-E363 WeakPolarHBondContact CG-OE2 3.31Å; R359-E363 IonicContact NE-OE2 3.54Å; R359-E363 PolarHBondContact NE-OE2 2.81Å; R359-E363 WeakPolarHBondContact O-CB 3.35Å; R359-E363 PolarHBondContact O-N 2.76Å; R359-D451 IonicContact NH1-OD2 3.81Å; R359-D451 PolarHBondContact NH1-OD2 3.36Å; R359-L455 VanDerWaalsContact NH2-CG 3.33Å
360	F	88.7	Confident	87.8	Confident	6 Å²	6	36.1 Å²	36.1	3%	0.026	18%	0.18	C	C	.	.	I	π-helix	trans	-62.6	-38.8	179.9	-84.8	-84.2	0	0	0	112	T319 A320 V323 V324 R356 A357 I364 L365	T319-F360 HydrophobicContact CG2-CE1 3.9Å; T319-F360 HydrophobicContact CG2-CZ 4.37Å; A320-F360 HydrophobicContact CB-CB 4.1Å; A320-F360 HydrophobicContact CB-CD1 3.7Å; A320-F360 HydrophobicContact CB-CG 4.37Å; V323-F360 HydrophobicContact CB-CD2 4.19Å; V323-F360 HydrophobicContact CB-CG 4.21Å; V323-F360 HydrophobicContact CG1-CB 4.3Å; V323-F360 HydrophobicContact CG1-CD2 3.63Å; V323-F360 HydrophobicContact CG1-CE2 4.14Å; V323-F360 HydrophobicContact CG1-CG 4.04Å; V323-F360 HydrophobicContact CG2-CD2 4.33Å; V323-F360 HydrophobicContact CG2-CE2 4.23Å; V323-F360 HydrophobicContact CG2-CZ 4.33Å; V324-F360 HydrophobicContact CG2-CB 4.09Å; R356-F360 HydrophobicContact CG-CD2 3.89Å; R356-F360 HydrophobicContact CG-CE2 3.9Å; R356-F360 WeakPolarHBondContact O-CD2 3.25Å; R356-F360 PolarHBondContact O-N 2.79Å; R356-F360 VanDerWaalsContact O-N 3.08Å; A357-F360 PolarHBondContact O-N 2.88Å; F360-I364 HydrophobicContact CD1-CD1 3.59Å; F360-I364 HydrophobicContact CD1-CG1 4.21Å; F360-I364 HydrophobicContact CE1-CD1 3.72Å; F360-I364 WeakPolarHBondContact O-CB 3.49Å; F360-I364 PolarHBondContact O-N 3.12Å; F360-L365 PolarHBondContact O-N 3.35Å; F360-L365 VanDerWaalsContact O-N 3.12Å
361	S	91.3	Very high	88.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	I	π-helix	trans	-65.1	-42.2	177	66.3	0	0	0	0	112.3	A357 V358 R359 L365 K366 A367	A357-S361 WeakPolarHBondContact O-CB 3.5Å; A357-S361 PolarHBondContact O-N 3.41Å; A357-S361 PolarHBondContact O-OG 2.84Å; V358-S361 WeakPolarHBondContact CA-OG 3.4Å; V358-S361 PolarHBondContact O-OG 3.19Å; R359-S361 VanDerWaalsContact C-N 3.31Å; R359-S361 PolarHBondContact O-N 3.28Å; S361-L365 CarbonylContact O-C 3.56Å; S361-L365 WeakPolarHBondContact O-CB 3.41Å; S361-L365 PolarHBondContact O-N 2.94Å; S361-K366 PolarHBondContact O-N 3.11Å; S361-K366 VanDerWaalsContact O-N 3.11Å; S361-A367 WeakPolarHBondContact O-CB 3.4Å; S361-A367 PolarHBondContact O-N 2.99Å
362	M	86.9	Confident	88.6	Confident	53 Å²	53	34.5 Å²	34.5	26%	0.261	18%	0.175	S	C	.	.	I	π-helix	trans	-88.5	-45.1	-174.9	-71.8	-170	59.2	0	0	114.4	V358 R359 K366 L409	V358-M362 HydrophobicContact CG1-CG 4.46Å; V358-M362 HydrophobicContact CG1-SD 4.03Å; V358-M362 WeakPolarHBondContact O-CB 3.31Å; V358-M362 PolarHBondContact O-N 2.68Å; R359-M362 PolarHBondContact O-N 3.39Å; M362-K366 WeakPolarHBondContact O-CA 3.36Å; M362-K366 PolarHBondContact O-N 3.38Å; M362-L409 HydrophobicContact CE-CD1 4.14Å; M362-L409 HydrophobicContact CE-CD2 3.77Å; M362-L409 HydrophobicContact SD-CD1 3.57Å; M362-L409 VanDerWaalsContact SD-CD1 3.57Å; M362-L409 HydrophobicContact SD-CD2 3.18Å; M362-L409 WeakPolarHBondContact SD-CD2 3.46Å; M362-L409 HydrophobicContact SD-CG 3.97Å
363	E	83.4	Confident	89	Confident	31 Å²	31	28 Å²	28	15%	0.145	15%	0.151	C	C	.	.	I	π-helix	trans	-78.1	-36.6	-174.2	-64.2	-173.5	161	0	0	111.5	R359 K366 R416	R359-E363 HydrophobicContact CG-CG 4.34Å; R359-E363 WeakPolarHBondContact CG-OE2 3.31Å; R359-E363 IonicContact NE-OE2 3.54Å; R359-E363 PolarHBondContact NE-OE2 2.81Å; R359-E363 WeakPolarHBondContact O-CB 3.35Å; R359-E363 PolarHBondContact O-N 2.76Å; E363-K366 WeakPolarHBondContact O-CE 3.39Å; E363-K366 PolarHBondContact O-NZ 3.12Å; E363-R416 IonicContact OE1-NH2 2.92Å; E363-R416 PolarHBondContact OE1-NH2 3.07Å
364	I	87.9	Confident	89.2	Confident	46 Å²	46	31.2 Å²	31.2	24%	0.236	17%	0.173	C	C	.	.	I	π-helix	trans	-98.4	-57.7	-177.6	-49.2	-158.3	0	0	0	110.9	G315 R316 A320 F360 K366	G315-I364 WeakPolarHBondContact O-CG2 3.47Å; R316-I364 HydrophobicContact CB-CD1 3.87Å; A320-I364 HydrophobicContact CB-CB 3.89Å; A320-I364 HydrophobicContact CB-CD1 4.5Å; A320-I364 HydrophobicContact CB-CG2 3.82Å; F360-I364 HydrophobicContact CD1-CD1 3.59Å; F360-I364 HydrophobicContact CD1-CG1 4.21Å; F360-I364 HydrophobicContact CE1-CD1 3.72Å; F360-I364 WeakPolarHBondContact O-CB 3.49Å; F360-I364 PolarHBondContact O-N 3.12Å; I364-K366 VanDerWaalsContact C-N 3.26Å; I364-K366 PolarHBondContact O-N 3.21Å
365	L	91.8	Very high	89.5	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.031	17%	0.172	C	C	.	.	S	Bend	trans	-79.2	-6.6	-176.4	-57.8	174.1	0	0	0	113.8	I296 C300 A302 T317 A320 Y321 V324 F360 S361 A367	I296-L365 HydrophobicContact CG2-CD1 3.56Å; C300-L365 HydrophobicContact CB-CB 4.07Å; C300-L365 WeakPolarHBondContact CB-O 3.37Å; A302-L365 HydrophobicContact CB-CD2 4.01Å; T317-L365 HydrophobicContact CG2-CD2 4.12Å; A320-L365 HydrophobicContact CB-CD1 4.02Å; A320-L365 HydrophobicContact CB-CD2 3.87Å; A320-L365 HydrophobicContact CB-CG 3.67Å; Y321-L365 HydrophobicContact CD2-CD2 3.95Å; Y321-L365 HydrophobicContact CE2-CD2 3.87Å; V324-L365 HydrophobicContact CG2-CD1 4.18Å; F360-L365 PolarHBondContact O-N 3.35Å; F360-L365 VanDerWaalsContact O-N 3.12Å; S361-L365 CarbonylContact O-C 3.56Å; S361-L365 WeakPolarHBondContact O-CB 3.41Å; S361-L365 PolarHBondContact O-N 2.94Å; L365-A367 PolarHBondContact O-N 3.35Å
366	K	90.9	Very high	90.1	Very high	157 Å²	157	30.5 Å²	30.5	68%	0.683	17%	0.17	S	C	*	.			trans	55.7	33.8	-179.5	-50.8	-54.3	-173.7	-171.2	0	113.4	S361 M362 E363 I364	S361-K366 PolarHBondContact O-N 3.11Å; S361-K366 VanDerWaalsContact O-N 3.11Å; M362-K366 WeakPolarHBondContact O-CA 3.36Å; M362-K366 PolarHBondContact O-N 3.38Å; E363-K366 WeakPolarHBondContact O-CE 3.39Å; E363-K366 PolarHBondContact O-NZ 3.12Å; I364-K366 VanDerWaalsContact C-N 3.26Å; I364-K366 PolarHBondContact O-N 3.21Å
367	A	91.3	Very high	90.5	Very high	7 Å²	7	32.4 Å²	32.4	6%	0.058	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-61	146.5	177.8	0	0	0	0	0	112.1	C300 S361 L365 F371	C300-A367 VanDerWaalsContact SG-CB 3.55Å; S361-A367 WeakPolarHBondContact O-CB 3.4Å; S361-A367 PolarHBondContact O-N 2.99Å; L365-A367 PolarHBondContact O-N 3.35Å; A367-F371 HydrophobicContact CB-CB 3.86Å; A367-F371 HydrophobicContact CB-CD1 3.63Å; A367-F371 HydrophobicContact CB-CE1 4.46Å; A367-F371 HydrophobicContact CB-CG 3.81Å
368	P	90.1	Very high	90.8	Very high	68 Å²	68	33.6 Å²	33.6	44%	0.442	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-67.2	155.9	171.2	29.7	-34.4	0	0	0	111.4	F371	P368-F371 HydrophobicContact CG-CB 4.44Å; P368-F371 WeakPolarHBondContact O-CB 3.45Å; P368-F371 PolarHBondContact O-N 3.36Å
369	P	87.2	Confident	91.1	Very high	100 Å²	100	33.5 Å²	33.5	65%	0.649	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	139.1	173.8	-22.9	33.4	0	0	0	112.4	L409	P369-L409 HydrophobicContact CB-CD1 4.08Å
370	G	85.4	Confident	91.6	Very high	27 Å²	27	33 Å²	33	28%	0.278	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	15.4	-177.8	0	0	0	0	0	113.2	L402 E405	G370-L402 WeakPolarHBondContact O-CD2 3.41Å; G370-E405 VanDerWaalsContact C-OE2 3.29Å; G370-E405 VanDerWaalsContact CA-CD 3.48Å; G370-E405 WeakPolarHBondContact CA-OE1 3.5Å; G370-E405 VanDerWaalsContact CA-OE2 3.23Å; G370-E405 WeakPolarHBondContact CA-OE2 3.2Å; G370-E405 VanDerWaalsContact N-CD 3.3Å; G370-E405 PolarHBondContact N-OE1 3.13Å
371	F	92.4	Very high	91.8	Very high	9 Å²	9	39.8 Å²	39.8	4%	0.039	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-38.6	-175.1	173.4	-109.9	0	0	0	112.5	I296 C300 A367 P368 G373 S374 L375 E405	I296-F371 HydrophobicContact CG1-CE1 4.41Å; I296-F371 HydrophobicContact CG1-CZ 4.31Å; C300-F371 WeakPolarHBondContact SG-CE1 3.39Å; A367-F371 HydrophobicContact CB-CB 3.86Å; A367-F371 HydrophobicContact CB-CD1 3.63Å; A367-F371 HydrophobicContact CB-CE1 4.46Å; A367-F371 HydrophobicContact CB-CG 3.81Å; P368-F371 HydrophobicContact CG-CB 4.44Å; P368-F371 WeakPolarHBondContact O-CB 3.45Å; P368-F371 PolarHBondContact O-N 3.36Å; F371-G373 PolarHBondContact O-N 3.21Å; F371-S374 WeakPolarHBondContact O-CB 3.37Å; F371-S374 PolarHBondContact O-N 3.2Å; F371-S374 VanDerWaalsContact O-N 3.09Å; F371-S374 PolarHBondContact O-OG 3.4Å; F371-L375 HydrophobicContact CE1-CD1 3.75Å; F371-L375 HydrophobicContact CE1-CD2 4.46Å; F371-L375 HydrophobicContact CE1-CG 4.17Å; F371-L375 HydrophobicContact CE2-CD2 4.26Å; F371-L375 HydrophobicContact CE2-CG 4.39Å; F371-L375 HydrophobicContact CZ-CD1 3.88Å; F371-L375 HydrophobicContact CZ-CD2 3.74Å; F371-L375 HydrophobicContact CZ-CG 3.85Å; F371-E405 PolarHBondContact N-OE1 3.01Å; F371-E405 PolarHBondContact N-OE2 3.33Å
372	L	93	Very high	91.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-62.1	-43.4	-173.5	-75.3	179.1	0	0	0	112.6	V324 I328 A357 V358 S374 L375 V401 E405	V324-L372 HydrophobicContact CG1-CD2 3.84Å; I328-L372 WeakPolarHBondContact CD1-O 3.35Å; A357-L372 HydrophobicContact CB-CD1 3.83Å; A357-L372 HydrophobicContact CB-CD2 4Å; V358-L372 HydrophobicContact CB-CD1 4.16Å; V358-L372 HydrophobicContact CG2-CD1 3.29Å; V358-L372 HydrophobicContact CG2-CG 4.44Å; L372-S374 PolarHBondContact O-N 3.47Å; L372-L375 WeakPolarHBondContact O-CB 3.46Å; L372-L375 PolarHBondContact O-N 3.14Å; L372-V401 HydrophobicContact CB-CG1 3.83Å; L372-E405 PolarHBondContact N-OE2 2.58Å
373	G	92.1	Very high	92.1	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.021	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-63.3	-22.5	179.6	0	0	0	0	0	113.8	F371 L375 S398	F371-G373 PolarHBondContact O-N 3.21Å; G373-L375 VanDerWaalsContact C-N 3.28Å; G373-L375 PolarHBondContact O-N 3.5Å; G373-S398 PolarHBondContact O-OG 3.18Å
374	S	93.8	Very high	92.4	Very high	67 Å²	67	37.2 Å²	37.2	47%	0.469	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-73.8	-16.3	176.2	80.2	0	0	0	0	113.9	F371 L372 P377	F371-S374 WeakPolarHBondContact O-CB 3.37Å; F371-S374 PolarHBondContact O-N 3.2Å; F371-S374 VanDerWaalsContact O-N 3.09Å; F371-S374 PolarHBondContact O-OG 3.4Å; L372-S374 PolarHBondContact O-N 3.47Å; S374-P377 WeakPolarHBondContact O-CD 3.08Å
375	L	96.6	Very high	92.5	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-84.2	-17.5	178.3	-68.2	177.2	0	0	0	113.2	L292 A295 I296 V324 I328 F371 L372 G373 V378 V379	L292-L375 HydrophobicContact CD2-CB 4.45Å; A295-L375 HydrophobicContact CB-CD2 3.71Å; I296-L375 HydrophobicContact CD1-CD1 4.41Å; I296-L375 HydrophobicContact CG1-CD1 3.84Å; I296-L375 HydrophobicContact CG1-CD2 4.08Å; V324-L375 HydrophobicContact CG1-CD1 3.77Å; I328-L375 HydrophobicContact CG1-CB 3.92Å; I328-L375 HydrophobicContact CG2-CB 4.33Å; I328-L375 HydrophobicContact CG2-CD1 4.33Å; F371-L375 HydrophobicContact CE1-CD1 3.75Å; F371-L375 HydrophobicContact CE1-CD2 4.46Å; F371-L375 HydrophobicContact CE1-CG 4.17Å; F371-L375 HydrophobicContact CE2-CD2 4.26Å; F371-L375 HydrophobicContact CE2-CG 4.39Å; F371-L375 HydrophobicContact CZ-CD1 3.88Å; F371-L375 HydrophobicContact CZ-CD2 3.74Å; F371-L375 HydrophobicContact CZ-CG 3.85Å; L372-L375 WeakPolarHBondContact O-CB 3.46Å; L372-L375 PolarHBondContact O-N 3.14Å; G373-L375 VanDerWaalsContact C-N 3.28Å; G373-L375 PolarHBondContact O-N 3.5Å; L375-V378 WeakPolarHBondContact O-CB 3.49Å; L375-V378 PolarHBondContact O-N 2.93Å; L375-V379 PolarHBondContact O-N 3.49Å
376	V	96.8	Very high	92.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-55.5	-43.2	-178.4	174.7	0	0	0	0	113.1	I328 V378 V379 V380 I397 S398	I328-V376 HydrophobicContact CD1-CG2 3.99Å; I328-V376 HydrophobicContact CG1-CG2 4.45Å; V376-V378 PolarHBondContact O-N 3.4Å; V376-V379 WeakPolarHBondContact O-CB 3.38Å; V376-V379 PolarHBondContact O-N 3.38Å; V376-V379 VanDerWaalsContact O-N 3.08Å; V376-V380 HydrophobicContact CG1-CG2 4.5Å; V376-V380 WeakPolarHBondContact O-CG2 3.47Å; V376-V380 PolarHBondContact O-N 2.72Å; V376-I397 HydrophobicContact CG1-CB 4.05Å; V376-I397 HydrophobicContact CG1-CG2 3.72Å; V376-I397 HydrophobicContact CG2-CG2 4Å; V376-S398 WeakPolarHBondContact CB-OG 3.26Å
377	P	95.8	Very high	92.5	Very high	69 Å²	69	36 Å²	36	45%	0.448	22%	0.22	S	C	.	.	H	α-helix	trans	-57.5	-33.3	175.8	-26.5	36.6	0	0	0	114	S374 V380 E381	S374-P377 WeakPolarHBondContact O-CD 3.08Å; P377-V380 WeakPolarHBondContact O-CB 3.34Å; P377-V380 PolarHBondContact O-N 2.65Å; P377-E381 PolarHBondContact O-N 3.49Å
378	V	96.5	Very high	92.4	Very high	25 Å²	25	38.1 Å²	38.1	15%	0.152	23%	0.234	C	C	.	.	H	α-helix	trans	-73.6	-34.2	178	-173.3	0	0	0	0	111.1	P291 L292 A295 L375 V376 V380 E381 T382	P291-V378 HydrophobicContact CB-CG1 3.83Å; L292-V378 HydrophobicContact CD2-CB 3.83Å; L292-V378 HydrophobicContact CD2-CG1 3.8Å; L292-V378 HydrophobicContact CG-CG1 3.97Å; A295-V378 HydrophobicContact CB-CG2 3.95Å; L375-V378 WeakPolarHBondContact O-CB 3.49Å; L375-V378 PolarHBondContact O-N 2.93Å; V376-V378 PolarHBondContact O-N 3.4Å; V378-V380 VanDerWaalsContact C-N 3.31Å; V378-E381 PolarHBondContact O-N 2.97Å; V378-T382 PolarHBondContact O-N 2.95Å; V378-T382 PolarHBondContact O-OG1 2.93Å
379	V	96.7	Very high	92.1	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-43.5	169.8	-179.6	0	0	0	0	110.3	L292 I328 R329 L375 V376 E381 T382 L383	L292-V379 HydrophobicContact CD1-CG2 4.29Å; L292-V379 HydrophobicContact CD2-CG2 3.86Å; I328-V379 HydrophobicContact CG1-CG2 4.18Å; I328-V379 HydrophobicContact CG2-CG2 3.95Å; R329-V379 HydrophobicContact CG-CG1 4.25Å; R329-V379 HydrophobicContact CG-CG2 4.27Å; L375-V379 PolarHBondContact O-N 3.49Å; V376-V379 WeakPolarHBondContact O-CB 3.38Å; V376-V379 PolarHBondContact O-N 3.38Å; V376-V379 VanDerWaalsContact O-N 3.08Å; V379-E381 VanDerWaalsContact C-N 3.34Å; V379-E381 PolarHBondContact O-N 2.97Å; V379-T382 PolarHBondContact O-N 3.24Å; V379-T382 VanDerWaalsContact O-N 3.15Å; V379-L383 HydrophobicContact CG1-CD1 3.88Å; V379-L383 WeakPolarHBondContact O-CB 3.27Å; V379-L383 PolarHBondContact O-N 3.4Å
380	V	95.3	Very high	92.3	Very high	19 Å²	19	32.3 Å²	32.3	12%	0.115	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-37.3	177.9	176	0	0	0	0	111.9	V376 P377 V378 T382 G384 L390 Q391	V376-V380 HydrophobicContact CG1-CG2 4.5Å; V376-V380 WeakPolarHBondContact O-CG2 3.47Å; V376-V380 PolarHBondContact O-N 2.72Å; P377-V380 WeakPolarHBondContact O-CB 3.34Å; P377-V380 PolarHBondContact O-N 2.65Å; V378-V380 VanDerWaalsContact C-N 3.31Å; V380-T382 VanDerWaalsContact C-N 3.26Å; V380-T382 PolarHBondContact O-N 2.97Å; V380-G384 WeakPolarHBondContact O-CA 3.5Å; V380-G384 PolarHBondContact O-N 3.39Å; V380-L390 HydrophobicContact CG2-CB 4.37Å; V380-Q391 HydrophobicContact CG1-CB 4.24Å; V380-Q391 HydrophobicContact CG1-CG 3.54Å
381	E	92.4	Very high	92.5	Very high	147 Å²	147	35.4 Å²	35.4	69%	0.687	20%	0.199	S	C	*	.	H	α-helix	trans	-60	-36.8	173.6	-175	-178.6	176.1	0	0	112.2	P377 V378 V379	P377-E381 PolarHBondContact O-N 3.49Å; V378-E381 PolarHBondContact O-N 2.97Å; V379-E381 VanDerWaalsContact C-N 3.34Å; V379-E381 PolarHBondContact O-N 2.97Å
382	T	90.9	Very high	92.2	Very high	31 Å²	31	44.2 Å²	44.2	19%	0.19	23%	0.232	C	C	.	.	H	α-helix	trans	-86.3	-38.5	-174.7	-48.9	0	0	0	0	112.8	L288 V378 V379 V380	L288-T382 HydrophobicContact CD2-CG2 4.32Å; V378-T382 PolarHBondContact O-N 2.95Å; V378-T382 PolarHBondContact O-OG1 2.93Å; V379-T382 PolarHBondContact O-N 3.24Å; V379-T382 VanDerWaalsContact O-N 3.15Å; V380-T382 VanDerWaalsContact C-N 3.26Å; V380-T382 PolarHBondContact O-N 2.97Å
383	L	93.4	Very high	91.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-111.3	-16.9	-171.1	-66.6	179.5	0	0	0	114.1	F130 E132 R329 V333 V379 D385 A386 Y387 L390	F130-L383 HydrophobicContact CE1-CD1 3.71Å; F130-L383 HydrophobicContact CZ-CD1 4.37Å; E132-L383 WeakPolarHBondContact OE1-CD2 3.17Å; R329-L383 HydrophobicContact CG-CD1 4.44Å; V333-L383 HydrophobicContact CG2-CD1 4.21Å; V379-L383 HydrophobicContact CG1-CD1 3.88Å; V379-L383 WeakPolarHBondContact O-CB 3.27Å; V379-L383 PolarHBondContact O-N 3.4Å; L383-D385 VanDerWaalsContact C-N 3.3Å; L383-D385 PolarHBondContact O-N 2.9Å; L383-A386 PolarHBondContact O-N 3.1Å; L383-A386 VanDerWaalsContact O-N 3.12Å; L383-Y387 HydrophobicContact CB-CD2 4.2Å; L383-Y387 HydrophobicContact CD2-CE2 4.39Å; L383-Y387 PolarHBondContact O-N 2.78Å; L383-L390 HydrophobicContact CB-CD1 3.62Å; L383-L390 HydrophobicContact CD1-CD1 4.33Å
384	G	90.8	Very high	91.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.5	-168.1	0	0	0	0	0	114.8	V380 Y387 P388 Q391	V380-G384 WeakPolarHBondContact O-CA 3.5Å; V380-G384 PolarHBondContact O-N 3.39Å; G384-Y387 CarbonylContact O-C 3.36Å; G384-Y387 VanDerWaalsContact O-C 3.23Å; G384-Y387 PolarHBondContact O-N 3.12Å; G384-P388 WeakPolarHBondContact O-CA 3.43Å; G384-Q391 VanDerWaalsContact C-NE2 3.25Å; G384-Q391 PolarHBondContact O-NE2 3.5Å
385	D	89.6	Confident	91.4	Very high	140 Å²	140	48 Å²	48	75%	0.749	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-35.3	176.6	-70.7	-10.3	0	0	0	112.1	L383 Q391	L383-D385 VanDerWaalsContact C-N 3.3Å; L383-D385 PolarHBondContact O-N 2.9Å; D385-Q391 PolarHBondContact OD1-NE2 3.07Å
386	A	89.8	Confident	90.8	Very high	35 Å²	35	51.2 Å²	51.2	29%	0.289	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-31.7	176.7	0	0	0	0	0	111.8	L383	L383-A386 PolarHBondContact O-N 3.1Å; L383-A386 VanDerWaalsContact O-N 3.12Å
387	Y	92.6	Very high	90.5	Very high	7 Å²	7	51.2 Å²	51.2	3%	0.027	27%	0.273	C	S	.	.			trans	-130.5	80.8	-175.6	-52.4	-65	0	0	0	110.6	S105 K107 E132 L383 G384 E389 L390	S105-Y387 PolarHBondContact O-OH 2.98Å; K107-Y387 HydrophobicContact CD-CD1 3.6Å; K107-Y387 HydrophobicContact CD-CD2 4.46Å; K107-Y387 HydrophobicContact CD-CE1 3.7Å; K107-Y387 HydrophobicContact CD-CG 4.02Å; K107-Y387 HydrophobicContact CG-CD1 3.85Å; K107-Y387 HydrophobicContact CG-CE1 3.37Å; K107-Y387 HydrophobicContact CG-CE2 4.12Å; K107-Y387 HydrophobicContact CG-CG 4.41Å; E132-Y387 VanDerWaalsContact CD-OH 3.26Å; E132-Y387 HydrophobicContact CG-CE2 4.25Å; E132-Y387 WeakPolarHBondContact CG-OH 3.46Å; E132-Y387 WeakPolarHBondContact OE2-CE2 3.36Å; E132-Y387 PolarHBondContact OE2-OH 3.44Å; L383-Y387 HydrophobicContact CB-CD2 4.2Å; L383-Y387 HydrophobicContact CD2-CE2 4.39Å; L383-Y387 PolarHBondContact O-N 2.78Å; G384-Y387 CarbonylContact O-C 3.36Å; G384-Y387 VanDerWaalsContact O-C 3.23Å; G384-Y387 PolarHBondContact O-N 3.12Å; Y387-E389 VanDerWaalsContact C-OE2 3.29Å; Y387-E389 PolarHBondContact O-N 3.14Å; Y387-E389 VanDerWaalsContact O-N 3.09Å; Y387-L390 HydrophobicContact CD2-CD1 4.44Å; Y387-L390 WeakPolarHBondContact O-CB 3.45Å; Y387-L390 PolarHBondContact O-N 3.09Å
388	P	88.9	Confident	90.3	Very high	53 Å²	53	48.8 Å²	48.8	34%	0.344	26%	0.258	S	S	.	.	H	α-helix	trans	-59.2	-23.7	-173.9	-26.1	35.7	0	0	0	114.6	G384 L390 Q391 R392	G384-P388 WeakPolarHBondContact O-CA 3.43Å; P388-L390 PolarHBondContact O-N 3.18Å; P388-Q391 WeakPolarHBondContact O-CB 3.42Å; P388-Q391 PolarHBondContact O-N 3.03Å; P388-Q391 VanDerWaalsContact O-N 3.12Å; P388-R392 WeakPolarHBondContact O-CG 3.38Å; P388-R392 PolarHBondContact O-N 3.47Å; P388-R392 VanDerWaalsContact O-N 3.09Å
389	E	85.2	Confident	89.9	Confident	45 Å²	45	52 Å²	52	21%	0.21	27%	0.274	C	S	.	.	H	α-helix	trans	-58.5	-32.1	173	62.9	-84.3	-165	0	0	112.9	K107 Y387 Q391 R392 N393	K107-E389 IonicContact NZ-OE1 2.68Å; K107-E389 PolarHBondContact NZ-OE1 3.34Å; Y387-E389 VanDerWaalsContact C-OE2 3.29Å; Y387-E389 PolarHBondContact O-N 3.14Å; Y387-E389 VanDerWaalsContact O-N 3.09Å; E389-Q391 VanDerWaalsContact C-N 3.34Å; E389-R392 PolarHBondContact O-N 3.3Å; E389-N393 WeakPolarHBondContact O-CB 3.24Å; E389-N393 PolarHBondContact O-N 3.05Å
390	L	90.7	Very high	89.4	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-40.1	173.5	-74.4	171.9	0	0	0	111.6	S332 V333 S336 V380 L383 Y387 P388 S394 I397	S332-L390 WeakPolarHBondContact O-CD2 3.43Å; V333-L390 HydrophobicContact CG2-CD1 4.3Å; V333-L390 HydrophobicContact CG2-CD2 4.46Å; S336-L390 WeakPolarHBondContact OG-CD2 3.36Å; V380-L390 HydrophobicContact CG2-CB 4.37Å; L383-L390 HydrophobicContact CB-CD1 3.62Å; L383-L390 HydrophobicContact CD1-CD1 4.33Å; Y387-L390 HydrophobicContact CD2-CD1 4.44Å; Y387-L390 WeakPolarHBondContact O-CB 3.45Å; Y387-L390 PolarHBondContact O-N 3.09Å; P388-L390 PolarHBondContact O-N 3.18Å; L390-S394 WeakPolarHBondContact O-CA 3.5Å; L390-S394 PolarHBondContact O-N 3.04Å; L390-S394 VanDerWaalsContact O-N 3.1Å; L390-I397 HydrophobicContact CD2-CD1 4.12Å
391	Q	89.7	Confident	89.3	Confident	92 Å²	92	52.1 Å²	52.1	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-66.8	-45.4	177.2	-68.2	178.2	-5.8	0	0	110.8	V380 G384 D385 P388 E389 N393	V380-Q391 HydrophobicContact CG1-CB 4.24Å; V380-Q391 HydrophobicContact CG1-CG 3.54Å; G384-Q391 VanDerWaalsContact C-NE2 3.25Å; G384-Q391 PolarHBondContact O-NE2 3.5Å; D385-Q391 PolarHBondContact OD1-NE2 3.07Å; P388-Q391 WeakPolarHBondContact O-CB 3.42Å; P388-Q391 PolarHBondContact O-N 3.03Å; P388-Q391 VanDerWaalsContact O-N 3.12Å; E389-Q391 VanDerWaalsContact C-N 3.34Å; Q391-N393 VanDerWaalsContact C-N 3.32Å; Q391-N393 PolarHBondContact O-N 3.24Å
392	R	85.4	Confident	89.2	Confident	194 Å²	194	48 Å²	48	73%	0.732	26%	0.256	S	S	*	.	H	α-helix	trans	-61.2	-39.7	-180	-65.3	176.6	-156.6	161.2	6.6	112.3	P388 E389	P388-R392 WeakPolarHBondContact O-CG 3.38Å; P388-R392 PolarHBondContact O-N 3.47Å; P388-R392 VanDerWaalsContact O-N 3.09Å; E389-R392 PolarHBondContact O-N 3.3Å
393	N	84.9	Confident	88.9	Confident	55 Å²	55	51.4 Å²	51.4	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-101.4	6.5	-171.8	-64.7	-19.9	0	0	0	114	E389 Q391 A395 Q396 I397	E389-N393 WeakPolarHBondContact O-CB 3.24Å; E389-N393 PolarHBondContact O-N 3.05Å; Q391-N393 VanDerWaalsContact C-N 3.32Å; Q391-N393 PolarHBondContact O-N 3.24Å; N393-A395 PolarHBondContact O-N 3.5Å; N393-Q396 WeakPolarHBondContact O-CB 3.24Å; N393-Q396 PolarHBondContact O-N 2.99Å; N393-I397 HydrophobicContact CB-CD1 3.98Å; N393-I397 HydrophobicContact CB-CG1 4.24Å; N393-I397 VanDerWaalsContact O-CG1 3.29Å; N393-I397 WeakPolarHBondContact O-CG1 3.42Å; N393-I397 PolarHBondContact O-N 2.96Å
394	S	90.1	Very high	88.6	Confident	25 Å²	25	52.5 Å²	52.5	18%	0.175	28%	0.276	C	S	.	.	H	α-helix	trans	-48.9	-50.6	-172.4	-178.4	0	0	0	0	114	L390 Q396 I397 S398	L390-S394 WeakPolarHBondContact O-CA 3.5Å; L390-S394 PolarHBondContact O-N 3.04Å; L390-S394 VanDerWaalsContact O-N 3.1Å; S394-Q396 PolarHBondContact O-N 2.92Å; S394-I397 PolarHBondContact O-N 3.36Å; S394-S398 PolarHBondContact O-N 3.19Å; S394-S398 PolarHBondContact O-OG 2.89Å
395	A	88	Confident	88.5	Confident	69 Å²	69	52.5 Å²	52.5	57%	0.57	28%	0.276	S	S	*	.	H	α-helix	trans	-64.9	-38.6	-178.8	0	0	0	0	0	112.8	N393 N399	N393-A395 PolarHBondContact O-N 3.5Å; A395-N399 VanDerWaalsContact O-CG 3.27Å; A395-N399 PolarHBondContact O-N 2.92Å; A395-N399 VanDerWaalsContact O-N 3.07Å; A395-N399 PolarHBondContact O-ND2 2.86Å
396	Q	84.3	Confident	88.4	Confident	69 Å²	69	48.7 Å²	48.7	32%	0.322	26%	0.264	S	S	.	.	H	α-helix	trans	-66.1	-44	176.2	178	-179.7	-11	0	0	110.9	N393 S394 N399 L400	N393-Q396 WeakPolarHBondContact O-CB 3.24Å; N393-Q396 PolarHBondContact O-N 2.99Å; S394-Q396 PolarHBondContact O-N 2.92Å; Q396-N399 PolarHBondContact O-N 3.13Å; Q396-L400 HydrophobicContact CG-CD1 3.9Å; Q396-L400 HydrophobicContact CG-CG 4.5Å; Q396-L400 WeakPolarHBondContact O-CB 3.47Å; Q396-L400 WeakPolarHBondContact O-CG 3.35Å; Q396-L400 PolarHBondContact O-N 2.7Å
397	I	89.8	Confident	88	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-59.3	-50.4	177.5	-63.5	161.2	0	0	0	109.9	I335 V376 L390 N393 S394 N399 L400 V401	I335-I397 HydrophobicContact CB-CG1 4.28Å; I335-I397 HydrophobicContact CB-CG2 4.41Å; I335-I397 HydrophobicContact CD1-CG2 4.47Å; I335-I397 HydrophobicContact CG2-CB 4.3Å; I335-I397 HydrophobicContact CG2-CG1 3.81Å; I335-I397 HydrophobicContact CG2-CG2 4.4Å; V376-I397 HydrophobicContact CG1-CB 4.05Å; V376-I397 HydrophobicContact CG1-CG2 3.72Å; V376-I397 HydrophobicContact CG2-CG2 4Å; L390-I397 HydrophobicContact CD2-CD1 4.12Å; N393-I397 HydrophobicContact CB-CD1 3.98Å; N393-I397 HydrophobicContact CB-CG1 4.24Å; N393-I397 VanDerWaalsContact O-CG1 3.29Å; N393-I397 WeakPolarHBondContact O-CG1 3.42Å; N393-I397 PolarHBondContact O-N 2.96Å; S394-I397 PolarHBondContact O-N 3.36Å; I397-N399 PolarHBondContact O-N 3.45Å; I397-L400 PolarHBondContact O-N 3.45Å; I397-V401 WeakPolarHBondContact O-CG2 3.38Å; I397-V401 PolarHBondContact O-N 3.08Å
398	S	92.5	Very high	87.5	Confident	17 Å²	17	49.3 Å²	49.3	12%	0.119	27%	0.269	C	S	.	.	H	α-helix	trans	-54.4	-50.1	176.5	-73.8	0	0	0	0	112.3	G373 V376 S394 L400 V401 L402	G373-S398 PolarHBondContact O-OG 3.18Å; V376-S398 WeakPolarHBondContact CB-OG 3.26Å; S394-S398 PolarHBondContact O-N 3.19Å; S394-S398 PolarHBondContact O-OG 2.89Å; S398-L400 PolarHBondContact O-N 3.12Å; S398-V401 PolarHBondContact O-N 2.74Å; S398-L402 WeakPolarHBondContact O-CB 3.28Å; S398-L402 VanDerWaalsContact O-CG 3.25Å; S398-L402 WeakPolarHBondContact O-CG 3.39Å; S398-L402 PolarHBondContact O-N 2.73Å
399	N	88	Confident	87.3	Confident	92 Å²	92	48.3 Å²	48.3	49%	0.492	26%	0.261	S	S	.	.	H	α-helix	trans	-62.8	-43.3	-178.1	-71.8	-19.5	0	0	0	112.3	A395 Q396 I397 V401 L402 E403	A395-N399 VanDerWaalsContact O-CG 3.27Å; A395-N399 PolarHBondContact O-N 2.92Å; A395-N399 VanDerWaalsContact O-N 3.07Å; A395-N399 PolarHBondContact O-ND2 2.86Å; Q396-N399 PolarHBondContact O-N 3.13Å; I397-N399 PolarHBondContact O-N 3.45Å; N399-V401 PolarHBondContact O-N 3.43Å; N399-L402 PolarHBondContact O-N 2.89Å; N399-E403 WeakPolarHBondContact O-CG 3.39Å; N399-E403 PolarHBondContact O-N 3.35Å
400	L	86.3	Confident	87.1	Confident	22 Å²	22	48.7 Å²	48.7	12%	0.115	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-44.2	178.7	-73.7	168.7	0	0	0	112	I335 F340 Q396 I397 S398 E403 D404	I335-L400 HydrophobicContact CG2-CD1 3.66Å; F340-L400 HydrophobicContact CD1-CD1 3.75Å; F340-L400 HydrophobicContact CE1-CD1 3.58Å; Q396-L400 HydrophobicContact CG-CD1 3.9Å; Q396-L400 HydrophobicContact CG-CG 4.5Å; Q396-L400 WeakPolarHBondContact O-CB 3.47Å; Q396-L400 WeakPolarHBondContact O-CG 3.35Å; Q396-L400 PolarHBondContact O-N 2.7Å; I397-L400 PolarHBondContact O-N 3.45Å; S398-L400 PolarHBondContact O-N 3.12Å; L400-E403 PolarHBondContact O-N 2.79Å; L400-D404 WeakPolarHBondContact O-CB 3.27Å; L400-D404 PolarHBondContact O-N 2.59Å
401	V	91.3	Very high	86.5	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-45.6	176	173.9	0	0	0	0	110.9	I328 I335 L372 I397 S398 N399 E403 D404 E405	I328-V401 HydrophobicContact CD1-CG1 4.23Å; I335-V401 HydrophobicContact CD1-CG2 3.72Å; L372-V401 HydrophobicContact CB-CG1 3.83Å; I397-V401 WeakPolarHBondContact O-CG2 3.38Å; I397-V401 PolarHBondContact O-N 3.08Å; S398-V401 PolarHBondContact O-N 2.74Å; N399-V401 PolarHBondContact O-N 3.43Å; V401-E403 PolarHBondContact O-N 3.01Å; V401-D404 PolarHBondContact O-N 3.23Å; V401-E405 VanDerWaalsContact O-CB 3.31Å; V401-E405 WeakPolarHBondContact O-CB 3.35Å; V401-E405 PolarHBondContact O-N 3.13Å
402	L	90.3	Very high	86	Confident	60 Å²	60	45.5 Å²	45.5	31%	0.314	26%	0.258	S	S	.	.	H	α-helix	trans	-60.2	-46.1	178.3	-73.3	172.4	0	0	0	112.4	G370 S398 N399 E405 A406	G370-L402 WeakPolarHBondContact O-CD2 3.41Å; S398-L402 WeakPolarHBondContact O-CB 3.28Å; S398-L402 VanDerWaalsContact O-CG 3.25Å; S398-L402 WeakPolarHBondContact O-CG 3.39Å; S398-L402 PolarHBondContact O-N 2.73Å; N399-L402 PolarHBondContact O-N 2.89Å; L402-E405 PolarHBondContact O-N 3.26Å; L402-A406 WeakPolarHBondContact O-CB 3.21Å; L402-A406 PolarHBondContact O-N 3.03Å
403	E	86.3	Confident	85.7	Confident	103 Å²	103	41 Å²	41	48%	0.481	25%	0.245	S	C	.	.	H	α-helix	trans	-66.4	-39.8	179.8	-72	176.7	-176.8	0	0	112.1	N399 L400 V401 A406 A407 K773	N399-E403 WeakPolarHBondContact O-CG 3.39Å; N399-E403 PolarHBondContact O-N 3.35Å; L400-E403 PolarHBondContact O-N 2.79Å; V401-E403 PolarHBondContact O-N 3.01Å; E403-A406 PolarHBondContact O-N 3.4Å; E403-A407 WeakPolarHBondContact O-CB 3.14Å; E403-A407 PolarHBondContact O-N 3.29Å; E403-K773 WeakPolarHBondContact OE2-CE 3.4Å; E403-K773 IonicContact OE2-NZ 3.3Å; E403-K773 PolarHBondContact OE2-NZ 2.96Å; E403-K773 VanDerWaalsContact OE2-NZ 3.11Å
404	D	85.3	Confident	85.3	Confident	23 Å²	23	42.8 Å²	42.8	12%	0.123	25%	0.248	C	C	.	.	H	α-helix	trans	-72	-34.9	177.7	-82	-26.2	0	0	0	112.6	P341 L354 L400 V401 A407 F408 K773	P341-D404 WeakPolarHBondContact CB-OD2 3.39Å; P341-D404 WeakPolarHBondContact CG-OD2 3.27Å; L354-D404 HydrophobicContact CD1-CB 3.54Å; L354-D404 HydrophobicContact CD2-CB 4.16Å; L400-D404 WeakPolarHBondContact O-CB 3.27Å; L400-D404 PolarHBondContact O-N 2.59Å; V401-D404 PolarHBondContact O-N 3.23Å; D404-A407 PolarHBondContact O-N 3.05Å; D404-F408 VanDerWaalsContact O-CB 3.3Å; D404-F408 WeakPolarHBondContact O-CB 3.34Å; D404-F408 PolarHBondContact O-N 3.08Å; D404-K773 VanDerWaalsContact CG-NZ 3.3Å; D404-K773 WeakPolarHBondContact OD1-CD 3.36Å; D404-K773 WeakPolarHBondContact OD1-CE 3.45Å; D404-K773 IonicContact OD1-NZ 3.57Å; D404-K773 PolarHBondContact OD1-NZ 3.45Å; D404-K773 IonicContact OD2-NZ 3.72Å
405	E	89.1	Confident	84.8	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-57.7	-53.5	167.9	175.8	176.6	-178.2	0	0	110	V358 G370 F371 L372 V401 L402 A407 F408 L409	V358-E405 HydrophobicContact CG1-CG 4.31Å; V358-E405 HydrophobicContact CG2-CB 4.11Å; V358-E405 HydrophobicContact CG2-CG 3.88Å; G370-E405 VanDerWaalsContact C-OE2 3.29Å; G370-E405 VanDerWaalsContact CA-CD 3.48Å; G370-E405 WeakPolarHBondContact CA-OE1 3.5Å; G370-E405 VanDerWaalsContact CA-OE2 3.23Å; G370-E405 WeakPolarHBondContact CA-OE2 3.2Å; G370-E405 VanDerWaalsContact N-CD 3.3Å; G370-E405 PolarHBondContact N-OE1 3.13Å; F371-E405 PolarHBondContact N-OE1 3.01Å; F371-E405 PolarHBondContact N-OE2 3.33Å; L372-E405 PolarHBondContact N-OE2 2.58Å; V401-E405 VanDerWaalsContact O-CB 3.31Å; V401-E405 WeakPolarHBondContact O-CB 3.35Å; V401-E405 PolarHBondContact O-N 3.13Å; L402-E405 PolarHBondContact O-N 3.26Å; E405-A407 VanDerWaalsContact C-N 3.34Å; E405-A407 PolarHBondContact O-N 3.36Å; E405-F408 PolarHBondContact O-N 2.72Å; E405-F408 VanDerWaalsContact O-N 3.15Å; E405-L409 HydrophobicContact CG-CD1 4.15Å; E405-L409 WeakPolarHBondContact O-CG 3.35Å; E405-L409 PolarHBondContact O-N 3.1Å
406	A	87	Confident	84.4	Confident	59 Å²	59	42.8 Å²	42.8	49%	0.488	23%	0.229	S	C	.	.	H	α-helix	trans	-59.2	-43.4	179.3	0	0	0	0	0	112.6	L402 E403 F408 L409 A410	L402-A406 WeakPolarHBondContact O-CB 3.21Å; L402-A406 PolarHBondContact O-N 3.03Å; E403-A406 PolarHBondContact O-N 3.4Å; A406-F408 VanDerWaalsContact C-N 3.34Å; A406-F408 PolarHBondContact O-N 2.74Å; A406-L409 PolarHBondContact O-N 2.81Å; A406-A410 PolarHBondContact O-N 3Å
407	A	81.7	Confident	84.3	Confident	50 Å²	50	46.5 Å²	46.5	41%	0.413	24%	0.24	S	C	.	.	H	α-helix	trans	-62.4	-42.3	176.6	0	0	0	0	0	111.7	E403 D404 E405 A410 S411	E403-A407 WeakPolarHBondContact O-CB 3.14Å; E403-A407 PolarHBondContact O-N 3.29Å; D404-A407 PolarHBondContact O-N 3.05Å; E405-A407 VanDerWaalsContact C-N 3.34Å; E405-A407 PolarHBondContact O-N 3.36Å; A407-A410 PolarHBondContact O-N 2.96Å; A407-S411 PolarHBondContact O-N 3.1Å; A407-S411 VanDerWaalsContact O-N 3.09Å; A407-S411 PolarHBondContact O-OG 2.96Å
408	F	82.9	Confident	83.9	Confident	6 Å²	6	49.3 Å²	49.3	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-65.6	-41.8	177.4	178.2	-126.9	0	0	0	112.3	R355 V358 D404 E405 A406 A410 S411 L412 L448 M452	R355-F408 HydrophobicContact CB-CD1 4.23Å; R355-F408 HydrophobicContact CB-CD2 4.38Å; R355-F408 HydrophobicContact CB-CE1 3.81Å; R355-F408 HydrophobicContact CB-CE2 3.96Å; R355-F408 HydrophobicContact CB-CG 4.48Å; R355-F408 HydrophobicContact CB-CZ 3.64Å; R355-F408 HydrophobicContact CG-CB 4.44Å; R355-F408 HydrophobicContact CG-CD1 3.9Å; R355-F408 HydrophobicContact CG-CD2 3.55Å; R355-F408 HydrophobicContact CG-CE1 3.93Å; R355-F408 HydrophobicContact CG-CE2 3.56Å; R355-F408 HydrophobicContact CG-CG 3.7Å; R355-F408 HydrophobicContact CG-CZ 3.74Å; V358-F408 HydrophobicContact CB-CD1 3.84Å; V358-F408 HydrophobicContact CB-CE1 4.03Å; V358-F408 HydrophobicContact CG1-CD1 3.75Å; V358-F408 HydrophobicContact CG1-CE1 4.06Å; V358-F408 HydrophobicContact CG2-CD1 4.2Å; D404-F408 VanDerWaalsContact O-CB 3.3Å; D404-F408 WeakPolarHBondContact O-CB 3.34Å; D404-F408 PolarHBondContact O-N 3.08Å; E405-F408 PolarHBondContact O-N 2.72Å; E405-F408 VanDerWaalsContact O-N 3.15Å; A406-F408 VanDerWaalsContact C-N 3.34Å; A406-F408 PolarHBondContact O-N 2.74Å; F408-A410 PolarHBondContact O-N 3.21Å; F408-S411 CarbonylContact O-C 3.39Å; F408-S411 WeakPolarHBondContact O-CA 3.43Å; F408-S411 WeakPolarHBondContact O-CB 3.5Å; F408-S411 PolarHBondContact O-N 3.49Å; F408-L412 PolarHBondContact O-N 2.72Å; F408-L448 HydrophobicContact CE2-CD2 3.9Å; F408-M452 HydrophobicContact CE2-CE 3.89Å; F408-M452 HydrophobicContact CE2-SD 4.42Å; F408-M452 HydrophobicContact CZ-CE 3.73Å; F408-M452 HydrophobicContact CZ-SD 3.65Å
409	L	83.7	Confident	83.4	Confident	32 Å²	32	48.5 Å²	48.5	17%	0.168	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-41.2	177	-65.6	177	0	0	0	112.6	V358 M362 P369 E405 A406 S411 L412 E413	V358-L409 HydrophobicContact CG1-CD2 3.74Å; V358-L409 HydrophobicContact CG1-CG 4.31Å; M362-L409 HydrophobicContact CE-CD1 4.14Å; M362-L409 HydrophobicContact CE-CD2 3.77Å; M362-L409 HydrophobicContact SD-CD1 3.57Å; M362-L409 VanDerWaalsContact SD-CD1 3.57Å; M362-L409 HydrophobicContact SD-CD2 3.18Å; M362-L409 WeakPolarHBondContact SD-CD2 3.46Å; M362-L409 HydrophobicContact SD-CG 3.97Å; P369-L409 HydrophobicContact CB-CD1 4.08Å; E405-L409 HydrophobicContact CG-CD1 4.15Å; E405-L409 WeakPolarHBondContact O-CG 3.35Å; E405-L409 PolarHBondContact O-N 3.1Å; A406-L409 PolarHBondContact O-N 2.81Å; L409-S411 PolarHBondContact O-N 2.82Å; L409-L412 PolarHBondContact O-N 2.74Å; L409-E413 PolarHBondContact O-N 2.96Å
410	A	81.4	Confident	83.2	Confident	53 Å²	53	46.5 Å²	46.5	44%	0.438	24%	0.238	S	C	.	.	H	α-helix	trans	-61.1	-35.2	172.4	0	0	0	0	0	112.2	A406 A407 F408 R414	A406-A410 PolarHBondContact O-N 3Å; A407-A410 PolarHBondContact O-N 2.96Å; F408-A410 PolarHBondContact O-N 3.21Å; A410-R414 WeakPolarHBondContact O-CG 3.3Å; A410-R414 PolarHBondContact O-N 2.94Å; A410-R414 PolarHBondContact O-NE 3.13Å
411	S	77.9	Confident	83.1	Confident	5 Å²	5	54.6 Å²	54.6	4%	0.035	27%	0.267	C	S	.	.	H	α-helix	trans	-73.5	-38.3	175.1	-67.8	0	0	0	0	113.3	A407 F408 L409 R414 G415 D445	A407-S411 PolarHBondContact O-N 3.1Å; A407-S411 VanDerWaalsContact O-N 3.09Å; A407-S411 PolarHBondContact O-OG 2.96Å; F408-S411 CarbonylContact O-C 3.39Å; F408-S411 WeakPolarHBondContact O-CA 3.43Å; F408-S411 WeakPolarHBondContact O-CB 3.5Å; F408-S411 PolarHBondContact O-N 3.49Å; L409-S411 PolarHBondContact O-N 2.82Å; S411-R414 PolarHBondContact O-N 2.91Å; S411-R414 PolarHBondContact OG-NH2 3.29Å; S411-G415 PolarHBondContact O-N 2.91Å; S411-D445 WeakPolarHBondContact CB-O 3.06Å; S411-D445 PolarHBondContact OG-O 3.27Å
412	L	79.2	Confident	82.7	Confident	19 Å²	19	55.6 Å²	55.6	10%	0.099	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-45.2	174.8	-173.9	65	0	0	0	111.1	F408 L409 R414 G415 R416 L448 M452 M456	F408-L412 PolarHBondContact O-N 2.72Å; L409-L412 PolarHBondContact O-N 2.74Å; L412-R414 VanDerWaalsContact C-N 3.3Å; L412-R414 PolarHBondContact O-N 2.89Å; L412-G415 PolarHBondContact O-N 3.26Å; L412-G415 VanDerWaalsContact O-N 3.17Å; L412-R416 PolarHBondContact O-N 3.34Å; L412-L448 HydrophobicContact CB-CD2 4.49Å; L412-L448 HydrophobicContact CD1-CD1 4.43Å; L412-L448 HydrophobicContact CD1-CD2 4.27Å; L412-M452 HydrophobicContact CD1-CE 3.56Å; L412-M452 HydrophobicContact CD1-CG 4.49Å; L412-M452 HydrophobicContact CD1-SD 3.63Å; L412-M456 HydrophobicContact CD1-CE 4.4Å; L412-M456 HydrophobicContact CD1-SD 3.97Å
413	E	79.6	Confident	82.4	Confident	99 Å²	99	54.5 Å²	54.5	46%	0.463	27%	0.268	S	S	.	.	H	α-helix	trans	-64.1	-34.4	177.5	-175.6	54.3	-143.9	0	0	112.5	L409 R417	L409-E413 PolarHBondContact O-N 2.96Å; E413-R417 WeakPolarHBondContact O-CG 3.45Å; E413-R417 PolarHBondContact O-N 2.8Å; E413-R417 PolarHBondContact O-NE 3.15Å; E413-R417 VanDerWaalsContact O-NE 3.12Å
414	R	77.4	Confident	82.4	Confident	93 Å²	93	59.4 Å²	59.4	35%	0.351	28%	0.282	S	S	.	.	H	α-helix	trans	-69.4	-43.3	172.2	-74.6	-178.2	-70.3	-176.6	3.4	111.6	A410 S411 L412 R417 I418 L446	A410-R414 WeakPolarHBondContact O-CG 3.3Å; A410-R414 PolarHBondContact O-N 2.94Å; A410-R414 PolarHBondContact O-NE 3.13Å; S411-R414 PolarHBondContact O-N 2.91Å; S411-R414 PolarHBondContact OG-NH2 3.29Å; L412-R414 VanDerWaalsContact C-N 3.3Å; L412-R414 PolarHBondContact O-N 2.89Å; R414-R417 VanDerWaalsContact CG-NH2 3.29Å; R414-R417 PolarHBondContact O-N 2.85Å; R414-I418 WeakPolarHBondContact O-CG1 3.36Å; R414-I418 PolarHBondContact O-N 2.73Å; R414-I418 VanDerWaalsContact O-N 3.15Å; R414-L446 HydrophobicContact CB-CD2 3.41Å; R414-L446 VanDerWaalsContact CB-CD2 3.41Å; R414-L446 HydrophobicContact CG-CD2 4.45Å
415	G	78	Confident	82.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.6	-40.8	177.8	0	0	0	0	0	113.1	S411 L412 R417 I418 I419	S411-G415 PolarHBondContact O-N 2.91Å; L412-G415 PolarHBondContact O-N 3.26Å; L412-G415 VanDerWaalsContact O-N 3.17Å; G415-R417 VanDerWaalsContact C-N 3.31Å; G415-R417 PolarHBondContact O-N 3.48Å; G415-I418 PolarHBondContact O-N 2.92Å; G415-I419 WeakPolarHBondContact O-CG1 3.44Å; G415-I419 PolarHBondContact O-N 3.42Å
416	R	80.9	Confident	82	Confident	95 Å²	95	65.5 Å²	65.5	36%	0.358	32%	0.318	S	S	.	.	H	α-helix	trans	-52.2	-48.4	171.1	-82.3	-179.2	177.2	-166.4	-2.1	111.7	E363 L412 I418 I419 D420 M456	E363-R416 IonicContact OE1-NH2 2.92Å; E363-R416 PolarHBondContact OE1-NH2 3.07Å; L412-R416 PolarHBondContact O-N 3.34Å; R416-I418 VanDerWaalsContact C-N 3.32Å; R416-I418 PolarHBondContact O-N 3Å; R416-I419 PolarHBondContact O-N 3.11Å; R416-D420 WeakPolarHBondContact O-CB 3.46Å; R416-D420 VanDerWaalsContact O-CG 3.25Å; R416-D420 PolarHBondContact O-N 3.05Å; R416-M456 HydrophobicContact CB-CE 4.18Å; R416-M456 HydrophobicContact CG-CE 3.15Å
417	R	81.9	Confident	81.5	Confident	146 Å²	146	64.2 Å²	64.2	55%	0.551	31%	0.31	S	S	*	.	H	α-helix	trans	-62	-36.2	177.3	-73.9	-179.3	-79.6	163.6	-13.3	113.4	E413 R414 G415 R421	E413-R417 WeakPolarHBondContact O-CG 3.45Å; E413-R417 PolarHBondContact O-N 2.8Å; E413-R417 PolarHBondContact O-NE 3.15Å; E413-R417 VanDerWaalsContact O-NE 3.12Å; R414-R417 VanDerWaalsContact CG-NH2 3.29Å; R414-R417 PolarHBondContact O-N 2.85Å; G415-R417 VanDerWaalsContact C-N 3.31Å; G415-R417 PolarHBondContact O-N 3.48Å; R417-R421 VanDerWaalsContact O-CB 3.27Å; R417-R421 WeakPolarHBondContact O-CB 3.33Å; R417-R421 PolarHBondContact O-N 2.94Å
418	I	80.5	Confident	81	Confident	60 Å²	60	68.7 Å²	68.7	31%	0.308	34%	0.336	S	S	.	.	H	α-helix	trans	-70.7	-45.3	177.2	-66.6	165.2	0	0	0	110.4	R414 G415 R416 R421 T422 V436 L440 L446	R414-I418 WeakPolarHBondContact O-CG1 3.36Å; R414-I418 PolarHBondContact O-N 2.73Å; R414-I418 VanDerWaalsContact O-N 3.15Å; G415-I418 PolarHBondContact O-N 2.92Å; R416-I418 VanDerWaalsContact C-N 3.32Å; R416-I418 PolarHBondContact O-N 3Å; I418-R421 PolarHBondContact O-N 3.19Å; I418-T422 WeakPolarHBondContact O-CB 3.42Å; I418-T422 PolarHBondContact O-N 2.93Å; I418-T422 PolarHBondContact O-OG1 3.45Å; I418-V436 HydrophobicContact CG2-CG1 4.14Å; I418-L440 HydrophobicContact CB-CD2 4.02Å; I418-L440 HydrophobicContact CD1-CD2 3.74Å; I418-L440 HydrophobicContact CG1-CD2 4.5Å; I418-L440 HydrophobicContact CG2-CD1 4.33Å; I418-L440 HydrophobicContact CG2-CD2 3.91Å; I418-L440 HydrophobicContact CG2-CG 4.35Å; I418-L446 HydrophobicContact CD1-CD1 3.54Å
419	I	82.8	Confident	80.5	Confident	0 Å²	0	74 Å²	74	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-57.9	-53	175	-70	165.5	0	0	0	109.2	G415 R416 R421 T422 L423 F432 L440 V453 M456 L457	G415-I419 WeakPolarHBondContact O-CG1 3.44Å; G415-I419 PolarHBondContact O-N 3.42Å; R416-I419 PolarHBondContact O-N 3.11Å; I419-R421 VanDerWaalsContact C-N 3.27Å; I419-R421 PolarHBondContact O-N 3.42Å; I419-T422 WeakPolarHBondContact O-CB 3.36Å; I419-T422 PolarHBondContact O-N 3.38Å; I419-L423 HydrophobicContact CG2-CD1 3.77Å; I419-L423 HydrophobicContact CG2-CG 4.14Å; I419-L423 VanDerWaalsContact O-CG 3.3Å; I419-L423 WeakPolarHBondContact O-CG 3.5Å; I419-L423 PolarHBondContact O-N 3.25Å; I419-F432 HydrophobicContact CB-CE2 4.42Å; I419-F432 HydrophobicContact CB-CZ 4.48Å; I419-F432 HydrophobicContact CG1-CE2 4.38Å; I419-F432 HydrophobicContact CG1-CZ 4.02Å; I419-F432 HydrophobicContact CG2-CE2 4.11Å; I419-L440 HydrophobicContact CD1-CD1 4.21Å; I419-L440 HydrophobicContact CG1-CD1 3.74Å; I419-V453 HydrophobicContact CD1-CG1 4.34Å; I419-M456 HydrophobicContact CD1-CB 4.25Å; I419-M456 HydrophobicContact CD1-CE 3.58Å; I419-M456 HydrophobicContact CD1-SD 4.05Å; I419-L457 HydrophobicContact CG2-CD2 3.81Å
420	D	83.6	Confident	80.4	Confident	50 Å²	50	76.8 Å²	76.8	27%	0.267	39%	0.388	S	S	.	.	H	α-helix	trans	-58.3	-37.7	179.5	-74.2	-20.3	0	0	0	113.5	R416 R424 K460	R416-D420 WeakPolarHBondContact O-CB 3.46Å; R416-D420 VanDerWaalsContact O-CG 3.25Å; R416-D420 PolarHBondContact O-N 3.05Å; D420-R424 VanDerWaalsContact O-CG 3.31Å; D420-R424 WeakPolarHBondContact O-CG 3.34Å; D420-R424 PolarHBondContact O-N 3.42Å; D420-R424 PolarHBondContact O-NE 2.97Å; D420-K460 IonicContact OD1-NZ 2.74Å; D420-K460 PolarHBondContact OD1-NZ 3.26Å
421	R	83.8	Confident	80.7	Confident	193 Å²	193	78.5 Å²	78.5	73%	0.728	39%	0.388	S	S	*	.	H	α-helix	trans	-68.6	-41.3	176.7	-172.5	179.6	-164.9	163.2	4.5	111.5	R417 I418 I419 R424	R417-R421 VanDerWaalsContact O-CB 3.27Å; R417-R421 WeakPolarHBondContact O-CB 3.33Å; R417-R421 PolarHBondContact O-N 2.94Å; I418-R421 PolarHBondContact O-N 3.19Å; I419-R421 VanDerWaalsContact C-N 3.27Å; I419-R421 PolarHBondContact O-N 3.42Å; R421-R424 PolarHBondContact O-N 2.73Å
422	T	82.9	Confident	81.2	Confident	20 Å²	20	78.2 Å²	78.2	12%	0.123	39%	0.386	C	S	.	.	H	α-helix	trans	-66.8	-44.9	179	-51.7	0	0	0	0	110	I418 I419 R424 T425 L426 F432 P433 V436	I418-T422 WeakPolarHBondContact O-CB 3.42Å; I418-T422 PolarHBondContact O-N 2.93Å; I418-T422 PolarHBondContact O-OG1 3.45Å; I419-T422 WeakPolarHBondContact O-CB 3.36Å; I419-T422 PolarHBondContact O-N 3.38Å; T422-R424 VanDerWaalsContact C-N 3.28Å; T422-R424 PolarHBondContact O-N 3.26Å; T422-T425 PolarHBondContact O-N 3.31Å; T422-T425 PolarHBondContact O-OG1 2.92Å; T422-L426 HydrophobicContact CG2-CD1 4.39Å; T422-L426 WeakPolarHBondContact O-CG 3.08Å; T422-L426 PolarHBondContact O-N 3.33Å; T422-F432 HydrophobicContact CG2-CD2 4.25Å; T422-F432 HydrophobicContact CG2-CE2 3.71Å; T422-F432 HydrophobicContact CG2-CZ 3.99Å; T422-P433 HydrophobicContact CG2-CG 4.27Å; T422-V436 HydrophobicContact CG2-CG1 4.38Å; T422-V436 HydrophobicContact CG2-CG2 4.4Å
423	L	85.6	Confident	81.5	Confident	37 Å²	37	79 Å²	79	19%	0.194	39%	0.393	C	S	.	.	H	α-helix	trans	-59.2	-35.5	176.4	-68.1	179.3	0	0	0	113	I419 T425 L426 F432 L457 K460 V462	I419-L423 HydrophobicContact CG2-CD1 3.77Å; I419-L423 HydrophobicContact CG2-CG 4.14Å; I419-L423 VanDerWaalsContact O-CG 3.3Å; I419-L423 WeakPolarHBondContact O-CG 3.5Å; I419-L423 PolarHBondContact O-N 3.25Å; L423-T425 PolarHBondContact O-N 3.15Å; L423-L426 HydrophobicContact CD2-CD1 4.06Å; L423-L426 PolarHBondContact O-N 2.9Å; L423-F432 HydrophobicContact CD2-CD2 3.85Å; L423-F432 HydrophobicContact CD2-CE2 4.28Å; L423-F432 HydrophobicContact CG-CD2 4.46Å; L423-F432 HydrophobicContact CG-CE2 4.4Å; L423-L457 HydrophobicContact CD2-CD2 4.23Å; L423-K460 HydrophobicContact CD1-CB 4.32Å; L423-K460 HydrophobicContact CD1-CD 3.33Å; L423-K460 HydrophobicContact CD1-CG 4.44Å; L423-V462 HydrophobicContact CD2-CB 4.14Å; L423-V462 HydrophobicContact CD2-CG1 3.89Å; L423-V462 HydrophobicContact CD2-CG2 3.78Å
424	R	85.8	Confident	81.8	Confident	207 Å²	207	74.3 Å²	74.3	78%	0.781	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.3	174.5	-73.9	178.3	-135.6	-163.1	-0.3	114.2	D420 R421 T422	D420-R424 VanDerWaalsContact O-CG 3.31Å; D420-R424 WeakPolarHBondContact O-CG 3.34Å; D420-R424 PolarHBondContact O-N 3.42Å; D420-R424 PolarHBondContact O-NE 2.97Å; R421-R424 PolarHBondContact O-N 2.73Å; T422-R424 VanDerWaalsContact C-N 3.28Å; T422-R424 PolarHBondContact O-N 3.26Å
425	T	82.5	Confident	81.9	Confident	110 Å²	110	74.6 Å²	74.6	68%	0.675	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-8.5	-179.3	54.4	0	0	0	0	113.4	T422 L423	T422-T425 PolarHBondContact O-N 3.31Å; T422-T425 PolarHBondContact O-OG1 2.92Å; L423-T425 PolarHBondContact O-N 3.15Å
426	L	82.2	Confident	82.1	Confident	42 Å²	42	76.5 Å²	76.5	22%	0.22	39%	0.388	C	S	.	.	S	Bend	trans	-88.3	145.5	179.1	-67.9	174.2	0	0	0	111.1	T422 L423 D430 F432 P433	T422-L426 HydrophobicContact CG2-CD1 4.39Å; T422-L426 WeakPolarHBondContact O-CG 3.08Å; T422-L426 PolarHBondContact O-N 3.33Å; L423-L426 HydrophobicContact CD2-CD1 4.06Å; L423-L426 PolarHBondContact O-N 2.9Å; L426-D430 HydrophobicContact CB-CB 4.08Å; L426-D430 HydrophobicContact CD2-CB 3.91Å; L426-D430 HydrophobicContact CG-CB 4.48Å; L426-F432 HydrophobicContact CD1-CD2 4.21Å; L426-P433 HydrophobicContact CD2-CG 4.18Å
427	G	77.8	Confident	82	Confident	31 Å²	31	72 Å²	72	32%	0.32	37%	0.371	S	S	.	.			trans	-74.7	171.7	169.3	0	0	0	0	0	112.9	S429 D430	G427-S429 PolarHBondContact O-N 2.72Å; G427-S429 VanDerWaalsContact O-N 3.12Å; G427-D430 WeakPolarHBondContact CA-OD2 3.33Å; G427-D430 PolarHBondContact N-OD2 2.88Å; G427-D430 PolarHBondContact O-N 2.64Å
428	P	71.1	Confident	81.7	Confident	145 Å²	145	67.2 Å²	67.2	94%	0.942	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.9	-173.5	-23.2	34.9	0	0	0	115.5
429	S	72.9	Confident	81.3	Confident	116 Å²	116	67.1 Å²	67.1	81%	0.811	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	7.4	-177	-53.7	0	0	0	0	112.8	G427	G427-S429 PolarHBondContact O-N 2.72Å; G427-S429 VanDerWaalsContact O-N 3.12Å
430	D	81.6	Confident	80.8	Confident	92 Å²	92	67.2 Å²	67.2	49%	0.492	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-82.7	134.5	-177.1	-65.7	-15.8	0	0	0	110.1	L426 G427	L426-D430 HydrophobicContact CB-CB 4.08Å; L426-D430 HydrophobicContact CD2-CB 3.91Å; L426-D430 HydrophobicContact CG-CB 4.48Å; G427-D430 WeakPolarHBondContact CA-OD2 3.33Å; G427-D430 PolarHBondContact N-OD2 2.88Å; G427-D430 PolarHBondContact O-N 2.64Å
431	M	87.3	Confident	79.9	Confident	88 Å²	88	66.3 Å²	66.3	43%	0.433	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-73.4	153.3	171.7	-62.3	-179.6	77.3	0	0	110.3	Q463 L464 D465	M431-Q463 WeakPolarHBondContact CA-O 3.4Å; M431-Q463 HydrophobicContact CE-CB 4.25Å; M431-L464 WeakPolarHBondContact CE-O 3.45Å; M431-D465 HydrophobicContact CB-CB 4.35Å
432	F	88.2	Confident	78.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-66	127.7	173.8	-165.6	-89.9	0	0	0	110	I419 T422 L423 L426 A434 V436 A437 L457 V462 Q463 L464 D465	I419-F432 HydrophobicContact CB-CE2 4.42Å; I419-F432 HydrophobicContact CB-CZ 4.48Å; I419-F432 HydrophobicContact CG1-CE2 4.38Å; I419-F432 HydrophobicContact CG1-CZ 4.02Å; I419-F432 HydrophobicContact CG2-CE2 4.11Å; T422-F432 HydrophobicContact CG2-CD2 4.25Å; T422-F432 HydrophobicContact CG2-CE2 3.71Å; T422-F432 HydrophobicContact CG2-CZ 3.99Å; L423-F432 HydrophobicContact CD2-CD2 3.85Å; L423-F432 HydrophobicContact CD2-CE2 4.28Å; L423-F432 HydrophobicContact CG-CD2 4.46Å; L423-F432 HydrophobicContact CG-CE2 4.4Å; L426-F432 HydrophobicContact CD1-CD2 4.21Å; F432-A434 PolarHBondContact O-N 3.14Å; F432-V436 HydrophobicContact CE1-CB 3.92Å; F432-V436 HydrophobicContact CE1-CG1 3.8Å; F432-V436 HydrophobicContact CZ-CB 4.32Å; F432-V436 HydrophobicContact CZ-CG1 3.76Å; F432-A437 HydrophobicContact CD1-CB 4.2Å; F432-A437 HydrophobicContact CE1-CB 4.15Å; F432-L457 HydrophobicContact CB-CD1 3.7Å; F432-L457 HydrophobicContact CB-CD2 4.06Å; F432-L457 HydrophobicContact CD1-CD1 3.8Å; F432-L457 HydrophobicContact CD1-CD2 4.37Å; F432-L457 HydrophobicContact CD2-CD1 4.16Å; F432-L457 HydrophobicContact CD2-CD2 3.28Å; F432-L457 HydrophobicContact CD2-CG 4.37Å; F432-L457 HydrophobicContact CE1-CD1 4.45Å; F432-L457 HydrophobicContact CE2-CD2 3.69Å; F432-L457 HydrophobicContact CG-CD1 3.61Å; F432-L457 HydrophobicContact CG-CD2 3.65Å; F432-L457 HydrophobicContact CG-CG 4.3Å; F432-L457 HydrophobicContact CZ-CD2 4.39Å; F432-V462 HydrophobicContact CB-CG1 4.13Å; F432-Q463 PolarHBondContact N-O 3.27Å; F432-L464 HydrophobicContact CB-CD1 4.19Å; F432-L464 HydrophobicContact CD1-CD1 3.86Å; F432-L464 HydrophobicContact CG-CD1 4.49Å; F432-D465 WeakPolarHBondContact O-CB 3.35Å; F432-D465 PolarHBondContact O-N 2.75Å; F432-D465 VanDerWaalsContact O-N 3.08Å
433	P	86.4	Confident	77	Confident	35 Å²	35	63 Å²	63	23%	0.227	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-62.1	129.9	-173.7	-24.6	33.2	0	0	0	113.5	T422 L426 E435 V436 A437	T422-P433 HydrophobicContact CG2-CG 4.27Å; L426-P433 HydrophobicContact CD2-CG 4.18Å; P433-E435 VanDerWaalsContact C-N 3.29Å; P433-E435 PolarHBondContact O-N 3.39Å; P433-V436 HydrophobicContact CB-CB 4.33Å; P433-V436 HydrophobicContact CB-CG2 3.97Å; P433-V436 HydrophobicContact CG-CG2 4.36Å; P433-V436 PolarHBondContact O-N 2.49Å; P433-V436 VanDerWaalsContact O-N 3.17Å; P433-A437 PolarHBondContact O-N 3.01Å; P433-A437 VanDerWaalsContact O-N 3.16Å
