A0A087XY31_POEFO Loading...

protein kinase C

AlphaFold DB , UniProt , Accession A0A087XY31, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 958 aa.

						>A0A087XY31_POEFO|A0A087XY31
RKFDEPQMRQSHNQTDPNGLPVLQQLGLDQNSDFSDSSVQQRLDEHRERIRREIRKELKIKEGAENLRRAITDKRKGQQVDSQLRSSKRKLETLQAQLQELDAHIVVKGPDDNQDTTKSPGSVSRTSANQHRIAALERQLNIELKVKQGAENMIPIYSSGGTKDKKLLQTAQQMLQDSKTKIDIIRMQIRKAMQATEQSDDNQSNPDLCGVELRVEELWHHYRVEHAMAEGAKNMLRLLGAGKVQDKKAIAEAQCGLSESSQRLDLLRCSLEQRLQELPEDHPKACLIKEELVLASSSAFSSQQSTPYVHNQYSTLSKPSPLTGTLQVRLLGCVGLLDVVPGRSRGSQVALPSFSQTDGRSSFKLIGLYSRSTSSMSLKLPGKNDELSSEVSAVLKLENTMVGQTPWRTVGEQAWDHTFTVELERSREMEIAVYWRDYRSLCALKYLKLEEFLDNQRHQVQLELEPQGLLLAEVTFFNPVIERGRRLQRQKKVFSKQHGKAFLRARQMNVDIATWVRLLRNAIPTGSNTPAYTPNFSSNTIAHTTGYGNDCPEAREISVEKLNLDSDSPPKAETRKDVVDAPAPLVLLLSRVVRQLINQELGNPGFRKQDINLFDVVSLRASRGPLCLQDFKLIAVLGRGHFGKVLLSEYKKTGSQYAIKALKKGDIVARDEVESLMCEKRIFETVNSSHHPFLVNLFACFQTPEHVCFVMEYTAGGDLMMHIHADVFSEPRAVFYSACVVLGLQFLHDHKIVYRDLKLDNLLLDVEGFVKIADFGLCKEGMGYGDRTSTFCGTPEFLAPEVLTDTSYTRAVDWWGLGVLVYEMLVGESPFPGDDEEEVFDSIVNDEVRYPRFLSTEAIGIMRRLLRRNPERRLGSGEKDAEDVKKQPFFRGMDWDALLQRKVPPPFVPTIVGKEDVSNFDAEFTAEAPALTPPRERRAISRKEQDYFKDFDYVSDLC
					

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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	R	37	Very low	30.9	Very low	305 Å²	305	181 Å²	181	100%	1.151	85%	0.849	S	S	*	*				0	144.1	0	-75.7	176.2	173.1	166	-3.4	106.8
2	K	35.1	Very low	30.7	Very low	174 Å²	174	180 Å²	180	76%	0.757	84%	0.843	S	S	*	*			trans	-59.2	158.1	168.2	-52.4	177.4	175.4	-175.9	0	108.9
3	F	32.1	Very low	30.3	Very low	168 Å²	168	178.3 Å²	178.3	74%	0.737	84%	0.843	S	S	*	*			cis	-151.1	173.4	28.3	-71.6	-86.4	0	0	0	108
4	D	30.8	Very low	30.3	Very low	143 Å²	143	178.1 Å²	178.1	77%	0.765	84%	0.842	S	S	*	*			cis	-158.4	-160.9	-3.7	-117.4	-14.7	0	0	0	112.7
5	E	26.9	Very low	30.3	Very low	175 Å²	175	175.3 Å²	175.3	82%	0.818	84%	0.841	S	S	*	*			trans	-79.5	-177.5	-179.5	-78.9	-169.7	146.1	0	0	117
6	P	38.4	Very low	30.4	Very low	121 Å²	121	172.4 Å²	172.4	79%	0.786	83%	0.832	S	S	*	*			cis	-130.5	-176.1	-4.9	19.1	7	0	0	0	116.1
7	Q	29.4	Very low	30.8	Very low	179 Å²	179	167.3 Å²	167.3	84%	0.836	82%	0.815	S	S	*	*			trans	-76.5	146.3	175.3	-59.2	173.9	-5	0	0	114.7
8	M	26.5	Very low	31.6	Very low	186 Å²	186	165.8 Å²	165.8	92%	0.916	81%	0.812	S	S	*	*			trans	-140.3	132.7	138.5	-92	-158.4	178.7	0	0	110.4
9	R	28.3	Very low	32.1	Very low	243 Å²	243	160.9 Å²	160.9	92%	0.917	81%	0.809	S	S	*	*			trans	-90.9	125	168.5	-72.5	180	174.4	-177.4	-1.8	109.2
10	Q	28.8	Very low	33.2	Very low	183 Å²	183	157.5 Å²	157.5	86%	0.855	79%	0.793	S	S	*	*			trans	-125.5	134.6	153.2	-79.3	-169.8	-7.5	0	0	109.2
11	S	26.2	Very low	34.5	Very low	114 Å²	114	153.1 Å²	153.1	80%	0.797	78%	0.775	S	S	*	*			trans	-78.5	120.7	-177.5	46.4	0	0	0	0	111.4
12	H	28.6	Very low	35.8	Very low	169 Å²	169	138.7 Å²	138.7	78%	0.782	72%	0.721	S	S	*	*			trans	-79.3	115.3	162.4	-86.1	6	0	0	0	110.3
13	N	26.3	Very low	37.1	Very low	158 Å²	158	131.6 Å²	131.6	85%	0.845	69%	0.691	S	S	*	*			trans	-112.4	99.3	152.3	-87.5	-8.1	0	0	0	106.9
14	Q	29.6	Very low	38.7	Very low	176 Å²	176	129.3 Å²	129.3	82%	0.822	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-88.8	119.2	164.6	-78.2	-179	-18.7	0	0	108
15	T	30.7	Very low	40.3	Very low	136 Å²	136	126.8 Å²	126.8	83%	0.834	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-78.3	141	173.5	23.8	0	0	0	0	111.3
16	D	32	Very low	42	Very low	129 Å²	129	119.7 Å²	119.7	69%	0.69	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-72.8	123.4	-178.1	-155	-27.6	0	0	0	110.4	N18	D16-N18 VanDerWaalsContact C-N 3.27Å; D16-N18 PolarHBondContact O-N 3.35Å; D16-N18 PolarHBondContact OD1-ND2 3.27Å; D16-N18 VanDerWaalsContact OD1-ND2 3.14Å
17	P	37.1	Very low	43	Very low	85 Å²	85	117.2 Å²	117.2	55%	0.552	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-78	-1.9	-167.7	29.8	-36.6	0	0	0	115.4	G19 Q25	P17-G19 VanDerWaalsContact C-N 3.34Å; P17-G19 PolarHBondContact O-N 3.29Å; P17-Q25 PolarHBondContact O-NE2 3Å
18	N	44.3	Very low	44.6	Very low	140 Å²	140	109.5 Å²	109.5	75%	0.749	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-85.3	8.5	-168.1	-66.9	-60	0	0	0	115.7	D16	D16-N18 VanDerWaalsContact C-N 3.27Å; D16-N18 PolarHBondContact O-N 3.35Å; D16-N18 PolarHBondContact OD1-ND2 3.27Å; D16-N18 VanDerWaalsContact OD1-ND2 3.14Å
19	G	42.1	Very low	46.1	Very low	74 Å²	74	104.6 Å²	104.6	76%	0.763	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-115.4	3.4	-172.6	0	0	0	0	0	117.1	P17	P17-G19 VanDerWaalsContact C-N 3.34Å; P17-G19 PolarHBondContact O-N 3.29Å
20	L	53.5	Low	47.3	Very low	92 Å²	92	102.2 Å²	102.2	48%	0.482	57%	0.572	S	S	.	*	S	Bend	trans	-97.2	144.4	-176.4	-70.9	162.4	0	0	0	112	Q25	L20-Q25 HydrophobicContact CB-CG 4.01Å
21	P	61.4	Low	48.4	Very low	66 Å²	66	100.4 Å²	100.4	43%	0.429	57%	0.568	S	S	.	*			trans	-54.9	148.4	170.5	-24	33.9	0	0	0	112.4	L23 Q24 Q25	P21-L23 VanDerWaalsContact C-N 3.3Å; P21-L23 PolarHBondContact O-N 3.07Å; P21-Q24 HydrophobicContact CB-CB 4.43Å; P21-Q24 PolarHBondContact O-N 3.11Å; P21-Q25 PolarHBondContact O-N 3.41Å; P21-Q25 VanDerWaalsContact O-N 3.1Å
22	V	63	Low	49.7	Very low	2 Å²	2	96.2 Å²	96.2	1%	0.012	54%	0.538	C	S	.	.	H	α-helix	trans	-65	-36.7	-171.8	179.9	0	0	0	0	111.5	Q24 Q25 L26 Q97 E100 L101	V22-Q24 VanDerWaalsContact C-N 3.31Å; V22-Q24 PolarHBondContact O-N 3.31Å; V22-Q25 PolarHBondContact O-N 3.48Å; V22-L26 HydrophobicContact CG1-CD1 4.41Å; V22-L26 PolarHBondContact O-N 3.26Å; V22-L26 VanDerWaalsContact O-N 3.17Å; V22-Q97 HydrophobicContact CG2-CB 3.66Å; V22-Q97 HydrophobicContact CG2-CG 3.53Å; V22-E100 WeakPolarHBondContact CG2-OE2 3.41Å; V22-E100 PolarHBondContact N-OE1 3.16Å; V22-L101 HydrophobicContact CG1-CD1 3.99Å; V22-L101 HydrophobicContact CG1-CD2 3.91Å; V22-L101 HydrophobicContact CG1-CG 3.81Å
23	L	63.7	Low	51.1	Low	25 Å²	25	93 Å²	93	13%	0.131	53%	0.527	C	S	.	.	H	α-helix	trans	-61.1	-39.6	174.9	-60.5	176.1	0	0	0	111.9	P21 L26 G27 L28 F34 L43	P21-L23 VanDerWaalsContact C-N 3.3Å; P21-L23 PolarHBondContact O-N 3.07Å; L23-L26 WeakPolarHBondContact O-CA 3.39Å; L23-L26 WeakPolarHBondContact O-CB 3.46Å; L23-L26 PolarHBondContact O-N 3.31Å; L23-L26 VanDerWaalsContact O-N 3.1Å; L23-G27 PolarHBondContact O-N 3.04Å; L23-L28 CarbonylContact C-O 3.37Å; L23-L28 PolarHBondContact O-N 3.15Å; L23-F34 HydrophobicContact CD1-CZ 4.43Å; L23-F34 HydrophobicContact CD2-CE1 4.07Å; L23-L43 HydrophobicContact CD2-CD2 4.17Å
24	Q	64.8	Low	52.7	Low	120 Å²	120	87.6 Å²	87.6	56%	0.561	50%	0.496	S	S	*	.	H	α-helix	trans	-72.4	-31.4	179.3	-157.7	171.7	25.4	0	0	112.1	P21 V22 L26 G27	P21-Q24 HydrophobicContact CB-CB 4.43Å; P21-Q24 PolarHBondContact O-N 3.11Å; V22-Q24 VanDerWaalsContact C-N 3.31Å; V22-Q24 PolarHBondContact O-N 3.31Å; Q24-L26 PolarHBondContact O-N 3.43Å; Q24-G27 PolarHBondContact O-N 3.32Å
25	Q	64.8	Low	53.8	Low	89 Å²	89	82.8 Å²	82.8	42%	0.416	48%	0.482	S	S	.	.	H	α-helix	trans	-67.8	-21.8	169.5	-65.4	-174.4	-9.3	0	0	113.3	P17 L20 P21 V22	P17-Q25 PolarHBondContact O-NE2 3Å; L20-Q25 HydrophobicContact CB-CG 4.01Å; P21-Q25 PolarHBondContact O-N 3.41Å; P21-Q25 VanDerWaalsContact O-N 3.1Å; V22-Q25 PolarHBondContact O-N 3.48Å
26	L	62	Low	55.5	Low	27 Å²	27	79.4 Å²	79.4	14%	0.141	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-6	174.4	-79.4	166.3	0	0	0	113.6	V22 L23 Q24 L28 L43 H46 L101	V22-L26 HydrophobicContact CG1-CD1 4.41Å; V22-L26 PolarHBondContact O-N 3.26Å; V22-L26 VanDerWaalsContact O-N 3.17Å; L23-L26 WeakPolarHBondContact O-CA 3.39Å; L23-L26 WeakPolarHBondContact O-CB 3.46Å; L23-L26 PolarHBondContact O-N 3.31Å; L23-L26 VanDerWaalsContact O-N 3.1Å; Q24-L26 PolarHBondContact O-N 3.43Å; L26-L28 VanDerWaalsContact C-N 3.26Å; L26-L28 HydrophobicContact CB-CD1 3.99Å; L26-L28 HydrophobicContact CB-CG 4.03Å; L26-L28 HydrophobicContact CD1-CD1 4.25Å; L26-L43 HydrophobicContact CD1-CD2 3.81Å; L26-H46 HydrophobicContact CD1-CB 4.49Å; L26-H46 HydrophobicContact CD2-CB 4.42Å; L26-L101 HydrophobicContact CD1-CD2 4.1Å
27	G	59.6	Low	57	Low	68 Å²	68	77.7 Å²	77.7	70%	0.701	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	20.2	-172.9	0	0	0	0	0	113.8	L23 Q24	L23-G27 PolarHBondContact O-N 3.04Å; Q24-G27 PolarHBondContact O-N 3.32Å
28	L	62.5	Low	58.4	Low	17 Å²	17	76.2 Å²	76.2	9%	0.089	45%	0.448	C	S	.	.			trans	-96.9	131.7	176	-59.7	171.4	0	0	0	109.2	L23 L26 F34 V39 L43	L23-L28 CarbonylContact C-O 3.37Å; L23-L28 PolarHBondContact O-N 3.15Å; L26-L28 VanDerWaalsContact C-N 3.26Å; L26-L28 HydrophobicContact CB-CD1 3.99Å; L26-L28 HydrophobicContact CB-CG 4.03Å; L26-L28 HydrophobicContact CD1-CD1 4.25Å; L28-F34 HydrophobicContact CD1-CE1 4.26Å; L28-V39 HydrophobicContact CD1-CG1 3.85Å; L28-V39 HydrophobicContact CD2-CG1 3.93Å; L28-V39 HydrophobicContact CD2-CG2 4.14Å; L28-L43 HydrophobicContact CD1-CD2 4.06Å; L28-L43 HydrophobicContact CD1-CG 4.45Å
29	D	59.7	Low	59.6	Low	84 Å²	84	70.2 Å²	70.2	45%	0.449	42%	0.417	S	S	.	.			trans	-101.4	172.2	175.1	72.2	-25.2	0	0	0	111.4	N31 S32	D29-N31 PolarHBondContact O-N 3.34Å; D29-N31 VanDerWaalsContact O-N 3.09Å; D29-N31 PolarHBondContact OD2-ND2 3.26Å; D29-S32 PolarHBondContact N-OG 3.11Å; D29-S32 VanDerWaalsContact N-OG 3.15Å; D29-S32 WeakPolarHBondContact O-CB 3.42Å; D29-S32 PolarHBondContact O-N 3.07Å; D29-S32 VanDerWaalsContact O-N 3.09Å; D29-S32 PolarHBondContact O-OG 2.78Å; D29-S32 PolarHBondContact OD1-N 3.46Å; D29-S32 PolarHBondContact OD1-OG 3.23Å
30	Q	53.7	Low	60.9	Low	193 Å²	193	68 Å²	68	90%	0.902	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-8	-179.8	-67.6	-178.8	0.8	0	0	113.8
31	N	50.2	Low	61.9	Low	145 Å²	145	69.2 Å²	69.2	78%	0.775	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-0.5	176.2	-55.7	-45	0	0	0	113	D29	D29-N31 PolarHBondContact O-N 3.34Å; D29-N31 VanDerWaalsContact O-N 3.09Å; D29-N31 PolarHBondContact OD2-ND2 3.26Å
32	S	53.7	Low	62.4	Low	26 Å²	26	72.3 Å²	72.3	18%	0.182	39%	0.393	C	S	.	.	S	Bend	trans	-67.4	135.4	179.2	-70.9	0	0	0	0	111.1	D29 F34	D29-S32 PolarHBondContact N-OG 3.11Å; D29-S32 VanDerWaalsContact N-OG 3.15Å; D29-S32 WeakPolarHBondContact O-CB 3.42Å; D29-S32 PolarHBondContact O-N 3.07Å; D29-S32 VanDerWaalsContact O-N 3.09Å; D29-S32 PolarHBondContact O-OG 2.78Å; D29-S32 PolarHBondContact OD1-N 3.46Å; D29-S32 PolarHBondContact OD1-OG 3.23Å; S32-F34 WeakPolarHBondContact O-CD2 3.33Å; S32-F34 VanDerWaalsContact O-CE2 3.3Å; S32-F34 WeakPolarHBondContact O-CE2 3.2Å; S32-F34 PolarHBondContact O-N 3.29Å
33	D	58.3	Low	62.9	Low	102 Å²	102	72.2 Å²	72.2	55%	0.545	39%	0.392	S	S	.	.			trans	-75.8	97.6	176.4	-173.4	-5.3	0	0	0	110.7	S35 D36	D33-S35 VanDerWaalsContact CG-OG 3.31Å; D33-S35 PolarHBondContact O-N 3.07Å; D33-S35 VanDerWaalsContact O-N 3.16Å; D33-S35 WeakPolarHBondContact OD1-CA 3.35Å; D33-S35 VanDerWaalsContact OD1-CB 3.27Å; D33-S35 WeakPolarHBondContact OD1-CB 3.4Å; D33-S35 PolarHBondContact OD1-N 3.34Å; D33-S35 PolarHBondContact OD1-OG 2.9Å; D33-S35 PolarHBondContact OD2-OG 2.88Å; D33-D36 PolarHBondContact O-N 3.28Å
34	F	59.1	Low	63.3	Low	44 Å²	44	73.6 Å²	73.6	19%	0.193	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-4.6	177.5	-61.9	-74.9	0	0	0	114	L23 L28 S32 V39 L43 H104	L23-F34 HydrophobicContact CD1-CZ 4.43Å; L23-F34 HydrophobicContact CD2-CE1 4.07Å; L28-F34 HydrophobicContact CD1-CE1 4.26Å; S32-F34 WeakPolarHBondContact O-CD2 3.33Å; S32-F34 VanDerWaalsContact O-CE2 3.3Å; S32-F34 WeakPolarHBondContact O-CE2 3.2Å; S32-F34 PolarHBondContact O-N 3.29Å; F34-V39 HydrophobicContact CD1-CG1 4.15Å; F34-L43 HydrophobicContact CD1-CD1 4.12Å; F34-H104 HydrophobicContact CD1-CB 4.45Å
35	S	53.7	Low	64	Low	74 Å²	74	72.7 Å²	72.7	52%	0.517	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-12	173.1	79.3	0	0	0	0	113.9	D33 S37	D33-S35 VanDerWaalsContact CG-OG 3.31Å; D33-S35 PolarHBondContact O-N 3.07Å; D33-S35 VanDerWaalsContact O-N 3.16Å; D33-S35 WeakPolarHBondContact OD1-CA 3.35Å; D33-S35 VanDerWaalsContact OD1-CB 3.27Å; D33-S35 WeakPolarHBondContact OD1-CB 3.4Å; D33-S35 PolarHBondContact OD1-N 3.34Å; D33-S35 PolarHBondContact OD1-OG 2.9Å; D33-S35 PolarHBondContact OD2-OG 2.88Å; S35-S37 PolarHBondContact O-N 3.05Å
36	D	66.9	Low	64.6	Low	66 Å²	66	69.9 Å²	69.9	35%	0.353	38%	0.382	S	S	.	.	S	Bend	trans	-64.4	128.6	175	174.4	20.9	0	0	0	111.2	D33 S38 V39 Q40	D33-D36 PolarHBondContact O-N 3.28Å; D36-S38 PolarHBondContact O-N 3.36Å; D36-S38 VanDerWaalsContact O-N 3.16Å; D36-S38 PolarHBondContact OD1-N 3.25Å; D36-S38 VanDerWaalsContact OD2-CB 3.29Å; D36-S38 WeakPolarHBondContact OD2-CB 3.24Å; D36-S38 PolarHBondContact OD2-OG 3.17Å; D36-V39 HydrophobicContact CB-CB 4.28Å; D36-V39 HydrophobicContact CB-CG2 4.06Å; D36-V39 PolarHBondContact O-N 2.99Å; D36-V39 VanDerWaalsContact O-N 3.1Å; D36-Q40 WeakPolarHBondContact O-CB 3.45Å; D36-Q40 PolarHBondContact O-N 3.39Å
37	S	63.3	Low	65.4	Low	92 Å²	92	70.9 Å²	70.9	64%	0.643	38%	0.384	S	S	*	.	H	α-helix	trans	-55.4	-30.9	174.7	-170.9	0	0	0	0	113	S35 Q41	S35-S37 PolarHBondContact O-N 3.05Å; S37-Q41 WeakPolarHBondContact O-CB 3.19Å; S37-Q41 PolarHBondContact O-N 2.92Å; S37-Q41 VanDerWaalsContact O-N 3.08Å
38	S	66.6	Low	66.2	Low	55 Å²	55	70.8 Å²	70.8	39%	0.385	37%	0.366	S	S	.	.	H	α-helix	trans	-74.2	-34.8	179.1	98.5	0	0	0	0	112.6	D36 R42	D36-S38 PolarHBondContact O-N 3.36Å; D36-S38 VanDerWaalsContact O-N 3.16Å; D36-S38 PolarHBondContact OD1-N 3.25Å; D36-S38 VanDerWaalsContact OD2-CB 3.29Å; D36-S38 WeakPolarHBondContact OD2-CB 3.24Å; D36-S38 PolarHBondContact OD2-OG 3.17Å; S38-R42 WeakPolarHBondContact O-CG 3.34Å; S38-R42 PolarHBondContact O-N 3.47Å
39	V	69.8	Low	67.2	Low	14 Å²	14	75.7 Å²	75.7	9%	0.085	38%	0.383	C	S	.	.	H	α-helix	trans	-73.6	-46.8	174.5	176.1	0	0	0	0	110.1	L28 F34 D36 Q41 R42 L43	L28-V39 HydrophobicContact CD1-CG1 3.85Å; L28-V39 HydrophobicContact CD2-CG1 3.93Å; L28-V39 HydrophobicContact CD2-CG2 4.14Å; F34-V39 HydrophobicContact CD1-CG1 4.15Å; D36-V39 HydrophobicContact CB-CB 4.28Å; D36-V39 HydrophobicContact CB-CG2 4.06Å; D36-V39 PolarHBondContact O-N 2.99Å; D36-V39 VanDerWaalsContact O-N 3.1Å; V39-Q41 VanDerWaalsContact C-N 3.33Å; V39-Q41 PolarHBondContact O-N 2.91Å; V39-R42 WeakPolarHBondContact O-CB 3.29Å; V39-R42 PolarHBondContact O-N 3.17Å; V39-R42 VanDerWaalsContact O-N 3.08Å; V39-L43 HydrophobicContact CG1-CD1 4.04Å; V39-L43 HydrophobicContact CG1-CG 4.43Å; V39-L43 WeakPolarHBondContact O-CG 3.44Å; V39-L43 PolarHBondContact O-N 3.34Å
40	Q	69.3	Low	68.2	Low	27 Å²	27	72.4 Å²	72.4	13%	0.126	37%	0.365	C	S	.	.	H	α-helix	trans	-57.8	-42.8	178.2	-175.5	52.7	57.1	0	0	112	D36 R42 L43 D44 I105	D36-Q40 WeakPolarHBondContact O-CB 3.45Å; D36-Q40 PolarHBondContact O-N 3.39Å; Q40-R42 PolarHBondContact O-N 2.74Å; Q40-L43 PolarHBondContact O-N 3.41Å; Q40-D44 PolarHBondContact NE2-OD2 3.47Å; Q40-D44 PolarHBondContact O-N 2.75Å; Q40-I105 VanDerWaalsContact NE2-CG2 3.32Å
41	Q	73.3	Confident	69.3	Low	117 Å²	117	66.8 Å²	66.8	55%	0.547	34%	0.336	S	S	.	.	H	α-helix	trans	-60.9	-42.5	174.6	-176.1	-179.3	-18.3	0	0	112.5	S37 V39 D44 E45	S37-Q41 WeakPolarHBondContact O-CB 3.19Å; S37-Q41 PolarHBondContact O-N 2.92Å; S37-Q41 VanDerWaalsContact O-N 3.08Å; V39-Q41 VanDerWaalsContact C-N 3.33Å; V39-Q41 PolarHBondContact O-N 2.91Å; Q41-D44 PolarHBondContact O-N 3.24Å; Q41-E45 PolarHBondContact NE2-OE1 3.31Å; Q41-E45 WeakPolarHBondContact O-CG 3.42Å; Q41-E45 PolarHBondContact O-N 2.7Å
42	R	73.1	Confident	70.8	Confident	132 Å²	132	65.8 Å²	65.8	50%	0.498	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-39.6	178.1	-69.3	172.7	-172.7	-172.2	6.4	112.1	S38 V39 Q40 E45 H46	S38-R42 WeakPolarHBondContact O-CG 3.34Å; S38-R42 PolarHBondContact O-N 3.47Å; V39-R42 WeakPolarHBondContact O-CB 3.29Å; V39-R42 PolarHBondContact O-N 3.17Å; V39-R42 VanDerWaalsContact O-N 3.08Å; Q40-R42 PolarHBondContact O-N 2.74Å; R42-E45 PolarHBondContact O-N 3.26Å; R42-H46 PolarHBondContact O-N 3.19Å
43	L	72.7	Confident	72.2	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-62.6	-43.9	174.8	-68.2	168.9	0	0	0	111	L23 L26 L28 F34 V39 Q40 H46 R47 L101 I105	L23-L43 HydrophobicContact CD2-CD2 4.17Å; L26-L43 HydrophobicContact CD1-CD2 3.81Å; L28-L43 HydrophobicContact CD1-CD2 4.06Å; L28-L43 HydrophobicContact CD1-CG 4.45Å; F34-L43 HydrophobicContact CD1-CD1 4.12Å; V39-L43 HydrophobicContact CG1-CD1 4.04Å; V39-L43 HydrophobicContact CG1-CG 4.43Å; V39-L43 WeakPolarHBondContact O-CG 3.44Å; V39-L43 PolarHBondContact O-N 3.34Å; Q40-L43 PolarHBondContact O-N 3.41Å; L43-H46 PolarHBondContact O-N 3.39Å; L43-R47 VanDerWaalsContact O-CB 3.3Å; L43-R47 WeakPolarHBondContact O-CB 3.3Å; L43-R47 PolarHBondContact O-N 3.05Å; L43-L101 HydrophobicContact CD2-CD2 3.49Å; L43-L101 VanDerWaalsContact CD2-CD2 3.49Å; L43-I105 HydrophobicContact CB-CD1 4.04Å; L43-I105 HydrophobicContact CB-CG1 3.73Å; L43-I105 HydrophobicContact CD1-CG1 4.36Å
44	D	73.3	Confident	73.3	Confident	53 Å²	53	63.3 Å²	63.3	28%	0.283	30%	0.304	S	S	.	.	H	α-helix	trans	-65.5	-41.1	176.7	-91.9	-54.5	0	0	0	113.6	Q40 Q41 H46 R47 E48	Q40-D44 PolarHBondContact NE2-OD2 3.47Å; Q40-D44 PolarHBondContact O-N 2.75Å; Q41-D44 PolarHBondContact O-N 3.24Å; D44-H46 VanDerWaalsContact C-N 3.34Å; D44-H46 PolarHBondContact O-N 3.02Å; D44-R47 WeakPolarHBondContact O-CB 3.5Å; D44-R47 PolarHBondContact O-N 3.11Å; D44-R47 IonicContact OD1-CZ 3.14Å; D44-R47 IonicContact OD1-NE 2.78Å; D44-R47 PolarHBondContact OD1-NE 2.81Å; D44-R47 IonicContact OD1-NH2 2.79Å; D44-R47 PolarHBondContact OD1-NH2 2.71Å; D44-E48 PolarHBondContact O-N 3.25Å
45	E	77.8	Confident	74.3	Confident	101 Å²	101	67.4 Å²	67.4	47%	0.472	32%	0.318	S	S	.	.	H	α-helix	trans	-63.7	-38.6	174.5	-75.7	179.1	-160.9	0	0	112.3	Q41 R42 R49	Q41-E45 PolarHBondContact NE2-OE1 3.31Å; Q41-E45 WeakPolarHBondContact O-CG 3.42Å; Q41-E45 PolarHBondContact O-N 2.7Å; R42-E45 PolarHBondContact O-N 3.26Å; E45-R49 WeakPolarHBondContact O-CB 3.39Å; E45-R49 PolarHBondContact O-N 3.06Å; E45-R49 VanDerWaalsContact O-N 3.09Å
46	H	77.9	Confident	75.8	Confident	31 Å²	31	69.2 Å²	69.2	14%	0.144	32%	0.317	C	S	.	.	H	α-helix	trans	-70.3	-40.7	172.9	-98.7	-121	0	0	0	112.3	L26 R42 L43 D44 E48 R49 I50 L101	L26-H46 HydrophobicContact CD1-CB 4.49Å; L26-H46 HydrophobicContact CD2-CB 4.42Å; R42-H46 PolarHBondContact O-N 3.19Å; L43-H46 PolarHBondContact O-N 3.39Å; D44-H46 VanDerWaalsContact C-N 3.34Å; D44-H46 PolarHBondContact O-N 3.02Å; H46-E48 PolarHBondContact O-N 3.18Å; H46-R49 PolarHBondContact CD2-NH2 3.2Å; H46-R49 VanDerWaalsContact CD2-NH2 3.29Å; H46-R49 PolarHBondContact CE1-NH1 2.79Å; H46-R49 PolarHBondContact NE2-NH1 3.45Å; H46-R49 PolarHBondContact NE2-NH2 3.21Å; H46-R49 VanDerWaalsContact NE2-NH2 3.12Å; H46-R49 WeakPolarHBondContact O-CA 3.14Å; H46-R49 VanDerWaalsContact O-CB 3.28Å; H46-R49 WeakPolarHBondContact O-CB 3.15Å; H46-R49 PolarHBondContact O-N 3.1Å; H46-R49 VanDerWaalsContact O-N 3.07Å; H46-I50 WeakPolarHBondContact O-CG1 3.1Å; H46-I50 PolarHBondContact O-N 3.27Å; H46-L101 HydrophobicContact CB-CD1 4.07Å
47	R	80	Confident	76.8	Confident	47 Å²	47	66.7 Å²	66.7	18%	0.177	30%	0.302	C	S	.	.	H	α-helix	trans	-56	-48.8	174.4	176.3	168.3	74.9	160.8	-2.5	111.6	L43 D44 R49 I50 R51 L98 D102 I105	L43-R47 VanDerWaalsContact O-CB 3.3Å; L43-R47 WeakPolarHBondContact O-CB 3.3Å; L43-R47 PolarHBondContact O-N 3.05Å; D44-R47 WeakPolarHBondContact O-CB 3.5Å; D44-R47 PolarHBondContact O-N 3.11Å; D44-R47 IonicContact OD1-CZ 3.14Å; D44-R47 IonicContact OD1-NE 2.78Å; D44-R47 PolarHBondContact OD1-NE 2.81Å; D44-R47 IonicContact OD1-NH2 2.79Å; D44-R47 PolarHBondContact OD1-NH2 2.71Å; R47-R49 VanDerWaalsContact C-N 3.28Å; R47-R49 PolarHBondContact O-N 2.67Å; R47-I50 PolarHBondContact O-N 3.04Å; R47-R51 WeakPolarHBondContact O-CG 3.46Å; R47-R51 PolarHBondContact O-N 3.43Å; R47-L98 HydrophobicContact CG-CD1 3.81Å; R47-D102 WeakPolarHBondContact CD-OD1 3.44Å; R47-D102 IonicContact CZ-OD1 2.83Å; R47-D102 IonicContact NE-OD1 3.96Å; R47-D102 IonicContact NH1-OD1 3.61Å; R47-D102 PolarHBondContact NH1-OD1 2.97Å; R47-I105 HydrophobicContact CB-CD1 3.98Å; R47-I105 HydrophobicContact CG-CD1 4.36Å
48	E	76.3	Confident	77.7	Confident	67 Å²	67	66.2 Å²	66.2	31%	0.313	29%	0.292	S	S	.	.	H	α-helix	trans	-73.8	-20.4	178.6	-166.2	53	-145.1	0	0	112.5	D44 H46 R51 R52 R55	D44-E48 PolarHBondContact O-N 3.25Å; H46-E48 PolarHBondContact O-N 3.18Å; E48-R51 WeakPolarHBondContact OE2-CD 3.36Å; E48-R52 WeakPolarHBondContact O-CB 3.31Å; E48-R52 VanDerWaalsContact O-CG 3.27Å; E48-R52 WeakPolarHBondContact O-CG 3.4Å; E48-R52 PolarHBondContact O-N 3.42Å; E48-R52 VanDerWaalsContact O-N 3.12Å; E48-R52 PolarHBondContact O-NE 2.88Å; E48-R55 IonicContact OE1-CZ 3.97Å; E48-R55 IonicContact OE1-NH1 3.26Å; E48-R55 PolarHBondContact OE1-NH1 3.16Å; E48-R55 IonicContact OE1-NH2 2.93Å; E48-R55 PolarHBondContact OE1-NH2 3.42Å; E48-R55 IonicContact OE2-NH2 3.62Å
49	R	82	Confident	78.4	Confident	120 Å²	120	71 Å²	71	45%	0.453	31%	0.306	S	S	.	.	H	α-helix	trans	-66.8	-48.9	167	-166.5	-173.2	-57.9	170.3	8	111.2	E45 H46 R47 R52 E53	E45-R49 WeakPolarHBondContact O-CB 3.39Å; E45-R49 PolarHBondContact O-N 3.06Å; E45-R49 VanDerWaalsContact O-N 3.09Å; H46-R49 PolarHBondContact CD2-NH2 3.2Å; H46-R49 VanDerWaalsContact CD2-NH2 3.29Å; H46-R49 PolarHBondContact CE1-NH1 2.79Å; H46-R49 PolarHBondContact NE2-NH1 3.45Å; H46-R49 PolarHBondContact NE2-NH2 3.21Å; H46-R49 VanDerWaalsContact NE2-NH2 3.12Å; H46-R49 WeakPolarHBondContact O-CA 3.14Å; H46-R49 VanDerWaalsContact O-CB 3.28Å; H46-R49 WeakPolarHBondContact O-CB 3.15Å; H46-R49 PolarHBondContact O-N 3.1Å; H46-R49 VanDerWaalsContact O-N 3.07Å; R47-R49 VanDerWaalsContact C-N 3.28Å; R47-R49 PolarHBondContact O-N 2.67Å; R49-R52 PolarHBondContact O-N 3.15Å; R49-E53 PolarHBondContact O-N 2.86Å
50	I	81.1	Confident	79.1	Confident	14 Å²	14	73.8 Å²	73.8	7%	0.072	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-43.8	178.5	-63.3	-171.2	0	0	0	110.8	H46 R47 R52 E53 I54 L94 Q97 L98 L101	H46-I50 WeakPolarHBondContact O-CG1 3.1Å; H46-I50 PolarHBondContact O-N 3.27Å; R47-I50 PolarHBondContact O-N 3.04Å; I50-R52 VanDerWaalsContact C-N 3.29Å; I50-R52 PolarHBondContact O-N 3.49Å; I50-E53 PolarHBondContact O-N 2.81Å; I50-E53 VanDerWaalsContact O-N 3.09Å; I50-I54 HydrophobicContact CG2-CD1 3.92Å; I50-I54 HydrophobicContact CG2-CG1 4.34Å; I50-I54 WeakPolarHBondContact O-CG1 3.47Å; I50-I54 PolarHBondContact O-N 3.49Å; I50-L94 HydrophobicContact CG2-CB 4.31Å; I50-L94 HydrophobicContact CG2-CD2 4.17Å; I50-L94 WeakPolarHBondContact CG2-O 3.44Å; I50-Q97 HydrophobicContact CD1-CB 3.71Å; I50-L98 HydrophobicContact CG2-CB 3.93Å; I50-L98 HydrophobicContact CG2-CD1 4.5Å; I50-L101 HydrophobicContact CD1-CD1 3.75Å