434	A	84.1	Confident	75.5	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-58.4	-38.9	178.2	0	0	0	0	0	112.4	F432 V436 A437 W438 D465 L469 L472	F432-A434 PolarHBondContact O-N 3.14Å; A434-V436 VanDerWaalsContact C-N 3.28Å; A434-V436 PolarHBondContact O-N 3.15Å; A434-A437 PolarHBondContact O-N 3.08Å; A434-W438 WeakPolarHBondContact O-CB 3.46Å; A434-W438 PolarHBondContact O-N 2.85Å; A434-D465 HydrophobicContact CB-CB 4.12Å; A434-L469 HydrophobicContact CB-CB 4.45Å; A434-L472 HydrophobicContact CB-CD1 4.08Å
435	E	81.2	Confident	73.3	Confident	99 Å²	99	58.9 Å²	58.9	46%	0.463	36%	0.356	S	S	.	.	H	α-helix	trans	-64.3	-34.1	-179.8	-63.2	74.8	-164.8	0	0	112.1	P433 S439 R471 L472	P433-E435 VanDerWaalsContact C-N 3.29Å; P433-E435 PolarHBondContact O-N 3.39Å; E435-S439 WeakPolarHBondContact O-CB 3.39Å; E435-S439 PolarHBondContact O-N 3.28Å; E435-R471 IonicContact OE1-NH2 3.01Å; E435-R471 PolarHBondContact OE1-NH2 3.12Å; E435-L472 HydrophobicContact CG-CD1 4.24Å
436	V	80.6	Confident	72.1	Confident	41 Å²	41	55 Å²	55	25%	0.248	33%	0.331	C	S	.	.	H	α-helix	trans	-74.2	-44.6	178.2	180	0	0	0	0	109.9	I418 T422 F432 P433 A434 S439 L440	I418-V436 HydrophobicContact CG2-CG1 4.14Å; T422-V436 HydrophobicContact CG2-CG1 4.38Å; T422-V436 HydrophobicContact CG2-CG2 4.4Å; F432-V436 HydrophobicContact CE1-CB 3.92Å; F432-V436 HydrophobicContact CE1-CG1 3.8Å; F432-V436 HydrophobicContact CZ-CB 4.32Å; F432-V436 HydrophobicContact CZ-CG1 3.76Å; P433-V436 HydrophobicContact CB-CB 4.33Å; P433-V436 HydrophobicContact CB-CG2 3.97Å; P433-V436 HydrophobicContact CG-CG2 4.36Å; P433-V436 PolarHBondContact O-N 2.49Å; P433-V436 VanDerWaalsContact O-N 3.17Å; A434-V436 VanDerWaalsContact C-N 3.28Å; A434-V436 PolarHBondContact O-N 3.15Å; V436-S439 PolarHBondContact O-N 3.1Å; V436-L440 HydrophobicContact CG1-CD1 4.35Å; V436-L440 VanDerWaalsContact O-CG 3.3Å; V436-L440 WeakPolarHBondContact O-CG 3.37Å; V436-L440 PolarHBondContact O-N 3.4Å
437	A	78.8	Confident	71.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.5	-43.1	175.2	0	0	0	0	0	112	F432 P433 A434 S439 L440 S441 L450 V453 L464 L469	F432-A437 HydrophobicContact CD1-CB 4.2Å; F432-A437 HydrophobicContact CE1-CB 4.15Å; P433-A437 PolarHBondContact O-N 3.01Å; P433-A437 VanDerWaalsContact O-N 3.16Å; A434-A437 PolarHBondContact O-N 3.08Å; A437-S439 VanDerWaalsContact C-N 3.35Å; A437-S439 PolarHBondContact O-N 2.79Å; A437-L440 WeakPolarHBondContact O-CB 3.44Å; A437-L440 PolarHBondContact O-N 3.36Å; A437-S441 WeakPolarHBondContact O-CB 3.35Å; A437-S441 PolarHBondContact O-N 3.39Å; A437-L450 HydrophobicContact CB-CD2 4.45Å; A437-V453 HydrophobicContact CB-CG1 4.11Å; A437-L464 HydrophobicContact CB-CD1 3.46Å; A437-L464 VanDerWaalsContact CB-CD1 3.46Å; A437-L464 HydrophobicContact CB-CD2 4.3Å; A437-L469 HydrophobicContact CB-CD1 4.18Å
438	W	75.8	Confident	70.7	Confident	45 Å²	45	51.8 Å²	51.8	17%	0.17	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-43.4	173.7	-168.4	-112.7	0	0	0	111.6	A434 S441 L442 L450 L469 L472 A473 A476	A434-W438 WeakPolarHBondContact O-CB 3.46Å; A434-W438 PolarHBondContact O-N 2.85Å; W438-S441 PolarHBondContact O-N 3.46Å; W438-L442 HydrophobicContact CD2-CD1 4.06Å; W438-L442 HydrophobicContact CD2-CG 4.13Å; W438-L442 HydrophobicContact CG-CD1 4.32Å; W438-L442 HydrophobicContact CG-CG 4.43Å; W438-L442 HydrophobicContact CH2-CD1 4.43Å; W438-L442 HydrophobicContact CH2-CD2 4.47Å; W438-L442 HydrophobicContact CZ2-CD1 3.47Å; W438-L442 VanDerWaalsContact CZ2-CD1 3.47Å; W438-L442 HydrophobicContact CZ2-CD2 4.22Å; W438-L442 HydrophobicContact CZ2-CG 3.99Å; W438-L442 WeakPolarHBondContact O-CB 3.48Å; W438-L442 PolarHBondContact O-N 3.29Å; W438-L450 HydrophobicContact CE3-CD1 4.44Å; W438-L450 HydrophobicContact CZ3-CD1 4.26Å; W438-L469 HydrophobicContact CB-CD1 4.24Å; W438-L469 HydrophobicContact CE3-CD1 3.89Å; W438-L469 HydrophobicContact CE3-CG 4.32Å; W438-L472 HydrophobicContact CB-CD1 3.66Å; W438-L472 HydrophobicContact CD2-CB 3.77Å; W438-L472 HydrophobicContact CD2-CD1 4.42Å; W438-L472 HydrophobicContact CE3-CB 4.24Å; W438-L472 HydrophobicContact CG-CB 3.93Å; W438-L472 HydrophobicContact CG-CD1 3.78Å; W438-L472 HydrophobicContact CG-CG 4.4Å; W438-L472 HydrophobicContact CZ2-CB 4.46Å; W438-L472 WeakPolarHBondContact CZ2-O 3.29Å; W438-A473 HydrophobicContact CH2-CB 3.64Å; W438-A473 HydrophobicContact CZ3-CB 3.76Å; W438-A476 HydrophobicContact CH2-CB 4.41Å; W438-A476 HydrophobicContact CZ2-CB 3.61Å
439	S	72.6	Confident	70.4	Confident	58 Å²	58	46.1 Å²	46.1	41%	0.406	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-42.3	173.8	-179.9	0	0	0	0	112.1	E435 V436 A437 S441 S443	E435-S439 WeakPolarHBondContact O-CB 3.39Å; E435-S439 PolarHBondContact O-N 3.28Å; V436-S439 PolarHBondContact O-N 3.1Å; A437-S439 VanDerWaalsContact C-N 3.35Å; A437-S439 PolarHBondContact O-N 2.79Å; S439-S441 VanDerWaalsContact C-N 3.25Å; S439-S441 PolarHBondContact O-N 2.93Å; S439-S443 WeakPolarHBondContact O-CA 3.46Å; S439-S443 WeakPolarHBondContact O-CB 3.28Å; S439-S443 PolarHBondContact O-N 3.28Å; S439-S443 PolarHBondContact O-OG 2.72Å; S439-S443 PolarHBondContact OG-OG 3.06Å; S439-S443 VanDerWaalsContact OG-OG 3.14Å
440	L	73	Confident	70.3	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-34.1	174.9	-72.6	170	0	0	0	112.3	I418 I419 V436 A437 L446 G447 L448 V453	I418-L440 HydrophobicContact CB-CD2 4.02Å; I418-L440 HydrophobicContact CD1-CD2 3.74Å; I418-L440 HydrophobicContact CG1-CD2 4.5Å; I418-L440 HydrophobicContact CG2-CD1 4.33Å; I418-L440 HydrophobicContact CG2-CD2 3.91Å; I418-L440 HydrophobicContact CG2-CG 4.35Å; I419-L440 HydrophobicContact CD1-CD1 4.21Å; I419-L440 HydrophobicContact CG1-CD1 3.74Å; V436-L440 HydrophobicContact CG1-CD1 4.35Å; V436-L440 VanDerWaalsContact O-CG 3.3Å; V436-L440 WeakPolarHBondContact O-CG 3.37Å; V436-L440 PolarHBondContact O-N 3.4Å; A437-L440 WeakPolarHBondContact O-CB 3.44Å; A437-L440 PolarHBondContact O-N 3.36Å; L440-L446 HydrophobicContact CD2-CD1 4.16Å; L440-G447 CarbonylContact O-C 3.53Å; L440-G447 WeakPolarHBondContact O-CA 3.48Å; L440-G447 PolarHBondContact O-N 3.09Å; L440-L448 PolarHBondContact O-N 3.3Å; L440-V453 HydrophobicContact CB-CG2 4.27Å; L440-V453 HydrophobicContact CD1-CG1 4.44Å
441	S	64.5	Low	69.4	Low	31 Å²	31	41.7 Å²	41.7	22%	0.217	24%	0.239	C	C	.	.	H	α-helix	trans	-78.4	-42.2	178.9	-173	0	0	0	0	114.3	A437 W438 S439 G447 L448 L450	A437-S441 WeakPolarHBondContact O-CB 3.35Å; A437-S441 PolarHBondContact O-N 3.39Å; W438-S441 PolarHBondContact O-N 3.46Å; S439-S441 VanDerWaalsContact C-N 3.25Å; S439-S441 PolarHBondContact O-N 2.93Å; S441-G447 WeakPolarHBondContact O-CA 3.4Å; S441-L448 VanDerWaalsContact CA-O 3.29Å; S441-L448 WeakPolarHBondContact CA-O 3.47Å; S441-L450 WeakPolarHBondContact OG-CG 3.49Å
442	L	57	Low	68.5	Low	96 Å²	96	37.6 Å²	37.6	50%	0.503	22%	0.219	S	C	.	.	H	α-helix	trans	-94.4	-22.8	-174.6	-70.3	-163.3	0	0	0	114.8	W438 G444	W438-L442 HydrophobicContact CD2-CD1 4.06Å; W438-L442 HydrophobicContact CD2-CG 4.13Å; W438-L442 HydrophobicContact CG-CD1 4.32Å; W438-L442 HydrophobicContact CG-CG 4.43Å; W438-L442 HydrophobicContact CH2-CD1 4.43Å; W438-L442 HydrophobicContact CH2-CD2 4.47Å; W438-L442 HydrophobicContact CZ2-CD1 3.47Å; W438-L442 VanDerWaalsContact CZ2-CD1 3.47Å; W438-L442 HydrophobicContact CZ2-CD2 4.22Å; W438-L442 HydrophobicContact CZ2-CG 3.99Å; W438-L442 WeakPolarHBondContact O-CB 3.48Å; W438-L442 PolarHBondContact O-N 3.29Å; L442-G444 PolarHBondContact O-N 3.14Å
443	S	47.7	Very low	67.8	Low	48 Å²	48	37.6 Å²	37.6	34%	0.336	22%	0.219	S	C	.	.	S	Bend	trans	-72.5	99.2	-174.8	-65.2	0	0	0	0	111.1	S439 D445 L446 G447	S439-S443 WeakPolarHBondContact O-CA 3.46Å; S439-S443 WeakPolarHBondContact O-CB 3.28Å; S439-S443 PolarHBondContact O-N 3.28Å; S439-S443 PolarHBondContact O-OG 2.72Å; S439-S443 PolarHBondContact OG-OG 3.06Å; S439-S443 VanDerWaalsContact OG-OG 3.14Å; S443-D445 PolarHBondContact O-N 3.22Å; S443-D445 VanDerWaalsContact O-N 3.1Å; S443-L446 PolarHBondContact O-N 2.82Å; S443-G447 PolarHBondContact O-N 2.85Å
444	G	53.8	Low	67.2	Low	35 Å²	35	39.2 Å²	39.2	36%	0.361	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	22.4	-100.2	161.5	0	0	0	0	0	115.8	L442 L446	L442-G444 PolarHBondContact O-N 3.14Å; G444-L446 VanDerWaalsContact C-N 3.34Å; G444-L446 PolarHBondContact O-N 3.17Å
445	D	40.3	Very low	66.5	Low	122 Å²	122	40.9 Å²	40.9	65%	0.652	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.1	-172.9	-68.2	-18.2	0	0	0	114.9	S411 S443	S411-D445 WeakPolarHBondContact CB-O 3.06Å; S411-D445 PolarHBondContact OG-O 3.27Å; S443-D445 PolarHBondContact O-N 3.22Å; S443-D445 VanDerWaalsContact O-N 3.1Å
446	L	58.2	Low	66.2	Low	28 Å²	28	36.4 Å²	36.4	15%	0.147	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-55.6	-179.1	-68	169.4	0	0	0	110.9	R355 R414 I418 L440 S443 G444 L448	R355-L446 PolarHBondContact NH2-O 2.99Å; R414-L446 HydrophobicContact CB-CD2 3.41Å; R414-L446 VanDerWaalsContact CB-CD2 3.41Å; R414-L446 HydrophobicContact CG-CD2 4.45Å; I418-L446 HydrophobicContact CD1-CD1 3.54Å; L440-L446 HydrophobicContact CD2-CD1 4.16Å; S443-L446 PolarHBondContact O-N 2.82Å; G444-L446 VanDerWaalsContact C-N 3.34Å; G444-L446 PolarHBondContact O-N 3.17Å; L446-L448 WeakPolarHBondContact O-CD2 3.5Å; L446-L448 PolarHBondContact O-N 3.44Å
447	G	61.5	Low	66.2	Low	6 Å²	6	34.5 Å²	34.5	6%	0.062	20%	0.199	C	C	.	.			trans	39.3	40.5	173.9	0	0	0	0	0	115.8	R355 L440 S441 S443 P449	R355-G447 PolarHBondContact NH1-O 3.46Å; R355-G447 PolarHBondContact NH2-O 2.8Å; R355-G447 VanDerWaalsContact NH2-O 3.13Å; L440-G447 CarbonylContact O-C 3.53Å; L440-G447 WeakPolarHBondContact O-CA 3.48Å; L440-G447 PolarHBondContact O-N 3.09Å; S441-G447 WeakPolarHBondContact O-CA 3.4Å; S443-G447 PolarHBondContact O-N 2.85Å; G447-P449 WeakPolarHBondContact O-CD 3.42Å
448	L	67.7	Low	66.1	Low	0 Å²	0	41 Å²	41	0%	0	23%	0.23	C	C	.	.			trans	-70.4	127	-177.6	-62.4	-172.6	0	0	0	109.5	F408 L412 L440 S441 L446 L450 M452 V453	F408-L448 HydrophobicContact CE2-CD2 3.9Å; L412-L448 HydrophobicContact CB-CD2 4.49Å; L412-L448 HydrophobicContact CD1-CD1 4.43Å; L412-L448 HydrophobicContact CD1-CD2 4.27Å; L440-L448 PolarHBondContact O-N 3.3Å; S441-L448 VanDerWaalsContact CA-O 3.29Å; S441-L448 WeakPolarHBondContact CA-O 3.47Å; L446-L448 WeakPolarHBondContact O-CD2 3.5Å; L446-L448 PolarHBondContact O-N 3.44Å; L448-L450 PolarHBondContact O-N 3.05Å; L448-M452 HydrophobicContact CB-CE 3.44Å; L448-M452 VanDerWaalsContact CB-CE 3.44Å; L448-M452 HydrophobicContact CD1-CE 3.99Å; L448-M452 HydrophobicContact CD2-CE 3.34Å; L448-M452 HydrophobicContact CG-CE 3.72Å; L448-V453 HydrophobicContact CB-CG2 3.99Å
449	P	66.1	Low	66	Low	26 Å²	26	45.1 Å²	45.1	17%	0.169	25%	0.251	C	S	.	.			trans	-51.5	138.6	173.5	-29.3	37.5	0	0	0	111.8	R355 G447 D451 M452 V453	R355-P449 HydrophobicContact CB-CG 4.36Å; G447-P449 WeakPolarHBondContact O-CD 3.42Å; P449-D451 VanDerWaalsContact C-N 3.31Å; P449-D451 WeakPolarHBondContact CB-OD1 3.44Å; P449-D451 PolarHBondContact O-N 2.66Å; P449-M452 HydrophobicContact CB-CB 4.37Å; P449-M452 WeakPolarHBondContact O-CB 3.41Å; P449-M452 PolarHBondContact O-N 2.96Å; P449-V453 PolarHBondContact O-N 2.93Å; P449-V453 VanDerWaalsContact O-N 3.11Å
450	L	69.6	Low	66.2	Low	40 Å²	40	47 Å²	47	21%	0.209	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-38.9	-173.7	-76.9	166	0	0	0	112	A437 W438 S441 L448 M452 V453 E454 L469	A437-L450 HydrophobicContact CB-CD2 4.45Å; W438-L450 HydrophobicContact CE3-CD1 4.44Å; W438-L450 HydrophobicContact CZ3-CD1 4.26Å; S441-L450 WeakPolarHBondContact OG-CG 3.49Å; L448-L450 PolarHBondContact O-N 3.05Å; L450-M452 PolarHBondContact O-N 2.81Å; L450-V453 CarbonylContact O-C 3.56Å; L450-V453 WeakPolarHBondContact O-CA 3.38Å; L450-V453 WeakPolarHBondContact O-CB 3.46Å; L450-V453 PolarHBondContact O-N 3.21Å; L450-E454 WeakPolarHBondContact O-CG 3.35Å; L450-E454 PolarHBondContact O-N 2.94Å; L450-L469 HydrophobicContact CD1-CD1 4.41Å; L450-L469 HydrophobicContact CD1-CD2 3.9Å; L450-L469 HydrophobicContact CD1-CG 4.32Å; L450-L469 HydrophobicContact CD2-CD1 3.8Å; L450-L469 HydrophobicContact CD2-CD2 4.05Å; L450-L469 HydrophobicContact CD2-CG 4.44Å; L450-L469 HydrophobicContact CG-CD2 4.41Å
451	D	62.8	Low	66.5	Low	75 Å²	75	50.3 Å²	50.3	40%	0.401	29%	0.287	S	S	.	.	H	α-helix	trans	-56.7	-31.7	173.1	65	-56.3	0	0	0	112.7	R359 P449 L455	R359-D451 IonicContact NH1-OD2 3.81Å; R359-D451 PolarHBondContact NH1-OD2 3.36Å; P449-D451 VanDerWaalsContact C-N 3.31Å; P449-D451 WeakPolarHBondContact CB-OD1 3.44Å; P449-D451 PolarHBondContact O-N 2.66Å; D451-L455 WeakPolarHBondContact O-CB 3.02Å; D451-L455 PolarHBondContact O-N 2.96Å; D451-L455 VanDerWaalsContact O-N 3.07Å
452	M	67.9	Low	67.5	Low	3 Å²	3	50.4 Å²	50.4	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-78.9	-38.4	175.7	-175.1	177.3	70	0	0	111.4	F408 L412 L448 P449 L450 E454 L455 M456	F408-M452 HydrophobicContact CE2-CE 3.89Å; F408-M452 HydrophobicContact CE2-SD 4.42Å; F408-M452 HydrophobicContact CZ-CE 3.73Å; F408-M452 HydrophobicContact CZ-SD 3.65Å; L412-M452 HydrophobicContact CD1-CE 3.56Å; L412-M452 HydrophobicContact CD1-CG 4.49Å; L412-M452 HydrophobicContact CD1-SD 3.63Å; L448-M452 HydrophobicContact CB-CE 3.44Å; L448-M452 VanDerWaalsContact CB-CE 3.44Å; L448-M452 HydrophobicContact CD1-CE 3.99Å; L448-M452 HydrophobicContact CD2-CE 3.34Å; L448-M452 HydrophobicContact CG-CE 3.72Å; P449-M452 HydrophobicContact CB-CB 4.37Å; P449-M452 WeakPolarHBondContact O-CB 3.41Å; P449-M452 PolarHBondContact O-N 2.96Å; L450-M452 PolarHBondContact O-N 2.81Å; M452-E454 VanDerWaalsContact C-N 3.33Å; M452-L455 PolarHBondContact O-N 3.11Å; M452-M456 HydrophobicContact CG-SD 4.08Å; M452-M456 WeakPolarHBondContact O-CB 3.47Å; M452-M456 WeakPolarHBondContact O-CG 3.22Å; M452-M456 PolarHBondContact O-N 3.3Å
453	V	75.2	Confident	68.9	Low	0 Å²	0	53 Å²	53	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-46	172.4	177.9	0	0	0	0	109.9	I419 A437 L440 L448 P449 L450 M456 L457	I419-V453 HydrophobicContact CD1-CG1 4.34Å; A437-V453 HydrophobicContact CB-CG1 4.11Å; L440-V453 HydrophobicContact CB-CG2 4.27Å; L440-V453 HydrophobicContact CD1-CG1 4.44Å; L448-V453 HydrophobicContact CB-CG2 3.99Å; P449-V453 PolarHBondContact O-N 2.93Å; P449-V453 VanDerWaalsContact O-N 3.11Å; L450-V453 CarbonylContact O-C 3.56Å; L450-V453 WeakPolarHBondContact O-CA 3.38Å; L450-V453 WeakPolarHBondContact O-CB 3.46Å; L450-V453 PolarHBondContact O-N 3.21Å; V453-M456 PolarHBondContact O-N 2.99Å; V453-L457 HydrophobicContact CG1-CD1 4.01Å; V453-L457 WeakPolarHBondContact O-CG 3.44Å; V453-L457 PolarHBondContact O-N 3.32Å; V453-L457 VanDerWaalsContact O-N 3.1Å
454	E	73.9	Confident	70.7	Confident	68 Å²	68	51.3 Å²	51.3	32%	0.318	28%	0.282	S	S	.	.	H	α-helix	trans	-55.6	-52.1	175	-75.6	168	-167.6	0	0	111.6	L450 M452 M456 L457 E458 L464	L450-E454 WeakPolarHBondContact O-CG 3.35Å; L450-E454 PolarHBondContact O-N 2.94Å; M452-E454 VanDerWaalsContact C-N 3.33Å; E454-M456 VanDerWaalsContact C-N 3.33Å; E454-M456 PolarHBondContact O-N 3.36Å; E454-L457 WeakPolarHBondContact O-CA 3.26Å; E454-L457 WeakPolarHBondContact O-CB 3.43Å; E454-L457 PolarHBondContact O-N 3.14Å; E454-E458 WeakPolarHBondContact O-CG 3.25Å; E454-E458 PolarHBondContact O-N 3.32Å; E454-L464 HydrophobicContact CG-CB 4.43Å; E454-L464 HydrophobicContact CG-CD2 3.47Å; E454-L464 VanDerWaalsContact CG-CD2 3.47Å
455	L	67.5	Low	72.3	Confident	36 Å²	36	51.8 Å²	51.8	19%	0.188	28%	0.277	C	S	.	.	H	α-helix	trans	-61.2	-41.3	179.8	-170.9	116.8	0	0	0	112.6	R359 D451 M452 L457 E458 E459	R359-L455 VanDerWaalsContact NH2-CG 3.33Å; D451-L455 WeakPolarHBondContact O-CB 3.02Å; D451-L455 PolarHBondContact O-N 2.96Å; D451-L455 VanDerWaalsContact O-N 3.07Å; M452-L455 PolarHBondContact O-N 3.11Å; L455-L457 PolarHBondContact O-N 2.84Å; L455-E458 PolarHBondContact O-N 2.82Å; L455-E459 WeakPolarHBondContact O-CG 3.48Å; L455-E459 PolarHBondContact O-N 2.81Å
456	M	75.2	Confident	74.2	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.02	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-25.8	176.9	-68.7	168.7	69.9	0	0	112.9	L412 R416 I419 M452 V453 E454 K460	L412-M456 HydrophobicContact CD1-CE 4.4Å; L412-M456 HydrophobicContact CD1-SD 3.97Å; R416-M456 HydrophobicContact CB-CE 4.18Å; R416-M456 HydrophobicContact CG-CE 3.15Å; I419-M456 HydrophobicContact CD1-CB 4.25Å; I419-M456 HydrophobicContact CD1-CE 3.58Å; I419-M456 HydrophobicContact CD1-SD 4.05Å; M452-M456 HydrophobicContact CG-SD 4.08Å; M452-M456 WeakPolarHBondContact O-CB 3.47Å; M452-M456 WeakPolarHBondContact O-CG 3.22Å; M452-M456 PolarHBondContact O-N 3.3Å; V453-M456 PolarHBondContact O-N 2.99Å; E454-M456 VanDerWaalsContact C-N 3.33Å; E454-M456 PolarHBondContact O-N 3.36Å; M456-K460 WeakPolarHBondContact O-CD 3.41Å; M456-K460 WeakPolarHBondContact O-CG 3.28Å
457	L	80.8	Confident	75.3	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-81.7	-40.7	174.2	-65.4	169.7	0	0	0	111.2	I419 L423 F432 V453 E454 L455 E459 K460 G461 V462 L464	I419-L457 HydrophobicContact CG2-CD2 3.81Å; L423-L457 HydrophobicContact CD2-CD2 4.23Å; F432-L457 HydrophobicContact CB-CD1 3.7Å; F432-L457 HydrophobicContact CB-CD2 4.06Å; F432-L457 HydrophobicContact CD1-CD1 3.8Å; F432-L457 HydrophobicContact CD1-CD2 4.37Å; F432-L457 HydrophobicContact CD2-CD1 4.16Å; F432-L457 HydrophobicContact CD2-CD2 3.28Å; F432-L457 HydrophobicContact CD2-CG 4.37Å; F432-L457 HydrophobicContact CE1-CD1 4.45Å; F432-L457 HydrophobicContact CE2-CD2 3.69Å; F432-L457 HydrophobicContact CG-CD1 3.61Å; F432-L457 HydrophobicContact CG-CD2 3.65Å; F432-L457 HydrophobicContact CG-CG 4.3Å; F432-L457 HydrophobicContact CZ-CD2 4.39Å; V453-L457 HydrophobicContact CG1-CD1 4.01Å; V453-L457 WeakPolarHBondContact O-CG 3.44Å; V453-L457 PolarHBondContact O-N 3.32Å; V453-L457 VanDerWaalsContact O-N 3.1Å; E454-L457 WeakPolarHBondContact O-CA 3.26Å; E454-L457 WeakPolarHBondContact O-CB 3.43Å; E454-L457 PolarHBondContact O-N 3.14Å; L455-L457 PolarHBondContact O-N 2.84Å; L457-E459 PolarHBondContact O-N 3.05Å; L457-K460 CarbonylContact O-C 3.48Å; L457-K460 WeakPolarHBondContact O-CA 3.44Å; L457-K460 PolarHBondContact O-N 2.71Å; L457-G461 PolarHBondContact O-N 3.35Å; L457-G461 VanDerWaalsContact O-N 3.09Å; L457-V462 CarbonylContact C-O 3.55Å; L457-V462 WeakPolarHBondContact CB-O 3.49Å; L457-V462 PolarHBondContact O-N 3.11Å; L457-L464 HydrophobicContact CD1-CB 4.03Å; L457-L464 HydrophobicContact CD1-CD1 4.1Å
458	E	77.6	Confident	76.4	Confident	136 Å²	136	52.7 Å²	52.7	64%	0.636	29%	0.291	S	S	*	.	H	α-helix	trans	-58.3	-44.1	174	-73.9	-179.2	168.1	0	0	112.1	E454 L455 K460 G461	E454-E458 WeakPolarHBondContact O-CG 3.25Å; E454-E458 PolarHBondContact O-N 3.32Å; L455-E458 PolarHBondContact O-N 2.82Å; E458-K460 PolarHBondContact O-N 2.78Å; E458-K460 VanDerWaalsContact O-N 3.09Å; E458-G461 PolarHBondContact O-N 2.86Å
459	E	72.3	Confident	76.8	Confident	132 Å²	132	53.4 Å²	53.4	62%	0.617	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.1	174.7	-75.3	-176.5	166	0	0	113	L455 L457	L455-E459 WeakPolarHBondContact O-CG 3.48Å; L455-E459 PolarHBondContact O-N 2.81Å; L457-E459 PolarHBondContact O-N 3.05Å
460	K	77.9	Confident	77.3	Confident	98 Å²	98	58.7 Å²	58.7	43%	0.426	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	3.3	178.9	-62.9	175.2	-173.3	-104	0	112.5	D420 L423 M456 L457 E458	D420-K460 IonicContact OD1-NZ 2.74Å; D420-K460 PolarHBondContact OD1-NZ 3.26Å; L423-K460 HydrophobicContact CD1-CB 4.32Å; L423-K460 HydrophobicContact CD1-CD 3.33Å; L423-K460 HydrophobicContact CD1-CG 4.44Å; M456-K460 WeakPolarHBondContact O-CD 3.41Å; M456-K460 WeakPolarHBondContact O-CG 3.28Å; L457-K460 CarbonylContact O-C 3.48Å; L457-K460 WeakPolarHBondContact O-CA 3.44Å; L457-K460 PolarHBondContact O-N 2.71Å; E458-K460 PolarHBondContact O-N 2.78Å; E458-K460 VanDerWaalsContact O-N 3.09Å
461	G	79.6	Confident	77.9	Confident	72 Å²	72	61.8 Å²	61.8	74%	0.742	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	24.6	-180	0	0	0	0	0	114.5	L457 E458	L457-G461 PolarHBondContact O-N 3.35Å; L457-G461 VanDerWaalsContact O-N 3.09Å; E458-G461 PolarHBondContact O-N 2.86Å
462	V	85.9	Confident	78.5	Confident	33 Å²	33	59.1 Å²	59.1	20%	0.2	31%	0.312	C	S	.	.			trans	-112.8	133.3	-176.2	-179.4	0	0	0	0	110.2	L423 F432 L457	L423-V462 HydrophobicContact CD2-CB 4.14Å; L423-V462 HydrophobicContact CD2-CG1 3.89Å; L423-V462 HydrophobicContact CD2-CG2 3.78Å; F432-V462 HydrophobicContact CB-CG1 4.13Å; L457-V462 CarbonylContact C-O 3.55Å; L457-V462 WeakPolarHBondContact CB-O 3.49Å; L457-V462 PolarHBondContact O-N 3.11Å
463	Q	85.6	Confident	78.5	Confident	149 Å²	149	60.9 Å²	60.9	70%	0.696	33%	0.326	S	S	*	.			trans	-88.4	141	176.9	-67.6	-171	-19.8	0	0	111.6	M431 F432	M431-Q463 WeakPolarHBondContact CA-O 3.4Å; M431-Q463 HydrophobicContact CE-CB 4.25Å; F432-Q463 PolarHBondContact N-O 3.27Å
464	L	86.2	Confident	78.4	Confident	13 Å²	13	66.9 Å²	66.9	7%	0.068	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-83.7	137.4	174	178	62	0	0	0	111	M431 F432 A437 E454 L457 S466 L469	M431-L464 WeakPolarHBondContact CE-O 3.45Å; F432-L464 HydrophobicContact CB-CD1 4.19Å; F432-L464 HydrophobicContact CD1-CD1 3.86Å; F432-L464 HydrophobicContact CG-CD1 4.49Å; A437-L464 HydrophobicContact CB-CD1 3.46Å; A437-L464 VanDerWaalsContact CB-CD1 3.46Å; A437-L464 HydrophobicContact CB-CD2 4.3Å; E454-L464 HydrophobicContact CG-CB 4.43Å; E454-L464 HydrophobicContact CG-CD2 3.47Å; E454-L464 VanDerWaalsContact CG-CD2 3.47Å; L457-L464 HydrophobicContact CD1-CB 4.03Å; L457-L464 HydrophobicContact CD1-CD1 4.1Å; L464-S466 VanDerWaalsContact C-N 3.26Å; L464-S466 PolarHBondContact O-N 3.31Å; L464-S466 PolarHBondContact O-OG 2.85Å; L464-L469 HydrophobicContact CD2-CD2 3.99Å
465	D	86.1	Confident	78.4	Confident	46 Å²	46	67.3 Å²	67.3	25%	0.246	36%	0.357	C	S	.	.			trans	-65.5	84.9	169.1	178.8	13	0	0	0	111.1	M431 F432 A434 G468 L469	M431-D465 HydrophobicContact CB-CB 4.35Å; F432-D465 WeakPolarHBondContact O-CB 3.35Å; F432-D465 PolarHBondContact O-N 2.75Å; F432-D465 VanDerWaalsContact O-N 3.08Å; A434-D465 HydrophobicContact CB-CB 4.12Å; D465-G468 PolarHBondContact OD1-N 2.99Å; D465-L469 PolarHBondContact O-N 3.49Å; D465-L469 VanDerWaalsContact O-N 3.15Å
466	S	79.8	Confident	78.3	Confident	59 Å²	59	67.1 Å²	67.1	41%	0.413	36%	0.36	S	S	.	.	H	α-helix	trans	-70	-36.3	-175.4	-56	0	0	0	0	111.6	L464 L469 E470	L464-S466 VanDerWaalsContact C-N 3.26Å; L464-S466 PolarHBondContact O-N 3.31Å; L464-S466 PolarHBondContact O-OG 2.85Å; S466-L469 WeakPolarHBondContact O-CB 3.35Å; S466-L469 PolarHBondContact O-N 3.38Å; S466-E470 WeakPolarHBondContact O-CG 3.43Å; S466-E470 PolarHBondContact O-N 3.35Å
467	T	83.3	Confident	77.4	Confident	108 Å²	108	69.5 Å²	69.5	66%	0.663	38%	0.38	S	S	*	.	H	α-helix	trans	-65.2	-43.2	177.3	-47.5	0	0	0	0	111.4	L469 R471	T467-L469 VanDerWaalsContact C-N 3.28Å; T467-L469 PolarHBondContact O-N 3.05Å; T467-R471 PolarHBondContact O-N 2.98Å; T467-R471 VanDerWaalsContact O-N 3.16Å
468	G	82.6	Confident	76.7	Confident	7 Å²	7	74 Å²	74	7%	0.072	40%	0.402	C	S	.	.	H	α-helix	trans	-63.2	-35.7	173.6	0	0	0	0	0	112.5	D465 R471 L472	D465-G468 PolarHBondContact OD1-N 2.99Å; G468-R471 PolarHBondContact O-N 3.09Å; G468-L472 WeakPolarHBondContact O-CG 3.34Å; G468-L472 PolarHBondContact O-N 3.05Å; G468-L472 VanDerWaalsContact O-N 3.08Å
469	L	78	Confident	75.8	Confident	15 Å²	15	72.9 Å²	72.9	8%	0.079	40%	0.396	C	S	.	.	H	α-helix	trans	-68.4	-45.1	178.7	-161.3	78	0	0	0	112.1	A434 A437 W438 L450 L464 D465 S466 T467 R471 L472 A473	A434-L469 HydrophobicContact CB-CB 4.45Å; A437-L469 HydrophobicContact CB-CD1 4.18Å; W438-L469 HydrophobicContact CB-CD1 4.24Å; W438-L469 HydrophobicContact CE3-CD1 3.89Å; W438-L469 HydrophobicContact CE3-CG 4.32Å; L450-L469 HydrophobicContact CD1-CD1 4.41Å; L450-L469 HydrophobicContact CD1-CD2 3.9Å; L450-L469 HydrophobicContact CD1-CG 4.32Å; L450-L469 HydrophobicContact CD2-CD1 3.8Å; L450-L469 HydrophobicContact CD2-CD2 4.05Å; L450-L469 HydrophobicContact CD2-CG 4.44Å; L450-L469 HydrophobicContact CG-CD2 4.41Å; L464-L469 HydrophobicContact CD2-CD2 3.99Å; D465-L469 PolarHBondContact O-N 3.49Å; D465-L469 VanDerWaalsContact O-N 3.15Å; S466-L469 WeakPolarHBondContact O-CB 3.35Å; S466-L469 PolarHBondContact O-N 3.38Å; T467-L469 VanDerWaalsContact C-N 3.28Å; T467-L469 PolarHBondContact O-N 3.05Å; L469-R471 VanDerWaalsContact C-N 3.32Å; L469-R471 PolarHBondContact O-N 3.09Å; L469-L472 PolarHBondContact O-N 3.41Å; L469-A473 WeakPolarHBondContact O-CB 3.5Å; L469-A473 PolarHBondContact O-N 2.97Å
470	E	75.3	Confident	74.8	Confident	138 Å²	138	73.2 Å²	73.2	65%	0.645	40%	0.397	S	S	*	.	H	α-helix	trans	-59.2	-42.8	174.8	-75.8	177.5	-177.2	0	0	111.6	S466 A473 Q474	S466-E470 WeakPolarHBondContact O-CG 3.43Å; S466-E470 PolarHBondContact O-N 3.35Å; E470-A473 PolarHBondContact O-N 2.78Å; E470-Q474 WeakPolarHBondContact O-CB 3.49Å; E470-Q474 PolarHBondContact O-N 2.98Å
471	R	82	Confident	73.4	Confident	104 Å²	104	71.9 Å²	71.9	39%	0.392	41%	0.405	S	S	.	.	H	α-helix	trans	-59.2	-49.2	174.7	-178.8	-174.7	61.8	81.1	0.4	111.6	E435 T467 G468 L469 A473 Q474 E475	E435-R471 IonicContact OE1-NH2 3.01Å; E435-R471 PolarHBondContact OE1-NH2 3.12Å; T467-R471 PolarHBondContact O-N 2.98Å; T467-R471 VanDerWaalsContact O-N 3.16Å; G468-R471 PolarHBondContact O-N 3.09Å; L469-R471 VanDerWaalsContact C-N 3.32Å; L469-R471 PolarHBondContact O-N 3.09Å; R471-A473 VanDerWaalsContact C-N 3.31Å; R471-A473 PolarHBondContact O-N 3.11Å; R471-Q474 PolarHBondContact O-N 3.46Å; R471-E475 WeakPolarHBondContact CG-OE1 3.22Å; R471-E475 IonicContact CZ-OE1 2.65Å; R471-E475 VanDerWaalsContact NH1-CD 3.33Å; R471-E475 IonicContact NH1-OE1 3.23Å; R471-E475 PolarHBondContact NH1-OE1 3.39Å; R471-E475 IonicContact NH1-OE2 3.55Å; R471-E475 PolarHBondContact NH1-OE2 3.21Å; R471-E475 WeakPolarHBondContact O-CG 3.31Å; R471-E475 PolarHBondContact O-N 2.84Å
472	L	76.3	Confident	72	Confident	20 Å²	20	78 Å²	78	11%	0.105	41%	0.406	C	S	.	.	H	α-helix	trans	-63	-37.5	178.6	-71.3	169.8	0	0	0	112.1	A434 E435 W438 G468 L469 E475 A476	A434-L472 HydrophobicContact CB-CD1 4.08Å; E435-L472 HydrophobicContact CG-CD1 4.24Å; W438-L472 HydrophobicContact CB-CD1 3.66Å; W438-L472 HydrophobicContact CD2-CB 3.77Å; W438-L472 HydrophobicContact CD2-CD1 4.42Å; W438-L472 HydrophobicContact CE3-CB 4.24Å; W438-L472 HydrophobicContact CG-CB 3.93Å; W438-L472 HydrophobicContact CG-CD1 3.78Å; W438-L472 HydrophobicContact CG-CG 4.4Å; W438-L472 HydrophobicContact CZ2-CB 4.46Å; W438-L472 WeakPolarHBondContact CZ2-O 3.29Å; G468-L472 WeakPolarHBondContact O-CG 3.34Å; G468-L472 PolarHBondContact O-N 3.05Å; G468-L472 VanDerWaalsContact O-N 3.08Å; L469-L472 PolarHBondContact O-N 3.41Å; L472-E475 PolarHBondContact O-N 3.33Å; L472-A476 VanDerWaalsContact O-CB 3.32Å; L472-A476 WeakPolarHBondContact O-CB 3.06Å; L472-A476 PolarHBondContact O-N 3.1Å
473	A	68.4	Low	69.8	Low	39 Å²	39	83.7 Å²	83.7	32%	0.322	43%	0.43	S	S	.	.	H	α-helix	trans	-64	-42.5	174.1	0	0	0	0	0	112.2	W438 L469 E470 R471 A476 A477	W438-A473 HydrophobicContact CH2-CB 3.64Å; W438-A473 HydrophobicContact CZ3-CB 3.76Å; L469-A473 WeakPolarHBondContact O-CB 3.5Å; L469-A473 PolarHBondContact O-N 2.97Å; E470-A473 PolarHBondContact O-N 2.78Å; R471-A473 VanDerWaalsContact C-N 3.31Å; R471-A473 PolarHBondContact O-N 3.11Å; A473-A476 PolarHBondContact O-N 2.93Å; A473-A477 VanDerWaalsContact O-CB 3.31Å; A473-A477 WeakPolarHBondContact O-CB 3.42Å; A473-A477 PolarHBondContact O-N 3.04Å
474	Q	71.8	Confident	67.3	Low	126 Å²	126	79.5 Å²	79.5	59%	0.589	42%	0.421	S	S	*	.	H	α-helix	trans	-66.8	-42.9	176.7	-163.3	175.5	25.2	0	0	111.9	E470 R471 A477 Q478	E470-Q474 WeakPolarHBondContact O-CB 3.49Å; E470-Q474 PolarHBondContact O-N 2.98Å; R471-Q474 PolarHBondContact O-N 3.46Å; Q474-A477 PolarHBondContact O-N 3.26Å; Q474-Q478 WeakPolarHBondContact O-CB 3.35Å; Q474-Q478 VanDerWaalsContact O-CG 3.26Å; Q474-Q478 WeakPolarHBondContact O-CG 3.37Å; Q474-Q478 PolarHBondContact O-N 3.28Å
475	E	74.9	Confident	64.5	Low	78 Å²	78	87.8 Å²	87.8	36%	0.364	46%	0.456	S	S	.	.	H	α-helix	trans	-61	-43.1	174.9	-74.8	171.8	-170.9	0	0	111.8	R471 L472 Q478 H479	R471-E475 WeakPolarHBondContact CG-OE1 3.22Å; R471-E475 IonicContact CZ-OE1 2.65Å; R471-E475 VanDerWaalsContact NH1-CD 3.33Å; R471-E475 IonicContact NH1-OE1 3.23Å; R471-E475 PolarHBondContact NH1-OE1 3.39Å; R471-E475 IonicContact NH1-OE2 3.55Å; R471-E475 PolarHBondContact NH1-OE2 3.21Å; R471-E475 WeakPolarHBondContact O-CG 3.31Å; R471-E475 PolarHBondContact O-N 2.84Å; L472-E475 PolarHBondContact O-N 3.33Å; E475-Q478 PolarHBondContact O-N 3Å; E475-H479 WeakPolarHBondContact O-CB 3.48Å; E475-H479 PolarHBondContact O-N 3.43Å
476	A	64.1	Low	61.7	Low	32 Å²	32	90.2 Å²	90.2	26%	0.264	48%	0.475	S	S	.	.	H	α-helix	trans	-67.4	-41.9	176.6	0	0	0	0	0	112.4	W438 L472 A473 Q478 H479 Q480	W438-A476 HydrophobicContact CH2-CB 4.41Å; W438-A476 HydrophobicContact CZ2-CB 3.61Å; L472-A476 VanDerWaalsContact O-CB 3.32Å; L472-A476 WeakPolarHBondContact O-CB 3.06Å; L472-A476 PolarHBondContact O-N 3.1Å; A473-A476 PolarHBondContact O-N 2.93Å; A476-Q478 VanDerWaalsContact C-N 3.34Å; A476-Q478 PolarHBondContact O-N 3.35Å; A476-H479 PolarHBondContact O-N 3.33Å; A476-Q480 WeakPolarHBondContact O-CB 3.33Å; A476-Q480 PolarHBondContact O-N 3.07Å
477	A	56.3	Low	59.6	Low	54 Å²	54	94 Å²	94	45%	0.446	50%	0.495	S	S	.	.	H	α-helix	trans	-62.2	-40.6	174.4	0	0	0	0	0	111.6	A473 Q474 Q480 A481	A473-A477 VanDerWaalsContact O-CB 3.31Å; A473-A477 WeakPolarHBondContact O-CB 3.42Å; A473-A477 PolarHBondContact O-N 3.04Å; Q474-A477 PolarHBondContact O-N 3.26Å; A477-Q480 PolarHBondContact O-N 2.96Å; A477-A481 VanDerWaalsContact O-CB 3.29Å; A477-A481 WeakPolarHBondContact O-CB 3.37Å; A477-A481 PolarHBondContact O-N 3.46Å
478	Q	66	Low	57.1	Low	96 Å²	96	95.5 Å²	95.5	45%	0.449	50%	0.495	S	S	.	.	H	α-helix	trans	-65.6	-40.8	173.9	-73.8	175.1	11.8	0	0	112.3	Q474 E475 A476 A481 R482	Q474-Q478 WeakPolarHBondContact O-CB 3.35Å; Q474-Q478 VanDerWaalsContact O-CG 3.26Å; Q474-Q478 WeakPolarHBondContact O-CG 3.37Å; Q474-Q478 PolarHBondContact O-N 3.28Å; E475-Q478 PolarHBondContact O-N 3Å; A476-Q478 VanDerWaalsContact C-N 3.34Å; A476-Q478 PolarHBondContact O-N 3.35Å; Q478-A481 PolarHBondContact O-N 3.33Å; Q478-R482 VanDerWaalsContact O-CG 3.31Å; Q478-R482 WeakPolarHBondContact O-CG 3.38Å; Q478-R482 PolarHBondContact O-N 3.32Å
479	H	58.8	Low	55.2	Low	111 Å²	111	101.9 Å²	101.9	51%	0.514	52%	0.521	S	S	.	.	H	α-helix	trans	-64.7	-41.8	174.3	-100.4	-76.9	0	0	0	112.2	E475 A476 R482 Q483	E475-H479 WeakPolarHBondContact O-CB 3.48Å; E475-H479 PolarHBondContact O-N 3.43Å; A476-H479 PolarHBondContact O-N 3.33Å; H479-R482 PolarHBondContact O-N 3.49Å; H479-Q483 WeakPolarHBondContact O-CG 3.42Å; H479-Q483 PolarHBondContact O-N 2.94Å; H479-Q483 VanDerWaalsContact O-N 3.1Å
480	Q	51.8	Low	53.4	Low	139 Å²	139	108.7 Å²	108.7	65%	0.65	55%	0.552	S	S	*	*	H	α-helix	trans	-64.4	-41.7	172.8	-97	-180	-23.6	0	0	111.7	A476 A477 R482 Q483 A484	A476-Q480 WeakPolarHBondContact O-CB 3.33Å; A476-Q480 PolarHBondContact O-N 3.07Å; A477-Q480 PolarHBondContact O-N 2.96Å; Q480-R482 VanDerWaalsContact C-N 3.28Å; Q480-R482 PolarHBondContact O-N 3.4Å; Q480-Q483 CarbonylContact O-C 3.55Å; Q480-Q483 PolarHBondContact O-N 3.41Å; Q480-Q483 VanDerWaalsContact O-N 3.12Å; Q480-A484 WeakPolarHBondContact O-CB 3.44Å; Q480-A484 PolarHBondContact O-N 2.84Å
481	A	49	Very low	52.5	Low	71 Å²	71	104 Å²	104	59%	0.587	54%	0.541	S	S	*	.	H	α-helix	trans	-64	-32.9	175.8	0	0	0	0	0	112.5	A477 Q478	A477-A481 VanDerWaalsContact O-CB 3.29Å; A477-A481 WeakPolarHBondContact O-CB 3.37Å; A477-A481 PolarHBondContact O-N 3.46Å; Q478-A481 PolarHBondContact O-N 3.33Å
482	R	51	Low	52	Low	200 Å²	200	99.6 Å²	99.6	76%	0.755	53%	0.525	S	S	*	.	H	α-helix	trans	-72.6	-26.5	173.1	-73.4	174.4	-179.3	-178.8	2.2	113.3	Q478 H479 Q480	Q478-R482 VanDerWaalsContact O-CG 3.31Å; Q478-R482 WeakPolarHBondContact O-CG 3.38Å; Q478-R482 PolarHBondContact O-N 3.32Å; H479-R482 PolarHBondContact O-N 3.49Å; Q480-R482 VanDerWaalsContact C-N 3.28Å; Q480-R482 PolarHBondContact O-N 3.4Å
483	Q	39.7	Very low	52	Low	152 Å²	152	103.7 Å²	103.7	71%	0.71	54%	0.539	S	S	*	.	H	α-helix	trans	-94.8	-27.2	179.1	-71.3	-178.1	6.7	0	0	113.3	H479 Q480 K485	H479-Q483 WeakPolarHBondContact O-CG 3.42Å; H479-Q483 PolarHBondContact O-N 2.94Å; H479-Q483 VanDerWaalsContact O-N 3.1Å; Q480-Q483 CarbonylContact O-C 3.55Å; Q480-Q483 PolarHBondContact O-N 3.41Å; Q480-Q483 VanDerWaalsContact O-N 3.12Å; Q483-K485 VanDerWaalsContact C-N 3.32Å; Q483-K485 PolarHBondContact O-N 3.21Å
484	A	32	Very low	52.6	Low	62 Å²	62	101.9 Å²	101.9	51%	0.512	52%	0.524	S	S	.	.	S	Bend	trans	-72.5	90.5	169.5	0	0	0	0	0	107	Q480 P486	Q480-A484 WeakPolarHBondContact O-CB 3.44Å; Q480-A484 PolarHBondContact O-N 2.84Å; A484-P486 VanDerWaalsContact O-N 3.16Å
485	K	27.7	Very low	53	Low	186 Å²	186	99.6 Å²	99.6	81%	0.809	52%	0.516	S	S	*	.			trans	-51.9	126.6	157.1	-74.1	-172.9	177.1	-176	0	105.8	Q483 V487	Q483-K485 VanDerWaalsContact C-N 3.32Å; Q483-K485 PolarHBondContact O-N 3.21Å; K485-V487 PolarHBondContact O-N 3.42Å
486	P	28.1	Very low	53.3	Low	98 Å²	98	96.6 Å²	96.6	64%	0.636	50%	0.503	S	S	*	.			trans	-53.1	126.6	171.1	22.1	-30	0	0	0	105.8	A484 Q488	A484-P486 VanDerWaalsContact O-N 3.16Å; P486-Q488 HydrophobicContact CB-CG 4.35Å; P486-Q488 PolarHBondContact O-N 3.02Å
487	V	34.6	Very low	54.2	Low	139 Å²	139	97.4 Å²	97.4	84%	0.842	50%	0.501	S	S	*	.			trans	-70.6	64.7	161.5	-173.7	0	0	0	0	105.4	K485 K489	K485-V487 PolarHBondContact O-N 3.42Å; V487-K489 PolarHBondContact O-N 3.33Å
488	Q	31.6	Very low	55.6	Low	138 Å²	138	95.7 Å²	95.7	65%	0.645	49%	0.487	S	S	*	.			trans	-59.5	116.2	150.4	-82.7	177.6	-9.7	0	0	103.1	P486 Q490	P486-Q488 HydrophobicContact CB-CG 4.35Å; P486-Q488 PolarHBondContact O-N 3.02Å; Q488-Q490 PolarHBondContact O-N 3.49Å
489	K	42.5	Very low	56.5	Low	142 Å²	142	91.2 Å²	91.2	62%	0.617	47%	0.466	S	S	*	.			trans	-55.4	93.4	163.2	-74.2	-178	175.7	-176.9	0	105.3	V487 G491	V487-K489 PolarHBondContact O-N 3.33Å; K489-G491 PolarHBondContact O-N 2.83Å
490	Q	39.6	Very low	57.7	Low	157 Å²	157	86.1 Å²	86.1	73%	0.734	44%	0.444	S	S	*	.			trans	-70.7	121.9	-177.7	-81.4	-174.4	-22.4	0	0	107.2	Q488 R592	Q488-Q490 PolarHBondContact O-N 3.49Å; Q490-R592 PolarHBondContact O-NH1 2.91Å; Q490-R592 PolarHBondContact O-NH2 3.46Å; Q490-R592 VanDerWaalsContact O-NH2 3.13Å
491	G	56.4	Low	59.4	Low	41 Å²	41	82.9 Å²	82.9	42%	0.423	43%	0.429	S	S	.	.	S	Bend	trans	105.6	179.7	172.4	0	0	0	0	0	114	K489	K489-G491 PolarHBondContact O-N 2.83Å
492	L	72.2	Confident	61.2	Low	11 Å²	11	79.5 Å²	79.5	6%	0.058	40%	0.401	C	S	.	.			trans	-69.9	135.7	-166.2	-166.8	73.3	0	0	0	111.7	T540 E541 L601 E603	L492-T540 WeakPolarHBondContact CD1-O 3.44Å; L492-E541 WeakPolarHBondContact CD1-O 3.14Å; L492-L601 HydrophobicContact CB-CD2 4.2Å; L492-L601 HydrophobicContact CD2-CD1 4.06Å; L492-L601 HydrophobicContact CD2-CD2 3.96Å; L492-L601 HydrophobicContact CD2-CG 4.3Å; L492-L601 HydrophobicContact CG-CD2 3.97Å; L492-E603 WeakPolarHBondContact CA-OE1 3.19Å; L492-E603 HydrophobicContact CB-CG 4.15Å; L492-E603 VanDerWaalsContact CB-OE1 3.27Å; L492-E603 WeakPolarHBondContact CB-OE1 3.28Å; L492-E603 PolarHBondContact N-OE1 2.95Å
493	W	74.6	Confident	62.9	Low	106 Å²	106	75 Å²	75	40%	0.402	39%	0.388	S	S	.	.			trans	-142.2	144.3	177.9	-179.8	-87	0	0	0	109.5
494	L	81.6	Confident	65	Low	1 Å²	1	75.1 Å²	75.1	1%	0.005	38%	0.382	C	S	.	.			trans	-90.6	115.7	173.8	-58	-175.4	0	0	0	110	A498 L499 L502 Y539 L558 C596 L601	L494-A498 HydrophobicContact CB-CB 4.16Å; L494-A498 HydrophobicContact CD2-CB 4.26Å; L494-L499 HydrophobicContact CB-CD2 4.14Å; L494-L499 HydrophobicContact CB-CG 4.14Å; L494-L499 HydrophobicContact CD1-CD2 4.19Å; L494-L502 HydrophobicContact CD1-CD1 4.05Å; L494-Y539 HydrophobicContact CD1-CE2 4.27Å; L494-Y539 HydrophobicContact CD2-CD1 3.87Å; L494-Y539 HydrophobicContact CD2-CD2 3.97Å; L494-Y539 HydrophobicContact CD2-CE1 3.62Å; L494-Y539 HydrophobicContact CD2-CE2 3.74Å; L494-Y539 HydrophobicContact CD2-CG 4.03Å; L494-L558 HydrophobicContact CD1-CD1 4.1Å; L494-L558 HydrophobicContact CD1-CD2 4.3Å; L494-C596 HydrophobicContact CB-CB 4.24Å; L494-C596 HydrophobicContact CD1-CB 4.18Å; L494-C596 HydrophobicContact CG-CB 4.34Å; L494-L601 HydrophobicContact CD2-CD1 4.36Å; L494-L601 HydrophobicContact CG-CD1 4.45Å; L494-L601 HydrophobicContact CG-CD2 4.3Å
495	D	80.3	Confident	67.7	Low	78 Å²	78	77 Å²	77	42%	0.417	38%	0.381	S	S	.	.			trans	-71.1	178.4	174	68.9	25.3	0	0	0	112.3	H497 A498 L499	D495-H497 PolarHBondContact O-N 3.25Å; D495-H497 WeakPolarHBondContact OD1-CA 3.34Å; D495-H497 WeakPolarHBondContact OD1-CB 3.46Å; D495-H497 PolarHBondContact OD1-N 3.12Å; D495-A498 PolarHBondContact O-N 2.91Å; D495-A498 PolarHBondContact OD1-N 2.93Å; D495-L499 WeakPolarHBondContact O-CG 3.34Å; D495-L499 PolarHBondContact O-N 3.21Å; D495-L499 VanDerWaalsContact O-N 3.1Å
496	V	81.4	Confident	70.6	Confident	14 Å²	14	71 Å²	71	9%	0.085	37%	0.371	C	S	.	.	H	α-helix	trans	-60.7	-32.8	-178.9	-175.2	0	0	0	0	111.8	L87 L259 P260 G500	L87-V496 HydrophobicContact CB-CG2 3.95Å; L87-V496 HydrophobicContact CD2-CG2 3.45Å; L87-V496 VanDerWaalsContact CD2-CG2 3.45Å; L87-V496 HydrophobicContact CG-CG2 4.28Å; L259-V496 HydrophobicContact CD2-CG1 4.1Å; P260-V496 HydrophobicContact CG-CG1 3.93Å; V496-G500 PolarHBondContact O-N 3.33Å
497	H	83.9	Confident	73.5	Confident	49 Å²	49	67.4 Å²	67.4	23%	0.227	35%	0.347	C	S	.	.	H	α-helix	trans	-75.6	-43.2	-178.1	-62.3	-86.4	0	0	0	111.8	Q257 P258 D495 L499 G500 E501	Q257-H497 WeakPolarHBondContact CB-NE2 3.41Å; P258-H497 PolarHBondContact O-CE1 3.44Å; D495-H497 PolarHBondContact O-N 3.25Å; D495-H497 WeakPolarHBondContact OD1-CA 3.34Å; D495-H497 WeakPolarHBondContact OD1-CB 3.46Å; D495-H497 PolarHBondContact OD1-N 3.12Å; H497-L499 VanDerWaalsContact C-N 3.33Å; H497-G500 PolarHBondContact O-N 3.45Å; H497-E501 WeakPolarHBondContact O-CB 3.46Å; H497-E501 PolarHBondContact O-N 3.05Å
498	A	85.2	Confident	76.2	Confident	18 Å²	18	64.2 Å²	64.2	15%	0.149	33%	0.329	C	S	.	.	H	α-helix	trans	-59.7	-45.4	174.7	0	0	0	0	0	110.7	L494 D495 E501 L502 Y539	L494-A498 HydrophobicContact CB-CB 4.16Å; L494-A498 HydrophobicContact CD2-CB 4.26Å; D495-A498 PolarHBondContact O-N 2.91Å; D495-A498 PolarHBondContact OD1-N 2.93Å; A498-E501 PolarHBondContact O-N 3.31Å; A498-L502 WeakPolarHBondContact O-CG 3.4Å; A498-L502 PolarHBondContact O-N 3.06Å; A498-L502 VanDerWaalsContact O-N 3.08Å; A498-Y539 HydrophobicContact CB-CE1 4.39Å
499	L	85.6	Confident	79.1	Confident	2 Å²	2	61 Å²	61	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-64.3	-42.8	175.5	-67.9	172.6	0	0	0	112.2	T89 L494 D495 H497 E501 L502 Q503 C596 F599	T89-L499 HydrophobicContact CG2-CD1 3.76Å; L494-L499 HydrophobicContact CB-CD2 4.14Å; L494-L499 HydrophobicContact CB-CG 4.14Å; L494-L499 HydrophobicContact CD1-CD2 4.19Å; D495-L499 WeakPolarHBondContact O-CG 3.34Å; D495-L499 PolarHBondContact O-N 3.21Å; D495-L499 VanDerWaalsContact O-N 3.1Å; H497-L499 VanDerWaalsContact C-N 3.33Å; L499-E501 VanDerWaalsContact C-N 3.34Å; L499-E501 PolarHBondContact O-N 3.47Å; L499-L502 HydrophobicContact CD2-CD1 4.42Å; L499-L502 PolarHBondContact O-N 2.98Å; L499-Q503 WeakPolarHBondContact O-CG 3.31Å; L499-Q503 PolarHBondContact O-N 2.93Å; L499-Q503 VanDerWaalsContact O-N 3.12Å; L499-C596 HydrophobicContact CD2-CB 4.34Å; L499-F599 HydrophobicContact CD2-CD2 3.87Å; L499-F599 HydrophobicContact CD2-CE2 4.25Å
500	G	83.3	Confident	81.6	Confident	5 Å²	5	54.8 Å²	54.8	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-37.3	176.1	0	0	0	0	0	113.2	V496 H497 Q503 R504	V496-G500 PolarHBondContact O-N 3.33Å; H497-G500 PolarHBondContact O-N 3.45Å; G500-Q503 PolarHBondContact O-N 2.83Å; G500-R504 WeakPolarHBondContact O-CG 3.39Å; G500-R504 PolarHBondContact O-N 2.88Å
501	E	86.5	Confident	84.3	Confident	71 Å²	71	50.5 Å²	50.5	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-67.9	-42.6	175.6	-176.5	58.9	-159.1	0	0	111.9	H497 A498 L499 Q503 R504 Q505	H497-E501 WeakPolarHBondContact O-CB 3.46Å; H497-E501 PolarHBondContact O-N 3.05Å; A498-E501 PolarHBondContact O-N 3.31Å; L499-E501 VanDerWaalsContact C-N 3.34Å; L499-E501 PolarHBondContact O-N 3.47Å; E501-Q503 VanDerWaalsContact C-N 3.27Å; E501-Q503 PolarHBondContact O-N 3.12Å; E501-R504 PolarHBondContact O-N 3.29Å; E501-R504 VanDerWaalsContact O-N 3.15Å; E501-R504 IonicContact OE2-CZ 2.6Å; E501-R504 IonicContact OE2-NE 3.74Å; E501-R504 PolarHBondContact OE2-NE 3.03Å; E501-R504 IonicContact OE2-NH2 3.79Å; E501-R504 PolarHBondContact OE2-NH2 2.75Å; E501-Q505 HydrophobicContact CG-CG 4.37Å; E501-Q505 WeakPolarHBondContact O-CB 3.32Å; E501-Q505 WeakPolarHBondContact O-CG 3.17Å; E501-Q505 PolarHBondContact O-N 3.29Å; E501-Q505 WeakPolarHBondContact OE1-CG 3.41Å; E501-Q505 PolarHBondContact OE1-NE2 3.33Å
502	L	88.8	Confident	86.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.8	-43.3	174.4	-70.9	170.2	0	0	0	111.6	L494 A498 L499 Q505 G506 V507 Q537 Y539 L558 F599	L494-L502 HydrophobicContact CD1-CD1 4.05Å; A498-L502 WeakPolarHBondContact O-CG 3.4Å; A498-L502 PolarHBondContact O-N 3.06Å; A498-L502 VanDerWaalsContact O-N 3.08Å; L499-L502 HydrophobicContact CD2-CD1 4.42Å; L499-L502 PolarHBondContact O-N 2.98Å; L502-Q505 PolarHBondContact O-N 2.67Å; L502-G506 PolarHBondContact O-N 2.69Å; L502-V507 HydrophobicContact CB-CB 4.36Å; L502-V507 HydrophobicContact CD2-CB 4.04Å; L502-V507 HydrophobicContact CD2-CG1 4.18Å; L502-V507 HydrophobicContact CD2-CG2 3.88Å; L502-V507 PolarHBondContact O-N 2.96Å; L502-Q537 HydrophobicContact CD2-CB 4.28Å; L502-Q537 HydrophobicContact CD2-CG 4.18Å; L502-Y539 WeakPolarHBondContact CD1-OH 3.12Å; L502-L558 HydrophobicContact CD1-CD1 3.54Å; L502-L558 HydrophobicContact CD2-CD1 3.95Å; L502-L558 HydrophobicContact CG-CD1 4.41Å; L502-F599 HydrophobicContact CB-CE2 4.02Å; L502-F599 HydrophobicContact CB-CZ 3.77Å; L502-F599 HydrophobicContact CD1-CD1 4.42Å; L502-F599 HydrophobicContact CD1-CD2 3.86Å; L502-F599 HydrophobicContact CD1-CE1 4.27Å; L502-F599 HydrophobicContact CD1-CE2 3.71Å; L502-F599 HydrophobicContact CD1-CG 4.23Å; L502-F599 HydrophobicContact CD1-CZ 3.93Å; L502-F599 HydrophobicContact CG-CZ 4.4Å
503	Q	84.7	Confident	87.1	Confident	104 Å²	104	51.9 Å²	51.9	49%	0.486	28%	0.28	S	S	.	.	H	α-helix	trans	-64.2	-44	176	-70.8	177.3	-3.1	0	0	112.1	L499 G500 E501 Q505 G506	L499-Q503 WeakPolarHBondContact O-CG 3.31Å; L499-Q503 PolarHBondContact O-N 2.93Å; L499-Q503 VanDerWaalsContact O-N 3.12Å; G500-Q503 PolarHBondContact O-N 2.83Å; E501-Q503 VanDerWaalsContact C-N 3.27Å; E501-Q503 PolarHBondContact O-N 3.12Å; Q503-Q505 VanDerWaalsContact C-N 3.32Å; Q503-Q505 PolarHBondContact O-N 2.56Å; Q503-G506 PolarHBondContact O-N 3.1Å; Q503-G506 VanDerWaalsContact O-N 3.08Å
504	R	85.6	Confident	88.2	Confident	155 Å²	155	48 Å²	48	59%	0.585	27%	0.269	S	S	*	.	H	α-helix	trans	-61.7	-39.1	176.5	-77.6	-170	-64.9	-93.2	3.4	112.8	G500 E501 G506	G500-R504 WeakPolarHBondContact O-CG 3.39Å; G500-R504 PolarHBondContact O-N 2.88Å; E501-R504 PolarHBondContact O-N 3.29Å; E501-R504 VanDerWaalsContact O-N 3.15Å; E501-R504 IonicContact OE2-CZ 2.6Å; E501-R504 IonicContact OE2-NE 3.74Å; E501-R504 PolarHBondContact OE2-NE 3.03Å; E501-R504 IonicContact OE2-NH2 3.79Å; E501-R504 PolarHBondContact OE2-NH2 2.75Å; R504-G506 PolarHBondContact O-N 3.12Å
505	Q	87.6	Confident	88.8	Confident	103 Å²	103	48.1 Å²	48.1	48%	0.481	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-8.3	176.8	-69.2	-179.4	2.7	0	0	112.9	E501 L502 Q503 V507	E501-Q505 HydrophobicContact CG-CG 4.37Å; E501-Q505 WeakPolarHBondContact O-CB 3.32Å; E501-Q505 WeakPolarHBondContact O-CG 3.17Å; E501-Q505 PolarHBondContact O-N 3.29Å; E501-Q505 WeakPolarHBondContact OE1-CG 3.41Å; E501-Q505 PolarHBondContact OE1-NE2 3.33Å; L502-Q505 PolarHBondContact O-N 2.67Å; Q503-Q505 VanDerWaalsContact C-N 3.32Å; Q503-Q505 PolarHBondContact O-N 2.56Å; Q505-V507 VanDerWaalsContact C-N 3.3Å; Q505-V507 HydrophobicContact CB-CG2 3.99Å; Q505-V507 PolarHBondContact O-N 2.92Å
506	G	88.1	Confident	89.5	Confident	58 Å²	58	46.9 Å²	46.9	60%	0.598	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	25.7	-178.3	0	0	0	0	0	113.4	L502 Q503 R504 P508	L502-G506 PolarHBondContact O-N 2.69Å; Q503-G506 PolarHBondContact O-N 3.1Å; Q503-G506 VanDerWaalsContact O-N 3.08Å; R504-G506 PolarHBondContact O-N 3.12Å; G506-P508 WeakPolarHBondContact O-CD 3.29Å
507	V	90.1	Very high	90.2	Very high	24 Å²	24	50.9 Å²	50.9	15%	0.145	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-67.9	121.7	175.8	-174.6	0	0	0	0	108.4	L502 Q505 L536 F599	L502-V507 HydrophobicContact CB-CB 4.36Å; L502-V507 HydrophobicContact CD2-CB 4.04Å; L502-V507 HydrophobicContact CD2-CG1 4.18Å; L502-V507 HydrophobicContact CD2-CG2 3.88Å; L502-V507 PolarHBondContact O-N 2.96Å; Q505-V507 VanDerWaalsContact C-N 3.3Å; Q505-V507 HydrophobicContact CB-CG2 3.99Å; Q505-V507 PolarHBondContact O-N 2.92Å; V507-L536 HydrophobicContact CG1-CB 4.15Å; V507-L536 HydrophobicContact CG1-CD1 3.93Å; V507-F599 HydrophobicContact CB-CE1 4.34Å; V507-F599 HydrophobicContact CG1-CE1 3.96Å
508	P	91.5	Very high	90.7	Very high	71 Å²	71	49.4 Å²	49.4	46%	0.461	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-71	147.3	-177.7	28.9	-34.7	0	0	0	111.3	G506 L536 F599	G506-P508 WeakPolarHBondContact O-CD 3.29Å; P508-L536 HydrophobicContact CG-CD1 4.24Å; P508-F599 VanDerWaalsContact O-CE1 3.28Å; P508-F599 WeakPolarHBondContact O-CE1 3.19Å
509	P	92.3	Very high	91.2	Very high	71 Å²	71	51.3 Å²	51.3	46%	0.461	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-55.1	148.7	170.2	-24.4	34.2	0	0	0	112	P92 D511	P92-P509 HydrophobicContact CG-CB 4.47Å; P92-P509 HydrophobicContact CG-CG 4.18Å; P509-D511 PolarHBondContact O-N 3.37Å
510	T	95.1	Very high	91.7	Very high	11 Å²	11	54.4 Å²	54.4	7%	0.067	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-69.4	126.7	-178.2	-57.8	0	0	0	0	111.4	S512 L559 T562 G598 I600	T510-S512 PolarHBondContact O-N 3.33Å; T510-S512 VanDerWaalsContact O-N 3.12Å; T510-L559 WeakPolarHBondContact CB-O 3.33Å; T510-L559 VanDerWaalsContact CG2-O 3.31Å; T510-L559 WeakPolarHBondContact CG2-O 3.48Å; T510-L559 PolarHBondContact OG1-O 3.44Å; T510-T562 HydrophobicContact CG2-CG2 3.84Å; T510-G598 PolarHBondContact N-O 2.94Å; T510-I600 HydrophobicContact CG2-CB 4Å; T510-I600 HydrophobicContact CG2-CG1 3.83Å; T510-I600 PolarHBondContact OG1-N 2.89Å; T510-I600 VanDerWaalsContact OG1-N 3.15Å
511	D	95.3	Very high	92.1	Very high	68 Å²	68	59.5 Å²	59.5	36%	0.364	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-72.3	102.7	168.6	176.8	15.7	0	0	0	110.6	P509 S513 P514 D560 R561 T562	P509-D511 PolarHBondContact O-N 3.37Å; D511-S513 WeakPolarHBondContact OD1-CB 3.47Å; D511-S513 PolarHBondContact OD1-N 3.28Å; D511-S513 PolarHBondContact OD1-OG 3.01Å; D511-S513 PolarHBondContact OD2-OG 3.15Å; D511-P514 WeakPolarHBondContact O-CD 3.2Å; D511-D560 PolarHBondContact N-O 2.94Å; D511-R561 HydrophobicContact CB-CB 3.94Å; D511-R561 CarbonylContact O-C 3.23Å; D511-R561 WeakPolarHBondContact O-CA 3.46Å; D511-R561 WeakPolarHBondContact O-CB 3.36Å; D511-T562 PolarHBondContact O-N 2.81Å
512	S	94.3	Very high	92.2	Very high	16 Å²	16	63 Å²	63	11%	0.112	35%	0.348	C	S	.	.			trans	-96.8	9.1	177.2	69.8	0	0	0	0	114	T510 P514 K515	T510-S512 PolarHBondContact O-N 3.33Å; T510-S512 VanDerWaalsContact O-N 3.12Å; S512-P514 VanDerWaalsContact C-N 3.31Å; S512-K515 WeakPolarHBondContact O-CD 3.48Å; S512-K515 WeakPolarHBondContact O-CE 3.48Å; S512-K515 WeakPolarHBondContact O-CG 3.5Å; S512-K515 PolarHBondContact O-N 3.25Å; S512-K515 PolarHBondContact OG-NZ 2.96Å
513	S	93.8	Very high	92.1	Very high	64 Å²	64	68.8 Å²	68.8	45%	0.448	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-58.4	-31.7	174.8	70	0	0	0	0	114.3	D511 K515 Y516	D511-S513 WeakPolarHBondContact OD1-CB 3.47Å; D511-S513 PolarHBondContact OD1-N 3.28Å; D511-S513 PolarHBondContact OD1-OG 3.01Å; D511-S513 PolarHBondContact OD2-OG 3.15Å; S513-K515 PolarHBondContact O-N 3.29Å; S513-Y516 PolarHBondContact O-N 3.34Å; S513-Y516 VanDerWaalsContact O-N 3.13Å
514	P	96.6	Very high	92.1	Very high	24 Å²	24	66 Å²	66	16%	0.156	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-60.8	-18.4	178.9	-25.3	36	0	0	0	114.7	D511 S512 Y516 N517 R561 T562 N563	D511-P514 WeakPolarHBondContact O-CD 3.2Å; S512-P514 VanDerWaalsContact C-N 3.31Å; P514-Y516 PolarHBondContact O-N 3.12Å; P514-Y516 VanDerWaalsContact O-N 3.16Å; P514-N517 VanDerWaalsContact O-CB 3.29Å; P514-N517 WeakPolarHBondContact O-CB 3.49Å; P514-N517 PolarHBondContact O-N 3.34Å; P514-R561 HydrophobicContact CG-CB 4.49Å; P514-T562 WeakPolarHBondContact CD-O 3.34Å; P514-N563 HydrophobicContact CB-CB 4.12Å
515	K	95.3	Very high	92.3	Very high	5 Å²	5	60.7 Å²	60.7	2%	0.022	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-62.1	-21.7	177.1	78	-161.2	168.2	-160.6	0	113.5	S512 S513 N563 Y565 R625	S512-K515 WeakPolarHBondContact O-CD 3.48Å; S512-K515 WeakPolarHBondContact O-CE 3.48Å; S512-K515 WeakPolarHBondContact O-CG 3.5Å; S512-K515 PolarHBondContact O-N 3.25Å; S512-K515 PolarHBondContact OG-NZ 2.96Å; S513-K515 PolarHBondContact O-N 3.29Å; K515-N563 WeakPolarHBondContact CA-O 3.15Å; K515-N563 WeakPolarHBondContact CB-O 3.3Å; K515-Y565 HydrophobicContact CD-CD2 4.09Å; K515-R625 PolarHBondContact O-NH1 3.23Å