51	R	76.6	Confident	79.9	Confident	75 Å²	75	75.5 Å²	75.5	28%	0.283	33%	0.327	S	S	.	.	H	α-helix	trans	-57.5	-39.1	173.7	-71.6	173.9	177.9	174.7	1.5	112.4	R47 E48 R55 L98 D102	R47-R51 WeakPolarHBondContact O-CG 3.46Å; R47-R51 PolarHBondContact O-N 3.43Å; E48-R51 WeakPolarHBondContact OE2-CD 3.36Å; R51-R55 VanDerWaalsContact O-CG 3.29Å; R51-R55 WeakPolarHBondContact O-CG 3.45Å; R51-R55 PolarHBondContact O-N 3.45Å; R51-R55 VanDerWaalsContact O-N 3.07Å; R51-L98 HydrophobicContact CG-CD1 4Å; R51-L98 HydrophobicContact CG-CD2 4.09Å; R51-D102 IonicContact NH2-OD1 3.28Å; R51-D102 IonicContact NH2-OD2 2.78Å; R51-D102 PolarHBondContact NH2-OD2 3.41Å
52	R	82.4	Confident	80.4	Confident	125 Å²	125	75.6 Å²	75.6	47%	0.472	33%	0.327	S	S	.	.	H	α-helix	trans	-65.7	-41	173.3	-79.3	176.1	-69.8	154.5	-6.3	112.9	E48 R49 I50 R55 K56	E48-R52 WeakPolarHBondContact O-CB 3.31Å; E48-R52 VanDerWaalsContact O-CG 3.27Å; E48-R52 WeakPolarHBondContact O-CG 3.4Å; E48-R52 PolarHBondContact O-N 3.42Å; E48-R52 VanDerWaalsContact O-N 3.12Å; E48-R52 PolarHBondContact O-NE 2.88Å; R49-R52 PolarHBondContact O-N 3.15Å; I50-R52 VanDerWaalsContact C-N 3.29Å; I50-R52 PolarHBondContact O-N 3.49Å; R52-R55 PolarHBondContact O-N 2.95Å; R52-K56 WeakPolarHBondContact O-CG 3.27Å; R52-K56 PolarHBondContact O-N 2.88Å
53	E	82.4	Confident	80.7	Confident	56 Å²	56	70.9 Å²	70.9	26%	0.262	32%	0.32	S	S	.	.	H	α-helix	trans	-68.3	-38.9	175.9	-70.1	-52.1	132.6	0	0	112.7	R49 I50 R55 K56 E57 L94	R49-E53 PolarHBondContact O-N 2.86Å; I50-E53 PolarHBondContact O-N 2.81Å; I50-E53 VanDerWaalsContact O-N 3.09Å; E53-R55 VanDerWaalsContact C-N 3.34Å; E53-R55 PolarHBondContact O-N 3.22Å; E53-K56 PolarHBondContact O-N 3.23Å; E53-K56 VanDerWaalsContact O-N 3.16Å; E53-K56 WeakPolarHBondContact OE1-CD 3.41Å; E53-K56 WeakPolarHBondContact OE1-CE 3.39Å; E53-K56 IonicContact OE1-NZ 2.69Å; E53-K56 PolarHBondContact OE1-NZ 2.97Å; E53-K56 WeakPolarHBondContact OE2-CD 3.3Å; E53-K56 IonicContact OE2-NZ 3.67Å; E53-E57 WeakPolarHBondContact O-CB 3.31Å; E53-E57 PolarHBondContact O-N 3.35Å; E53-L94 HydrophobicContact CB-CD1 4.03Å; E53-L94 HydrophobicContact CB-CD2 4.22Å
54	I	82.2	Confident	81.1	Confident	20 Å²	20	71 Å²	71	10%	0.103	32%	0.321	C	S	.	.	H	α-helix	trans	-58.8	-45.5	172.2	-67.7	169.7	0	0	0	110.6	I50 K56 E57 L58 L91 L94 Q95 L98	I50-I54 HydrophobicContact CG2-CD1 3.92Å; I50-I54 HydrophobicContact CG2-CG1 4.34Å; I50-I54 WeakPolarHBondContact O-CG1 3.47Å; I50-I54 PolarHBondContact O-N 3.49Å; I54-K56 VanDerWaalsContact C-N 3.32Å; I54-K56 PolarHBondContact O-N 3.1Å; I54-E57 PolarHBondContact O-N 3.25Å; I54-L58 HydrophobicContact CG2-CD1 3.91Å; I54-L58 HydrophobicContact CG2-CG 4.41Å; I54-L58 WeakPolarHBondContact O-CB 3.39Å; I54-L58 WeakPolarHBondContact O-CG 3.28Å; I54-L58 PolarHBondContact O-N 2.85Å; I54-L91 HydrophobicContact CG2-CD2 4.17Å; I54-L94 HydrophobicContact CD1-CB 4.15Å; I54-L94 HydrophobicContact CG1-CB 3.63Å; I54-L94 HydrophobicContact CG1-CD1 4.22Å; I54-L94 HydrophobicContact CG1-CG 4.5Å; I54-Q95 HydrophobicContact CD1-CG 4.37Å; I54-L98 HydrophobicContact CD1-CB 4.36Å; I54-L98 HydrophobicContact CD1-CD2 3.85Å
55	R	79.9	Confident	81.4	Confident	129 Å²	129	71.6 Å²	71.6	49%	0.487	32%	0.322	S	S	.	.	H	α-helix	trans	-62.3	-35.6	176.3	-70.3	176.1	-161.1	128.8	1.5	112.7	E48 R51 R52 E53 K59	E48-R55 IonicContact OE1-CZ 3.97Å; E48-R55 IonicContact OE1-NH1 3.26Å; E48-R55 PolarHBondContact OE1-NH1 3.16Å; E48-R55 IonicContact OE1-NH2 2.93Å; E48-R55 PolarHBondContact OE1-NH2 3.42Å; E48-R55 IonicContact OE2-NH2 3.62Å; R51-R55 VanDerWaalsContact O-CG 3.29Å; R51-R55 WeakPolarHBondContact O-CG 3.45Å; R51-R55 PolarHBondContact O-N 3.45Å; R51-R55 VanDerWaalsContact O-N 3.07Å; R52-R55 PolarHBondContact O-N 2.95Å; E53-R55 VanDerWaalsContact C-N 3.34Å; E53-R55 PolarHBondContact O-N 3.22Å; R55-K59 WeakPolarHBondContact O-CG 3.27Å; R55-K59 PolarHBondContact O-N 3.38Å
56	K	85.4	Confident	81.6	Confident	113 Å²	113	70.3 Å²	70.3	49%	0.491	32%	0.318	S	S	.	.	H	α-helix	trans	-69.3	-47.4	174	-72.3	173.4	-176.3	175.2	0	111.5	R52 E53 I54 L58 K59 I60	R52-K56 WeakPolarHBondContact O-CG 3.27Å; R52-K56 PolarHBondContact O-N 2.88Å; E53-K56 PolarHBondContact O-N 3.23Å; E53-K56 VanDerWaalsContact O-N 3.16Å; E53-K56 WeakPolarHBondContact OE1-CD 3.41Å; E53-K56 WeakPolarHBondContact OE1-CE 3.39Å; E53-K56 IonicContact OE1-NZ 2.69Å; E53-K56 PolarHBondContact OE1-NZ 2.97Å; E53-K56 WeakPolarHBondContact OE2-CD 3.3Å; E53-K56 IonicContact OE2-NZ 3.67Å; I54-K56 VanDerWaalsContact C-N 3.32Å; I54-K56 PolarHBondContact O-N 3.1Å; K56-L58 VanDerWaalsContact C-N 3.34Å; K56-L58 PolarHBondContact O-N 2.7Å; K56-K59 WeakPolarHBondContact O-CB 3.38Å; K56-K59 PolarHBondContact O-N 2.88Å; K56-K59 VanDerWaalsContact O-N 3.13Å; K56-I60 WeakPolarHBondContact O-CG1 3.47Å; K56-I60 PolarHBondContact O-N 3.1Å
57	E	87.6	Confident	81.6	Confident	12 Å²	12	73.3 Å²	73.3	6%	0.056	34%	0.335	C	S	.	.	H	α-helix	trans	-65.8	-37.5	-176.7	-159.6	58.9	-131.2	0	0	111.6	E53 I54 K59 I60 K61 S87 K90 L91	E53-E57 WeakPolarHBondContact O-CB 3.31Å; E53-E57 PolarHBondContact O-N 3.35Å; I54-E57 PolarHBondContact O-N 3.25Å; E57-K59 PolarHBondContact O-N 2.98Å; E57-I60 PolarHBondContact O-N 3.49Å; E57-K61 WeakPolarHBondContact O-CB 3.4Å; E57-K61 PolarHBondContact O-N 3.1Å; E57-S87 WeakPolarHBondContact OE1-CA 3.39Å; E57-S87 WeakPolarHBondContact OE1-CB 3.31Å; E57-S87 PolarHBondContact OE1-OG 2.95Å; E57-K90 HydrophobicContact CG-CB 4.47Å; E57-K90 HydrophobicContact CG-CD 4.41Å; E57-K90 HydrophobicContact CG-CG 4.44Å; E57-K90 WeakPolarHBondContact OE2-CD 3.4Å; E57-K90 WeakPolarHBondContact OE2-CE 3.31Å; E57-K90 IonicContact OE2-NZ 2.66Å; E57-K90 PolarHBondContact OE2-NZ 2.73Å; E57-L91 HydrophobicContact CB-CD1 4.39Å; E57-L91 HydrophobicContact CB-CG 4.47Å; E57-L91 HydrophobicContact CG-CD1 4.2Å; E57-L91 HydrophobicContact CG-CG 4.34Å
58	L	81.6	Confident	81.7	Confident	82 Å²	82	77.8 Å²	77.8	43%	0.429	35%	0.352	S	S	.	.	H	α-helix	trans	-59.5	-41.9	170.8	-77.2	168.8	0	0	0	112.6	I54 K56 K61 E62 L91	I54-L58 HydrophobicContact CG2-CD1 3.91Å; I54-L58 HydrophobicContact CG2-CG 4.41Å; I54-L58 WeakPolarHBondContact O-CB 3.39Å; I54-L58 WeakPolarHBondContact O-CG 3.28Å; I54-L58 PolarHBondContact O-N 2.85Å; K56-L58 VanDerWaalsContact C-N 3.34Å; K56-L58 PolarHBondContact O-N 2.7Å; L58-K61 PolarHBondContact O-N 3.45Å; L58-E62 WeakPolarHBondContact O-CB 3.41Å; L58-E62 PolarHBondContact O-N 3.19Å; L58-L91 HydrophobicContact CD2-CD1 3.75Å; L58-L91 HydrophobicContact CD2-CD2 4.1Å; L58-L91 HydrophobicContact CG-CD1 4.04Å; L58-L91 HydrophobicContact CG-CD2 4.24Å
59	K	82.3	Confident	81.7	Confident	156 Å²	156	83.3 Å²	83.3	68%	0.678	37%	0.37	S	S	*	.	H	α-helix	trans	-66.9	-36.8	175.2	-73.1	-178.1	176.1	-171.5	0	112.6	R55 K56 E57 G63	R55-K59 WeakPolarHBondContact O-CG 3.27Å; R55-K59 PolarHBondContact O-N 3.38Å; K56-K59 WeakPolarHBondContact O-CB 3.38Å; K56-K59 PolarHBondContact O-N 2.88Å; K56-K59 VanDerWaalsContact O-N 3.13Å; E57-K59 PolarHBondContact O-N 2.98Å; K59-G63 PolarHBondContact O-N 3.01Å
60	I	83.6	Confident	81.4	Confident	73 Å²	73	81.3 Å²	81.3	37%	0.374	38%	0.379	S	S	.	.	H	α-helix	trans	-64.5	-44.6	174.4	-67.2	166.3	0	0	0	110	K56 E57 G63 A64	K56-I60 WeakPolarHBondContact O-CG1 3.47Å; K56-I60 PolarHBondContact O-N 3.1Å; E57-I60 PolarHBondContact O-N 3.49Å; I60-G63 PolarHBondContact O-N 3.05Å; I60-A64 WeakPolarHBondContact O-CB 3.46Å; I60-A64 PolarHBondContact O-N 3.41Å
61	K	86.6	Confident	81.3	Confident	62 Å²	62	83 Å²	83	27%	0.27	39%	0.388	S	S	.	.	H	α-helix	trans	-60.7	-48.8	175.5	-171.1	-169.7	171.4	-152.1	0	111.7	E57 L58 G63 A64 E65 L84 L91	E57-K61 WeakPolarHBondContact O-CB 3.4Å; E57-K61 PolarHBondContact O-N 3.1Å; L58-K61 PolarHBondContact O-N 3.45Å; K61-G63 PolarHBondContact O-N 3.21Å; K61-A64 CarbonylContact O-C 3.57Å; K61-A64 PolarHBondContact O-N 3.11Å; K61-E65 WeakPolarHBondContact CE-OE1 3.5Å; K61-E65 IonicContact NZ-OE1 3.5Å; K61-E65 WeakPolarHBondContact O-CG 3.5Å; K61-E65 PolarHBondContact O-N 3.22Å; K61-L84 HydrophobicContact CG-CD2 3.87Å; K61-L91 HydrophobicContact CD-CD1 4.24Å
62	E	82.8	Confident	80.9	Confident	120 Å²	120	86.5 Å²	86.5	56%	0.561	42%	0.418	S	S	*	.	H	α-helix	trans	-59.7	-45.5	177.5	-176.3	-177.9	-173.2	0	0	111.9	L58 A64 E65 N66	L58-E62 WeakPolarHBondContact O-CB 3.41Å; L58-E62 PolarHBondContact O-N 3.19Å; E62-A64 VanDerWaalsContact C-N 3.34Å; E62-A64 PolarHBondContact O-N 3.01Å; E62-E65 PolarHBondContact O-N 3.19Å; E62-N66 PolarHBondContact O-N 2.84Å; E62-N66 PolarHBondContact O-ND2 2.9Å
63	G	80.4	Confident	80.5	Confident	33 Å²	33	83.8 Å²	83.8	34%	0.34	41%	0.413	S	S	.	.	H	α-helix	trans	-59	-43.2	173.6	0	0	0	0	0	112.6	K59 I60 K61 N66 L67	K59-G63 PolarHBondContact O-N 3.01Å; I60-G63 PolarHBondContact O-N 3.05Å; K61-G63 PolarHBondContact O-N 3.21Å; G63-N66 PolarHBondContact O-N 3.11Å; G63-L67 WeakPolarHBondContact O-CB 3.37Å; G63-L67 PolarHBondContact O-N 3.46Å
64	A	81.6	Confident	79.9	Confident	3 Å²	3	90.1 Å²	90.1	3%	0.025	44%	0.439	C	S	.	.	H	α-helix	trans	-68.2	-37.5	176.8	0	0	0	0	0	112.8	I60 K61 E62 L67 R68 V80 L84	I60-A64 WeakPolarHBondContact O-CB 3.46Å; I60-A64 PolarHBondContact O-N 3.41Å; K61-A64 CarbonylContact O-C 3.57Å; K61-A64 PolarHBondContact O-N 3.11Å; E62-A64 VanDerWaalsContact C-N 3.34Å; E62-A64 PolarHBondContact O-N 3.01Å; A64-L67 PolarHBondContact O-N 3.49Å; A64-R68 WeakPolarHBondContact O-CB 3.47Å; A64-R68 PolarHBondContact O-N 3.32Å; A64-V80 HydrophobicContact CB-CG1 4.24Å; A64-V80 WeakPolarHBondContact O-CG1 3.3Å; A64-L84 HydrophobicContact CB-CD2 3.8Å; A64-L84 HydrophobicContact CB-CG 3.86Å
65	E	80.1	Confident	79.3	Confident	65 Å²	65	99.4 Å²	99.4	30%	0.304	47%	0.473	S	S	.	.	H	α-helix	trans	-65.6	-39.1	173.7	-72.4	-171.1	-170.5	0	0	111.9	K61 E62 R68 R69 L84	K61-E65 WeakPolarHBondContact CE-OE1 3.5Å; K61-E65 IonicContact NZ-OE1 3.5Å; K61-E65 WeakPolarHBondContact O-CG 3.5Å; K61-E65 PolarHBondContact O-N 3.22Å; E62-E65 PolarHBondContact O-N 3.19Å; E65-R68 WeakPolarHBondContact O-CB 3.48Å; E65-R68 PolarHBondContact O-N 2.76Å; E65-R69 WeakPolarHBondContact O-CG 3.39Å; E65-R69 PolarHBondContact O-N 2.92Å; E65-R69 VanDerWaalsContact O-N 3.09Å; E65-R69 IonicContact OE2-NH2 3.44Å; E65-L84 HydrophobicContact CG-CD1 4.34Å; E65-L84 HydrophobicContact CG-CD2 3.55Å
66	N	81.4	Confident	78.7	Confident	74 Å²	74	99.1 Å²	99.1	40%	0.396	48%	0.475	S	S	.	.	H	α-helix	trans	-68.8	-40.8	175.4	-72.4	-31.6	0	0	0	112	E62 G63 R68 R69 A70	E62-N66 PolarHBondContact O-N 2.84Å; E62-N66 PolarHBondContact O-ND2 2.9Å; G63-N66 PolarHBondContact O-N 3.11Å; N66-R68 VanDerWaalsContact C-N 3.34Å; N66-R68 PolarHBondContact O-N 2.88Å; N66-R69 PolarHBondContact O-N 3.36Å; N66-R69 PolarHBondContact OD1-NH1 3.43Å; N66-A70 PolarHBondContact O-N 3.23Å; N66-A70 VanDerWaalsContact O-N 3.15Å