516	Y	95.4	Very high	92.6	Very high	51 Å²	51	57.1 Å²	57.1	20%	0.2	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-92.5	-1.3	175.9	-53.6	-52.4	0	0	0	113.7	S513 P514 Y518 R722 C750	S513-Y516 PolarHBondContact O-N 3.34Å; S513-Y516 VanDerWaalsContact O-N 3.13Å; P514-Y516 PolarHBondContact O-N 3.12Å; P514-Y516 VanDerWaalsContact O-N 3.16Å; Y516-Y518 VanDerWaalsContact C-N 3.34Å; Y516-Y518 PolarHBondContact O-N 3.13Å; Y516-R722 VanDerWaalsContact CD1-NH2 3.34Å; Y516-R722 VanDerWaalsContact CE1-CZ 3.45Å; Y516-C750 PolarHBondContact OH-O 2.93Å
517	N	95.2	Very high	92.8	Very high	98 Å²	98	58 Å²	58	52%	0.524	34%	0.336	S	S	.	.			trans	-79.4	82.1	179.1	-172.7	9.8	0	0	0	110.6	P514 G529	P514-N517 VanDerWaalsContact O-CB 3.29Å; P514-N517 WeakPolarHBondContact O-CB 3.49Å; P514-N517 PolarHBondContact O-N 3.34Å; N517-G529 PolarHBondContact O-N 3.23Å
518	Y	95.8	Very high	92.8	Very high	18 Å²	18	58 Å²	58	7%	0.071	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	149.7	172.4	55.3	-96.5	0	0	0	111.8	Y516 Y526 E527 F528 M629 T752 H753 L755	Y516-Y518 VanDerWaalsContact C-N 3.34Å; Y516-Y518 PolarHBondContact O-N 3.13Å; Y518-Y526 AromaticContact CD2-CD1 3.98Å; Y518-Y526 HydrophobicContact CD2-CD1 3.98Å; Y518-Y526 HydrophobicContact CD2-CE1 4.09Å; Y518-Y526 HydrophobicContact CE2-CE1 4.31Å; Y518-E527 CarbonylContact C-O 3.5Å; Y518-E527 WeakPolarHBondContact CA-O 3.15Å; Y518-E527 VanDerWaalsContact CB-O 3.3Å; Y518-E527 WeakPolarHBondContact CB-O 3.29Å; Y518-F528 HydrophobicContact CD1-CD1 4.25Å; Y518-F528 HydrophobicContact CD1-CE1 4.18Å; Y518-F528 HydrophobicContact CG-CD1 4.18Å; Y518-F528 HydrophobicContact CG-CE1 4.09Å; Y518-M629 HydrophobicContact CD2-CE 3.81Å; Y518-M629 HydrophobicContact CE1-CE 4.22Å; Y518-M629 HydrophobicContact CE2-CE 3.38Å; Y518-M629 HydrophobicContact CG-CE 4.39Å; Y518-T752 HydrophobicContact CE1-CG2 4.33Å; Y518-H753 VanDerWaalsContact CE2-O 3.26Å; Y518-H753 WeakPolarHBondContact CE2-O 3.25Å; Y518-H753 PolarHBondContact OH-N 3.35Å; Y518-H753 PolarHBondContact OH-O 2.96Å; Y518-L755 HydrophobicContact CD2-CD1 4.33Å; Y518-L755 HydrophobicContact CD2-CG 4.43Å; Y518-L755 HydrophobicContact CE2-CD2 4.26Å; Y518-L755 HydrophobicContact CE2-CG 4.19Å
519	S	95.6	Very high	92.5	Very high	59 Å²	59	55.7 Å²	55.7	41%	0.413	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	158.1	-177.4	61.2	0	0	0	0	112.1	E527	S519-E527 PolarHBondContact N-O 3.45Å; S519-E527 PolarHBondContact O-N 3.11Å
520	L	94.4	Very high	92.2	Very high	66 Å²	66	58.1 Å²	58.1	35%	0.346	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	122	173.5	-163	69.4	0	0	0	109.7	G524 Y526 L755 R756	L520-G524 VanDerWaalsContact CD1-O 3.28Å; L520-G524 WeakPolarHBondContact CD1-O 3.3Å; L520-Y526 HydrophobicContact CD1-CD2 3.85Å; L520-Y526 HydrophobicContact CD1-CE2 3.61Å; L520-Y526 HydrophobicContact CD1-CG 4.42Å; L520-L755 HydrophobicContact CB-CD1 3.91Å; L520-R756 HydrophobicContact CD2-CG 4.29Å
521	R	92.3	Very high	92.2	Very high	112 Å²	112	58 Å²	58	42%	0.423	34%	0.336	S	S	.	.			trans	-73.6	159.9	172.3	-71.4	-177.7	173.4	-178.4	1.2	110.8	N523 G524 S525 E527	R521-N523 VanDerWaalsContact CB-OD1 3.22Å; R521-N523 WeakPolarHBondContact CB-OD1 3.04Å; R521-N523 PolarHBondContact O-N 3.36Å; R521-G524 PolarHBondContact O-N 3.46Å; R521-S525 WeakPolarHBondContact CB-O 3.22Å; R521-S525 PolarHBondContact N-O 3.5Å; R521-E527 HydrophobicContact CG-CB 4.16Å; R521-E527 IonicContact CZ-OE1 2.72Å; R521-E527 IonicContact CZ-OE2 3.68Å; R521-E527 VanDerWaalsContact NE-CD 3.33Å; R521-E527 IonicContact NE-OE1 3.52Å; R521-E527 IonicContact NE-OE2 3.55Å; R521-E527 PolarHBondContact NE-OE2 3.23Å; R521-E527 IonicContact NH2-OE1 2.73Å; R521-E527 PolarHBondContact NH2-OE1 3.39Å; R521-E527 IonicContact NH2-OE2 3.59Å; R521-E527 PolarHBondContact NH2-OE2 3.49Å
522	P	89.4	Confident	92.2	Very high	146 Å²	146	59.6 Å²	59.6	95%	0.948	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.3	178.4	-26.9	35.2	0	0	0	114.8	G524	P522-G524 VanDerWaalsContact C-N 3.28Å; P522-G524 PolarHBondContact O-N 3.41Å
523	N	86.7	Confident	92.4	Very high	120 Å²	120	58.9 Å²	58.9	64%	0.642	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	5.5	176.3	69.1	-5.1	0	0	0	113.9	R521 S525	R521-N523 VanDerWaalsContact CB-OD1 3.22Å; R521-N523 WeakPolarHBondContact CB-OD1 3.04Å; R521-N523 PolarHBondContact O-N 3.36Å; N523-S525 VanDerWaalsContact C-N 3.31Å; N523-S525 PolarHBondContact ND2-OG 2.94Å; N523-S525 PolarHBondContact O-N 2.88Å; N523-S525 WeakPolarHBondContact OD1-CB 3.46Å; N523-S525 PolarHBondContact OD1-N 2.74Å; N523-S525 PolarHBondContact OD1-OG 2.86Å
524	G	84.3	Confident	92.6	Very high	46 Å²	46	59.4 Å²	59.4	47%	0.474	33%	0.332	S	S	.	.	S	Bend	trans	80.8	0.5	-179.5	0	0	0	0	0	115.3	L520 R521 P522	L520-G524 VanDerWaalsContact CD1-O 3.28Å; L520-G524 WeakPolarHBondContact CD1-O 3.3Å; R521-G524 PolarHBondContact O-N 3.46Å; P522-G524 VanDerWaalsContact C-N 3.28Å; P522-G524 PolarHBondContact O-N 3.41Å
525	S	89.1	Confident	92.6	Very high	44 Å²	44	58.2 Å²	58.2	31%	0.308	32%	0.324	S	S	.	.			trans	-82.4	145.5	175.6	66.5	0	0	0	0	111.9	R521 N523	R521-S525 WeakPolarHBondContact CB-O 3.22Å; R521-S525 PolarHBondContact N-O 3.5Å; N523-S525 VanDerWaalsContact C-N 3.31Å; N523-S525 PolarHBondContact ND2-OG 2.94Å; N523-S525 PolarHBondContact O-N 2.88Å; N523-S525 WeakPolarHBondContact OD1-CB 3.46Å; N523-S525 PolarHBondContact OD1-N 2.74Å; N523-S525 PolarHBondContact OD1-OG 2.86Å
526	Y	93.4	Very high	92.7	Very high	27 Å²	27	59.6 Å²	59.6	11%	0.106	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	134.5	174.6	-79	-105	0	0	0	110.9	Y518 L520 L626 M629 L754 L755	Y518-Y526 AromaticContact CD2-CD1 3.98Å; Y518-Y526 HydrophobicContact CD2-CD1 3.98Å; Y518-Y526 HydrophobicContact CD2-CE1 4.09Å; Y518-Y526 HydrophobicContact CE2-CE1 4.31Å; L520-Y526 HydrophobicContact CD1-CD2 3.85Å; L520-Y526 HydrophobicContact CD1-CE2 3.61Å; L520-Y526 HydrophobicContact CD1-CG 4.42Å; Y526-L626 HydrophobicContact CD1-CD2 4.02Å; Y526-L626 HydrophobicContact CD2-CD2 3.53Å; Y526-L626 HydrophobicContact CE2-CD2 4.15Å; Y526-L626 HydrophobicContact CG-CD2 3.47Å; Y526-L626 VanDerWaalsContact CG-CD2 3.47Å; Y526-M629 HydrophobicContact CD1-CE 3.91Å; Y526-M629 HydrophobicContact CE1-CE 3.66Å; Y526-L754 HydrophobicContact CE2-CD2 3.93Å; Y526-L754 WeakPolarHBondContact OH-CA 3.27Å; Y526-L754 WeakPolarHBondContact OH-CB 3.19Å; Y526-L754 WeakPolarHBondContact OH-CD2 3.44Å; Y526-L755 HydrophobicContact CE1-CB 4.4Å; Y526-L755 HydrophobicContact CE1-CD1 3.97Å; Y526-L755 HydrophobicContact CE1-CG 3.97Å; Y526-L755 PolarHBondContact OH-N 2.78Å
527	E	92.4	Very high	92.7	Very high	78 Å²	78	58 Å²	58	36%	0.364	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.1	169.9	178	161.9	-142.8	0	0	109.1	Y518 S519 R521	Y518-E527 CarbonylContact C-O 3.5Å; Y518-E527 WeakPolarHBondContact CA-O 3.15Å; Y518-E527 VanDerWaalsContact CB-O 3.3Å; Y518-E527 WeakPolarHBondContact CB-O 3.29Å; S519-E527 PolarHBondContact N-O 3.45Å; S519-E527 PolarHBondContact O-N 3.11Å; R521-E527 HydrophobicContact CG-CB 4.16Å; R521-E527 IonicContact CZ-OE1 2.72Å; R521-E527 IonicContact CZ-OE2 3.68Å; R521-E527 VanDerWaalsContact NE-CD 3.33Å; R521-E527 IonicContact NE-OE1 3.52Å; R521-E527 IonicContact NE-OE2 3.55Å; R521-E527 PolarHBondContact NE-OE2 3.23Å; R521-E527 IonicContact NH2-OE1 2.73Å; R521-E527 PolarHBondContact NH2-OE1 3.39Å; R521-E527 IonicContact NH2-OE2 3.59Å; R521-E527 PolarHBondContact NH2-OE2 3.49Å
528	F	90.5	Very high	92.7	Very high	23 Å²	23	53.3 Å²	53.3	10%	0.101	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.3	175.8	-62.8	-85.7	0	0	0	108.6	Y518 K622 R625 L626 M629	Y518-F528 HydrophobicContact CD1-CD1 4.25Å; Y518-F528 HydrophobicContact CD1-CE1 4.18Å; Y518-F528 HydrophobicContact CG-CD1 4.18Å; Y518-F528 HydrophobicContact CG-CE1 4.09Å; F528-K622 HydrophobicContact CD2-CB 4.33Å; F528-K622 HydrophobicContact CD2-CD 4.14Å; F528-K622 HydrophobicContact CD2-CG 3.85Å; F528-K622 HydrophobicContact CE2-CB 4.13Å; F528-K622 HydrophobicContact CE2-CG 4.17Å; F528-R625 HydrophobicContact CD1-CG 4.4Å; F528-R625 HydrophobicContact CE1-CG 3.49Å; F528-R625 VanDerWaalsContact CE1-CG 3.49Å; F528-R625 HydrophobicContact CZ-CB 4.34Å; F528-R625 HydrophobicContact CZ-CG 3.6Å; F528-L626 HydrophobicContact CE2-CD1 4.36Å; F528-L626 HydrophobicContact CE2-CD2 4.24Å; F528-L626 HydrophobicContact CE2-CG 4.06Å; F528-L626 HydrophobicContact CZ-CD2 3.81Å; F528-L626 HydrophobicContact CZ-CG 3.9Å; F528-M629 HydrophobicContact CE1-SD 3.86Å; F528-M629 HydrophobicContact CZ-SD 3.9Å
529	G	86.4	Confident	92.6	Very high	22 Å²	22	52.6 Å²	52.6	23%	0.227	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-63.3	148.1	178	0	0	0	0	0	112.3	N517	N517-G529 PolarHBondContact O-N 3.23Å
530	T	85.4	Confident	92.2	Very high	123 Å²	123	51.3 Å²	51.3	76%	0.755	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-68.4	150.2	169.8	51.8	0	0	0	0	110.1
531	C	94.8	Very high	91.6	Very high	8 Å²	8	53.4 Å²	53.4	5%	0.054	30%	0.295	C	S	.	.			trans	-137.6	118	178.1	-175.1	0	0	0	0	107.7	N563 Q617 L618	C531-N563 HydrophobicContact CB-CB 3.67Å; C531-N563 VanDerWaalsContact CB-CG 3.49Å; C531-N563 PolarHBondContact SG-N 3.38Å; C531-Q617 WeakPolarHBondContact O-CA 3.45Å; C531-L618 HydrophobicContact CB-CB 4.21Å; C531-L618 HydrophobicContact CB-CD1 4.44Å; C531-L618 VanDerWaalsContact O-CD1 3.31Å; C531-L618 WeakPolarHBondContact O-CD1 3.18Å; C531-L618 PolarHBondContact O-N 2.74Å
532	E	96.3	Very high	91.1	Very high	101 Å²	101	53.8 Å²	53.8	47%	0.472	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	140.9	169.8	-51	-163.8	146	0	0	108.3	R561 V616 Q617	E532-R561 VanDerWaalsContact O-CD 3.23Å; E532-R561 WeakPolarHBondContact O-CD 3.47Å; E532-R561 WeakPolarHBondContact O-CG 3.32Å; E532-V616 CarbonylContact C-O 3.58Å; E532-V616 VanDerWaalsContact CA-O 3.29Å; E532-V616 WeakPolarHBondContact CA-O 3.29Å; E532-Q617 HydrophobicContact CG-CG 4.05Å; E532-Q617 PolarHBondContact OE1-NE2 2.93Å
533	A	97.4	Very high	90.7	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	162.6	-177.2	0	0	0	0	0	111.1	L559 D560 R561 V616 L618	A533-L559 HydrophobicContact CB-CB 4.1Å; A533-L559 HydrophobicContact CB-CD1 4.22Å; A533-L559 HydrophobicContact CB-CD2 4.32Å; A533-L559 HydrophobicContact CB-CG 4.46Å; A533-D560 VanDerWaalsContact CA-OD1 3.23Å; A533-D560 WeakPolarHBondContact CA-OD1 3.28Å; A533-D560 VanDerWaalsContact CB-OD1 3.29Å; A533-D560 WeakPolarHBondContact CB-OD1 3.38Å; A533-R561 HydrophobicContact CB-CG 3.87Å; A533-R561 WeakPolarHBondContact CB-O 3.44Å; A533-V616 HydrophobicContact CB-CG2 4.35Å; A533-V616 PolarHBondContact N-O 2.92Å; A533-V616 WeakPolarHBondContact O-CG2 3.43Å; A533-V616 PolarHBondContact O-N 2.68Å; A533-L618 HydrophobicContact CB-CD1 3.6Å
534	Q	97.9	Very high	90.7	Very high	75 Å²	75	45.6 Å²	45.6	35%	0.35	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	138.1	172.5	-174.9	170	47.1	0	0	110.9	L536 L559 D560 G613 D614	Q534-L536 PolarHBondContact O-N 3.47Å; Q534-L559 WeakPolarHBondContact O-CA 3.37Å; Q534-D560 PolarHBondContact N-OD1 2.81Å; Q534-D560 PolarHBondContact O-N 3.46Å; Q534-G613 PolarHBondContact NE2-O 3.18Å; Q534-D614 WeakPolarHBondContact CA-O 3.42Å
535	V	97.4	Very high	91.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	113.5	169.1	-177.7	0	0	0	0	109.8	L538 L557 L559 L610 G613 D614 V616	V535-L538 HydrophobicContact CG1-CD1 4.35Å; V535-L538 HydrophobicContact CG1-CD2 3.89Å; V535-L538 HydrophobicContact CG1-CG 3.84Å; V535-L557 HydrophobicContact CG2-CD1 4.28Å; V535-L559 HydrophobicContact CB-CD2 4.47Å; V535-L559 HydrophobicContact CG2-CD2 3.99Å; V535-L610 HydrophobicContact CG2-CD1 4.31Å; V535-L610 HydrophobicContact CG2-CG 4.49Å; V535-G613 PolarHBondContact O-N 2.93Å; V535-D614 HydrophobicContact CG2-CB 4.16Å; V535-D614 PolarHBondContact N-O 3.02Å; V535-V616 HydrophobicContact CG2-CG1 4.25Å
536	L	96.5	Very high	91.3	Very high	34 Å²	34	45.7 Å²	45.7	18%	0.178	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-37	180	-63.9	-173.7	0	0	0	112.8	V507 P508 Q534 L558 D560	V507-L536 HydrophobicContact CG1-CB 4.15Å; V507-L536 HydrophobicContact CG1-CD1 3.93Å; P508-L536 HydrophobicContact CG-CD1 4.24Å; Q534-L536 PolarHBondContact O-N 3.47Å; L536-L558 PolarHBondContact N-O 3.01Å; L536-D560 HydrophobicContact CD1-CB 3.92Å; L536-D560 HydrophobicContact CD2-CB 4.26Å; L536-D560 HydrophobicContact CG-CB 4.17Å
537	Q	96.1	Very high	91.2	Very high	16 Å²	16	47.8 Å²	47.8	8%	0.075	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	147.5	179.7	-171.5	64.3	-50.1	0	0	111.3	L502 Y539 L557 L558	L502-Q537 HydrophobicContact CD2-CB 4.28Å; L502-Q537 HydrophobicContact CD2-CG 4.18Å; Q537-Y539 HydrophobicContact CB-CE2 4.07Å; Q537-Y539 HydrophobicContact CG-CD2 4.24Å; Q537-Y539 HydrophobicContact CG-CE1 4.39Å; Q537-Y539 HydrophobicContact CG-CE2 3.46Å; Q537-Y539 VanDerWaalsContact CG-CE2 3.46Å; Q537-L557 WeakPolarHBondContact O-CA 3.48Å; Q537-L558 HydrophobicContact CB-CB 4.22Å; Q537-L558 HydrophobicContact CB-CD1 4.2Å; Q537-L558 HydrophobicContact CB-CG 4.36Å; Q537-L558 PolarHBondContact N-O 3.33Å; Q537-L558 PolarHBondContact O-N 3.3Å
538	L	94.5	Very high	91.3	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.1	175.2	-67.3	166	0	0	0	111.2	V535 A545 V546 V549 G556 L557 L610 I612	V535-L538 HydrophobicContact CG1-CD1 4.35Å; V535-L538 HydrophobicContact CG1-CD2 3.89Å; V535-L538 HydrophobicContact CG1-CG 3.84Å; L538-A545 WeakPolarHBondContact O-CA 3.5Å; L538-V546 HydrophobicContact CB-CG2 3.97Å; L538-V546 WeakPolarHBondContact CB-O 3.23Å; L538-V546 PolarHBondContact O-N 3.49Å; L538-V549 HydrophobicContact CB-CG1 4.39Å; L538-V549 HydrophobicContact CD1-CG2 4.34Å; L538-V549 HydrophobicContact CD2-CG2 4.36Å; L538-G556 CarbonylContact C-O 3.58Å; L538-G556 WeakPolarHBondContact CA-O 3.07Å; L538-L557 HydrophobicContact CD2-CB 3.57Å; L538-L610 VanDerWaalsContact CD1-O 3.25Å; L538-L610 WeakPolarHBondContact CD1-O 3.4Å; L538-L610 HydrophobicContact CD2-CD2 3.83Å; L538-L610 HydrophobicContact CD2-CG 4.33Å; L538-I612 HydrophobicContact CD1-CG1 4.42Å; L538-I612 HydrophobicContact CG-CG1 4.44Å
539	Y	93.1	Very high	91.4	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.2	178.4	-62.7	-88.3	0	0	0	109.9	L494 A498 L502 Q537 G543 T544 A545 C555 G556 L558 L601	L494-Y539 HydrophobicContact CD1-CE2 4.27Å; L494-Y539 HydrophobicContact CD2-CD1 3.87Å; L494-Y539 HydrophobicContact CD2-CD2 3.97Å; L494-Y539 HydrophobicContact CD2-CE1 3.62Å; L494-Y539 HydrophobicContact CD2-CE2 3.74Å; L494-Y539 HydrophobicContact CD2-CG 4.03Å; A498-Y539 HydrophobicContact CB-CE1 4.39Å; L502-Y539 WeakPolarHBondContact CD1-OH 3.12Å; Q537-Y539 HydrophobicContact CB-CE2 4.07Å; Q537-Y539 HydrophobicContact CG-CD2 4.24Å; Q537-Y539 HydrophobicContact CG-CE1 4.39Å; Q537-Y539 HydrophobicContact CG-CE2 3.46Å; Q537-Y539 VanDerWaalsContact CG-CE2 3.46Å; Y539-G543 WeakPolarHBondContact CD1-O 3.3Å; Y539-T544 CarbonylContact C-O 3.58Å; Y539-T544 VanDerWaalsContact CA-O 3.26Å; Y539-T544 WeakPolarHBondContact CA-O 3.49Å; Y539-A545 HydrophobicContact CD1-CB 4.1Å; Y539-A545 HydrophobicContact CE1-CB 3.87Å; Y539-C555 CarbonylContact O-C 3.57Å; Y539-C555 WeakPolarHBondContact O-CA 3.49Å; Y539-C555 VanDerWaalsContact O-CB 3.24Å; Y539-C555 WeakPolarHBondContact O-CB 3.47Å; Y539-G556 PolarHBondContact N-O 2.83Å; Y539-G556 PolarHBondContact O-N 3.38Å; Y539-L558 HydrophobicContact CE2-CD1 3.87Å; Y539-L558 HydrophobicContact CE2-CG 3.93Å; Y539-L601 HydrophobicContact CD2-CD1 4.24Å
540	T	88.6	Confident	91.3	Very high	31 Å²	31	46.1 Å²	46.1	19%	0.19	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	168.7	168	48.6	0	0	0	0	110.9	L492 D542 G543 T544 V546	L492-T540 WeakPolarHBondContact CD1-O 3.44Å; T540-D542 WeakPolarHBondContact CB-OD1 3.23Å; T540-D542 PolarHBondContact O-N 3.17Å; T540-D542 VanDerWaalsContact O-N 3.13Å; T540-D542 PolarHBondContact OG1-OD1 2.84Å; T540-G543 PolarHBondContact O-N 2.98Å; T540-T544 PolarHBondContact N-O 2.89Å; T540-T544 WeakPolarHBondContact OG1-CB 3.31Å; T540-T544 PolarHBondContact OG1-N 2.83Å; T540-T544 PolarHBondContact OG1-O 3.2Å; T540-T544 VanDerWaalsContact OG1-O 3.14Å; T540-V546 HydrophobicContact CG2-CG1 3.72Å; T540-V546 HydrophobicContact CG2-CG2 4.05Å
541	E	82.2	Confident	91.4	Very high	110 Å²	110	48.5 Å²	48.5	51%	0.514	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.8	-176.4	-172.9	167.9	-160.3	0	0	114.1	L492 G543 R554	L492-E541 WeakPolarHBondContact CD1-O 3.14Å; E541-G543 VanDerWaalsContact C-N 3.34Å; E541-R554 HydrophobicContact CB-CB 4.41Å; E541-R554 HydrophobicContact CG-CB 4.48Å; E541-R554 WeakPolarHBondContact OE1-CD 3.23Å; E541-R554 IonicContact OE1-CZ 3.72Å; E541-R554 IonicContact OE1-NE 2.81Å; E541-R554 IonicContact OE1-NH1 2.9Å; E541-R554 PolarHBondContact OE1-NH1 3.28Å
542	D	80	Confident	90.6	Very high	120 Å²	120	50.8 Å²	50.8	64%	0.642	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-1.7	174.7	61.5	-47.8	0	0	0	114.1	T540 T544	T540-D542 WeakPolarHBondContact CB-OD1 3.23Å; T540-D542 PolarHBondContact O-N 3.17Å; T540-D542 VanDerWaalsContact O-N 3.13Å; T540-D542 PolarHBondContact OG1-OD1 2.84Å; D542-T544 PolarHBondContact OD2-OG1 2.84Å
543	G	82.3	Confident	90	Very high	22 Å²	22	50.3 Å²	50.3	23%	0.227	30%	0.303	C	S	.	.	S	Bend	trans	90.7	4.9	179.2	0	0	0	0	0	114.9	Y539 T540 E541	Y539-G543 WeakPolarHBondContact CD1-O 3.3Å; T540-G543 PolarHBondContact O-N 2.98Å; E541-G543 VanDerWaalsContact C-N 3.34Å
544	T	86.8	Confident	89.5	Confident	73 Å²	73	55.7 Å²	55.7	45%	0.448	32%	0.323	S	S	.	.			trans	-77.6	128.2	179.4	-58.4	0	0	0	0	111	Y539 T540 D542	Y539-T544 CarbonylContact C-O 3.58Å; Y539-T544 VanDerWaalsContact CA-O 3.26Å; Y539-T544 WeakPolarHBondContact CA-O 3.49Å; T540-T544 PolarHBondContact N-O 2.89Å; T540-T544 WeakPolarHBondContact OG1-CB 3.31Å; T540-T544 PolarHBondContact OG1-N 2.83Å; T540-T544 PolarHBondContact OG1-O 3.2Å; T540-T544 VanDerWaalsContact OG1-O 3.14Å; D542-T544 PolarHBondContact OD2-OG1 2.84Å
545	A	91.1	Very high	89.2	Confident	52 Å²	52	52.3 Å²	52.3	43%	0.43	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	134.1	177	0	0	0	0	0	111.5	L538 Y539	L538-A545 WeakPolarHBondContact O-CA 3.5Å; Y539-A545 HydrophobicContact CD1-CB 4.1Å; Y539-A545 HydrophobicContact CE1-CB 3.87Å
546	V	93.1	Very high	89	Confident	39 Å²	39	52.3 Å²	52.3	24%	0.236	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	153.8	-176.9	-67.2	0	0	0	0	112	L538 T540 V549	L538-V546 HydrophobicContact CB-CG2 3.97Å; L538-V546 WeakPolarHBondContact CB-O 3.23Å; L538-V546 PolarHBondContact O-N 3.49Å; T540-V546 HydrophobicContact CG2-CG1 3.72Å; T540-V546 HydrophobicContact CG2-CG2 4.05Å; V546-V549 HydrophobicContact CG2-CG1 3.7Å
547	A	93.2	Very high	88.9	Confident	71 Å²	71	50.7 Å²	50.7	59%	0.587	30%	0.299	S	S	*	.	S	Bend	trans	-76.4	-26.2	177.1	0	0	0	0	0	113.4	Q611 I612	A547-Q611 WeakPolarHBondContact O-CA 3.27Å; A547-I612 PolarHBondContact O-N 2.83Å
548	S	94.1	Very high	88.9	Confident	61 Å²	61	50 Å²	50	43%	0.427	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	150	-179	62.4	0	0	0	0	111.3	L610	S548-L610 CarbonylContact C-O 3.58Å; S548-L610 WeakPolarHBondContact CA-O 3.33Å
549	V	91.8	Very high	89	Confident	1 Å²	1	50 Å²	50	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.7	172.3	-67.1	0	0	0	0	110.2	L538 V546 C555 A606 C609 L610	L538-V549 HydrophobicContact CB-CG1 4.39Å; L538-V549 HydrophobicContact CD1-CG2 4.34Å; L538-V549 HydrophobicContact CD2-CG2 4.36Å; V546-V549 HydrophobicContact CG2-CG1 3.7Å; V549-C555 HydrophobicContact CB-CB 4.21Å; V549-C555 HydrophobicContact CG1-CB 3.74Å; V549-C555 HydrophobicContact CG2-CB 4.08Å; V549-A606 HydrophobicContact CG2-CB 3.8Å; V549-C609 VanDerWaalsContact O-CA 3.27Å; V549-C609 WeakPolarHBondContact O-CA 3.42Å; V549-L610 HydrophobicContact CG2-CB 3.81Å; V549-L610 PolarHBondContact N-O 3.36Å; V549-L610 PolarHBondContact O-N 3.41Å; V549-L610 VanDerWaalsContact O-N 3.09Å
550	G	84.9	Confident	89.2	Confident	27 Å²	27	51.7 Å²	51.7	28%	0.278	31%	0.305	S	S	.	.			trans	-89	170.9	-176.1	0	0	0	0	0	113.9	G552 Q553	G550-G552 PolarHBondContact O-N 3.22Å; G550-Q553 WeakPolarHBondContact O-CB 3.33Å; G550-Q553 WeakPolarHBondContact O-CG 3.42Å; G550-Q553 PolarHBondContact O-N 2.96Å
551	K	87.1	Confident	89.7	Confident	173 Å²	173	55.5 Å²	55.5	75%	0.752	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	130.2	-179.9	170.1	160.5	-172	175.6	0	112.8	Q553 A606 P607	K551-Q553 VanDerWaalsContact C-N 3.29Å; K551-A606 CarbonylContact C-O 3.46Å; K551-A606 WeakPolarHBondContact CA-O 3.45Å; K551-P607 WeakPolarHBondContact CD-O 3.45Å; K551-P607 WeakPolarHBondContact CG-O 3.49Å
552	G	78	Confident	90.4	Very high	56 Å²	56	50.2 Å²	50.2	58%	0.577	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-2.7	177.6	0	0	0	0	0	114.6	G550 A606	G550-G552 PolarHBondContact O-N 3.22Å; G552-A606 PolarHBondContact N-O 3.42Å
553	Q	83.2	Confident	91.2	Very high	91 Å²	91	45 Å²	45	43%	0.425	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	140.8	-178.3	-65.2	-176.1	-32.6	0	0	111.4	G550 K551 A606	G550-Q553 WeakPolarHBondContact O-CB 3.33Å; G550-Q553 WeakPolarHBondContact O-CG 3.42Å; G550-Q553 PolarHBondContact O-N 2.96Å; K551-Q553 VanDerWaalsContact C-N 3.29Å; Q553-A606 PolarHBondContact O-N 3.47Å
554	R	87.6	Confident	91.8	Very high	114 Å²	114	43.9 Å²	43.9	43%	0.43	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	137.5	163.3	-64.1	-177	69.2	-161.6	2.9	108.3	E541 E603 A604 V605	E541-R554 HydrophobicContact CB-CB 4.41Å; E541-R554 HydrophobicContact CG-CB 4.48Å; E541-R554 WeakPolarHBondContact OE1-CD 3.23Å; E541-R554 IonicContact OE1-CZ 3.72Å; E541-R554 IonicContact OE1-NE 2.81Å; E541-R554 IonicContact OE1-NH1 2.9Å; E541-R554 PolarHBondContact OE1-NH1 3.28Å; R554-E603 IonicContact NH2-OE2 3.93Å; R554-A604 WeakPolarHBondContact CA-O 3.21Å; R554-V605 HydrophobicContact CG-CG2 4.34Å
555	C	91.1	Very high	92.3	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.027	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	157.7	-175.8	64.5	0	0	0	0	111.6	Y539 V549 E603 A604	Y539-C555 CarbonylContact O-C 3.57Å; Y539-C555 WeakPolarHBondContact O-CA 3.49Å; Y539-C555 VanDerWaalsContact O-CB 3.24Å; Y539-C555 WeakPolarHBondContact O-CB 3.47Å; V549-C555 HydrophobicContact CB-CB 4.21Å; V549-C555 HydrophobicContact CG1-CB 3.74Å; V549-C555 HydrophobicContact CG2-CB 4.08Å; C555-E603 WeakPolarHBondContact O-CA 3.47Å; C555-A604 PolarHBondContact N-O 3.37Å; C555-A604 PolarHBondContact O-N 3.26Å; C555-A604 PolarHBondContact SG-O 3.02Å
556	G	93.1	Very high	92.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	142.5	159.9	0	0	0	0	0	109.9	L538 Y539 H602	L538-G556 CarbonylContact C-O 3.58Å; L538-G556 WeakPolarHBondContact CA-O 3.07Å; Y539-G556 PolarHBondContact N-O 2.83Å; Y539-G556 PolarHBondContact O-N 3.38Å; G556-H602 CarbonylContact C-O 3.38Å; G556-H602 VanDerWaalsContact CA-O 3.3Å; G556-H602 WeakPolarHBondContact CA-O 3.36Å
557	L	94.7	Very high	92.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.4	168.9	69.5	144.1	0	0	0	111.7	V535 Q537 L538 L559 L578 H602 A604 L610	V535-L557 HydrophobicContact CG2-CD1 4.28Å; Q537-L557 WeakPolarHBondContact O-CA 3.48Å; L538-L557 HydrophobicContact CD2-CB 3.57Å; L557-L559 HydrophobicContact CD1-CD1 4.36Å; L557-L559 HydrophobicContact CD1-CD2 3.67Å; L557-L559 HydrophobicContact CD1-CG 4.04Å; L557-L578 HydrophobicContact CD1-CD1 3.6Å; L557-L578 HydrophobicContact CD2-CD1 4.02Å; L557-L578 HydrophobicContact CG-CD1 4.42Å; L557-H602 HydrophobicContact CD2-CB 3.93Å; L557-H602 HydrophobicContact CG-CB 4.03Å; L557-H602 PolarHBondContact N-O 2.94Å; L557-H602 PolarHBondContact O-N 3.31Å; L557-H602 PolarHBondContact O-ND1 3.01Å; L557-A604 HydrophobicContact CD2-CB 3.47Å; L557-A604 VanDerWaalsContact CD2-CB 3.47Å; L557-L610 HydrophobicContact CD1-CD2 4.31Å
558	L	96.6	Very high	91.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.2	170.3	-58.8	-174.1	0	0	0	109.3	L494 L502 L536 Q537 Y539 F599 I600 L601	L494-L558 HydrophobicContact CD1-CD1 4.1Å; L494-L558 HydrophobicContact CD1-CD2 4.3Å; L502-L558 HydrophobicContact CD1-CD1 3.54Å; L502-L558 HydrophobicContact CD2-CD1 3.95Å; L502-L558 HydrophobicContact CG-CD1 4.41Å; L536-L558 PolarHBondContact N-O 3.01Å; Q537-L558 HydrophobicContact CB-CB 4.22Å; Q537-L558 HydrophobicContact CB-CD1 4.2Å; Q537-L558 HydrophobicContact CB-CG 4.36Å; Q537-L558 PolarHBondContact N-O 3.33Å; Q537-L558 PolarHBondContact O-N 3.3Å; Y539-L558 HydrophobicContact CE2-CD1 3.87Å; Y539-L558 HydrophobicContact CE2-CG 3.93Å; L558-F599 HydrophobicContact CD1-CB 4.23Å; L558-F599 HydrophobicContact CD1-CD1 4.04Å; L558-F599 HydrophobicContact CD1-CG 4.16Å; L558-F599 HydrophobicContact CD2-CB 3.99Å; L558-I600 WeakPolarHBondContact CD2-O 3.3Å; L558-L601 HydrophobicContact CD2-CB 4.17Å; L558-L601 HydrophobicContact CD2-CD1 3.88Å
559	L	97.5	Very high	91.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	154.6	179.8	-61.3	176.3	0	0	0	109.7	T510 A533 Q534 V535 L557 R561 L578 V616 L618	T510-L559 WeakPolarHBondContact CB-O 3.33Å; T510-L559 VanDerWaalsContact CG2-O 3.31Å; T510-L559 WeakPolarHBondContact CG2-O 3.48Å; T510-L559 PolarHBondContact OG1-O 3.44Å; A533-L559 HydrophobicContact CB-CB 4.1Å; A533-L559 HydrophobicContact CB-CD1 4.22Å; A533-L559 HydrophobicContact CB-CD2 4.32Å; A533-L559 HydrophobicContact CB-CG 4.46Å; Q534-L559 WeakPolarHBondContact O-CA 3.37Å; V535-L559 HydrophobicContact CB-CD2 4.47Å; V535-L559 HydrophobicContact CG2-CD2 3.99Å; L557-L559 HydrophobicContact CD1-CD1 4.36Å; L557-L559 HydrophobicContact CD1-CD2 3.67Å; L557-L559 HydrophobicContact CD1-CG 4.04Å; L559-R561 VanDerWaalsContact C-N 3.28Å; L559-R561 WeakPolarHBondContact CB-O 3.28Å; L559-L578 HydrophobicContact CD1-CD2 4.38Å; L559-V616 HydrophobicContact CD1-CG2 4.48Å; L559-V616 HydrophobicContact CD2-CG2 3.85Å; L559-L618 HydrophobicContact CD1-CD1 4.25Å; L559-L618 HydrophobicContact CD1-CD2 3.63Å; L559-L618 HydrophobicContact CD1-CG 4.22Å
560	D	97.3	Very high	91.1	Very high	40 Å²	40	39 Å²	39	21%	0.214	21%	0.207	C	C	.	.	S	Bend	trans	-65.5	-34.5	172.2	73.5	-48.3	0	0	0	111.5	D511 A533 Q534 L536	D511-D560 PolarHBondContact N-O 2.94Å; A533-D560 VanDerWaalsContact CA-OD1 3.23Å; A533-D560 WeakPolarHBondContact CA-OD1 3.28Å; A533-D560 VanDerWaalsContact CB-OD1 3.29Å; A533-D560 WeakPolarHBondContact CB-OD1 3.38Å; Q534-D560 PolarHBondContact N-OD1 2.81Å; Q534-D560 PolarHBondContact O-N 3.46Å; L536-D560 HydrophobicContact CD1-CB 3.92Å; L536-D560 HydrophobicContact CD2-CB 4.26Å; L536-D560 HydrophobicContact CG-CB 4.17Å
561	R	97.5	Very high	91.5	Very high	111 Å²	111	37.7 Å²	37.7	42%	0.419	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-147.2	160.6	175.5	69.4	-173.6	74.5	-167.5	-5.3	112.9	D511 P514 E532 A533 L559	D511-R561 HydrophobicContact CB-CB 3.94Å; D511-R561 CarbonylContact O-C 3.23Å; D511-R561 WeakPolarHBondContact O-CA 3.46Å; D511-R561 WeakPolarHBondContact O-CB 3.36Å; P514-R561 HydrophobicContact CG-CB 4.49Å; E532-R561 VanDerWaalsContact O-CD 3.23Å; E532-R561 WeakPolarHBondContact O-CD 3.47Å; E532-R561 WeakPolarHBondContact O-CG 3.32Å; A533-R561 HydrophobicContact CB-CG 3.87Å; A533-R561 WeakPolarHBondContact CB-O 3.44Å; L559-R561 VanDerWaalsContact C-N 3.28Å; L559-R561 WeakPolarHBondContact CB-O 3.28Å
562	T	97.6	Very high	91.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.			trans	-154.4	144.3	177.6	-174.1	0	0	0	0	113.8	T510 D511 P514 F564 I600 H602 L618	T510-T562 HydrophobicContact CG2-CG2 3.84Å; D511-T562 PolarHBondContact O-N 2.81Å; P514-T562 WeakPolarHBondContact CD-O 3.34Å; T562-F564 WeakPolarHBondContact OG1-CB 3.41Å; T562-F564 PolarHBondContact OG1-N 2.9Å; T562-I600 HydrophobicContact CG2-CB 4.05Å; T562-I600 HydrophobicContact CG2-CG1 3.94Å; T562-I600 HydrophobicContact CG2-CG2 4.09Å; T562-H602 WeakPolarHBondContact CB-NE2 3.41Å; T562-H602 PolarHBondContact OG1-NE2 2.98Å; T562-L618 WeakPolarHBondContact OG1-CD2 3.48Å
563	N	96.6	Very high	92.5	Very high	9 Å²	9	28 Å²	28	5%	0.048	14%	0.139	C	C	.	.			trans	-92.8	-1.9	167.7	65.3	-6.9	0	0	0	113.1	P514 K515 C531 L618 R625	P514-N563 HydrophobicContact CB-CB 4.12Å; K515-N563 WeakPolarHBondContact CA-O 3.15Å; K515-N563 WeakPolarHBondContact CB-O 3.3Å; C531-N563 HydrophobicContact CB-CB 3.67Å; C531-N563 VanDerWaalsContact CB-CG 3.49Å; C531-N563 PolarHBondContact SG-N 3.38Å; N563-L618 PolarHBondContact ND2-O 2.92Å; N563-L618 VanDerWaalsContact ND2-O 3.14Å; N563-L618 WeakPolarHBondContact OD1-CB 3.26Å; N563-R625 PolarHBondContact O-NH2 3.12Å
564	F	95.9	Very high	92.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-74	132.7	173.9	-77.2	-116.3	0	0	0	110.1	T562 A566 D574 V590 A593 L618 V620	T562-F564 WeakPolarHBondContact OG1-CB 3.41Å; T562-F564 PolarHBondContact OG1-N 2.9Å; F564-A566 PolarHBondContact O-N 2.68Å; F564-D574 HydrophobicContact CB-CB 4.48Å; F564-D574 HydrophobicContact CD1-CB 3.84Å; F564-D574 HydrophobicContact CG-CB 4.43Å; F564-V590 HydrophobicContact CD1-CG1 4.03Å; F564-V590 HydrophobicContact CE1-CB 3.72Å; F564-V590 HydrophobicContact CE1-CG1 3.64Å; F564-V590 HydrophobicContact CE1-CG2 4.34Å; F564-V590 HydrophobicContact CZ-CB 4.03Å; F564-V590 HydrophobicContact CZ-CG1 4.32Å; F564-V590 HydrophobicContact CZ-CG2 4.21Å; F564-A593 HydrophobicContact CB-CB 4.22Å; F564-L618 HydrophobicContact CD2-CB 4.25Å; F564-L618 HydrophobicContact CD2-CD2 3.78Å; F564-L618 HydrophobicContact CE2-CB 3.91Å; F564-L618 HydrophobicContact CE2-CD2 4.07Å; F564-L618 HydrophobicContact CE2-CG 4.39Å; F564-V620 HydrophobicContact CD1-CG1 4.32Å; F564-V620 HydrophobicContact CD2-CG1 3.78Å; F564-V620 HydrophobicContact CE1-CG1 4.44Å; F564-V620 HydrophobicContact CE2-CG1 3.9Å; F564-V620 HydrophobicContact CG-CG1 4Å; F564-V620 HydrophobicContact CZ-CG1 4.24Å
565	Y	96.3	Very high	92.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-78.1	117.4	167.2	-173.3	-92	0	0	0	108.3	K515 Q568 Q571 S573 D574 C750 T752	K515-Y565 HydrophobicContact CD-CD2 4.09Å; Y565-Q568 HydrophobicContact CE1-CG 3.91Å; Y565-Q568 HydrophobicContact CE2-CG 4.08Å; Y565-Q568 VanDerWaalsContact CZ-CG 3.46Å; Y565-Q568 WeakPolarHBondContact OH-CG 3.22Å; Y565-Q568 PolarHBondContact OH-O 2.93Å; Y565-Q571 HydrophobicContact CD1-CB 4.42Å; Y565-Q571 HydrophobicContact CD1-CG 3.82Å; Y565-Q571 HydrophobicContact CE1-CB 3.55Å; Y565-Q571 HydrophobicContact CE1-CG 3.44Å; Y565-Q571 VanDerWaalsContact CE1-CG 3.44Å; Y565-S573 CarbonylContact O-C 3.49Å; Y565-S573 VanDerWaalsContact O-CA 3.29Å; Y565-S573 WeakPolarHBondContact O-CA 3.05Å; Y565-D574 WeakPolarHBondContact CA-OD2 3.19Å; Y565-D574 WeakPolarHBondContact CB-OD2 3.46Å; Y565-D574 PolarHBondContact N-OD2 2.91Å; Y565-D574 PolarHBondContact O-N 3.1Å; Y565-C750 WeakPolarHBondContact CE2-O 3.33Å; Y565-T752 HydrophobicContact CD2-CG2 3.81Å; Y565-T752 HydrophobicContact CE2-CG2 4.46Å; Y565-T752 HydrophobicContact CG-CG2 4.41Å
566	A	93.6	Very high	92.8	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.008	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-76.3	149.6	170.6	0	0	0	0	0	110.7	F564 Q568 A593 V595 I600	F564-A566 PolarHBondContact O-N 2.68Å; A566-Q568 WeakPolarHBondContact O-CG 3.39Å; A566-Q568 PolarHBondContact O-N 3.34Å; A566-A593 VanDerWaalsContact CA-O 3.29Å; A566-A593 WeakPolarHBondContact CA-O 3.49Å; A566-A593 HydrophobicContact CB-CB 4.25Å; A566-V595 HydrophobicContact CB-CG2 3.62Å; A566-I600 HydrophobicContact CB-CD1 3.85Å; A566-I600 HydrophobicContact CB-CG2 4.04Å
567	E	88.8	Confident	92.6	Very high	100 Å²	100	27.9 Å²	27.9	47%	0.467	14%	0.14	S	C	.	.	B	Isolated β-bridge	trans	-58.1	112.2	179.3	-175.4	175.3	-177.4	0	0	111	Q571 A593	E567-Q571 WeakPolarHBondContact CA-O 3.44Å; E567-A593 PolarHBondContact N-O 2.85Å
568	Q	87.7	Confident	92.3	Very high	45 Å²	45	27.9 Å²	27.9	21%	0.21	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-163.1	157.2	-179.3	68.8	-173.3	30.2	0	0	110.7	Y565 A566 G570 Q571 C750	Y565-Q568 HydrophobicContact CE1-CG 3.91Å; Y565-Q568 HydrophobicContact CE2-CG 4.08Å; Y565-Q568 VanDerWaalsContact CZ-CG 3.46Å; Y565-Q568 WeakPolarHBondContact OH-CG 3.22Å; Y565-Q568 PolarHBondContact OH-O 2.93Å; A566-Q568 WeakPolarHBondContact O-CG 3.39Å; A566-Q568 PolarHBondContact O-N 3.34Å; Q568-G570 PolarHBondContact O-N 3.2Å; Q568-G570 VanDerWaalsContact O-N 3.16Å; Q568-Q571 PolarHBondContact N-O 3.43Å; Q568-Q571 PolarHBondContact O-N 3.43Å; Q568-Q571 VanDerWaalsContact O-N 3.07Å; Q568-C750 PolarHBondContact NE2-SG 3.39Å
569	G	82.4	Confident	91.7	Very high	25 Å²	25	28.1 Å²	28.1	26%	0.258	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	26.5	175.6	0	0	0	0	0	114.6	Q571	G569-Q571 VanDerWaalsContact C-N 3.26Å; G569-Q571 PolarHBondContact O-N 2.95Å
570	G	86.1	Confident	91.4	Very high	22 Å²	22	29.8 Å²	29.8	23%	0.227	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	-9.2	-176.1	0	0	0	0	0	115.2	Q568 S655 H656 L657	Q568-G570 PolarHBondContact O-N 3.2Å; Q568-G570 VanDerWaalsContact O-N 3.16Å; G570-S655 WeakPolarHBondContact CA-O 3.21Å; G570-H656 CarbonylContact O-C 3.54Å; G570-H656 VanDerWaalsContact O-CA 3.27Å; G570-H656 WeakPolarHBondContact O-CA 3.36Å; G570-L657 PolarHBondContact O-N 3.28Å
571	Q	93.1	Very high	90.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-85.2	129.9	175.1	172.3	177.1	-29.2	0	0	111.2	Y565 E567 Q568 G569 C628 H632 L657 T752	Y565-Q571 HydrophobicContact CD1-CB 4.42Å; Y565-Q571 HydrophobicContact CD1-CG 3.82Å; Y565-Q571 HydrophobicContact CE1-CB 3.55Å; Y565-Q571 HydrophobicContact CE1-CG 3.44Å; Y565-Q571 VanDerWaalsContact CE1-CG 3.44Å; E567-Q571 WeakPolarHBondContact CA-O 3.44Å; Q568-Q571 PolarHBondContact N-O 3.43Å; Q568-Q571 PolarHBondContact O-N 3.43Å; Q568-Q571 VanDerWaalsContact O-N 3.07Å; G569-Q571 VanDerWaalsContact C-N 3.26Å; G569-Q571 PolarHBondContact O-N 2.95Å; Q571-C628 HydrophobicContact CG-CB 4.28Å; Q571-H632 PolarHBondContact OE1-ND1 3Å; Q571-L657 HydrophobicContact CB-CD1 3.73Å; Q571-L657 HydrophobicContact CB-CG 4.11Å; Q571-L657 HydrophobicContact CG-CD1 3.71Å; Q571-T752 PolarHBondContact NE2-OG1 3.18Å; Q571-T752 PolarHBondContact OE1-OG1 2.81Å
572	A	91.1	Very high	90	Very high	11 Å²	11	29.5 Å²	29.5	9%	0.091	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-60.2	148.4	173.3	0	0	0	0	0	111.8	W624 L657 N658	A572-W624 HydrophobicContact CB-CZ2 4.42Å; A572-L657 WeakPolarHBondContact CB-O 3.34Å; A572-L657 PolarHBondContact N-O 3.49Å; A572-N658 HydrophobicContact CB-CB 3.89Å
573	S	94.1	Very high	89.1	Confident	14 Å²	14	32.2 Å²	32.2	10%	0.098	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-60.3	155.6	176.8	69.1	0	0	0	0	111.6	Y565 R592 A593 W624	Y565-S573 CarbonylContact O-C 3.49Å; Y565-S573 VanDerWaalsContact O-CA 3.29Å; Y565-S573 WeakPolarHBondContact O-CA 3.05Å; S573-R592 WeakPolarHBondContact OG-CA 3.36Å; S573-R592 WeakPolarHBondContact OG-CB 3.24Å; S573-A593 WeakPolarHBondContact CB-O 3.45Å; S573-A593 PolarHBondContact OG-N 2.83Å; S573-W624 PolarHBondContact O-NE1 2.96Å
574	D	92	Very high	88	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-69.2	158.9	164.4	-69.4	-53.7	0	0	0	112.4	F564 Y565 V620 R625	F564-D574 HydrophobicContact CB-CB 4.48Å; F564-D574 HydrophobicContact CD1-CB 3.84Å; F564-D574 HydrophobicContact CG-CB 4.43Å; Y565-D574 WeakPolarHBondContact CA-OD2 3.19Å; Y565-D574 WeakPolarHBondContact CB-OD2 3.46Å; Y565-D574 PolarHBondContact N-OD2 2.91Å; Y565-D574 PolarHBondContact O-N 3.1Å; D574-V620 HydrophobicContact CB-CG1 4.46Å; D574-R625 IonicContact OD1-CZ 3.83Å; D574-R625 IonicContact OD1-NE 3.94Å; D574-R625 PolarHBondContact OD1-NE 2.7Å; D574-R625 IonicContact OD1-NH2 2.92Å; D574-R625 IonicContact OD2-CZ 3.01Å; D574-R625 IonicContact OD2-NE 3.55Å; D574-R625 PolarHBondContact OD2-NE 2.86Å; D574-R625 IonicContact OD2-NH2 3.89Å; D574-R625 PolarHBondContact OD2-NH2 3.23Å
575	R	87.9	Confident	87.2	Confident	105 Å²	105	44.8 Å²	44.8	40%	0.396	25%	0.251	S	S	.	.			trans	-121.8	163.6	164.5	68.2	-173.4	-168.9	-167.8	-0.3	108.9	V590 D621 W624	R575-V590 WeakPolarHBondContact CA-O 3.42Å; R575-D621 HydrophobicContact CG-CB 3.87Å; R575-D621 IonicContact CZ-OD2 2.96Å; R575-D621 VanDerWaalsContact CZ-OD2 3.28Å; R575-D621 IonicContact NE-OD2 2.71Å; R575-D621 PolarHBondContact NE-OD2 3.01Å; R575-D621 IonicContact NH2-OD2 3.67Å; R575-D621 PolarHBondContact NH2-OD2 2.92Å; R575-D621 WeakPolarHBondContact O-CB 3.48Å; R575-D621 PolarHBondContact O-N 3.19Å; R575-W624 HydrophobicContact CG-CB 4.29Å; R575-W624 HydrophobicContact CG-CD2 4.1Å; R575-W624 HydrophobicContact CG-CG 3.95Å; R575-W624 VanDerWaalsContact NH1-CZ3 3.33Å
576	G	88.6	Confident	86.1	Confident	15 Å²	15	45.4 Å²	45.4	16%	0.155	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.2	-144.5	-178.5	0	0	0	0	0	111.3	V590 H619	G576-V590 PolarHBondContact N-O 2.85Å; G576-V590 PolarHBondContact O-N 3.29Å; G576-H619 CarbonylContact C-O 3.53Å; G576-H619 VanDerWaalsContact CA-O 3.22Å; G576-H619 WeakPolarHBondContact CA-O 3.32Å
577	Y	88.5	Confident	85.6	Confident	87 Å²	87	49.4 Å²	49.4	34%	0.341	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	162.6	176.3	58.6	-89	0	0	0	111.6	V579 L587 F588 H619	Y577-V579 HydrophobicContact CD2-CG1 4.01Å; Y577-V579 HydrophobicContact CE2-CG1 4.05Å; Y577-L587 HydrophobicContact CD2-CB 4.35Å; Y577-L587 HydrophobicContact CD2-CD2 3.72Å; Y577-L587 HydrophobicContact CD2-CG 4.42Å; Y577-L587 HydrophobicContact CE2-CD2 3.76Å; Y577-L587 HydrophobicContact CG-CB 4.48Å; Y577-F588 CarbonylContact C-O 3.44Å; Y577-F588 WeakPolarHBondContact CA-O 3.31Å; Y577-F588 WeakPolarHBondContact CB-O 3.25Å; Y577-H619 HydrophobicContact CD1-CB 4.2Å; Y577-H619 HydrophobicContact CD2-CB 3.89Å; Y577-H619 AromaticContact CD2-CD2 3.91Å; Y577-H619 HydrophobicContact CE1-CB 3.8Å; Y577-H619 HydrophobicContact CE2-CB 3.46Å; Y577-H619 VanDerWaalsContact CE2-CB 3.46Å; Y577-H619 AromaticContact CE2-CD2 3.43Å; Y577-H619 VanDerWaalsContact CE2-CD2 3.43Å; Y577-H619 WeakPolarHBondContact CE2-CD2 3.5Å; Y577-H619 AromaticContact CE2-CG 3.48Å; Y577-H619 VanDerWaalsContact CE2-CG 3.48Å; Y577-H619 HydrophobicContact CG-CB 4.24Å; Y577-H619 VanDerWaalsContact CZ-CB 3.42Å; Y577-H619 AromaticContact CZ-CG 3.73Å; Y577-H619 PolarHBondContact N-O 3.32Å; Y577-H619 PolarHBondContact O-N 2.92Å
578	L	89.9	Confident	85.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	150.7	170	-42.2	157.1	0	0	0	108.3	L557 L559 F588 V590 V616 Q617 L618	L557-L578 HydrophobicContact CD1-CD1 3.6Å; L557-L578 HydrophobicContact CD2-CD1 4.02Å; L557-L578 HydrophobicContact CG-CD1 4.42Å; L559-L578 HydrophobicContact CD1-CD2 4.38Å; L578-F588 HydrophobicContact CB-CB 4.07Å; L578-F588 HydrophobicContact CD1-CB 4.37Å; L578-F588 PolarHBondContact N-O 3.12Å; L578-F588 PolarHBondContact O-N 2.99Å; L578-V590 HydrophobicContact CD1-CG2 3.87Å; L578-V590 HydrophobicContact CD2-CG2 4.1Å; L578-V590 HydrophobicContact CG-CG2 3.62Å; L578-V616 HydrophobicContact CB-CB 4.41Å; L578-Q617 CarbonylContact C-O 3.37Å; L578-Q617 VanDerWaalsContact CA-O 3.3Å; L578-Q617 WeakPolarHBondContact CA-O 3.33Å; L578-L618 HydrophobicContact CD2-CB 4.32Å; L578-L618 HydrophobicContact CD2-CD1 4.49Å; L578-L618 HydrophobicContact CD2-CD2 4.06Å; L578-L618 HydrophobicContact CD2-CG 3.57Å
579	V	84.3	Confident	85.2	Confident	6 Å²	6	45.6 Å²	45.6	4%	0.036	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.8	164.7	-63.5	0	0	0	0	108.7	Y577 L587 V616 Q617	Y577-V579 HydrophobicContact CD2-CG1 4.01Å; Y577-V579 HydrophobicContact CE2-CG1 4.05Å; V579-L587 HydrophobicContact CG1-CD2 3.47Å; V579-L587 VanDerWaalsContact CG1-CD2 3.47Å; V579-V616 CarbonylContact O-C 3.5Å; V579-V616 WeakPolarHBondContact O-CA 3.01Å; V579-Q617 HydrophobicContact CG2-CB 3.75Å; V579-Q617 HydrophobicContact CG2-CG 4.33Å; V579-Q617 PolarHBondContact N-O 2.73Å; V579-Q617 PolarHBondContact O-N 2.88Å
580	R	90.3	Very high	85.5	Confident	34 Å²	34	44.6 Å²	44.6	13%	0.128	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	138.1	173	-75.7	-178.4	-66.3	-161.9	-9.5	109.3	G582 Q583 F588 E608 C609 L610 Q615 V616	R580-G582 PolarHBondContact O-N 2.89Å; R580-Q583 HydrophobicContact CB-CB 4.31Å; R580-Q583 CarbonylContact O-C 3.6Å; R580-Q583 PolarHBondContact O-N 3.11Å; R580-F588 HydrophobicContact CG-CE2 4.02Å; R580-F588 HydrophobicContact CG-CZ 4.41Å; R580-E608 IonicContact CZ-OE2 2.78Å; R580-E608 IonicContact NH2-OE2 2.66Å; R580-E608 PolarHBondContact NH2-OE2 2.94Å; R580-C609 PolarHBondContact NH1-O 2.87Å; R580-L610 HydrophobicContact CG-CD1 4.46Å; R580-Q615 WeakPolarHBondContact CA-O 3.36Å; R580-V616 HydrophobicContact CG-CG1 4.23Å
581	V	85.6	Confident	85.3	Confident	68 Å²	68	46.8 Å²	46.8	41%	0.412	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	123.2	176.7	176.7	0	0	0	0	108.8	Q615 Q617	V581-Q615 HydrophobicContact CB-CB 3.99Å; V581-Q615 HydrophobicContact CG2-CB 3.82Å; V581-Q615 PolarHBondContact N-O 3.26Å; V581-Q617 HydrophobicContact CG2-CG 3.81Å
582	G	79.6	Confident	85	Confident	78 Å²	78	49.2 Å²	49.2	80%	0.804	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	-1.7	-175.7	0	0	0	0	0	115.6	R580	R580-G582 PolarHBondContact O-N 2.89Å
583	Q	78.6	Confident	85.1	Confident	56 Å²	56	48.7 Å²	48.7	26%	0.262	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	76.8	174.6	-169.5	-175.3	-1.9	0	0	110.3	R580 D585 V586 E608	R580-Q583 HydrophobicContact CB-CB 4.31Å; R580-Q583 CarbonylContact O-C 3.6Å; R580-Q583 PolarHBondContact O-N 3.11Å; Q583-D585 WeakPolarHBondContact CG-OD1 3.37Å; Q583-V586 HydrophobicContact CG-CG2 4.3Å; Q583-V586 VanDerWaalsContact NE2-CG2 3.25Å; Q583-E608 PolarHBondContact NE2-OE2 3.48Å
584	E	74.3	Confident	84.9	Confident	137 Å²	137	49.1 Å²	49.1	64%	0.64	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	-11.1	-173.6	-64.2	178.8	-169.7	0	0	114	V586	E584-V586 VanDerWaalsContact C-N 3.29Å; E584-V586 PolarHBondContact O-N 2.82Å
585	D	78.3	Confident	84.8	Confident	136 Å²	136	51.7 Å²	51.7	73%	0.727	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	-8.5	-179.2	61.1	-35.9	0	0	0	113.7	Q583	Q583-D585 WeakPolarHBondContact CG-OD1 3.37Å
586	V	74.3	Confident	84.7	Confident	14 Å²	14	46.7 Å²	46.7	9%	0.085	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	112	179.1	-178	0	0	0	0	110.8	Q583 E584 F588 P607 E608	Q583-V586 HydrophobicContact CG-CG2 4.3Å; Q583-V586 VanDerWaalsContact NE2-CG2 3.25Å; E584-V586 VanDerWaalsContact C-N 3.29Å; E584-V586 PolarHBondContact O-N 2.82Å; V586-F588 HydrophobicContact CB-CE2 4.39Å; V586-F588 HydrophobicContact CG1-CD2 4.31Å; V586-F588 HydrophobicContact CG1-CE2 3.72Å; V586-F588 HydrophobicContact CG1-CZ 4.1Å; V586-P607 HydrophobicContact CG1-CB 4.45Å; V586-P607 HydrophobicContact CG1-CG 3.57Å; V586-E608 HydrophobicContact CG1-CB 4.39Å; V586-E608 HydrophobicContact CG1-CG 4.02Å
587	L	81.4	Confident	84.3	Confident	85 Å²	85	46.4 Å²	46.4	45%	0.445	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.1	178.3	-49.6	-175.1	0	0	0	110.4	Y577 V579 P589 P607	Y577-L587 HydrophobicContact CD2-CB 4.35Å; Y577-L587 HydrophobicContact CD2-CD2 3.72Å; Y577-L587 HydrophobicContact CD2-CG 4.42Å; Y577-L587 HydrophobicContact CE2-CD2 3.76Å; Y577-L587 HydrophobicContact CG-CB 4.48Å; V579-L587 HydrophobicContact CG1-CD2 3.47Å; V579-L587 VanDerWaalsContact CG1-CD2 3.47Å; L587-P589 VanDerWaalsContact O-CD 3.26Å; L587-P589 WeakPolarHBondContact O-CD 3.35Å; L587-P607 WeakPolarHBondContact O-CG 3.35Å
588	F	84.1	Confident	84.2	Confident	1 Å²	1	43 Å²	43	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	99.3	171.3	-64.6	-104.9	0	0	0	108.3	Y577 L578 R580 V586 V590 A606 P607 E608 L610	Y577-F588 CarbonylContact C-O 3.44Å; Y577-F588 WeakPolarHBondContact CA-O 3.31Å; Y577-F588 WeakPolarHBondContact CB-O 3.25Å; L578-F588 HydrophobicContact CB-CB 4.07Å; L578-F588 HydrophobicContact CD1-CB 4.37Å; L578-F588 PolarHBondContact N-O 3.12Å; L578-F588 PolarHBondContact O-N 2.99Å; R580-F588 HydrophobicContact CG-CE2 4.02Å; R580-F588 HydrophobicContact CG-CZ 4.41Å; V586-F588 HydrophobicContact CB-CE2 4.39Å; V586-F588 HydrophobicContact CG1-CD2 4.31Å; V586-F588 HydrophobicContact CG1-CE2 3.72Å; V586-F588 HydrophobicContact CG1-CZ 4.1Å; F588-V590 PolarHBondContact O-N 3.25Å; F588-A606 HydrophobicContact CD1-CB 4.38Å; F588-A606 HydrophobicContact CE1-CB 4.39Å; F588-P607 HydrophobicContact CD1-CG 4.32Å; F588-P607 HydrophobicContact CE1-CG 4.34Å; F588-P607 HydrophobicContact CG-CG 4.45Å; F588-E608 HydrophobicContact CZ-CB 4.41Å; F588-L610 HydrophobicContact CD1-CB 4.49Å; F588-L610 HydrophobicContact CD1-CD1 4.43Å; F588-L610 HydrophobicContact CD1-CD2 4.42Å; F588-L610 HydrophobicContact CE1-CB 3.93Å; F588-L610 HydrophobicContact CE1-CD1 4.09Å; F588-L610 HydrophobicContact CE1-CG 4.45Å; F588-L610 HydrophobicContact CZ-CD1 4.34Å
589	P	84.8	Confident	84.3	Confident	63 Å²	63	43.2 Å²	43.2	41%	0.409	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	132.1	-174.3	-17.8	33.7	0	0	0	110.4	L587 A604 V605	L587-P589 VanDerWaalsContact O-CD 3.26Å; L587-P589 WeakPolarHBondContact O-CD 3.35Å; P589-A604 WeakPolarHBondContact O-CA 3.49Å; P589-A604 WeakPolarHBondContact O-CB 3.47Å; P589-V605 VanDerWaalsContact CD-O 3.29Å; P589-V605 WeakPolarHBondContact CD-O 3.4Å; P589-V605 PolarHBondContact O-N 2.98Å
590	V	88	Confident	84.8	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.024	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114	174.8	179.7	0	0	0	0	108.1	F564 R575 G576 L578 F588 H602 E603 A604	F564-V590 HydrophobicContact CD1-CG1 4.03Å; F564-V590 HydrophobicContact CE1-CB 3.72Å; F564-V590 HydrophobicContact CE1-CG1 3.64Å; F564-V590 HydrophobicContact CE1-CG2 4.34Å; F564-V590 HydrophobicContact CZ-CB 4.03Å; F564-V590 HydrophobicContact CZ-CG1 4.32Å; F564-V590 HydrophobicContact CZ-CG2 4.21Å; R575-V590 WeakPolarHBondContact CA-O 3.42Å; G576-V590 PolarHBondContact N-O 2.85Å; G576-V590 PolarHBondContact O-N 3.29Å; L578-V590 HydrophobicContact CD1-CG2 3.87Å; L578-V590 HydrophobicContact CD2-CG2 4.1Å; L578-V590 HydrophobicContact CG-CG2 3.62Å; F588-V590 PolarHBondContact O-N 3.25Å; V590-H602 HydrophobicContact CG1-CB 4.15Å; V590-E603 CarbonylContact C-O 3.56Å; V590-E603 WeakPolarHBondContact CA-O 3.32Å; V590-A604 HydrophobicContact CG2-CB 4.3Å
591	A	83.1	Confident	85	Confident	68 Å²	68	41.6 Å²	41.6	56%	0.562	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	-36.5	-177.3	0	0	0	0	0	112.2	E603	A591-E603 PolarHBondContact N-O 3.5Å
592	R	87.1	Confident	85.4	Confident	51 Å²	51	38.3 Å²	38.3	19%	0.192	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	162.3	-178.9	65.1	180	-161.4	-179.5	6.2	112.4	Q490 S573 E603	Q490-R592 PolarHBondContact O-NH1 2.91Å; Q490-R592 PolarHBondContact O-NH2 3.46Å; Q490-R592 VanDerWaalsContact O-NH2 3.13Å; S573-R592 WeakPolarHBondContact OG-CA 3.36Å; S573-R592 WeakPolarHBondContact OG-CB 3.24Å; R592-E603 HydrophobicContact CG-CB 3.81Å; R592-E603 HydrophobicContact CG-CG 3.91Å; R592-E603 IonicContact CZ-OE1 3.81Å; R592-E603 IonicContact CZ-OE2 2.86Å; R592-E603 IonicContact NE-OE1 3.97Å; R592-E603 PolarHBondContact NE-OE1 2.87Å; R592-E603 IonicContact NE-OE2 3.32Å; R592-E603 PolarHBondContact NE-OE2 3.49Å; R592-E603 IonicContact NH2-OE1 2.7Å; R592-E603 PolarHBondContact NH2-OE1 3.37Å; R592-E603 IonicContact NH2-OE2 3.93Å; R592-E603 PolarHBondContact O-N 3.05Å
593	A	92	Very high	86	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.2	172.1	0	0	0	0	0	110.3	F564 A566 E567 S573 I600 L601	F564-A593 HydrophobicContact CB-CB 4.22Å; A566-A593 VanDerWaalsContact CA-O 3.29Å; A566-A593 WeakPolarHBondContact CA-O 3.49Å; A566-A593 HydrophobicContact CB-CB 4.25Å; E567-A593 PolarHBondContact N-O 2.85Å; S573-A593 WeakPolarHBondContact CB-O 3.45Å; S573-A593 PolarHBondContact OG-N 2.83Å; A593-I600 HydrophobicContact CB-CG2 3.99Å; A593-L601 CarbonylContact C-O 3.48Å; A593-L601 VanDerWaalsContact CA-O 3.31Å; A593-L601 WeakPolarHBondContact CA-O 3.44Å
594	Q	91.1	Very high	86.5	Confident	23 Å²	23	32.7 Å²	32.7	11%	0.107	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147.7	-176.5	-64.4	-171.1	-15.2	0	0	111.8	I600 L601	Q594-I600 CarbonylContact O-C 3.45Å; Q594-I600 WeakPolarHBondContact O-CA 3.44Å; Q594-L601 PolarHBondContact N-O 3.37Å; Q594-L601 PolarHBondContact O-N 2.99Å
595	V	88.6	Confident	87	Confident	54 Å²	54	28.9 Å²	28.9	33%	0.327	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.4	174.4	-175.6	0	0	0	0	109.4	A566 I600	A566-V595 HydrophobicContact CB-CG2 3.62Å; V595-I600 HydrophobicContact CG2-CD1 3.92Å
596	C	87.4	Confident	87.3	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	97.7	176.6	-58.6	0	0	0	0	109.5	L494 L499 G598 F599	L494-C596 HydrophobicContact CB-CB 4.24Å; L494-C596 HydrophobicContact CD1-CB 4.18Å; L494-C596 HydrophobicContact CG-CB 4.34Å; L499-C596 HydrophobicContact CD2-CB 4.34Å; C596-G598 VanDerWaalsContact C-N 3.32Å; C596-G598 PolarHBondContact O-N 2.82Å; C596-F599 PolarHBondContact N-O 3.37Å; C596-F599 WeakPolarHBondContact O-CB 3.37Å; C596-F599 WeakPolarHBondContact O-CD2 3.09Å; C596-F599 PolarHBondContact O-N 3.47Å
597	G	79.9	Confident	87.4	Confident	8 Å²	8	23.8 Å²	23.8	8%	0.082	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	39.1	173.6	0	0	0	0	0	115.3	F599	G597-F599 VanDerWaalsContact C-N 3.34Å
598	G	85.5	Confident	87.7	Confident	15 Å²	15	23.2 Å²	23.2	16%	0.155	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	-10	-175.7	0	0	0	0	0	115.1	T510 C596	T510-G598 PolarHBondContact N-O 2.94Å; C596-G598 VanDerWaalsContact C-N 3.32Å; C596-G598 PolarHBondContact O-N 2.82Å
599	F	92.4	Very high	88	Confident	5 Å²	5	26.2 Å²	26.2	2%	0.022	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	154	172	-57	-83.2	0	0	0	111.4	L499 L502 V507 P508 L558 C596 G597	L499-F599 HydrophobicContact CD2-CD2 3.87Å; L499-F599 HydrophobicContact CD2-CE2 4.25Å; L502-F599 HydrophobicContact CB-CE2 4.02Å; L502-F599 HydrophobicContact CB-CZ 3.77Å; L502-F599 HydrophobicContact CD1-CD1 4.42Å; L502-F599 HydrophobicContact CD1-CD2 3.86Å; L502-F599 HydrophobicContact CD1-CE1 4.27Å; L502-F599 HydrophobicContact CD1-CE2 3.71Å; L502-F599 HydrophobicContact CD1-CG 4.23Å; L502-F599 HydrophobicContact CD1-CZ 3.93Å; L502-F599 HydrophobicContact CG-CZ 4.4Å; V507-F599 HydrophobicContact CB-CE1 4.34Å; V507-F599 HydrophobicContact CG1-CE1 3.96Å; P508-F599 VanDerWaalsContact O-CE1 3.28Å; P508-F599 WeakPolarHBondContact O-CE1 3.19Å; L558-F599 HydrophobicContact CD1-CB 4.23Å; L558-F599 HydrophobicContact CD1-CD1 4.04Å; L558-F599 HydrophobicContact CD1-CG 4.16Å; L558-F599 HydrophobicContact CD2-CB 3.99Å; C596-F599 PolarHBondContact N-O 3.37Å; C596-F599 WeakPolarHBondContact O-CB 3.37Å; C596-F599 WeakPolarHBondContact O-CD2 3.09Å; C596-F599 PolarHBondContact O-N 3.47Å; G597-F599 VanDerWaalsContact C-N 3.34Å
600	I	94.5	Very high	88.4	Confident	5 Å²	5	23.3 Å²	23.3	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	109	168.7	-52.6	-57	0	0	0	109.5	T510 L558 T562 A566 A593 Q594 V595 H602	T510-I600 HydrophobicContact CG2-CB 4Å; T510-I600 HydrophobicContact CG2-CG1 3.83Å; T510-I600 PolarHBondContact OG1-N 2.89Å; T510-I600 VanDerWaalsContact OG1-N 3.15Å; L558-I600 WeakPolarHBondContact CD2-O 3.3Å; T562-I600 HydrophobicContact CG2-CB 4.05Å; T562-I600 HydrophobicContact CG2-CG1 3.94Å; T562-I600 HydrophobicContact CG2-CG2 4.09Å; A566-I600 HydrophobicContact CB-CD1 3.85Å; A566-I600 HydrophobicContact CB-CG2 4.04Å; A593-I600 HydrophobicContact CB-CG2 3.99Å; Q594-I600 CarbonylContact O-C 3.45Å; Q594-I600 WeakPolarHBondContact O-CA 3.44Å; V595-I600 HydrophobicContact CG2-CD1 3.92Å; I600-H602 PolarHBondContact O-CE1 3.22Å; I600-H602 PolarHBondContact O-ND1 3.08Å; I600-H602 VanDerWaalsContact O-ND1 3.09Å
601	L	94.8	Very high	88.7	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	113.7	175.4	-175	68.4	0	0	0	109.8	L492 L494 Y539 L558 A593 Q594	L492-L601 HydrophobicContact CB-CD2 4.2Å; L492-L601 HydrophobicContact CD2-CD1 4.06Å; L492-L601 HydrophobicContact CD2-CD2 3.96Å; L492-L601 HydrophobicContact CD2-CG 4.3Å; L492-L601 HydrophobicContact CG-CD2 3.97Å; L494-L601 HydrophobicContact CD2-CD1 4.36Å; L494-L601 HydrophobicContact CG-CD1 4.45Å; L494-L601 HydrophobicContact CG-CD2 4.3Å; Y539-L601 HydrophobicContact CD2-CD1 4.24Å; L558-L601 HydrophobicContact CD2-CB 4.17Å; L558-L601 HydrophobicContact CD2-CD1 3.88Å; A593-L601 CarbonylContact C-O 3.48Å; A593-L601 VanDerWaalsContact CA-O 3.31Å; A593-L601 WeakPolarHBondContact CA-O 3.44Å; Q594-L601 PolarHBondContact N-O 3.37Å; Q594-L601 PolarHBondContact O-N 2.99Å
602	H	94.7	Very high	89.3	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.3	174.7	-51.8	76.1	0	0	0	108.7	G556 L557 T562 V590 I600	G556-H602 CarbonylContact C-O 3.38Å; G556-H602 VanDerWaalsContact CA-O 3.3Å; G556-H602 WeakPolarHBondContact CA-O 3.36Å; L557-H602 HydrophobicContact CD2-CB 3.93Å; L557-H602 HydrophobicContact CG-CB 4.03Å; L557-H602 PolarHBondContact N-O 2.94Å; L557-H602 PolarHBondContact O-N 3.31Å; L557-H602 PolarHBondContact O-ND1 3.01Å; T562-H602 WeakPolarHBondContact CB-NE2 3.41Å; T562-H602 PolarHBondContact OG1-NE2 2.98Å; V590-H602 HydrophobicContact CG1-CB 4.15Å; I600-H602 PolarHBondContact O-CE1 3.22Å; I600-H602 PolarHBondContact O-ND1 3.08Å; I600-H602 VanDerWaalsContact O-ND1 3.09Å
603	E	91.9	Very high	89.8	Confident	12 Å²	12	27 Å²	27	6%	0.056	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	115.6	170.7	-71.1	-168.5	-170.2	0	0	110.4	L492 R554 C555 V590 A591 R592	L492-E603 WeakPolarHBondContact CA-OE1 3.19Å; L492-E603 HydrophobicContact CB-CG 4.15Å; L492-E603 VanDerWaalsContact CB-OE1 3.27Å; L492-E603 WeakPolarHBondContact CB-OE1 3.28Å; L492-E603 PolarHBondContact N-OE1 2.95Å; R554-E603 IonicContact NH2-OE2 3.93Å; C555-E603 WeakPolarHBondContact O-CA 3.47Å; V590-E603 CarbonylContact C-O 3.56Å; V590-E603 WeakPolarHBondContact CA-O 3.32Å; A591-E603 PolarHBondContact N-O 3.5Å; R592-E603 HydrophobicContact CG-CB 3.81Å; R592-E603 HydrophobicContact CG-CG 3.91Å; R592-E603 IonicContact CZ-OE1 3.81Å; R592-E603 IonicContact CZ-OE2 2.86Å; R592-E603 IonicContact NE-OE1 3.97Å; R592-E603 PolarHBondContact NE-OE1 2.87Å; R592-E603 IonicContact NE-OE2 3.32Å; R592-E603 PolarHBondContact NE-OE2 3.49Å; R592-E603 IonicContact NH2-OE1 2.7Å; R592-E603 PolarHBondContact NH2-OE1 3.37Å; R592-E603 IonicContact NH2-OE2 3.93Å; R592-E603 PolarHBondContact O-N 3.05Å
604	A	88.7	Confident	90	Very high	3 Å²	3	28.2 Å²	28.2	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	157.3	-178.1	0	0	0	0	0	112.4	R554 C555 L557 P589 V590	R554-A604 WeakPolarHBondContact CA-O 3.21Å; C555-A604 PolarHBondContact N-O 3.37Å; C555-A604 PolarHBondContact O-N 3.26Å; C555-A604 PolarHBondContact SG-O 3.02Å; L557-A604 HydrophobicContact CD2-CB 3.47Å; L557-A604 VanDerWaalsContact CD2-CB 3.47Å; P589-A604 WeakPolarHBondContact O-CA 3.49Å; P589-A604 WeakPolarHBondContact O-CB 3.47Å; V590-A604 HydrophobicContact CG2-CB 4.3Å
605	V	83.8	Confident	90.3	Very high	58 Å²	58	31.2 Å²	31.2	35%	0.352	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.3	164.9	-172.7	0	0	0	0	107.6	R554 P589 P607	R554-V605 HydrophobicContact CG-CG2 4.34Å; P589-V605 VanDerWaalsContact CD-O 3.29Å; P589-V605 WeakPolarHBondContact CD-O 3.4Å; P589-V605 PolarHBondContact O-N 2.98Å; V605-P607 WeakPolarHBondContact O-CD 3.2Å
606	A	86.3	Confident	90.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	99.9	-179.9	0	0	0	0	0	110.2	V549 K551 G552 Q553 F588 E608	V549-A606 HydrophobicContact CG2-CB 3.8Å; K551-A606 CarbonylContact C-O 3.46Å; K551-A606 WeakPolarHBondContact CA-O 3.45Å; G552-A606 PolarHBondContact N-O 3.42Å; Q553-A606 PolarHBondContact O-N 3.47Å; F588-A606 HydrophobicContact CD1-CB 4.38Å; F588-A606 HydrophobicContact CE1-CB 4.39Å; A606-E608 PolarHBondContact O-N 3.45Å
607	P	75.8	Confident	90.9	Very high	43 Å²	43	30.6 Å²	30.6	28%	0.279	17%	0.174	S	C	.	.	S	Bend	trans	-69.4	-22	176.1	31.8	-40.5	0	0	0	112.9	K551 V586 L587 F588 V605	K551-P607 WeakPolarHBondContact CD-O 3.45Å; K551-P607 WeakPolarHBondContact CG-O 3.49Å; V586-P607 HydrophobicContact CG1-CB 4.45Å; V586-P607 HydrophobicContact CG1-CG 3.57Å; L587-P607 WeakPolarHBondContact O-CG 3.35Å; F588-P607 HydrophobicContact CD1-CG 4.32Å; F588-P607 HydrophobicContact CE1-CG 4.34Å; F588-P607 HydrophobicContact CG-CG 4.45Å; V605-P607 WeakPolarHBondContact O-CD 3.2Å
608	E	87.6	Confident	91.5	Very high	73 Å²	73	30.4 Å²	30.4	34%	0.341	17%	0.171	S	C	.	.	S	Bend	trans	-136.2	174.7	175.5	-67	-163.5	169.3	0	0	109.7	R580 Q583 V586 F588 A606 L610	R580-E608 IonicContact CZ-OE2 2.78Å; R580-E608 IonicContact NH2-OE2 2.66Å; R580-E608 PolarHBondContact NH2-OE2 2.94Å; Q583-E608 PolarHBondContact NE2-OE2 3.48Å; V586-E608 HydrophobicContact CG1-CB 4.39Å; V586-E608 HydrophobicContact CG1-CG 4.02Å; F588-E608 HydrophobicContact CZ-CB 4.41Å; A606-E608 PolarHBondContact O-N 3.45Å; E608-L610 PolarHBondContact O-N 2.9Å
609	C	90.9	Very high	91.6	Very high	64 Å²	64	32.4 Å²	32.4	43%	0.432	18%	0.176	S	C	.	.			trans	-59.6	127.3	177.2	-170.8	0	0	0	0	110.6	V549 R580	V549-C609 VanDerWaalsContact O-CA 3.27Å; V549-C609 WeakPolarHBondContact O-CA 3.42Å; R580-C609 PolarHBondContact NH1-O 2.87Å
610	L	91.6	Very high	91.6	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.8	169.9	-172.5	71.7	0	0	0	107.7	V535 L538 S548 V549 L557 R580 F588 E608 D614 V616	V535-L610 HydrophobicContact CG2-CD1 4.31Å; V535-L610 HydrophobicContact CG2-CG 4.49Å; L538-L610 VanDerWaalsContact CD1-O 3.25Å; L538-L610 WeakPolarHBondContact CD1-O 3.4Å; L538-L610 HydrophobicContact CD2-CD2 3.83Å; L538-L610 HydrophobicContact CD2-CG 4.33Å; S548-L610 CarbonylContact C-O 3.58Å; S548-L610 WeakPolarHBondContact CA-O 3.33Å; V549-L610 HydrophobicContact CG2-CB 3.81Å; V549-L610 PolarHBondContact N-O 3.36Å; V549-L610 PolarHBondContact O-N 3.41Å; V549-L610 VanDerWaalsContact O-N 3.09Å; L557-L610 HydrophobicContact CD1-CD2 4.31Å; R580-L610 HydrophobicContact CG-CD1 4.46Å; F588-L610 HydrophobicContact CD1-CB 4.49Å; F588-L610 HydrophobicContact CD1-CD1 4.43Å; F588-L610 HydrophobicContact CD1-CD2 4.42Å; F588-L610 HydrophobicContact CE1-CB 3.93Å; F588-L610 HydrophobicContact CE1-CD1 4.09Å; F588-L610 HydrophobicContact CE1-CG 4.45Å; F588-L610 HydrophobicContact CZ-CD1 4.34Å; E608-L610 PolarHBondContact O-N 2.9Å; L610-D614 HydrophobicContact CD1-CB 4.26Å; L610-V616 HydrophobicContact CD1-CG1 4.44Å
611	Q	95.3	Very high	91.3	Very high	101 Å²	101	34.9 Å²	34.9	47%	0.472	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	158.6	-176.6	60.2	-176.1	-5	0	0	111.7	A547 G613 D614	A547-Q611 WeakPolarHBondContact O-CA 3.27Å; Q611-G613 PolarHBondContact O-N 3.26Å; Q611-D614 VanDerWaalsContact CG-CG 3.42Å; Q611-D614 WeakPolarHBondContact CG-OD1 3.31Å; Q611-D614 WeakPolarHBondContact CG-OD2 3.07Å; Q611-D614 PolarHBondContact N-OD2 3.12Å; Q611-D614 PolarHBondContact NE2-OD1 3.5Å; Q611-D614 WeakPolarHBondContact O-CB 3.44Å; Q611-D614 PolarHBondContact O-N 3.46Å
612	I	96.4	Very high	91	Very high	70 Å²	70	40.7 Å²	40.7	36%	0.359	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	136.7	171.8	-61.5	172	0	0	0	109.3	L538 A547	L538-I612 HydrophobicContact CD1-CG1 4.42Å; L538-I612 HydrophobicContact CG-CG1 4.44Å; A547-I612 PolarHBondContact O-N 2.83Å
613	G	96	Very high	90.7	Very high	31 Å²	31	44 Å²	44	32%	0.32	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.5	-13.6	-179.6	0	0	0	0	0	114.8	Q534 V535 Q611	Q534-G613 PolarHBondContact NE2-O 3.18Å; V535-G613 PolarHBondContact O-N 2.93Å; Q611-G613 PolarHBondContact O-N 3.26Å
614	D	96.1	Very high	90.5	Very high	24 Å²	24	45.1 Å²	45.1	13%	0.128	25%	0.247	C	C	.	.			trans	-57.5	139.3	175.5	-78.7	-13	0	0	0	110.9	Q534 V535 L610 Q611	Q534-D614 WeakPolarHBondContact CA-O 3.42Å; V535-D614 HydrophobicContact CG2-CB 4.16Å; V535-D614 PolarHBondContact N-O 3.02Å; L610-D614 HydrophobicContact CD1-CB 4.26Å; Q611-D614 VanDerWaalsContact CG-CG 3.42Å; Q611-D614 WeakPolarHBondContact CG-OD1 3.31Å; Q611-D614 WeakPolarHBondContact CG-OD2 3.07Å; Q611-D614 PolarHBondContact N-OD2 3.12Å; Q611-D614 PolarHBondContact NE2-OD1 3.5Å; Q611-D614 WeakPolarHBondContact O-CB 3.44Å; Q611-D614 PolarHBondContact O-N 3.46Å
615	Q	97.6	Very high	90.7	Very high	87 Å²	87	45.1 Å²	45.1	41%	0.407	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	128.9	173.9	-64.1	-63.9	-39.5	0	0	109.4	R580 V581	R580-Q615 WeakPolarHBondContact CA-O 3.36Å; V581-Q615 HydrophobicContact CB-CB 3.99Å; V581-Q615 HydrophobicContact CG2-CB 3.82Å; V581-Q615 PolarHBondContact N-O 3.26Å
616	V	95.2	Very high	91.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.7	-176.1	-64.3	0	0	0	0	111.9	E532 A533 V535 L559 L578 V579 R580 L610 L618	E532-V616 CarbonylContact C-O 3.58Å; E532-V616 VanDerWaalsContact CA-O 3.29Å; E532-V616 WeakPolarHBondContact CA-O 3.29Å; A533-V616 HydrophobicContact CB-CG2 4.35Å; A533-V616 PolarHBondContact N-O 2.92Å; A533-V616 WeakPolarHBondContact O-CG2 3.43Å; A533-V616 PolarHBondContact O-N 2.68Å; V535-V616 HydrophobicContact CG2-CG1 4.25Å; L559-V616 HydrophobicContact CD1-CG2 4.48Å; L559-V616 HydrophobicContact CD2-CG2 3.85Å; L578-V616 HydrophobicContact CB-CB 4.41Å; V579-V616 CarbonylContact O-C 3.5Å; V579-V616 WeakPolarHBondContact O-CA 3.01Å; R580-V616 HydrophobicContact CG-CG1 4.23Å; L610-V616 HydrophobicContact CD1-CG1 4.44Å; V616-L618 HydrophobicContact CG2-CD1 4.21Å
617	Q	93.3	Very high	91.5	Very high	41 Å²	41	46.1 Å²	46.1	19%	0.192	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	139.3	165.9	-50.7	-170.4	-15.7	0	0	110.1	C531 E532 L578 V579 V581	C531-Q617 WeakPolarHBondContact O-CA 3.45Å; E532-Q617 HydrophobicContact CG-CG 4.05Å; E532-Q617 PolarHBondContact OE1-NE2 2.93Å; L578-Q617 CarbonylContact C-O 3.37Å; L578-Q617 VanDerWaalsContact CA-O 3.3Å; L578-Q617 WeakPolarHBondContact CA-O 3.33Å; V579-Q617 HydrophobicContact CG2-CB 3.75Å; V579-Q617 HydrophobicContact CG2-CG 4.33Å; V579-Q617 PolarHBondContact N-O 2.73Å; V579-Q617 PolarHBondContact O-N 2.88Å; V581-Q617 HydrophobicContact CG2-CG 3.81Å
618	L	93.5	Very high	92.4	Very high	4 Å²	4	44 Å²	44	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.1	-171.5	-68.9	85.1	0	0	0	111.6	C531 A533 L559 T562 N563 F564 L578 V616	C531-L618 HydrophobicContact CB-CB 4.21Å; C531-L618 HydrophobicContact CB-CD1 4.44Å; C531-L618 VanDerWaalsContact O-CD1 3.31Å; C531-L618 WeakPolarHBondContact O-CD1 3.18Å; C531-L618 PolarHBondContact O-N 2.74Å; A533-L618 HydrophobicContact CB-CD1 3.6Å; L559-L618 HydrophobicContact CD1-CD1 4.25Å; L559-L618 HydrophobicContact CD1-CD2 3.63Å; L559-L618 HydrophobicContact CD1-CG 4.22Å; T562-L618 WeakPolarHBondContact OG1-CD2 3.48Å; N563-L618 PolarHBondContact ND2-O 2.92Å; N563-L618 VanDerWaalsContact ND2-O 3.14Å; N563-L618 WeakPolarHBondContact OD1-CB 3.26Å; F564-L618 HydrophobicContact CD2-CB 4.25Å; F564-L618 HydrophobicContact CD2-CD2 3.78Å; F564-L618 HydrophobicContact CE2-CB 3.91Å; F564-L618 HydrophobicContact CE2-CD2 4.07Å; F564-L618 HydrophobicContact CE2-CG 4.39Å; L578-L618 HydrophobicContact CD2-CB 4.32Å; L578-L618 HydrophobicContact CD2-CD1 4.49Å; L578-L618 HydrophobicContact CD2-CD2 4.06Å; L578-L618 HydrophobicContact CD2-CG 3.57Å; V616-L618 HydrophobicContact CG2-CD1 4.21Å
619	H	87.9	Confident	92.8	Very high	57 Å²	57	40.6 Å²	40.6	26%	0.264	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	108.7	-178.9	-58.6	-89	0	0	0	111.1	G576 Y577	G576-H619 CarbonylContact C-O 3.53Å; G576-H619 VanDerWaalsContact CA-O 3.22Å; G576-H619 WeakPolarHBondContact CA-O 3.32Å; Y577-H619 HydrophobicContact CD1-CB 4.2Å; Y577-H619 HydrophobicContact CD2-CB 3.89Å; Y577-H619 AromaticContact CD2-CD2 3.91Å; Y577-H619 HydrophobicContact CE1-CB 3.8Å; Y577-H619 HydrophobicContact CE2-CB 3.46Å; Y577-H619 VanDerWaalsContact CE2-CB 3.46Å; Y577-H619 AromaticContact CE2-CD2 3.43Å; Y577-H619 VanDerWaalsContact CE2-CD2 3.43Å; Y577-H619 WeakPolarHBondContact CE2-CD2 3.5Å; Y577-H619 AromaticContact CE2-CG 3.48Å; Y577-H619 VanDerWaalsContact CE2-CG 3.48Å; Y577-H619 HydrophobicContact CG-CB 4.24Å; Y577-H619 VanDerWaalsContact CZ-CB 3.42Å; Y577-H619 AromaticContact CZ-CG 3.73Å; Y577-H619 PolarHBondContact N-O 3.32Å; Y577-H619 PolarHBondContact O-N 2.92Å
620	V	91.3	Very high	93.1	Very high	15 Å²	15	38 Å²	38	9%	0.091	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	145.8	173.9	-61	0	0	0	0	111.3	F564 D574 K622	F564-V620 HydrophobicContact CD1-CG1 4.32Å; F564-V620 HydrophobicContact CD2-CG1 3.78Å; F564-V620 HydrophobicContact CE1-CG1 4.44Å; F564-V620 HydrophobicContact CE2-CG1 3.9Å; F564-V620 HydrophobicContact CG-CG1 4Å; F564-V620 HydrophobicContact CZ-CG1 4.24Å; D574-V620 HydrophobicContact CB-CG1 4.46Å; V620-K622 PolarHBondContact O-N 2.81Å
621	D	88.6	Confident	93.3	Very high	48 Å²	48	38.3 Å²	38.3	26%	0.257	21%	0.208	S	C	.	.			trans	-65.4	102	166.6	177.7	-13.6	0	0	0	108.8	R575 A623 W624 R625	R575-D621 HydrophobicContact CG-CB 3.87Å; R575-D621 IonicContact CZ-OD2 2.96Å; R575-D621 VanDerWaalsContact CZ-OD2 3.28Å; R575-D621 IonicContact NE-OD2 2.71Å; R575-D621 PolarHBondContact NE-OD2 3.01Å; R575-D621 IonicContact NH2-OD2 3.67Å; R575-D621 PolarHBondContact NH2-OD2 2.92Å; R575-D621 WeakPolarHBondContact O-CB 3.48Å; R575-D621 PolarHBondContact O-N 3.19Å; D621-A623 VanDerWaalsContact C-N 3.28Å; D621-A623 PolarHBondContact O-N 3.03Å; D621-A623 PolarHBondContact OD1-N 2.81Å; D621-W624 HydrophobicContact CB-CB 3.8Å; D621-W624 VanDerWaalsContact CG-CB 3.46Å; D621-W624 WeakPolarHBondContact O-CB 3.31Å; D621-W624 PolarHBondContact O-N 2.83Å; D621-W624 PolarHBondContact OD1-N 2.95Å; D621-W624 VanDerWaalsContact OD1-N 3.08Å; D621-R625 WeakPolarHBondContact O-CB 3.21Å; D621-R625 PolarHBondContact O-N 3.34Å
622	K	88.9	Confident	93.4	Very high	122 Å²	122	33.8 Å²	33.8	53%	0.53	19%	0.187	S	C	.	.	H	α-helix	trans	-60.5	-36.7	-175.4	-62.1	-178.4	-179	177.9	0	112.4	F528 V620 L626	F528-K622 HydrophobicContact CD2-CB 4.33Å; F528-K622 HydrophobicContact CD2-CD 4.14Å; F528-K622 HydrophobicContact CD2-CG 3.85Å; F528-K622 HydrophobicContact CE2-CB 4.13Å; F528-K622 HydrophobicContact CE2-CG 4.17Å; V620-K622 PolarHBondContact O-N 2.81Å; K622-L626 WeakPolarHBondContact O-CB 3.46Å; K622-L626 VanDerWaalsContact O-CG 3.24Å; K622-L626 WeakPolarHBondContact O-CG 3.27Å; K622-L626 PolarHBondContact O-N 3.09Å
623	A	87.2	Confident	93.4	Very high	70 Å²	70	30.5 Å²	30.5	58%	0.579	17%	0.171	S	C	*	.	H	α-helix	trans	-70.1	-44.3	-179.4	0	0	0	0	0	110.5	D621 L626 A627	D621-A623 VanDerWaalsContact C-N 3.28Å; D621-A623 PolarHBondContact O-N 3.03Å; D621-A623 PolarHBondContact OD1-N 2.81Å; A623-L626 PolarHBondContact O-N 2.81Å; A623-A627 WeakPolarHBondContact O-CB 3.34Å; A623-A627 PolarHBondContact O-N 3.38Å
624	W	89.3	Confident	93.5	Very high	35 Å²	35	29 Å²	29	13%	0.133	16%	0.155	C	C	.	.	H	α-helix	trans	-57.5	-53	172.9	-179.1	-89	0	0	0	111.6	A572 S573 R575 D621 L626 A627 C628 P659	A572-W624 HydrophobicContact CB-CZ2 4.42Å; S573-W624 PolarHBondContact O-NE1 2.96Å; R575-W624 HydrophobicContact CG-CB 4.29Å; R575-W624 HydrophobicContact CG-CD2 4.1Å; R575-W624 HydrophobicContact CG-CG 3.95Å; R575-W624 VanDerWaalsContact NH1-CZ3 3.33Å; D621-W624 HydrophobicContact CB-CB 3.8Å; D621-W624 VanDerWaalsContact CG-CB 3.46Å; D621-W624 WeakPolarHBondContact O-CB 3.31Å; D621-W624 PolarHBondContact O-N 2.83Å; D621-W624 PolarHBondContact OD1-N 2.95Å; D621-W624 VanDerWaalsContact OD1-N 3.08Å; W624-L626 PolarHBondContact O-N 3.26Å; W624-A627 PolarHBondContact O-N 3.4Å; W624-C628 PolarHBondContact O-N 3.34Å; W624-P659 HydrophobicContact CD2-CG 3.5Å; W624-P659 HydrophobicContact CE3-CB 4.21Å; W624-P659 HydrophobicContact CE3-CG 3.4Å; W624-P659 VanDerWaalsContact CE3-CG 3.4Å; W624-P659 HydrophobicContact CG-CG 4.02Å; W624-P659 VanDerWaalsContact CH2-CD 3.49Å; W624-P659 HydrophobicContact CH2-CG 4.1Å; W624-P659 HydrophobicContact CZ2-CG 4.2Å; W624-P659 HydrophobicContact CZ3-CB 4.31Å; W624-P659 HydrophobicContact CZ3-CG 3.7Å
625	R	93.1	Very high	93.5	Very high	4 Å²	4	28 Å²	28	2%	0.015	15%	0.15	C	C	.	.	H	α-helix	trans	-56.7	-47.8	179.7	171.7	62	77.3	75.7	10.4	111.9	K515 F528 N563 D574 D621 A627 C628 M629	K515-R625 PolarHBondContact O-NH1 3.23Å; F528-R625 HydrophobicContact CD1-CG 4.4Å; F528-R625 HydrophobicContact CE1-CG 3.49Å; F528-R625 VanDerWaalsContact CE1-CG 3.49Å; F528-R625 HydrophobicContact CZ-CB 4.34Å; F528-R625 HydrophobicContact CZ-CG 3.6Å; N563-R625 PolarHBondContact O-NH2 3.12Å; D574-R625 IonicContact OD1-CZ 3.83Å; D574-R625 IonicContact OD1-NE 3.94Å; D574-R625 PolarHBondContact OD1-NE 2.7Å; D574-R625 IonicContact OD1-NH2 2.92Å; D574-R625 IonicContact OD2-CZ 3.01Å; D574-R625 IonicContact OD2-NE 3.55Å; D574-R625 PolarHBondContact OD2-NE 2.86Å; D574-R625 IonicContact OD2-NH2 3.89Å; D574-R625 PolarHBondContact OD2-NH2 3.23Å; D621-R625 WeakPolarHBondContact O-CB 3.21Å; D621-R625 PolarHBondContact O-N 3.34Å; R625-A627 PolarHBondContact O-N 3.37Å; R625-C628 WeakPolarHBondContact O-CB 3.07Å; R625-C628 PolarHBondContact O-N 2.82Å; R625-M629 HydrophobicContact CG-CG 4.36Å; R625-M629 HydrophobicContact CG-SD 3.64Å; R625-M629 VanDerWaalsContact O-CG 3.26Å; R625-M629 WeakPolarHBondContact O-CG 3.42Å; R625-M629 PolarHBondContact O-N 3.42Å
626	L	94.4	Very high	93.5	Very high	51 Å²	51	24.3 Å²	24.3	27%	0.267	13%	0.133	S	C	.	.	H	α-helix	trans	-65.1	-39.4	-179.4	-75.4	170.9	0	0	0	112.5	Y526 F528 K622 A623 W624 C628 M629 A630	Y526-L626 HydrophobicContact CD1-CD2 4.02Å; Y526-L626 HydrophobicContact CD2-CD2 3.53Å; Y526-L626 HydrophobicContact CE2-CD2 4.15Å; Y526-L626 HydrophobicContact CG-CD2 3.47Å; Y526-L626 VanDerWaalsContact CG-CD2 3.47Å; F528-L626 HydrophobicContact CE2-CD1 4.36Å; F528-L626 HydrophobicContact CE2-CD2 4.24Å; F528-L626 HydrophobicContact CE2-CG 4.06Å; F528-L626 HydrophobicContact CZ-CD2 3.81Å; F528-L626 HydrophobicContact CZ-CG 3.9Å; K622-L626 WeakPolarHBondContact O-CB 3.46Å; K622-L626 VanDerWaalsContact O-CG 3.24Å; K622-L626 WeakPolarHBondContact O-CG 3.27Å; K622-L626 PolarHBondContact O-N 3.09Å; A623-L626 PolarHBondContact O-N 2.81Å; W624-L626 PolarHBondContact O-N 3.26Å; L626-C628 VanDerWaalsContact C-N 3.33Å; L626-C628 PolarHBondContact O-N 3.35Å; L626-M629 HydrophobicContact CD2-CE 4.39Å; L626-M629 HydrophobicContact CD2-SD 4.08Å; L626-M629 PolarHBondContact O-N 2.67Å; L626-A630 WeakPolarHBondContact O-CB 3.46Å; L626-A630 PolarHBondContact O-N 3.24Å
627	A	91.6	Very high	93.6	Very high	27 Å²	27	24.3 Å²	24.3	22%	0.223	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-37.1	176.3	0	0	0	0	0	112.1	A623 W624 R625 K631 P659	A623-A627 WeakPolarHBondContact O-CB 3.34Å; A623-A627 PolarHBondContact O-N 3.38Å; W624-A627 PolarHBondContact O-N 3.4Å; R625-A627 PolarHBondContact O-N 3.37Å; A627-K631 PolarHBondContact O-N 2.97Å; A627-P659 HydrophobicContact CB-CB 3.57Å; A627-P659 HydrophobicContact CB-CG 3.86Å
628	C	94.4	Very high	93.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.9	-49.8	170.1	-73.7	0	0	0	0	111.7	Q571 W624 R625 L626 A630 K631 H632 L657 P659	Q571-C628 HydrophobicContact CG-CB 4.28Å; W624-C628 PolarHBondContact O-N 3.34Å; R625-C628 WeakPolarHBondContact O-CB 3.07Å; R625-C628 PolarHBondContact O-N 2.82Å; L626-C628 VanDerWaalsContact C-N 3.33Å; L626-C628 PolarHBondContact O-N 3.35Å; C628-A630 VanDerWaalsContact C-N 3.28Å; C628-A630 PolarHBondContact O-N 3.11Å; C628-K631 PolarHBondContact O-N 3.02Å; C628-H632 WeakPolarHBondContact O-CB 3.43Å; C628-H632 PolarHBondContact O-N 3.02Å; C628-L657 HydrophobicContact CB-CD1 4.27Å; C628-L657 WeakPolarHBondContact O-CD1 3.14Å; C628-P659 VanDerWaalsContact SG-CD 3.58Å
629	M	96.9	Very high	93.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.5	-40.9	178.1	-71.4	164.7	68.8	0	0	112.4	Y518 Y526 F528 R625 L626 H632 T633 T752 H753 L754	Y518-M629 HydrophobicContact CD2-CE 3.81Å; Y518-M629 HydrophobicContact CE1-CE 4.22Å; Y518-M629 HydrophobicContact CE2-CE 3.38Å; Y518-M629 HydrophobicContact CG-CE 4.39Å; Y526-M629 HydrophobicContact CD1-CE 3.91Å; Y526-M629 HydrophobicContact CE1-CE 3.66Å; F528-M629 HydrophobicContact CE1-SD 3.86Å; F528-M629 HydrophobicContact CZ-SD 3.9Å; R625-M629 HydrophobicContact CG-CG 4.36Å; R625-M629 HydrophobicContact CG-SD 3.64Å; R625-M629 VanDerWaalsContact O-CG 3.26Å; R625-M629 WeakPolarHBondContact O-CG 3.42Å; R625-M629 PolarHBondContact O-N 3.42Å; L626-M629 HydrophobicContact CD2-CE 4.39Å; L626-M629 HydrophobicContact CD2-SD 4.08Å; L626-M629 PolarHBondContact O-N 2.67Å; M629-H632 PolarHBondContact O-N 3.5Å; M629-T633 WeakPolarHBondContact O-CB 3.47Å; M629-T633 PolarHBondContact O-N 3.24Å; M629-T633 PolarHBondContact O-OG1 2.66Å; M629-T752 WeakPolarHBondContact CA-O 3.18Å; M629-T752 VanDerWaalsContact CG-OG1 3.28Å; M629-T752 WeakPolarHBondContact CG-OG1 3.31Å; M629-H753 WeakPolarHBondContact CE-O 3.4Å; M629-L754 HydrophobicContact CB-CD2 4.16Å; M629-L754 HydrophobicContact CB-CG 4.34Å
630	A	96.4	Very high	94.1	Very high	11 Å²	11	21.3 Å²	21.3	9%	0.091	12%	0.117	C	C	.	.	H	α-helix	trans	-61.5	-50.6	177.5	0	0	0	0	0	111.4	L626 C628 H632 T633 A634 L754	L626-A630 WeakPolarHBondContact O-CB 3.46Å; L626-A630 PolarHBondContact O-N 3.24Å; C628-A630 VanDerWaalsContact C-N 3.28Å; C628-A630 PolarHBondContact O-N 3.11Å; A630-H632 VanDerWaalsContact C-N 3.34Å; A630-H632 PolarHBondContact O-N 2.84Å; A630-T633 PolarHBondContact O-N 2.88Å; A630-A634 VanDerWaalsContact O-CB 3.27Å; A630-A634 WeakPolarHBondContact O-CB 3.18Å; A630-A634 PolarHBondContact O-N 2.97Å; A630-L754 HydrophobicContact CB-CD1 3.99Å
631	K	95.8	Very high	94.4	Very high	6 Å²	6	20.6 Å²	20.6	3%	0.026	11%	0.113	C	C	.	.	H	α-helix	trans	-66.2	-35	176.7	-74.5	172.7	177.7	63.6	0	112.8	A627 C628 A634 T635 L657 N658 P659 L662 T782	A627-K631 PolarHBondContact O-N 2.97Å; C628-K631 PolarHBondContact O-N 3.02Å; K631-A634 CarbonylContact O-C 3.44Å; K631-A634 PolarHBondContact O-N 3.24Å; K631-T635 PolarHBondContact O-N 2.87Å; K631-T635 PolarHBondContact O-OG1 2.89Å; K631-L657 HydrophobicContact CB-CB 4.17Å; K631-L657 HydrophobicContact CB-CD1 4.35Å; K631-N658 WeakPolarHBondContact CD-O 3.13Å; K631-N658 WeakPolarHBondContact CE-O 3.44Å; K631-P659 VanDerWaalsContact CE-O 3.27Å; K631-P659 WeakPolarHBondContact CE-O 2.96Å; K631-P659 VanDerWaalsContact NZ-C 3.34Å; K631-P659 PolarHBondContact NZ-O 3.49Å; K631-L662 HydrophobicContact CB-CB 4.47Å; K631-L662 HydrophobicContact CB-CD1 4.16Å; K631-L662 HydrophobicContact CB-CG 4.49Å; K631-L662 HydrophobicContact CD-CB 4.3Å; K631-L662 HydrophobicContact CG-CB 4.29Å; K631-L662 HydrophobicContact CG-CD1 4.4Å; K631-L662 WeakPolarHBondContact O-CD1 3.23Å; K631-T782 HydrophobicContact CG-CG2 4.09Å
632	H	97.1	Very high	94.7	Very high	6 Å²	6	18.3 Å²	18.3	3%	0.028	10%	0.101	C	C	.	.	H	α-helix	trans	-65.2	-47.6	177.4	-154	151.7	0	0	0	111.3	Q571 C628 M629 A630 A634 T635 H636 L657 C749 G751 H753	Q571-H632 PolarHBondContact OE1-ND1 3Å; C628-H632 WeakPolarHBondContact O-CB 3.43Å; C628-H632 PolarHBondContact O-N 3.02Å; M629-H632 PolarHBondContact O-N 3.5Å; A630-H632 VanDerWaalsContact C-N 3.34Å; A630-H632 PolarHBondContact O-N 2.84Å; H632-A634 VanDerWaalsContact C-N 3.27Å; H632-A634 PolarHBondContact O-N 3.19Å; H632-T635 WeakPolarHBondContact O-CB 3.43Å; H632-T635 PolarHBondContact O-N 3.41Å; H632-H636 AromaticContact CD2-CD2 3.86Å; H632-H636 AromaticContact CD2-NE2 3.53Å; H632-H636 AromaticContact NE2-NE2 3.69Å; H632-H636 PolarHBondContact O-CD2 3.07Å; H632-H636 VanDerWaalsContact O-CD2 3.24Å; H632-H636 PolarHBondContact O-N 3.4Å; H632-L657 HydrophobicContact CB-CD1 4.21Å; H632-L657 HydrophobicContact CB-CD2 3.86Å; H632-C749 PolarHBondContact NE2-SG 2.82Å; H632-G751 WeakPolarHBondContact CE1-CA 3.41Å; H632-H753 AromaticContact CD2-CE1 3.37Å; H632-H753 PolarHBondContact CD2-CE1 2.88Å; H632-H753 AromaticContact CE1-CE1 4Å; H632-H753 AromaticContact CG-CE1 3.52Å; H632-H753 AromaticContact CG-ND1 3.93Å; H632-H753 AromaticContact ND1-CE1 3.9Å; H632-H753 AromaticContact NE2-CE1 3.68Å
633	T	97.7	Very high	94.8	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.012	8%	0.084	C	C	.	.	H	α-helix	trans	-60	-41.8	173.8	-47.5	0	0	0	0	110.8	M629 A630 T635 H636 L637 V694 L754 V760	M629-T633 WeakPolarHBondContact O-CB 3.47Å; M629-T633 PolarHBondContact O-N 3.24Å; M629-T633 PolarHBondContact O-OG1 2.66Å; A630-T633 PolarHBondContact O-N 2.88Å; T633-T635 VanDerWaalsContact C-N 3.35Å; T633-T635 PolarHBondContact O-N 3.19Å; T633-H636 WeakPolarHBondContact O-CB 3.4Å; T633-H636 PolarHBondContact O-N 3.01Å; T633-L637 PolarHBondContact O-N 3.04Å; T633-L637 VanDerWaalsContact O-N 3.15Å; T633-V694 HydrophobicContact CG2-CG2 4.24Å; T633-L754 HydrophobicContact CG2-CB 4.31Å; T633-L754 PolarHBondContact OG1-N 3.44Å; T633-V760 HydrophobicContact CG2-CG2 4.15Å
634	A	97.1	Very high	95.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.7	-34.2	177.2	0	0	0	0	0	113.1	A630 K631 H632 H636 L637 L638 L662 V760 L763 T782	A630-A634 VanDerWaalsContact O-CB 3.27Å; A630-A634 WeakPolarHBondContact O-CB 3.18Å; A630-A634 PolarHBondContact O-N 2.97Å; K631-A634 CarbonylContact O-C 3.44Å; K631-A634 PolarHBondContact O-N 3.24Å; H632-A634 VanDerWaalsContact C-N 3.27Å; H632-A634 PolarHBondContact O-N 3.19Å; A634-H636 VanDerWaalsContact C-N 3.34Å; A634-H636 PolarHBondContact O-N 3.1Å; A634-L637 PolarHBondContact O-N 2.92Å; A634-L638 VanDerWaalsContact O-CB 3.24Å; A634-L638 WeakPolarHBondContact O-CB 3.24Å; A634-L638 PolarHBondContact O-N 3.3Å; A634-L662 HydrophobicContact CB-CD1 4.11Å; A634-V760 HydrophobicContact CB-CG1 3.83Å; A634-V760 HydrophobicContact CB-CG2 4.46Å; A634-L763 HydrophobicContact CB-CD1 3.68Å; A634-T782 HydrophobicContact CB-CG2 3.7Å
635	T	96.6	Very high	95.3	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.018	8%	0.084	C	C	.	.	H	α-helix	trans	-59.7	-43.9	172.7	-63.8	0	0	0	0	111	K631 H632 T633 L637 L638 N639 L664	K631-T635 PolarHBondContact O-N 2.87Å; K631-T635 PolarHBondContact O-OG1 2.89Å; H632-T635 WeakPolarHBondContact O-CB 3.43Å; H632-T635 PolarHBondContact O-N 3.41Å; T633-T635 VanDerWaalsContact C-N 3.35Å; T633-T635 PolarHBondContact O-N 3.19Å; T635-L637 PolarHBondContact O-N 3.47Å; T635-L638 PolarHBondContact O-N 2.84Å; T635-N639 VanDerWaalsContact O-CB 3.27Å; T635-N639 WeakPolarHBondContact O-CB 3.37Å; T635-N639 PolarHBondContact O-N 2.88Å; T635-L664 HydrophobicContact CG2-CD1 3.97Å
636	H	96.4	Very high	95.2	Very high	8 Å²	8	18.5 Å²	18.5	4%	0.037	10%	0.096	C	C	.	.	H	α-helix	trans	-65.3	-37.2	176.7	-72.6	-59.3	0	0	0	113.2	H632 T633 A634 W640 S745 E747 C749 H753	H632-H636 AromaticContact CD2-CD2 3.86Å; H632-H636 AromaticContact CD2-NE2 3.53Å; H632-H636 AromaticContact NE2-NE2 3.69Å; H632-H636 PolarHBondContact O-CD2 3.07Å; H632-H636 VanDerWaalsContact O-CD2 3.24Å; H632-H636 PolarHBondContact O-N 3.4Å; T633-H636 WeakPolarHBondContact O-CB 3.4Å; T633-H636 PolarHBondContact O-N 3.01Å; A634-H636 VanDerWaalsContact C-N 3.34Å; A634-H636 PolarHBondContact O-N 3.1Å; H636-W640 WeakPolarHBondContact O-CB 3.48Å; H636-W640 PolarHBondContact O-N 3.49Å; H636-S745 WeakPolarHBondContact CB-OG 3.34Å; H636-S745 PolarHBondContact O-OG 2.89Å; H636-E747 IonicContact CE1-OE2 3.59Å; H636-E747 PolarHBondContact CE1-OE2 2.88Å; H636-E747 VanDerWaalsContact CE1-OE2 3.25Å; H636-E747 IonicContact ND1-OE1 3.98Å; H636-E747 PolarHBondContact ND1-OE1 3.11Å; H636-E747 IonicContact ND1-OE2 3.82Å; H636-E747 PolarHBondContact ND1-OE2 2.99Å; H636-C749 PolarHBondContact NE2-SG 3.29Å; H636-C749 VanDerWaalsContact NE2-SG 3.44Å; H636-H753 AromaticContact CD2-CE1 3.28Å; H636-H753 PolarHBondContact CD2-CE1 3.31Å; H636-H753 AromaticContact CD2-ND1 3.54Å; H636-H753 AromaticContact NE2-CE1 2.99Å; H636-H753 PolarHBondContact NE2-CE1 3.48Å; H636-H753 AromaticContact NE2-ND1 3.75Å; H636-H753 AromaticContact NE2-NE2 3.76Å
637	L	97.2	Very high	94.9	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-69	-42.4	174.1	-63.6	-179.2	0	0	0	111.2	T633 A634 T635 W640 A641 V684 A687 V688 V726 T757 V760	T633-L637 PolarHBondContact O-N 3.04Å; T633-L637 VanDerWaalsContact O-N 3.15Å; A634-L637 PolarHBondContact O-N 2.92Å; T635-L637 PolarHBondContact O-N 3.47Å; L637-W640 PolarHBondContact O-N 2.96Å; L637-A641 VanDerWaalsContact O-CB 3.3Å; L637-A641 WeakPolarHBondContact O-CB 3.44Å; L637-A641 PolarHBondContact O-N 3.2Å; L637-V684 HydrophobicContact CB-CG1 4.06Å; L637-V684 HydrophobicContact CB-CG2 4.34Å; L637-V684 HydrophobicContact CD1-CG1 4.39Å; L637-A687 HydrophobicContact CD1-CB 4.48Å; L637-A687 HydrophobicContact CD2-CB 4.14Å; L637-V688 HydrophobicContact CD1-CG2 3.91Å; L637-V726 HydrophobicContact CD2-CG1 4.16Å; L637-V726 HydrophobicContact CD2-CG2 4.22Å; L637-T757 HydrophobicContact CD1-CG2 4.29Å; L637-T757 HydrophobicContact CD2-CG2 4.25Å; L637-V760 HydrophobicContact CD1-CG2 4.47Å
638	L	96.8	Very high	94.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.2	-45.8	178.5	-179.8	60.6	0	0	0	111.5	A634 T635 W640 A641 L642 L662 L664 V680 L763 I765 A780	A634-L638 VanDerWaalsContact O-CB 3.24Å; A634-L638 WeakPolarHBondContact O-CB 3.24Å; A634-L638 PolarHBondContact O-N 3.3Å; T635-L638 PolarHBondContact O-N 2.84Å; L638-W640 VanDerWaalsContact C-N 3.35Å; L638-W640 PolarHBondContact O-N 2.86Å; L638-A641 PolarHBondContact O-N 3.04Å; L638-L642 HydrophobicContact CD1-CD1 4.11Å; L638-L642 HydrophobicContact CD1-CG 4.28Å; L638-L642 HydrophobicContact CG-CD1 3.93Å; L638-L642 WeakPolarHBondContact O-CB 3.44Å; L638-L642 WeakPolarHBondContact O-CD1 3.45Å; L638-L642 VanDerWaalsContact O-CG 3.24Å; L638-L642 WeakPolarHBondContact O-CG 3.5Å; L638-L642 PolarHBondContact O-N 3.34Å; L638-L662 HydrophobicContact CD2-CD2 4.21Å; L638-L664 HydrophobicContact CB-CD2 4.43Å; L638-L664 HydrophobicContact CD2-CB 4.37Å; L638-L664 HydrophobicContact CD2-CD2 3.83Å; L638-L664 HydrophobicContact CG-CD2 3.89Å; L638-V680 HydrophobicContact CD1-CG1 3.54Å; L638-L763 HydrophobicContact CD1-CD2 4.37Å; L638-I765 HydrophobicContact CD1-CD1 4.08Å; L638-I765 HydrophobicContact CD1-CG1 4.4Å; L638-A780 HydrophobicContact CD2-CB 4.44Å
639	N	95	Very high	93.4	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-59	-46	176.5	-170.7	29.2	0	0	0	111.2	T635 R643 L664 E747	T635-N639 VanDerWaalsContact O-CB 3.27Å; T635-N639 WeakPolarHBondContact O-CB 3.37Å; T635-N639 PolarHBondContact O-N 2.88Å; N639-R643 PolarHBondContact O-N 3.43Å; N639-L664 HydrophobicContact CB-CD2 4.47Å; N639-E747 PolarHBondContact ND2-OE1 2.99Å; N639-E747 VanDerWaalsContact ND2-OE1 3.1Å; N639-E747 PolarHBondContact ND2-OE2 2.96Å
640	W	95.1	Very high	92.9	Very high	34 Å²	34	22.7 Å²	22.7	13%	0.129	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-48.8	174	167.1	76.6	0	0	0	112.6	H636 L637 L638 L642 R643 Q644 T683 A687 Q743	H636-W640 WeakPolarHBondContact O-CB 3.48Å; H636-W640 PolarHBondContact O-N 3.49Å; L637-W640 PolarHBondContact O-N 2.96Å; L638-W640 VanDerWaalsContact C-N 3.35Å; L638-W640 PolarHBondContact O-N 2.86Å; W640-L642 VanDerWaalsContact C-N 3.33Å; W640-L642 PolarHBondContact O-N 3.01Å; W640-R643 PolarHBondContact O-N 3.14Å; W640-R643 VanDerWaalsContact O-N 3.16Å; W640-Q644 HydrophobicContact CD2-CG 4.25Å; W640-Q644 HydrophobicContact CZ2-CG 3.95Å; W640-Q644 WeakPolarHBondContact O-CG 3.23Å; W640-Q644 PolarHBondContact O-N 2.69Å; W640-T683 HydrophobicContact CE3-CG2 4.11Å; W640-T683 HydrophobicContact CH2-CG2 3.53Å; W640-T683 HydrophobicContact CZ2-CG2 4.43Å; W640-T683 HydrophobicContact CZ3-CG2 3.34Å; W640-A687 HydrophobicContact CZ3-CB 4.13Å; W640-Q743 VanDerWaalsContact CZ2-O 3.29Å; W640-Q743 WeakPolarHBondContact CZ2-O 3.47Å; W640-Q743 PolarHBondContact NE1-O 3.03Å; W640-Q743 VanDerWaalsContact NE1-O 3.12Å
641	A	96.1	Very high	92.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.9	-37.6	-178.4	0	0	0	0	0	112.9	L637 L638 Q644 T645 V680 T683 V684	L637-A641 VanDerWaalsContact O-CB 3.3Å; L637-A641 WeakPolarHBondContact O-CB 3.44Å; L637-A641 PolarHBondContact O-N 3.2Å; L638-A641 PolarHBondContact O-N 3.04Å; A641-Q644 PolarHBondContact O-N 2.98Å; A641-T645 WeakPolarHBondContact O-CB 3.47Å; A641-T645 PolarHBondContact O-N 3.39Å; A641-T645 PolarHBondContact O-OG1 3.47Å; A641-V680 HydrophobicContact CB-CG1 3.99Å; A641-T683 HydrophobicContact CB-CG2 3.74Å; A641-V684 HydrophobicContact CB-CG2 3.61Å
642	L	95.1	Very high	91.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.3	-47.1	173.2	-75.8	162.3	0	0	0	111.1	L638 W640 Q644 T645 L646 T650 L664 V666 L672 V680 L778	L638-L642 HydrophobicContact CD1-CD1 4.11Å; L638-L642 HydrophobicContact CD1-CG 4.28Å; L638-L642 HydrophobicContact CG-CD1 3.93Å; L638-L642 WeakPolarHBondContact O-CB 3.44Å; L638-L642 WeakPolarHBondContact O-CD1 3.45Å; L638-L642 VanDerWaalsContact O-CG 3.24Å; L638-L642 WeakPolarHBondContact O-CG 3.5Å; L638-L642 PolarHBondContact O-N 3.34Å; W640-L642 VanDerWaalsContact C-N 3.33Å; W640-L642 PolarHBondContact O-N 3.01Å; L642-Q644 PolarHBondContact O-N 2.87Å; L642-T645 PolarHBondContact O-N 3.35Å; L642-L646 HydrophobicContact CD2-CD1 4.16Å; L642-L646 VanDerWaalsContact O-CB 3.28Å; L642-L646 WeakPolarHBondContact O-CB 3.49Å; L642-L646 WeakPolarHBondContact O-CG 3.39Å; L642-L646 PolarHBondContact O-N 3.24Å; L642-T650 HydrophobicContact CB-CG2 3.99Å; L642-L664 HydrophobicContact CD1-CD2 3.85Å; L642-V666 HydrophobicContact CD1-CG1 3.91Å; L642-V666 HydrophobicContact CD1-CG2 4.33Å; L642-L672 HydrophobicContact CD2-CD2 3.9Å; L642-V680 HydrophobicContact CD2-CG1 4.07Å; L642-V680 HydrophobicContact CD2-CG2 3.84Å; L642-V680 HydrophobicContact CG-CG1 4.02Å; L642-V680 HydrophobicContact CG-CG2 4.35Å; L642-L778 HydrophobicContact CD1-CD1 3.48Å; L642-L778 VanDerWaalsContact CD1-CD1 3.48Å; L642-L778 HydrophobicContact CD2-CD1 3.74Å; L642-L778 HydrophobicContact CG-CD1 4.22Å
643	R	91.8	Very high	91.2	Very high	45 Å²	45	29.9 Å²	29.9	17%	0.17	17%	0.166	C	C	.	.	H	α-helix	trans	-63.6	-38.2	176.9	-174.7	176	173.6	149.9	-0.9	112.8	N639 W640 T645 G647	N639-R643 PolarHBondContact O-N 3.43Å; W640-R643 PolarHBondContact O-N 3.14Å; W640-R643 VanDerWaalsContact O-N 3.16Å; R643-T645 VanDerWaalsContact C-N 3.32Å; R643-G647 CarbonylContact O-C 3.55Å; R643-G647 VanDerWaalsContact O-CA 3.22Å; R643-G647 WeakPolarHBondContact O-CA 3.38Å; R643-G647 PolarHBondContact O-N 3.17Å
644	Q	92.3	Very high	90.6	Very high	97 Å²	97	30.7 Å²	30.7	45%	0.453	18%	0.176	S	C	.	.	H	α-helix	trans	-63.4	-40	174.4	-67	-56.2	-51.5	0	0	111.9	W640 A641 L642 L742	W640-Q644 HydrophobicContact CD2-CG 4.25Å; W640-Q644 HydrophobicContact CZ2-CG 3.95Å; W640-Q644 WeakPolarHBondContact O-CG 3.23Å; W640-Q644 PolarHBondContact O-N 2.69Å; A641-Q644 PolarHBondContact O-N 2.98Å; L642-Q644 PolarHBondContact O-N 2.87Å; Q644-L742 PolarHBondContact NE2-O 2.88Å
645	T	94.1	Very high	90.2	Very high	42 Å²	42	31.5 Å²	31.5	26%	0.258	18%	0.181	S	C	.	.	H	α-helix	trans	-80.3	-38.5	-175.4	-54.7	0	0	0	0	112.6	A641 L642 R643 Q676 A679 V680	A641-T645 WeakPolarHBondContact O-CB 3.47Å; A641-T645 PolarHBondContact O-N 3.39Å; A641-T645 PolarHBondContact O-OG1 3.47Å; L642-T645 PolarHBondContact O-N 3.35Å; R643-T645 VanDerWaalsContact C-N 3.32Å; T645-Q676 HydrophobicContact CG2-CB 4.18Å; T645-Q676 HydrophobicContact CG2-CG 4.3Å; T645-A679 HydrophobicContact CG2-CB 4.07Å; T645-V680 HydrophobicContact CG2-CG2 4.04Å; T645-V680 WeakPolarHBondContact OG1-CG2 3.42Å
646	L	90.7	Very high	89.9	Confident	51 Å²	51	33.8 Å²	33.8	27%	0.267	19%	0.192	S	C	.	.	H	α-helix	trans	-103.9	-16	-171.3	-57	-178.3	0	0	0	113.5	L642 T650 T668 L672 Q676	L642-L646 HydrophobicContact CD2-CD1 4.16Å; L642-L646 VanDerWaalsContact O-CB 3.28Å; L642-L646 WeakPolarHBondContact O-CB 3.49Å; L642-L646 WeakPolarHBondContact O-CG 3.39Å; L642-L646 PolarHBondContact O-N 3.24Å; L646-T650 VanDerWaalsContact CB-OG1 3.27Å; L646-T650 WeakPolarHBondContact CB-OG1 3.48Å; L646-T650 HydrophobicContact CD1-CG2 4.28Å; L646-T668 HydrophobicContact CD1-CG2 4.15Å; L646-L672 HydrophobicContact CD1-CD2 4.24Å; L646-L672 HydrophobicContact CD1-CG 4.31Å; L646-Q676 HydrophobicContact CD2-CB 4.39Å; L646-Q676 HydrophobicContact CD2-CG 4.24Å
647	G	87.9	Confident	89.7	Confident	21 Å²	21	33.4 Å²	33.4	22%	0.216	19%	0.19	C	C	.	.			trans	100.5	178.2	179.8	0	0	0	0	0	114.4	R643 G649 T650	R643-G647 CarbonylContact O-C 3.55Å; R643-G647 VanDerWaalsContact O-CA 3.22Å; R643-G647 WeakPolarHBondContact O-CA 3.38Å; R643-G647 PolarHBondContact O-N 3.17Å; G647-G649 VanDerWaalsContact C-N 3.25Å; G647-G649 PolarHBondContact O-N 3.45Å; G647-T650 PolarHBondContact O-N 3.3Å
648	P	78.7	Confident	89.4	Confident	97 Å²	97	34.7 Å²	34.7	63%	0.63	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.4	-169.3	27	-35.3	0	0	0	115	T650	P648-T650 PolarHBondContact O-N 2.88Å
649	G	76.7	Confident	88.8	Confident	41 Å²	41	35.5 Å²	35.5	42%	0.423	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	0.8	176.3	0	0	0	0	0	114.6	G647	G647-G649 VanDerWaalsContact C-N 3.25Å; G647-G649 PolarHBondContact O-N 3.45Å
650	T	85.9	Confident	88.2	Confident	7 Å²	7	40.5 Å²	40.5	4%	0.043	23%	0.225	C	C	.	.			trans	-89.8	109.1	174.6	-65.4	0	0	0	0	110.3	L642 L646 G647 P648 V666 T667	L642-T650 HydrophobicContact CB-CG2 3.99Å; L646-T650 VanDerWaalsContact CB-OG1 3.27Å; L646-T650 WeakPolarHBondContact CB-OG1 3.48Å; L646-T650 HydrophobicContact CD1-CG2 4.28Å; G647-T650 PolarHBondContact O-N 3.3Å; P648-T650 PolarHBondContact O-N 2.88Å; T650-V666 HydrophobicContact CG2-CB 4.26Å; T650-T667 WeakPolarHBondContact CA-O 3.34Å; T650-T667 PolarHBondContact OG1-O 3.2Å
651	E	83.8	Confident	87.6	Confident	112 Å²	112	42.7 Å²	42.7	52%	0.523	24%	0.237	S	C	.	.			trans	-125.4	146.5	-177.8	-63.7	-174.7	161.3	0	0	111	Q653 V666 T667	E651-Q653 PolarHBondContact O-N 3Å; E651-V666 CarbonylContact O-C 3.18Å; E651-V666 WeakPolarHBondContact O-CA 3.33Å; E651-T667 PolarHBondContact O-N 3.49Å; E651-T667 PolarHBondContact O-OG1 3.4Å
652	Q	88.2	Confident	87.5	Confident	24 Å²	24	42.7 Å²	42.7	11%	0.112	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	129.1	173.8	176.3	176.6	-34.6	0	0	110.3	S655 L664 L713	Q652-S655 PolarHBondContact NE2-OG 3.08Å; Q652-L664 HydrophobicContact CB-CD1 4.42Å; Q652-L664 HydrophobicContact CG-CD1 3.72Å; Q652-L713 HydrophobicContact CB-CD2 3.9Å; Q652-L713 HydrophobicContact CG-CD2 3.68Å
653	Q	82.6	Confident	87.5	Confident	38 Å²	38	46.1 Å²	46.1	18%	0.178	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-18.4	175.9	-64.9	-56.7	-44	0	0	113	R65 E651 D665 T667	R65-Q653 PolarHBondContact NH2-O 2.9Å; R65-Q653 VanDerWaalsContact NH2-O 3.1Å; E651-Q653 PolarHBondContact O-N 3Å; Q653-D665 HydrophobicContact CB-CB 4.37Å; Q653-D665 PolarHBondContact N-O 2.86Å; Q653-T667 WeakPolarHBondContact CG-OG1 3.04Å; Q653-T667 PolarHBondContact NE2-OG1 2.64Å
654	G	83.6	Confident	87.7	Confident	20 Å²	20	44 Å²	44	21%	0.206	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.9	157.9	175.2	0	0	0	0	0	111.7	D665	G654-D665 PolarHBondContact N-O 3.09Å; G654-D665 PolarHBondContact O-N 3.39Å
655	S	90.3	Very high	87.6	Confident	16 Å²	16	40 Å²	40	11%	0.112	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	155.7	175.5	62	0	0	0	0	110.2	G570 Q652 R663	G570-S655 WeakPolarHBondContact CA-O 3.21Å; Q652-S655 PolarHBondContact NE2-OG 3.08Å; S655-R663 CarbonylContact C-O 3.54Å; S655-R663 VanDerWaalsContact CA-O 3.29Å; S655-R663 WeakPolarHBondContact CA-O 3.44Å
656	H	90.5	Very high	87.4	Confident	52 Å²	52	38 Å²	38	24%	0.241	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	128.2	165.3	-178.3	75.5	0	0	0	108.7	G570 R663	G570-H656 CarbonylContact O-C 3.54Å; G570-H656 VanDerWaalsContact O-CA 3.27Å; G570-H656 WeakPolarHBondContact O-CA 3.36Å; H656-R663 HydrophobicContact CB-CB 4.32Å; H656-R663 PolarHBondContact N-O 2.68Å; H656-R663 PolarHBondContact O-N 3.13Å
657	L	92.3	Very high	87.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	136.4	179.2	65.6	93.9	0	0	0	112.3	G570 Q571 A572 C628 K631 H632 Q661	G570-L657 PolarHBondContact O-N 3.28Å; Q571-L657 HydrophobicContact CB-CD1 3.73Å; Q571-L657 HydrophobicContact CB-CG 4.11Å; Q571-L657 HydrophobicContact CG-CD1 3.71Å; A572-L657 WeakPolarHBondContact CB-O 3.34Å; A572-L657 PolarHBondContact N-O 3.49Å; C628-L657 HydrophobicContact CB-CD1 4.27Å; C628-L657 WeakPolarHBondContact O-CD1 3.14Å; K631-L657 HydrophobicContact CB-CB 4.17Å; K631-L657 HydrophobicContact CB-CD1 4.35Å; H632-L657 HydrophobicContact CB-CD1 4.21Å; H632-L657 HydrophobicContact CB-CD2 3.86Å; L657-Q661 WeakPolarHBondContact CA-O 3.46Å
658	N	89.9	Confident	86.8	Confident	28 Å²	28	35.3 Å²	35.3	15%	0.15	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	173.5	170.7	61.4	34.8	0	0	0	107.6	A572 K631 E660 Q661	A572-N658 HydrophobicContact CB-CB 3.89Å; K631-N658 WeakPolarHBondContact CD-O 3.13Å; K631-N658 WeakPolarHBondContact CE-O 3.44Å; N658-E660 PolarHBondContact O-N 2.95Å; N658-E660 WeakPolarHBondContact OD1-CA 3.44Å; N658-E660 PolarHBondContact OD1-N 3.45Å; N658-E660 PolarHBondContact OD1-OE2 2.99Å; N658-Q661 PolarHBondContact N-O 3.48Å; N658-Q661 VanDerWaalsContact N-O 3.08Å; N658-Q661 PolarHBondContact O-N 3.32Å; N658-Q661 VanDerWaalsContact O-O 3.09Å; N658-Q661 PolarHBondContact OD1-N 3.34Å
659	P	84.9	Confident	86.6	Confident	17 Å²	17	38.4 Å²	38.4	11%	0.11	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.9	-177	-33.4	45.7	0	0	0	115.7	W624 A627 C628 K631	W624-P659 HydrophobicContact CD2-CG 3.5Å; W624-P659 HydrophobicContact CE3-CB 4.21Å; W624-P659 HydrophobicContact CE3-CG 3.4Å; W624-P659 VanDerWaalsContact CE3-CG 3.4Å; W624-P659 HydrophobicContact CG-CG 4.02Å; W624-P659 VanDerWaalsContact CH2-CD 3.49Å; W624-P659 HydrophobicContact CH2-CG 4.1Å; W624-P659 HydrophobicContact CZ2-CG 4.2Å; W624-P659 HydrophobicContact CZ3-CB 4.31Å; W624-P659 HydrophobicContact CZ3-CG 3.7Å; A627-P659 HydrophobicContact CB-CB 3.57Å; A627-P659 HydrophobicContact CB-CG 3.86Å; C628-P659 VanDerWaalsContact SG-CD 3.58Å; K631-P659 VanDerWaalsContact CE-O 3.27Å; K631-P659 WeakPolarHBondContact CE-O 2.96Å; K631-P659 VanDerWaalsContact NZ-C 3.34Å; K631-P659 PolarHBondContact NZ-O 3.49Å
660	E	82.7	Confident	86.5	Confident	109 Å²	109	41.1 Å²	41.1	51%	0.509	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-29.6	-178.6	-59.5	73.9	-157.7	0	0	113.4	N658	N658-E660 PolarHBondContact O-N 2.95Å; N658-E660 WeakPolarHBondContact OD1-CA 3.44Å; N658-E660 PolarHBondContact OD1-N 3.45Å; N658-E660 PolarHBondContact OD1-OE2 2.99Å
661	Q	81.6	Confident	86.4	Confident	80 Å²	80	43 Å²	43	37%	0.374	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	137.4	-168.4	-172.3	175	30	0	0	112.5	L657 N658	L657-Q661 WeakPolarHBondContact CA-O 3.46Å; N658-Q661 PolarHBondContact N-O 3.48Å; N658-Q661 VanDerWaalsContact N-O 3.08Å; N658-Q661 PolarHBondContact O-N 3.32Å; N658-Q661 VanDerWaalsContact O-O 3.09Å; N658-Q661 PolarHBondContact OD1-N 3.34Å
662	L	94.6	Very high	86.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119	161.9	-171.2	171.1	0	0	0	108.4	K631 A634 L638 L664 L763 L779 A780	K631-L662 HydrophobicContact CB-CB 4.47Å; K631-L662 HydrophobicContact CB-CD1 4.16Å; K631-L662 HydrophobicContact CB-CG 4.49Å; K631-L662 HydrophobicContact CD-CB 4.3Å; K631-L662 HydrophobicContact CG-CB 4.29Å; K631-L662 HydrophobicContact CG-CD1 4.4Å; K631-L662 WeakPolarHBondContact O-CD1 3.23Å; A634-L662 HydrophobicContact CB-CD1 4.11Å; L638-L662 HydrophobicContact CD2-CD2 4.21Å; L662-L664 HydrophobicContact CD2-CB 4.26Å; L662-L763 HydrophobicContact CD1-CD1 4.41Å; L662-L779 WeakPolarHBondContact O-CA 3.35Å; L662-A780 HydrophobicContact CB-CB 4.44Å; L662-A780 WeakPolarHBondContact CB-O 3.44Å; L662-A780 HydrophobicContact CD2-CB 4.26Å; L662-A780 PolarHBondContact N-O 2.97Å; L662-A780 PolarHBondContact O-N 3.13Å
663	R	95.3	Very high	87.1	Confident	72 Å²	72	39.3 Å²	39.3	27%	0.272	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.5	174	-175.3	-168.9	89	-170.2	-0.8	109.6	S655 H656 D665 R777 L778 L779	S655-R663 CarbonylContact C-O 3.54Å; S655-R663 VanDerWaalsContact CA-O 3.29Å; S655-R663 WeakPolarHBondContact CA-O 3.44Å; H656-R663 HydrophobicContact CB-CB 4.32Å; H656-R663 PolarHBondContact N-O 2.68Å; H656-R663 PolarHBondContact O-N 3.13Å; R663-D665 IonicContact NE-OD2 2.82Å; R663-R777 HydrophobicContact CG-CG 3.96Å; R663-L778 WeakPolarHBondContact CA-O 3.4Å; R663-L779 HydrophobicContact CB-CD2 4.1Å; R663-L779 HydrophobicContact CG-CD2 4.05Å
664	L	94.8	Very high	87.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.4	175.5	-176.3	64.5	0	0	0	110	T635 L638 N639 L642 Q652 L662 V666 L778	T635-L664 HydrophobicContact CG2-CD1 3.97Å; L638-L664 HydrophobicContact CB-CD2 4.43Å; L638-L664 HydrophobicContact CD2-CB 4.37Å; L638-L664 HydrophobicContact CD2-CD2 3.83Å; L638-L664 HydrophobicContact CG-CD2 3.89Å; N639-L664 HydrophobicContact CB-CD2 4.47Å; L642-L664 HydrophobicContact CD1-CD2 3.85Å; Q652-L664 HydrophobicContact CB-CD1 4.42Å; Q652-L664 HydrophobicContact CG-CD1 3.72Å; L662-L664 HydrophobicContact CD2-CB 4.26Å; L664-V666 HydrophobicContact CD1-CG1 4.47Å; L664-V666 HydrophobicContact CD2-CG1 3.87Å; L664-V666 HydrophobicContact CG-CG1 3.81Å; L664-L778 PolarHBondContact N-O 2.73Å; L664-L778 PolarHBondContact O-N 3.39Å
665	D	91.3	Very high	88.4	Confident	13 Å²	13	43.3 Å²	43.3	7%	0.07	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.6	174.4	-62.8	-22.1	0	0	0	108.3	Q653 G654 R663 R777	Q653-D665 HydrophobicContact CB-CB 4.37Å; Q653-D665 PolarHBondContact N-O 2.86Å; G654-D665 PolarHBondContact N-O 3.09Å; G654-D665 PolarHBondContact O-N 3.39Å; R663-D665 IonicContact NE-OD2 2.82Å; D665-R777 WeakPolarHBondContact OD1-CA 3.4Å; D665-R777 VanDerWaalsContact OD1-CB 3.24Å; D665-R777 WeakPolarHBondContact OD1-CB 3.43Å; D665-R777 WeakPolarHBondContact OD1-CG 3.44Å; D665-R777 IonicContact OD1-CZ 2.71Å; D665-R777 IonicContact OD1-NE 3.07Å; D665-R777 PolarHBondContact OD1-NE 3.15Å; D665-R777 IonicContact OD1-NH2 3.36Å; D665-R777 PolarHBondContact OD1-NH2 3.3Å; D665-R777 IonicContact OD2-CZ 2.68Å; D665-R777 IonicContact OD2-NE 3.89Å; D665-R777 IonicContact OD2-NH2 3.94Å; D665-R777 PolarHBondContact OD2-NH2 2.97Å
666	V	89.9	Confident	88.7	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	150.7	-176.5	-67.7	0	0	0	0	112.6	L642 T650 E651 L664 T668 T775 T776 L778	L642-V666 HydrophobicContact CD1-CG1 3.91Å; L642-V666 HydrophobicContact CD1-CG2 4.33Å; T650-V666 HydrophobicContact CG2-CB 4.26Å; E651-V666 CarbonylContact O-C 3.18Å; E651-V666 WeakPolarHBondContact O-CA 3.33Å; L664-V666 HydrophobicContact CD1-CG1 4.47Å; L664-V666 HydrophobicContact CD2-CG1 3.87Å; L664-V666 HydrophobicContact CG-CG1 3.81Å; V666-T668 HydrophobicContact CG2-CG2 3.86Å; V666-T775 WeakPolarHBondContact O-CA 3.41Å; V666-T776 PolarHBondContact N-O 2.6Å; V666-T776 PolarHBondContact O-N 3.38Å; V666-L778 HydrophobicContact CG2-CD1 4.33Å