67	L	78.3	Confident	78	Confident	93 Å²	93	94.6 Å²	94.6	49%	0.487	46%	0.46	S	S	.	.	H	α-helix	trans	-58.9	-42.7	169.9	-88.8	155.3	0	0	0	112.1	G63 A64 R69 A70 I71 V80	G63-L67 WeakPolarHBondContact O-CB 3.37Å; G63-L67 PolarHBondContact O-N 3.46Å; A64-L67 PolarHBondContact O-N 3.49Å; L67-R69 VanDerWaalsContact C-N 3.29Å; L67-R69 PolarHBondContact O-N 3.2Å; L67-A70 PolarHBondContact O-N 3.23Å; L67-A70 VanDerWaalsContact O-N 3.1Å; L67-I71 HydrophobicContact CB-CD1 4.38Å; L67-I71 HydrophobicContact CD2-CD1 4.26Å; L67-I71 WeakPolarHBondContact O-CD1 3.35Å; L67-I71 VanDerWaalsContact O-CG1 3.24Å; L67-I71 WeakPolarHBondContact O-CG1 3.11Å; L67-I71 PolarHBondContact O-N 3.26Å; L67-I71 VanDerWaalsContact O-N 3.07Å; L67-V80 HydrophobicContact CB-CG1 4.36Å; L67-V80 HydrophobicContact CB-CG2 4.48Å
68	R	80.4	Confident	77.5	Confident	142 Å²	142	100.7 Å²	100.7	54%	0.536	49%	0.489	S	S	.	.	H	α-helix	trans	-60.8	-36	176.5	-175.5	179.1	-175.6	-108.2	-2.1	112.7	A64 E65 N66 V80 D81 L84	A64-R68 WeakPolarHBondContact O-CB 3.47Å; A64-R68 PolarHBondContact O-N 3.32Å; E65-R68 WeakPolarHBondContact O-CB 3.48Å; E65-R68 PolarHBondContact O-N 2.76Å; N66-R68 VanDerWaalsContact C-N 3.34Å; N66-R68 PolarHBondContact O-N 2.88Å; R68-V80 HydrophobicContact CB-CG1 3.87Å; R68-D81 WeakPolarHBondContact CD-OD1 3.41Å; R68-D81 IonicContact CZ-OD1 2.73Å; R68-D81 IonicContact NE-OD1 3.67Å; R68-D81 PolarHBondContact NE-OD1 3.45Å; R68-D81 IonicContact NH2-OD1 3.55Å; R68-L84 HydrophobicContact CB-CD1 4.32Å
69	R	77.6	Confident	77.3	Confident	182 Å²	182	103.7 Å²	103.7	69%	0.687	50%	0.501	S	S	*	.	H	α-helix	trans	-72.2	-28.1	175.1	-67.8	169	-170.2	152.9	2.5	112.8	E65 N66 L67	E65-R69 WeakPolarHBondContact O-CG 3.39Å; E65-R69 PolarHBondContact O-N 2.92Å; E65-R69 VanDerWaalsContact O-N 3.09Å; E65-R69 IonicContact OE2-NH2 3.44Å; N66-R69 PolarHBondContact O-N 3.36Å; N66-R69 PolarHBondContact OD1-NH1 3.43Å; L67-R69 VanDerWaalsContact C-N 3.29Å; L67-R69 PolarHBondContact O-N 3.2Å
70	A	75.6	Confident	77.3	Confident	79 Å²	79	96.8 Å²	96.8	65%	0.653	47%	0.472	S	S	*	.	H	α-helix	trans	-91	-16.1	-176.7	0	0	0	0	0	114.8	N66 L67	N66-A70 PolarHBondContact O-N 3.23Å; N66-A70 VanDerWaalsContact O-N 3.15Å; L67-A70 PolarHBondContact O-N 3.23Å; L67-A70 VanDerWaalsContact O-N 3.1Å
71	I	79	Confident	77.1	Confident	48 Å²	48	95.6 Å²	95.6	25%	0.246	47%	0.466	C	S	.	.			trans	-91.9	121.9	-175.1	-71	163.8	0	0	0	111.6	L67 D73 K76 V80	L67-I71 HydrophobicContact CB-CD1 4.38Å; L67-I71 HydrophobicContact CD2-CD1 4.26Å; L67-I71 WeakPolarHBondContact O-CD1 3.35Å; L67-I71 VanDerWaalsContact O-CG1 3.24Å; L67-I71 WeakPolarHBondContact O-CG1 3.11Å; L67-I71 PolarHBondContact O-N 3.26Å; L67-I71 VanDerWaalsContact O-N 3.07Å; I71-D73 HydrophobicContact CG2-CB 4.35Å; I71-D73 WeakPolarHBondContact CG2-O 3.5Å; I71-K76 HydrophobicContact CD1-CB 4.36Å; I71-K76 HydrophobicContact CG2-CB 3.78Å; I71-V80 HydrophobicContact CD1-CG2 3.72Å
72	T	67.6	Low	77	Confident	149 Å²	149	95.7 Å²	95.7	91%	0.914	48%	0.475	S	S	*	.			trans	-95.4	-10.7	173.1	50.5	0	0	0	0	114
73	D	74.6	Confident	77	Confident	69 Å²	69	94.5 Å²	94.5	37%	0.369	47%	0.469	S	S	.	.			trans	-88.4	119.5	-179.4	176.7	-7.6	0	0	0	111.9	I71 R75 K76 G77	I71-D73 HydrophobicContact CG2-CB 4.35Å; I71-D73 WeakPolarHBondContact CG2-O 3.5Å; D73-R75 VanDerWaalsContact C-N 3.31Å; D73-R75 PolarHBondContact O-N 3.5Å; D73-R75 PolarHBondContact OD1-N 3.38Å; D73-K76 HydrophobicContact CB-CB 4.33Å; D73-K76 HydrophobicContact CB-CD 4.3Å; D73-K76 HydrophobicContact CB-CG 4.39Å; D73-K76 PolarHBondContact O-N 2.86Å; D73-K76 WeakPolarHBondContact OD2-CE 3.28Å; D73-G77 PolarHBondContact O-N 2.76Å
74	K	68.8	Low	77.2	Confident	189 Å²	189	93.9 Å²	93.9	82%	0.822	46%	0.458	S	S	*	.	H	α-helix	trans	-56.2	-35.2	-179.2	-84.3	-174.9	173.3	178.8	0	114.4	Q78	K74-Q78 PolarHBondContact O-N 2.95Å
75	R	69.3	Low	77.3	Confident	214 Å²	214	100.3 Å²	100.3	81%	0.808	48%	0.482	S	S	*	.	H	α-helix	trans	-73.4	-42	-179.3	-79.7	-172.6	177.1	179.6	0.9	111.4	D73 Q78	D73-R75 VanDerWaalsContact C-N 3.31Å; D73-R75 PolarHBondContact O-N 3.5Å; D73-R75 PolarHBondContact OD1-N 3.38Å; R75-Q78 PolarHBondContact O-N 2.93Å
76	K	67.2	Low	77.5	Confident	124 Å²	124	101 Å²	101	54%	0.539	49%	0.494	S	S	.	.	H	α-helix	trans	-68.2	-36.2	176.9	-64.5	179.7	-173.3	177.8	0	111.6	I71 D73 Q78 Q79 V80	I71-K76 HydrophobicContact CD1-CB 4.36Å; I71-K76 HydrophobicContact CG2-CB 3.78Å; D73-K76 HydrophobicContact CB-CB 4.33Å; D73-K76 HydrophobicContact CB-CD 4.3Å; D73-K76 HydrophobicContact CB-CG 4.39Å; D73-K76 PolarHBondContact O-N 2.86Å; D73-K76 WeakPolarHBondContact OD2-CE 3.28Å; K76-Q78 PolarHBondContact O-N 3.44Å; K76-Q79 PolarHBondContact O-N 2.87Å; K76-V80 PolarHBondContact O-N 2.83Å
77	G	72.5	Confident	77.6	Confident	17 Å²	17	97.6 Å²	97.6	18%	0.175	48%	0.476	C	S	.	.	H	α-helix	trans	-58.3	-43.3	174.1	0	0	0	0	0	113.5	D73 Q79 V80 D81	D73-G77 PolarHBondContact O-N 2.76Å; G77-Q79 VanDerWaalsContact C-N 3.31Å; G77-Q79 PolarHBondContact O-N 3.49Å; G77-V80 PolarHBondContact O-N 2.9Å; G77-D81 PolarHBondContact O-N 3.19Å
78	Q	76.4	Confident	77.7	Confident	140 Å²	140	98.9 Å²	98.9	65%	0.654	48%	0.477	S	S	*	.	H	α-helix	trans	-62.7	-34.9	178.2	-75.2	-178.5	-20.8	0	0	113.5	K74 R75 K76 S82	K74-Q78 PolarHBondContact O-N 2.95Å; R75-Q78 PolarHBondContact O-N 2.93Å; K76-Q78 PolarHBondContact O-N 3.44Å; Q78-S82 PolarHBondContact O-N 3.45Å
79	Q	78.3	Confident	77.8	Confident	145 Å²	145	100.6 Å²	100.6	68%	0.678	48%	0.484	S	S	*	.	H	α-helix	trans	-67.8	-43	176.6	-170.7	173.5	2.4	0	0	111.3	K76 G77 S82 Q83	K76-Q79 PolarHBondContact O-N 2.87Å; G77-Q79 VanDerWaalsContact C-N 3.31Å; G77-Q79 PolarHBondContact O-N 3.49Å; Q79-S82 WeakPolarHBondContact O-CB 3.32Å; Q79-S82 PolarHBondContact O-N 3Å; Q79-Q83 PolarHBondContact O-N 3.44Å
80	V	81.8	Confident	78.2	Confident	12 Å²	12	96.3 Å²	96.3	7%	0.073	47%	0.47	C	S	.	.	H	α-helix	trans	-67.9	-39.6	176.3	178.2	0	0	0	0	111.9	A64 L67 R68 I71 K76 G77 S82 Q83 L84	A64-V80 HydrophobicContact CB-CG1 4.24Å; A64-V80 WeakPolarHBondContact O-CG1 3.3Å; L67-V80 HydrophobicContact CB-CG1 4.36Å; L67-V80 HydrophobicContact CB-CG2 4.48Å; R68-V80 HydrophobicContact CB-CG1 3.87Å; I71-V80 HydrophobicContact CD1-CG2 3.72Å; K76-V80 PolarHBondContact O-N 2.83Å; G77-V80 PolarHBondContact O-N 2.9Å; V80-S82 VanDerWaalsContact C-N 3.26Å; V80-S82 PolarHBondContact O-N 3.36Å; V80-Q83 WeakPolarHBondContact O-CB 3.37Å; V80-Q83 PolarHBondContact O-N 2.97Å; V80-L84 HydrophobicContact CG1-CD1 4.25Å; V80-L84 WeakPolarHBondContact O-CG 3.32Å; V80-L84 PolarHBondContact O-N 3.13Å
81	D	80	Confident	78.4	Confident	47 Å²	47	93.1 Å²	93.1	25%	0.251	44%	0.442	S	S	.	.	H	α-helix	trans	-61.9	-33.5	172.2	-82.3	-20.8	0	0	0	112.2	R68 G77 R85	R68-D81 WeakPolarHBondContact CD-OD1 3.41Å; R68-D81 IonicContact CZ-OD1 2.73Å; R68-D81 IonicContact NE-OD1 3.67Å; R68-D81 PolarHBondContact NE-OD1 3.45Å; R68-D81 IonicContact NH2-OD1 3.55Å; G77-D81 PolarHBondContact O-N 3.19Å; D81-R85 WeakPolarHBondContact O-CG 3.42Å; D81-R85 PolarHBondContact O-N 3.45Å; D81-R85 VanDerWaalsContact O-N 3.1Å
82	S	83.7	Confident	78.2	Confident	65 Å²	65	95.3 Å²	95.3	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-68.7	-44.4	173.8	-157.7	0	0	0	0	111.7	Q78 Q79 V80 L84 R85 S86	Q78-S82 PolarHBondContact O-N 3.45Å; Q79-S82 WeakPolarHBondContact O-CB 3.32Å; Q79-S82 PolarHBondContact O-N 3Å; V80-S82 VanDerWaalsContact C-N 3.26Å; V80-S82 PolarHBondContact O-N 3.36Å; S82-L84 VanDerWaalsContact C-N 3.33Å; S82-L84 PolarHBondContact O-N 2.79Å; S82-R85 PolarHBondContact O-N 2.94Å; S82-S86 PolarHBondContact O-N 3.38Å
83	Q	82.8	Confident	78.8	Confident	94 Å²	94	91.9 Å²	91.9	44%	0.439	43%	0.43	S	S	.	.	H	α-helix	trans	-60.3	-41.4	174.9	-171.7	174.1	-1.9	0	0	111.7	Q79 V80 S86 S87	Q79-Q83 PolarHBondContact O-N 3.44Å; V80-Q83 WeakPolarHBondContact O-CB 3.37Å; V80-Q83 PolarHBondContact O-N 2.97Å; Q83-S86 PolarHBondContact O-N 3.08Å; Q83-S87 VanDerWaalsContact O-CB 3.27Å; Q83-S87 WeakPolarHBondContact O-CB 3.48Å; Q83-S87 PolarHBondContact O-N 3.36Å
84	L	84.8	Confident	79.1	Confident	20 Å²	20	89.4 Å²	89.4	11%	0.105	42%	0.417	C	S	.	.	H	α-helix	trans	-63.7	-41.8	175	-79.4	165.3	0	0	0	113.2	K61 A64 E65 R68 V80 S82 K88	K61-L84 HydrophobicContact CG-CD2 3.87Å; A64-L84 HydrophobicContact CB-CD2 3.8Å; A64-L84 HydrophobicContact CB-CG 3.86Å; E65-L84 HydrophobicContact CG-CD1 4.34Å; E65-L84 HydrophobicContact CG-CD2 3.55Å; R68-L84 HydrophobicContact CB-CD1 4.32Å; V80-L84 HydrophobicContact CG1-CD1 4.25Å; V80-L84 WeakPolarHBondContact O-CG 3.32Å; V80-L84 PolarHBondContact O-N 3.13Å; S82-L84 VanDerWaalsContact C-N 3.33Å; S82-L84 PolarHBondContact O-N 2.79Å; L84-K88 VanDerWaalsContact O-CB 3.29Å; L84-K88 WeakPolarHBondContact O-CB 3.37Å; L84-K88 PolarHBondContact O-N 3.08Å
85	R	82.8	Confident	79.4	Confident	139 Å²	139	85.2 Å²	85.2	53%	0.525	40%	0.4	S	S	.	.	H	α-helix	trans	-65.5	-40.2	175.1	-74.6	-175.4	-64.5	-94.7	-2	112.3	D81 S82 R89	D81-R85 WeakPolarHBondContact O-CG 3.42Å; D81-R85 PolarHBondContact O-N 3.45Å; D81-R85 VanDerWaalsContact O-N 3.1Å; S82-R85 PolarHBondContact O-N 2.94Å; R85-R89 WeakPolarHBondContact O-CG 2.83Å; R85-R89 PolarHBondContact O-N 3.29Å; R85-R89 VanDerWaalsContact O-N 3.15Å
86	S	83.8	Confident	79.5	Confident	80 Å²	80	77.7 Å²	77.7	56%	0.559	38%	0.384	S	S	*	.	H	α-helix	trans	-63.8	-50.3	176.1	-169.4	0	0	0	0	111.3	S82 Q83 K88 R89 K90	S82-S86 PolarHBondContact O-N 3.38Å; Q83-S86 PolarHBondContact O-N 3.08Å; S86-K88 VanDerWaalsContact C-N 3.35Å; S86-K88 PolarHBondContact O-N 2.99Å; S86-R89 PolarHBondContact O-N 2.99Å; S86-K90 PolarHBondContact O-N 3.24Å
87	S	85	Confident	79.9	Confident	2 Å²	2	73.8 Å²	73.8	1%	0.014	37%	0.367	C	S	.	.	H	α-helix	trans	-59.5	-43	178	-171.9	0	0	0	0	112	E57 Q83 K90 L91	E57-S87 WeakPolarHBondContact OE1-CA 3.39Å; E57-S87 WeakPolarHBondContact OE1-CB 3.31Å; E57-S87 PolarHBondContact OE1-OG 2.95Å; Q83-S87 VanDerWaalsContact O-CB 3.27Å; Q83-S87 WeakPolarHBondContact O-CB 3.48Å; Q83-S87 PolarHBondContact O-N 3.36Å; S87-K90 PolarHBondContact O-N 2.82Å; S87-L91 WeakPolarHBondContact O-CB 3.31Å; S87-L91 PolarHBondContact O-N 2.94Å
88	K	80.4	Confident	80.1	Confident	119 Å²	119	74.3 Å²	74.3	52%	0.517	37%	0.366	S	S	.	.	H	α-helix	trans	-59.7	-49	175.8	-173.4	-179.3	179.1	-154.8	0	112.4	L84 S86 K90 L91 E92	L84-K88 VanDerWaalsContact O-CB 3.29Å; L84-K88 WeakPolarHBondContact O-CB 3.37Å; L84-K88 PolarHBondContact O-N 3.08Å; S86-K88 VanDerWaalsContact C-N 3.35Å; S86-K88 PolarHBondContact O-N 2.99Å; K88-K90 VanDerWaalsContact C-N 3.34Å; K88-K90 PolarHBondContact O-N 3.43Å; K88-L91 WeakPolarHBondContact O-CB 3.39Å; K88-L91 PolarHBondContact O-N 2.95Å; K88-E92 WeakPolarHBondContact CE-OE1 3.23Å; K88-E92 IonicContact NZ-OE1 3.97Å; K88-E92 WeakPolarHBondContact O-CG 3.36Å; K88-E92 PolarHBondContact O-N 3.03Å
89	R	82.1	Confident	79.7	Confident	179 Å²	179	74.1 Å²	74.1	68%	0.675	37%	0.365	S	S	*	.	H	α-helix	trans	-60.1	-43.5	177.7	-74.1	176	177.7	-179.5	-2.4	112	R85 S86 L91 E92 T93	R85-R89 WeakPolarHBondContact O-CG 2.83Å; R85-R89 PolarHBondContact O-N 3.29Å; R85-R89 VanDerWaalsContact O-N 3.15Å; S86-R89 PolarHBondContact O-N 2.99Å; R89-L91 VanDerWaalsContact C-N 3.3Å; R89-L91 PolarHBondContact O-N 2.69Å; R89-E92 WeakPolarHBondContact O-CB 3.1Å; R89-E92 PolarHBondContact O-N 3.02Å; R89-T93 PolarHBondContact O-N 3.17Å; R89-T93 PolarHBondContact O-OG1 3.25Å; R89-T93 VanDerWaalsContact O-OG1 3.11Å