667	T	84.3	Confident	89	Confident	12 Å²	12	42.6 Å²	42.6	7%	0.074	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	124.6	171.2	-49.7	0	0	0	0	110.3	F340 T650 E651 Q653 G774	F340-T667 HydrophobicContact CE2-CG2 4.2Å; F340-T667 HydrophobicContact CZ-CG2 4.16Å; T650-T667 WeakPolarHBondContact CA-O 3.34Å; T650-T667 PolarHBondContact OG1-O 3.2Å; E651-T667 PolarHBondContact O-N 3.49Å; E651-T667 PolarHBondContact O-OG1 3.4Å; Q653-T667 WeakPolarHBondContact CG-OG1 3.04Å; Q653-T667 PolarHBondContact NE2-OG1 2.64Å; T667-G774 CarbonylContact C-O 3.42Å; T667-G774 WeakPolarHBondContact CA-O 3.48Å; T667-G774 WeakPolarHBondContact CG2-O 3.34Å
668	T	82.1	Confident	89.2	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.025	24%	0.235	C	C	.	.			trans	-139.2	130.1	-178	55	0	0	0	0	110.2	L646 V666 L672 G774 T776	L646-T668 HydrophobicContact CD1-CG2 4.15Å; V666-T668 HydrophobicContact CG2-CG2 3.86Å; T668-L672 HydrophobicContact CG2-CD1 3.82Å; T668-G774 PolarHBondContact N-O 2.94Å; T668-G774 CarbonylContact O-C 3.59Å; T668-G774 VanDerWaalsContact O-C 3.3Å; T668-G774 WeakPolarHBondContact O-CA 3.48Å; T668-T776 WeakPolarHBondContact OG1-CB 3.19Å; T668-T776 PolarHBondContact OG1-OG1 2.88Å
669	Q	72.8	Confident	89.6	Confident	161 Å²	161	46.7 Å²	46.7	75%	0.752	24%	0.243	S	C	*	.	S	Bend	trans	-65.4	-43.4	177.3	-65.4	-179.5	-0.3	0	0	111.9
670	T	76.1	Confident	90.2	Very high	98 Å²	98	45.9 Å²	45.9	60%	0.601	24%	0.237	S	C	*	.	S	Bend	trans	-133.2	166.1	-179.6	56.1	0	0	0	0	110.8
671	A	83.9	Confident	90.9	Very high	48 Å²	48	40.7 Å²	40.7	40%	0.397	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-62.8	136.2	173.6	0	0	0	0	0	110.4	T673	A671-T673 PolarHBondContact O-N 3.27Å
672	L	91.1	Very high	91.7	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-65.3	134.6	-177	-70.2	81	0	0	0	110.9	L642 L646 T668 L677 T776 R842	L642-L672 HydrophobicContact CD2-CD2 3.9Å; L646-L672 HydrophobicContact CD1-CD2 4.24Å; L646-L672 HydrophobicContact CD1-CG 4.31Å; T668-L672 HydrophobicContact CG2-CD1 3.82Å; L672-L677 HydrophobicContact CB-CD2 4.14Å; L672-L677 HydrophobicContact CB-CG 3.99Å; L672-L677 HydrophobicContact CD2-CD2 3.75Å; L672-L677 HydrophobicContact CD2-CG 4.33Å; L672-T776 HydrophobicContact CD1-CG2 3.83Å; L672-R842 PolarHBondContact O-NH1 3.31Å
673	T	94.3	Very high	91.8	Very high	54 Å²	54	42 Å²	42	33%	0.331	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-78.2	159.7	174	82.1	0	0	0	0	111.5	A671 E675 Q676 L677	A671-T673 PolarHBondContact O-N 3.27Å; T673-E675 WeakPolarHBondContact CB-OE2 3.4Å; T673-E675 PolarHBondContact O-N 3.36Å; T673-E675 PolarHBondContact OG1-N 2.91Å; T673-E675 PolarHBondContact OG1-OE2 2.83Å; T673-Q676 PolarHBondContact O-N 3.29Å; T673-Q676 PolarHBondContact OG1-N 2.88Å; T673-L677 WeakPolarHBondContact O-CG 3.48Å; T673-L677 PolarHBondContact O-N 3.38Å
674	P	96.4	Very high	91.9	Very high	29 Å²	29	38.6 Å²	38.6	19%	0.188	21%	0.211	C	C	.	.	H	α-helix	trans	-54.2	-37.7	172.5	-25.7	35.9	0	0	0	113.2	L677 R678 W839 R842 E843	P674-L677 PolarHBondContact O-N 3.11Å; P674-R678 WeakPolarHBondContact O-CB 3.49Å; P674-R678 PolarHBondContact O-N 3.48Å; P674-W839 HydrophobicContact CB-CB 4.24Å; P674-W839 WeakPolarHBondContact O-CB 3.34Å; P674-R842 HydrophobicContact CG-CB 4.11Å; P674-E843 HydrophobicContact CB-CG 4.17Å
675	E	97	Very high	91.9	Very high	112 Å²	112	40.4 Å²	40.4	52%	0.523	22%	0.219	S	C	.	.	H	α-helix	trans	-66.6	-43.2	179	-57.7	72.8	-157.2	0	0	111.5	T673 R678 A679	T673-E675 WeakPolarHBondContact CB-OE2 3.4Å; T673-E675 PolarHBondContact O-N 3.36Å; T673-E675 PolarHBondContact OG1-N 2.91Å; T673-E675 PolarHBondContact OG1-OE2 2.83Å; E675-R678 PolarHBondContact O-N 3.4Å; E675-A679 WeakPolarHBondContact O-CB 3.37Å; E675-A679 PolarHBondContact O-N 3.42Å
676	Q	96.4	Very high	92.2	Very high	53 Å²	53	45 Å²	45	25%	0.248	24%	0.24	C	C	.	.	H	α-helix	trans	-64.5	-45.1	175.7	-70.6	173.4	-35.1	0	0	111.4	T645 L646 T673 R678 A679 V680	T645-Q676 HydrophobicContact CG2-CB 4.18Å; T645-Q676 HydrophobicContact CG2-CG 4.3Å; L646-Q676 HydrophobicContact CD2-CB 4.39Å; L646-Q676 HydrophobicContact CD2-CG 4.24Å; T673-Q676 PolarHBondContact O-N 3.29Å; T673-Q676 PolarHBondContact OG1-N 2.88Å; Q676-R678 VanDerWaalsContact C-N 3.32Å; Q676-R678 PolarHBondContact O-N 3.12Å; Q676-A679 PolarHBondContact O-N 3.13Å; Q676-V680 VanDerWaalsContact O-CG2 3.29Å; Q676-V680 WeakPolarHBondContact O-CG2 3.16Å; Q676-V680 PolarHBondContact O-N 3.44Å
677	L	97.1	Very high	92.5	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-58.8	-43.5	176.1	-75.8	170.9	0	0	0	111.7	L672 T673 P674 V680 E681 I765 L778 Q838 W839	L672-L677 HydrophobicContact CB-CD2 4.14Å; L672-L677 HydrophobicContact CB-CG 3.99Å; L672-L677 HydrophobicContact CD2-CD2 3.75Å; L672-L677 HydrophobicContact CD2-CG 4.33Å; T673-L677 WeakPolarHBondContact O-CG 3.48Å; T673-L677 PolarHBondContact O-N 3.38Å; P674-L677 PolarHBondContact O-N 3.11Å; L677-V680 PolarHBondContact O-N 2.94Å; L677-E681 PolarHBondContact O-N 3.18Å; L677-E681 VanDerWaalsContact O-N 3.08Å; L677-I765 HydrophobicContact CD2-CD1 4.02Å; L677-I765 HydrophobicContact CD2-CG2 4.21Å; L677-L778 HydrophobicContact CD2-CD2 4.34Å; L677-Q838 HydrophobicContact CD1-CB 4.49Å; L677-Q838 HydrophobicContact CD1-CG 3.94Å; L677-W839 HydrophobicContact CB-CB 3.84Å
678	R	97.6	Very high	93.1	Very high	76 Å²	76	45 Å²	45	29%	0.287	24%	0.241	S	C	.	.	H	α-helix	trans	-64.7	-42.8	175.7	-170.6	-171.5	-69.4	150.1	-0.7	111.7	P674 E675 Q676 V680 E681 N682 W839 E843	P674-R678 WeakPolarHBondContact O-CB 3.49Å; P674-R678 PolarHBondContact O-N 3.48Å; E675-R678 PolarHBondContact O-N 3.4Å; Q676-R678 VanDerWaalsContact C-N 3.32Å; Q676-R678 PolarHBondContact O-N 3.12Å; R678-V680 VanDerWaalsContact C-N 3.34Å; R678-V680 PolarHBondContact O-N 3.24Å; R678-E681 PolarHBondContact O-N 2.67Å; R678-N682 WeakPolarHBondContact O-CB 3.3Å; R678-N682 PolarHBondContact O-N 3.24Å; R678-N682 PolarHBondContact O-OD1 3.08Å; R678-W839 HydrophobicContact CB-CB 4.31Å; R678-W839 HydrophobicContact CB-CD2 3.94Å; R678-W839 HydrophobicContact CB-CG 3.84Å; R678-W839 HydrophobicContact CG-CD2 4.03Å; R678-W839 HydrophobicContact CG-CG 4.39Å; R678-W839 HydrophobicContact CG-CZ2 4.19Å; R678-W839 VanDerWaalsContact CZ-CZ3 3.45Å; R678-E843 IonicContact CZ-OE1 2.93Å; R678-E843 IonicContact CZ-OE2 3.97Å; R678-E843 IonicContact NH1-OE1 3.34Å; R678-E843 IonicContact NH2-OE1 2.85Å; R678-E843 PolarHBondContact NH2-OE1 3.13Å; R678-E843 IonicContact NH2-OE2 3.28Å; R678-E843 PolarHBondContact NH2-OE2 3.41Å
679	A	97.9	Very high	93.8	Very high	37 Å²	37	51.4 Å²	51.4	31%	0.306	27%	0.271	S	S	.	.	H	α-helix	trans	-61.5	-41.6	178.2	0	0	0	0	0	112.1	T645 E675 Q676 N682 T683	T645-A679 HydrophobicContact CG2-CB 4.07Å; E675-A679 WeakPolarHBondContact O-CB 3.37Å; E675-A679 PolarHBondContact O-N 3.42Å; Q676-A679 PolarHBondContact O-N 3.13Å; A679-N682 PolarHBondContact O-N 2.88Å; A679-T683 WeakPolarHBondContact O-CB 3.46Å; A679-T683 PolarHBondContact O-N 3Å; A679-T683 PolarHBondContact O-OG1 2.59Å
680	V	97.6	Very high	94.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-50.9	174.9	172.1	0	0	0	0	110.9	L638 A641 L642 T645 Q676 L677 R678 N682 T683 V684 I765	L638-V680 HydrophobicContact CD1-CG1 3.54Å; A641-V680 HydrophobicContact CB-CG1 3.99Å; L642-V680 HydrophobicContact CD2-CG1 4.07Å; L642-V680 HydrophobicContact CD2-CG2 3.84Å; L642-V680 HydrophobicContact CG-CG1 4.02Å; L642-V680 HydrophobicContact CG-CG2 4.35Å; T645-V680 HydrophobicContact CG2-CG2 4.04Å; T645-V680 WeakPolarHBondContact OG1-CG2 3.42Å; Q676-V680 VanDerWaalsContact O-CG2 3.29Å; Q676-V680 WeakPolarHBondContact O-CG2 3.16Å; Q676-V680 PolarHBondContact O-N 3.44Å; L677-V680 PolarHBondContact O-N 2.94Å; R678-V680 VanDerWaalsContact C-N 3.34Å; R678-V680 PolarHBondContact O-N 3.24Å; V680-N682 VanDerWaalsContact C-N 3.34Å; V680-N682 PolarHBondContact O-N 3.46Å; V680-T683 PolarHBondContact O-N 2.86Å; V680-V684 WeakPolarHBondContact O-CG2 3.45Å; V680-V684 PolarHBondContact O-N 2.9Å; V680-I765 HydrophobicContact CB-CD1 4.49Å; V680-I765 HydrophobicContact CG1-CD1 4.01Å
681	E	96.9	Very high	95.9	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-58.4	-45.1	177.7	-78.1	-172.1	-173.4	0	0	112.1	L677 R678 T683 V684 Q685 I765 R790 W839	L677-E681 PolarHBondContact O-N 3.18Å; L677-E681 VanDerWaalsContact O-N 3.08Å; R678-E681 PolarHBondContact O-N 2.67Å; E681-T683 VanDerWaalsContact C-N 3.34Å; E681-T683 PolarHBondContact O-N 2.72Å; E681-V684 PolarHBondContact O-N 3.1Å; E681-Q685 WeakPolarHBondContact O-CB 3.41Å; E681-Q685 PolarHBondContact O-N 3.26Å; E681-I765 HydrophobicContact CG-CB 4.43Å; E681-I765 HydrophobicContact CG-CD1 4.05Å; E681-I765 HydrophobicContact CG-CG1 3.98Å; E681-I765 WeakPolarHBondContact OE1-CB 3.4Å; E681-I765 PolarHBondContact OE1-N 3.36Å; E681-R790 IonicContact OE2-CZ 3.3Å; E681-R790 IonicContact OE2-NH1 2.77Å; E681-R790 PolarHBondContact OE2-NH1 2.96Å; E681-R790 IonicContact OE2-NH2 3.19Å; E681-W839 PolarHBondContact OE2-NE1 3.35Å
682	N	97.1	Very high	96.5	Very high	78 Å²	78	48.3 Å²	48.3	42%	0.417	24%	0.242	S	C	.	.	H	α-helix	trans	-61.2	-43.6	178.3	-72.3	-8.5	0	0	0	111.5	R678 A679 V680 V684 Q685 E686	R678-N682 WeakPolarHBondContact O-CB 3.3Å; R678-N682 PolarHBondContact O-N 3.24Å; R678-N682 PolarHBondContact O-OD1 3.08Å; A679-N682 PolarHBondContact O-N 2.88Å; V680-N682 VanDerWaalsContact C-N 3.34Å; V680-N682 PolarHBondContact O-N 3.46Å; N682-V684 VanDerWaalsContact C-N 3.33Å; N682-V684 PolarHBondContact O-N 3.25Å; N682-Q685 PolarHBondContact O-N 3.06Å; N682-Q685 VanDerWaalsContact O-N 3.16Å; N682-E686 WeakPolarHBondContact O-CG 3.35Å; N682-E686 PolarHBondContact O-N 3.12Å
683	T	97.4	Very high	96.8	Very high	29 Å²	29	50 Å²	50	18%	0.178	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-41.7	178.5	-59.5	0	0	0	0	111.4	W640 A641 A679 V680 E681 A687	W640-T683 HydrophobicContact CE3-CG2 4.11Å; W640-T683 HydrophobicContact CH2-CG2 3.53Å; W640-T683 HydrophobicContact CZ2-CG2 4.43Å; W640-T683 HydrophobicContact CZ3-CG2 3.34Å; A641-T683 HydrophobicContact CB-CG2 3.74Å; A679-T683 WeakPolarHBondContact O-CB 3.46Å; A679-T683 PolarHBondContact O-N 3Å; A679-T683 PolarHBondContact O-OG1 2.59Å; V680-T683 PolarHBondContact O-N 2.86Å; E681-T683 VanDerWaalsContact C-N 3.34Å; E681-T683 PolarHBondContact O-N 2.72Å; T683-A687 PolarHBondContact O-N 2.93Å
684	V	97.4	Very high	97	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-44.7	173.8	176.1	0	0	0	0	110.7	L637 A641 V680 E681 N682 E686 A687 V688 L763	L637-V684 HydrophobicContact CB-CG1 4.06Å; L637-V684 HydrophobicContact CB-CG2 4.34Å; L637-V684 HydrophobicContact CD1-CG1 4.39Å; A641-V684 HydrophobicContact CB-CG2 3.61Å; V680-V684 WeakPolarHBondContact O-CG2 3.45Å; V680-V684 PolarHBondContact O-N 2.9Å; E681-V684 PolarHBondContact O-N 3.1Å; N682-V684 VanDerWaalsContact C-N 3.33Å; N682-V684 PolarHBondContact O-N 3.25Å; V684-E686 VanDerWaalsContact C-N 3.34Å; V684-E686 PolarHBondContact O-N 3.25Å; V684-A687 WeakPolarHBondContact O-CB 3.41Å; V684-A687 PolarHBondContact O-N 3.06Å; V684-A687 VanDerWaalsContact O-N 3.14Å; V684-V688 HydrophobicContact CG1-CG2 4.31Å; V684-V688 WeakPolarHBondContact O-CG2 3.49Å; V684-V688 PolarHBondContact O-N 2.9Å; V684-L763 HydrophobicContact CB-CD2 4.47Å; V684-L763 HydrophobicContact CG1-CB 3.91Å; V684-L763 HydrophobicContact CG1-CD1 4.34Å; V684-L763 HydrophobicContact CG1-CD2 4.21Å; V684-L763 HydrophobicContact CG1-CG 4.36Å
685	Q	95.8	Very high	97.1	Very high	39 Å²	39	50.3 Å²	50.3	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-62.2	-40.9	-179	-171.4	59.4	34.3	0	0	112.2	E681 N682 A687 V688 Q689 D762	E681-Q685 WeakPolarHBondContact O-CB 3.41Å; E681-Q685 PolarHBondContact O-N 3.26Å; N682-Q685 PolarHBondContact O-N 3.06Å; N682-Q685 VanDerWaalsContact O-N 3.16Å; Q685-A687 VanDerWaalsContact C-N 3.34Å; Q685-V688 PolarHBondContact O-N 3.04Å; Q685-Q689 WeakPolarHBondContact O-CB 3.41Å; Q685-Q689 VanDerWaalsContact O-CG 3.28Å; Q685-Q689 WeakPolarHBondContact O-CG 3.5Å; Q685-Q689 PolarHBondContact O-N 3.25Å; Q685-D762 PolarHBondContact OE1-OD1 3.38Å
686	E	96.6	Very high	97.1	Very high	108 Å²	108	47.1 Å²	47.1	51%	0.505	23%	0.232	S	C	.	.	H	α-helix	trans	-60.7	-43.6	173.5	-73.9	172.8	-164.7	0	0	111.3	N682 V684 V688 Q689 Q690	N682-E686 WeakPolarHBondContact O-CG 3.35Å; N682-E686 PolarHBondContact O-N 3.12Å; V684-E686 VanDerWaalsContact C-N 3.34Å; V684-E686 PolarHBondContact O-N 3.25Å; E686-V688 VanDerWaalsContact C-N 3.33Å; E686-V688 PolarHBondContact O-N 3.15Å; E686-Q689 PolarHBondContact O-N 2.85Å; E686-Q690 VanDerWaalsContact O-CG 3.24Å; E686-Q690 WeakPolarHBondContact O-CG 3.44Å; E686-Q690 PolarHBondContact O-N 3.22Å
687	A	95.8	Very high	97.1	Very high	8 Å²	8	48.4 Å²	48.4	7%	0.066	24%	0.238	C	C	.	.	H	α-helix	trans	-65.2	-35.5	176.8	0	0	0	0	0	112.8	L637 W640 T683 V684 Q685 T757	L637-A687 HydrophobicContact CD1-CB 4.48Å; L637-A687 HydrophobicContact CD2-CB 4.14Å; W640-A687 HydrophobicContact CZ3-CB 4.13Å; T683-A687 PolarHBondContact O-N 2.93Å; V684-A687 WeakPolarHBondContact O-CB 3.41Å; V684-A687 PolarHBondContact O-N 3.06Å; V684-A687 VanDerWaalsContact O-N 3.14Å; Q685-A687 VanDerWaalsContact C-N 3.34Å; A687-T757 WeakPolarHBondContact O-CB 3.4Å; A687-T757 PolarHBondContact O-OG1 2.92Å
688	V	96.8	Very high	97	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.03	26%	0.261	C	S	.	.	H	α-helix	trans	-67.8	-45.4	173.4	172.6	0	0	0	0	110.7	L637 V684 Q685 E686 Q690 D691 G758 V760 G761	L637-V688 HydrophobicContact CD1-CG2 3.91Å; V684-V688 HydrophobicContact CG1-CG2 4.31Å; V684-V688 WeakPolarHBondContact O-CG2 3.49Å; V684-V688 PolarHBondContact O-N 2.9Å; Q685-V688 PolarHBondContact O-N 3.04Å; E686-V688 VanDerWaalsContact C-N 3.33Å; E686-V688 PolarHBondContact O-N 3.15Å; V688-Q690 VanDerWaalsContact C-N 3.33Å; V688-Q690 PolarHBondContact O-N 3.07Å; V688-D691 PolarHBondContact O-N 3.17Å; V688-G758 VanDerWaalsContact O-CA 3.3Å; V688-G758 WeakPolarHBondContact O-CA 3.38Å; V688-V760 HydrophobicContact CG1-CB 4.41Å; V688-V760 HydrophobicContact CG2-CB 3.9Å; V688-V760 HydrophobicContact CG2-CG1 4.02Å; V688-G761 WeakPolarHBondContact CG1-O 3.35Å
689	Q	96.8	Very high	96.8	Very high	138 Å²	138	50.4 Å²	50.4	65%	0.645	25%	0.251	S	S	*	.	H	α-helix	trans	-64.8	-33	179.2	-75.2	174	-0.2	0	0	113.6	Q685 E686 D691	Q685-Q689 WeakPolarHBondContact O-CB 3.41Å; Q685-Q689 VanDerWaalsContact O-CG 3.28Å; Q685-Q689 WeakPolarHBondContact O-CG 3.5Å; Q685-Q689 PolarHBondContact O-N 3.25Å; E686-Q689 PolarHBondContact O-N 2.85Å; Q689-D691 PolarHBondContact O-N 2.92Å
690	Q	96.8	Very high	96.7	Very high	108 Å²	108	52 Å²	52	51%	0.505	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.4	174.2	-72.7	170.2	17.9	0	0	112.9	E686 V688 K692	E686-Q690 VanDerWaalsContact O-CG 3.24Å; E686-Q690 WeakPolarHBondContact O-CG 3.44Å; E686-Q690 PolarHBondContact O-N 3.22Å; V688-Q690 VanDerWaalsContact C-N 3.33Å; V688-Q690 PolarHBondContact O-N 3.07Å; Q690-K692 VanDerWaalsContact C-N 3.27Å; Q690-K692 HydrophobicContact CB-CD 4.37Å; Q690-K692 HydrophobicContact CB-CG 4.1Å; Q690-K692 PolarHBondContact O-N 2.9Å
691	D	97.1	Very high	96.3	Very high	53 Å²	53	54.2 Å²	54.2	28%	0.283	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	45	49.7	178	-173.3	42.5	0	0	0	113	V688 Q689 R756 T757 G758	V688-D691 PolarHBondContact O-N 3.17Å; Q689-D691 PolarHBondContact O-N 2.92Å; D691-R756 PolarHBondContact O-NE 2.6Å; D691-R756 PolarHBondContact O-NH2 2.98Å; D691-R756 WeakPolarHBondContact OD1-CB 3.18Å; D691-R756 IonicContact OD1-NE 2.81Å; D691-R756 PolarHBondContact OD1-NE 3.22Å; D691-R756 IonicContact OD2-CZ 2.7Å; D691-R756 VanDerWaalsContact OD2-CZ 3.3Å; D691-R756 IonicContact OD2-NE 3.4Å; D691-R756 PolarHBondContact OD2-NE 2.56Å; D691-R756 IonicContact OD2-NH2 3.52Å; D691-R756 PolarHBondContact OD2-NH2 3.42Å; D691-T757 WeakPolarHBondContact CA-OG1 3.49Å; D691-G758 WeakPolarHBondContact OD1-CA 3.4Å; D691-G758 PolarHBondContact OD1-N 3.15Å
692	K	97	Very high	96	Very high	82 Å²	82	57.9 Å²	57.9	36%	0.357	30%	0.3	S	S	.	.			trans	-72.4	147	-177.2	-76.8	175	167.8	166.4	0	110.9	Q690 V726 R756 T757	Q690-K692 VanDerWaalsContact C-N 3.27Å; Q690-K692 HydrophobicContact CB-CD 4.37Å; Q690-K692 HydrophobicContact CB-CG 4.1Å; Q690-K692 PolarHBondContact O-N 2.9Å; K692-V726 HydrophobicContact CB-CG1 4.42Å; K692-R756 CarbonylContact O-C 3.57Å; K692-R756 VanDerWaalsContact O-CA 3.32Å; K692-R756 WeakPolarHBondContact O-CA 3.31Å; K692-T757 HydrophobicContact CB-CG2 4.47Å; K692-T757 PolarHBondContact N-OG1 3.31Å; K692-T757 PolarHBondContact O-N 3.48Å
693	P	97.8	Very high	95.7	Very high	40 Å²	40	59 Å²	59	26%	0.26	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-63.3	148.2	172.5	26.9	-34.2	0	0	0	111.3	Y695 G727 L755	P693-Y695 HydrophobicContact CB-CE2 4Å; P693-Y695 HydrophobicContact CG-CE2 3.58Å; P693-Y695 WeakPolarHBondContact CG-OH 3.42Å; P693-G727 WeakPolarHBondContact O-CA 3.42Å; P693-G727 PolarHBondContact O-N 3.46Å; P693-L755 WeakPolarHBondContact CA-O 3.4Å
694	V	98.3	Very high	95.3	Very high	8 Å²	8	58.3 Å²	58.3	5%	0.048	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	111.2	173.4	-178.3	0	0	0	0	108.1	T633 M696 V724 V726 H753 L754 L755 T757	T633-V694 HydrophobicContact CG2-CG2 4.24Å; V694-M696 HydrophobicContact CG1-CG 4.45Å; V694-V724 HydrophobicContact CG1-CG1 3.73Å; V694-V726 HydrophobicContact CG2-CG2 4.49Å; V694-H753 HydrophobicContact CG1-CB 4.32Å; V694-L754 WeakPolarHBondContact CB-O 3.32Å; V694-L754 WeakPolarHBondContact CG2-O 3.45Å; V694-L755 PolarHBondContact N-O 3.33Å; V694-T757 HydrophobicContact CG2-CG2 4.16Å
695	Y	97.9	Very high	94.5	Very high	80 Å²	80	61 Å²	61	31%	0.314	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	139.1	179.6	-60.7	-86.3	0	0	0	110.2	P693 V724 S725 V728 P729	P693-Y695 HydrophobicContact CB-CE2 4Å; P693-Y695 HydrophobicContact CG-CE2 3.58Å; P693-Y695 WeakPolarHBondContact CG-OH 3.42Å; Y695-V724 WeakPolarHBondContact O-CA 3.32Å; Y695-S725 PolarHBondContact N-O 3.47Å; Y695-S725 PolarHBondContact O-N 2.94Å; Y695-V728 WeakPolarHBondContact CD2-O 3.4Å; Y695-P729 HydrophobicContact CE1-CG 4.27Å; Y695-P729 HydrophobicContact CE2-CG 4.32Å
696	M	96.9	Very high	93.6	Very high	45 Å²	45	67.6 Å²	67.6	22%	0.222	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	119.6	-178.5	-63	170.3	-79.8	0	0	108.7	V694 R722 V723 V724 H753 L755	V694-M696 HydrophobicContact CG1-CG 4.45Å; M696-R722 PolarHBondContact SD-NH2 3.47Å; M696-V723 WeakPolarHBondContact CA-O 3.36Å; M696-V724 HydrophobicContact CG-CG1 4.25Å; M696-V724 HydrophobicContact CG-CG2 4.18Å; M696-H753 HydrophobicContact SD-CB 3.81Å; M696-L755 HydrophobicContact CE-CD2 3.48Å; M696-L755 VanDerWaalsContact CE-CD2 3.48Å
697	E	96.1	Very high	93.2	Very high	81 Å²	81	63.1 Å²	63.1	38%	0.379	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	146.3	-178.8	-65.8	176.8	-150.7	0	0	110.3	V699 R722 V723 V730	E697-V699 HydrophobicContact CB-CG1 4.38Å; E697-R722 WeakPolarHBondContact O-CA 3.42Å; E697-V723 PolarHBondContact N-O 3.06Å; E697-V723 VanDerWaalsContact N-O 3.12Å; E697-V723 PolarHBondContact O-N 3.38Å; E697-V730 HydrophobicContact CB-CB 3.98Å; E697-V730 HydrophobicContact CB-CG1 4.12Å; E697-V730 HydrophobicContact CB-CG2 3.92Å; E697-V730 HydrophobicContact CG-CB 4.06Å; E697-V730 HydrophobicContact CG-CG2 3.97Å
698	E	95.1	Very high	92.6	Very high	106 Å²	106	65.6 Å²	65.6	50%	0.495	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	128.1	166.7	-69.2	-172.7	160.6	0	0	108.8	P720 V721 R722	E698-P720 HydrophobicContact CB-CB 4.23Å; E698-P720 HydrophobicContact CB-CG 4.38Å; E698-V721 WeakPolarHBondContact CA-O 3.28Å; E698-R722 HydrophobicContact CG-CB 4.31Å; E698-R722 HydrophobicContact CG-CG 4.41Å
699	V	94.8	Very high	92.1	Very high	13 Å²	13	65.8 Å²	65.8	8%	0.079	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	154.8	-176.8	-58.3	0	0	0	0	109.9	E697 L701 T704 P720 V721 V723 V730 L734	E697-V699 HydrophobicContact CB-CG1 4.38Å; V699-L701 PolarHBondContact O-N 2.79Å; V699-T704 HydrophobicContact CG2-CG2 3.82Å; V699-P720 CarbonylContact O-C 3.3Å; V699-P720 WeakPolarHBondContact O-CA 3.4Å; V699-P720 WeakPolarHBondContact O-CB 3.26Å; V699-V721 HydrophobicContact CG2-CG1 3.95Å; V699-V721 PolarHBondContact N-O 3.23Å; V699-V721 PolarHBondContact O-N 2.84Å; V699-V723 HydrophobicContact CG2-CG2 3.59Å; V699-V730 HydrophobicContact CG1-CG1 3.92Å; V699-L734 HydrophobicContact CB-CD1 4.24Å; V699-L734 HydrophobicContact CG1-CD1 3.97Å; V699-L734 HydrophobicContact CG2-CD1 3.8Å
700	P	93.9	Very high	91.8	Very high	70 Å²	70	60.3 Å²	60.3	46%	0.455	33%	0.328	S	S	.	.			trans	-56.1	131.1	170.1	-23.8	32.4	0	0	0	111.4	A702 L703 D719	P700-A702 PolarHBondContact O-N 3.5Å; P700-A702 VanDerWaalsContact O-N 3.12Å; P700-L703 HydrophobicContact CB-CG 4.26Å; P700-L703 HydrophobicContact CG-CD1 4.23Å; P700-L703 HydrophobicContact CG-CG 4.48Å; P700-L703 WeakPolarHBondContact O-CB 3.23Å; P700-L703 PolarHBondContact O-N 3.05Å; P700-D719 WeakPolarHBondContact CA-OD1 3.4Å
701	L	90.9	Very high	91.5	Very high	46 Å²	46	56 Å²	56	24%	0.241	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-57	-31.5	-178.2	-179.7	62.7	0	0	0	112.1	V699 L703 T704 D719 V721	V699-L701 PolarHBondContact O-N 2.79Å; L701-L703 PolarHBondContact O-N 3.36Å; L701-T704 PolarHBondContact O-N 3.28Å; L701-T704 VanDerWaalsContact O-N 3.12Å; L701-T704 PolarHBondContact O-OG1 2.98Å; L701-D719 HydrophobicContact CB-CB 4.02Å; L701-D719 PolarHBondContact N-OD1 3.22Å; L701-V721 HydrophobicContact CB-CB 4.47Å; L701-V721 HydrophobicContact CB-CG1 4.27Å; L701-V721 HydrophobicContact CD1-CB 3.95Å; L701-V721 HydrophobicContact CD1-CG1 3.83Å; L701-V721 HydrophobicContact CD1-CG2 4.31Å
702	A	89.8	Confident	90.9	Very high	78 Å²	78	57.4 Å²	57.4	65%	0.645	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-60.6	-28	176.3	0	0	0	0	0	113.8	P700 T704 A705	P700-A702 PolarHBondContact O-N 3.5Å; P700-A702 VanDerWaalsContact O-N 3.12Å; A702-T704 VanDerWaalsContact C-N 3.28Å; A702-T704 PolarHBondContact O-N 3.09Å; A702-A705 WeakPolarHBondContact O-CB 3.43Å; A702-A705 PolarHBondContact O-N 3.33Å
703	L	89.9	Confident	90.1	Very high	102 Å²	102	55.4 Å²	55.4	53%	0.534	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-75.2	-18.3	178.6	-63	-175.6	0	0	0	113.1	P700 L701 A705	P700-L703 HydrophobicContact CB-CG 4.26Å; P700-L703 HydrophobicContact CG-CD1 4.23Å; P700-L703 HydrophobicContact CG-CG 4.48Å; P700-L703 WeakPolarHBondContact O-CB 3.23Å; P700-L703 PolarHBondContact O-N 3.05Å; L701-L703 PolarHBondContact O-N 3.36Å; L703-A705 VanDerWaalsContact C-N 3.32Å
704	T	89.6	Confident	89	Confident	15 Å²	15	57.1 Å²	57.1	9%	0.092	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-86	-14	179.2	72.6	0	0	0	0	111.6	V699 L701 A702 L710 V721 V723 L734 L748	V699-T704 HydrophobicContact CG2-CG2 3.82Å; L701-T704 PolarHBondContact O-N 3.28Å; L701-T704 VanDerWaalsContact O-N 3.12Å; L701-T704 PolarHBondContact O-OG1 2.98Å; A702-T704 VanDerWaalsContact C-N 3.28Å; A702-T704 PolarHBondContact O-N 3.09Å; T704-L710 HydrophobicContact CG2-CD2 4.44Å; T704-L710 WeakPolarHBondContact O-CD2 3.23Å; T704-V721 HydrophobicContact CG2-CG1 3.66Å; T704-V723 HydrophobicContact CG2-CG2 4.04Å; T704-L734 HydrophobicContact CG2-CD2 4.39Å; T704-L748 HydrophobicContact CG2-CD2 3.81Å
705	A	80.9	Confident	87.9	Confident	55 Å²	55	61.6 Å²	61.6	46%	0.455	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	135	172.7	0	0	0	0	0	109.7	A702 L703 V707	A702-A705 WeakPolarHBondContact O-CB 3.43Å; A702-A705 PolarHBondContact O-N 3.33Å; L703-A705 VanDerWaalsContact C-N 3.32Å; A705-V707 VanDerWaalsContact C-N 3.32Å; A705-V707 PolarHBondContact O-N 3.15Å
706	Q	77.9	Confident	86.9	Confident	179 Å²	179	61.1 Å²	61.1	84%	0.836	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	11.8	174.3	-43.8	176.3	24.2	0	0	116.4	P708	Q706-P708 VanDerWaalsContact O-CD 3.24Å; Q706-P708 WeakPolarHBondContact O-CD 3.46Å
707	V	87.1	Confident	86.3	Confident	13 Å²	13	60.7 Å²	60.7	8%	0.079	34%	0.342	C	S	.	.			trans	-78.6	112.9	173.8	-179.1	0	0	0	0	110.5	A705 G709 L710 A733 L734 A741	A705-V707 VanDerWaalsContact C-N 3.32Å; A705-V707 PolarHBondContact O-N 3.15Å; V707-G709 PolarHBondContact O-N 3.04Å; V707-L710 HydrophobicContact CB-CB 3.89Å; V707-L710 HydrophobicContact CB-CD2 4.23Å; V707-L710 HydrophobicContact CG1-CB 3.9Å; V707-L710 WeakPolarHBondContact O-CB 3.48Å; V707-L710 PolarHBondContact O-N 2.62Å; V707-A733 WeakPolarHBondContact CG1-O 3.41Å; V707-L734 HydrophobicContact CG1-CD2 4.46Å; V707-L734 HydrophobicContact CG2-CB 4.39Å; V707-L734 HydrophobicContact CG2-CD2 4.07Å; V707-A741 HydrophobicContact CG1-CB 4.19Å
708	P	84.3	Confident	85.9	Confident	60 Å²	60	58 Å²	58	39%	0.39	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	125.3	-176.9	-19.7	33.8	0	0	0	111.7	Q706 L710 A741 L742	Q706-P708 VanDerWaalsContact O-CD 3.24Å; Q706-P708 WeakPolarHBondContact O-CD 3.46Å; P708-L710 VanDerWaalsContact C-N 3.32Å; P708-L710 PolarHBondContact O-N 2.99Å; P708-A741 WeakPolarHBondContact O-CB 3.43Å; P708-L742 HydrophobicContact CB-CD1 4.39Å
709	G	85.7	Confident	85.5	Confident	10 Å²	10	57 Å²	57	10%	0.103	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-9.3	177.5	0	0	0	0	0	115.4	V707 R711 A741	V707-G709 PolarHBondContact O-N 3.04Å; G709-R711 PolarHBondContact O-N 3.09Å; G709-A741 CarbonylContact C-O 3.54Å; G709-A741 VanDerWaalsContact O-O 3.12Å
710	L	90.3	Very high	85.4	Confident	23 Å²	23	59.2 Å²	59.2	12%	0.12	34%	0.344	C	S	.	.			trans	-58.4	129.3	168.9	177.8	71.4	0	0	0	109	T704 V707 P708 L734 V746 L748	T704-L710 HydrophobicContact CG2-CD2 4.44Å; T704-L710 WeakPolarHBondContact O-CD2 3.23Å; V707-L710 HydrophobicContact CB-CB 3.89Å; V707-L710 HydrophobicContact CB-CD2 4.23Å; V707-L710 HydrophobicContact CG1-CB 3.9Å; V707-L710 WeakPolarHBondContact O-CB 3.48Å; V707-L710 PolarHBondContact O-N 2.62Å; P708-L710 VanDerWaalsContact C-N 3.32Å; P708-L710 PolarHBondContact O-N 2.99Å; L710-L734 HydrophobicContact CD1-CD2 4.4Å; L710-L734 HydrophobicContact CD2-CD2 4.48Å; L710-V746 HydrophobicContact CD1-CB 4.37Å; L710-V746 HydrophobicContact CD1-CG1 3.69Å; L710-L748 HydrophobicContact CD1-CD2 4.31Å; L710-L748 HydrophobicContact CD2-CD2 4.07Å; L710-L748 HydrophobicContact CD2-CG 4.41Å
711	R	90	Very high	85.4	Confident	17 Å²	17	56 Å²	56	6%	0.064	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-101.7	137	179.9	-61	176.7	-62.8	-71.6	-4.8	110.6	G709 T744 S745 V746 E747 L748	G709-R711 PolarHBondContact O-N 3.09Å; R711-T744 PolarHBondContact NH1-O 2.9Å; R711-S745 PolarHBondContact NH2-OG 3.46Å; R711-V746 PolarHBondContact N-O 2.68Å; R711-V746 VanDerWaalsContact NH2-N 3.13Å; R711-E747 HydrophobicContact CB-CB 4.47Å; R711-E747 HydrophobicContact CB-CG 3.96Å; R711-E747 IonicContact CZ-OE1 2.78Å; R711-E747 VanDerWaalsContact CZ-OE1 3.29Å; R711-E747 IonicContact NE-OE1 3.77Å; R711-E747 PolarHBondContact NE-OE1 2.61Å; R711-E747 IonicContact NH2-OE1 3.87Å; R711-E747 PolarHBondContact NH2-OE1 2.79Å; R711-E747 CarbonylContact O-C 3.55Å; R711-E747 WeakPolarHBondContact O-CA 3.13Å; R711-L748 PolarHBondContact O-N 2.88Å
712	C	84.9	Confident	85.6	Confident	82 Å²	82	54.8 Å²	54.8	55%	0.554	32%	0.315	S	S	*	.			trans	-140.9	160.7	174.6	56.9	0	0	0	0	108.6	Y717 L748	C712-Y717 HydrophobicContact CB-CE2 4.05Å; C712-L748 HydrophobicContact CB-CB 4.32Å; C712-L748 HydrophobicContact CB-CD1 3.75Å; C712-L748 HydrophobicContact CB-CG 4Å
713	L	80.2	Confident	85.9	Confident	40 Å²	40	51.1 Å²	51.1	21%	0.209	29%	0.285	C	S	.	.			trans	-95.1	162.7	169.8	-62.1	176.5	0	0	0	109.3	Q652 E715 Y717	Q652-L713 HydrophobicContact CB-CD2 3.9Å; Q652-L713 HydrophobicContact CG-CD2 3.68Å; L713-E715 HydrophobicContact CB-CG 4.04Å; L713-E715 PolarHBondContact O-N 3.36Å; L713-Y717 PolarHBondContact N-OH 3.37Å; L713-Y717 WeakPolarHBondContact O-CE2 3.33Å
714	D	73.6	Confident	86.3	Confident	76 Å²	76	46.4 Å²	46.4	41%	0.406	26%	0.26	S	S	.	.	S	Bend	trans	-75	66.2	172.7	-174.2	24.7	0	0	0	110.9	S63 R67	S63-D714 WeakPolarHBondContact CB-OD2 3.48Å; R67-D714 WeakPolarHBondContact CD-O 3.49Å; R67-D714 IonicContact CZ-OD1 3.89Å; R67-D714 PolarHBondContact NE-O 3.22Å; R67-D714 IonicContact NE-OD1 3.92Å; R67-D714 PolarHBondContact NE-OD1 2.89Å; R67-D714 IonicContact NE-OD2 3.16Å; R67-D714 IonicContact NH2-OD1 3.6Å; R67-D714 PolarHBondContact NH2-OD1 3.48Å
715	E	76.3	Confident	86.6	Confident	103 Å²	103	45.7 Å²	45.7	48%	0.481	26%	0.256	S	S	.	.	S	Bend	trans	-130.1	161.5	-176.9	-66.6	-175.3	-179.8	0	0	111.2	L713 Y717	L713-E715 HydrophobicContact CB-CG 4.04Å; L713-E715 PolarHBondContact O-N 3.36Å; E715-Y717 HydrophobicContact CB-CE2 4.35Å; E715-Y717 WeakPolarHBondContact O-CD2 3.23Å
716	V	76.9	Confident	87.4	Confident	69 Å²	69	43.3 Å²	43.3	42%	0.418	24%	0.236	S	C	.	.			trans	-85.2	114.9	172.4	-179.4	0	0	0	0	108.2	M96	M96-V716 HydrophobicContact CE-CG2 3.98Å
717	Y	84.4	Confident	88.3	Confident	37 Å²	37	36 Å²	36	15%	0.145	21%	0.208	C	C	.	.			trans	-91.8	144.1	177.9	-70.4	-85.7	0	0	0	111.5	C712 L713 E715 V721 L748	C712-Y717 HydrophobicContact CB-CE2 4.05Å; L713-Y717 PolarHBondContact N-OH 3.37Å; L713-Y717 WeakPolarHBondContact O-CE2 3.33Å; E715-Y717 HydrophobicContact CB-CE2 4.35Å; E715-Y717 WeakPolarHBondContact O-CD2 3.23Å; Y717-V721 HydrophobicContact CD1-CG2 3.74Å; Y717-V721 HydrophobicContact CG-CG2 4.08Å; Y717-L748 HydrophobicContact CD1-CB 4Å; Y717-L748 HydrophobicContact CD1-CD1 4.25Å; Y717-L748 HydrophobicContact CD2-CD1 3.97Å; Y717-L748 HydrophobicContact CE1-CB 3.44Å; Y717-L748 VanDerWaalsContact CE1-CB 3.44Å; Y717-L748 HydrophobicContact CE1-CD1 4.22Å; Y717-L748 HydrophobicContact CE1-CG 4.48Å; Y717-L748 HydrophobicContact CE2-CB 4.4Å; Y717-L748 HydrophobicContact CE2-CD1 3.94Å; Y717-L748 HydrophobicContact CG-CD1 4.11Å
718	P	87.3	Confident	88.8	Confident	25 Å²	25	36.9 Å²	36.9	16%	0.162	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-70.6	160.5	170.6	31.4	-34.9	0	0	0	111.4	R93 P720 V721	R93-P718 HydrophobicContact CB-CB 3.76Å; P718-P720 CarbonylContact C-O 3.58Å; P718-P720 CarbonylContact O-C 3.59Å; P718-P720 VanDerWaalsContact O-C 3.32Å; P718-V721 WeakPolarHBondContact O-CA 3.43Å; P718-V721 WeakPolarHBondContact O-CB 3.2Å; P718-V721 PolarHBondContact O-N 3.27Å
719	D	87.8	Confident	89.4	Confident	83 Å²	83	36.7 Å²	36.7	44%	0.444	21%	0.213	S	C	.	.	S	Bend	trans	-120.5	116.8	169.6	-168.9	17.6	0	0	0	109.4	R93 P700 L701	R93-D719 PolarHBondContact O-N 3.36Å; P700-D719 WeakPolarHBondContact CA-OD1 3.4Å; L701-D719 HydrophobicContact CB-CB 4.02Å; L701-D719 PolarHBondContact N-OD1 3.22Å
720	P	91.9	Very high	89.9	Confident	60 Å²	60	36.2 Å²	36.2	39%	0.39	21%	0.208	S	C	.	.	S	Bend	cis	-69	151.7	4	31.2	-36.4	0	0	0	113.5	E698 V699 P718	E698-P720 HydrophobicContact CB-CB 4.23Å; E698-P720 HydrophobicContact CB-CG 4.38Å; V699-P720 CarbonylContact O-C 3.3Å; V699-P720 WeakPolarHBondContact O-CA 3.4Å; V699-P720 WeakPolarHBondContact O-CB 3.26Å; P718-P720 CarbonylContact C-O 3.58Å; P718-P720 CarbonylContact O-C 3.59Å; P718-P720 VanDerWaalsContact O-C 3.32Å
721	V	93.1	Very high	90.1	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	145.1	176.3	69.5	0	0	0	0	110.5	E698 V699 L701 T704 Y717 P718 L748	E698-V721 WeakPolarHBondContact CA-O 3.28Å; V699-V721 HydrophobicContact CG2-CG1 3.95Å; V699-V721 PolarHBondContact N-O 3.23Å; V699-V721 PolarHBondContact O-N 2.84Å; L701-V721 HydrophobicContact CB-CB 4.47Å; L701-V721 HydrophobicContact CB-CG1 4.27Å; L701-V721 HydrophobicContact CD1-CB 3.95Å; L701-V721 HydrophobicContact CD1-CG1 3.83Å; L701-V721 HydrophobicContact CD1-CG2 4.31Å; T704-V721 HydrophobicContact CG2-CG1 3.66Å; Y717-V721 HydrophobicContact CD1-CG2 3.74Å; Y717-V721 HydrophobicContact CG-CG2 4.08Å; P718-V721 WeakPolarHBondContact O-CA 3.43Å; P718-V721 WeakPolarHBondContact O-CB 3.2Å; P718-V721 PolarHBondContact O-N 3.27Å; V721-L748 HydrophobicContact CG1-CD2 4.19Å; V721-L748 HydrophobicContact CG2-CB 4.31Å; V721-L748 HydrophobicContact CG2-CD1 4.28Å; V721-L748 HydrophobicContact CG2-CD2 4.1Å; V721-L748 HydrophobicContact CG2-CG 4.46Å
722	R	94.9	Very high	90.3	Very high	22 Å²	22	43.1 Å²	43.1	8%	0.083	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.8	177	-167.6	166.5	179.4	-96.7	11.5	111.4	Y516 M696 E697 E698 C749 G751	Y516-R722 VanDerWaalsContact CD1-NH2 3.34Å; Y516-R722 VanDerWaalsContact CE1-CZ 3.45Å; M696-R722 PolarHBondContact SD-NH2 3.47Å; E697-R722 WeakPolarHBondContact O-CA 3.42Å; E698-R722 HydrophobicContact CG-CB 4.31Å; E698-R722 HydrophobicContact CG-CG 4.41Å; R722-C749 PolarHBondContact NH1-O 3.38Å; R722-C749 PolarHBondContact O-N 2.66Å; R722-G751 PolarHBondContact NH1-O 2.92Å
723	V	96.9	Very high	90.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.9	177.9	179.5	0	0	0	0	109.7	M696 E697 V699 T704 V730 L734 V746 E747 L748	M696-V723 WeakPolarHBondContact CA-O 3.36Å; E697-V723 PolarHBondContact N-O 3.06Å; E697-V723 VanDerWaalsContact N-O 3.12Å; E697-V723 PolarHBondContact O-N 3.38Å; V699-V723 HydrophobicContact CG2-CG2 3.59Å; T704-V723 HydrophobicContact CG2-CG2 4.04Å; V723-V730 HydrophobicContact CB-CG1 3.88Å; V723-V730 HydrophobicContact CB-CG2 4.46Å; V723-V730 HydrophobicContact CG1-CG1 3.9Å; V723-V730 HydrophobicContact CG1-CG2 4.29Å; V723-L734 HydrophobicContact CG1-CD2 4.34Å; V723-L734 HydrophobicContact CG2-CD1 4.25Å; V723-L734 HydrophobicContact CG2-CD2 4.46Å; V723-V746 HydrophobicContact CG1-CG1 4.04Å; V723-E747 WeakPolarHBondContact CA-O 3.4Å; V723-L748 HydrophobicContact CG2-CD2 3.76Å
724	V	97.4	Very high	91.4	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.024	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.2	175.1	-176	0	0	0	0	108.5	V694 Y695 M696 V746 E747 C749	V694-V724 HydrophobicContact CG1-CG1 3.73Å; Y695-V724 WeakPolarHBondContact O-CA 3.32Å; M696-V724 HydrophobicContact CG-CG1 4.25Å; M696-V724 HydrophobicContact CG-CG2 4.18Å; V724-V746 CarbonylContact O-C 3.51Å; V724-V746 VanDerWaalsContact O-CA 3.3Å; V724-V746 WeakPolarHBondContact O-CA 3.43Å; V724-E747 PolarHBondContact N-O 2.87Å; V724-E747 PolarHBondContact O-N 2.76Å; V724-C749 HydrophobicContact CG2-CB 3.82Å
725	S	97.7	Very high	92.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.1	-174.7	-178	0	0	0	0	111.3	Y695 V728 S745	Y695-S725 PolarHBondContact N-O 3.47Å; Y695-S725 PolarHBondContact O-N 2.94Å; S725-V728 WeakPolarHBondContact CB-O 3.31Å; S725-V728 PolarHBondContact OG-O 2.99Å; S725-S745 WeakPolarHBondContact CA-O 3.29Å
726	V	97.7	Very high	92.6	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.03	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.7	-178.6	176.6	0	0	0	0	110.5	L637 K692 V694 V728 T744 S745 T757	L637-V726 HydrophobicContact CD2-CG1 4.16Å; L637-V726 HydrophobicContact CD2-CG2 4.22Å; K692-V726 HydrophobicContact CB-CG1 4.42Å; V694-V726 HydrophobicContact CG2-CG2 4.49Å; V726-V728 PolarHBondContact O-N 3.16Å; V726-T744 WeakPolarHBondContact O-CG2 3.32Å; V726-T744 PolarHBondContact O-OG1 3.24Å; V726-T744 VanDerWaalsContact O-OG1 3.11Å; V726-S745 PolarHBondContact N-O 3.45Å; V726-T757 HydrophobicContact CG1-CG2 3.56Å
727	G	96.7	Very high	93.1	Very high	25 Å²	25	38.4 Å²	38.4	26%	0.258	24%	0.241	S	C	.	.	S	Bend	trans	73.7	-9.1	173.3	0	0	0	0	0	115.9	P693	P693-G727 WeakPolarHBondContact O-CA 3.42Å; P693-G727 PolarHBondContact O-N 3.46Å
728	V	96.5	Very high	93.3	Very high	31 Å²	31	37.2 Å²	37.2	19%	0.188	24%	0.238	C	C	.	.	S	Bend	trans	-126.7	129.8	-178.6	-178	0	0	0	0	109.6	Y695 S725 V726 H732 A733 A740 T744	Y695-V728 WeakPolarHBondContact CD2-O 3.4Å; S725-V728 WeakPolarHBondContact CB-O 3.31Å; S725-V728 PolarHBondContact OG-O 2.99Å; V726-V728 PolarHBondContact O-N 3.16Å; V728-H732 HydrophobicContact CG1-CB 4.04Å; V728-A733 HydrophobicContact CG1-CB 4.18Å; V728-A740 HydrophobicContact CB-CB 4.46Å; V728-A740 HydrophobicContact CG1-CB 3.91Å; V728-A740 HydrophobicContact CG2-CB 4.27Å; V728-T744 HydrophobicContact CG2-CG2 4.04Å
729	P	97.3	Very high	93.4	Very high	57 Å²	57	42 Å²	42	37%	0.37	26%	0.259	S	S	.	.			trans	-55.7	143.8	174.8	-25.8	35	0	0	0	112.3	Y695 A731 H732 A733	Y695-P729 HydrophobicContact CE1-CG 4.27Å; Y695-P729 HydrophobicContact CE2-CG 4.32Å; P729-A731 VanDerWaalsContact C-N 3.31Å; P729-A731 PolarHBondContact O-N 3.24Å; P729-H732 PolarHBondContact O-N 3.45Å; P729-A733 PolarHBondContact O-N 3.18Å
730	V	96.5	Very high	93.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-43	-173.7	173.2	0	0	0	0	111.2	E697 V699 V723 H732 A733 L734	E697-V730 HydrophobicContact CB-CB 3.98Å; E697-V730 HydrophobicContact CB-CG1 4.12Å; E697-V730 HydrophobicContact CB-CG2 3.92Å; E697-V730 HydrophobicContact CG-CB 4.06Å; E697-V730 HydrophobicContact CG-CG2 3.97Å; V699-V730 HydrophobicContact CG1-CG1 3.92Å; V723-V730 HydrophobicContact CB-CG1 3.88Å; V723-V730 HydrophobicContact CB-CG2 4.46Å; V723-V730 HydrophobicContact CG1-CG1 3.9Å; V723-V730 HydrophobicContact CG1-CG2 4.29Å; V730-H732 VanDerWaalsContact C-N 3.25Å; V730-H732 PolarHBondContact O-N 3.46Å; V730-A733 PolarHBondContact O-N 2.6Å; V730-L734 HydrophobicContact CG1-CD1 3.57Å; V730-L734 HydrophobicContact CG1-CG 3.99Å; V730-L734 WeakPolarHBondContact O-CG 3.32Å; V730-L734 PolarHBondContact O-N 2.89Å
731	A	94.4	Very high	93.4	Very high	78 Å²	78	35.7 Å²	35.7	65%	0.645	22%	0.223	S	C	*	.	H	α-helix	trans	-55	-37.3	176.7	0	0	0	0	0	113.8	P729	P729-A731 VanDerWaalsContact C-N 3.31Å; P729-A731 PolarHBondContact O-N 3.24Å
732	H	94.7	Very high	93.2	Very high	107 Å²	107	38.8 Å²	38.8	50%	0.495	24%	0.239	S	C	.	.	H	α-helix	trans	-81.8	-29.2	177.1	-172.3	83.6	0	0	0	112.6	V728 P729 V730 L734 S738	V728-H732 HydrophobicContact CG1-CB 4.04Å; P729-H732 PolarHBondContact O-N 3.45Å; V730-H732 VanDerWaalsContact C-N 3.25Å; V730-H732 PolarHBondContact O-N 3.46Å; H732-L734 VanDerWaalsContact C-N 3.34Å; H732-S738 WeakPolarHBondContact O-CB 3.41Å; H732-S738 PolarHBondContact O-OG 3.04Å
733	A	93.5	Very high	93	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-72.2	-29.5	178	0	0	0	0	0	112.8	V707 V728 P729 V730 V746	V707-A733 WeakPolarHBondContact CG1-O 3.41Å; V728-A733 HydrophobicContact CG1-CB 4.18Å; P729-A733 PolarHBondContact O-N 3.18Å; V730-A733 PolarHBondContact O-N 2.6Å; A733-V746 HydrophobicContact CB-CG1 3.96Å; A733-V746 HydrophobicContact CB-CG2 4.05Å
734	L	93.5	Very high	92.8	Very high	15 Å²	15	44.6 Å²	44.6	8%	0.079	27%	0.268	C	S	.	.	S	Bend	trans	-92.4	-4.5	179.4	-61.2	179.9	0	0	0	114.1	V699 T704 V707 L710 V723 V730 H732 P736	V699-L734 HydrophobicContact CB-CD1 4.24Å; V699-L734 HydrophobicContact CG1-CD1 3.97Å; V699-L734 HydrophobicContact CG2-CD1 3.8Å; T704-L734 HydrophobicContact CG2-CD2 4.39Å; V707-L734 HydrophobicContact CG1-CD2 4.46Å; V707-L734 HydrophobicContact CG2-CB 4.39Å; V707-L734 HydrophobicContact CG2-CD2 4.07Å; L710-L734 HydrophobicContact CD1-CD2 4.4Å; L710-L734 HydrophobicContact CD2-CD2 4.48Å; V723-L734 HydrophobicContact CG1-CD2 4.34Å; V723-L734 HydrophobicContact CG2-CD1 4.25Å; V723-L734 HydrophobicContact CG2-CD2 4.46Å; V730-L734 HydrophobicContact CG1-CD1 3.57Å; V730-L734 HydrophobicContact CG1-CG 3.99Å; V730-L734 WeakPolarHBondContact O-CG 3.32Å; V730-L734 PolarHBondContact O-N 2.89Å; H732-L734 VanDerWaalsContact C-N 3.34Å; L734-P736 VanDerWaalsContact O-CD 3.26Å; L734-P736 WeakPolarHBondContact O-CD 3.38Å
735	D	90.3	Very high	92.7	Very high	72 Å²	72	44.5 Å²	44.5	39%	0.385	27%	0.268	S	S	.	.			trans	-61.9	120	172.1	-179.3	-10.8	0	0	0	109.2	A737 S738	D735-A737 PolarHBondContact O-N 2.99Å; D735-A737 VanDerWaalsContact O-N 3.1Å; D735-A737 WeakPolarHBondContact OD1-CB 3.49Å; D735-A737 PolarHBondContact OD1-N 2.87Å; D735-S738 WeakPolarHBondContact O-CA 3.45Å; D735-S738 WeakPolarHBondContact O-CB 3.23Å; D735-S738 PolarHBondContact O-N 3.23Å
736	P	84.8	Confident	92.6	Very high	93 Å²	93	44.5 Å²	44.5	60%	0.604	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21	179.5	-24.4	35.1	0	0	0	114.2	L734 S738	L734-P736 VanDerWaalsContact O-CD 3.26Å; L734-P736 WeakPolarHBondContact O-CD 3.38Å; P736-S738 VanDerWaalsContact C-N 3.34Å
737	A	87.4	Confident	92.5	Very high	89 Å²	89	44.8 Å²	44.8	74%	0.736	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-13.7	173.7	0	0	0	0	0	113.1	D735	D735-A737 PolarHBondContact O-N 2.99Å; D735-A737 VanDerWaalsContact O-N 3.1Å; D735-A737 WeakPolarHBondContact OD1-CB 3.49Å; D735-A737 PolarHBondContact OD1-N 2.87Å
738	S	88.6	Confident	92.4	Very high	13 Å²	13	44.3 Å²	44.3	9%	0.091	26%	0.26	C	S	.	.			trans	-80.8	143.8	-180	-176.4	0	0	0	0	111.9	H732 D735 P736 A740	H732-S738 WeakPolarHBondContact O-CB 3.41Å; H732-S738 PolarHBondContact O-OG 3.04Å; D735-S738 WeakPolarHBondContact O-CA 3.45Å; D735-S738 WeakPolarHBondContact O-CB 3.23Å; D735-S738 PolarHBondContact O-N 3.23Å; P736-S738 VanDerWaalsContact C-N 3.34Å; S738-A740 VanDerWaalsContact OG-CB 3.25Å; S738-A740 WeakPolarHBondContact OG-CB 3.35Å; S738-A740 PolarHBondContact OG-N 3.27Å; S738-A740 VanDerWaalsContact OG-N 3.12Å
739	Q	89.6	Confident	92.3	Very high	126 Å²	126	43.5 Å²	43.5	59%	0.589	26%	0.255	S	S	*	.			trans	-100.8	10	169.6	-64.7	-167.6	-14.8	0	0	112.4	A741 L742 Q743	Q739-A741 VanDerWaalsContact C-N 3.32Å; Q739-A741 PolarHBondContact O-N 3.5Å; Q739-L742 HydrophobicContact CB-CD1 4.49Å; Q739-L742 WeakPolarHBondContact O-CB 3.45Å; Q739-L742 PolarHBondContact O-N 3.42Å; Q739-Q743 PolarHBondContact O-N 3.29Å
740	A	90.6	Very high	92	Very high	8 Å²	8	43 Å²	43	7%	0.066	25%	0.253	C	S	.	.	H	α-helix	trans	-57.2	-43.1	-174.4	0	0	0	0	0	112.8	V728 S738 L742 Q743 T744	V728-A740 HydrophobicContact CB-CB 4.46Å; V728-A740 HydrophobicContact CG1-CB 3.91Å; V728-A740 HydrophobicContact CG2-CB 4.27Å; S738-A740 VanDerWaalsContact OG-CB 3.25Å; S738-A740 WeakPolarHBondContact OG-CB 3.35Å; S738-A740 PolarHBondContact OG-N 3.27Å; S738-A740 VanDerWaalsContact OG-N 3.12Å; A740-L742 PolarHBondContact O-N 2.9Å; A740-Q743 PolarHBondContact O-N 2.89Å; A740-T744 PolarHBondContact O-N 2.74Å
741	A	89.1	Confident	91.9	Very high	2 Å²	2	43 Å²	43	2%	0.017	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-14.6	-179.7	0	0	0	0	0	114.3	V707 P708 G709 Q739 V746	V707-A741 HydrophobicContact CG1-CB 4.19Å; P708-A741 WeakPolarHBondContact O-CB 3.43Å; G709-A741 CarbonylContact C-O 3.54Å; G709-A741 VanDerWaalsContact O-O 3.12Å; Q739-A741 VanDerWaalsContact C-N 3.32Å; Q739-A741 PolarHBondContact O-N 3.5Å; A741-V746 HydrophobicContact CB-CB 3.82Å; A741-V746 HydrophobicContact CB-CG1 4.34Å; A741-V746 HydrophobicContact CB-CG2 3.86Å
742	L	88.4	Confident	92	Very high	67 Å²	67	39.2 Å²	39.2	35%	0.351	22%	0.222	S	C	.	.	H	α-helix	trans	-85.7	-27.2	169.5	-65.9	168	0	0	0	112.7	Q644 P708 Q739 A740	Q644-L742 PolarHBondContact NE2-O 2.88Å; P708-L742 HydrophobicContact CB-CD1 4.39Å; Q739-L742 HydrophobicContact CB-CD1 4.49Å; Q739-L742 WeakPolarHBondContact O-CB 3.45Å; Q739-L742 PolarHBondContact O-N 3.42Å; A740-L742 PolarHBondContact O-N 2.9Å
743	Q	90.7	Very high	92.2	Very high	128 Å²	128	34.2 Å²	34.2	60%	0.598	20%	0.198	S	C	*	.	H	α-helix	trans	-94.6	-22.1	-173.5	-65.1	177.3	12.3	0	0	113.1	W640 Q739 A740	W640-Q743 VanDerWaalsContact CZ2-O 3.29Å; W640-Q743 WeakPolarHBondContact CZ2-O 3.47Å; W640-Q743 PolarHBondContact NE1-O 3.03Å; W640-Q743 VanDerWaalsContact NE1-O 3.12Å; Q739-Q743 PolarHBondContact O-N 3.29Å; A740-Q743 PolarHBondContact O-N 2.89Å
744	T	93.3	Very high	92.4	Very high	16 Å²	16	34.4 Å²	34.4	10%	0.098	20%	0.199	C	C	.	.	S	Bend	trans	-141.2	-178.4	179.5	-158.3	0	0	0	0	112.3	R711 V726 V728 A740 V746	R711-T744 PolarHBondContact NH1-O 2.9Å; V726-T744 WeakPolarHBondContact O-CG2 3.32Å; V726-T744 PolarHBondContact O-OG1 3.24Å; V726-T744 VanDerWaalsContact O-OG1 3.11Å; V728-T744 HydrophobicContact CG2-CG2 4.04Å; A740-T744 PolarHBondContact O-N 2.74Å; T744-V746 HydrophobicContact CG2-CG2 3.97Å; T744-V746 PolarHBondContact O-N 2.94Å
745	S	95.3	Very high	92.6	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.014	21%	0.206	C	C	.	.			trans	-80.8	111.4	-178.7	-169.5	0	0	0	0	111.1	H636 R711 S725 V726 E747	H636-S745 WeakPolarHBondContact CB-OG 3.34Å; H636-S745 PolarHBondContact O-OG 2.89Å; R711-S745 PolarHBondContact NH2-OG 3.46Å; S725-S745 WeakPolarHBondContact CA-O 3.29Å; V726-S745 PolarHBondContact N-O 3.45Å; S745-E747 PolarHBondContact OG-OE1 3.14Å
746	V	96.1	Very high	92.9	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	117.4	174.7	-169.9	0	0	0	0	109.2	L710 R711 V723 V724 A733 A741 T744	L710-V746 HydrophobicContact CD1-CB 4.37Å; L710-V746 HydrophobicContact CD1-CG1 3.69Å; R711-V746 PolarHBondContact N-O 2.68Å; R711-V746 VanDerWaalsContact NH2-N 3.13Å; V723-V746 HydrophobicContact CG1-CG1 4.04Å; V724-V746 CarbonylContact O-C 3.51Å; V724-V746 VanDerWaalsContact O-CA 3.3Å; V724-V746 WeakPolarHBondContact O-CA 3.43Å; A733-V746 HydrophobicContact CB-CG1 3.96Å; A733-V746 HydrophobicContact CB-CG2 4.05Å; A741-V746 HydrophobicContact CB-CB 3.82Å; A741-V746 HydrophobicContact CB-CG1 4.34Å; A741-V746 HydrophobicContact CB-CG2 3.86Å; T744-V746 HydrophobicContact CG2-CG2 3.97Å; T744-V746 PolarHBondContact O-N 2.94Å
747	E	95.3	Very high	93.5	Very high	11 Å²	11	32.6 Å²	32.6	5%	0.051	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	151.3	-170.8	-45	-161.5	-171.4	0	0	113.4	H636 N639 R711 V723 V724 S745 C749	H636-E747 IonicContact CE1-OE2 3.59Å; H636-E747 PolarHBondContact CE1-OE2 2.88Å; H636-E747 VanDerWaalsContact CE1-OE2 3.25Å; H636-E747 IonicContact ND1-OE1 3.98Å; H636-E747 PolarHBondContact ND1-OE1 3.11Å; H636-E747 IonicContact ND1-OE2 3.82Å; H636-E747 PolarHBondContact ND1-OE2 2.99Å; N639-E747 PolarHBondContact ND2-OE1 2.99Å; N639-E747 VanDerWaalsContact ND2-OE1 3.1Å; N639-E747 PolarHBondContact ND2-OE2 2.96Å; R711-E747 HydrophobicContact CB-CB 4.47Å; R711-E747 HydrophobicContact CB-CG 3.96Å; R711-E747 IonicContact CZ-OE1 2.78Å; R711-E747 VanDerWaalsContact CZ-OE1 3.29Å; R711-E747 IonicContact NE-OE1 3.77Å; R711-E747 PolarHBondContact NE-OE1 2.61Å; R711-E747 IonicContact NH2-OE1 3.87Å; R711-E747 PolarHBondContact NH2-OE1 2.79Å; R711-E747 CarbonylContact O-C 3.55Å; R711-E747 WeakPolarHBondContact O-CA 3.13Å; V723-E747 WeakPolarHBondContact CA-O 3.4Å; V724-E747 PolarHBondContact N-O 2.87Å; V724-E747 PolarHBondContact O-N 2.76Å; S745-E747 PolarHBondContact OG-OE1 3.14Å; E747-C749 PolarHBondContact O-N 3.46Å
748	L	94.9	Very high	94	Very high	15 Å²	15	29.6 Å²	29.6	8%	0.079	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	111.6	165.1	-54.9	-171.6	0	0	0	109	T704 L710 R711 C712 Y717 V721 V723	T704-L748 HydrophobicContact CG2-CD2 3.81Å; L710-L748 HydrophobicContact CD1-CD2 4.31Å; L710-L748 HydrophobicContact CD2-CD2 4.07Å; L710-L748 HydrophobicContact CD2-CG 4.41Å; R711-L748 PolarHBondContact O-N 2.88Å; C712-L748 HydrophobicContact CB-CB 4.32Å; C712-L748 HydrophobicContact CB-CD1 3.75Å; C712-L748 HydrophobicContact CB-CG 4Å; Y717-L748 HydrophobicContact CD1-CB 4Å; Y717-L748 HydrophobicContact CD1-CD1 4.25Å; Y717-L748 HydrophobicContact CD2-CD1 3.97Å; Y717-L748 HydrophobicContact CE1-CB 3.44Å; Y717-L748 VanDerWaalsContact CE1-CB 3.44Å; Y717-L748 HydrophobicContact CE1-CD1 4.22Å; Y717-L748 HydrophobicContact CE1-CG 4.48Å; Y717-L748 HydrophobicContact CE2-CB 4.4Å; Y717-L748 HydrophobicContact CE2-CD1 3.94Å; Y717-L748 HydrophobicContact CG-CD1 4.11Å; V721-L748 HydrophobicContact CG1-CD2 4.19Å; V721-L748 HydrophobicContact CG2-CB 4.31Å; V721-L748 HydrophobicContact CG2-CD1 4.28Å; V721-L748 HydrophobicContact CG2-CD2 4.1Å; V721-L748 HydrophobicContact CG2-CG 4.46Å; V723-L748 HydrophobicContact CG2-CD2 3.76Å
749	C	94.4	Very high	94.3	Very high	13 Å²	13	31.4 Å²	31.4	9%	0.088	17%	0.171	C	C	.	.			trans	-151.5	128.3	-175.2	-171.2	0	0	0	0	113.4	H632 H636 R722 V724 E747 G751 H753	H632-C749 PolarHBondContact NE2-SG 2.82Å; H636-C749 PolarHBondContact NE2-SG 3.29Å; H636-C749 VanDerWaalsContact NE2-SG 3.44Å; R722-C749 PolarHBondContact NH1-O 3.38Å; R722-C749 PolarHBondContact O-N 2.66Å; V724-C749 HydrophobicContact CG2-CB 3.82Å; E747-C749 PolarHBondContact O-N 3.46Å; C749-G751 PolarHBondContact SG-N 2.94Å; C749-H753 PolarHBondContact SG-NE2 2.75Å; C749-H753 VanDerWaalsContact SG-NE2 3.42Å
750	C	91.5	Very high	94.6	Very high	46 Å²	46	25.5 Å²	25.5	31%	0.311	14%	0.143	S	C	.	.			trans	-93.2	8.2	175.4	63.8	0	0	0	0	113.5	Y516 Y565 Q568	Y516-C750 PolarHBondContact OH-O 2.93Å; Y565-C750 WeakPolarHBondContact CE2-O 3.33Å; Q568-C750 PolarHBondContact NE2-SG 3.39Å
751	G	94.1	Very high	94.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-69.2	165.4	-179.4	0	0	0	0	0	115.1	H632 R722 C749 H753	H632-G751 WeakPolarHBondContact CE1-CA 3.41Å; R722-G751 PolarHBondContact NH1-O 2.92Å; C749-G751 PolarHBondContact SG-N 2.94Å; G751-H753 PolarHBondContact O-CD2 3.22Å; G751-H753 VanDerWaalsContact O-CD2 3.26Å; G751-H753 PolarHBondContact O-NE2 3.08Å
752	T	96.8	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.157	C	C	.	.			trans	-88	131	164.3	56.2	0	0	0	0	109.5	Y518 Y565 Q571 M629	Y518-T752 HydrophobicContact CE1-CG2 4.33Å; Y565-T752 HydrophobicContact CD2-CG2 3.81Å; Y565-T752 HydrophobicContact CE2-CG2 4.46Å; Y565-T752 HydrophobicContact CG-CG2 4.41Å; Q571-T752 PolarHBondContact NE2-OG1 3.18Å; Q571-T752 PolarHBondContact OE1-OG1 2.81Å; M629-T752 WeakPolarHBondContact CA-O 3.18Å; M629-T752 VanDerWaalsContact CG-OG1 3.28Å; M629-T752 WeakPolarHBondContact CG-OG1 3.31Å