90	K	85.1	Confident	79.4	Confident	91 Å²	91	70.1 Å²	70.1	40%	0.396	35%	0.346	S	S	.	.	H	α-helix	trans	-64.5	-35.5	177.7	-173.8	175.4	166.4	-149	0	112.1	E57 S86 S87 K88 T93 L94	E57-K90 HydrophobicContact CG-CB 4.47Å; E57-K90 HydrophobicContact CG-CD 4.41Å; E57-K90 HydrophobicContact CG-CG 4.44Å; E57-K90 WeakPolarHBondContact OE2-CD 3.4Å; E57-K90 WeakPolarHBondContact OE2-CE 3.31Å; E57-K90 IonicContact OE2-NZ 2.66Å; E57-K90 PolarHBondContact OE2-NZ 2.73Å; S86-K90 PolarHBondContact O-N 3.24Å; S87-K90 PolarHBondContact O-N 2.82Å; K88-K90 VanDerWaalsContact C-N 3.34Å; K88-K90 PolarHBondContact O-N 3.43Å; K90-T93 PolarHBondContact O-N 2.85Å; K90-L94 HydrophobicContact CG-CD1 4.12Å; K90-L94 WeakPolarHBondContact O-CB 3.31Å; K90-L94 VanDerWaalsContact O-CG 3.25Å; K90-L94 WeakPolarHBondContact O-CG 3.4Å; K90-L94 PolarHBondContact O-N 3.26Å
91	L	81.3	Confident	78.9	Confident	12 Å²	12	69.5 Å²	69.5	6%	0.063	34%	0.343	C	S	.	.	H	α-helix	trans	-63.7	-45.4	172.1	-119.3	146.6	0	0	0	111.9	I54 E57 L58 K61 S87 K88 R89 T93 L94 Q95	I54-L91 HydrophobicContact CG2-CD2 4.17Å; E57-L91 HydrophobicContact CB-CD1 4.39Å; E57-L91 HydrophobicContact CB-CG 4.47Å; E57-L91 HydrophobicContact CG-CD1 4.2Å; E57-L91 HydrophobicContact CG-CG 4.34Å; L58-L91 HydrophobicContact CD2-CD1 3.75Å; L58-L91 HydrophobicContact CD2-CD2 4.1Å; L58-L91 HydrophobicContact CG-CD1 4.04Å; L58-L91 HydrophobicContact CG-CD2 4.24Å; K61-L91 HydrophobicContact CD-CD1 4.24Å; S87-L91 WeakPolarHBondContact O-CB 3.31Å; S87-L91 PolarHBondContact O-N 2.94Å; K88-L91 WeakPolarHBondContact O-CB 3.39Å; K88-L91 PolarHBondContact O-N 2.95Å; R89-L91 VanDerWaalsContact C-N 3.3Å; R89-L91 PolarHBondContact O-N 2.69Å; L91-T93 PolarHBondContact O-N 3.36Å; L91-L94 PolarHBondContact O-N 3.39Å; L91-Q95 HydrophobicContact CD2-CG 4.4Å; L91-Q95 WeakPolarHBondContact O-CB 3.49Å; L91-Q95 VanDerWaalsContact O-CG 3.24Å; L91-Q95 WeakPolarHBondContact O-CG 3.39Å; L91-Q95 PolarHBondContact O-N 3.17Å; L91-Q95 PolarHBondContact O-OE1 2.76Å
92	E	73.3	Confident	78.3	Confident	94 Å²	94	70.2 Å²	70.2	44%	0.439	35%	0.347	S	S	.	.	H	α-helix	trans	-59.7	-44.3	175.5	-68.9	162.6	168.4	0	0	111.1	K88 R89 Q95 A96	K88-E92 WeakPolarHBondContact CE-OE1 3.23Å; K88-E92 IonicContact NZ-OE1 3.97Å; K88-E92 WeakPolarHBondContact O-CG 3.36Å; K88-E92 PolarHBondContact O-N 3.03Å; R89-E92 WeakPolarHBondContact O-CB 3.1Å; R89-E92 PolarHBondContact O-N 3.02Å; E92-Q95 PolarHBondContact O-N 3.01Å; E92-A96 PolarHBondContact O-N 3.04Å
93	T	80.1	Confident	77.3	Confident	78 Å²	78	70.5 Å²	70.5	48%	0.479	35%	0.353	S	S	.	.	H	α-helix	trans	-63.1	-48.1	174.7	-51.8	0	0	0	0	112.6	R89 K90 L91 Q95 A96 Q97	R89-T93 PolarHBondContact O-N 3.17Å; R89-T93 PolarHBondContact O-OG1 3.25Å; R89-T93 VanDerWaalsContact O-OG1 3.11Å; K90-T93 PolarHBondContact O-N 2.85Å; L91-T93 PolarHBondContact O-N 3.36Å; T93-Q95 VanDerWaalsContact C-N 3.28Å; T93-Q95 PolarHBondContact O-N 2.94Å; T93-A96 PolarHBondContact O-N 2.99Å; T93-Q97 WeakPolarHBondContact O-CG 3.46Å; T93-Q97 PolarHBondContact O-N 2.68Å
94	L	80.8	Confident	76.4	Confident	17 Å²	17	69 Å²	69	9%	0.089	35%	0.346	C	S	.	.	H	α-helix	trans	-64.8	-32.5	179.7	-72.2	167.9	0	0	0	112.3	I50 E53 I54 K90 L91 L98	I50-L94 HydrophobicContact CG2-CB 4.31Å; I50-L94 HydrophobicContact CG2-CD2 4.17Å; I50-L94 WeakPolarHBondContact CG2-O 3.44Å; E53-L94 HydrophobicContact CB-CD1 4.03Å; E53-L94 HydrophobicContact CB-CD2 4.22Å; I54-L94 HydrophobicContact CD1-CB 4.15Å; I54-L94 HydrophobicContact CG1-CB 3.63Å; I54-L94 HydrophobicContact CG1-CD1 4.22Å; I54-L94 HydrophobicContact CG1-CG 4.5Å; K90-L94 HydrophobicContact CG-CD1 4.12Å; K90-L94 WeakPolarHBondContact O-CB 3.31Å; K90-L94 VanDerWaalsContact O-CG 3.25Å; K90-L94 WeakPolarHBondContact O-CG 3.4Å; K90-L94 PolarHBondContact O-N 3.26Å; L91-L94 PolarHBondContact O-N 3.39Å; L94-L98 WeakPolarHBondContact O-CB 3.31Å; L94-L98 PolarHBondContact O-N 3.44Å
95	Q	75.4	Confident	75.5	Confident	100 Å²	100	68.8 Å²	68.8	47%	0.467	35%	0.345	S	S	.	.	H	α-helix	trans	-68.6	-43.5	174.5	-76.2	174.5	-41.5	0	0	111.7	I54 L91 E92 T93 L98 Q99	I54-Q95 HydrophobicContact CD1-CG 4.37Å; L91-Q95 HydrophobicContact CD2-CG 4.4Å; L91-Q95 WeakPolarHBondContact O-CB 3.49Å; L91-Q95 VanDerWaalsContact O-CG 3.24Å; L91-Q95 WeakPolarHBondContact O-CG 3.39Å; L91-Q95 PolarHBondContact O-N 3.17Å; L91-Q95 PolarHBondContact O-OE1 2.76Å; E92-Q95 PolarHBondContact O-N 3.01Å; T93-Q95 VanDerWaalsContact C-N 3.28Å; T93-Q95 PolarHBondContact O-N 2.94Å; Q95-L98 PolarHBondContact O-N 3.28Å; Q95-Q99 WeakPolarHBondContact O-CB 3.28Å; Q95-Q99 PolarHBondContact O-N 3.06Å
96	A	71.8	Confident	74	Confident	57 Å²	57	66.1 Å²	66.1	47%	0.471	34%	0.343	S	S	.	.	H	α-helix	trans	-60.7	-44.6	174.1	0	0	0	0	0	111.9	E92 T93 L98 Q99 E100	E92-A96 PolarHBondContact O-N 3.04Å; T93-A96 PolarHBondContact O-N 2.99Å; A96-L98 VanDerWaalsContact C-N 3.34Å; A96-L98 PolarHBondContact O-N 2.74Å; A96-Q99 PolarHBondContact O-N 2.86Å; A96-E100 PolarHBondContact O-N 3.34Å
97	Q	76.1	Confident	72.1	Confident	41 Å²	41	68 Å²	68	19%	0.192	35%	0.351	C	S	.	.	H	α-helix	trans	-65	-34.3	176.5	-70	-177.3	-31.1	0	0	113.4	V22 I50 T93 L101	V22-Q97 HydrophobicContact CG2-CB 3.66Å; V22-Q97 HydrophobicContact CG2-CG 3.53Å; I50-Q97 HydrophobicContact CD1-CB 3.71Å; T93-Q97 WeakPolarHBondContact O-CG 3.46Å; T93-Q97 PolarHBondContact O-N 2.68Å; Q97-L101 PolarHBondContact O-N 3.09Å
98	L	75.9	Confident	69.9	Low	29 Å²	29	75 Å²	75	15%	0.152	38%	0.381	C	S	.	.	H	α-helix	trans	-68.2	-40.6	173.8	-177.7	61.6	0	0	0	111.3	R47 I50 R51 I54 L94 Q95 A96 L101 D102	R47-L98 HydrophobicContact CG-CD1 3.81Å; I50-L98 HydrophobicContact CG2-CB 3.93Å; I50-L98 HydrophobicContact CG2-CD1 4.5Å; R51-L98 HydrophobicContact CG-CD1 4Å; R51-L98 HydrophobicContact CG-CD2 4.09Å; I54-L98 HydrophobicContact CD1-CB 4.36Å; I54-L98 HydrophobicContact CD1-CD2 3.85Å; L94-L98 WeakPolarHBondContact O-CB 3.31Å; L94-L98 PolarHBondContact O-N 3.44Å; Q95-L98 PolarHBondContact O-N 3.28Å; A96-L98 VanDerWaalsContact C-N 3.34Å; A96-L98 PolarHBondContact O-N 2.74Å; L98-L101 PolarHBondContact O-N 3.43Å; L98-D102 WeakPolarHBondContact O-CB 3.36Å; L98-D102 PolarHBondContact O-N 3.33Å
99	Q	67.5	Low	67.7	Low	136 Å²	136	71.5 Å²	71.5	64%	0.636	38%	0.38	S	S	*	.	H	α-helix	trans	-67.4	-37	177.9	-170.3	174.2	-4	0	0	112	Q95 A96 A103	Q95-Q99 WeakPolarHBondContact O-CB 3.28Å; Q95-Q99 PolarHBondContact O-N 3.06Å; A96-Q99 PolarHBondContact O-N 2.86Å; Q99-A103 PolarHBondContact O-N 3.46Å
100	E	72.3	Confident	65.3	Low	60 Å²	60	69.1 Å²	69.1	28%	0.28	39%	0.388	S	S	.	.	H	α-helix	trans	-60.5	-44.5	170.9	-171.3	-173	156.5	0	0	111.5	V22 A96 H104	V22-E100 WeakPolarHBondContact CG2-OE2 3.41Å; V22-E100 PolarHBondContact N-OE1 3.16Å; A96-E100 PolarHBondContact O-N 3.34Å; E100-H104 PolarHBondContact O-ND1 3.41Å
101	L	71.1	Confident	63	Low	0 Å²	0	71.9 Å²	71.9	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-70.2	-46.8	178	-81.4	173.8	0	0	0	113.8	V22 L26 L43 H46 I50 Q97 L98 A103 H104 I105	V22-L101 HydrophobicContact CG1-CD1 3.99Å; V22-L101 HydrophobicContact CG1-CD2 3.91Å; V22-L101 HydrophobicContact CG1-CG 3.81Å; L26-L101 HydrophobicContact CD1-CD2 4.1Å; L43-L101 HydrophobicContact CD2-CD2 3.49Å; L43-L101 VanDerWaalsContact CD2-CD2 3.49Å; H46-L101 HydrophobicContact CB-CD1 4.07Å; I50-L101 HydrophobicContact CD1-CD1 3.75Å; Q97-L101 PolarHBondContact O-N 3.09Å; L98-L101 PolarHBondContact O-N 3.43Å; L101-A103 PolarHBondContact O-N 2.73Å; L101-A103 VanDerWaalsContact O-N 3.16Å; L101-H104 PolarHBondContact O-N 3.36Å; L101-I105 HydrophobicContact CB-CD1 4.49Å; L101-I105 WeakPolarHBondContact O-CG1 3.47Å; L101-I105 PolarHBondContact O-N 3.41Å
102	D	68.8	Low	60.9	Low	61 Å²	61	76.9 Å²	76.9	33%	0.326	43%	0.433	S	S	.	.	H	α-helix	trans	-64.1	-18.5	-179	-87.6	-40.5	0	0	0	111.6	R47 R51 L98	R47-D102 WeakPolarHBondContact CD-OD1 3.44Å; R47-D102 IonicContact CZ-OD1 2.83Å; R47-D102 IonicContact NE-OD1 3.96Å; R47-D102 IonicContact NH1-OD1 3.61Å; R47-D102 PolarHBondContact NH1-OD1 2.97Å; R51-D102 IonicContact NH2-OD1 3.28Å; R51-D102 IonicContact NH2-OD2 2.78Å; R51-D102 PolarHBondContact NH2-OD2 3.41Å; L98-D102 WeakPolarHBondContact O-CB 3.36Å; L98-D102 PolarHBondContact O-N 3.33Å
103	A	62.3	Low	59	Low	71 Å²	71	79.8 Å²	79.8	59%	0.587	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-18.2	171.9	0	0	0	0	0	114.6	Q99 L101	Q99-A103 PolarHBondContact O-N 3.46Å; L101-A103 PolarHBondContact O-N 2.73Å; L101-A103 VanDerWaalsContact O-N 3.16Å
104	H	63	Low	56.7	Low	62 Å²	62	84.9 Å²	84.9	29%	0.287	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-1.3	-176.4	-65.2	83.5	0	0	0	113.3	F34 E100 L101	F34-H104 HydrophobicContact CD1-CB 4.45Å; E100-H104 PolarHBondContact O-ND1 3.41Å; L101-H104 PolarHBondContact O-N 3.36Å
105	I	66.3	Low	54.5	Low	17 Å²	17	91.8 Å²	91.8	9%	0.087	51%	0.507	C	S	.	.			trans	-93.4	110.8	-176.4	-78.7	167.2	0	0	0	110.3	Q40 L43 R47 L101 V107	Q40-I105 VanDerWaalsContact NE2-CG2 3.32Å; L43-I105 HydrophobicContact CB-CD1 4.04Å; L43-I105 HydrophobicContact CB-CG1 3.73Å; L43-I105 HydrophobicContact CD1-CG1 4.36Å; R47-I105 HydrophobicContact CB-CD1 3.98Å; R47-I105 HydrophobicContact CG-CD1 4.36Å; L101-I105 HydrophobicContact CB-CD1 4.49Å; L101-I105 WeakPolarHBondContact O-CG1 3.47Å; L101-I105 PolarHBondContact O-N 3.41Å; I105-V107 PolarHBondContact O-N 3.4Å
106	V	52.8	Low	52.2	Low	82 Å²	82	92.9 Å²	92.9	50%	0.497	52%	0.521	S	S	.	.			trans	-81.2	112	178.4	-177.3	0	0	0	0	109.7	K108	V106-K108 PolarHBondContact O-N 2.87Å; V106-K108 VanDerWaalsContact O-N 3.1Å
107	V	42.8	Very low	50.4	Low	119 Å²	119	96.8 Å²	96.8	72%	0.721	54%	0.539	S	S	*	.			trans	-77.7	95	174.9	-177.5	0	0	0	0	109.8	I105	I105-V107 PolarHBondContact O-N 3.4Å
108	K	38.1	Very low	48	Very low	149 Å²	149	104.4 Å²	104.4	65%	0.648	57%	0.572	S	S	*	*			trans	-68.4	135.4	164.3	-75.4	-167.4	174.2	-174	0	110.6	V106	V106-K108 PolarHBondContact O-N 2.87Å; V106-K108 VanDerWaalsContact O-N 3.1Å
109	G	35.3	Very low	45.7	Very low	47 Å²	47	108.4 Å²	108.4	49%	0.485	60%	0.602	S	S	.	*			trans	-80.4	173	170.8	0	0	0	0	0	112	D111	G109-D111 PolarHBondContact O-N 2.85Å
110	P	32.1	Very low	44.2	Very low	129 Å²	129	108.5 Å²	108.5	84%	0.838	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-12.4	-177.2	-21.2	34.8	0	0	0	116
111	D	36.7	Very low	42.1	Very low	148 Å²	148	108.6 Å²	108.6	79%	0.791	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	2.7	-163.9	-64.1	-48.5	0	0	0	115.5	G109 N113	G109-D111 PolarHBondContact O-N 2.85Å; D111-N113 PolarHBondContact O-N 3.19Å
112	D	37.4	Very low	40.4	Very low	117 Å²	117	114.4 Å²	114.4	63%	0.626	67%	0.672	S	S	*	*			trans	-76.8	60.3	177.6	-74.9	-24.5	0	0	0	112.3
113	N	32.9	Very low	38.8	Very low	155 Å²	155	116.8 Å²	116.8	83%	0.829	69%	0.689	S	S	*	*			trans	-132.2	54.4	177.5	-124.6	5.1	0	0	0	111.3	D111	D111-N113 PolarHBondContact O-N 3.19Å
114	Q	32.4	Very low	37.8	Very low	185 Å²	185	116.4 Å²	116.4	86%	0.864	68%	0.682	S	S	*	*			trans	-144.8	102.6	164	-114.2	174.4	48.9	0	0	111.5	T116	Q114-T116 PolarHBondContact O-N 3.02Å
115	D	32.6	Very low	37.1	Very low	163 Å²	163	122 Å²	122	87%	0.872	70%	0.7	S	S	*	*			trans	-59.6	120.1	168.3	-81.8	-49	0	0	0	110.9
116	T	27	Very low	36.1	Very low	123 Å²	123	123.5 Å²	123.5	76%	0.755	71%	0.711	S	S	*	*			trans	-139.2	105.6	151.8	42.9	0	0	0	0	111.2	Q114 K118	Q114-T116 PolarHBondContact O-N 3.02Å; T116-K118 PolarHBondContact O-N 2.86Å