753	H	97.5	Very high	95.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	14%	0.14	C	C	.	.			trans	-124	153.5	-177.1	-58.4	-74.4	0	0	0	112.4	Y518 M629 H632 H636 V694 M696 C749 G751	Y518-H753 VanDerWaalsContact CE2-O 3.26Å; Y518-H753 WeakPolarHBondContact CE2-O 3.25Å; Y518-H753 PolarHBondContact OH-N 3.35Å; Y518-H753 PolarHBondContact OH-O 2.96Å; M629-H753 WeakPolarHBondContact CE-O 3.4Å; H632-H753 AromaticContact CD2-CE1 3.37Å; H632-H753 PolarHBondContact CD2-CE1 2.88Å; H632-H753 AromaticContact CE1-CE1 4Å; H632-H753 AromaticContact CG-CE1 3.52Å; H632-H753 AromaticContact CG-ND1 3.93Å; H632-H753 AromaticContact ND1-CE1 3.9Å; H632-H753 AromaticContact NE2-CE1 3.68Å; H636-H753 AromaticContact CD2-CE1 3.28Å; H636-H753 PolarHBondContact CD2-CE1 3.31Å; H636-H753 AromaticContact CD2-ND1 3.54Å; H636-H753 AromaticContact NE2-CE1 2.99Å; H636-H753 PolarHBondContact NE2-CE1 3.48Å; H636-H753 AromaticContact NE2-ND1 3.75Å; H636-H753 AromaticContact NE2-NE2 3.76Å; V694-H753 HydrophobicContact CG1-CB 4.32Å; M696-H753 HydrophobicContact SD-CB 3.81Å; C749-H753 PolarHBondContact SG-NE2 2.75Å; C749-H753 VanDerWaalsContact SG-NE2 3.42Å; G751-H753 PolarHBondContact O-CD2 3.22Å; G751-H753 VanDerWaalsContact O-CD2 3.26Å; G751-H753 PolarHBondContact O-NE2 3.08Å
754	L	97.8	Very high	95.8	Very high	5 Å²	5	17.8 Å²	17.8	3%	0.026	11%	0.112	C	C	.	.			trans	-60.9	147.4	163.3	-62.5	172.9	0	0	0	109.5	Y526 M629 A630 T633 V694 R756 A759 V760	Y526-L754 HydrophobicContact CE2-CD2 3.93Å; Y526-L754 WeakPolarHBondContact OH-CA 3.27Å; Y526-L754 WeakPolarHBondContact OH-CB 3.19Å; Y526-L754 WeakPolarHBondContact OH-CD2 3.44Å; M629-L754 HydrophobicContact CB-CD2 4.16Å; M629-L754 HydrophobicContact CB-CG 4.34Å; A630-L754 HydrophobicContact CB-CD1 3.99Å; T633-L754 HydrophobicContact CG2-CB 4.31Å; T633-L754 PolarHBondContact OG1-N 3.44Å; V694-L754 WeakPolarHBondContact CB-O 3.32Å; V694-L754 WeakPolarHBondContact CG2-O 3.45Å; L754-R756 VanDerWaalsContact C-N 3.34Å; L754-A759 VanDerWaalsContact CD1-C 3.45Å; L754-A759 HydrophobicContact CD1-CB 3.79Å; L754-A759 HydrophobicContact CD2-CB 4.05Å; L754-A759 HydrophobicContact CG-CB 4.35Å; L754-V760 HydrophobicContact CD1-CB 4.43Å; L754-V760 HydrophobicContact CD1-CG2 3.66Å
755	L	97.8	Very high	96.1	Very high	43 Å²	43	17 Å²	17	23%	0.225	11%	0.107	C	C	.	.	S	Bend	trans	-80.3	-15.7	176.6	-65.6	169.7	0	0	0	112.9	Y518 L520 Y526 P693 V694 M696	Y518-L755 HydrophobicContact CD2-CD1 4.33Å; Y518-L755 HydrophobicContact CD2-CG 4.43Å; Y518-L755 HydrophobicContact CE2-CD2 4.26Å; Y518-L755 HydrophobicContact CE2-CG 4.19Å; L520-L755 HydrophobicContact CB-CD1 3.91Å; Y526-L755 HydrophobicContact CE1-CB 4.4Å; Y526-L755 HydrophobicContact CE1-CD1 3.97Å; Y526-L755 HydrophobicContact CE1-CG 3.97Å; Y526-L755 PolarHBondContact OH-N 2.78Å; P693-L755 WeakPolarHBondContact CA-O 3.4Å; V694-L755 PolarHBondContact N-O 3.33Å; M696-L755 HydrophobicContact CE-CD2 3.48Å; M696-L755 VanDerWaalsContact CE-CD2 3.48Å
756	R	97.6	Very high	96.1	Very high	100 Å²	100	18.8 Å²	18.8	38%	0.377	12%	0.116	S	C	.	.	B	Isolated β-bridge	trans	-143.3	145.6	175.2	-53.9	-172.9	69.2	111.3	1.7	111.1	L520 D691 K692 L754 G758 A759	L520-R756 HydrophobicContact CD2-CG 4.29Å; D691-R756 PolarHBondContact O-NE 2.6Å; D691-R756 PolarHBondContact O-NH2 2.98Å; D691-R756 WeakPolarHBondContact OD1-CB 3.18Å; D691-R756 IonicContact OD1-NE 2.81Å; D691-R756 PolarHBondContact OD1-NE 3.22Å; D691-R756 IonicContact OD2-CZ 2.7Å; D691-R756 VanDerWaalsContact OD2-CZ 3.3Å; D691-R756 IonicContact OD2-NE 3.4Å; D691-R756 PolarHBondContact OD2-NE 2.56Å; D691-R756 IonicContact OD2-NH2 3.52Å; D691-R756 PolarHBondContact OD2-NH2 3.42Å; K692-R756 CarbonylContact O-C 3.57Å; K692-R756 VanDerWaalsContact O-CA 3.32Å; K692-R756 WeakPolarHBondContact O-CA 3.31Å; L754-R756 VanDerWaalsContact C-N 3.34Å; R756-G758 VanDerWaalsContact C-N 3.32Å; R756-G758 PolarHBondContact O-N 3.24Å; R756-A759 PolarHBondContact O-N 3.46Å
757	T	97.8	Very high	96.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-68.7	-27.5	-177.2	58.5	0	0	0	0	113.4	L637 A687 D691 K692 V694 V726 A759 V760	L637-T757 HydrophobicContact CD1-CG2 4.29Å; L637-T757 HydrophobicContact CD2-CG2 4.25Å; A687-T757 WeakPolarHBondContact O-CB 3.4Å; A687-T757 PolarHBondContact O-OG1 2.92Å; D691-T757 WeakPolarHBondContact CA-OG1 3.49Å; K692-T757 HydrophobicContact CB-CG2 4.47Å; K692-T757 PolarHBondContact N-OG1 3.31Å; K692-T757 PolarHBondContact O-N 3.48Å; V694-T757 HydrophobicContact CG2-CG2 4.16Å; V726-T757 HydrophobicContact CG1-CG2 3.56Å; T757-A759 PolarHBondContact O-N 3Å; T757-V760 VanDerWaalsContact O-CB 3.31Å; T757-V760 WeakPolarHBondContact O-CB 3.48Å; T757-V760 VanDerWaalsContact O-CG2 3.32Å; T757-V760 WeakPolarHBondContact O-CG2 3.3Å; T757-V760 PolarHBondContact O-N 2.88Å; T757-V760 VanDerWaalsContact O-N 3.1Å
758	G	96.4	Very high	96	Very high	25 Å²	25	19.9 Å²	19.9	26%	0.258	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-65.2	-26.1	-179	0	0	0	0	0	113.4	V688 D691 R756 V760 G761	V688-G758 VanDerWaalsContact O-CA 3.3Å; V688-G758 WeakPolarHBondContact O-CA 3.38Å; D691-G758 WeakPolarHBondContact OD1-CA 3.4Å; D691-G758 PolarHBondContact OD1-N 3.15Å; R756-G758 VanDerWaalsContact C-N 3.32Å; R756-G758 PolarHBondContact O-N 3.24Å; G758-V760 PolarHBondContact O-N 3.37Å; G758-V760 VanDerWaalsContact O-N 3.17Å; G758-G761 PolarHBondContact O-N 2.82Å
759	A	95.6	Very high	95.7	Very high	52 Å²	52	27.9 Å²	27.9	43%	0.43	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-69.6	-7.9	176.2	0	0	0	0	0	113.7	L754 R756 T757 G761	L754-A759 VanDerWaalsContact CD1-C 3.45Å; L754-A759 HydrophobicContact CD1-CB 3.79Å; L754-A759 HydrophobicContact CD2-CB 4.05Å; L754-A759 HydrophobicContact CG-CB 4.35Å; R756-A759 PolarHBondContact O-N 3.46Å; T757-A759 PolarHBondContact O-N 3Å; A759-G761 VanDerWaalsContact C-N 3.26Å
760	V	96.7	Very high	95.1	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-66.7	-31.7	167.1	175.6	0	0	0	0	110.9	T633 A634 L637 V688 L754 T757 G758 D762 T782 G783	T633-V760 HydrophobicContact CG2-CG2 4.15Å; A634-V760 HydrophobicContact CB-CG1 3.83Å; A634-V760 HydrophobicContact CB-CG2 4.46Å; L637-V760 HydrophobicContact CD1-CG2 4.47Å; V688-V760 HydrophobicContact CG1-CB 4.41Å; V688-V760 HydrophobicContact CG2-CB 3.9Å; V688-V760 HydrophobicContact CG2-CG1 4.02Å; L754-V760 HydrophobicContact CD1-CB 4.43Å; L754-V760 HydrophobicContact CD1-CG2 3.66Å; T757-V760 VanDerWaalsContact O-CB 3.31Å; T757-V760 WeakPolarHBondContact O-CB 3.48Å; T757-V760 VanDerWaalsContact O-CG2 3.32Å; T757-V760 WeakPolarHBondContact O-CG2 3.3Å; T757-V760 PolarHBondContact O-N 2.88Å; T757-V760 VanDerWaalsContact O-N 3.1Å; G758-V760 PolarHBondContact O-N 3.37Å; G758-V760 VanDerWaalsContact O-N 3.17Å; V760-D762 PolarHBondContact O-N 2.87Å; V760-D762 VanDerWaalsContact O-N 3.08Å; V760-T782 HydrophobicContact CG1-CG2 4.37Å; V760-G783 PolarHBondContact O-N 2.87Å
761	G	95.2	Very high	94.1	Very high	31 Å²	31	32.5 Å²	32.5	32%	0.32	17%	0.172	S	C	.	.			trans	79.8	-72.2	-179.7	0	0	0	0	0	113.8	V688 G758 A759	V688-G761 WeakPolarHBondContact CG1-O 3.35Å; G758-G761 PolarHBondContact O-N 2.82Å; A759-G761 VanDerWaalsContact C-N 3.26Å
762	D	95.1	Very high	92.6	Very high	10 Å²	10	33.4 Å²	33.4	5%	0.053	18%	0.178	C	C	.	.			trans	-152.4	160.3	178.6	-168.5	-7.3	0	0	0	108.3	Q685 V760 T782 G783 A786 Q787 R790	Q685-D762 PolarHBondContact OE1-OD1 3.38Å; V760-D762 PolarHBondContact O-N 2.87Å; V760-D762 VanDerWaalsContact O-N 3.08Å; D762-T782 CarbonylContact O-C 3.36Å; D762-T782 WeakPolarHBondContact O-CA 3.45Å; D762-T782 WeakPolarHBondContact O-CB 3.47Å; D762-G783 PolarHBondContact O-N 2.93Å; D762-A786 HydrophobicContact CB-CB 3.87Å; D762-Q787 HydrophobicContact CB-CG 4.01Å; D762-R790 IonicContact OD1-CZ 3.15Å; D762-R790 IonicContact OD1-NE 3.18Å; D762-R790 PolarHBondContact OD1-NE 3.33Å; D762-R790 IonicContact OD1-NH2 2.88Å; D762-R790 PolarHBondContact OD1-NH2 3.25Å; D762-R790 WeakPolarHBondContact OD2-CD 3.14Å; D762-R790 IonicContact OD2-CZ 3.82Å; D762-R790 IonicContact OD2-NE 2.64Å; D762-R790 PolarHBondContact OD2-NE 3.01Å
763	L	96.3	Very high	91.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	128.1	171.5	176.5	142.3	0	0	0	110.8	A634 L638 L662 V684 I765 A780 I781 T782 R790	A634-L763 HydrophobicContact CB-CD1 3.68Å; L638-L763 HydrophobicContact CD1-CD2 4.37Å; L662-L763 HydrophobicContact CD1-CD1 4.41Å; V684-L763 HydrophobicContact CB-CD2 4.47Å; V684-L763 HydrophobicContact CG1-CB 3.91Å; V684-L763 HydrophobicContact CG1-CD1 4.34Å; V684-L763 HydrophobicContact CG1-CD2 4.21Å; V684-L763 HydrophobicContact CG1-CG 4.36Å; L763-I765 HydrophobicContact CD2-CG1 4.34Å; L763-A780 HydrophobicContact CD1-CB 4.36Å; L763-A780 HydrophobicContact CG-CB 4.35Å; L763-I781 WeakPolarHBondContact CA-O 3.46Å; L763-T782 HydrophobicContact CD1-CG2 4.25Å; L763-R790 PolarHBondContact O-NH2 2.84Å
764	V	97.3	Very high	90	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.3	176.1	171.6	0	0	0	0	109.9	I766 A780 I781 A786 A789 R790 P837	V764-I766 HydrophobicContact CG1-CG2 3.83Å; V764-I766 PolarHBondContact O-N 2.86Å; V764-A780 CarbonylContact O-C 3.58Å; V764-A780 WeakPolarHBondContact O-CA 3.43Å; V764-A780 WeakPolarHBondContact O-CB 3.18Å; V764-I781 HydrophobicContact CB-CG1 4.2Å; V764-I781 PolarHBondContact N-O 2.91Å; V764-I781 PolarHBondContact O-N 3.17Å; V764-A786 HydrophobicContact CB-CB 4.05Å; V764-A786 HydrophobicContact CG2-CB 3.76Å; V764-A789 HydrophobicContact CG1-CB 4.41Å; V764-R790 HydrophobicContact CG2-CG 3.59Å; V764-R790 VanDerWaalsContact CG2-CZ 3.48Å; V764-P837 HydrophobicContact CG1-CB 4.03Å; V764-P837 HydrophobicContact CG1-CG 3.81Å; V764-P837 HydrophobicContact CG2-CG 4.38Å
765	I	97.9	Very high	89.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	112.1	169.1	-57.3	172.4	0	0	0	106.9	L638 L677 V680 E681 L763 L778 L779 Q838	L638-I765 HydrophobicContact CD1-CD1 4.08Å; L638-I765 HydrophobicContact CD1-CG1 4.4Å; L677-I765 HydrophobicContact CD2-CD1 4.02Å; L677-I765 HydrophobicContact CD2-CG2 4.21Å; V680-I765 HydrophobicContact CB-CD1 4.49Å; V680-I765 HydrophobicContact CG1-CD1 4.01Å; E681-I765 HydrophobicContact CG-CB 4.43Å; E681-I765 HydrophobicContact CG-CD1 4.05Å; E681-I765 HydrophobicContact CG-CG1 3.98Å; E681-I765 WeakPolarHBondContact OE1-CB 3.4Å; E681-I765 PolarHBondContact OE1-N 3.36Å; L763-I765 HydrophobicContact CD2-CG1 4.34Å; I765-L778 HydrophobicContact CG2-CD2 4.29Å; I765-L779 CarbonylContact C-O 3.59Å; I765-L779 WeakPolarHBondContact CA-O 3.42Å; I765-Q838 HydrophobicContact CG2-CB 4.37Å; I765-Q838 VanDerWaalsContact O-CB 3.22Å; I765-Q838 WeakPolarHBondContact O-CB 3.22Å; I765-Q838 PolarHBondContact O-N 3.33Å
766	I	96.8	Very high	88.8	Confident	39 Å²	39	34.5 Å²	34.5	20%	0.2	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-8.3	-176.4	57.1	163.4	0	0	0	113.1	V764 L779 I781 V835 R841	V764-I766 HydrophobicContact CG1-CG2 3.83Å; V764-I766 PolarHBondContact O-N 2.86Å; I766-L779 HydrophobicContact CD1-CB 4.48Å; I766-L779 HydrophobicContact CG1-CB 3.97Å; I766-L779 WeakPolarHBondContact CG1-O 3.38Å; I766-L779 PolarHBondContact N-O 3.1Å; I766-I781 HydrophobicContact CD1-CG2 3.9Å; I766-I781 HydrophobicContact CG2-CD1 3.64Å; I766-I781 HydrophobicContact CG2-CG1 3.74Å; I766-V835 HydrophobicContact CB-CG1 4.32Å; I766-V835 HydrophobicContact CD1-CG1 4.42Å; I766-V835 HydrophobicContact CG2-CG1 3.7Å; I766-R841 PolarHBondContact O-NH1 3.31Å; I766-R841 PolarHBondContact O-NH2 2.97Å
767	G	95.3	Very high	88.5	Confident	13 Å²	13	33 Å²	33	13%	0.134	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	150.7	175.9	0	0	0	0	0	113	L779	G767-L779 PolarHBondContact N-O 3.02Å; G767-L779 PolarHBondContact O-N 3.12Å
768	D	93.7	Very high	88.5	Confident	22 Å²	22	33 Å²	33	12%	0.118	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.4	170.8	71.8	-59.1	0	0	0	109.4	T776 R777 L778 Q838 R842	D768-T776 HydrophobicContact CB-CG2 4.28Å; D768-R777 CarbonylContact C-O 3.56Å; D768-R777 VanDerWaalsContact CA-O 3.31Å; D768-R777 WeakPolarHBondContact CA-O 3.3Å; D768-L778 HydrophobicContact CB-CD2 3.59Å; D768-Q838 WeakPolarHBondContact OD1-CG 3.48Å; D768-Q838 PolarHBondContact OD1-NE2 3.49Å; D768-R842 IonicContact OD1-CZ 3.11Å; D768-R842 IonicContact OD1-NE 2.83Å; D768-R842 IonicContact OD1-NH1 3.28Å; D768-R842 IonicContact OD1-NH2 2.93Å; D768-R842 PolarHBondContact OD1-NH2 3.11Å; D768-R842 IonicContact OD2-CZ 3.77Å; D768-R842 VanDerWaalsContact OD2-CZ 3.3Å; D768-R842 IonicContact OD2-NH1 3.63Å; D768-R842 PolarHBondContact OD2-NH1 3.29Å; D768-R842 IonicContact OD2-NH2 3.91Å; D768-R842 PolarHBondContact OD2-NH2 2.94Å
769	R	87.8	Confident	88.5	Confident	183 Å²	183	34.4 Å²	34.4	69%	0.691	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139	124.1	177.7	-178.3	177.1	177.8	177.7	0.4	110.1	L771 R777	R769-L771 PolarHBondContact O-N 3.19Å; R769-R777 PolarHBondContact N-O 3.25Å; R769-R777 PolarHBondContact O-N 3.17Å
770	Q	82.4	Confident	88.5	Confident	92 Å²	92	32 Å²	32	43%	0.43	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	120.2	169.8	-166	169.1	11.5	0	0	109.5	S772	Q770-S772 VanDerWaalsContact CG-O 3.27Å; Q770-S772 WeakPolarHBondContact CG-O 3.44Å
771	L	69.8	Low	88.5	Confident	63 Å²	63	32.5 Å²	32.5	33%	0.33	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-44.8	179.6	-64.6	179.6	0	0	0	110.9	R769 T775 R777	R769-L771 PolarHBondContact O-N 3.19Å; L771-T775 HydrophobicContact CD1-CG2 4.37Å; L771-T775 PolarHBondContact N-O 2.97Å; L771-R777 HydrophobicContact CD1-CB 4.03Å; L771-R777 HydrophobicContact CD2-CB 4.15Å; L771-R777 HydrophobicContact CG-CB 3.95Å
772	S	63.9	Low	88.5	Confident	19 Å²	19	31.6 Å²	31.6	13%	0.133	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	169.8	175.2	53.8	0	0	0	0	108.6	Q770 G774 T775	Q770-S772 VanDerWaalsContact CG-O 3.27Å; Q770-S772 WeakPolarHBondContact CG-O 3.44Å; S772-G774 PolarHBondContact O-N 3.33Å; S772-T775 PolarHBondContact O-N 3.39Å; S772-T775 VanDerWaalsContact O-N 3.13Å
773	K	66.9	Low	88.4	Confident	48 Å²	48	32 Å²	32	21%	0.209	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	132.3	166.7	-159.5	-179.5	-178.5	-165.9	0	107.9	F340 E403 D404	F340-K773 VanDerWaalsContact CB-O 3.28Å; F340-K773 WeakPolarHBondContact CB-O 3.39Å; E403-K773 WeakPolarHBondContact OE2-CE 3.4Å; E403-K773 IonicContact OE2-NZ 3.3Å; E403-K773 PolarHBondContact OE2-NZ 2.96Å; E403-K773 VanDerWaalsContact OE2-NZ 3.11Å; D404-K773 VanDerWaalsContact CG-NZ 3.3Å; D404-K773 WeakPolarHBondContact OD1-CD 3.36Å; D404-K773 WeakPolarHBondContact OD1-CE 3.45Å; D404-K773 IonicContact OD1-NZ 3.57Å; D404-K773 PolarHBondContact OD1-NZ 3.45Å; D404-K773 IonicContact OD2-NZ 3.72Å
774	G	71.8	Confident	88.3	Confident	5 Å²	5	38.4 Å²	38.4	5%	0.052	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	-10.4	-175.9	0	0	0	0	0	116.3	T667 T668 S772	T667-G774 CarbonylContact C-O 3.42Å; T667-G774 WeakPolarHBondContact CA-O 3.48Å; T667-G774 WeakPolarHBondContact CG2-O 3.34Å; T668-G774 PolarHBondContact N-O 2.94Å; T668-G774 CarbonylContact O-C 3.59Å; T668-G774 VanDerWaalsContact O-C 3.3Å; T668-G774 WeakPolarHBondContact O-CA 3.48Å; S772-G774 PolarHBondContact O-N 3.33Å
775	T	80.1	Confident	88	Confident	18 Å²	18	42.6 Å²	42.6	11%	0.11	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	124	-176.2	-49.4	0	0	0	0	113.2	V666 L771 S772	V666-T775 WeakPolarHBondContact O-CA 3.41Å; L771-T775 HydrophobicContact CD1-CG2 4.37Å; L771-T775 PolarHBondContact N-O 2.97Å; S772-T775 PolarHBondContact O-N 3.39Å; S772-T775 VanDerWaalsContact O-N 3.13Å
776	T	89.7	Confident	87.9	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.9	176.8	-60.9	0	0	0	0	111.1	V666 T668 L672 D768 L778	V666-T776 PolarHBondContact N-O 2.6Å; V666-T776 PolarHBondContact O-N 3.38Å; T668-T776 WeakPolarHBondContact OG1-CB 3.19Å; T668-T776 PolarHBondContact OG1-OG1 2.88Å; L672-T776 HydrophobicContact CD1-CG2 3.83Å; D768-T776 HydrophobicContact CB-CG2 4.28Å; T776-L778 HydrophobicContact CG2-CD2 4.19Å
777	R	93.2	Very high	87.8	Confident	70 Å²	70	45.1 Å²	45.1	26%	0.264	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.4	170	175.7	164	-68.7	168.5	2.3	110	R663 D665 D768 R769 L771	R663-R777 HydrophobicContact CG-CG 3.96Å; D665-R777 WeakPolarHBondContact OD1-CA 3.4Å; D665-R777 VanDerWaalsContact OD1-CB 3.24Å; D665-R777 WeakPolarHBondContact OD1-CB 3.43Å; D665-R777 WeakPolarHBondContact OD1-CG 3.44Å; D665-R777 IonicContact OD1-CZ 2.71Å; D665-R777 IonicContact OD1-NE 3.07Å; D665-R777 PolarHBondContact OD1-NE 3.15Å; D665-R777 IonicContact OD1-NH2 3.36Å; D665-R777 PolarHBondContact OD1-NH2 3.3Å; D665-R777 IonicContact OD2-CZ 2.68Å; D665-R777 IonicContact OD2-NE 3.89Å; D665-R777 IonicContact OD2-NH2 3.94Å; D665-R777 PolarHBondContact OD2-NH2 2.97Å; D768-R777 CarbonylContact C-O 3.56Å; D768-R777 VanDerWaalsContact CA-O 3.31Å; D768-R777 WeakPolarHBondContact CA-O 3.3Å; R769-R777 PolarHBondContact N-O 3.25Å; R769-R777 PolarHBondContact O-N 3.17Å; L771-R777 HydrophobicContact CD1-CB 4.03Å; L771-R777 HydrophobicContact CD2-CB 4.15Å; L771-R777 HydrophobicContact CG-CB 3.95Å
778	L	96.4	Very high	87.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	139.4	172.2	-59.9	174	0	0	0	109.9	L642 R663 L664 V666 L677 I765 D768 T776	L642-L778 HydrophobicContact CD1-CD1 3.48Å; L642-L778 VanDerWaalsContact CD1-CD1 3.48Å; L642-L778 HydrophobicContact CD2-CD1 3.74Å; L642-L778 HydrophobicContact CG-CD1 4.22Å; R663-L778 WeakPolarHBondContact CA-O 3.4Å; L664-L778 PolarHBondContact N-O 2.73Å; L664-L778 PolarHBondContact O-N 3.39Å; V666-L778 HydrophobicContact CG2-CD1 4.33Å; L677-L778 HydrophobicContact CD2-CD2 4.34Å; I765-L778 HydrophobicContact CG2-CD2 4.29Å; D768-L778 HydrophobicContact CB-CD2 3.59Å; T776-L778 HydrophobicContact CG2-CD2 4.19Å
779	L	96.7	Very high	88	Confident	53 Å²	53	48.5 Å²	48.5	28%	0.277	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.7	170.6	-64.1	179.8	0	0	0	108.3	L662 R663 I765 I766 G767	L662-L779 WeakPolarHBondContact O-CA 3.35Å; R663-L779 HydrophobicContact CB-CD2 4.1Å; R663-L779 HydrophobicContact CG-CD2 4.05Å; I765-L779 CarbonylContact C-O 3.59Å; I765-L779 WeakPolarHBondContact CA-O 3.42Å; I766-L779 HydrophobicContact CD1-CB 4.48Å; I766-L779 HydrophobicContact CG1-CB 3.97Å; I766-L779 WeakPolarHBondContact CG1-O 3.38Å; I766-L779 PolarHBondContact N-O 3.1Å; G767-L779 PolarHBondContact N-O 3.02Å; G767-L779 PolarHBondContact O-N 3.12Å
780	A	96.7	Very high	88.4	Confident	2 Å²	2	42 Å²	42	2%	0.017	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	158.5	178.8	0	0	0	0	0	111.9	L638 L662 L763 V764	L638-A780 HydrophobicContact CD2-CB 4.44Å; L662-A780 HydrophobicContact CB-CB 4.44Å; L662-A780 WeakPolarHBondContact CB-O 3.44Å; L662-A780 HydrophobicContact CD2-CB 4.26Å; L662-A780 PolarHBondContact N-O 2.97Å; L662-A780 PolarHBondContact O-N 3.13Å; L763-A780 HydrophobicContact CD1-CB 4.36Å; L763-A780 HydrophobicContact CG-CB 4.35Å; V764-A780 CarbonylContact O-C 3.58Å; V764-A780 WeakPolarHBondContact O-CA 3.43Å; V764-A780 WeakPolarHBondContact O-CB 3.18Å
781	I	95.4	Very high	89.1	Confident	13 Å²	13	43.1 Å²	43.1	7%	0.067	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	159.2	173.3	56.4	177.8	0	0	0	109	L763 V764 I766 Q785 A786 A789 V835	L763-I781 WeakPolarHBondContact CA-O 3.46Å; V764-I781 HydrophobicContact CB-CG1 4.2Å; V764-I781 PolarHBondContact N-O 2.91Å; V764-I781 PolarHBondContact O-N 3.17Å; I766-I781 HydrophobicContact CD1-CG2 3.9Å; I766-I781 HydrophobicContact CG2-CD1 3.64Å; I766-I781 HydrophobicContact CG2-CG1 3.74Å; I781-Q785 HydrophobicContact CB-CB 4.35Å; I781-Q785 HydrophobicContact CD1-CB 4.1Å; I781-Q785 WeakPolarHBondContact CD1-O 3.46Å; I781-A786 HydrophobicContact CG1-CB 4.23Å; I781-A789 HydrophobicContact CD1-CB 3.86Å; I781-V835 HydrophobicContact CD1-CG1 3.89Å
782	T	95.8	Very high	90.4	Very high	12 Å²	12	43.2 Å²	43.2	7%	0.074	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	164.7	-174.3	61.2	0	0	0	0	112.4	K631 A634 V760 D762 L763	K631-T782 HydrophobicContact CG-CG2 4.09Å; A634-T782 HydrophobicContact CB-CG2 3.7Å; V760-T782 HydrophobicContact CG1-CG2 4.37Å; D762-T782 CarbonylContact O-C 3.36Å; D762-T782 WeakPolarHBondContact O-CA 3.45Å; D762-T782 WeakPolarHBondContact O-CB 3.47Å; L763-T782 HydrophobicContact CD1-CG2 4.25Å
783	G	93.5	Very high	92	Very high	17 Å²	17	42.3 Å²	42.3	18%	0.175	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	-137.2	171.8	0	0	0	0	0	113.5	V760 D762 Q785 A786 Q787	V760-G783 PolarHBondContact O-N 2.87Å; D762-G783 PolarHBondContact O-N 2.93Å; G783-Q785 VanDerWaalsContact C-N 3.3Å; G783-Q785 PolarHBondContact O-N 3.39Å; G783-A786 WeakPolarHBondContact O-CB 3.22Å; G783-A786 PolarHBondContact O-N 3.38Å; G783-A786 VanDerWaalsContact O-N 3.09Å; G783-Q787 PolarHBondContact O-N 3.39Å; G783-Q787 VanDerWaalsContact O-N 3.13Å
784	E	92.4	Very high	93.4	Very high	136 Å²	136	45.4 Å²	45.4	64%	0.636	22%	0.22	S	C	*	.	H	α-helix	trans	-58.5	-39	-176.5	-168.4	-174.2	167	0	0	112.8	A786 Q787 Q788	E784-A786 VanDerWaalsContact C-N 3.29Å; E784-A786 PolarHBondContact O-N 2.84Å; E784-Q787 PolarHBondContact O-N 2.96Å; E784-Q788 WeakPolarHBondContact O-CG 3.19Å; E784-Q788 PolarHBondContact O-N 3.37Å; E784-Q788 PolarHBondContact OE1-NE2 3.01Å; E784-Q788 VanDerWaalsContact OE1-NE2 3.09Å
785	Q	92.8	Very high	94.7	Very high	88 Å²	88	49.2 Å²	49.2	41%	0.411	24%	0.239	S	C	.	.	H	α-helix	trans	-62	-38.4	177.9	-66.6	178.9	-17.9	0	0	111.8	I781 G783 A789	I781-Q785 HydrophobicContact CB-CB 4.35Å; I781-Q785 HydrophobicContact CD1-CB 4.1Å; I781-Q785 WeakPolarHBondContact CD1-O 3.46Å; G783-Q785 VanDerWaalsContact C-N 3.3Å; G783-Q785 PolarHBondContact O-N 3.39Å; Q785-A789 WeakPolarHBondContact O-CB 3.17Å; Q785-A789 PolarHBondContact O-N 3.28Å
786	A	95.1	Very high	95.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.6	-41.8	176	0	0	0	0	0	111.4	D762 V764 I781 G783 E784 A789 R790	D762-A786 HydrophobicContact CB-CB 3.87Å; V764-A786 HydrophobicContact CB-CB 4.05Å; V764-A786 HydrophobicContact CG2-CB 3.76Å; I781-A786 HydrophobicContact CG1-CB 4.23Å; G783-A786 WeakPolarHBondContact O-CB 3.22Å; G783-A786 PolarHBondContact O-N 3.38Å; G783-A786 VanDerWaalsContact O-N 3.09Å; E784-A786 VanDerWaalsContact C-N 3.29Å; E784-A786 PolarHBondContact O-N 2.84Å; A786-A789 WeakPolarHBondContact O-CB 3.17Å; A786-A789 PolarHBondContact O-N 3.4Å; A786-R790 WeakPolarHBondContact O-CG 3.39Å; A786-R790 PolarHBondContact O-N 3.5Å
787	Q	95.6	Very high	95.9	Very high	93 Å²	93	50.1 Å²	50.1	44%	0.435	25%	0.247	S	C	.	.	H	α-helix	trans	-60.1	-48.8	175.9	-67.1	173	-7.4	0	0	111.4	D762 G783 E784 A789 R790 E791	D762-Q787 HydrophobicContact CB-CG 4.01Å; G783-Q787 PolarHBondContact O-N 3.39Å; G783-Q787 VanDerWaalsContact O-N 3.13Å; E784-Q787 PolarHBondContact O-N 2.96Å; Q787-A789 VanDerWaalsContact C-N 3.29Å; Q787-A789 PolarHBondContact O-N 3.43Å; Q787-R790 PolarHBondContact O-N 3.43Å; Q787-R790 VanDerWaalsContact O-N 3.12Å; Q787-E791 WeakPolarHBondContact O-CG 3.41Å; Q787-E791 PolarHBondContact O-N 3.12Å
788	Q	96.4	Very high	96.1	Very high	102 Å²	102	53 Å²	53	48%	0.477	26%	0.263	S	S	.	.	H	α-helix	trans	-58	-41	175.6	-69.7	173.8	5.3	0	0	112	E784 E791 L792	E784-Q788 WeakPolarHBondContact O-CG 3.19Å; E784-Q788 PolarHBondContact O-N 3.37Å; E784-Q788 PolarHBondContact OE1-NE2 3.01Å; E784-Q788 VanDerWaalsContact OE1-NE2 3.09Å; Q788-E791 PolarHBondContact O-N 3.41Å; Q788-L792 WeakPolarHBondContact O-CB 3.48Å; Q788-L792 PolarHBondContact O-N 3.36Å
789	A	96.4	Very high	96.1	Very high	4 Å²	4	58 Å²	58	3%	0.033	29%	0.287	C	S	.	.	H	α-helix	trans	-64.8	-38.3	177.1	0	0	0	0	0	112.5	V764 I781 Q785 A786 Q787 G793 V835 P837	V764-A789 HydrophobicContact CG1-CB 4.41Å; I781-A789 HydrophobicContact CD1-CB 3.86Å; Q785-A789 WeakPolarHBondContact O-CB 3.17Å; Q785-A789 PolarHBondContact O-N 3.28Å; A786-A789 WeakPolarHBondContact O-CB 3.17Å; A786-A789 PolarHBondContact O-N 3.4Å; Q787-A789 VanDerWaalsContact C-N 3.29Å; Q787-A789 PolarHBondContact O-N 3.43Å; A789-G793 PolarHBondContact O-N 2.7Å; A789-V835 WeakPolarHBondContact CA-O 3.38Å; A789-V835 HydrophobicContact CB-CG1 4.27Å; A789-V835 WeakPolarHBondContact CB-O 3.49Å; A789-P837 WeakPolarHBondContact O-CD 3.36Å
790	R	96.1	Very high	96.1	Very high	46 Å²	46	55.7 Å²	55.7	17%	0.174	28%	0.275	C	S	.	.	H	α-helix	trans	-67.5	-45	174.3	-68	-167.9	-166.9	-75.2	4.1	111.8	E681 D762 L763 V764 A786 Q787 L792 G793 Q794 P837	E681-R790 IonicContact OE2-CZ 3.3Å; E681-R790 IonicContact OE2-NH1 2.77Å; E681-R790 PolarHBondContact OE2-NH1 2.96Å; E681-R790 IonicContact OE2-NH2 3.19Å; D762-R790 IonicContact OD1-CZ 3.15Å; D762-R790 IonicContact OD1-NE 3.18Å; D762-R790 PolarHBondContact OD1-NE 3.33Å; D762-R790 IonicContact OD1-NH2 2.88Å; D762-R790 PolarHBondContact OD1-NH2 3.25Å; D762-R790 WeakPolarHBondContact OD2-CD 3.14Å; D762-R790 IonicContact OD2-CZ 3.82Å; D762-R790 IonicContact OD2-NE 2.64Å; D762-R790 PolarHBondContact OD2-NE 3.01Å; L763-R790 PolarHBondContact O-NH2 2.84Å; V764-R790 HydrophobicContact CG2-CG 3.59Å; V764-R790 VanDerWaalsContact CG2-CZ 3.48Å; A786-R790 WeakPolarHBondContact O-CG 3.39Å; A786-R790 PolarHBondContact O-N 3.5Å; Q787-R790 PolarHBondContact O-N 3.43Å; Q787-R790 VanDerWaalsContact O-N 3.12Å; R790-L792 PolarHBondContact O-N 3.42Å; R790-G793 PolarHBondContact O-N 3.35Å; R790-Q794 WeakPolarHBondContact O-CG 3.18Å; R790-Q794 PolarHBondContact O-N 2.62Å; R790-P837 HydrophobicContact CG-CG 4.11Å
791	E	97.3	Very high	96.1	Very high	115 Å²	115	61.9 Å²	61.9	54%	0.537	30%	0.301	S	S	.	.	H	α-helix	trans	-59.2	-46.8	177.6	-72.6	178.2	-178.6	0	0	111.3	Q787 Q788 G793 Q794 N795	Q787-E791 WeakPolarHBondContact O-CG 3.41Å; Q787-E791 PolarHBondContact O-N 3.12Å; Q788-E791 PolarHBondContact O-N 3.41Å; E791-G793 VanDerWaalsContact C-N 3.34Å; E791-G793 PolarHBondContact O-N 3.34Å; E791-Q794 PolarHBondContact O-N 3.42Å; E791-N795 VanDerWaalsContact O-CG 3.29Å; E791-N795 PolarHBondContact O-N 3.17Å; E791-N795 PolarHBondContact O-ND2 3.33Å
792	L	96.6	Very high	96.1	Very high	66 Å²	66	63.3 Å²	63.3	35%	0.346	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-44.3	175.1	-179.1	59	0	0	0	111.7	Q788 R790 Q794 N795 L796	Q788-L792 WeakPolarHBondContact O-CB 3.48Å; Q788-L792 PolarHBondContact O-N 3.36Å; R790-L792 PolarHBondContact O-N 3.42Å; L792-Q794 VanDerWaalsContact C-N 3.33Å; L792-Q794 PolarHBondContact O-N 2.9Å; L792-N795 PolarHBondContact O-N 3.41Å; L792-L796 HydrophobicContact CD1-CD1 4.31Å; L792-L796 HydrophobicContact CD1-CG 4.39Å; L792-L796 HydrophobicContact CG-CD1 4.2Å; L792-L796 WeakPolarHBondContact O-CG 3.31Å; L792-L796 PolarHBondContact O-N 2.76Å
793	G	97	Very high	96	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.1	-39.2	176.2	0	0	0	0	0	113.3	A789 R790 E791 A797 M836 Q840	A789-G793 PolarHBondContact O-N 2.7Å; R790-G793 PolarHBondContact O-N 3.35Å; E791-G793 VanDerWaalsContact C-N 3.34Å; E791-G793 PolarHBondContact O-N 3.34Å; G793-A797 WeakPolarHBondContact O-CB 3.42Å; G793-A797 PolarHBondContact O-N 3.2Å; G793-M836 VanDerWaalsContact CA-CE 3.47Å; G793-Q840 PolarHBondContact O-NE2 3.34Å
794	Q	97.1	Very high	96	Very high	112 Å²	112	64.1 Å²	64.1	52%	0.523	32%	0.318	S	S	.	.	H	α-helix	trans	-66	-44.5	174.9	-71.5	173.9	12.8	0	0	112	R790 E791 L792 A797 Q798	R790-Q794 WeakPolarHBondContact O-CG 3.18Å; R790-Q794 PolarHBondContact O-N 2.62Å; E791-Q794 PolarHBondContact O-N 3.42Å; L792-Q794 VanDerWaalsContact C-N 3.33Å; L792-Q794 PolarHBondContact O-N 2.9Å; Q794-A797 PolarHBondContact O-N 2.92Å; Q794-Q798 WeakPolarHBondContact O-CG 3.49Å; Q794-Q798 PolarHBondContact O-N 2.64Å
795	N	97.8	Very high	96.1	Very high	85 Å²	85	62.4 Å²	62.4	46%	0.455	31%	0.309	S	S	.	.	H	α-helix	trans	-59.8	-47.8	176.9	-69.2	-21.9	0	0	0	111.1	E791 L792 A797 Q798 E799	E791-N795 VanDerWaalsContact O-CG 3.29Å; E791-N795 PolarHBondContact O-N 3.17Å; E791-N795 PolarHBondContact O-ND2 3.33Å; L792-N795 PolarHBondContact O-N 3.41Å; N795-A797 VanDerWaalsContact C-N 3.33Å; N795-A797 PolarHBondContact O-N 2.87Å; N795-Q798 WeakPolarHBondContact O-CB 3.37Å; N795-Q798 PolarHBondContact O-N 3.02Å; N795-Q798 VanDerWaalsContact O-N 3.16Å; N795-E799 PolarHBondContact O-N 2.72Å
796	L	97.8	Very high	96	Very high	10 Å²	10	64 Å²	64	5%	0.052	31%	0.311	C	S	.	.	H	α-helix	trans	-62.6	-39.1	176.1	-70.8	171.1	0	0	0	112.1	L792 Q798 E799 V800 A830 V831 M836 L844	L792-L796 HydrophobicContact CD1-CD1 4.31Å; L792-L796 HydrophobicContact CD1-CG 4.39Å; L792-L796 HydrophobicContact CG-CD1 4.2Å; L792-L796 WeakPolarHBondContact O-CG 3.31Å; L792-L796 PolarHBondContact O-N 2.76Å; L796-Q798 VanDerWaalsContact C-N 3.3Å; L796-Q798 PolarHBondContact O-N 2.92Å; L796-E799 PolarHBondContact O-N 3.29Å; L796-V800 VanDerWaalsContact O-CG2 3.29Å; L796-V800 WeakPolarHBondContact O-CG2 3.19Å; L796-V800 PolarHBondContact O-N 2.95Å; L796-A830 HydrophobicContact CD2-CB 4.13Å; L796-V831 HydrophobicContact CB-CG2 4.26Å; L796-V831 HydrophobicContact CD1-CG2 4.19Å; L796-V831 HydrophobicContact CD2-CG2 4.46Å; L796-M836 HydrophobicContact CD1-SD 3.97Å; L796-L844 HydrophobicContact CB-CD1 4.38Å
797	A	97.5	Very high	95.7	Very high	28 Å²	28	64.7 Å²	64.7	23%	0.231	32%	0.315	C	S	.	.	H	α-helix	trans	-62.8	-37.2	175.8	0	0	0	0	0	112.4	G793 Q794 N795 V800 K801 L844	G793-A797 WeakPolarHBondContact O-CB 3.42Å; G793-A797 PolarHBondContact O-N 3.2Å; Q794-A797 PolarHBondContact O-N 2.92Å; N795-A797 VanDerWaalsContact C-N 3.33Å; N795-A797 PolarHBondContact O-N 2.87Å; A797-V800 PolarHBondContact O-N 2.82Å; A797-K801 WeakPolarHBondContact O-CB 3.21Å; A797-K801 PolarHBondContact O-N 2.77Å; A797-L844 HydrophobicContact CB-CD1 4.19Å; A797-L844 HydrophobicContact CB-CD2 4.05Å
798	Q	97.8	Very high	95.5	Very high	130 Å²	130	63.8 Å²	63.8	61%	0.607	32%	0.319	S	S	*	.	H	α-helix	trans	-64.9	-42.1	173.5	-69.1	177.6	5.6	0	0	111.6	Q794 N795 L796 K801 A802	Q794-Q798 WeakPolarHBondContact O-CG 3.49Å; Q794-Q798 PolarHBondContact O-N 2.64Å; N795-Q798 WeakPolarHBondContact O-CB 3.37Å; N795-Q798 PolarHBondContact O-N 3.02Å; N795-Q798 VanDerWaalsContact O-N 3.16Å; L796-Q798 VanDerWaalsContact C-N 3.3Å; L796-Q798 PolarHBondContact O-N 2.92Å; Q798-K801 WeakPolarHBondContact O-CB 3.43Å; Q798-K801 PolarHBondContact O-N 3.38Å; Q798-A802 PolarHBondContact O-N 2.9Å
799	E	97	Very high	95.1	Very high	105 Å²	105	66.6 Å²	66.6	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-63.4	-41.8	175.4	-68.6	-176.4	-152.6	0	0	112.3	N795 L796 K801 A802 A803 L827	N795-E799 PolarHBondContact O-N 2.72Å; L796-E799 PolarHBondContact O-N 3.29Å; E799-K801 VanDerWaalsContact C-N 3.33Å; E799-K801 PolarHBondContact O-N 3.49Å; E799-A802 PolarHBondContact O-N 3.44Å; E799-A803 WeakPolarHBondContact O-CB 3.43Å; E799-A803 PolarHBondContact O-N 3.37Å; E799-L827 HydrophobicContact CB-CD2 3.81Å; E799-L827 WeakPolarHBondContact OE2-CD2 3.48Å
800	V	97	Very high	94.5	Very high	5 Å²	5	68.3 Å²	68.3	3%	0.03	35%	0.35	C	S	.	.	H	α-helix	trans	-63.1	-40.2	174.9	174.4	0	0	0	0	111.2	L796 A797 A803 T804 L844 T847 L848 L851	L796-V800 VanDerWaalsContact O-CG2 3.29Å; L796-V800 WeakPolarHBondContact O-CG2 3.19Å; L796-V800 PolarHBondContact O-N 2.95Å; A797-V800 PolarHBondContact O-N 2.82Å; V800-A803 PolarHBondContact O-N 2.95Å; V800-T804 WeakPolarHBondContact O-CB 3.37Å; V800-T804 PolarHBondContact O-N 3.41Å; V800-T804 PolarHBondContact O-OG1 2.83Å; V800-L844 HydrophobicContact CB-CD2 4.14Å; V800-L844 HydrophobicContact CG1-CD2 4.15Å; V800-L844 HydrophobicContact CG2-CD2 4.16Å; V800-T847 HydrophobicContact CG1-CG2 4.01Å; V800-L848 HydrophobicContact CG1-CD2 4.34Å; V800-L848 HydrophobicContact CG1-CG 4.24Å; V800-L848 HydrophobicContact CG2-CD1 3.86Å; V800-L848 HydrophobicContact CG2-CD2 4Å; V800-L848 HydrophobicContact CG2-CG 3.93Å; V800-L851 HydrophobicContact CG1-CD1 4.39Å
801	K	96.4	Very high	94.1	Very high	132 Å²	132	67.1 Å²	67.1	57%	0.574	35%	0.349	S	S	*	.	H	α-helix	trans	-62.9	-46.8	174.8	-173.7	-177.3	176.2	-172.6	0	111.1	A797 Q798 E799 A803 T804 E805	A797-K801 WeakPolarHBondContact O-CB 3.21Å; A797-K801 PolarHBondContact O-N 2.77Å; Q798-K801 WeakPolarHBondContact O-CB 3.43Å; Q798-K801 PolarHBondContact O-N 3.38Å; E799-K801 VanDerWaalsContact C-N 3.33Å; E799-K801 PolarHBondContact O-N 3.49Å; K801-A803 VanDerWaalsContact C-N 3.33Å; K801-A803 PolarHBondContact O-N 3.08Å; K801-T804 WeakPolarHBondContact O-CA 3.36Å; K801-T804 VanDerWaalsContact O-CB 3.29Å; K801-T804 WeakPolarHBondContact O-CB 3.44Å; K801-T804 PolarHBondContact O-N 2.89Å; K801-T804 VanDerWaalsContact O-N 3.08Å; K801-E805 VanDerWaalsContact CE-OE1 3.24Å; K801-E805 WeakPolarHBondContact CE-OE1 3.44Å; K801-E805 WeakPolarHBondContact O-CG 3.28Å; K801-E805 PolarHBondContact O-N 3.22Å
802	A	95	Very high	93.4	Very high	44 Å²	44	72.7 Å²	72.7	36%	0.364	37%	0.365	S	S	.	.	H	α-helix	trans	-60.4	-41.6	176.4	0	0	0	0	0	111.9	Q798 E799 T804 E805 R806	Q798-A802 PolarHBondContact O-N 2.9Å; E799-A802 PolarHBondContact O-N 3.44Å; A802-T804 VanDerWaalsContact C-N 3.32Å; A802-T804 PolarHBondContact O-N 3.31Å; A802-E805 PolarHBondContact O-N 2.9Å; A802-R806 WeakPolarHBondContact O-CB 3.37Å; A802-R806 VanDerWaalsContact O-CG 3.28Å; A802-R806 WeakPolarHBondContact O-CG 3.41Å; A802-R806 PolarHBondContact O-N 3.26Å
803	A	93.6	Very high	92.7	Very high	5 Å²	5	73 Å²	73	4%	0.041	37%	0.367	C	S	.	.	H	α-helix	trans	-63	-37.8	174.1	0	0	0	0	0	112.4	E799 V800 K801 L807 I824 L827	E799-A803 WeakPolarHBondContact O-CB 3.43Å; E799-A803 PolarHBondContact O-N 3.37Å; V800-A803 PolarHBondContact O-N 2.95Å; K801-A803 VanDerWaalsContact C-N 3.33Å; K801-A803 PolarHBondContact O-N 3.08Å; A803-L807 WeakPolarHBondContact O-CB 3.29Å; A803-L807 PolarHBondContact O-N 3.27Å; A803-I824 HydrophobicContact CB-CG1 4.46Å; A803-L827 HydrophobicContact CB-CD1 3.91Å
804	T	94.3	Very high	92.1	Very high	41 Å²	41	73.2 Å²	73.2	25%	0.252	37%	0.369	S	S	.	.	H	α-helix	trans	-63.7	-44.3	175.5	-57.5	0	0	0	0	111.7	V800 K801 A802 L807 S808 L851	V800-T804 WeakPolarHBondContact O-CB 3.37Å; V800-T804 PolarHBondContact O-N 3.41Å; V800-T804 PolarHBondContact O-OG1 2.83Å; K801-T804 WeakPolarHBondContact O-CA 3.36Å; K801-T804 VanDerWaalsContact O-CB 3.29Å; K801-T804 WeakPolarHBondContact O-CB 3.44Å; K801-T804 PolarHBondContact O-N 2.89Å; K801-T804 VanDerWaalsContact O-N 3.08Å; A802-T804 VanDerWaalsContact C-N 3.32Å; A802-T804 PolarHBondContact O-N 3.31Å; T804-L807 PolarHBondContact O-N 2.71Å; T804-S808 WeakPolarHBondContact O-CB 3.34Å; T804-S808 PolarHBondContact O-N 3.38Å; T804-S808 PolarHBondContact O-OG 2.92Å; T804-L851 HydrophobicContact CG2-CD2 4.17Å; T804-L851 WeakPolarHBondContact OG1-CD1 3.25Å
805	E	93.9	Very high	91.4	Very high	99 Å²	99	70.4 Å²	70.4	46%	0.463	36%	0.364	S	S	.	.	H	α-helix	trans	-64.8	-47.7	178.1	-72.1	171.1	-175.2	0	0	111	K801 A802 L807 S808 Q809	K801-E805 VanDerWaalsContact CE-OE1 3.24Å; K801-E805 WeakPolarHBondContact CE-OE1 3.44Å; K801-E805 WeakPolarHBondContact O-CG 3.28Å; K801-E805 PolarHBondContact O-N 3.22Å; A802-E805 PolarHBondContact O-N 2.9Å; E805-L807 VanDerWaalsContact C-N 3.3Å; E805-L807 PolarHBondContact O-N 2.66Å; E805-S808 PolarHBondContact O-N 3.48Å; E805-S808 VanDerWaalsContact O-N 3.11Å; E805-Q809 WeakPolarHBondContact O-CG 3.5Å; E805-Q809 PolarHBondContact O-N 2.98Å
806	R	90.7	Very high	90.9	Very high	121 Å²	121	69.8 Å²	69.8	46%	0.457	36%	0.359	S	S	.	.	H	α-helix	trans	-57.2	-42	174.8	-71.1	175	73.6	-166.2	-0.6	112	A802 L820 D823	A802-R806 WeakPolarHBondContact O-CB 3.37Å; A802-R806 VanDerWaalsContact O-CG 3.28Å; A802-R806 WeakPolarHBondContact O-CG 3.41Å; A802-R806 PolarHBondContact O-N 3.26Å; R806-L820 HydrophobicContact CB-CD1 4.08Å; R806-L820 HydrophobicContact CB-CD2 4.44Å; R806-D823 IonicContact NH1-OD2 3.45Å
807	L	89.2	Confident	90.4	Very high	15 Å²	15	69.4 Å²	69.4	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-68.9	-35.1	177.8	-169.5	65.9	0	0	0	112.4	A803 T804 E805 G810 L820 L851 R854 A855	A803-L807 WeakPolarHBondContact O-CB 3.29Å; A803-L807 PolarHBondContact O-N 3.27Å; T804-L807 PolarHBondContact O-N 2.71Å; E805-L807 VanDerWaalsContact C-N 3.3Å; E805-L807 PolarHBondContact O-N 2.66Å; L807-G810 PolarHBondContact O-N 3.37Å; L807-L820 HydrophobicContact CB-CD2 3.88Å; L807-L820 HydrophobicContact CD1-CD2 3.56Å; L807-L820 HydrophobicContact CD1-CG 4.46Å; L807-L820 HydrophobicContact CG-CD2 4.33Å; L807-L851 HydrophobicContact CD2-CB 4.16Å; L807-L851 HydrophobicContact CD2-CD2 3.68Å; L807-R854 HydrophobicContact CD2-CB 3.8Å; L807-A855 HydrophobicContact CD1-CB 3.93Å
808	S	89.9	Confident	89.8	Confident	75 Å²	75	72 Å²	72	52%	0.524	37%	0.367	S	S	.	.	H	α-helix	trans	-72.2	-29.8	-179.8	-59.8	0	0	0	0	112.8	T804 E805 G810	T804-S808 WeakPolarHBondContact O-CB 3.34Å; T804-S808 PolarHBondContact O-N 3.38Å; T804-S808 PolarHBondContact O-OG 2.92Å; E805-S808 PolarHBondContact O-N 3.48Å; E805-S808 VanDerWaalsContact O-N 3.11Å; S808-G810 PolarHBondContact O-N 3.14Å
809	Q	89.3	Confident	89.5	Confident	161 Å²	161	74.3 Å²	74.3	75%	0.752	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.1	170.8	-68.8	172.1	7	0	0	112.8	E805	E805-Q809 WeakPolarHBondContact O-CG 3.5Å; E805-Q809 PolarHBondContact O-N 2.98Å
810	G	83.5	Confident	89.2	Confident	39 Å²	39	69.5 Å²	69.5	40%	0.402	35%	0.348	S	S	.	.			trans	76.8	156.7	-176	0	0	0	0	0	112.3	L807 S808	L807-G810 PolarHBondContact O-N 3.37Å; S808-G810 PolarHBondContact O-N 3.14Å
811	S	87.1	Confident	89	Confident	21 Å²	21	69.9 Å²	69.9	15%	0.147	35%	0.35	C	S	.	.			trans	-96.7	140.5	176.4	-53.2	0	0	0	0	110.3	A817	S811-A817 WeakPolarHBondContact OG-CA 3.34Å
812	R	82.1	Confident	88.8	Confident	232 Å²	232	69.9 Å²	69.9	88%	0.875	35%	0.35	S	S	*	.	S	Bend	trans	-76.9	-33	179.7	-62.6	179.6	-178.6	-179.3	0.8	112	E816	R812-E816 PolarHBondContact N-OE2 3.35Å
813	D	82.9	Confident	88.8	Confident	74 Å²	74	70 Å²	70	40%	0.396	35%	0.345	S	S	.	.	S	Bend	trans	-142.1	172.4	179.7	67.4	46.3	0	0	0	112.4	A815 E816 A817	D813-A815 VanDerWaalsContact C-N 3.31Å; D813-A815 PolarHBondContact O-N 2.82Å; D813-A815 WeakPolarHBondContact OD1-CA 3.36Å; D813-A815 WeakPolarHBondContact OD1-CB 3.36Å; D813-A815 PolarHBondContact OD1-N 3.47Å; D813-E816 PolarHBondContact OD1-N 3.34Å; D813-A817 PolarHBondContact O-N 2.9Å
814	V	83.8	Confident	88.9	Confident	4 Å²	4	69.8 Å²	69.8	2%	0.024	34%	0.343	C	S	.	.	H	α-helix	trans	-67.3	-31.2	-178.8	174.5	0	0	0	0	112	A817 L818 L862 Q863	V814-A817 PolarHBondContact O-N 3.28Å; V814-L818 HydrophobicContact CG1-CD1 3.84Å; V814-L818 HydrophobicContact CG1-CG 4.25Å; V814-L818 WeakPolarHBondContact O-CB 3.35Å; V814-L818 VanDerWaalsContact O-CG 3.25Å; V814-L818 WeakPolarHBondContact O-CG 3.18Å; V814-L818 PolarHBondContact O-N 3.48Å; V814-L862 HydrophobicContact CG2-CB 3.69Å; V814-Q863 HydrophobicContact CG1-CG 3.87Å; V814-Q863 HydrophobicContact CG2-CG 3.85Å
815	A	83.4	Confident	88.9	Confident	53 Å²	53	69.3 Å²	69.3	44%	0.438	35%	0.346	S	S	.	.	H	α-helix	trans	-70.6	-42.7	-177.9	0	0	0	0	0	111.4	D813 L818 R819	D813-A815 VanDerWaalsContact C-N 3.31Å; D813-A815 PolarHBondContact O-N 2.82Å; D813-A815 WeakPolarHBondContact OD1-CA 3.36Å; D813-A815 WeakPolarHBondContact OD1-CB 3.36Å; D813-A815 PolarHBondContact OD1-N 3.47Å; A815-L818 PolarHBondContact O-N 2.96Å; A815-R819 WeakPolarHBondContact O-CG 3.36Å; A815-R819 PolarHBondContact O-N 3.37Å
816	E	86	Confident	89	Confident	72 Å²	72	71.3 Å²	71.3	34%	0.336	35%	0.349	S	S	.	.	H	α-helix	trans	-61.1	-45.8	172.5	-175.6	179.1	-156.1	0	0	111.2	R812 D813 L818 R819 L820	R812-E816 PolarHBondContact N-OE2 3.35Å; D813-E816 PolarHBondContact OD1-N 3.34Å; E816-L818 VanDerWaalsContact C-N 3.34Å; E816-L818 PolarHBondContact O-N 2.84Å; E816-R819 PolarHBondContact O-N 3.37Å; E816-L820 PolarHBondContact O-N 3.19Å
817	A	87.1	Confident	89.3	Confident	2 Å²	2	66.2 Å²	66.2	2%	0.017	33%	0.331	C	S	.	.	H	α-helix	trans	-62.2	-39.5	178.3	0	0	0	0	0	112.5	S811 D813 V814 S821 I859 L862	S811-A817 WeakPolarHBondContact OG-CA 3.34Å; D813-A817 PolarHBondContact O-N 2.9Å; V814-A817 PolarHBondContact O-N 3.28Å; A817-S821 WeakPolarHBondContact O-CB 3.39Å; A817-S821 PolarHBondContact O-N 3.42Å; A817-I859 HydrophobicContact CB-CG1 3.56Å; A817-L862 HydrophobicContact CB-CD1 3.98Å
818	L	86.9	Confident	89.7	Confident	82 Å²	82	67.5 Å²	67.5	43%	0.429	34%	0.337	S	S	.	.	H	α-helix	trans	-67.5	-40.8	175.6	-76.6	168.8	0	0	0	112.5	V814 A815 E816 S821 K822 I859	V814-L818 HydrophobicContact CG1-CD1 3.84Å; V814-L818 HydrophobicContact CG1-CG 4.25Å; V814-L818 WeakPolarHBondContact O-CB 3.35Å; V814-L818 VanDerWaalsContact O-CG 3.25Å; V814-L818 WeakPolarHBondContact O-CG 3.18Å; V814-L818 PolarHBondContact O-N 3.48Å; A815-L818 PolarHBondContact O-N 2.96Å; E816-L818 VanDerWaalsContact C-N 3.34Å; E816-L818 PolarHBondContact O-N 2.84Å; L818-S821 PolarHBondContact O-N 3.25Å; L818-K822 PolarHBondContact O-N 3.46Å; L818-I859 HydrophobicContact CD2-CD1 3.91Å; L818-I859 HydrophobicContact CD2-CG1 4.45Å; L818-I859 HydrophobicContact CD2-CG2 4.23Å; L818-I859 HydrophobicContact CG-CD1 4.4Å
819	R	89.6	Confident	90	Very high	178 Å²	178	70.3 Å²	70.3	67%	0.672	34%	0.342	S	S	*	.	H	α-helix	trans	-61.2	-48.2	174.8	-74.1	173.1	-175.9	-179.4	1.9	110.9	A815 E816 S821 K822 D823	A815-R819 WeakPolarHBondContact O-CG 3.36Å; A815-R819 PolarHBondContact O-N 3.37Å; E816-R819 PolarHBondContact O-N 3.37Å; R819-S821 VanDerWaalsContact C-N 3.32Å; R819-S821 PolarHBondContact O-N 3.03Å; R819-K822 WeakPolarHBondContact O-CB 3.49Å; R819-K822 PolarHBondContact O-N 2.77Å; R819-K822 VanDerWaalsContact O-N 3.1Å; R819-D823 VanDerWaalsContact O-CG 3.32Å; R819-D823 PolarHBondContact O-N 3.22Å
820	L	91.2	Very high	90.3	Very high	5 Å²	5	64.2 Å²	64.2	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-61.2	-41.3	177.8	-176.9	60.8	0	0	0	112.1	R806 L807 E816 K822 D823 I824	R806-L820 HydrophobicContact CB-CD1 4.08Å; R806-L820 HydrophobicContact CB-CD2 4.44Å; L807-L820 HydrophobicContact CB-CD2 3.88Å; L807-L820 HydrophobicContact CD1-CD2 3.56Å; L807-L820 HydrophobicContact CD1-CG 4.46Å; L807-L820 HydrophobicContact CG-CD2 4.33Å; E816-L820 PolarHBondContact O-N 3.19Å; L820-K822 VanDerWaalsContact C-N 3.32Å; L820-K822 PolarHBondContact O-N 2.94Å; L820-D823 PolarHBondContact O-N 3.32Å; L820-I824 HydrophobicContact CG-CD1 4.18Å; L820-I824 VanDerWaalsContact O-CG1 3.27Å; L820-I824 WeakPolarHBondContact O-CG1 3.36Å; L820-I824 PolarHBondContact O-N 3.16Å
821	S	92.9	Very high	91	Very high	13 Å²	13	62.3 Å²	62.3	9%	0.091	30%	0.3	C	S	.	.	H	α-helix	trans	-61.2	-38.7	174.2	-178.4	0	0	0	0	112.5	A817 L818 R819 G825 Q852 N856	A817-S821 WeakPolarHBondContact O-CB 3.39Å; A817-S821 PolarHBondContact O-N 3.42Å; L818-S821 PolarHBondContact O-N 3.25Å; R819-S821 VanDerWaalsContact C-N 3.32Å; R819-S821 PolarHBondContact O-N 3.03Å; S821-G825 PolarHBondContact O-N 3.35Å; S821-Q852 PolarHBondContact O-NE2 3.08Å; S821-Q852 PolarHBondContact O-OE1 3.14Å; S821-Q852 PolarHBondContact OG-NE2 2.84Å; S821-N856 PolarHBondContact OG-OD1 2.97Å; S821-N856 VanDerWaalsContact OG-OD1 3.12Å
822	K	93.3	Very high	91.4	Very high	131 Å²	131	66.2 Å²	66.2	57%	0.57	32%	0.319	S	S	*	.	H	α-helix	trans	-69.5	-40.6	175	-174	179.2	-179.8	178.5	0	112.3	L818 R819 L820 G825 R826	L818-K822 PolarHBondContact O-N 3.46Å; R819-K822 WeakPolarHBondContact O-CB 3.49Å; R819-K822 PolarHBondContact O-N 2.77Å; R819-K822 VanDerWaalsContact O-N 3.1Å; L820-K822 VanDerWaalsContact C-N 3.32Å; L820-K822 PolarHBondContact O-N 2.94Å; K822-G825 PolarHBondContact O-N 3.17Å; K822-R826 PolarHBondContact O-N 3.43Å
823	D	93.6	Very high	91.9	Very high	48 Å²	48	60.1 Å²	60.1	26%	0.257	31%	0.308	S	S	.	.	H	α-helix	trans	-62.3	-43.9	176.2	-67.9	-15.1	0	0	0	110.5	R806 R819 L820 G825 R826 L827	R806-D823 IonicContact NH1-OD2 3.45Å; R819-D823 VanDerWaalsContact O-CG 3.32Å; R819-D823 PolarHBondContact O-N 3.22Å; L820-D823 PolarHBondContact O-N 3.32Å; D823-G825 VanDerWaalsContact C-N 3.31Å; D823-G825 PolarHBondContact O-N 3.33Å; D823-R826 WeakPolarHBondContact O-CB 3.48Å; D823-R826 PolarHBondContact O-N 3.46Å; D823-R826 IonicContact OD1-NH1 2.74Å; D823-L827 WeakPolarHBondContact O-CG 3.39Å; D823-L827 PolarHBondContact O-N 3.43Å
824	I	95.2	Very high	92.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-42.7	172.8	-66.3	162.2	0	0	0	110.8	A803 L820 R826 L827 I828 L848 L851 Q852 A855	A803-I824 HydrophobicContact CB-CG1 4.46Å; L820-I824 HydrophobicContact CG-CD1 4.18Å; L820-I824 VanDerWaalsContact O-CG1 3.27Å; L820-I824 WeakPolarHBondContact O-CG1 3.36Å; L820-I824 PolarHBondContact O-N 3.16Å; I824-R826 VanDerWaalsContact C-N 3.33Å; I824-R826 PolarHBondContact O-N 2.86Å; I824-L827 PolarHBondContact O-N 3.27Å; I824-I828 HydrophobicContact CG2-CD1 4.29Å; I824-I828 WeakPolarHBondContact O-CG1 3.1Å; I824-I828 PolarHBondContact O-N 3.14Å; I824-L848 HydrophobicContact CG2-CD2 3.89Å; I824-L851 HydrophobicContact CD1-CB 4.02Å; I824-L851 HydrophobicContact CG2-CB 4.32Å; I824-Q852 HydrophobicContact CG2-CB 3.98Å; I824-Q852 VanDerWaalsContact CG2-OE1 3.24Å; I824-A855 HydrophobicContact CD1-CB 4Å
825	G	94.9	Very high	93	Very high	30 Å²	30	61.1 Å²	61.1	31%	0.309	32%	0.318	S	S	.	.	H	α-helix	trans	-58.7	-41.1	175.5	0	0	0	0	0	113.3	S821 K822 D823 I828 E829	S821-G825 PolarHBondContact O-N 3.35Å; K822-G825 PolarHBondContact O-N 3.17Å; D823-G825 VanDerWaalsContact C-N 3.31Å; D823-G825 PolarHBondContact O-N 3.33Å; G825-I828 WeakPolarHBondContact O-CB 3.21Å; G825-I828 PolarHBondContact O-N 3.28Å; G825-E829 PolarHBondContact O-N 3.35Å
826	R	96.5	Very high	93.7	Very high	141 Å²	141	58.6 Å²	58.6	53%	0.532	30%	0.297	S	S	.	.	H	α-helix	trans	-66.4	-40.1	174.3	-71.4	170.8	168.7	175	-10.6	112.3	K822 D823 I824 I828 E829 A830	K822-R826 PolarHBondContact O-N 3.43Å; D823-R826 WeakPolarHBondContact O-CB 3.48Å; D823-R826 PolarHBondContact O-N 3.46Å; D823-R826 IonicContact OD1-NH1 2.74Å; I824-R826 VanDerWaalsContact C-N 3.33Å; I824-R826 PolarHBondContact O-N 2.86Å; R826-I828 VanDerWaalsContact C-N 3.3Å; R826-I828 PolarHBondContact O-N 3.19Å; R826-E829 PolarHBondContact O-N 2.96Å; R826-A830 WeakPolarHBondContact O-CB 3.47Å; R826-A830 PolarHBondContact O-N 2.76Å
827	L	97	Very high	94.3	Very high	14 Å²	14	55.2 Å²	55.2	7%	0.073	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-36.2	175.5	-71.2	174.3	0	0	0	112	E799 A803 D823 I824 A830 V831 L848	E799-L827 HydrophobicContact CB-CD2 3.81Å; E799-L827 WeakPolarHBondContact OE2-CD2 3.48Å; A803-L827 HydrophobicContact CB-CD1 3.91Å; D823-L827 WeakPolarHBondContact O-CG 3.39Å; D823-L827 PolarHBondContact O-N 3.43Å; I824-L827 PolarHBondContact O-N 3.27Å; L827-A830 PolarHBondContact O-N 3.09Å; L827-V831 WeakPolarHBondContact O-CB 3.42Å; L827-V831 VanDerWaalsContact O-CG2 3.26Å; L827-V831 WeakPolarHBondContact O-CG2 3.4Å; L827-V831 PolarHBondContact O-N 3.45Å; L827-L848 HydrophobicContact CB-CD1 4.04Å; L827-L848 HydrophobicContact CB-CD2 3.72Å; L827-L848 HydrophobicContact CD1-CD2 4.13Å
828	I	97.6	Very high	94.7	Very high	42 Å²	42	56 Å²	56	22%	0.215	28%	0.284	C	S	.	.	H	α-helix	trans	-58.9	-49.7	173.6	-70.3	167.4	0	0	0	110	I824 G825 R826 V831 D832 L845 L848 Q852	I824-I828 HydrophobicContact CG2-CD1 4.29Å; I824-I828 WeakPolarHBondContact O-CG1 3.1Å; I824-I828 PolarHBondContact O-N 3.14Å; G825-I828 WeakPolarHBondContact O-CB 3.21Å; G825-I828 PolarHBondContact O-N 3.28Å; R826-I828 VanDerWaalsContact C-N 3.3Å; R826-I828 PolarHBondContact O-N 3.19Å; I828-V831 PolarHBondContact O-N 2.9Å; I828-D832 VanDerWaalsContact O-CB 3.27Å; I828-D832 WeakPolarHBondContact O-CB 3.36Å; I828-D832 PolarHBondContact O-N 2.94Å; I828-L845 HydrophobicContact CG2-CD2 4.2Å; I828-L848 HydrophobicContact CD1-CB 4.31Å; I828-L848 HydrophobicContact CG1-CB 3.63Å; I828-L848 HydrophobicContact CG1-CD1 4.15Å; I828-L848 HydrophobicContact CG1-CG 4.35Å; I828-Q852 HydrophobicContact CD1-CB 4.3Å; I828-Q852 HydrophobicContact CD1-CG 4.47Å
829	E	96.1	Very high	95.3	Very high	134 Å²	134	53.9 Å²	53.9	63%	0.626	27%	0.271	S	S	*	.	H	α-helix	trans	-63.5	-42.9	179.2	-173.9	177.3	-174.1	0	0	112.2	G825 R826 D832 T833	G825-E829 PolarHBondContact O-N 3.35Å; R826-E829 PolarHBondContact O-N 2.96Å; E829-D832 PolarHBondContact O-N 3.15Å; E829-T833 WeakPolarHBondContact O-CG2 3.21Å; E829-T833 PolarHBondContact O-N 2.82Å; E829-T833 VanDerWaalsContact O-N 3.15Å; E829-T833 PolarHBondContact O-OG1 3.01Å
830	A	96.7	Very high	95.6	Very high	33 Å²	33	46.3 Å²	46.3	27%	0.273	24%	0.243	S	C	.	.	H	α-helix	trans	-62.3	-47.2	177.6	0	0	0	0	0	111.9	L796 R826 L827 S834	L796-A830 HydrophobicContact CD2-CB 4.13Å; R826-A830 WeakPolarHBondContact O-CB 3.47Å; R826-A830 PolarHBondContact O-N 2.76Å; L827-A830 PolarHBondContact O-N 3.09Å; A830-S834 WeakPolarHBondContact O-CB 2.87Å; A830-S834 PolarHBondContact O-N 3.11Å; A830-S834 VanDerWaalsContact O-N 3.08Å; A830-S834 PolarHBondContact O-OG 3.02Å