117	T	34.5	Very low	35.9	Very low	139 Å²	139	121.1 Å²	121.1	85%	0.853	70%	0.698	S	S	*	*			trans	-70.7	120.2	171.2	37.5	0	0	0	0	111
118	K	27	Very low	36.5	Very low	200 Å²	200	117.8 Å²	117.8	87%	0.87	68%	0.683	S	S	*	*			trans	-138.1	141.4	164.5	-73.2	-169.7	178.5	175.5	0	111.8	T116	T116-K118 PolarHBondContact O-N 2.86Å
119	S	27.5	Very low	37.5	Very low	113 Å²	113	112.8 Å²	112.8	79%	0.79	66%	0.663	S	S	*	*			trans	-71.8	158.9	-171.8	-52.5	0	0	0	0	113.7	G121	S119-G121 PolarHBondContact O-N 2.66Å
120	P	35.2	Very low	38.9	Very low	138 Å²	138	116 Å²	116	90%	0.896	67%	0.665	S	S	*	*			trans	-74.5	115.2	-176.8	29.8	-34.4	0	0	0	112
121	G	29.3	Very low	40.4	Very low	62 Å²	62	116.3 Å²	116.3	64%	0.639	66%	0.655	S	S	*	*			trans	-164	120.6	172.2	0	0	0	0	0	110.6	S119	S119-G121 PolarHBondContact O-N 2.66Å
122	S	35	Very low	41.8	Very low	122 Å²	122	112.4 Å²	112.4	85%	0.853	63%	0.629	S	S	*	*			trans	29.6	94.8	175.3	63.1	0	0	0	0	116.9	S124	S122-S124 PolarHBondContact O-N 2.8Å
123	V	34.7	Very low	43.4	Very low	112 Å²	112	107.9 Å²	107.9	68%	0.679	61%	0.605	S	S	*	*			trans	-62	116.1	164.9	-177.9	0	0	0	0	108.5	S127 A128	V123-S127 VanDerWaalsContact CG1-OG 3.26Å; V123-S127 WeakPolarHBondContact CG1-OG 3.13Å; V123-A128 HydrophobicContact CG1-CB 4.39Å
124	S	41.7	Very low	45.2	Very low	63 Å²	63	102.5 Å²	102.5	44%	0.441	58%	0.582	S	S	.	*			trans	-63.4	148.4	176.5	-178.5	0	0	0	0	111	S122 T126 S127 A128	S122-S124 PolarHBondContact O-N 2.8Å; S124-T126 PolarHBondContact O-N 3.2Å; S124-T126 VanDerWaalsContact O-N 3.09Å; S124-T126 PolarHBondContact OG-N 2.85Å; S124-T126 PolarHBondContact OG-OG1 3.25Å; S124-S127 PolarHBondContact N-OG 2.83Å; S124-S127 PolarHBondContact O-N 2.99Å; S124-S127 PolarHBondContact O-OG 3.16Å; S124-S127 VanDerWaalsContact O-OG 3.04Å; S124-A128 PolarHBondContact O-N 2.97Å
125	R	46.9	Very low	46.9	Very low	178 Å²	178	93.8 Å²	93.8	67%	0.672	54%	0.542	S	S	*	.	H	α-helix	trans	-52.5	-33.2	173.5	-77.3	-178.9	172.4	159.8	-0.8	112.1	N129	R125-N129 PolarHBondContact O-N 3.46Å; R125-N129 VanDerWaalsContact O-N 3.09Å
126	T	46.8	Very low	48.6	Very low	50 Å²	50	86.2 Å²	86.2	31%	0.307	50%	0.501	S	S	.	.	H	α-helix	trans	-64.9	-42.5	175.6	32.4	0	0	0	0	113.8	S124 N129 Q130	S124-T126 PolarHBondContact O-N 3.2Å; S124-T126 VanDerWaalsContact O-N 3.09Å; S124-T126 PolarHBondContact OG-N 2.85Å; S124-T126 PolarHBondContact OG-OG1 3.25Å; T126-N129 PolarHBondContact O-N 3.29Å; T126-Q130 WeakPolarHBondContact O-CG 3.38Å; T126-Q130 PolarHBondContact O-N 2.95Å
127	S	48.3	Very low	50.8	Low	32 Å²	32	84.7 Å²	84.7	22%	0.224	49%	0.486	C	S	.	.	H	α-helix	trans	-74	-34.2	178.1	52	0	0	0	0	112.3	V123 S124 N129 Q130 H131	V123-S127 VanDerWaalsContact CG1-OG 3.26Å; V123-S127 WeakPolarHBondContact CG1-OG 3.13Å; S124-S127 PolarHBondContact N-OG 2.83Å; S124-S127 PolarHBondContact O-N 2.99Å; S124-S127 PolarHBondContact O-OG 3.16Å; S124-S127 VanDerWaalsContact O-OG 3.04Å; S127-N129 PolarHBondContact O-N 2.85Å; S127-Q130 PolarHBondContact O-N 2.99Å; S127-H131 PolarHBondContact O-CD2 3.27Å; S127-H131 PolarHBondContact O-N 2.76Å
128	A	54.5	Low	52.7	Low	49 Å²	49	84.3 Å²	84.3	41%	0.405	47%	0.469	S	S	.	.	H	α-helix	trans	-60.2	-43	171.4	0	0	0	0	0	112.2	V123 S124 H131 R132	V123-A128 HydrophobicContact CG1-CB 4.39Å; S124-A128 PolarHBondContact O-N 2.97Å; A128-H131 PolarHBondContact O-N 3.25Å; A128-R132 PolarHBondContact O-N 3.04Å
129	N	59.8	Low	54.9	Low	44 Å²	44	75.7 Å²	75.7	24%	0.235	43%	0.431	C	S	.	.	H	α-helix	trans	-64.4	-40.6	174.5	-79.5	-15.3	0	0	0	112.5	R125 T126 S127 R132 I133	R125-N129 PolarHBondContact O-N 3.46Å; R125-N129 VanDerWaalsContact O-N 3.09Å; T126-N129 PolarHBondContact O-N 3.29Å; S127-N129 PolarHBondContact O-N 2.85Å; N129-R132 PolarHBondContact O-N 3.36Å; N129-I133 WeakPolarHBondContact O-CG1 3.49Å; N129-I133 PolarHBondContact O-N 3.49Å
130	Q	64.5	Low	57.1	Low	115 Å²	115	71.5 Å²	71.5	54%	0.537	40%	0.4	S	S	.	.	H	α-helix	trans	-62.4	-44.3	175.5	-73.1	169.9	-5.4	0	0	112.2	T126 S127 R132 I133 A134	T126-Q130 WeakPolarHBondContact O-CG 3.38Å; T126-Q130 PolarHBondContact O-N 2.95Å; S127-Q130 PolarHBondContact O-N 2.99Å; Q130-R132 VanDerWaalsContact C-N 3.32Å; Q130-R132 PolarHBondContact O-N 3.06Å; Q130-I133 PolarHBondContact O-N 3.18Å; Q130-A134 PolarHBondContact O-N 2.88Å
131	H	64.2	Low	59	Low	135 Å²	135	69.3 Å²	69.3	63%	0.625	38%	0.381	S	S	*	.	H	α-helix	trans	-61.6	-39.3	174.3	-70.3	-57.9	0	0	0	112.2	S127 A128 A134 A135	S127-H131 PolarHBondContact O-CD2 3.27Å; S127-H131 PolarHBondContact O-N 2.76Å; A128-H131 PolarHBondContact O-N 3.25Å; H131-A134 PolarHBondContact O-N 3.11Å; H131-A135 WeakPolarHBondContact O-CB 3.41Å; H131-A135 PolarHBondContact O-N 3.25Å
132	R	65.4	Low	61.2	Low	65 Å²	65	70.7 Å²	70.7	25%	0.245	37%	0.372	C	S	.	.	H	α-helix	trans	-65.4	-39.9	174.8	-178.4	174.8	172.7	169.9	-3.2	112.7	A128 N129 Q130 A135 L136	A128-R132 PolarHBondContact O-N 3.04Å; N129-R132 PolarHBondContact O-N 3.36Å; Q130-R132 VanDerWaalsContact C-N 3.32Å; Q130-R132 PolarHBondContact O-N 3.06Å; R132-A135 WeakPolarHBondContact O-CB 3.47Å; R132-A135 PolarHBondContact O-N 3.19Å; R132-L136 HydrophobicContact CG-CD1 4.14Å; R132-L136 WeakPolarHBondContact O-CG 3.3Å; R132-L136 PolarHBondContact O-N 3.35Å
133	I	70.8	Confident	63.3	Low	22 Å²	22	65.4 Å²	65.4	11%	0.113	33%	0.334	C	S	.	.	H	α-helix	trans	-61	-50.9	174.2	-69.1	161.7	0	0	0	109.8	N129 Q130 A135 L136 E137 I189 A192 M193	N129-I133 WeakPolarHBondContact O-CG1 3.49Å; N129-I133 PolarHBondContact O-N 3.49Å; Q130-I133 PolarHBondContact O-N 3.18Å; I133-A135 PolarHBondContact O-N 3.04Å; I133-L136 PolarHBondContact O-N 3.23Å; I133-L136 VanDerWaalsContact O-N 3.13Å; I133-E137 HydrophobicContact CG2-CG 4.33Å; I133-E137 WeakPolarHBondContact O-CG 3.4Å; I133-E137 PolarHBondContact O-N 3.37Å; I133-I189 HydrophobicContact CG2-CG2 4.45Å; I133-A192 HydrophobicContact CD1-CB 4.11Å; I133-A192 HydrophobicContact CG1-CB 3.62Å; I133-M193 HydrophobicContact CD1-CG 4Å
134	A	70.8	Confident	65.2	Low	42 Å²	42	62.8 Å²	62.8	35%	0.347	32%	0.316	S	S	.	.	H	α-helix	trans	-63.8	-26.4	178.2	0	0	0	0	0	113.6	Q130 H131 R138	Q130-A134 PolarHBondContact O-N 2.88Å; H131-A134 PolarHBondContact O-N 3.11Å; A134-R138 WeakPolarHBondContact O-CG 3Å; A134-R138 PolarHBondContact O-N 2.78Å; A134-R138 PolarHBondContact O-NE 3.06Å
135	A	67.6	Low	67.1	Low	2 Å²	2	67.1 Å²	67.1	2%	0.017	33%	0.327	C	S	.	.	H	α-helix	trans	-70.5	-49	170.6	0	0	0	0	0	112	H131 R132 I133 E137 R138 Q139 D454	H131-A135 WeakPolarHBondContact O-CB 3.41Å; H131-A135 PolarHBondContact O-N 3.25Å; R132-A135 WeakPolarHBondContact O-CB 3.47Å; R132-A135 PolarHBondContact O-N 3.19Å; I133-A135 PolarHBondContact O-N 3.04Å; A135-E137 PolarHBondContact O-N 3.45Å; A135-R138 PolarHBondContact O-N 3.47Å; A135-Q139 PolarHBondContact O-N 2.71Å; A135-D454 HydrophobicContact CB-CB 4.04Å; A135-D454 WeakPolarHBondContact CB-OD2 3.48Å
136	L	69.4	Low	68.7	Low	5 Å²	5	61.1 Å²	61.1	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-63.4	-38.6	177.4	-70.1	168	0	0	0	112.3	R132 I133 Q139 L140 I185 Q188 I189 D454	R132-L136 HydrophobicContact CG-CD1 4.14Å; R132-L136 WeakPolarHBondContact O-CG 3.3Å; R132-L136 PolarHBondContact O-N 3.35Å; I133-L136 PolarHBondContact O-N 3.23Å; I133-L136 VanDerWaalsContact O-N 3.13Å; L136-Q139 PolarHBondContact O-N 3.32Å; L136-L140 WeakPolarHBondContact O-CB 3.35Å; L136-L140 PolarHBondContact O-N 2.99Å; L136-I185 HydrophobicContact CB-CG2 4.12Å; L136-I185 HydrophobicContact CD2-CG2 4.32Å; L136-I185 WeakPolarHBondContact O-CG2 3.43Å; L136-Q188 HydrophobicContact CD1-CB 3.84Å; L136-Q188 HydrophobicContact CD2-CB 4.35Å; L136-I189 HydrophobicContact CB-CD1 4.07Å; L136-I189 HydrophobicContact CB-CG1 3.55Å; L136-I189 HydrophobicContact CD1-CG1 4.24Å; L136-D454 HydrophobicContact CD2-CB 4.37Å
137	E	73.5	Confident	70.6	Confident	91 Å²	91	61.4 Å²	61.4	43%	0.425	31%	0.307	S	S	.	.	H	α-helix	trans	-65.2	-37.6	175.9	-73.6	179.7	154.6	0	0	112.8	I133 A135 L140 N141 I189	I133-E137 HydrophobicContact CG2-CG 4.33Å; I133-E137 WeakPolarHBondContact O-CG 3.4Å; I133-E137 PolarHBondContact O-N 3.37Å; A135-E137 PolarHBondContact O-N 3.45Å; E137-L140 PolarHBondContact O-N 3.31Å; E137-N141 PolarHBondContact O-N 2.96Å; E137-N141 VanDerWaalsContact O-N 3.12Å; E137-N141 PolarHBondContact O-ND2 3.03Å; E137-I189 HydrophobicContact CG-CD1 3.84Å; E137-I189 HydrophobicContact CG-CG1 4.37Å
138	R	73.4	Confident	72.2	Confident	131 Å²	131	64.5 Å²	64.5	49%	0.494	32%	0.318	S	S	.	.	H	α-helix	trans	-63.3	-45.6	171.4	-76.5	179.9	-71.2	151.2	-1.6	110.9	A134 A135 L140 N141 I142	A134-R138 WeakPolarHBondContact O-CG 3Å; A134-R138 PolarHBondContact O-N 2.78Å; A134-R138 PolarHBondContact O-NE 3.06Å; A135-R138 PolarHBondContact O-N 3.47Å; R138-L140 PolarHBondContact O-N 2.95Å; R138-N141 PolarHBondContact O-N 3.28Å; R138-I142 WeakPolarHBondContact O-CG1 3.45Å; R138-I142 PolarHBondContact O-N 3.18Å; R138-I142 VanDerWaalsContact O-N 3.09Å
139	Q	73.6	Confident	73.5	Confident	19 Å²	19	63.6 Å²	63.6	9%	0.089	31%	0.313	C	S	.	.	H	α-helix	trans	-64.1	-38	177.1	-173.3	57.4	32.9	0	0	112.4	A135 L136 N141 I142 E143 I185 N455	A135-Q139 PolarHBondContact O-N 2.71Å; L136-Q139 PolarHBondContact O-N 3.32Å; Q139-N141 VanDerWaalsContact C-N 3.32Å; Q139-N141 PolarHBondContact O-N 3.39Å; Q139-I142 PolarHBondContact O-N 3.35Å; Q139-E143 WeakPolarHBondContact O-CB 3.46Å; Q139-E143 PolarHBondContact O-N 2.95Å; Q139-I185 HydrophobicContact CB-CD1 4.46Å; Q139-I185 HydrophobicContact CG-CD1 3.78Å; Q139-N455 PolarHBondContact NE2-ND2 3.25Å; Q139-N455 VanDerWaalsContact NE2-ND2 3.19Å; Q139-N455 PolarHBondContact OE1-ND2 3.27Å
140	L	73.5	Confident	74.6	Confident	24 Å²	24	61.5 Å²	61.5	13%	0.126	30%	0.302	C	S	.	.	H	α-helix	trans	-58.7	-43.4	174.1	-178.2	57.7	0	0	0	111.6	L136 E137 R138 E143 L144 I182 I185 R186 I189	L136-L140 WeakPolarHBondContact O-CB 3.35Å; L136-L140 PolarHBondContact O-N 2.99Å; E137-L140 PolarHBondContact O-N 3.31Å; R138-L140 PolarHBondContact O-N 2.95Å; L140-E143 PolarHBondContact O-N 3.06Å; L140-L144 HydrophobicContact CD1-CD1 4.25Å; L140-L144 HydrophobicContact CD1-CG 4.37Å; L140-L144 HydrophobicContact CG-CD1 3.98Å; L140-L144 WeakPolarHBondContact O-CB 3.41Å; L140-L144 WeakPolarHBondContact O-CD1 3.28Å; L140-L144 VanDerWaalsContact O-CG 3.26Å; L140-L144 WeakPolarHBondContact O-CG 3.43Å; L140-L144 PolarHBondContact O-N 2.85Å; L140-I182 HydrophobicContact CD1-CB 4.28Å; L140-I182 HydrophobicContact CD1-CG1 4.25Å; L140-I182 HydrophobicContact CD1-CG2 3.93Å; L140-I185 HydrophobicContact CB-CG2 3.73Å; L140-I185 HydrophobicContact CD1-CB 4.45Å; L140-I185 HydrophobicContact CD1-CG2 4.37Å; L140-R186 HydrophobicContact CD1-CG 3.88Å; L140-R186 HydrophobicContact CD2-CG 3.88Å; L140-I189 HydrophobicContact CB-CD1 4.44Å; L140-I189 HydrophobicContact CD2-CD1 3.92Å
141	N	75.1	Confident	75.6	Confident	93 Å²	93	58.6 Å²	58.6	50%	0.497	29%	0.288	S	S	.	.	H	α-helix	trans	-68.8	-32.2	178.1	-81.4	-67.7	0	0	0	113.3	E137 R138 Q139 K145	E137-N141 PolarHBondContact O-N 2.96Å; E137-N141 VanDerWaalsContact O-N 3.12Å; E137-N141 PolarHBondContact O-ND2 3.03Å; R138-N141 PolarHBondContact O-N 3.28Å; Q139-N141 VanDerWaalsContact C-N 3.32Å; Q139-N141 PolarHBondContact O-N 3.39Å; N141-K145 WeakPolarHBondContact O-CG 3.18Å; N141-K145 PolarHBondContact O-N 3.46Å
142	I	75.6	Confident	76.5	Confident	90 Å²	90	56.5 Å²	56.5	46%	0.462	28%	0.282	S	S	.	.	H	α-helix	trans	-66.2	-49.8	171.5	-67	166.6	0	0	0	109.4	R138 Q139 L144 K145 V146	R138-I142 WeakPolarHBondContact O-CG1 3.45Å; R138-I142 PolarHBondContact O-N 3.18Å; R138-I142 VanDerWaalsContact O-N 3.09Å; Q139-I142 PolarHBondContact O-N 3.35Å; I142-L144 PolarHBondContact O-N 2.88Å; I142-K145 WeakPolarHBondContact O-CB 2.97Å; I142-K145 PolarHBondContact O-N 3.17Å; I142-V146 PolarHBondContact O-N 3.28Å; I142-V146 VanDerWaalsContact O-N 3.09Å
143	E	79.7	Confident	77.2	Confident	11 Å²	11	56.3 Å²	56.3	5%	0.051	29%	0.285	C	S	.	.	H	α-helix	trans	-67.2	-37.4	-176	-158.5	61.4	-115.6	0	0	112.4	Q139 L140 K145 V146 K147 S178 K181 I182 I185	Q139-E143 WeakPolarHBondContact O-CB 3.46Å; Q139-E143 PolarHBondContact O-N 2.95Å; L140-E143 PolarHBondContact O-N 3.06Å; E143-K145 PolarHBondContact O-N 3.31Å; E143-V146 WeakPolarHBondContact O-CB 3.45Å; E143-V146 PolarHBondContact O-N 2.94Å; E143-V146 VanDerWaalsContact O-N 3.08Å; E143-K147 PolarHBondContact O-N 2.78Å; E143-S178 PolarHBondContact O-OG 2.92Å; E143-S178 VanDerWaalsContact OE1-CA 3.27Å; E143-S178 WeakPolarHBondContact OE1-CA 3.23Å; E143-S178 WeakPolarHBondContact OE1-CB 3.37Å; E143-S178 PolarHBondContact OE1-OG 2.88Å; E143-K181 HydrophobicContact CG-CB 3.69Å; E143-K181 HydrophobicContact CG-CD 4.36Å; E143-K181 WeakPolarHBondContact OE2-CD 3.23Å; E143-I182 HydrophobicContact CB-CG1 3.9Å; E143-I182 HydrophobicContact CG-CD1 4.22Å; E143-I182 HydrophobicContact CG-CG1 3.7Å; E143-I185 HydrophobicContact CB-CD1 4.32Å
144	L	74.1	Confident	77.8	Confident	57 Å²	57	57 Å²	57	30%	0.298	29%	0.288	S	S	.	.	H	α-helix	trans	-57.8	-34.2	171	-77.2	164.1	0	0	0	112.7	L140 I142 Q148 I182	L140-L144 HydrophobicContact CD1-CD1 4.25Å; L140-L144 HydrophobicContact CD1-CG 4.37Å; L140-L144 HydrophobicContact CG-CD1 3.98Å; L140-L144 WeakPolarHBondContact O-CB 3.41Å; L140-L144 WeakPolarHBondContact O-CD1 3.28Å; L140-L144 VanDerWaalsContact O-CG 3.26Å; L140-L144 WeakPolarHBondContact O-CG 3.43Å; L140-L144 PolarHBondContact O-N 2.85Å; I142-L144 PolarHBondContact O-N 2.88Å; L144-Q148 WeakPolarHBondContact O-CB 3.37Å; L144-Q148 PolarHBondContact O-N 2.88Å; L144-I182 HydrophobicContact CD2-CD1 4Å; L144-I182 HydrophobicContact CD2-CG1 4.44Å; L144-I182 HydrophobicContact CD2-CG2 4.44Å; L144-I182 HydrophobicContact CG-CD1 4.28Å; L144-I182 HydrophobicContact CG-CG1 4.39Å
145	K	82.3	Confident	78.1	Confident	155 Å²	155	58.2 Å²	58.2	67%	0.674	29%	0.293	S	S	*	.	H	α-helix	trans	-73.6	-36.6	174.4	-68.2	168.7	-176	174.5	0	112	N141 I142 E143 Q148 G149	N141-K145 WeakPolarHBondContact O-CG 3.18Å; N141-K145 PolarHBondContact O-N 3.46Å; I142-K145 WeakPolarHBondContact O-CB 2.97Å; I142-K145 PolarHBondContact O-N 3.17Å; E143-K145 PolarHBondContact O-N 3.31Å; K145-Q148 PolarHBondContact O-N 3.12Å; K145-G149 PolarHBondContact O-N 2.88Å
146	V	80.8	Confident	78.6	Confident	52 Å²	52	63.3 Å²	63.3	32%	0.315	32%	0.318	S	S	.	.	H	α-helix	trans	-62.5	-48.5	173.4	176.4	0	0	0	0	110.3	I142 E143 Q148 G149 A150 M174	I142-V146 PolarHBondContact O-N 3.28Å; I142-V146 VanDerWaalsContact O-N 3.09Å; E143-V146 WeakPolarHBondContact O-CB 3.45Å; E143-V146 PolarHBondContact O-N 2.94Å; E143-V146 VanDerWaalsContact O-N 3.08Å; V146-Q148 PolarHBondContact O-N 3.48Å; V146-G149 PolarHBondContact O-N 3.42Å; V146-A150 PolarHBondContact O-N 3.05Å; V146-M174 HydrophobicContact CG1-CE 4.35Å
147	K	86.8	Confident	78.9	Confident	56 Å²	56	66.7 Å²	66.7	24%	0.243	33%	0.331	C	S	.	.	H	α-helix	trans	-52.8	-53.4	173.6	-174	-153.3	169.9	-140.6	0	111.6	E143 G149 A150 E151 L175 S178 K179 I182	E143-K147 PolarHBondContact O-N 2.78Å; K147-G149 VanDerWaalsContact C-N 3.31Å; K147-G149 PolarHBondContact O-N 3.12Å; K147-A150 PolarHBondContact O-N 2.81Å; K147-E151 VanDerWaalsContact CE-CD 3.41Å; K147-E151 WeakPolarHBondContact CE-OE1 3.47Å; K147-E151 WeakPolarHBondContact CE-OE2 3.43Å; K147-E151 IonicContact NZ-OE1 2.8Å; K147-E151 PolarHBondContact NZ-OE1 2.89Å; K147-E151 IonicContact NZ-OE2 2.66Å; K147-E151 PolarHBondContact NZ-OE2 3.5Å; K147-E151 VanDerWaalsContact NZ-OE2 3.08Å; K147-E151 WeakPolarHBondContact O-CG 3.47Å; K147-E151 PolarHBondContact O-N 3Å; K147-L175 HydrophobicContact CB-CD1 4.48Å; K147-L175 HydrophobicContact CG-CD1 3.59Å; K147-S178 WeakPolarHBondContact CA-OG 3.29Å; K147-S178 WeakPolarHBondContact CB-OG 3.16Å; K147-S178 PolarHBondContact N-OG 3.07Å; K147-S178 VanDerWaalsContact N-OG 3.08Å; K147-K179 HydrophobicContact CD-CG 4.42Å; K147-K179 HydrophobicContact CG-CG 4.26Å; K147-I182 HydrophobicContact CB-CD1 3.75Å; K147-I182 HydrophobicContact CD-CD1 3.86Å; K147-I182 HydrophobicContact CG-CD1 4.14Å
148	Q	81.3	Confident	78.6	Confident	97 Å²	97	66.2 Å²	66.2	45%	0.453	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-38.4	179.8	-172	65.3	64.6	0	0	112.1	L144 K145 V146 E151 N152	L144-Q148 WeakPolarHBondContact O-CB 3.37Å; L144-Q148 PolarHBondContact O-N 2.88Å; K145-Q148 PolarHBondContact O-N 3.12Å; V146-Q148 PolarHBondContact O-N 3.48Å; Q148-E151 PolarHBondContact O-N 3.31Å; Q148-N152 PolarHBondContact NE2-OD1 2.94Å; Q148-N152 WeakPolarHBondContact O-CB 3.48Å; Q148-N152 PolarHBondContact O-N 3.42Å; Q148-N152 PolarHBondContact O-ND2 3.03Å; Q148-N152 PolarHBondContact O-OD1 3.14Å
149	G	81.9	Confident	78	Confident	30 Å²	30	64.7 Å²	64.7	31%	0.309	35%	0.348	S	S	.	.	H	α-helix	trans	-60.2	-45.6	173.7	0	0	0	0	0	112.3	K145 V146 K147 N152 M153	K145-G149 PolarHBondContact O-N 2.88Å; V146-G149 PolarHBondContact O-N 3.42Å; K147-G149 VanDerWaalsContact C-N 3.31Å; K147-G149 PolarHBondContact O-N 3.12Å; G149-N152 PolarHBondContact O-N 3.12Å; G149-M153 WeakPolarHBondContact O-CG 3.34Å; G149-M153 PolarHBondContact O-N 3.05Å
150	A	82.2	Confident	77.1	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-66.7	-42.6	176.9	0	0	0	0	0	112.5	V146 K147 N152 M153 I154 M174 L175	V146-A150 PolarHBondContact O-N 3.05Å; K147-A150 PolarHBondContact O-N 2.81Å; A150-N152 VanDerWaalsContact C-N 3.28Å; A150-N152 PolarHBondContact O-N 3.07Å; A150-M153 HydrophobicContact CB-CE 4.47Å; A150-M153 PolarHBondContact O-N 3.05Å; A150-M153 VanDerWaalsContact O-N 3.15Å; A150-I154 WeakPolarHBondContact O-CG1 3.36Å; A150-I154 PolarHBondContact O-N 3.38Å; A150-I154 VanDerWaalsContact O-N 3.08Å; A150-M174 HydrophobicContact CB-CB 4.33Å; A150-L175 HydrophobicContact CB-CB 3.83Å; A150-L175 HydrophobicContact CB-CD1 4.34Å
151	E	85.1	Confident	76.1	Confident	53 Å²	53	68.3 Å²	68.3	25%	0.248	40%	0.395	C	S	.	.	H	α-helix	trans	-60.9	-35.1	174.2	-73.7	176.7	157.1	0	0	112.1	K147 Q148 P155 L175 K179	K147-E151 VanDerWaalsContact CE-CD 3.41Å; K147-E151 WeakPolarHBondContact CE-OE1 3.47Å; K147-E151 WeakPolarHBondContact CE-OE2 3.43Å; K147-E151 IonicContact NZ-OE1 2.8Å; K147-E151 PolarHBondContact NZ-OE1 2.89Å; K147-E151 IonicContact NZ-OE2 2.66Å; K147-E151 PolarHBondContact NZ-OE2 3.5Å; K147-E151 VanDerWaalsContact NZ-OE2 3.08Å; K147-E151 WeakPolarHBondContact O-CG 3.47Å; K147-E151 PolarHBondContact O-N 3Å; Q148-E151 PolarHBondContact O-N 3.31Å; E151-P155 WeakPolarHBondContact O-CD 3.28Å; E151-L175 HydrophobicContact CG-CD1 3.51Å; E151-L175 HydrophobicContact CG-CD2 3.69Å; E151-L175 HydrophobicContact CG-CG 4.26Å; E151-K179 WeakPolarHBondContact OE1-CE 3.44Å; E151-K179 IonicContact OE1-NZ 3.04Å
152	N	83.8	Confident	75	Confident	92 Å²	92	69.5 Å²	69.5	49%	0.492	41%	0.406	S	S	.	.	H	α-helix	trans	-75.1	-31.1	175.1	-67	-8.5	0	0	0	113	Q148 G149 A150 I156	Q148-N152 PolarHBondContact NE2-OD1 2.94Å; Q148-N152 WeakPolarHBondContact O-CB 3.48Å; Q148-N152 PolarHBondContact O-N 3.42Å; Q148-N152 PolarHBondContact O-ND2 3.03Å; Q148-N152 PolarHBondContact O-OD1 3.14Å; G149-N152 PolarHBondContact O-N 3.12Å; A150-N152 VanDerWaalsContact C-N 3.28Å; A150-N152 PolarHBondContact O-N 3.07Å; N152-I156 WeakPolarHBondContact O-CD1 3.49Å; N152-I156 WeakPolarHBondContact O-CG1 3.46Å
153	M	79.4	Confident	74.2	Confident	60 Å²	60	74.7 Å²	74.7	30%	0.296	43%	0.426	S	S	.	.	H	α-helix	trans	-75.5	-35.9	179.6	-77.9	-172.2	-62.4	0	0	113.5	G149 A150 I156 Y157 A171	G149-M153 WeakPolarHBondContact O-CG 3.34Å; G149-M153 PolarHBondContact O-N 3.05Å; A150-M153 HydrophobicContact CB-CE 4.47Å; A150-M153 PolarHBondContact O-N 3.05Å; A150-M153 VanDerWaalsContact O-N 3.15Å; M153-I156 WeakPolarHBondContact O-CB 3.16Å; M153-I156 PolarHBondContact O-N 3.21Å; M153-Y157 HydrophobicContact CB-CD2 4.2Å; M153-Y157 HydrophobicContact CB-CE2 3.98Å; M153-Y157 HydrophobicContact CG-CE2 4.28Å; M153-Y157 WeakPolarHBondContact O-CD2 3.5Å; M153-Y157 PolarHBondContact O-N 3.15Å; M153-Y157 VanDerWaalsContact O-N 3.15Å; M153-Y157 HydrophobicContact SD-CE2 4.39Å; M153-A171 HydrophobicContact CB-CB 4.16Å
154	I	84.4	Confident	73.6	Confident	37 Å²	37	78.1 Å²	78.1	19%	0.19	44%	0.444	C	S	.	.	H	α-helix	trans	-58.1	-48.7	-176	-73	163.4	0	0	0	112.5	A150 I156 Y157 S158 L168 A171 Q172 L175	A150-I154 WeakPolarHBondContact O-CG1 3.36Å; A150-I154 PolarHBondContact O-N 3.38Å; A150-I154 VanDerWaalsContact O-N 3.08Å; I154-I156 VanDerWaalsContact C-N 3.33Å; I154-I156 PolarHBondContact O-N 3.4Å; I154-Y157 PolarHBondContact O-N 2.95Å; I154-S158 WeakPolarHBondContact O-CB 3.44Å; I154-S158 PolarHBondContact O-N 3.44Å; I154-S158 PolarHBondContact O-OG 2.83Å; I154-L168 HydrophobicContact CG2-CD1 4.14Å; I154-A171 HydrophobicContact CG1-CB 3.92Å; I154-Q172 HydrophobicContact CD1-CG 4.11Å; I154-Q172 HydrophobicContact CG1-CG 4.23Å; I154-L175 HydrophobicContact CD1-CB 4.19Å; I154-L175 HydrophobicContact CD1-CD2 3.53Å
155	P	77.3	Confident	73.4	Confident	68 Å²	68	83.6 Å²	83.6	44%	0.442	47%	0.466	S	S	.	.	H	α-helix	trans	-55.2	-46.5	174.7	-28.1	36	0	0	0	112.6	E151 Y157 S158 S159	E151-P155 WeakPolarHBondContact O-CD 3.28Å; P155-Y157 VanDerWaalsContact C-N 3.33Å; P155-Y157 PolarHBondContact O-N 2.93Å; P155-S158 WeakPolarHBondContact CA-OG 3.42Å; P155-S158 PolarHBondContact O-N 2.64Å; P155-S158 VanDerWaalsContact O-N 3.08Å; P155-S158 PolarHBondContact O-OG 3.34Å; P155-S159 PolarHBondContact O-N 3.45Å; P155-S159 PolarHBondContact O-OG 3.43Å
156	I	78.4	Confident	72.9	Confident	108 Å²	108	83.7 Å²	83.7	55%	0.554	47%	0.466	S	S	*	.	H	α-helix	trans	-57.7	-44.1	-178.3	-59.6	171.3	0	0	0	111.4	N152 M153 I154 G160	N152-I156 WeakPolarHBondContact O-CD1 3.49Å; N152-I156 WeakPolarHBondContact O-CG1 3.46Å; M153-I156 WeakPolarHBondContact O-CB 3.16Å; M153-I156 PolarHBondContact O-N 3.21Å; I154-I156 VanDerWaalsContact C-N 3.33Å; I154-I156 PolarHBondContact O-N 3.4Å; I156-G160 PolarHBondContact O-N 3.17Å; I156-G160 VanDerWaalsContact O-N 3.09Å
157	Y	74.3	Confident	72.6	Confident	76 Å²	76	84.6 Å²	84.6	30%	0.298	47%	0.469	S	S	.	.	H	α-helix	trans	-82.4	-17.4	178.7	-62.4	-58.3	0	0	0	114.1	M153 I154 P155 L167	M153-Y157 HydrophobicContact CB-CD2 4.2Å; M153-Y157 HydrophobicContact CB-CE2 3.98Å; M153-Y157 HydrophobicContact CG-CE2 4.28Å; M153-Y157 WeakPolarHBondContact O-CD2 3.5Å; M153-Y157 PolarHBondContact O-N 3.15Å; M153-Y157 VanDerWaalsContact O-N 3.15Å; M153-Y157 HydrophobicContact SD-CE2 4.39Å; I154-Y157 PolarHBondContact O-N 2.95Å; P155-Y157 VanDerWaalsContact C-N 3.33Å; P155-Y157 PolarHBondContact O-N 2.93Å; Y157-L167 HydrophobicContact CD1-CB 4.17Å; Y157-L167 HydrophobicContact CD1-CD1 4.46Å; Y157-L167 HydrophobicContact CD2-CB 4.39Å; Y157-L167 HydrophobicContact CE1-CB 4.08Å; Y157-L167 HydrophobicContact CE1-CD1 3.78Å; Y157-L167 HydrophobicContact CE2-CB 4.29Å; Y157-L167 HydrophobicContact CG-CB 4.33Å