831	V	97.3	Very high	95.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66	-39.5	178.5	171.7	0	0	0	0	111.6	L796 L827 I828 T833 M836 R841 L844 L845 L848	L796-V831 HydrophobicContact CB-CG2 4.26Å; L796-V831 HydrophobicContact CD1-CG2 4.19Å; L796-V831 HydrophobicContact CD2-CG2 4.46Å; L827-V831 WeakPolarHBondContact O-CB 3.42Å; L827-V831 VanDerWaalsContact O-CG2 3.26Å; L827-V831 WeakPolarHBondContact O-CG2 3.4Å; L827-V831 PolarHBondContact O-N 3.45Å; I828-V831 PolarHBondContact O-N 2.9Å; V831-T833 VanDerWaalsContact C-N 3.35Å; V831-T833 PolarHBondContact O-N 2.67Å; V831-M836 HydrophobicContact CG1-SD 4.18Å; V831-R841 HydrophobicContact CG1-CG 3.91Å; V831-R841 WeakPolarHBondContact O-CG 3.31Å; V831-L844 HydrophobicContact CG1-CB 3.95Å; V831-L844 HydrophobicContact CG2-CB 4.39Å; V831-L844 HydrophobicContact CG2-CD1 4.27Å; V831-L845 HydrophobicContact CB-CD2 4.14Å; V831-L845 HydrophobicContact CG1-CD2 3.88Å; V831-L845 HydrophobicContact CG1-CG 3.75Å; V831-L848 HydrophobicContact CB-CD1 4.32Å; V831-L848 HydrophobicContact CG2-CD1 3.89Å
832	D	94.6	Very high	96.1	Very high	102 Å²	102	50.9 Å²	50.9	55%	0.545	26%	0.258	S	S	.	.	H	α-helix	trans	-66.9	-35.9	-177.4	-161.7	53.7	0	0	0	112.5	I828 E829 L845	I828-D832 VanDerWaalsContact O-CB 3.27Å; I828-D832 WeakPolarHBondContact O-CB 3.36Å; I828-D832 PolarHBondContact O-N 2.94Å; E829-D832 PolarHBondContact O-N 3.15Å; D832-L845 HydrophobicContact CB-CD2 4.34Å
833	T	93.4	Very high	96.3	Very high	105 Å²	105	47.5 Å²	47.5	64%	0.644	24%	0.244	S	C	*	.	H	α-helix	trans	-94.8	-18.8	-175.4	56.7	0	0	0	0	114.6	E829 V831	E829-T833 WeakPolarHBondContact O-CG2 3.21Å; E829-T833 PolarHBondContact O-N 2.82Å; E829-T833 VanDerWaalsContact O-N 3.15Å; E829-T833 PolarHBondContact O-OG1 3.01Å; V831-T833 VanDerWaalsContact C-N 3.35Å; V831-T833 PolarHBondContact O-N 2.67Å
834	S	95.2	Very high	96.5	Very high	22 Å²	22	46.1 Å²	46.1	15%	0.154	24%	0.237	C	C	.	.	S	Bend	trans	-72.4	141.8	-176.7	-70.5	0	0	0	0	113.1	A830 M836 R841	A830-S834 WeakPolarHBondContact O-CB 2.87Å; A830-S834 PolarHBondContact O-N 3.11Å; A830-S834 VanDerWaalsContact O-N 3.08Å; A830-S834 PolarHBondContact O-OG 3.02Å; S834-M836 PolarHBondContact O-N 3.02Å; S834-R841 PolarHBondContact O-NH2 3.31Å
835	V	95.2	Very high	96.6	Very high	77 Å²	77	47 Å²	47	47%	0.467	24%	0.242	S	C	.	.			trans	-77.3	106.5	168.9	-177.9	0	0	0	0	108.6	I766 I781 A789	I766-V835 HydrophobicContact CB-CG1 4.32Å; I766-V835 HydrophobicContact CD1-CG1 4.42Å; I766-V835 HydrophobicContact CG2-CG1 3.7Å; I781-V835 HydrophobicContact CD1-CG1 3.89Å; A789-V835 WeakPolarHBondContact CA-O 3.38Å; A789-V835 HydrophobicContact CB-CG1 4.27Å; A789-V835 WeakPolarHBondContact CB-O 3.49Å
836	M	97.1	Very high	96.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.25	C	S	.	.			trans	-153.1	169.3	-175.9	69.8	-179.6	-72.3	0	0	110.1	G793 L796 V831 S834 Q838 Q840 R841 L844	G793-M836 VanDerWaalsContact CA-CE 3.47Å; L796-M836 HydrophobicContact CD1-SD 3.97Å; V831-M836 HydrophobicContact CG1-SD 4.18Å; S834-M836 PolarHBondContact O-N 3.02Å; M836-Q838 PolarHBondContact O-N 2.71Å; M836-Q840 HydrophobicContact CE-CB 3.9Å; M836-Q840 HydrophobicContact CE-CG 3.73Å; M836-R841 HydrophobicContact CG-CB 4.06Å; M836-R841 HydrophobicContact SD-CB 4.18Å; M836-R841 HydrophobicContact SD-CG 4.49Å; M836-L844 HydrophobicContact CE-CD1 3.68Å
837	P	98.1	Very high	96.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	24%	0.242	C	C	.	.			trans	-55	127.3	176.4	-24.9	33.6	0	0	0	112.3	V764 A789 R790 W839 Q840 R841	V764-P837 HydrophobicContact CG1-CB 4.03Å; V764-P837 HydrophobicContact CG1-CG 3.81Å; V764-P837 HydrophobicContact CG2-CG 4.38Å; A789-P837 WeakPolarHBondContact O-CD 3.36Å; R790-P837 HydrophobicContact CG-CG 4.11Å; P837-W839 VanDerWaalsContact C-N 3.33Å; P837-W839 PolarHBondContact O-N 3.2Å; P837-Q840 HydrophobicContact CB-CB 4.12Å; P837-Q840 WeakPolarHBondContact O-CB 3.32Å; P837-Q840 PolarHBondContact O-N 3.4Å; P837-R841 PolarHBondContact O-N 2.94Å
838	Q	97.5	Very high	96.7	Very high	18 Å²	18	43.9 Å²	43.9	8%	0.084	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-36.2	-171.3	173.7	60.6	-9.5	0	0	112.5	L677 I765 D768 M836 Q840 R841 R842	L677-Q838 HydrophobicContact CD1-CB 4.49Å; L677-Q838 HydrophobicContact CD1-CG 3.94Å; I765-Q838 HydrophobicContact CG2-CB 4.37Å; I765-Q838 VanDerWaalsContact O-CB 3.22Å; I765-Q838 WeakPolarHBondContact O-CB 3.22Å; I765-Q838 PolarHBondContact O-N 3.33Å; D768-Q838 WeakPolarHBondContact OD1-CG 3.48Å; D768-Q838 PolarHBondContact OD1-NE2 3.49Å; M836-Q838 PolarHBondContact O-N 2.71Å; Q838-Q840 VanDerWaalsContact C-N 3.29Å; Q838-Q840 PolarHBondContact O-N 3.38Å; Q838-R841 PolarHBondContact O-N 3.08Å; Q838-R842 WeakPolarHBondContact O-CG 3.46Å; Q838-R842 PolarHBondContact O-N 3.39Å; Q838-R842 VanDerWaalsContact O-N 3.1Å
839	W	97.6	Very high	96.7	Very high	37 Å²	37	47.6 Å²	47.6	14%	0.14	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-42.8	173.4	63.6	-96.9	0	0	0	111.1	P674 L677 R678 E681 P837 R842 E843	P674-W839 HydrophobicContact CB-CB 4.24Å; P674-W839 WeakPolarHBondContact O-CB 3.34Å; L677-W839 HydrophobicContact CB-CB 3.84Å; R678-W839 HydrophobicContact CB-CB 4.31Å; R678-W839 HydrophobicContact CB-CD2 3.94Å; R678-W839 HydrophobicContact CB-CG 3.84Å; R678-W839 HydrophobicContact CG-CD2 4.03Å; R678-W839 HydrophobicContact CG-CG 4.39Å; R678-W839 HydrophobicContact CG-CZ2 4.19Å; R678-W839 VanDerWaalsContact CZ-CZ3 3.45Å; E681-W839 PolarHBondContact OE2-NE1 3.35Å; P837-W839 VanDerWaalsContact C-N 3.33Å; P837-W839 PolarHBondContact O-N 3.2Å; W839-R842 PolarHBondContact O-N 3.34Å; W839-E843 WeakPolarHBondContact CZ3-OE2 3.37Å; W839-E843 PolarHBondContact O-N 3.2Å; W839-E843 VanDerWaalsContact O-N 3.13Å
840	Q	97.8	Very high	96.7	Very high	20 Å²	20	46.8 Å²	46.8	9%	0.093	25%	0.251	C	S	.	.	H	α-helix	trans	-70.2	-42	-177.5	-166.3	-179.8	18.2	0	0	110.4	G793 M836 P837 Q838 R842 E843 L844	G793-Q840 PolarHBondContact O-NE2 3.34Å; M836-Q840 HydrophobicContact CE-CB 3.9Å; M836-Q840 HydrophobicContact CE-CG 3.73Å; P837-Q840 HydrophobicContact CB-CB 4.12Å; P837-Q840 WeakPolarHBondContact O-CB 3.32Å; P837-Q840 PolarHBondContact O-N 3.4Å; Q838-Q840 VanDerWaalsContact C-N 3.29Å; Q838-Q840 PolarHBondContact O-N 3.38Å; Q840-R842 VanDerWaalsContact C-N 3.32Å; Q840-R842 PolarHBondContact O-N 3.49Å; Q840-E843 PolarHBondContact O-N 2.95Å; Q840-L844 HydrophobicContact CG-CD1 4.17Å; Q840-L844 HydrophobicContact CG-CG 4.28Å; Q840-L844 WeakPolarHBondContact O-CB 3.36Å; Q840-L844 VanDerWaalsContact O-CG 3.31Å; Q840-L844 WeakPolarHBondContact O-CG 3.49Å; Q840-L844 PolarHBondContact O-N 3.45Å
841	R	97.6	Very high	96.6	Very high	33 Å²	33	45.4 Å²	45.4	13%	0.125	24%	0.239	C	C	.	.	H	α-helix	trans	-54.1	-49.3	173.8	-172.6	-174.4	-64.9	131.2	-4.9	111	I766 V831 S834 M836 P837 Q838 E843 L844 L845	I766-R841 PolarHBondContact O-NH1 3.31Å; I766-R841 PolarHBondContact O-NH2 2.97Å; V831-R841 HydrophobicContact CG1-CG 3.91Å; V831-R841 WeakPolarHBondContact O-CG 3.31Å; S834-R841 PolarHBondContact O-NH2 3.31Å; M836-R841 HydrophobicContact CG-CB 4.06Å; M836-R841 HydrophobicContact SD-CB 4.18Å; M836-R841 HydrophobicContact SD-CG 4.49Å; P837-R841 PolarHBondContact O-N 2.94Å; Q838-R841 PolarHBondContact O-N 3.08Å; R841-E843 PolarHBondContact O-N 3.06Å; R841-L844 PolarHBondContact O-N 3.37Å; R841-L845 HydrophobicContact CG-CD1 3.97Å; R841-L845 HydrophobicContact CG-CG 4.43Å; R841-L845 WeakPolarHBondContact O-CB 3.27Å; R841-L845 VanDerWaalsContact O-CG 3.29Å; R841-L845 WeakPolarHBondContact O-CG 3.28Å; R841-L845 PolarHBondContact O-N 3.47Å
842	R	96.9	Very high	96.5	Very high	80 Å²	80	47.1 Å²	47.1	30%	0.302	25%	0.247	S	C	.	.	H	α-helix	trans	-60.9	-45	-179.7	-76	178.2	164.8	-174.4	-2.1	112.4	L672 P674 D768 Q838 W839 Q840 A846	L672-R842 PolarHBondContact O-NH1 3.31Å; P674-R842 HydrophobicContact CG-CB 4.11Å; D768-R842 IonicContact OD1-CZ 3.11Å; D768-R842 IonicContact OD1-NE 2.83Å; D768-R842 IonicContact OD1-NH1 3.28Å; D768-R842 IonicContact OD1-NH2 2.93Å; D768-R842 PolarHBondContact OD1-NH2 3.11Å; D768-R842 IonicContact OD2-CZ 3.77Å; D768-R842 VanDerWaalsContact OD2-CZ 3.3Å; D768-R842 IonicContact OD2-NH1 3.63Å; D768-R842 PolarHBondContact OD2-NH1 3.29Å; D768-R842 IonicContact OD2-NH2 3.91Å; D768-R842 PolarHBondContact OD2-NH2 2.94Å; Q838-R842 WeakPolarHBondContact O-CG 3.46Å; Q838-R842 PolarHBondContact O-N 3.39Å; Q838-R842 VanDerWaalsContact O-N 3.1Å; W839-R842 PolarHBondContact O-N 3.34Å; Q840-R842 VanDerWaalsContact C-N 3.32Å; Q840-R842 PolarHBondContact O-N 3.49Å; R842-A846 WeakPolarHBondContact O-CB 3.35Å; R842-A846 PolarHBondContact O-N 2.88Å
843	E	96.9	Very high	96.4	Very high	61 Å²	61	51.3 Å²	51.3	29%	0.285	26%	0.255	S	S	.	.	H	α-helix	trans	-64.3	-48.6	176.9	-73	-179.9	154.9	0	0	112.3	P674 R678 W839 Q840 R841 L845 A846 T847	P674-E843 HydrophobicContact CB-CG 4.17Å; R678-E843 IonicContact CZ-OE1 2.93Å; R678-E843 IonicContact CZ-OE2 3.97Å; R678-E843 IonicContact NH1-OE1 3.34Å; R678-E843 IonicContact NH2-OE1 2.85Å; R678-E843 PolarHBondContact NH2-OE1 3.13Å; R678-E843 IonicContact NH2-OE2 3.28Å; R678-E843 PolarHBondContact NH2-OE2 3.41Å; W839-E843 WeakPolarHBondContact CZ3-OE2 3.37Å; W839-E843 PolarHBondContact O-N 3.2Å; W839-E843 VanDerWaalsContact O-N 3.13Å; Q840-E843 PolarHBondContact O-N 2.95Å; R841-E843 PolarHBondContact O-N 3.06Å; E843-L845 PolarHBondContact O-N 2.94Å; E843-A846 WeakPolarHBondContact O-CB 3.27Å; E843-A846 PolarHBondContact O-N 3.42Å; E843-T847 PolarHBondContact O-N 3.37Å; E843-T847 PolarHBondContact O-OG1 3.08Å
844	L	97.8	Very high	96.4	Very high	19 Å²	19	52.1 Å²	52.1	10%	0.099	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-41.9	179.7	-68.2	-176.9	0	0	0	111.6	L796 A797 V800 V831 M836 Q840 R841 A846 T847 L848	L796-L844 HydrophobicContact CB-CD1 4.38Å; A797-L844 HydrophobicContact CB-CD1 4.19Å; A797-L844 HydrophobicContact CB-CD2 4.05Å; V800-L844 HydrophobicContact CB-CD2 4.14Å; V800-L844 HydrophobicContact CG1-CD2 4.15Å; V800-L844 HydrophobicContact CG2-CD2 4.16Å; V831-L844 HydrophobicContact CG1-CB 3.95Å; V831-L844 HydrophobicContact CG2-CB 4.39Å; V831-L844 HydrophobicContact CG2-CD1 4.27Å; M836-L844 HydrophobicContact CE-CD1 3.68Å; Q840-L844 HydrophobicContact CG-CD1 4.17Å; Q840-L844 HydrophobicContact CG-CG 4.28Å; Q840-L844 WeakPolarHBondContact O-CB 3.36Å; Q840-L844 VanDerWaalsContact O-CG 3.31Å; Q840-L844 WeakPolarHBondContact O-CG 3.49Å; Q840-L844 PolarHBondContact O-N 3.45Å; R841-L844 PolarHBondContact O-N 3.37Å; L844-A846 PolarHBondContact O-N 3.32Å; L844-T847 PolarHBondContact O-N 3.36Å; L844-L848 VanDerWaalsContact O-CB 3.31Å; L844-L848 WeakPolarHBondContact O-CB 3.22Å; L844-L848 VanDerWaalsContact O-CG 3.31Å; L844-L848 WeakPolarHBondContact O-CG 3.45Å; L844-L848 PolarHBondContact O-N 2.74Å
845	L	97.4	Very high	96.2	Very high	19 Å²	19	51.1 Å²	51.1	10%	0.099	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-38.5	175.3	-73.4	175.7	0	0	0	112.3	I828 V831 D832 R841 E843 K849	I828-L845 HydrophobicContact CG2-CD2 4.2Å; V831-L845 HydrophobicContact CB-CD2 4.14Å; V831-L845 HydrophobicContact CG1-CD2 3.88Å; V831-L845 HydrophobicContact CG1-CG 3.75Å; D832-L845 HydrophobicContact CB-CD2 4.34Å; R841-L845 HydrophobicContact CG-CD1 3.97Å; R841-L845 HydrophobicContact CG-CG 4.43Å; R841-L845 WeakPolarHBondContact O-CB 3.27Å; R841-L845 VanDerWaalsContact O-CG 3.29Å; R841-L845 WeakPolarHBondContact O-CG 3.28Å; R841-L845 PolarHBondContact O-N 3.47Å; E843-L845 PolarHBondContact O-N 2.94Å; L845-K849 WeakPolarHBondContact O-CB 3.44Å; L845-K849 WeakPolarHBondContact O-CG 3.49Å; L845-K849 PolarHBondContact O-N 3.04Å
846	A	96.8	Very high	95.9	Very high	59 Å²	59	50.4 Å²	50.4	49%	0.488	23%	0.233	S	C	.	.	H	α-helix	trans	-62.6	-46.7	174.9	0	0	0	0	0	111.1	R842 E843 L844 K849 M850	R842-A846 WeakPolarHBondContact O-CB 3.35Å; R842-A846 PolarHBondContact O-N 2.88Å; E843-A846 WeakPolarHBondContact O-CB 3.27Å; E843-A846 PolarHBondContact O-N 3.42Å; L844-A846 PolarHBondContact O-N 3.32Å; A846-K849 PolarHBondContact O-N 2.97Å; A846-M850 PolarHBondContact O-N 3.49Å; A846-M850 VanDerWaalsContact O-N 3.14Å
847	T	96.9	Very high	95.6	Very high	59 Å²	59	54.4 Å²	54.4	36%	0.362	26%	0.257	S	S	.	.	H	α-helix	trans	-61.9	-49.4	175.7	-67.1	0	0	0	0	111.3	V800 E843 L844 K849 M850 L851	V800-T847 HydrophobicContact CG1-CG2 4.01Å; E843-T847 PolarHBondContact O-N 3.37Å; E843-T847 PolarHBondContact O-OG1 3.08Å; L844-T847 PolarHBondContact O-N 3.36Å; T847-K849 PolarHBondContact O-N 2.93Å; T847-M850 CarbonylContact O-C 3.54Å; T847-M850 WeakPolarHBondContact O-CA 3.45Å; T847-M850 WeakPolarHBondContact O-CB 3.5Å; T847-M850 PolarHBondContact O-N 3.49Å; T847-L851 HydrophobicContact CG2-CD1 4.01Å; T847-L851 HydrophobicContact CG2-CG 4.24Å; T847-L851 WeakPolarHBondContact O-CG 3.29Å; T847-L851 PolarHBondContact O-N 3.4Å
848	L	97.4	Very high	95.1	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-40.9	179.7	-78.2	166.1	0	0	0	112.6	V800 I824 L827 I828 V831 L844 M850 L851 Q852	V800-L848 HydrophobicContact CG1-CD2 4.34Å; V800-L848 HydrophobicContact CG1-CG 4.24Å; V800-L848 HydrophobicContact CG2-CD1 3.86Å; V800-L848 HydrophobicContact CG2-CD2 4Å; V800-L848 HydrophobicContact CG2-CG 3.93Å; I824-L848 HydrophobicContact CG2-CD2 3.89Å; L827-L848 HydrophobicContact CB-CD1 4.04Å; L827-L848 HydrophobicContact CB-CD2 3.72Å; L827-L848 HydrophobicContact CD1-CD2 4.13Å; I828-L848 HydrophobicContact CD1-CB 4.31Å; I828-L848 HydrophobicContact CG1-CB 3.63Å; I828-L848 HydrophobicContact CG1-CD1 4.15Å; I828-L848 HydrophobicContact CG1-CG 4.35Å; V831-L848 HydrophobicContact CB-CD1 4.32Å; V831-L848 HydrophobicContact CG2-CD1 3.89Å; L844-L848 VanDerWaalsContact O-CB 3.31Å; L844-L848 WeakPolarHBondContact O-CB 3.22Å; L844-L848 VanDerWaalsContact O-CG 3.31Å; L844-L848 WeakPolarHBondContact O-CG 3.45Å; L844-L848 PolarHBondContact O-N 2.74Å; L848-M850 VanDerWaalsContact C-N 3.28Å; L848-M850 PolarHBondContact O-N 3.47Å; L848-L851 HydrophobicContact CD2-CD1 4.4Å; L848-L851 PolarHBondContact O-N 2.9Å; L848-Q852 WeakPolarHBondContact O-CB 3.43Å; L848-Q852 PolarHBondContact O-N 3.48Å
849	K	96.3	Very high	94.7	Very high	120 Å²	120	55.6 Å²	55.6	52%	0.522	27%	0.269	S	S	.	.	H	α-helix	trans	-60.6	-38.4	173.5	-76.2	171	-177.3	173.7	0	111.7	L845 A846 T847 R853	L845-K849 WeakPolarHBondContact O-CB 3.44Å; L845-K849 WeakPolarHBondContact O-CG 3.49Å; L845-K849 PolarHBondContact O-N 3.04Å; A846-K849 PolarHBondContact O-N 2.97Å; T847-K849 PolarHBondContact O-N 2.93Å; K849-R853 WeakPolarHBondContact O-CG 3.3Å; K849-R853 PolarHBondContact O-N 3.06Å
850	M	95.8	Very high	94.2	Very high	117 Å²	117	61 Å²	61	58%	0.576	29%	0.29	S	S	*	.	H	α-helix	trans	-67.5	-45.3	174.2	-170.5	-167.8	-60.6	0	0	111.8	A846 T847 L848 Q852 R853 R854	A846-M850 PolarHBondContact O-N 3.49Å; A846-M850 VanDerWaalsContact O-N 3.14Å; T847-M850 CarbonylContact O-C 3.54Å; T847-M850 WeakPolarHBondContact O-CA 3.45Å; T847-M850 WeakPolarHBondContact O-CB 3.5Å; T847-M850 PolarHBondContact O-N 3.49Å; L848-M850 VanDerWaalsContact C-N 3.28Å; L848-M850 PolarHBondContact O-N 3.47Å; M850-Q852 VanDerWaalsContact C-N 3.34Å; M850-Q852 PolarHBondContact O-N 2.82Å; M850-R853 PolarHBondContact O-N 2.95Å; M850-R854 PolarHBondContact O-N 2.96Å
851	L	94.3	Very high	93.8	Very high	4 Å²	4	67.9 Å²	67.9	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-42.7	176.8	-66.4	174.3	0	0	0	111.4	V800 T804 L807 I824 T847 L848 R853 R854 A855	V800-L851 HydrophobicContact CG1-CD1 4.39Å; T804-L851 HydrophobicContact CG2-CD2 4.17Å; T804-L851 WeakPolarHBondContact OG1-CD1 3.25Å; L807-L851 HydrophobicContact CD2-CB 4.16Å; L807-L851 HydrophobicContact CD2-CD2 3.68Å; I824-L851 HydrophobicContact CD1-CB 4.02Å; I824-L851 HydrophobicContact CG2-CB 4.32Å; T847-L851 HydrophobicContact CG2-CD1 4.01Å; T847-L851 HydrophobicContact CG2-CG 4.24Å; T847-L851 WeakPolarHBondContact O-CG 3.29Å; T847-L851 PolarHBondContact O-N 3.4Å; L848-L851 HydrophobicContact CD2-CD1 4.4Å; L848-L851 PolarHBondContact O-N 2.9Å; L851-R853 VanDerWaalsContact C-N 3.32Å; L851-R853 PolarHBondContact O-N 3.12Å; L851-R854 PolarHBondContact O-N 3.38Å; L851-R854 VanDerWaalsContact O-N 3.17Å; L851-A855 WeakPolarHBondContact O-CB 3.29Å; L851-A855 PolarHBondContact O-N 3.34Å
852	Q	95.2	Very high	93.3	Very high	36 Å²	36	68.7 Å²	68.7	17%	0.168	33%	0.326	C	S	.	.	H	α-helix	trans	-59.3	-43.5	176.9	-171.2	66	55.1	0	0	111.5	S821 I824 I828 L848 M850 N856	S821-Q852 PolarHBondContact O-NE2 3.08Å; S821-Q852 PolarHBondContact O-OE1 3.14Å; S821-Q852 PolarHBondContact OG-NE2 2.84Å; I824-Q852 HydrophobicContact CG2-CB 3.98Å; I824-Q852 VanDerWaalsContact CG2-OE1 3.24Å; I828-Q852 HydrophobicContact CD1-CB 4.3Å; I828-Q852 HydrophobicContact CD1-CG 4.47Å; L848-Q852 WeakPolarHBondContact O-CB 3.43Å; L848-Q852 PolarHBondContact O-N 3.48Å; M850-Q852 VanDerWaalsContact C-N 3.34Å; M850-Q852 PolarHBondContact O-N 2.82Å; Q852-N856 WeakPolarHBondContact O-CB 3.39Å; Q852-N856 PolarHBondContact O-N 3.3Å; Q852-N856 PolarHBondContact O-ND2 3.46Å
853	R	93.6	Very high	92.8	Very high	190 Å²	190	65.6 Å²	65.6	72%	0.717	32%	0.315	S	S	*	.	H	α-helix	trans	-62.7	-46.8	174.8	-71.4	173.5	-176.8	-176.1	1.7	111.2	K849 M850 L851 N856 T857	K849-R853 WeakPolarHBondContact O-CG 3.3Å; K849-R853 PolarHBondContact O-N 3.06Å; M850-R853 PolarHBondContact O-N 2.95Å; L851-R853 VanDerWaalsContact C-N 3.32Å; L851-R853 PolarHBondContact O-N 3.12Å; R853-N856 PolarHBondContact O-N 3.03Å; R853-T857 PolarHBondContact O-N 3Å; R853-T857 PolarHBondContact O-OG1 3.47Å; R853-T857 VanDerWaalsContact O-OG1 3.12Å
854	R	92.3	Very high	92.3	Very high	122 Å²	122	67.5 Å²	67.5	46%	0.46	33%	0.325	S	S	.	.	H	α-helix	trans	-62	-44.4	178.1	-74.7	177.1	66.3	-176	-2.2	112.1	L807 M850 L851 N856 T857 A858	L807-R854 HydrophobicContact CD2-CB 3.8Å; M850-R854 PolarHBondContact O-N 2.96Å; L851-R854 PolarHBondContact O-N 3.38Å; L851-R854 VanDerWaalsContact O-N 3.17Å; R854-N856 PolarHBondContact O-N 3.33Å; R854-T857 PolarHBondContact O-N 3.39Å; R854-A858 PolarHBondContact O-N 3.2Å
855	A	91.3	Very high	91.7	Very high	2 Å²	2	68.7 Å²	68.7	2%	0.017	34%	0.342	C	S	.	.	H	α-helix	trans	-59.5	-46.7	175.9	0	0	0	0	0	111.2	L807 I824 L851 T857 A858 I859	L807-A855 HydrophobicContact CD1-CB 3.93Å; I824-A855 HydrophobicContact CD1-CB 4Å; L851-A855 WeakPolarHBondContact O-CB 3.29Å; L851-A855 PolarHBondContact O-N 3.34Å; A855-T857 VanDerWaalsContact C-N 3.3Å; A855-T857 PolarHBondContact O-N 2.86Å; A855-A858 PolarHBondContact O-N 3.24Å; A855-I859 WeakPolarHBondContact O-CD1 3.36Å; A855-I859 VanDerWaalsContact O-CG1 3.27Å; A855-I859 WeakPolarHBondContact O-CG1 3.43Å; A855-I859 PolarHBondContact O-N 3.11Å
856	N	90.1	Very high	91.2	Very high	61 Å²	61	69.6 Å²	69.6	33%	0.326	35%	0.346	S	S	.	.	H	α-helix	trans	-64.1	-32.9	177.1	-71.2	-15.3	0	0	0	113	S821 Q852 R853 R854 R860	S821-N856 PolarHBondContact OG-OD1 2.97Å; S821-N856 VanDerWaalsContact OG-OD1 3.12Å; Q852-N856 WeakPolarHBondContact O-CB 3.39Å; Q852-N856 PolarHBondContact O-N 3.3Å; Q852-N856 PolarHBondContact O-ND2 3.46Å; R853-N856 PolarHBondContact O-N 3.03Å; R854-N856 PolarHBondContact O-N 3.33Å; N856-R860 WeakPolarHBondContact O-CG 3.34Å; N856-R860 PolarHBondContact O-N 3.41Å; N856-R860 VanDerWaalsContact O-N 3.14Å; N856-R860 PolarHBondContact O-NE 3.48Å
857	T	89.9	Confident	90.7	Very high	84 Å²	84	66.8 Å²	66.8	52%	0.515	32%	0.322	S	S	.	.	H	α-helix	trans	-70	-43.5	172.6	-61.5	0	0	0	0	111.6	R853 R854 A855 R860 K861	R853-T857 PolarHBondContact O-N 3Å; R853-T857 PolarHBondContact O-OG1 3.47Å; R853-T857 VanDerWaalsContact O-OG1 3.12Å; R854-T857 PolarHBondContact O-N 3.39Å; A855-T857 VanDerWaalsContact C-N 3.3Å; A855-T857 PolarHBondContact O-N 2.86Å; T857-R860 PolarHBondContact O-N 2.84Å; T857-K861 PolarHBondContact O-N 3.08Å
858	A	88.4	Confident	90.2	Very high	35 Å²	35	66.2 Å²	66.2	29%	0.289	32%	0.324	S	S	.	.	H	α-helix	trans	-60.8	-45.3	176.1	0	0	0	0	0	111.7	R854 A855 R860 K861 L862	R854-A858 PolarHBondContact O-N 3.2Å; A855-A858 PolarHBondContact O-N 3.24Å; A858-R860 VanDerWaalsContact C-N 3.32Å; A858-R860 PolarHBondContact O-N 2.95Å; A858-K861 PolarHBondContact O-N 2.95Å; A858-L862 WeakPolarHBondContact O-CG 3.38Å; A858-L862 PolarHBondContact O-N 2.93Å
859	I	88.2	Confident	89.7	Confident	10 Å²	10	73 Å²	73	5%	0.051	35%	0.353	C	S	.	.	H	α-helix	trans	-54.4	-49.6	173	-69.4	160.5	0	0	0	110.2	A817 L818 A855 K861 L862 Q863	A817-I859 HydrophobicContact CB-CG1 3.56Å; L818-I859 HydrophobicContact CD2-CD1 3.91Å; L818-I859 HydrophobicContact CD2-CG1 4.45Å; L818-I859 HydrophobicContact CD2-CG2 4.23Å; L818-I859 HydrophobicContact CG-CD1 4.4Å; A855-I859 WeakPolarHBondContact O-CD1 3.36Å; A855-I859 VanDerWaalsContact O-CG1 3.27Å; A855-I859 WeakPolarHBondContact O-CG1 3.43Å; A855-I859 PolarHBondContact O-N 3.11Å; I859-K861 VanDerWaalsContact C-N 3.34Å; I859-K861 PolarHBondContact O-N 3.31Å; I859-L862 PolarHBondContact O-N 3.01Å; I859-Q863 HydrophobicContact CG2-CG 4.24Å; I859-Q863 WeakPolarHBondContact O-CB 3.44Å; I859-Q863 WeakPolarHBondContact O-CG 3.49Å; I859-Q863 PolarHBondContact O-N 3Å
860	R	87.3	Confident	89.3	Confident	151 Å²	151	68.4 Å²	68.4	57%	0.57	33%	0.333	S	S	*	.	H	α-helix	trans	-60.3	-43	-179.7	-80.8	-173	-94.6	-157	-2.7	112.3	N856 T857 A858 M864	N856-R860 WeakPolarHBondContact O-CG 3.34Å; N856-R860 PolarHBondContact O-N 3.41Å; N856-R860 VanDerWaalsContact O-N 3.14Å; N856-R860 PolarHBondContact O-NE 3.48Å; T857-R860 PolarHBondContact O-N 2.84Å; A858-R860 VanDerWaalsContact C-N 3.32Å; A858-R860 PolarHBondContact O-N 2.95Å; R860-M864 WeakPolarHBondContact O-CB 3.33Å; R860-M864 VanDerWaalsContact O-CG 3.31Å; R860-M864 WeakPolarHBondContact O-CG 3.45Å; R860-M864 PolarHBondContact O-N 3.44Å
861	K	88.5	Confident	88.8	Confident	164 Å²	164	62.9 Å²	62.9	71%	0.713	31%	0.306	S	S	*	.	H	α-helix	trans	-64.4	-46.7	178.5	-172.2	179	179.2	-178.1	0	111.9	T857 A858 I859 M864 G865	T857-K861 PolarHBondContact O-N 3.08Å; A858-K861 PolarHBondContact O-N 2.95Å; I859-K861 VanDerWaalsContact C-N 3.34Å; I859-K861 PolarHBondContact O-N 3.31Å; K861-M864 PolarHBondContact O-N 2.96Å; K861-G865 PolarHBondContact O-N 3.43Å
862	L	87.3	Confident	88.4	Confident	50 Å²	50	67.1 Å²	67.1	26%	0.262	33%	0.325	S	S	.	.	H	α-helix	trans	-62.3	-45.7	177.4	-73.4	169.1	0	0	0	111.5	V814 A817 A858 I859 M864 G865 Q866	V814-L862 HydrophobicContact CG2-CB 3.69Å; A817-L862 HydrophobicContact CB-CD1 3.98Å; A858-L862 WeakPolarHBondContact O-CG 3.38Å; A858-L862 PolarHBondContact O-N 2.93Å; I859-L862 PolarHBondContact O-N 3.01Å; L862-M864 VanDerWaalsContact C-N 3.29Å; L862-M864 PolarHBondContact O-N 2.95Å; L862-G865 PolarHBondContact O-N 3.12Å; L862-Q866 WeakPolarHBondContact O-CG 3.43Å; L862-Q866 PolarHBondContact O-N 3.18Å
863	Q	87.6	Confident	88	Confident	14 Å²	14	69 Å²	69	7%	0.065	33%	0.334	C	S	.	.	H	α-helix	trans	-60.7	-37.9	175.4	-72.3	176.1	-21	0	0	112.5	V814 I859 A867 S894 V895 K898	V814-Q863 HydrophobicContact CG1-CG 3.87Å; V814-Q863 HydrophobicContact CG2-CG 3.85Å; I859-Q863 HydrophobicContact CG2-CG 4.24Å; I859-Q863 WeakPolarHBondContact O-CB 3.44Å; I859-Q863 WeakPolarHBondContact O-CG 3.49Å; I859-Q863 PolarHBondContact O-N 3Å; Q863-A867 VanDerWaalsContact O-CB 3.25Å; Q863-A867 WeakPolarHBondContact O-CB 3.28Å; Q863-A867 PolarHBondContact O-N 3.46Å; Q863-S894 PolarHBondContact OE1-OG 3.02Å; Q863-V895 HydrophobicContact CB-CG2 3.86Å; Q863-V895 HydrophobicContact CG-CG2 3.68Å; Q863-K898 HydrophobicContact CB-CD 4.2Å
864	M	85.6	Confident	87.7	Confident	102 Å²	102	60 Å²	60	50%	0.502	30%	0.3	S	S	.	.	H	α-helix	trans	-67.9	-40	175.4	-77.6	-178.6	70.7	0	0	112.1	R860 K861 L862 A867 A868 K898	R860-M864 WeakPolarHBondContact O-CB 3.33Å; R860-M864 VanDerWaalsContact O-CG 3.31Å; R860-M864 WeakPolarHBondContact O-CG 3.45Å; R860-M864 PolarHBondContact O-N 3.44Å; K861-M864 PolarHBondContact O-N 2.96Å; L862-M864 VanDerWaalsContact C-N 3.29Å; L862-M864 PolarHBondContact O-N 2.95Å; M864-A867 PolarHBondContact O-N 2.8Å; M864-A868 WeakPolarHBondContact O-CB 3.26Å; M864-A868 PolarHBondContact O-N 2.67Å; M864-K898 HydrophobicContact CG-CD 4.27Å
865	G	86.4	Confident	87.3	Confident	44 Å²	44	56.6 Å²	56.6	45%	0.454	29%	0.291	S	S	.	.	H	α-helix	trans	-64.4	-43.8	175.2	0	0	0	0	0	112.6	K861 L862 A867 A868 K869	K861-G865 PolarHBondContact O-N 3.43Å; L862-G865 PolarHBondContact O-N 3.12Å; G865-A867 VanDerWaalsContact C-N 3.35Å; G865-A868 PolarHBondContact O-N 3.47Å; G865-K869 PolarHBondContact O-N 3.37Å; G865-K869 VanDerWaalsContact O-N 3.1Å
866	Q	85.6	Confident	87	Confident	38 Å²	38	63.3 Å²	63.3	18%	0.178	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-42.4	173.9	-72.9	-174.8	-28	0	0	112	L862 K869 K870 E891 V895	L862-Q866 WeakPolarHBondContact O-CG 3.43Å; L862-Q866 PolarHBondContact O-N 3.18Å; Q866-K869 PolarHBondContact O-N 3.32Å; Q866-K870 WeakPolarHBondContact O-CB 3.47Å; Q866-K870 WeakPolarHBondContact O-CG 3.3Å; Q866-K870 PolarHBondContact O-N 3.4Å; Q866-K870 VanDerWaalsContact O-N 3.12Å; Q866-E891 PolarHBondContact NE2-OE1 3.49Å; Q866-E891 PolarHBondContact OE1-OE2 3.48Å; Q866-V895 HydrophobicContact CB-CG1 4.26Å
867	A	86.3	Confident	86.7	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.9	-47.8	176.8	0	0	0	0	0	111.2	Q863 M864 G865 K869 K870 T871 K898 V899 Q902	Q863-A867 VanDerWaalsContact O-CB 3.25Å; Q863-A867 WeakPolarHBondContact O-CB 3.28Å; Q863-A867 PolarHBondContact O-N 3.46Å; M864-A867 PolarHBondContact O-N 2.8Å; G865-A867 VanDerWaalsContact C-N 3.35Å; A867-K869 VanDerWaalsContact C-N 3.33Å; A867-K869 PolarHBondContact O-N 3.1Å; A867-K870 PolarHBondContact O-N 3.1Å; A867-K870 VanDerWaalsContact O-N 3.14Å; A867-T871 WeakPolarHBondContact O-CB 3.36Å; A867-T871 PolarHBondContact O-N 3.42Å; A867-T871 PolarHBondContact O-OG1 3.42Å; A867-T871 VanDerWaalsContact O-OG1 3.09Å; A867-K898 HydrophobicContact CB-CB 3.68Å; A867-V899 HydrophobicContact CB-CG2 3.76Å; A867-Q902 VanDerWaalsContact C-OE1 3.22Å
868	A	87	Confident	86.3	Confident	47 Å²	47	65 Å²	65	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-59.5	-42.2	-179.8	0	0	0	0	0	112.4	M864 G865 T871 Q872 Q902	M864-A868 WeakPolarHBondContact O-CB 3.26Å; M864-A868 PolarHBondContact O-N 2.67Å; G865-A868 PolarHBondContact O-N 3.47Å; A868-T871 PolarHBondContact O-N 3.37Å; A868-Q872 PolarHBondContact O-N 3.11Å; A868-Q902 VanDerWaalsContact N-OE1 3.1Å
869	K	86.7	Confident	85.1	Confident	142 Å²	142	68.7 Å²	68.7	62%	0.617	34%	0.341	S	S	*	.	H	α-helix	trans	-61.2	-47	175.7	-172.2	-178.2	176.6	-174.2	0	111.7	G865 Q866 A867 Q872 E873	G865-K869 PolarHBondContact O-N 3.37Å; G865-K869 VanDerWaalsContact O-N 3.1Å; Q866-K869 PolarHBondContact O-N 3.32Å; A867-K869 VanDerWaalsContact C-N 3.33Å; A867-K869 PolarHBondContact O-N 3.1Å; K869-Q872 PolarHBondContact O-N 2.94Å; K869-E873 WeakPolarHBondContact CE-OE1 3.35Å; K869-E873 WeakPolarHBondContact O-CG 3.38Å; K869-E873 PolarHBondContact O-N 3.27Å
870	K	87.4	Confident	84	Confident	24 Å²	24	78.2 Å²	78.2	10%	0.104	38%	0.382	C	S	.	.	H	α-helix	trans	-67.7	-36.4	179.6	-72.4	172.4	-172.7	-175.9	0	112.5	Q866 A867 E873 L874 V888 S889 E891 V895 V899	Q866-K870 WeakPolarHBondContact O-CB 3.47Å; Q866-K870 WeakPolarHBondContact O-CG 3.3Å; Q866-K870 PolarHBondContact O-N 3.4Å; Q866-K870 VanDerWaalsContact O-N 3.12Å; A867-K870 PolarHBondContact O-N 3.1Å; A867-K870 VanDerWaalsContact O-N 3.14Å; K870-E873 PolarHBondContact O-N 3.38Å; K870-L874 WeakPolarHBondContact O-CB 3.32Å; K870-L874 WeakPolarHBondContact O-CG 3.44Å; K870-L874 PolarHBondContact O-N 3.01Å; K870-V888 HydrophobicContact CB-CG2 3.97Å; K870-V888 HydrophobicContact CD-CG2 4.07Å; K870-V888 HydrophobicContact CG-CG2 4.07Å; K870-S889 VanDerWaalsContact CD-O 3.31Å; K870-S889 WeakPolarHBondContact CD-O 3.27Å; K870-S889 WeakPolarHBondContact CE-O 3.41Å; K870-S889 PolarHBondContact NZ-O 3.42Å; K870-E891 IonicContact NZ-OE1 2.78Å; K870-E891 IonicContact NZ-OE2 2.67Å; K870-E891 PolarHBondContact NZ-OE2 3.46Å; K870-V895 HydrophobicContact CD-CG1 4.49Å; K870-V899 HydrophobicContact CB-CG1 4.37Å; K870-V899 HydrophobicContact CB-CG2 3.84Å; K870-V899 HydrophobicContact CD-CG2 4.47Å
871	T	86.7	Confident	83.4	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-61.1	-46.6	172.4	-69	0	0	0	0	110.5	A867 A868 L874 L875 V899 Q902 L903	A867-T871 WeakPolarHBondContact O-CB 3.36Å; A867-T871 PolarHBondContact O-N 3.42Å; A867-T871 PolarHBondContact O-OG1 3.42Å; A867-T871 VanDerWaalsContact O-OG1 3.09Å; A868-T871 PolarHBondContact O-N 3.37Å; T871-L874 PolarHBondContact O-N 3.11Å; T871-L875 HydrophobicContact CG2-CD1 3.86Å; T871-L875 HydrophobicContact CG2-CG 4.41Å; T871-L875 WeakPolarHBondContact O-CG 3.39Å; T871-L875 PolarHBondContact O-N 3.43Å; T871-V899 PolarHBondContact OG1-O 2.96Å; T871-Q902 HydrophobicContact CG2-CB 4.02Å; T871-L903 HydrophobicContact CG2-CD2 3.81Å; T871-L903 HydrophobicContact CG2-CG 3.93Å
872	Q	85.8	Confident	83.2	Confident	93 Å²	93	68.8 Å²	68.8	44%	0.435	36%	0.361	S	S	.	.	H	α-helix	trans	-60.6	-47.1	176.7	-175.3	61.1	34.1	0	0	111.9	A868 K869 L874 L875 E876	A868-Q872 PolarHBondContact O-N 3.11Å; K869-Q872 PolarHBondContact O-N 2.94Å; Q872-L874 PolarHBondContact O-N 3.2Å; Q872-L875 PolarHBondContact O-N 3.32Å; Q872-E876 PolarHBondContact NE2-OE1 3.29Å; Q872-E876 WeakPolarHBondContact O-CG 3.48Å; Q872-E876 PolarHBondContact O-N 2.89Å
873	E	86.2	Confident	83.3	Confident	77 Å²	77	68.2 Å²	68.2	36%	0.36	36%	0.358	S	S	.	.	H	α-helix	trans	-59.4	-30.5	175.8	-71.5	169	-169.6	0	0	113.1	K869 K870 R877	K869-E873 WeakPolarHBondContact CE-OE1 3.35Å; K869-E873 WeakPolarHBondContact O-CG 3.38Å; K869-E873 PolarHBondContact O-N 3.27Å; K870-E873 PolarHBondContact O-N 3.38Å; E873-R877 WeakPolarHBondContact O-CG 3.46Å; E873-R877 PolarHBondContact O-NE 2.52Å
874	L	86.6	Confident	83.6	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-81.2	-37.6	176.8	-76.9	165.5	0	0	0	111.9	K870 T871 Q872 E876 R877 H878 D886 V888 V899 L903 L914	K870-L874 WeakPolarHBondContact O-CB 3.32Å; K870-L874 WeakPolarHBondContact O-CG 3.44Å; K870-L874 PolarHBondContact O-N 3.01Å; T871-L874 PolarHBondContact O-N 3.11Å; Q872-L874 PolarHBondContact O-N 3.2Å; L874-E876 VanDerWaalsContact C-N 3.27Å; L874-E876 PolarHBondContact O-N 2.92Å; L874-R877 PolarHBondContact O-N 3.31Å; L874-R877 VanDerWaalsContact O-N 3.15Å; L874-H878 PolarHBondContact O-CD2 3.28Å; L874-H878 VanDerWaalsContact O-CD2 3.26Å; L874-H878 PolarHBondContact O-N 3.2Å; L874-D886 HydrophobicContact CD2-CB 4.29Å; L874-D886 WeakPolarHBondContact CD2-OD2 3.45Å; L874-V888 HydrophobicContact CD1-CB 4.11Å; L874-V888 HydrophobicContact CD1-CG2 4.1Å; L874-V899 HydrophobicContact CD1-CG1 3.74Å; L874-L903 HydrophobicContact CB-CD1 4.25Å; L874-L903 HydrophobicContact CB-CD2 4.06Å; L874-L903 HydrophobicContact CD1-CD1 3.78Å; L874-L914 HydrophobicContact CD1-CD1 3.66Å; L874-L914 HydrophobicContact CD1-CD2 4.04Å; L874-L914 HydrophobicContact CD2-CD2 4.45Å
875	L	84.9	Confident	83.9	Confident	51 Å²	51	63.4 Å²	63.4	27%	0.267	34%	0.335	S	S	.	.	H	α-helix	trans	-65.9	-30.3	175.5	-71.4	167.9	0	0	0	112.7	T871 Q872 H878 L903 Q906	T871-L875 HydrophobicContact CG2-CD1 3.86Å; T871-L875 HydrophobicContact CG2-CG 4.41Å; T871-L875 WeakPolarHBondContact O-CG 3.39Å; T871-L875 PolarHBondContact O-N 3.43Å; Q872-L875 PolarHBondContact O-N 3.32Å; L875-H878 VanDerWaalsContact O-O 3.12Å; L875-L903 HydrophobicContact CD1-CD2 4.4Å; L875-L903 HydrophobicContact CD2-CD2 3.75Å; L875-L903 HydrophobicContact CG-CD2 3.66Å; L875-Q906 HydrophobicContact CD1-CB 4.3Å
876	E	84	Confident	84.2	Confident	143 Å²	143	62.4 Å²	62.4	67%	0.668	32%	0.319	S	S	*	.	H	α-helix	trans	-71.8	-31.5	172.5	-72.9	169.6	-165.4	0	0	112.4	Q872 L874	Q872-E876 PolarHBondContact NE2-OE1 3.29Å; Q872-E876 WeakPolarHBondContact O-CG 3.48Å; Q872-E876 PolarHBondContact O-N 2.89Å; L874-E876 VanDerWaalsContact C-N 3.27Å; L874-E876 PolarHBondContact O-N 2.92Å
877	R	83.9	Confident	84.5	Confident	126 Å²	126	62.8 Å²	62.8	48%	0.475	32%	0.324	S	S	.	.	H	α-helix	trans	-81.3	-30.3	179.9	-79.7	-174.5	-80.6	159.4	-16.7	113.9	E873 L874 D886 T887	E873-R877 WeakPolarHBondContact O-CG 3.46Å; E873-R877 PolarHBondContact O-NE 2.52Å; L874-R877 PolarHBondContact O-N 3.31Å; L874-R877 VanDerWaalsContact O-N 3.15Å; R877-D886 IonicContact CZ-OD2 2.9Å; R877-D886 IonicContact NH1-OD2 3.25Å; R877-D886 PolarHBondContact NH1-OD2 3.12Å; R877-T887 PolarHBondContact NH1-O 2.87Å
878	H	81.6	Confident	84.7	Confident	53 Å²	53	63 Å²	63	25%	0.245	33%	0.326	C	S	.	.	S	Bend	trans	-115	118.2	-174.5	-65.1	-79.3	0	0	0	110.6	L874 L875 I884 D886	L874-H878 PolarHBondContact O-CD2 3.28Å; L874-H878 VanDerWaalsContact O-CD2 3.26Å; L874-H878 PolarHBondContact O-N 3.2Å; L875-H878 VanDerWaalsContact O-O 3.12Å; H878-I884 HydrophobicContact CB-CD1 4.12Å; H878-I884 HydrophobicContact CB-CG1 4.21Å; H878-D886 IonicContact CD2-OD2 2.68Å; H878-D886 IonicContact CE1-OD2 3.68Å; H878-D886 IonicContact NE2-OD2 3.08Å; H878-D886 PolarHBondContact NE2-OD2 3.14Å
879	S	63.4	Low	84.7	Confident	114 Å²	114	65.2 Å²	65.2	80%	0.797	34%	0.338	S	S	*	.			trans	-72.2	154.6	169.3	51.3	0	0	0	0	110.8	G881	S879-G881 PolarHBondContact O-N 3.38Å
880	K	65.4	Low	84.6	Confident	210 Å²	210	58.5 Å²	58.5	91%	0.913	31%	0.309	S	S	*	.	S	Bend	trans	-53.5	105.8	-176.9	-71.5	-175.5	178.1	-178.1	0	111.4
881	G	74.9	Confident	84.4	Confident	27 Å²	27	62 Å²	62	28%	0.278	33%	0.326	S	S	.	.			trans	-137.2	167.1	174.6	0	0	0	0	0	111.7	S879 L883 T910	S879-G881 PolarHBondContact O-N 3.38Å; G881-L883 PolarHBondContact O-N 2.92Å; G881-T910 WeakPolarHBondContact O-CB 3.43Å; G881-T910 VanDerWaalsContact O-CG2 3.24Å; G881-T910 WeakPolarHBondContact O-CG2 3.4Å; G881-T910 PolarHBondContact O-OG1 3.43Å
882	P	83.8	Confident	84.3	Confident	89 Å²	89	63.2 Å²	63.2	58%	0.578	34%	0.335	S	S	*	.	S	Bend	trans	-71.9	-12.8	-175.2	29.5	-35.4	0	0	0	113.7	S911	P882-S911 PolarHBondContact O-N 3Å
883	L	90.5	Very high	84.4	Confident	38 Å²	38	60.2 Å²	60.2	20%	0.199	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	131.4	-171.5	-176.8	66.5	0	0	0	111.6	G881 V885 S911 W942 A981 L982 L985	G881-L883 PolarHBondContact O-N 2.92Å; L883-V885 HydrophobicContact CD1-CG2 4.04Å; L883-V885 HydrophobicContact CD2-CG2 4.25Å; L883-V885 HydrophobicContact CG-CG2 4.03Å; L883-S911 CarbonylContact C-O 3.57Å; L883-S911 WeakPolarHBondContact CA-O 3.28Å; L883-W942 HydrophobicContact CD1-CH2 3.46Å; L883-W942 VanDerWaalsContact CD1-CH2 3.46Å; L883-W942 HydrophobicContact CD1-CZ2 3.61Å; L883-A981 HydrophobicContact CD1-CB 3.53Å; L883-A981 HydrophobicContact CD2-CB 3.56Å; L883-A981 HydrophobicContact CG-CB 4.2Å; L883-L982 HydrophobicContact CD2-CG 4.47Å; L883-L985 HydrophobicContact CB-CD1 3.96Å; L883-L985 HydrophobicContact CD1-CD1 4.08Å; L883-L985 HydrophobicContact CD2-CD1 4.33Å; L883-L985 HydrophobicContact CG-CD1 4.35Å
884	I	92.2	Very high	84.4	Confident	10 Å²	10	59.1 Å²	59.1	5%	0.051	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.5	168.1	-64.9	171.1	0	0	0	108.3	H878 T910 S911 V912 L913 L914	H878-I884 HydrophobicContact CB-CD1 4.12Å; H878-I884 HydrophobicContact CB-CG1 4.21Å; I884-T910 HydrophobicContact CB-CG2 4.36Å; I884-T910 HydrophobicContact CD1-CG2 3.74Å; I884-T910 HydrophobicContact CG1-CG2 3.68Å; I884-S911 PolarHBondContact N-O 3.33Å; I884-V912 HydrophobicContact CB-CG1 4.34Å; I884-V912 HydrophobicContact CB-CG2 4.2Å; I884-V912 HydrophobicContact CD1-CG2 4.31Å; I884-V912 HydrophobicContact CG2-CG1 4.32Å; I884-V912 CarbonylContact O-C 3.6Å; I884-V912 WeakPolarHBondContact O-CA 3.26Å; I884-L913 PolarHBondContact O-N 2.94Å; I884-L914 HydrophobicContact CG2-CD2 4.44Å
885	V	92.9	Very high	84.4	Confident	6 Å²	6	59.1 Å²	59.1	4%	0.036	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	107	171.4	-179.9	0	0	0	0	108.5	L883 L913 W942 L974 A977 R978	L883-V885 HydrophobicContact CD1-CG2 4.04Å; L883-V885 HydrophobicContact CD2-CG2 4.25Å; L883-V885 HydrophobicContact CG-CG2 4.03Å; V885-L913 WeakPolarHBondContact CA-O 3.43Å; V885-L913 HydrophobicContact CG1-CD2 4.33Å; V885-L913 HydrophobicContact CG2-CB 4.46Å; V885-W942 HydrophobicContact CG2-CH2 4.19Å; V885-W942 HydrophobicContact CG2-CZ2 3.59Å; V885-L974 HydrophobicContact CG1-CB 4.41Å; V885-L974 HydrophobicContact CG1-CD2 3.81Å; V885-A977 HydrophobicContact CG1-CB 3.6Å; V885-A977 HydrophobicContact CG2-CB 4.47Å; V885-R978 HydrophobicContact CB-CG 3.66Å; V885-R978 HydrophobicContact CG1-CG 3.87Å; V885-R978 HydrophobicContact CG2-CG 3.92Å; V885-R978 PolarHBondContact O-NH2 3.27Å
886	D	92.6	Very high	84.7	Confident	22 Å²	22	56.7 Å²	56.7	12%	0.118	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	172.7	-173.2	-159.4	5.3	0	0	0	112.4	L874 R877 H878 L913 L914 L915	L874-D886 HydrophobicContact CD2-CB 4.29Å; L874-D886 WeakPolarHBondContact CD2-OD2 3.45Å; R877-D886 IonicContact CZ-OD2 2.9Å; R877-D886 IonicContact NH1-OD2 3.25Å; R877-D886 PolarHBondContact NH1-OD2 3.12Å; H878-D886 IonicContact CD2-OD2 2.68Å; H878-D886 IonicContact CE1-OD2 3.68Å; H878-D886 IonicContact NE2-OD2 3.08Å; H878-D886 PolarHBondContact NE2-OD2 3.14Å; D886-L913 PolarHBondContact N-O 3.41Å; D886-L914 HydrophobicContact CB-CD2 4.13Å; D886-L914 WeakPolarHBondContact O-CA 3.4Å; D886-L915 PolarHBondContact O-N 3.13Å
887	T	91.4	Very high	85.1	Confident	46 Å²	46	50.8 Å²	50.8	28%	0.282	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	141.2	170.9	59.9	0	0	0	0	111.5	R877 L915 L970 L974	R877-T887 PolarHBondContact NH1-O 2.87Å; T887-L915 CarbonylContact C-O 3.55Å; T887-L915 WeakPolarHBondContact CA-O 3.46Å; T887-L915 HydrophobicContact CG2-CB 4.32Å; T887-L970 HydrophobicContact CG2-CD2 4.33Å; T887-L974 HydrophobicContact CG2-CD1 3.74Å; T887-L974 HydrophobicContact CG2-CD2 4.07Å; T887-L974 HydrophobicContact CG2-CG 4.28Å
888	V	90.5	Very high	85.4	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.03	27%	0.269	C	S	.	.			trans	-139.5	132.6	170.7	70	0	0	0	0	108.9	K870 L874 A890 L896 L914 L915 S916	K870-V888 HydrophobicContact CB-CG2 3.97Å; K870-V888 HydrophobicContact CD-CG2 4.07Å; K870-V888 HydrophobicContact CG-CG2 4.07Å; L874-V888 HydrophobicContact CD1-CB 4.11Å; L874-V888 HydrophobicContact CD1-CG2 4.1Å; V888-A890 PolarHBondContact O-N 3.16Å; V888-A890 VanDerWaalsContact O-N 3.11Å; V888-L896 HydrophobicContact CG1-CD1 3.29Å; V888-L914 HydrophobicContact CG1-CB 4.12Å; V888-L914 HydrophobicContact CG1-CD1 3.93Å; V888-L915 PolarHBondContact N-O 2.89Å; V888-S916 WeakPolarHBondContact O-CA 3.32Å; V888-S916 WeakPolarHBondContact O-CB 3.41Å; V888-S916 PolarHBondContact O-OG 3.38Å
889	S	87.3	Confident	85.9	Confident	93 Å²	93	44.2 Å²	44.2	65%	0.65	26%	0.257	S	S	*	.			trans	-69.2	111.1	170.9	-177.7	0	0	0	0	108.2	K870	K870-S889 VanDerWaalsContact CD-O 3.31Å; K870-S889 WeakPolarHBondContact CD-O 3.27Å; K870-S889 WeakPolarHBondContact CE-O 3.41Å; K870-S889 PolarHBondContact NZ-O 3.42Å
890	A	85.5	Confident	87.2	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.008	22%	0.22	C	C	.	.			trans	-125.5	129.8	175.8	0	0	0	0	0	110.3	V888 S892 V895 L896 S916 Q918	V888-A890 PolarHBondContact O-N 3.16Å; V888-A890 VanDerWaalsContact O-N 3.11Å; A890-S892 PolarHBondContact O-N 2.78Å; A890-V895 HydrophobicContact CB-CG1 4.35Å; A890-L896 HydrophobicContact CB-CB 3.93Å; A890-L896 HydrophobicContact CB-CD1 4Å; A890-S916 WeakPolarHBondContact CA-OG 3.34Å; A890-S916 PolarHBondContact N-OG 3.35Å; A890-S916 PolarHBondContact O-OG 3.45Å; A890-Q918 PolarHBondContact O-NE2 3.01Å
891	E	82.1	Confident	88.5	Confident	97 Å²	97	34.8 Å²	34.8	45%	0.453	20%	0.199	S	C	.	.	S	Bend	trans	-72.5	-15.1	-174.7	-58.3	94.6	154.1	0	0	113.3	Q866 K870	Q866-E891 PolarHBondContact NE2-OE1 3.49Å; Q866-E891 PolarHBondContact OE1-OE2 3.48Å; K870-E891 IonicContact NZ-OE1 2.78Å; K870-E891 IonicContact NZ-OE2 2.67Å; K870-E891 PolarHBondContact NZ-OE2 3.46Å
892	S	84.8	Confident	89.2	Confident	26 Å²	26	35 Å²	35	18%	0.182	19%	0.193	C	C	.	.	S	Bend	trans	-156.9	160.4	176.5	66.9	0	0	0	0	111.6	A890 S894 V895 L896	A890-S892 PolarHBondContact O-N 2.78Å; S892-S894 PolarHBondContact O-N 3.3Å; S892-V895 PolarHBondContact O-N 2.84Å; S892-V895 VanDerWaalsContact O-N 3.15Å; S892-V895 WeakPolarHBondContact OG-CG2 3.38Å; S892-V895 PolarHBondContact OG-N 2.94Å; S892-L896 PolarHBondContact O-N 3.05Å; S892-L896 VanDerWaalsContact O-N 3.07Å
893	L	87.1	Confident	89.4	Confident	30 Å²	30	30.9 Å²	30.9	16%	0.157	17%	0.166	C	C	.	.	H	α-helix	trans	-60.7	-35.5	177.3	-168.8	66.3	0	0	0	111.2	V895 L896 V897 L924 C925 W955 Q962	L893-V895 PolarHBondContact O-N 3.2Å; L893-L896 HydrophobicContact CD1-CD2 4.45Å; L893-L896 PolarHBondContact O-N 3.15Å; L893-V897 WeakPolarHBondContact O-CG2 3.25Å; L893-V897 PolarHBondContact O-N 2.94Å; L893-L924 HydrophobicContact CB-CD1 4.36Å; L893-L924 HydrophobicContact CD1-CB 3.95Å; L893-L924 HydrophobicContact CD1-CD2 4.48Å; L893-C925 WeakPolarHBondContact CD1-O 3.45Å; L893-W955 HydrophobicContact CD2-CH2 4.38Å; L893-W955 HydrophobicContact CD2-CZ2 3.9Å; L893-Q962 HydrophobicContact CD1-CB 4.15Å; L893-Q962 HydrophobicContact CD2-CB 4.16Å; L893-Q962 HydrophobicContact CD2-CG 4.02Å; L893-Q962 HydrophobicContact CG-CB 4.26Å
894	S	86.8	Confident	89.4	Confident	54 Å²	54	29.4 Å²	29.4	38%	0.378	16%	0.158	S	C	.	.	H	α-helix	trans	-63.5	-39.9	176.9	-173.6	0	0	0	0	112.8	Q863 S892 K898	Q863-S894 PolarHBondContact OE1-OG 3.02Å; S892-S894 PolarHBondContact O-N 3.3Å; S894-K898 VanDerWaalsContact O-CG 3.3Å; S894-K898 WeakPolarHBondContact O-CG 3.34Å; S894-K898 PolarHBondContact O-N 3.36Å
895	V	87.4	Confident	89.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.3	-45.6	174.1	174.7	0	0	0	0	109.7	Q863 Q866 K870 A890 S892 L893 V897 K898 V899	Q863-V895 HydrophobicContact CB-CG2 3.86Å; Q863-V895 HydrophobicContact CG-CG2 3.68Å; Q866-V895 HydrophobicContact CB-CG1 4.26Å; K870-V895 HydrophobicContact CD-CG1 4.49Å; A890-V895 HydrophobicContact CB-CG1 4.35Å; S892-V895 PolarHBondContact O-N 2.84Å; S892-V895 VanDerWaalsContact O-N 3.15Å; S892-V895 WeakPolarHBondContact OG-CG2 3.38Å; S892-V895 PolarHBondContact OG-N 2.94Å; L893-V895 PolarHBondContact O-N 3.2Å; V895-V897 PolarHBondContact O-N 3.23Å; V895-K898 WeakPolarHBondContact O-CB 3.4Å; V895-K898 PolarHBondContact O-N 3.44Å; V895-K898 VanDerWaalsContact O-N 3.11Å; V895-V899 HydrophobicContact CG1-CG2 4.38Å; V895-V899 WeakPolarHBondContact O-CG2 3.36Å; V895-V899 PolarHBondContact O-N 2.83Å
896	L	91.4	Very high	88.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-46.2	-179.7	-170.8	63.2	0	0	0	112.4	V888 A890 S892 L893 K898 V899 V900 L914 L924 A926	V888-L896 HydrophobicContact CG1-CD1 3.29Å; A890-L896 HydrophobicContact CB-CB 3.93Å; A890-L896 HydrophobicContact CB-CD1 4Å; S892-L896 PolarHBondContact O-N 3.05Å; S892-L896 VanDerWaalsContact O-N 3.07Å; L893-L896 HydrophobicContact CD1-CD2 4.45Å; L893-L896 PolarHBondContact O-N 3.15Å; L896-K898 VanDerWaalsContact C-N 3.31Å; L896-K898 PolarHBondContact O-N 2.86Å; L896-V899 WeakPolarHBondContact O-CB 3.23Å; L896-V899 PolarHBondContact O-N 2.89Å; L896-V900 WeakPolarHBondContact O-CG2 3.47Å; L896-V900 PolarHBondContact O-N 2.65Å; L896-L914 HydrophobicContact CD1-CB 3.67Å; L896-L914 HydrophobicContact CD1-CD1 4.37Å; L896-L914 HydrophobicContact CG-CB 4.47Å; L896-L924 HydrophobicContact CD2-CB 3.78Å; L896-L924 WeakPolarHBondContact CD2-O 3.48Å; L896-A926 HydrophobicContact CB-CB 4.38Å; L896-A926 HydrophobicContact CD2-CB 4Å; L896-A926 HydrophobicContact CG-CB 3.77Å
897	V	91.3	Very high	88.6	Confident	19 Å²	19	40.7 Å²	40.7	12%	0.115	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-38.5	175.6	171.9	0	0	0	0	111.8	L893 V895 V900 R901 A926 V960 Q962	L893-V897 WeakPolarHBondContact O-CG2 3.25Å; L893-V897 PolarHBondContact O-N 2.94Å; V895-V897 PolarHBondContact O-N 3.23Å; V897-V900 PolarHBondContact O-N 3.39Å; V897-R901 WeakPolarHBondContact O-CG 3.43Å; V897-R901 PolarHBondContact O-N 3.08Å; V897-A926 HydrophobicContact CB-CB 4.41Å; V897-A926 HydrophobicContact CG2-CB 3.66Å; V897-V960 HydrophobicContact CG1-CG1 4.36Å; V897-Q962 HydrophobicContact CG2-CB 3.91Å; V897-Q962 VanDerWaalsContact CG2-OE1 3.3Å
898	K	90.8	Very high	88.3	Confident	41 Å²	41	43 Å²	43	18%	0.178	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-40.8	176.1	-75	170.6	178.2	176.4	0	111.9	Q863 M864 A867 S894 V895 L896 R901 Q902	Q863-K898 HydrophobicContact CB-CD 4.2Å; M864-K898 HydrophobicContact CG-CD 4.27Å; A867-K898 HydrophobicContact CB-CB 3.68Å; S894-K898 VanDerWaalsContact O-CG 3.3Å; S894-K898 WeakPolarHBondContact O-CG 3.34Å; S894-K898 PolarHBondContact O-N 3.36Å; V895-K898 WeakPolarHBondContact O-CB 3.4Å; V895-K898 PolarHBondContact O-N 3.44Å; V895-K898 VanDerWaalsContact O-N 3.11Å; L896-K898 VanDerWaalsContact C-N 3.31Å; L896-K898 PolarHBondContact O-N 2.86Å; K898-R901 PolarHBondContact O-N 3.47Å; K898-Q902 WeakPolarHBondContact O-CB 3.49Å; K898-Q902 WeakPolarHBondContact O-CG 3.37Å; K898-Q902 PolarHBondContact O-N 2.85Å
899	V	91.4	Very high	88.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-49.4	175.2	176.1	0	0	0	0	110.3	A867 K870 T871 L874 V895 L896 R901 Q902 L903 L914	A867-V899 HydrophobicContact CB-CG2 3.76Å; K870-V899 HydrophobicContact CB-CG1 4.37Å; K870-V899 HydrophobicContact CB-CG2 3.84Å; K870-V899 HydrophobicContact CD-CG2 4.47Å; T871-V899 PolarHBondContact OG1-O 2.96Å; L874-V899 HydrophobicContact CD1-CG1 3.74Å; V895-V899 HydrophobicContact CG1-CG2 4.38Å; V895-V899 WeakPolarHBondContact O-CG2 3.36Å; V895-V899 PolarHBondContact O-N 2.83Å; L896-V899 WeakPolarHBondContact O-CB 3.23Å; L896-V899 PolarHBondContact O-N 2.89Å; V899-R901 PolarHBondContact O-N 3.02Å; V899-Q902 PolarHBondContact O-N 2.86Å; V899-L903 HydrophobicContact CG1-CD1 3.95Å; V899-L903 HydrophobicContact CG1-CG 4.5Å; V899-L903 WeakPolarHBondContact O-CB 3.44Å; V899-L903 WeakPolarHBondContact O-CG 3.48Å; V899-L903 PolarHBondContact O-N 3.13Å; V899-L914 HydrophobicContact CB-CD1 4.24Å; V899-L914 HydrophobicContact CG1-CD1 3.53Å
900	V	92.3	Very high	88.2	Confident	1 Å²	1	43 Å²	43	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-48.2	177.7	168.5	0	0	0	0	111.3	L896 V897 L903 C904 V912 L914 A926 Q928	L896-V900 WeakPolarHBondContact O-CG2 3.47Å; L896-V900 PolarHBondContact O-N 2.65Å; V897-V900 PolarHBondContact O-N 3.39Å; V900-L903 PolarHBondContact O-N 3.3Å; V900-C904 PolarHBondContact O-N 2.81Å; V900-C904 PolarHBondContact O-SG 3.16Å; V900-V912 HydrophobicContact CG1-CB 4.3Å; V900-V912 HydrophobicContact CG1-CG1 4.35Å; V900-V912 HydrophobicContact CG2-CG1 4.22Å; V900-L914 HydrophobicContact CG2-CB 4.05Å; V900-L914 HydrophobicContact CG2-CD1 3.73Å; V900-L914 HydrophobicContact CG2-CG 3.84Å; V900-A926 HydrophobicContact CG2-CB 3.89Å; V900-Q928 HydrophobicContact CG1-CB 3.49Å; V900-Q928 VanDerWaalsContact CG1-CB 3.49Å
901	R	91.1	Very high	88.6	Confident	125 Å²	125	43 Å²	43	47%	0.472	23%	0.229	S	C	.	.	H	α-helix	trans	-60.5	-47.7	178.1	-78.2	179.7	176.6	-163.8	-0.3	112.4	V897 K898 V899 L903 C904 E905 Q928	V897-R901 WeakPolarHBondContact O-CG 3.43Å; V897-R901 PolarHBondContact O-N 3.08Å; K898-R901 PolarHBondContact O-N 3.47Å; V899-R901 PolarHBondContact O-N 3.02Å; R901-L903 VanDerWaalsContact C-N 3.3Å; R901-L903 PolarHBondContact O-N 2.81Å; R901-C904 PolarHBondContact O-N 3.07Å; R901-E905 WeakPolarHBondContact O-CG 3.45Å; R901-E905 PolarHBondContact O-N 3.05Å; R901-Q928 VanDerWaalsContact CG-OE1 3.31Å
902	Q	90.1	Very high	89.2	Confident	33 Å²	33	38.4 Å²	38.4	15%	0.154	21%	0.207	C	C	.	.	H	α-helix	trans	-64.3	-35.3	179.7	-74.2	178.6	-22.5	0	0	112.2	A867 A868 T871 K898 V899 E905 Q906	A867-Q902 VanDerWaalsContact C-OE1 3.22Å; A868-Q902 VanDerWaalsContact N-OE1 3.1Å; T871-Q902 HydrophobicContact CG2-CB 4.02Å; K898-Q902 WeakPolarHBondContact O-CB 3.49Å; K898-Q902 WeakPolarHBondContact O-CG 3.37Å; K898-Q902 PolarHBondContact O-N 2.85Å; V899-Q902 PolarHBondContact O-N 2.86Å; Q902-E905 PolarHBondContact O-N 3.4Å; Q902-Q906 WeakPolarHBondContact O-CG 3.37Å; Q902-Q906 PolarHBondContact O-N 3.38Å; Q902-Q906 VanDerWaalsContact O-N 3.12Å
903	L	88.9	Confident	89.7	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-47.3	172.4	-76.9	166.6	0	0	0	111.4	T871 L874 L875 V899 V900 R901 E905 Q906 A907 V912 L914	T871-L903 HydrophobicContact CG2-CD2 3.81Å; T871-L903 HydrophobicContact CG2-CG 3.93Å; L874-L903 HydrophobicContact CB-CD1 4.25Å; L874-L903 HydrophobicContact CB-CD2 4.06Å; L874-L903 HydrophobicContact CD1-CD1 3.78Å; L875-L903 HydrophobicContact CD1-CD2 4.4Å; L875-L903 HydrophobicContact CD2-CD2 3.75Å; L875-L903 HydrophobicContact CG-CD2 3.66Å; V899-L903 HydrophobicContact CG1-CD1 3.95Å; V899-L903 HydrophobicContact CG1-CG 4.5Å; V899-L903 WeakPolarHBondContact O-CB 3.44Å; V899-L903 WeakPolarHBondContact O-CG 3.48Å; V899-L903 PolarHBondContact O-N 3.13Å; V900-L903 PolarHBondContact O-N 3.3Å; R901-L903 VanDerWaalsContact C-N 3.3Å; R901-L903 PolarHBondContact O-N 2.81Å; L903-E905 VanDerWaalsContact C-N 3.32Å; L903-E905 PolarHBondContact O-N 3.14Å; L903-Q906 PolarHBondContact O-N 3.21Å; L903-A907 PolarHBondContact O-N 2.77Å; L903-V912 HydrophobicContact CB-CG1 4.47Å; L903-V912 HydrophobicContact CB-CG2 4.11Å; L903-V912 HydrophobicContact CD1-CG1 3.89Å; L903-L914 HydrophobicContact CD1-CD1 3.85Å
904	C	89.1	Confident	90.2	Very high	7 Å²	7	35.7 Å²	35.7	5%	0.047	19%	0.191	C	C	.	.	H	α-helix	trans	-67.5	-29.7	177.3	-69.2	0	0	0	0	113.1	V900 R901 A907 P908 V912 Q928	V900-C904 PolarHBondContact O-N 2.81Å; V900-C904 PolarHBondContact O-SG 3.16Å; R901-C904 PolarHBondContact O-N 3.07Å; C904-A907 CarbonylContact O-C 3.57Å; C904-P908 WeakPolarHBondContact O-CA 3.42Å; C904-P908 VanDerWaalsContact O-N 3.15Å; C904-V912 VanDerWaalsContact SG-CG2 3.5Å; C904-Q928 HydrophobicContact CB-CG 4.08Å; C904-Q928 VanDerWaalsContact CB-NE2 3.3Å
905	E	88.4	Confident	90.6	Very high	141 Å²	141	33.1 Å²	33.1	66%	0.659	17%	0.173	S	C	*	.	H	α-helix	trans	-66.1	-39	172.2	-76.4	169.3	-174.7	0	0	111.7	R901 Q902 L903	R901-E905 WeakPolarHBondContact O-CG 3.45Å; R901-E905 PolarHBondContact O-N 3.05Å; Q902-E905 PolarHBondContact O-N 3.4Å; L903-E905 VanDerWaalsContact C-N 3.32Å; L903-E905 PolarHBondContact O-N 3.14Å
906	Q	86.2	Confident	90.9	Very high	117 Å²	117	33.1 Å²	33.1	55%	0.547	17%	0.173	S	C	.	.	H	α-helix	trans	-82.5	-22.3	178.7	-65.7	-175.2	48.2	0	0	113.1	L875 Q902 L903	L875-Q906 HydrophobicContact CD1-CB 4.3Å; Q902-Q906 WeakPolarHBondContact O-CG 3.37Å; Q902-Q906 PolarHBondContact O-N 3.38Å; Q902-Q906 VanDerWaalsContact O-N 3.12Å; L903-Q906 PolarHBondContact O-N 3.21Å
907	A	86.9	Confident	90.9	Very high	17 Å²	17	35.9 Å²	35.9	14%	0.14	19%	0.19	C	C	.	.			trans	-132.6	77.4	174.6	0	0	0	0	0	111.4	L903 C904 S909 T910	L903-A907 PolarHBondContact O-N 2.77Å; C904-A907 CarbonylContact O-C 3.57Å; A907-S909 PolarHBondContact O-N 2.9Å; A907-S909 VanDerWaalsContact O-N 3.12Å; A907-T910 WeakPolarHBondContact O-CB 3.3Å; A907-T910 PolarHBondContact O-N 3.41Å
908	P	85.3	Confident	90.8	Very high	95 Å²	95	38 Å²	38	62%	0.617	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.7	-172.6	-25.5	35.5	0	0	0	115.4	C904 T910	C904-P908 WeakPolarHBondContact O-CA 3.42Å; C904-P908 VanDerWaalsContact O-N 3.15Å; P908-T910 VanDerWaalsContact C-N 3.32Å
909	S	86.8	Confident	90.4	Very high	94 Å²	94	40.6 Å²	40.6	66%	0.657	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	2.4	178.3	55.9	0	0	0	0	113.7	A907	A907-S909 PolarHBondContact O-N 2.9Å; A907-S909 VanDerWaalsContact O-N 3.12Å
910	T	89.4	Confident	89.9	Confident	4 Å²	4	48.7 Å²	48.7	3%	0.025	26%	0.262	C	S	.	.			trans	-112.5	127	-172.4	-58.3	0	0	0	0	111	G881 I884 A907 P908 V912	G881-T910 WeakPolarHBondContact O-CB 3.43Å; G881-T910 VanDerWaalsContact O-CG2 3.24Å; G881-T910 WeakPolarHBondContact O-CG2 3.4Å; G881-T910 PolarHBondContact O-OG1 3.43Å; I884-T910 HydrophobicContact CB-CG2 4.36Å; I884-T910 HydrophobicContact CD1-CG2 3.74Å; I884-T910 HydrophobicContact CG1-CG2 3.68Å; A907-T910 WeakPolarHBondContact O-CB 3.3Å; A907-T910 PolarHBondContact O-N 3.41Å; P908-T910 VanDerWaalsContact C-N 3.32Å; T910-V912 HydrophobicContact CG2-CG2 4.13Å
911	S	93.4	Very high	89.5	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.007	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	132	170.7	-57.7	0	0	0	0	109.6	P882 L883 I884 Q928 A930	P882-S911 PolarHBondContact O-N 3Å; L883-S911 CarbonylContact C-O 3.57Å; L883-S911 WeakPolarHBondContact CA-O 3.28Å; I884-S911 PolarHBondContact N-O 3.33Å; S911-Q928 CarbonylContact C-O 3.55Å; S911-Q928 WeakPolarHBondContact CA-O 3.35Å; S911-A930 PolarHBondContact OG-N 3.21Å
912	V	94.7	Very high	89.4	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.6	-171	-178.9	0	0	0	0	109.9	I884 V900 L903 C904 T910 L914 C927 Q928 W942	I884-V912 HydrophobicContact CB-CG1 4.34Å; I884-V912 HydrophobicContact CB-CG2 4.2Å; I884-V912 HydrophobicContact CD1-CG2 4.31Å; I884-V912 HydrophobicContact CG2-CG1 4.32Å; I884-V912 CarbonylContact O-C 3.6Å; I884-V912 WeakPolarHBondContact O-CA 3.26Å; V900-V912 HydrophobicContact CG1-CB 4.3Å; V900-V912 HydrophobicContact CG1-CG1 4.35Å; V900-V912 HydrophobicContact CG2-CG1 4.22Å; L903-V912 HydrophobicContact CB-CG1 4.47Å; L903-V912 HydrophobicContact CB-CG2 4.11Å; L903-V912 HydrophobicContact CD1-CG1 3.89Å; C904-V912 VanDerWaalsContact SG-CG2 3.5Å; T910-V912 HydrophobicContact CG2-CG2 4.13Å; V912-L914 HydrophobicContact CG1-CD1 4.36Å; V912-L914 HydrophobicContact CG1-CD2 4.24Å; V912-L914 HydrophobicContact CG1-CG 3.92Å; V912-C927 CarbonylContact O-C 3.37Å; V912-C927 WeakPolarHBondContact O-CA 3.3Å; V912-C927 WeakPolarHBondContact O-CB 3.36Å; V912-Q928 PolarHBondContact N-O 3.27Å; V912-Q928 PolarHBondContact O-N 2.83Å; V912-W942 WeakPolarHBondContact O-CZ3 3.47Å
913	L	96	Very high	89.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.5	165	-176.8	151.1	0	0	0	109.5	I884 V885 D886 L915 A926 C927 W942 V946 A977	I884-L913 PolarHBondContact O-N 2.94Å; V885-L913 WeakPolarHBondContact CA-O 3.43Å; V885-L913 HydrophobicContact CG1-CD2 4.33Å; V885-L913 HydrophobicContact CG2-CB 4.46Å; D886-L913 PolarHBondContact N-O 3.41Å; L913-L915 HydrophobicContact CD2-CD2 3.92Å; L913-L915 HydrophobicContact CD2-CG 3.98Å; L913-A926 WeakPolarHBondContact CA-O 3.47Å; L913-C927 HydrophobicContact CB-CB 3.67Å; L913-C927 HydrophobicContact CD1-CB 3.88Å; L913-C927 HydrophobicContact CG-CB 3.79Å; L913-W942 HydrophobicContact CB-CD2 4.14Å; L913-W942 HydrophobicContact CB-CE3 4.1Å; L913-W942 HydrophobicContact CB-CH2 3.36Å; L913-W942 HydrophobicContact CB-CZ2 3.39Å; L913-W942 HydrophobicContact CB-CZ3 3.73Å; L913-W942 HydrophobicContact CD1-CD2 3.7Å; L913-W942 HydrophobicContact CD1-CE3 4.29Å; L913-W942 HydrophobicContact CD1-CG 3.96Å; L913-W942 HydrophobicContact CD1-CZ2 4.12Å; L913-W942 HydrophobicContact CG-CZ2 4.37Å; L913-V946 HydrophobicContact CD1-CB 4.34Å; L913-V946 HydrophobicContact CD1-CG2 3.81Å; L913-A977 HydrophobicContact CD1-CB 4.21Å; L913-A977 HydrophobicContact CD2-CB 3.9Å
914	L	96.1	Very high	89.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136	178.4	-60.8	179	0	0	0	110.8	L874 I884 D886 V888 L896 V899 V900 L903 V912 C925 A926	L874-L914 HydrophobicContact CD1-CD1 3.66Å; L874-L914 HydrophobicContact CD1-CD2 4.04Å; L874-L914 HydrophobicContact CD2-CD2 4.45Å; I884-L914 HydrophobicContact CG2-CD2 4.44Å; D886-L914 HydrophobicContact CB-CD2 4.13Å; D886-L914 WeakPolarHBondContact O-CA 3.4Å; V888-L914 HydrophobicContact CG1-CB 4.12Å; V888-L914 HydrophobicContact CG1-CD1 3.93Å; L896-L914 HydrophobicContact CD1-CB 3.67Å; L896-L914 HydrophobicContact CD1-CD1 4.37Å; L896-L914 HydrophobicContact CG-CB 4.47Å; V899-L914 HydrophobicContact CB-CD1 4.24Å; V899-L914 HydrophobicContact CG1-CD1 3.53Å; V900-L914 HydrophobicContact CG2-CB 4.05Å; V900-L914 HydrophobicContact CG2-CD1 3.73Å; V900-L914 HydrophobicContact CG2-CG 3.84Å; L903-L914 HydrophobicContact CD1-CD1 3.85Å; V912-L914 HydrophobicContact CG1-CD1 4.36Å; V912-L914 HydrophobicContact CG1-CD2 4.24Å; V912-L914 HydrophobicContact CG1-CG 3.92Å; L914-C925 WeakPolarHBondContact O-CA 3.48Å; L914-A926 PolarHBondContact N-O 3.1Å; L914-A926 PolarHBondContact O-N 3.02Å
915	L	95.6	Very high	90.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.5	169.9	-61.5	-175.3	0	0	0	110.1	D886 T887 V888 L913 V923 L924 C925 V946 M950 A973 L974	D886-L915 PolarHBondContact O-N 3.13Å; T887-L915 CarbonylContact C-O 3.55Å; T887-L915 WeakPolarHBondContact CA-O 3.46Å; T887-L915 HydrophobicContact CG2-CB 4.32Å; V888-L915 PolarHBondContact N-O 2.89Å; L913-L915 HydrophobicContact CD2-CD2 3.92Å; L913-L915 HydrophobicContact CD2-CG 3.98Å; L915-V923 HydrophobicContact CB-CG1 3.95Å; L915-V923 HydrophobicContact CD2-CG1 4.23Å; L915-V923 HydrophobicContact CG-CG1 4.48Å; L915-L924 CarbonylContact C-O 3.32Å; L915-L924 WeakPolarHBondContact CA-O 3.4Å; L915-C925 HydrophobicContact CD2-CB 3.67Å; L915-V946 HydrophobicContact CD1-CG1 4.43Å; L915-V946 HydrophobicContact CD2-CG1 4.08Å; L915-M950 HydrophobicContact CD1-SD 4.36Å; L915-M950 HydrophobicContact CD2-CE 4.08Å; L915-M950 HydrophobicContact CD2-SD 4.49Å; L915-A973 HydrophobicContact CD1-CB 3.78Å; L915-L974 HydrophobicContact CB-CD2 4.47Å; L915-L974 HydrophobicContact CD1-CD2 3.84Å; L915-L974 HydrophobicContact CD1-CG 4.18Å; L915-L974 HydrophobicContact CG-CD2 4.15Å
916	S	93.9	Very high	90.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	106.1	175	174.3	0	0	0	0	110.4	V888 A890 Q918 L924	V888-S916 WeakPolarHBondContact O-CA 3.32Å; V888-S916 WeakPolarHBondContact O-CB 3.41Å; V888-S916 PolarHBondContact O-OG 3.38Å; A890-S916 WeakPolarHBondContact CA-OG 3.34Å; A890-S916 PolarHBondContact N-OG 3.35Å; A890-S916 PolarHBondContact O-OG 3.45Å; S916-Q918 PolarHBondContact O-NE2 3.32Å; S916-Q918 PolarHBondContact OG-NE2 2.97Å; S916-L924 PolarHBondContact N-O 2.86Å; S916-L924 PolarHBondContact O-N 3.44Å
917	P	91.2	Very high	91.1	Very high	57 Å²	57	37 Å²	37	37%	0.37	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	142.3	176.1	27.2	-32.6	0	0	0	111.5	L970	P917-L970 HydrophobicContact CB-CD1 3.94Å; P917-L970 HydrophobicContact CB-CD2 4.28Å; P917-L970 HydrophobicContact CG-CD1 4.32Å
918	Q	89.3	Confident	91.5	Very high	63 Å²	63	37.9 Å²	37.9	29%	0.294	22%	0.22	S	C	.	.			trans	-123.2	172.6	-179.9	-54.2	-64.4	-52.5	0	0	110.3	A890 S916 K922 L924	A890-Q918 PolarHBondContact O-NE2 3.01Å; S916-Q918 PolarHBondContact O-NE2 3.32Å; S916-Q918 PolarHBondContact OG-NE2 2.97Å; Q918-K922 WeakPolarHBondContact CA-O 3.48Å; Q918-K922 HydrophobicContact CB-CB 4.02Å; Q918-K922 VanDerWaalsContact CB-O 3.28Å; Q918-K922 WeakPolarHBondContact CB-O 3.13Å; Q918-K922 PolarHBondContact N-O 3.27Å; Q918-L924 HydrophobicContact CG-CD1 4.15Å; Q918-L924 HydrophobicContact CG-CD2 4.33Å; Q918-L924 HydrophobicContact CG-CG 3.76Å
919	S	82.4	Confident	91.9	Very high	96 Å²	96	33.4 Å²	33.4	67%	0.671	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-57.5	147.2	172.8	58.1	0	0	0	0	112.2
920	M	81.7	Confident	92.1	Very high	170 Å²	170	29.3 Å²	29.3	84%	0.837	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	60	38.1	178.3	-52.2	-160.2	-58.6	0	0	114.5	K922	M920-K922 PolarHBondContact O-N 3.23Å; M920-K922 VanDerWaalsContact O-N 3.13Å
921	G	82.3	Confident	91.8	Very high	27 Å²	27	37.4 Å²	37.4	28%	0.278	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	74.4	0.7	171.2	0	0	0	0	0	115.6	S966 T967	G921-S966 CarbonylContact O-C 3.5Å; G921-S966 VanDerWaalsContact O-CA 3.24Å; G921-S966 WeakPolarHBondContact O-CA 3.43Å; G921-S966 PolarHBondContact O-OG 2.94Å; G921-T967 PolarHBondContact O-N 3.5Å
922	K	90.8	Very high	91.3	Very high	128 Å²	128	41.3 Å²	41.3	56%	0.557	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	143.9	174.4	-71.3	-177.1	-179.8	-178.9	0	110.6	Q918 M920 G965	Q918-K922 WeakPolarHBondContact CA-O 3.48Å; Q918-K922 HydrophobicContact CB-CB 4.02Å; Q918-K922 VanDerWaalsContact CB-O 3.28Å; Q918-K922 WeakPolarHBondContact CB-O 3.13Å; Q918-K922 PolarHBondContact N-O 3.27Å; M920-K922 PolarHBondContact O-N 3.23Å; M920-K922 VanDerWaalsContact O-N 3.13Å; K922-G965 CarbonylContact C-O 3.55Å; K922-G965 WeakPolarHBondContact CA-O 3.1Å
923	V	93.3	Very high	90.7	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131	178.2	-176.7	0	0	0	0	109.4	L915 M950 T964 G965 T967 L970	L915-V923 HydrophobicContact CB-CG1 3.95Å; L915-V923 HydrophobicContact CD2-CG1 4.23Å; L915-V923 HydrophobicContact CG-CG1 4.48Å; V923-M950 HydrophobicContact CB-CE 4.47Å; V923-M950 HydrophobicContact CB-SD 3.87Å; V923-M950 HydrophobicContact CG1-CE 4.35Å; V923-M950 HydrophobicContact CG1-SD 3.86Å; V923-M950 HydrophobicContact CG2-SD 4.35Å; V923-T964 WeakPolarHBondContact O-CA 3.45Å; V923-G965 PolarHBondContact N-O 3.09Å; V923-G965 PolarHBondContact O-N 3.46Å; V923-T967 HydrophobicContact CG2-CG2 3.84Å; V923-L970 HydrophobicContact CG1-CD2 4.21Å; V923-L970 HydrophobicContact CG2-CD2 4.08Å
924	L	95.4	Very high	90	Very high	22 Å²	22	45 Å²	45	12%	0.115	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	140.9	171.3	-52.7	178.8	0	0	0	109.2	L893 L896 L915 S916 Q918 T964	L893-L924 HydrophobicContact CB-CD1 4.36Å; L893-L924 HydrophobicContact CD1-CB 3.95Å; L893-L924 HydrophobicContact CD1-CD2 4.48Å; L896-L924 HydrophobicContact CD2-CB 3.78Å; L896-L924 WeakPolarHBondContact CD2-O 3.48Å; L915-L924 CarbonylContact C-O 3.32Å; L915-L924 WeakPolarHBondContact CA-O 3.4Å; S916-L924 PolarHBondContact N-O 2.86Å; S916-L924 PolarHBondContact O-N 3.44Å; Q918-L924 HydrophobicContact CG-CD1 4.15Å; Q918-L924 HydrophobicContact CG-CD2 4.33Å; Q918-L924 HydrophobicContact CG-CG 3.76Å; L924-T964 HydrophobicContact CD2-CG2 3.73Å
925	C	95.8	Very high	89.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135	178.8	179.4	0	0	0	0	109.4	L893 L914 L915 M950 Q962 G963	L893-C925 WeakPolarHBondContact CD1-O 3.45Å; L914-C925 WeakPolarHBondContact O-CA 3.48Å; L915-C925 HydrophobicContact CD2-CB 3.67Å; C925-M950 HydrophobicContact CB-CE 4.37Å; C925-Q962 CarbonylContact O-C 3.56Å; C925-Q962 WeakPolarHBondContact O-CA 3.22Å; C925-G963 PolarHBondContact N-O 2.9Å; C925-G963 PolarHBondContact O-N 2.94Å
926	A	96.9	Very high	88.8	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.008	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.2	165.4	0	0	0	0	0	109.9	L896 V897 V900 L913 L914 A961	L896-A926 HydrophobicContact CB-CB 4.38Å; L896-A926 HydrophobicContact CD2-CB 4Å; L896-A926 HydrophobicContact CG-CB 3.77Å; V897-A926 HydrophobicContact CB-CB 4.41Å; V897-A926 HydrophobicContact CG2-CB 3.66Å; V900-A926 HydrophobicContact CG2-CB 3.89Å; L913-A926 WeakPolarHBondContact CA-O 3.47Å; L914-A926 PolarHBondContact N-O 3.1Å; L914-A926 PolarHBondContact O-N 3.02Å; A926-A961 WeakPolarHBondContact CA-O 3.46Å
927	C	95.8	Very high	88.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	156.6	175.1	69.1	0	0	0	0	113	V912 L913 A939 W942 V960 A961	V912-C927 CarbonylContact O-C 3.37Å; V912-C927 WeakPolarHBondContact O-CA 3.3Å; V912-C927 WeakPolarHBondContact O-CB 3.36Å; L913-C927 HydrophobicContact CB-CB 3.67Å; L913-C927 HydrophobicContact CD1-CB 3.88Å; L913-C927 HydrophobicContact CG-CB 3.79Å; C927-A939 PolarHBondContact SG-O 3.24Å; C927-W942 HydrophobicContact CB-CD2 4.38Å; C927-W942 HydrophobicContact CB-CE3 3.69Å; C927-W942 HydrophobicContact CB-CZ3 3.97Å; C927-V960 WeakPolarHBondContact O-CA 3.44Å; C927-A961 PolarHBondContact N-O 2.92Å; C927-A961 PolarHBondContact O-N 2.78Å
928	Q	95.8	Very high	88.9	Confident	35 Å²	35	52.3 Å²	52.3	16%	0.164	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	132.9	171.9	173.7	168.4	-24.8	0	0	108.7	V900 R901 C904 S911 V912 V959 V960	V900-Q928 HydrophobicContact CG1-CB 3.49Å; V900-Q928 VanDerWaalsContact CG1-CB 3.49Å; R901-Q928 VanDerWaalsContact CG-OE1 3.31Å; C904-Q928 HydrophobicContact CB-CG 4.08Å; C904-Q928 VanDerWaalsContact CB-NE2 3.3Å; S911-Q928 CarbonylContact C-O 3.55Å; S911-Q928 WeakPolarHBondContact CA-O 3.35Å; V912-Q928 PolarHBondContact N-O 3.27Å; V912-Q928 PolarHBondContact O-N 2.83Å; Q928-V959 VanDerWaalsContact CA-O 3.22Å; Q928-V959 WeakPolarHBondContact CA-O 3.45Å; Q928-V959 WeakPolarHBondContact CG-O 3.4Å; Q928-V960 HydrophobicContact CB-CG2 4.1Å; Q928-V960 HydrophobicContact CG-CG2 3.89Å
929	V	93.3	Very high	89.1	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.012	29%	0.294	C	S	.	.			trans	-98.3	139.4	179.6	175.2	0	0	0	0	109.8	A933 M934 F937 A939 W942 V959	V929-A933 HydrophobicContact CG1-CB 3.96Å; V929-M934 HydrophobicContact CG1-CG 4.44Å; V929-F937 HydrophobicContact CB-CD1 4.37Å; V929-F937 HydrophobicContact CG1-CB 4.03Å; V929-F937 HydrophobicContact CG1-CD1 3.48Å; V929-F937 VanDerWaalsContact CG1-CD1 3.48Å; V929-F937 HydrophobicContact CG1-CE1 4.11Å; V929-F937 HydrophobicContact CG1-CG 3.8Å; V929-F937 WeakPolarHBondContact CG1-O 3.39Å; V929-F937 HydrophobicContact CG2-CD1 3.95Å; V929-F937 HydrophobicContact CG2-CD2 4.2Å; V929-F937 HydrophobicContact CG2-CE1 3.9Å; V929-F937 HydrophobicContact CG2-CE2 4.14Å; V929-F937 HydrophobicContact CG2-CG 4.1Å; V929-F937 HydrophobicContact CG2-CZ 3.99Å; V929-A939 HydrophobicContact CG2-CB 4.05Å; V929-W942 HydrophobicContact CG2-CE3 3.83Å; V929-W942 HydrophobicContact CG2-CZ3 4.26Å; V929-V959 PolarHBondContact N-O 3.44Å
930	A	90.2	Very high	89.7	Confident	7 Å²	7	48.5 Å²	48.5	6%	0.058	28%	0.279	C	S	.	.			trans	-64.4	141.1	177.1	0	0	0	0	0	110.9	S911 G932 A933	S911-A930 PolarHBondContact OG-N 3.21Å; A930-G932 PolarHBondContact O-N 3.28Å; A930-G932 VanDerWaalsContact O-N 3.15Å; A930-A933 PolarHBondContact O-N 2.69Å
931	Q	84.8	Confident	90.3	Very high	174 Å²	174	42 Å²	42	81%	0.813	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-62	-29.3	-174.6	-157	170.9	11.7	0	0	112.8	A933 M934	Q931-A933 VanDerWaalsContact C-N 3.29Å; Q931-A933 PolarHBondContact O-N 2.94Å; Q931-M934 PolarHBondContact O-N 3.36Å
932	G	81.9	Confident	90.9	Very high	84 Å²	84	40.7 Å²	40.7	87%	0.866	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-72.6	-14	175.9	0	0	0	0	0	115.4	A930	A930-G932 PolarHBondContact O-N 3.28Å; A930-G932 VanDerWaalsContact O-N 3.15Å
933	A	81.1	Confident	91.2	Very high	20 Å²	20	34.6 Å²	34.6	17%	0.165	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-95.1	-5.5	176.4	0	0	0	0	0	112.8	V929 A930 Q931 T936 F937 L985	V929-A933 HydrophobicContact CG1-CB 3.96Å; A930-A933 PolarHBondContact O-N 2.69Å; Q931-A933 VanDerWaalsContact C-N 3.29Å; Q931-A933 PolarHBondContact O-N 2.94Å; A933-T936 PolarHBondContact O-N 3.28Å; A933-F937 HydrophobicContact CB-CB 4.1Å; A933-F937 HydrophobicContact CB-CD1 4.1Å; A933-F937 WeakPolarHBondContact O-CB 3.47Å; A933-F937 PolarHBondContact O-N 3.38Å; A933-L985 HydrophobicContact CB-CD2 3.69Å
934	M	83.3	Confident	91.3	Very high	58 Å²	58	38.9 Å²	38.9	29%	0.286	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	149.6	174.1	-70.8	-170.5	58.4	0	0	111.2	V929 Q931 R958 V959	V929-M934 HydrophobicContact CG1-CG 4.44Å; Q931-M934 PolarHBondContact O-N 3.36Å; M934-R958 HydrophobicContact CE-CB 3.84Å; M934-V959 HydrophobicContact CE-CG2 4.37Å; M934-V959 HydrophobicContact SD-CG2 3.87Å
935	P	81.7	Confident	91.2	Very high	97 Å²	97	39.1 Å²	39.1	63%	0.63	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.5	-6.7	6.8	35.3	-35.9	0	0	0	115.1	T938	P935-T938 WeakPolarHBondContact O-CG2 3.27Å
936	T	84.3	Confident	91.2	Very high	98 Å²	98	39.1 Å²	39.1	60%	0.601	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-42	-172.1	-45.7	0	0	0	0	112.4	A933 Q984	A933-T936 PolarHBondContact O-N 3.28Å; T936-Q984 PolarHBondContact O-OE1 3.26Å
937	F	91.6	Very high	91	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-103.3	126.3	176	-172.7	-156.1	0	0	0	110.3	V929 A933 W942 Y980 A981 Q984 L985	V929-F937 HydrophobicContact CB-CD1 4.37Å; V929-F937 HydrophobicContact CG1-CB 4.03Å; V929-F937 HydrophobicContact CG1-CD1 3.48Å; V929-F937 VanDerWaalsContact CG1-CD1 3.48Å; V929-F937 HydrophobicContact CG1-CE1 4.11Å; V929-F937 HydrophobicContact CG1-CG 3.8Å; V929-F937 WeakPolarHBondContact CG1-O 3.39Å; V929-F937 HydrophobicContact CG2-CD1 3.95Å; V929-F937 HydrophobicContact CG2-CD2 4.2Å; V929-F937 HydrophobicContact CG2-CE1 3.9Å; V929-F937 HydrophobicContact CG2-CE2 4.14Å; V929-F937 HydrophobicContact CG2-CG 4.1Å; V929-F937 HydrophobicContact CG2-CZ 3.99Å; A933-F937 HydrophobicContact CB-CB 4.1Å; A933-F937 HydrophobicContact CB-CD1 4.1Å; A933-F937 WeakPolarHBondContact O-CB 3.47Å; A933-F937 PolarHBondContact O-N 3.38Å; F937-W942 HydrophobicContact CE1-CE3 4.19Å; F937-W942 HydrophobicContact CE1-CH2 4.47Å; F937-W942 HydrophobicContact CE1-CZ3 4.18Å; F937-W942 HydrophobicContact CE2-CB 3.75Å; F937-W942 AromaticContact CE2-CD2 3.63Å; F937-W942 HydrophobicContact CE2-CD2 3.63Å; F937-W942 AromaticContact CE2-CE3 3.9Å; F937-W942 HydrophobicContact CE2-CE3 3.9Å; F937-W942 AromaticContact CE2-CG 3.58Å; F937-W942 HydrophobicContact CE2-CG 3.58Å; F937-W942 HydrophobicContact CZ-CB 4.39Å; F937-W942 AromaticContact CZ-CD2 3.34Å; F937-W942 HydrophobicContact CZ-CD2 3.34Å; F937-W942 AromaticContact CZ-CE2 3.65Å; F937-W942 AromaticContact CZ-CE3 3.36Å; F937-W942 HydrophobicContact CZ-CE3 3.36Å; F937-W942 AromaticContact CZ-CG 3.84Å; F937-W942 HydrophobicContact CZ-CG 3.84Å; F937-W942 AromaticContact CZ-CH2 3.99Å; F937-W942 HydrophobicContact CZ-CH2 3.99Å; F937-W942 AromaticContact CZ-CZ2 3.96Å; F937-W942 HydrophobicContact CZ-CZ2 3.96Å; F937-W942 AromaticContact CZ-CZ3 3.7Å; F937-W942 HydrophobicContact CZ-CZ3 3.7Å; F937-Y980 HydrophobicContact CD2-CE1 4.39Å; F937-Y980 HydrophobicContact CE2-CD1 4.13Å; F937-Y980 HydrophobicContact CE2-CE1 4.13Å; F937-A981 HydrophobicContact CE1-CB 4.18Å; F937-A981 HydrophobicContact CE2-CB 4.3Å; F937-A981 HydrophobicContact CZ-CB 3.62Å; F937-Q984 HydrophobicContact CB-CB 3.9Å; F937-Q984 HydrophobicContact CD2-CB 3.82Å; F937-Q984 HydrophobicContact CD2-CG 4.15Å; F937-Q984 HydrophobicContact CG-CB 3.97Å; F937-L985 HydrophobicContact CD1-CD2 3.89Å; F937-L985 HydrophobicContact CD1-CG 3.98Å; F937-L985 HydrophobicContact CE1-CD1 4.28Å; F937-L985 HydrophobicContact CE1-CD2 4.35Å; F937-L985 HydrophobicContact CE1-CG 4.14Å
938	T	94.2	Very high	90.9	Very high	15 Å²	15	42.3 Å²	42.3	9%	0.092	26%	0.26	C	S	.	.			trans	-128	145	179.9	76.1	0	0	0	0	112.2	P935 S941 W942 R958	P935-T938 WeakPolarHBondContact O-CG2 3.27Å; T938-S941 PolarHBondContact O-OG 3.5Å; T938-S941 VanDerWaalsContact O-OG 3.12Å; T938-S941 WeakPolarHBondContact OG1-CB 3.31Å; T938-S941 PolarHBondContact OG1-N 3.09Å; T938-S941 PolarHBondContact OG1-OG 3.43Å; T938-W942 WeakPolarHBondContact O-CB 3.37Å; T938-W942 PolarHBondContact O-N 2.59Å; T938-W942 VanDerWaalsContact O-N 3.11Å; T938-R958 WeakPolarHBondContact CA-O 3.43Å; T938-R958 HydrophobicContact CG2-CB 4.21Å; T938-R958 HydrophobicContact CG2-CG 4.13Å
939	A	94.4	Very high	90.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-38.7	-179.4	0	0	0	0	0	112.2	C927 V929 S941 W942 A943 R958 V959 A961	C927-A939 PolarHBondContact SG-O 3.24Å; V929-A939 HydrophobicContact CG2-CB 4.05Å; A939-S941 PolarHBondContact O-N 2.98Å; A939-W942 PolarHBondContact O-N 3.45Å; A939-A943 WeakPolarHBondContact O-CB 3.29Å; A939-A943 PolarHBondContact O-N 2.64Å; A939-R958 PolarHBondContact N-O 3.1Å; A939-V959 VanDerWaalsContact CB-C 3.45Å; A939-V959 WeakPolarHBondContact CB-O 3.22Å; A939-A961 VanDerWaalsContact C-CB 3.45Å; A939-A961 HydrophobicContact CB-CB 3.94Å; A939-A961 VanDerWaalsContact O-CB 3.28Å; A939-A961 WeakPolarHBondContact O-CB 3.48Å
940	E	95.2	Very high	90.7	Very high	79 Å²	79	45.4 Å²	45.4	37%	0.369	27%	0.274	S	S	.	.	H	α-helix	trans	-59.3	-46.1	177.8	65.4	-174	175.6	0	0	112.4	L944 S957 R958	E940-L944 VanDerWaalsContact O-CB 3.23Å; E940-L944 WeakPolarHBondContact O-CB 3.32Å; E940-L944 PolarHBondContact O-N 2.64Å; E940-S957 PolarHBondContact N-O 3.03Å; E940-R958 WeakPolarHBondContact OE1-CG 3.35Å; E940-R958 IonicContact OE1-NE 2.71Å
941	S	94.3	Very high	90.7	Very high	32 Å²	32	48.6 Å²	48.6	22%	0.224	31%	0.308	C	S	.	.	H	α-helix	trans	-71.8	-36	-179.1	71.6	0	0	0	0	111.5	T938 A939 L944 A945 Y980	T938-S941 PolarHBondContact O-OG 3.5Å; T938-S941 VanDerWaalsContact O-OG 3.12Å; T938-S941 WeakPolarHBondContact OG1-CB 3.31Å; T938-S941 PolarHBondContact OG1-N 3.09Å; T938-S941 PolarHBondContact OG1-OG 3.43Å; A939-S941 PolarHBondContact O-N 2.98Å; S941-L944 PolarHBondContact O-N 3.25Å; S941-A945 WeakPolarHBondContact O-CB 3.33Å; S941-A945 PolarHBondContact O-N 3.45Å; S941-Y980 WeakPolarHBondContact CB-OH 3.42Å; S941-Y980 PolarHBondContact OG-OH 2.8Å
942	W	95.8	Very high	90.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.7	-49.1	176.8	-167.2	21.7	0	0	0	112.7	L883 V885 V912 L913 C927 V929 F937 T938 A939 L944 A945 V946 A977 Y980 A981	L883-W942 HydrophobicContact CD1-CH2 3.46Å; L883-W942 VanDerWaalsContact CD1-CH2 3.46Å; L883-W942 HydrophobicContact CD1-CZ2 3.61Å; V885-W942 HydrophobicContact CG2-CH2 4.19Å; V885-W942 HydrophobicContact CG2-CZ2 3.59Å; V912-W942 WeakPolarHBondContact O-CZ3 3.47Å; L913-W942 HydrophobicContact CB-CD2 4.14Å; L913-W942 HydrophobicContact CB-CE3 4.1Å; L913-W942 HydrophobicContact CB-CH2 3.36Å; L913-W942 HydrophobicContact CB-CZ2 3.39Å; L913-W942 HydrophobicContact CB-CZ3 3.73Å; L913-W942 HydrophobicContact CD1-CD2 3.7Å; L913-W942 HydrophobicContact CD1-CE3 4.29Å; L913-W942 HydrophobicContact CD1-CG 3.96Å; L913-W942 HydrophobicContact CD1-CZ2 4.12Å; L913-W942 HydrophobicContact CG-CZ2 4.37Å; C927-W942 HydrophobicContact CB-CD2 4.38Å; C927-W942 HydrophobicContact CB-CE3 3.69Å; C927-W942 HydrophobicContact CB-CZ3 3.97Å; V929-W942 HydrophobicContact CG2-CE3 3.83Å; V929-W942 HydrophobicContact CG2-CZ3 4.26Å; F937-W942 HydrophobicContact CE1-CE3 4.19Å; F937-W942 HydrophobicContact CE1-CH2 4.47Å; F937-W942 HydrophobicContact CE1-CZ3 4.18Å; F937-W942 HydrophobicContact CE2-CB 3.75Å; F937-W942 AromaticContact CE2-CD2 3.63Å; F937-W942 HydrophobicContact CE2-CD2 3.63Å; F937-W942 AromaticContact CE2-CE3 3.9Å; F937-W942 HydrophobicContact CE2-CE3 3.9Å; F937-W942 AromaticContact CE2-CG 3.58Å; F937-W942 HydrophobicContact CE2-CG 3.58Å; F937-W942 HydrophobicContact CZ-CB 4.39Å; F937-W942 AromaticContact CZ-CD2 3.34Å; F937-W942 HydrophobicContact CZ-CD2 3.34Å; F937-W942 AromaticContact CZ-CE2 3.65Å; F937-W942 AromaticContact CZ-CE3 3.36Å; F937-W942 HydrophobicContact CZ-CE3 3.36Å; F937-W942 AromaticContact CZ-CG 3.84Å; F937-W942 HydrophobicContact CZ-CG 3.84Å; F937-W942 AromaticContact CZ-CH2 3.99Å; F937-W942 HydrophobicContact CZ-CH2 3.99Å; F937-W942 AromaticContact CZ-CZ2 3.96Å; F937-W942 HydrophobicContact CZ-CZ2 3.96Å; F937-W942 AromaticContact CZ-CZ3 3.7Å; F937-W942 HydrophobicContact CZ-CZ3 3.7Å; T938-W942 WeakPolarHBondContact O-CB 3.37Å; T938-W942 PolarHBondContact O-N 2.59Å; T938-W942 VanDerWaalsContact O-N 3.11Å; A939-W942 PolarHBondContact O-N 3.45Å; W942-L944 VanDerWaalsContact C-N 3.3Å; W942-L944 PolarHBondContact O-N 2.82Å; W942-A945 PolarHBondContact O-N 3.08Å; W942-V946 WeakPolarHBondContact O-CG2 3.37Å; W942-V946 PolarHBondContact O-N 3.46Å; W942-A977 PolarHBondContact NE1-O 3.47Å; W942-Y980 HydrophobicContact CB-CD1 4.09Å; W942-Y980 HydrophobicContact CB-CE1 4Å; W942-Y980 AromaticContact CD1-CD1 3.4Å; W942-Y980 AromaticContact CG-CD1 3.99Å; W942-Y980 HydrophobicContact CG-CD1 3.99Å; W942-Y980 HydrophobicContact CG-CE1 4.38Å; W942-A981 HydrophobicContact CZ2-CB 3.75Å
943	A	95.7	Very high	91.4	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.1	-38.1	175.9	0	0	0	0	0	111.5	A939 V946 C947 A954 A961	A939-A943 WeakPolarHBondContact O-CB 3.29Å; A939-A943 PolarHBondContact O-N 2.64Å; A943-V946 PolarHBondContact O-N 2.72Å; A943-C947 VanDerWaalsContact O-CB 3.23Å; A943-C947 WeakPolarHBondContact O-CB 3.5Å; A943-C947 PolarHBondContact O-N 3.47Å; A943-C947 PolarHBondContact O-SG 2.79Å; A943-A954 HydrophobicContact CB-CB 3.75Å; A943-A961 HydrophobicContact CB-CB 3.66Å
944	L	95.7	Very high	92	Very high	92 Å²	92	45.3 Å²	45.3	48%	0.482	27%	0.274	S	S	.	.	H	α-helix	trans	-63.6	-46.4	177.4	-177.6	64.7	0	0	0	111.8	E940 S941 W942 V946 S948 A954	E940-L944 VanDerWaalsContact O-CB 3.23Å; E940-L944 WeakPolarHBondContact O-CB 3.32Å; E940-L944 PolarHBondContact O-N 2.64Å; S941-L944 PolarHBondContact O-N 3.25Å; W942-L944 VanDerWaalsContact C-N 3.3Å; W942-L944 PolarHBondContact O-N 2.82Å; L944-V946 VanDerWaalsContact C-N 3.32Å; L944-V946 PolarHBondContact O-N 3.04Å; L944-S948 WeakPolarHBondContact O-CB 3.15Å; L944-S948 PolarHBondContact O-N 2.91Å; L944-S948 PolarHBondContact O-OG 3.08Å; L944-A954 HydrophobicContact CB-CB 4.45Å
945	A	94	Very high	92.5	Very high	28 Å²	28	48.3 Å²	48.3	23%	0.231	28%	0.282	C	S	.	.	H	α-helix	trans	-57.6	-45.9	178.1	0	0	0	0	0	111.7	S941 W942 H949 Y980	S941-A945 WeakPolarHBondContact O-CB 3.33Å; S941-A945 PolarHBondContact O-N 3.45Å; W942-A945 PolarHBondContact O-N 3.08Å; A945-H949 PolarHBondContact O-N 3.2Å; A945-Y980 HydrophobicContact CB-CD2 3.55Å; A945-Y980 HydrophobicContact CB-CE2 3.83Å; A945-Y980 HydrophobicContact CB-CG 3.98Å
946	V	94.3	Very high	92.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-73.1	-44.5	-177.8	-179.3	0	0	0	0	111.9	L913 L915 W942 A943 L944 S948 H949 M950 A977	L913-V946 HydrophobicContact CD1-CB 4.34Å; L913-V946 HydrophobicContact CD1-CG2 3.81Å; L915-V946 HydrophobicContact CD1-CG1 4.43Å; L915-V946 HydrophobicContact CD2-CG1 4.08Å; W942-V946 WeakPolarHBondContact O-CG2 3.37Å; W942-V946 PolarHBondContact O-N 3.46Å; A943-V946 PolarHBondContact O-N 2.72Å; L944-V946 VanDerWaalsContact C-N 3.32Å; L944-V946 PolarHBondContact O-N 3.04Å; V946-S948 PolarHBondContact O-N 3.49Å; V946-H949 PolarHBondContact O-N 3.31Å; V946-M950 HydrophobicContact CG1-CE 4.13Å; V946-M950 WeakPolarHBondContact O-CG 3.13Å; V946-M950 PolarHBondContact O-N 2.99Å; V946-A977 HydrophobicContact CG1-CB 4.28Å; V946-A977 VanDerWaalsContact CG2-CA 3.47Å; V946-A977 HydrophobicContact CG2-CB 3.41Å; V946-A977 VanDerWaalsContact CG2-CB 3.41Å
947	C	94.6	Very high	93.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.9	-37.5	177.8	-67.3	0	0	0	0	111.6	A943 H949 M950 G951 G952 A954	A943-C947 VanDerWaalsContact O-CB 3.23Å; A943-C947 WeakPolarHBondContact O-CB 3.5Å; A943-C947 PolarHBondContact O-N 3.47Å; A943-C947 PolarHBondContact O-SG 2.79Å; C947-H949 VanDerWaalsContact C-N 3.32Å; C947-H949 PolarHBondContact O-N 3.32Å; C947-M950 CarbonylContact O-C 3.57Å; C947-M950 WeakPolarHBondContact O-CA 3.37Å; C947-M950 PolarHBondContact O-N 2.98Å; C947-M950 VanDerWaalsContact O-N 3.11Å; C947-G951 PolarHBondContact O-N 3.44Å; C947-G952 VanDerWaalsContact O-CA 3.29Å; C947-G952 WeakPolarHBondContact O-CA 3.18Å; C947-G952 PolarHBondContact O-N 2.8Å; C947-A954 HydrophobicContact CB-CB 4.03Å
948	S	92.8	Very high	93.3	Very high	67 Å²	67	51 Å²	51	47%	0.469	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-39.5	177.2	-58.6	0	0	0	0	111.7	L944 V946 M950 G951	L944-S948 WeakPolarHBondContact O-CB 3.15Å; L944-S948 PolarHBondContact O-N 2.91Å; L944-S948 PolarHBondContact O-OG 3.08Å; V946-S948 PolarHBondContact O-N 3.49Å; S948-M950 VanDerWaalsContact C-N 3.27Å; S948-M950 PolarHBondContact O-N 2.85Å; S948-G951 PolarHBondContact O-N 2.94Å
949	H	91.8	Very high	93.1	Very high	98 Å²	98	53.3 Å²	53.3	45%	0.454	31%	0.307	S	S	.	.	H	α-helix	trans	-60.6	-37.2	173.4	-176.5	83.2	0	0	0	112.3	A945 V946 C947 G951 T976	A945-H949 PolarHBondContact O-N 3.2Å; V946-H949 PolarHBondContact O-N 3.31Å; C947-H949 VanDerWaalsContact C-N 3.32Å; C947-H949 PolarHBondContact O-N 3.32Å; H949-G951 PolarHBondContact O-N 3.17Å; H949-T976 HydrophobicContact CB-CG2 4.08Å
950	M	93.4	Very high	93.1	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.02	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	15.4	173.7	-58	-175.7	-63	0	0	113.5	L915 V923 C925 V946 C947 S948 G952 S966 T967 A973	L915-M950 HydrophobicContact CD1-SD 4.36Å; L915-M950 HydrophobicContact CD2-CE 4.08Å; L915-M950 HydrophobicContact CD2-SD 4.49Å; V923-M950 HydrophobicContact CB-CE 4.47Å; V923-M950 HydrophobicContact CB-SD 3.87Å; V923-M950 HydrophobicContact CG1-CE 4.35Å; V923-M950 HydrophobicContact CG1-SD 3.86Å; V923-M950 HydrophobicContact CG2-SD 4.35Å; C925-M950 HydrophobicContact CB-CE 4.37Å; V946-M950 HydrophobicContact CG1-CE 4.13Å; V946-M950 WeakPolarHBondContact O-CG 3.13Å; V946-M950 PolarHBondContact O-N 2.99Å; C947-M950 CarbonylContact O-C 3.57Å; C947-M950 WeakPolarHBondContact O-CA 3.37Å; C947-M950 PolarHBondContact O-N 2.98Å; C947-M950 VanDerWaalsContact O-N 3.11Å; S948-M950 VanDerWaalsContact C-N 3.27Å; S948-M950 PolarHBondContact O-N 2.85Å; M950-G952 PolarHBondContact O-N 2.86Å; M950-S966 CarbonylContact O-C 3.53Å; M950-S966 PolarHBondContact O-N 3Å; M950-T967 HydrophobicContact CB-CG2 4.44Å; M950-T967 HydrophobicContact CG-CG2 3.8Å; M950-T967 HydrophobicContact SD-CG2 3.82Å; M950-A973 HydrophobicContact CG-CB 3.8Å; M950-A973 HydrophobicContact SD-CB 3.84Å
951	G	88.9	Confident	93.2	Very high	75 Å²	75	50.8 Å²	50.8	77%	0.773	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	26.8	-178.2	0	0	0	0	0	114.6	C947 S948 H949	C947-G951 PolarHBondContact O-N 3.44Å; S948-G951 PolarHBondContact O-N 2.94Å; H949-G951 PolarHBondContact O-N 3.17Å
952	G	90.6	Very high	93.2	Very high	20 Å²	20	51.8 Å²	51.8	21%	0.206	30%	0.298	C	S	.	.			trans	-114	-173.8	-170.2	0	0	0	0	0	115	C947 M950 T964	C947-G952 VanDerWaalsContact O-CA 3.29Å; C947-G952 WeakPolarHBondContact O-CA 3.18Å; C947-G952 PolarHBondContact O-N 2.8Å; M950-G952 PolarHBondContact O-N 2.86Å; G952-T964 CarbonylContact C-O 3.48Å; G952-T964 WeakPolarHBondContact CA-O 3.19Å
953	K	92.5	Very high	93.2	Very high	163 Å²	163	51.8 Å²	51.8	71%	0.709	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	146.5	176.5	-64.4	-175.6	-179.2	-177.9	0	110.6	G963 T964	K953-G963 CarbonylContact O-C 3.57Å; K953-G963 WeakPolarHBondContact O-CA 3.49Å; K953-T964 PolarHBondContact N-O 3.09Å; K953-T964 PolarHBondContact O-N 2.93Å
954	A	93.3	Very high	93.1	Very high	25 Å²	25	54.5 Å²	54.5	21%	0.207	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.3	173.9	0	0	0	0	0	111	A943 L944 C947 Q962	A943-A954 HydrophobicContact CB-CB 3.75Å; L944-A954 HydrophobicContact CB-CB 4.45Å; C947-A954 HydrophobicContact CB-CB 4.03Å; A954-Q962 CarbonylContact C-O 3.56Å; A954-Q962 VanDerWaalsContact CA-O 3.31Å; A954-Q962 WeakPolarHBondContact CA-O 3.48Å
955	W	93.3	Very high	92.9	Very high	122 Å²	122	50.6 Å²	50.6	46%	0.462	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	151.8	176.1	59	97.5	0	0	0	110	L893 Q962 T964	L893-W955 HydrophobicContact CD2-CH2 4.38Å; L893-W955 HydrophobicContact CD2-CZ2 3.9Å; W955-Q962 HydrophobicContact CD2-CG 4.46Å; W955-Q962 HydrophobicContact CZ2-CG 4.27Å; W955-Q962 PolarHBondContact N-O 2.68Å; W955-Q962 PolarHBondContact O-N 3.31Å; W955-T964 HydrophobicContact CH2-CG2 4.28Å
956	G	90.5	Very high	92.8	Very high	46 Å²	46	52.8 Å²	52.8	47%	0.474	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	162.9	-165.5	-174.6	0	0	0	0	0	113	V960	G956-V960 WeakPolarHBondContact CA-O 3.36Å
957	S	92.2	Very high	92.5	Very high	61 Å²	61	53.9 Å²	53.9	43%	0.427	32%	0.317	S	S	.	.			trans	-108.8	176.5	169.2	73.1	0	0	0	0	110.4	E940 V959 V960	E940-S957 PolarHBondContact N-O 3.03Å; S957-V959 PolarHBondContact O-N 3.36Å; S957-V959 VanDerWaalsContact O-N 3.12Å; S957-V959 PolarHBondContact OG-N 3.09Å; S957-V960 PolarHBondContact N-O 3.16Å; S957-V960 PolarHBondContact OG-N 2.77Å; S957-V960 PolarHBondContact OG-O 2.84Å
958	R	90.9	Very high	92	Very high	144 Å²	144	60.9 Å²	60.9	54%	0.543	36%	0.36	S	S	.	.	S	Bend	trans	-57.5	-23.6	171.8	-66.9	-176.2	178.4	-175.4	0.7	114.1	M934 T938 A939 E940	M934-R958 HydrophobicContact CE-CB 3.84Å; T938-R958 WeakPolarHBondContact CA-O 3.43Å; T938-R958 HydrophobicContact CG2-CB 4.21Å; T938-R958 HydrophobicContact CG2-CG 4.13Å; A939-R958 PolarHBondContact N-O 3.1Å; E940-R958 WeakPolarHBondContact OE1-CG 3.35Å; E940-R958 IonicContact OE1-NE 2.71Å
959	V	91.6	Very high	91.8	Very high	64 Å²	64	61.8 Å²	61.8	39%	0.388	36%	0.359	S	S	.	.	S	Bend	trans	-96.7	-43	-176	-173.6	0	0	0	0	111.7	Q928 V929 M934 A939 S957	Q928-V959 VanDerWaalsContact CA-O 3.22Å; Q928-V959 WeakPolarHBondContact CA-O 3.45Å; Q928-V959 WeakPolarHBondContact CG-O 3.4Å; V929-V959 PolarHBondContact N-O 3.44Å; M934-V959 HydrophobicContact CE-CG2 4.37Å; M934-V959 HydrophobicContact SD-CG2 3.87Å; A939-V959 VanDerWaalsContact CB-C 3.45Å; A939-V959 WeakPolarHBondContact CB-O 3.22Å; S957-V959 PolarHBondContact O-N 3.36Å; S957-V959 VanDerWaalsContact O-N 3.12Å; S957-V959 PolarHBondContact OG-N 3.09Å
960	V	94.6	Very high	91.7	Very high	23 Å²	23	59.5 Å²	59.5	14%	0.139	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	130.2	-177.5	-177	0	0	0	0	109.6	V897 C927 Q928 G956 S957	V897-V960 HydrophobicContact CG1-CG1 4.36Å; C927-V960 WeakPolarHBondContact O-CA 3.44Å; Q928-V960 HydrophobicContact CB-CG2 4.1Å; Q928-V960 HydrophobicContact CG-CG2 3.89Å; G956-V960 WeakPolarHBondContact CA-O 3.36Å; S957-V960 PolarHBondContact N-O 3.16Å; S957-V960 PolarHBondContact OG-N 2.77Å; S957-V960 PolarHBondContact OG-O 2.84Å
961	A	95.6	Very high	91.5	Very high	2 Å²	2	64.9 Å²	64.9	2%	0.017	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	161.2	175.8	0	0	0	0	0	112.3	A926 C927 A939 A943	A926-A961 WeakPolarHBondContact CA-O 3.46Å; C927-A961 PolarHBondContact N-O 2.92Å; C927-A961 PolarHBondContact O-N 2.78Å; A939-A961 VanDerWaalsContact C-CB 3.45Å; A939-A961 HydrophobicContact CB-CB 3.94Å; A939-A961 VanDerWaalsContact O-CB 3.28Å; A939-A961 WeakPolarHBondContact O-CB 3.48Å; A943-A961 HydrophobicContact CB-CB 3.66Å
962	Q	96.1	Very high	91.6	Very high	54 Å²	54	62.7 Å²	62.7	25%	0.252	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	161.6	-179.4	65.3	-176.4	-11.7	0	0	110.1	L893 V897 C925 A954 W955	L893-Q962 HydrophobicContact CD1-CB 4.15Å; L893-Q962 HydrophobicContact CD2-CB 4.16Å; L893-Q962 HydrophobicContact CD2-CG 4.02Å; L893-Q962 HydrophobicContact CG-CB 4.26Å; V897-Q962 HydrophobicContact CG2-CB 3.91Å; V897-Q962 VanDerWaalsContact CG2-OE1 3.3Å; C925-Q962 CarbonylContact O-C 3.56Å; C925-Q962 WeakPolarHBondContact O-CA 3.22Å; A954-Q962 CarbonylContact C-O 3.56Å; A954-Q962 VanDerWaalsContact CA-O 3.31Å; A954-Q962 WeakPolarHBondContact CA-O 3.48Å; W955-Q962 HydrophobicContact CD2-CG 4.46Å; W955-Q962 HydrophobicContact CZ2-CG 4.27Å; W955-Q962 PolarHBondContact N-O 2.68Å; W955-Q962 PolarHBondContact O-N 3.31Å
963	G	94.3	Very high	91.6	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	178.5	-179.7	0	0	0	0	0	113.2	C925 K953	C925-G963 PolarHBondContact N-O 2.9Å; C925-G963 PolarHBondContact O-N 2.94Å; K953-G963 CarbonylContact O-C 3.57Å; K953-G963 WeakPolarHBondContact O-CA 3.49Å
964	T	94.1	Very high	91.6	Very high	57 Å²	57	54.2 Å²	54.2	35%	0.35	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	138.7	178.9	60.1	0	0	0	0	109.8	V923 L924 G952 K953 W955	V923-T964 WeakPolarHBondContact O-CA 3.45Å; L924-T964 HydrophobicContact CD2-CG2 3.73Å; G952-T964 CarbonylContact C-O 3.48Å; G952-T964 WeakPolarHBondContact CA-O 3.19Å; K953-T964 PolarHBondContact N-O 3.09Å; K953-T964 PolarHBondContact O-N 2.93Å; W955-T964 HydrophobicContact CH2-CG2 4.28Å
965	G	92.3	Very high	91.6	Very high	10 Å²	10	56.4 Å²	56.4	10%	0.103	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	-172.6	172.8	0	0	0	0	0	112	K922 V923	K922-G965 CarbonylContact C-O 3.55Å; K922-G965 WeakPolarHBondContact CA-O 3.1Å; V923-G965 PolarHBondContact N-O 3.09Å; V923-G965 PolarHBondContact O-N 3.46Å
966	S	91.4	Very high	91.6	Very high	73 Å²	73	52.4 Å²	52.4	51%	0.51	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	121	175.6	-172.3	0	0	0	0	109.6	G921 M950	G921-S966 CarbonylContact O-C 3.5Å; G921-S966 VanDerWaalsContact O-CA 3.24Å; G921-S966 WeakPolarHBondContact O-CA 3.43Å; G921-S966 PolarHBondContact O-OG 2.94Å; M950-S966 CarbonylContact O-C 3.53Å; M950-S966 PolarHBondContact O-N 3Å
967	T	88.6	Confident	91.7	Very high	24 Å²	24	50.2 Å²	50.2	15%	0.147	29%	0.288	C	S	.	.			trans	-149.9	144.1	175.6	-176.7	0	0	0	0	110.4	G921 V923 M950 D969 A973	G921-T967 PolarHBondContact O-N 3.5Å; V923-T967 HydrophobicContact CG2-CG2 3.84Å; M950-T967 HydrophobicContact CB-CG2 4.44Å; M950-T967 HydrophobicContact CG-CG2 3.8Å; M950-T967 HydrophobicContact SD-CG2 3.82Å; T967-D969 PolarHBondContact OG1-N 3.2Å; T967-D969 PolarHBondContact OG1-O 2.75Å; T967-A973 HydrophobicContact CG2-CB 4.43Å
968	T	83.4	Confident	91.8	Very high	147 Å²	147	51.7 Å²	51.7	90%	0.902	28%	0.284	S	S	*	.	S	Bend	trans	-91.5	-13.6	167	52.7	0	0	0	0	112
969	D	89.3	Confident	91.8	Very high	85 Å²	85	47.7 Å²	47.7	46%	0.455	28%	0.281	S	S	.	.			trans	-110.1	92.3	177.2	-171	-12.1	0	0	0	109.6	T967 E971 A972	T967-D969 PolarHBondContact OG1-N 3.2Å; T967-D969 PolarHBondContact OG1-O 2.75Å; D969-E971 PolarHBondContact OD1-N 3.31Å; D969-A972 HydrophobicContact CB-CB 4.16Å; D969-A972 VanDerWaalsContact CG-CB 3.45Å; D969-A972 PolarHBondContact OD1-N 2.98Å; D969-A972 WeakPolarHBondContact OD2-CB 3.43Å
970	L	88.9	Confident	91.9	Very high	51 Å²	51	47.4 Å²	47.4	27%	0.267	27%	0.274	S	S	.	.	H	α-helix	trans	-72.4	-30.3	178.2	-84	143.9	0	0	0	112.1	T887 P917 V923 A973 L974	T887-L970 HydrophobicContact CG2-CD2 4.33Å; P917-L970 HydrophobicContact CB-CD1 3.94Å; P917-L970 HydrophobicContact CB-CD2 4.28Å; P917-L970 HydrophobicContact CG-CD1 4.32Å; V923-L970 HydrophobicContact CG1-CD2 4.21Å; V923-L970 HydrophobicContact CG2-CD2 4.08Å; L970-A973 PolarHBondContact O-N 2.97Å; L970-L974 WeakPolarHBondContact O-CG 3.38Å; L970-L974 PolarHBondContact O-N 2.87Å
971	E	90	Very high	91.7	Very high	117 Å²	117	46.3 Å²	46.3	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-72.2	-37	-179.1	-85.6	-67.3	-172.3	0	0	111.8	D969 A973 L974 S975 R978	D969-E971 PolarHBondContact OD1-N 3.31Å; E971-A973 VanDerWaalsContact C-N 3.27Å; E971-A973 PolarHBondContact O-N 3.26Å; E971-L974 PolarHBondContact O-N 3.38Å; E971-S975 VanDerWaalsContact O-CB 3.25Å; E971-S975 WeakPolarHBondContact O-CB 3.47Å; E971-S975 PolarHBondContact O-N 2.99Å; E971-R978 IonicContact OE2-NH1 2.89Å
972	A	89.8	Confident	91.3	Very high	28 Å²	28	51.9 Å²	51.9	23%	0.231	30%	0.296	C	S	.	.	H	α-helix	trans	-59.2	-39.4	171.3	0	0	0	0	0	112.2	D969 T976	D969-A972 HydrophobicContact CB-CB 4.16Å; D969-A972 VanDerWaalsContact CG-CB 3.45Å; D969-A972 PolarHBondContact OD1-N 2.98Å; D969-A972 WeakPolarHBondContact OD2-CB 3.43Å; A972-T976 WeakPolarHBondContact O-CB 3.5Å; A972-T976 PolarHBondContact O-N 3.22Å; A972-T976 PolarHBondContact O-OG1 3.05Å
973	A	91.5	Very high	91	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-68.9	-42	176.8	0	0	0	0	0	112.6	L915 M950 T967 L970 E971 T976 A977	L915-A973 HydrophobicContact CD1-CB 3.78Å; M950-A973 HydrophobicContact CG-CB 3.8Å; M950-A973 HydrophobicContact SD-CB 3.84Å; T967-A973 HydrophobicContact CG2-CB 4.43Å; L970-A973 PolarHBondContact O-N 2.97Å; E971-A973 VanDerWaalsContact C-N 3.27Å; E971-A973 PolarHBondContact O-N 3.26Å; A973-T976 PolarHBondContact O-N 3.39Å; A973-A977 WeakPolarHBondContact O-CB 3.43Å; A973-A977 PolarHBondContact O-N 2.83Å
974	L	92.9	Very high	90.5	Very high	6 Å²	6	55.9 Å²	55.9	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-66	-40	174.5	-67	168.8	0	0	0	111.9	V885 T887 L915 L970 E971 A977 R978	V885-L974 HydrophobicContact CG1-CB 4.41Å; V885-L974 HydrophobicContact CG1-CD2 3.81Å; T887-L974 HydrophobicContact CG2-CD1 3.74Å; T887-L974 HydrophobicContact CG2-CD2 4.07Å; T887-L974 HydrophobicContact CG2-CG 4.28Å; L915-L974 HydrophobicContact CB-CD2 4.47Å; L915-L974 HydrophobicContact CD1-CD2 3.84Å; L915-L974 HydrophobicContact CD1-CG 4.18Å; L915-L974 HydrophobicContact CG-CD2 4.15Å; L970-L974 WeakPolarHBondContact O-CG 3.38Å; L970-L974 PolarHBondContact O-N 2.87Å; E971-L974 PolarHBondContact O-N 3.38Å; L974-A977 WeakPolarHBondContact O-CB 3.3Å; L974-A977 PolarHBondContact O-N 3.25Å; L974-R978 WeakPolarHBondContact O-CG 3.5Å; L974-R978 PolarHBondContact O-N 3.21Å
975	S	91.9	Very high	89.8	Confident	70 Å²	70	58.2 Å²	58.2	49%	0.49	33%	0.332	S	S	.	.	H	α-helix	trans	-61.9	-44.9	175.4	-174.5	0	0	0	0	111	E971 A977 R978 A979	E971-S975 VanDerWaalsContact O-CB 3.25Å; E971-S975 WeakPolarHBondContact O-CB 3.47Å; E971-S975 PolarHBondContact O-N 2.99Å; S975-A977 VanDerWaalsContact C-N 3.33Å; S975-A977 PolarHBondContact O-N 3.1Å; S975-R978 PolarHBondContact O-N 3.06Å; S975-A979 VanDerWaalsContact O-CB 3.28Å; S975-A979 WeakPolarHBondContact O-CB 3.4Å; S975-A979 PolarHBondContact O-N 3.5Å
976	T	92.8	Very high	89.7	Confident	39 Å²	39	60.6 Å²	60.6	24%	0.239	34%	0.344	C	S	.	.	H	α-helix	trans	-59.4	-44	173.8	-59.7	0	0	0	0	111.5	H949 A972 A973 Y980	H949-T976 HydrophobicContact CB-CG2 4.08Å; A972-T976 WeakPolarHBondContact O-CB 3.5Å; A972-T976 PolarHBondContact O-N 3.22Å; A972-T976 PolarHBondContact O-OG1 3.05Å; A973-T976 PolarHBondContact O-N 3.39Å; T976-Y980 WeakPolarHBondContact O-CB 3.44Å; T976-Y980 PolarHBondContact O-N 3.27Å
977	A	93.8	Very high	89.6	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.4	-42.7	177.1	0	0	0	0	0	112.7	V885 L913 W942 V946 A973 L974 S975 A981	V885-A977 HydrophobicContact CG1-CB 3.6Å; V885-A977 HydrophobicContact CG2-CB 4.47Å; L913-A977 HydrophobicContact CD1-CB 4.21Å; L913-A977 HydrophobicContact CD2-CB 3.9Å; W942-A977 PolarHBondContact NE1-O 3.47Å; V946-A977 HydrophobicContact CG1-CB 4.28Å; V946-A977 VanDerWaalsContact CG2-CA 3.47Å; V946-A977 HydrophobicContact CG2-CB 3.41Å; V946-A977 VanDerWaalsContact CG2-CB 3.41Å; A973-A977 WeakPolarHBondContact O-CB 3.43Å; A973-A977 PolarHBondContact O-N 2.83Å; L974-A977 WeakPolarHBondContact O-CB 3.3Å; L974-A977 PolarHBondContact O-N 3.25Å; S975-A977 VanDerWaalsContact C-N 3.33Å; S975-A977 PolarHBondContact O-N 3.1Å; A977-A981 WeakPolarHBondContact O-CB 3.45Å; A977-A981 PolarHBondContact O-N 2.89Å; A977-A981 VanDerWaalsContact O-N 3.11Å
978	R	93.9	Very high	89.7	Confident	92 Å²	92	61.9 Å²	61.9	35%	0.347	35%	0.346	S	S	.	.	H	α-helix	trans	-67.6	-47.7	176.6	-70.8	172.7	-171.1	141.9	3.9	111.6	V885 E971 L974 S975 Y980 A981 L982	V885-R978 HydrophobicContact CB-CG 3.66Å; V885-R978 HydrophobicContact CG1-CG 3.87Å; V885-R978 HydrophobicContact CG2-CG 3.92Å; V885-R978 PolarHBondContact O-NH2 3.27Å; E971-R978 IonicContact OE2-NH1 2.89Å; L974-R978 WeakPolarHBondContact O-CG 3.5Å; L974-R978 PolarHBondContact O-N 3.21Å; S975-R978 PolarHBondContact O-N 3.06Å; R978-Y980 VanDerWaalsContact C-N 3.31Å; R978-Y980 PolarHBondContact O-N 3.08Å; R978-A981 PolarHBondContact O-N 3.47Å; R978-L982 WeakPolarHBondContact O-CB 3.49Å; R978-L982 WeakPolarHBondContact O-CG 3.15Å; R978-L982 PolarHBondContact O-N 2.93Å
979	A	91.6	Very high	90.1	Very high	60 Å²	60	56.9 Å²	56.9	50%	0.496	31%	0.313	S	S	.	.	H	α-helix	trans	-60.5	-42	179.5	0	0	0	0	0	111.5	S975 S983	S975-A979 VanDerWaalsContact O-CB 3.28Å; S975-A979 WeakPolarHBondContact O-CB 3.4Å; S975-A979 PolarHBondContact O-N 3.5Å; A979-S983 PolarHBondContact O-N 3.45Å; A979-S983 VanDerWaalsContact O-N 3.13Å
980	Y	93.4	Very high	90.1	Very high	58 Å²	58	55.2 Å²	55.2	23%	0.227	30%	0.304	C	S	.	.	H	α-helix	trans	-61.9	-51.6	174.5	-171.9	-87.5	0	0	0	111	F937 S941 W942 A945 T976 R978 L982 S983 Q984	F937-Y980 HydrophobicContact CD2-CE1 4.39Å; F937-Y980 HydrophobicContact CE2-CD1 4.13Å; F937-Y980 HydrophobicContact CE2-CE1 4.13Å; S941-Y980 WeakPolarHBondContact CB-OH 3.42Å; S941-Y980 PolarHBondContact OG-OH 2.8Å; W942-Y980 HydrophobicContact CB-CD1 4.09Å; W942-Y980 HydrophobicContact CB-CE1 4Å; W942-Y980 AromaticContact CD1-CD1 3.4Å; W942-Y980 AromaticContact CG-CD1 3.99Å; W942-Y980 HydrophobicContact CG-CD1 3.99Å; W942-Y980 HydrophobicContact CG-CE1 4.38Å; A945-Y980 HydrophobicContact CB-CD2 3.55Å; A945-Y980 HydrophobicContact CB-CE2 3.83Å; A945-Y980 HydrophobicContact CB-CG 3.98Å; T976-Y980 WeakPolarHBondContact O-CB 3.44Å; T976-Y980 PolarHBondContact O-N 3.27Å; R978-Y980 VanDerWaalsContact C-N 3.31Å; R978-Y980 PolarHBondContact O-N 3.08Å; Y980-L982 PolarHBondContact O-N 3.24Å; Y980-S983 PolarHBondContact O-N 3.12Å; Y980-S983 VanDerWaalsContact O-N 3.13Å; Y980-S983 PolarHBondContact O-OG 3.2Å; Y980-Q984 HydrophobicContact CD1-CG 4.35Å; Y980-Q984 HydrophobicContact CE1-CG 4.02Å; Y980-Q984 WeakPolarHBondContact O-CG 3.3Å
981	A	90.2	Very high	90.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-42.7	-179.1	0	0	0	0	0	113	L883 F937 W942 A977 R978 S983 Q984 L985	L883-A981 HydrophobicContact CD1-CB 3.53Å; L883-A981 HydrophobicContact CD2-CB 3.56Å; L883-A981 HydrophobicContact CG-CB 4.2Å; F937-A981 HydrophobicContact CE1-CB 4.18Å; F937-A981 HydrophobicContact CE2-CB 4.3Å; F937-A981 HydrophobicContact CZ-CB 3.62Å; W942-A981 HydrophobicContact CZ2-CB 3.75Å; A977-A981 WeakPolarHBondContact O-CB 3.45Å; A977-A981 PolarHBondContact O-N 2.89Å; A977-A981 VanDerWaalsContact O-N 3.11Å; R978-A981 PolarHBondContact O-N 3.47Å; A981-S983 PolarHBondContact O-N 3.25Å; A981-Q984 PolarHBondContact O-N 3.14Å; A981-L985 WeakPolarHBondContact O-CB 3.47Å; A981-L985 WeakPolarHBondContact O-CG 3.17Å; A981-L985 PolarHBondContact O-N 3.11Å
982	L	87.8	Confident	90.2	Very high	118 Å²	118	51.1 Å²	51.1	62%	0.618	29%	0.289	S	S	*	.	H	α-helix	trans	-67.7	-20.7	177.3	-71.1	171.2	0	0	0	113.6	L883 R978 Y980 Q984	L883-L982 HydrophobicContact CD2-CG 4.47Å; R978-L982 WeakPolarHBondContact O-CB 3.49Å; R978-L982 WeakPolarHBondContact O-CG 3.15Å; R978-L982 PolarHBondContact O-N 2.93Å; Y980-L982 PolarHBondContact O-N 3.24Å; L982-Q984 VanDerWaalsContact C-N 3.26Å
983	S	88.6	Confident	90.2	Very high	74 Å²	74	52.8 Å²	52.8	52%	0.517	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.2	172.3	76.3	0	0	0	0	113.3	A979 Y980 A981	A979-S983 PolarHBondContact O-N 3.45Å; A979-S983 VanDerWaalsContact O-N 3.13Å; Y980-S983 PolarHBondContact O-N 3.12Å; Y980-S983 VanDerWaalsContact O-N 3.13Å; Y980-S983 PolarHBondContact O-OG 3.2Å; A981-S983 PolarHBondContact O-N 3.25Å
984	Q	85.3	Confident	90.1	Very high	65 Å²	65	57.3 Å²	57.3	30%	0.304	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-22.7	-173.6	-55	-57.4	-54.8	0	0	113.7	T936 F937 Y980 A981 L982	T936-Q984 PolarHBondContact O-OE1 3.26Å; F937-Q984 HydrophobicContact CB-CB 3.9Å; F937-Q984 HydrophobicContact CD2-CB 3.82Å; F937-Q984 HydrophobicContact CD2-CG 4.15Å; F937-Q984 HydrophobicContact CG-CB 3.97Å; Y980-Q984 HydrophobicContact CD1-CG 4.35Å; Y980-Q984 HydrophobicContact CE1-CG 4.02Å; Y980-Q984 WeakPolarHBondContact O-CG 3.3Å; A981-Q984 PolarHBondContact O-N 3.14Å; L982-Q984 VanDerWaalsContact C-N 3.26Å
985	L	79.3	Confident	89.9	Confident	105 Å²	105	61.9 Å²	61.9	55%	0.55	34%	0.344	S	S	.	.			trans	-90	0	172.5	-71.4	171.9	0	0	0	110.4	L883 A933 F937 A981	L883-L985 HydrophobicContact CB-CD1 3.96Å; L883-L985 HydrophobicContact CD1-CD1 4.08Å; L883-L985 HydrophobicContact CD2-CD1 4.33Å; L883-L985 HydrophobicContact CG-CD1 4.35Å; A933-L985 HydrophobicContact CB-CD2 3.69Å; F937-L985 HydrophobicContact CD1-CD2 3.89Å; F937-L985 HydrophobicContact CD1-CG 3.98Å; F937-L985 HydrophobicContact CE1-CD1 4.28Å; F937-L985 HydrophobicContact CE1-CD2 4.35Å; F937-L985 HydrophobicContact CE1-CG 4.14Å; A981-L985 WeakPolarHBondContact O-CB 3.47Å; A981-L985 WeakPolarHBondContact O-CG 3.17Å; A981-L985 PolarHBondContact O-N 3.11Å

Retrieved 985 of 985 residues in 536.6 ms (Link to these results)

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