158	S	67.6	Low	72.2	Confident	81 Å²	81	83.8 Å²	83.8	57%	0.566	47%	0.467	S	S	*	.	H	α-helix	trans	-83	-31.7	174.6	74.1	0	0	0	0	113.3	I154 P155	I154-S158 WeakPolarHBondContact O-CB 3.44Å; I154-S158 PolarHBondContact O-N 3.44Å; I154-S158 PolarHBondContact O-OG 2.83Å; P155-S158 WeakPolarHBondContact CA-OG 3.42Å; P155-S158 PolarHBondContact O-N 2.64Å; P155-S158 VanDerWaalsContact O-N 3.08Å; P155-S158 PolarHBondContact O-OG 3.34Å
159	S	60.9	Low	71.8	Confident	100 Å²	100	85.2 Å²	85.2	70%	0.699	47%	0.473	S	S	*	.	H	α-helix	trans	-108.4	-11	-175.8	69.4	0	0	0	0	114.7	P155	P155-S159 PolarHBondContact O-N 3.45Å; P155-S159 PolarHBondContact O-OG 3.43Å
160	G	54.4	Low	71.4	Confident	31 Å²	31	87 Å²	87	32%	0.32	48%	0.479	S	S	.	.	S	Bend	trans	-70.2	141.3	178	0	0	0	0	0	113.7	I156 T162	I156-G160 PolarHBondContact O-N 3.17Å; I156-G160 VanDerWaalsContact O-N 3.09Å; G160-T162 PolarHBondContact O-N 2.89Å; G160-T162 VanDerWaalsContact O-N 3.08Å
161	G	52	Low	71.3	Confident	87 Å²	87	87.2 Å²	87.2	90%	0.897	48%	0.48	S	S	*	.	S	Bend	trans	-63.1	-15.1	-177.8	0	0	0	0	0	115.6
162	T	53.8	Low	70.9	Confident	118 Å²	118	89.5 Å²	89.5	72%	0.724	49%	0.491	S	S	*	.	S	Bend	trans	-101.5	100.7	171.2	50.8	0	0	0	0	109.9	G160 D164	G160-T162 PolarHBondContact O-N 2.89Å; G160-T162 VanDerWaalsContact O-N 3.08Å; T162-D164 PolarHBondContact O-N 3.1Å
163	K	57.3	Low	70.4	Confident	200 Å²	200	90.2 Å²	90.2	87%	0.87	49%	0.491	S	S	*	.			trans	-70.4	71.8	178.8	-66.5	-174.7	177.3	-176.5	0	112.3	K165	K163-K165 PolarHBondContact O-N 2.97Å
164	D	68.1	Low	70.2	Confident	83 Å²	83	91.1 Å²	91.1	44%	0.444	50%	0.496	S	S	.	.			trans	-79.3	72.4	177	-148.4	-22.6	0	0	0	110.4	T162 K166 L167 L168	T162-D164 PolarHBondContact O-N 3.1Å; D164-K166 PolarHBondContact O-N 3.46Å; D164-L167 HydrophobicContact CB-CB 4.45Å; D164-L167 HydrophobicContact CB-CD1 4.11Å; D164-L167 HydrophobicContact CB-CG 4.43Å; D164-L167 PolarHBondContact O-N 3.1Å; D164-L168 PolarHBondContact O-N 2.99Å
165	K	69.3	Low	69.9	Low	171 Å²	171	90.2 Å²	90.2	74%	0.743	49%	0.491	S	S	*	.	H	α-helix	trans	-51.2	-29.9	-171.3	-174	177.7	179	-178.7	0	113	K163 Q169	K163-K165 PolarHBondContact O-N 2.97Å; K165-Q169 WeakPolarHBondContact O-CB 3.39Å; K165-Q169 PolarHBondContact O-N 2.99Å; K165-Q169 VanDerWaalsContact O-N 3.11Å
166	K	72.8	Confident	69.4	Low	157 Å²	157	90.8 Å²	90.8	68%	0.683	49%	0.488	S	S	*	.	H	α-helix	trans	-69.2	-42.8	177.8	-167.2	176.4	-177.6	179.9	0	112.2	D164 Q169 T170	D164-K166 PolarHBondContact O-N 3.46Å; K166-Q169 PolarHBondContact O-N 3.41Å; K166-T170 PolarHBondContact O-N 2.89Å; K166-T170 PolarHBondContact O-OG1 3.47Å; K166-T170 VanDerWaalsContact O-OG1 3.08Å
167	L	74.3	Confident	68.8	Low	71 Å²	71	88 Å²	88	37%	0.372	47%	0.474	S	S	.	.	H	α-helix	trans	-68.3	-38.5	177.8	-69.4	176	0	0	0	111.9	Y157 D164 T170 A171	Y157-L167 HydrophobicContact CD1-CB 4.17Å; Y157-L167 HydrophobicContact CD1-CD1 4.46Å; Y157-L167 HydrophobicContact CD2-CB 4.39Å; Y157-L167 HydrophobicContact CE1-CB 4.08Å; Y157-L167 HydrophobicContact CE1-CD1 3.78Å; Y157-L167 HydrophobicContact CE2-CB 4.29Å; Y157-L167 HydrophobicContact CG-CB 4.33Å; D164-L167 HydrophobicContact CB-CB 4.45Å; D164-L167 HydrophobicContact CB-CD1 4.11Å; D164-L167 HydrophobicContact CB-CG 4.43Å; D164-L167 PolarHBondContact O-N 3.1Å; L167-T170 PolarHBondContact O-N 2.79Å; L167-A171 WeakPolarHBondContact O-CB 3.36Å; L167-A171 PolarHBondContact O-N 2.87Å
168	L	77.5	Confident	68.8	Low	39 Å²	39	84.3 Å²	84.3	20%	0.204	46%	0.46	C	S	.	.	H	α-helix	trans	-60.1	-46.8	172.7	-179.8	61.2	0	0	0	111.3	I154 D164 T170 A171 Q172	I154-L168 HydrophobicContact CG2-CD1 4.14Å; D164-L168 PolarHBondContact O-N 2.99Å; L168-T170 PolarHBondContact O-N 2.85Å; L168-A171 PolarHBondContact O-N 2.93Å; L168-Q172 HydrophobicContact CD1-CG 4.41Å; L168-Q172 WeakPolarHBondContact O-CB 3.08Å; L168-Q172 VanDerWaalsContact O-CG 3.3Å; L168-Q172 WeakPolarHBondContact O-CG 3.37Å; L168-Q172 PolarHBondContact O-N 3.43Å
169	Q	73.9	Confident	68.9	Low	127 Å²	127	84 Å²	84	59%	0.593	45%	0.448	S	S	*	.	H	α-helix	trans	-62.1	-41.6	177	-172.5	177.8	8.9	0	0	112	K165 K166 Q172 Q173	K165-Q169 WeakPolarHBondContact O-CB 3.39Å; K165-Q169 PolarHBondContact O-N 2.99Å; K165-Q169 VanDerWaalsContact O-N 3.11Å; K166-Q169 PolarHBondContact O-N 3.41Å; Q169-Q172 PolarHBondContact O-N 3.09Å; Q169-Q173 WeakPolarHBondContact O-CB 3.16Å; Q169-Q173 PolarHBondContact O-N 3.28Å
170	T	73.8	Confident	68.7	Low	69 Å²	69	79.8 Å²	79.8	42%	0.423	42%	0.418	S	S	.	.	H	α-helix	trans	-63.5	-43.2	174.9	-60.3	0	0	0	0	112	K166 L167 L168 Q172 Q173 M174	K166-T170 PolarHBondContact O-N 2.89Å; K166-T170 PolarHBondContact O-OG1 3.47Å; K166-T170 VanDerWaalsContact O-OG1 3.08Å; L167-T170 PolarHBondContact O-N 2.79Å; L168-T170 PolarHBondContact O-N 2.85Å; T170-Q172 PolarHBondContact O-N 2.87Å; T170-Q173 PolarHBondContact O-N 3.26Å; T170-M174 HydrophobicContact CG2-CG 4.47Å; T170-M174 HydrophobicContact CG2-SD 4.2Å; T170-M174 WeakPolarHBondContact O-CB 3.45Å; T170-M174 VanDerWaalsContact O-CG 3.31Å; T170-M174 WeakPolarHBondContact O-CG 3.28Å; T170-M174 PolarHBondContact O-N 2.97Å
171	A	78.2	Confident	69.2	Low	3 Å²	3	80 Å²	80	3%	0.025	41%	0.41	C	S	.	.	H	α-helix	trans	-65.5	-37.6	177	0	0	0	0	0	112.4	M153 I154 L167 L168 L175	M153-A171 HydrophobicContact CB-CB 4.16Å; I154-A171 HydrophobicContact CG1-CB 3.92Å; L167-A171 WeakPolarHBondContact O-CB 3.36Å; L167-A171 PolarHBondContact O-N 2.87Å; L168-A171 PolarHBondContact O-N 2.93Å; A171-L175 WeakPolarHBondContact O-CB 3.17Å; A171-L175 PolarHBondContact O-N 3.3Å
172	Q	77.1	Confident	70.1	Confident	102 Å²	102	76.1 Å²	76.1	48%	0.477	37%	0.369	S	S	.	.	H	α-helix	trans	-64.7	-43.4	173.5	-73.8	172.6	-33.5	0	0	112.2	I154 L168 Q169 T170 L175 Q176	I154-Q172 HydrophobicContact CD1-CG 4.11Å; I154-Q172 HydrophobicContact CG1-CG 4.23Å; L168-Q172 HydrophobicContact CD1-CG 4.41Å; L168-Q172 WeakPolarHBondContact O-CB 3.08Å; L168-Q172 VanDerWaalsContact O-CG 3.3Å; L168-Q172 WeakPolarHBondContact O-CG 3.37Å; L168-Q172 PolarHBondContact O-N 3.43Å; Q169-Q172 PolarHBondContact O-N 3.09Å; T170-Q172 PolarHBondContact O-N 2.87Å; Q172-L175 PolarHBondContact O-N 3.22Å; Q172-Q176 PolarHBondContact O-N 3.44Å; Q172-Q176 VanDerWaalsContact O-N 3.11Å
173	Q	73.1	Confident	70.3	Confident	107 Å²	107	73.5 Å²	73.5	50%	0.5	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-50.4	175.6	-171.7	64.2	48.7	0	0	111.2	Q169 T170 L175 Q176 D177	Q169-Q173 WeakPolarHBondContact O-CB 3.16Å; Q169-Q173 PolarHBondContact O-N 3.28Å; T170-Q173 PolarHBondContact O-N 3.26Å; Q173-L175 PolarHBondContact O-N 3.24Å; Q173-Q176 PolarHBondContact O-N 3.49Å; Q173-D177 PolarHBondContact NE2-OD1 2.93Å; Q173-D177 VanDerWaalsContact O-CG 3.23Å; Q173-D177 PolarHBondContact O-N 2.61Å
174	M	74.9	Confident	70.3	Confident	78 Å²	78	64.8 Å²	64.8	38%	0.384	31%	0.313	S	S	.	.	H	α-helix	trans	-55.4	-39.1	176.7	-73.5	178.7	69.1	0	0	112.2	V146 A150 T170 S178	V146-M174 HydrophobicContact CG1-CE 4.35Å; A150-M174 HydrophobicContact CB-CB 4.33Å; T170-M174 HydrophobicContact CG2-CG 4.47Å; T170-M174 HydrophobicContact CG2-SD 4.2Å; T170-M174 WeakPolarHBondContact O-CB 3.45Å; T170-M174 VanDerWaalsContact O-CG 3.31Å; T170-M174 WeakPolarHBondContact O-CG 3.28Å; T170-M174 PolarHBondContact O-N 2.97Å; M174-S178 WeakPolarHBondContact O-CB 3.32Å; M174-S178 PolarHBondContact O-N 2.87Å
175	L	78.2	Confident	70.1	Confident	18 Å²	18	61.2 Å²	61.2	9%	0.094	29%	0.294	C	S	.	.	H	α-helix	trans	-64.6	-42.3	176	-178.5	53.4	0	0	0	112.3	K147 A150 E151 I154 A171 Q172 Q173 K179	K147-L175 HydrophobicContact CB-CD1 4.48Å; K147-L175 HydrophobicContact CG-CD1 3.59Å; A150-L175 HydrophobicContact CB-CB 3.83Å; A150-L175 HydrophobicContact CB-CD1 4.34Å; E151-L175 HydrophobicContact CG-CD1 3.51Å; E151-L175 HydrophobicContact CG-CD2 3.69Å; E151-L175 HydrophobicContact CG-CG 4.26Å; I154-L175 HydrophobicContact CD1-CB 4.19Å; I154-L175 HydrophobicContact CD1-CD2 3.53Å; A171-L175 WeakPolarHBondContact O-CB 3.17Å; A171-L175 PolarHBondContact O-N 3.3Å; Q172-L175 PolarHBondContact O-N 3.22Å; Q173-L175 PolarHBondContact O-N 3.24Å; L175-K179 HydrophobicContact CD1-CD 4.12Å; L175-K179 HydrophobicContact CD1-CG 4.17Å; L175-K179 HydrophobicContact CG-CD 4.17Å; L175-K179 WeakPolarHBondContact O-CB 3.39Å; L175-K179 VanDerWaalsContact O-CG 3.32Å; L175-K179 WeakPolarHBondContact O-CG 3.33Å; L175-K179 PolarHBondContact O-N 2.86Å
176	Q	67.8	Low	70	Confident	81 Å²	81	58.4 Å²	58.4	38%	0.379	28%	0.279	S	S	.	.	H	α-helix	trans	-69.3	-42.2	-178.8	-174	62.3	9.5	0	0	112.1	Q172 Q173 T180	Q172-Q176 PolarHBondContact O-N 3.44Å; Q172-Q176 VanDerWaalsContact O-N 3.11Å; Q173-Q176 PolarHBondContact O-N 3.49Å; Q176-T180 WeakPolarHBondContact O-CB 3.47Å; Q176-T180 PolarHBondContact O-N 2.97Å; Q176-T180 VanDerWaalsContact O-N 3.13Å; Q176-T180 PolarHBondContact O-OG1 3.48Å
177	D	65.9	Low	69.4	Low	48 Å²	48	54.9 Å²	54.9	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-62.8	-46.4	175.2	-59.8	-17.4	0	0	0	110	Q173 T180 K181	Q173-D177 PolarHBondContact NE2-OD1 2.93Å; Q173-D177 VanDerWaalsContact O-CG 3.23Å; Q173-D177 PolarHBondContact O-N 2.61Å; D177-T180 WeakPolarHBondContact O-CB 3.39Å; D177-T180 PolarHBondContact O-N 3.38Å; D177-K181 WeakPolarHBondContact O-CG 3.44Å; D177-K181 PolarHBondContact O-N 2.98Å
178	S	74.2	Confident	68.7	Low	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.3	-44.6	-177.6	-169.4	0	0	0	0	112.8	E143 K147 M174 T180 K181 I182	E143-S178 PolarHBondContact O-OG 2.92Å; E143-S178 VanDerWaalsContact OE1-CA 3.27Å; E143-S178 WeakPolarHBondContact OE1-CA 3.23Å; E143-S178 WeakPolarHBondContact OE1-CB 3.37Å; E143-S178 PolarHBondContact OE1-OG 2.88Å; K147-S178 WeakPolarHBondContact CA-OG 3.29Å; K147-S178 WeakPolarHBondContact CB-OG 3.16Å; K147-S178 PolarHBondContact N-OG 3.07Å; K147-S178 VanDerWaalsContact N-OG 3.08Å; M174-S178 WeakPolarHBondContact O-CB 3.32Å; M174-S178 PolarHBondContact O-N 2.87Å; S178-T180 VanDerWaalsContact C-N 3.3Å; S178-T180 PolarHBondContact O-N 3.21Å; S178-K181 PolarHBondContact O-N 2.84Å; S178-I182 WeakPolarHBondContact O-CD1 3.46Å; S178-I182 VanDerWaalsContact O-CG1 3.27Å; S178-I182 WeakPolarHBondContact O-CG1 3.44Å; S178-I182 PolarHBondContact O-N 2.76Å
179	K	69.5	Low	68.2	Low	75 Å²	75	50.4 Å²	50.4	33%	0.326	24%	0.242	S	C	.	.	H	α-helix	trans	-56	-45.1	171.1	-77.4	173.2	174.4	173.4	0	111.6	K147 E151 L175 I182 D183	K147-K179 HydrophobicContact CD-CG 4.42Å; K147-K179 HydrophobicContact CG-CG 4.26Å; E151-K179 WeakPolarHBondContact OE1-CE 3.44Å; E151-K179 IonicContact OE1-NZ 3.04Å; L175-K179 HydrophobicContact CD1-CD 4.12Å; L175-K179 HydrophobicContact CD1-CG 4.17Å; L175-K179 HydrophobicContact CG-CD 4.17Å; L175-K179 WeakPolarHBondContact O-CB 3.39Å; L175-K179 VanDerWaalsContact O-CG 3.32Å; L175-K179 WeakPolarHBondContact O-CG 3.33Å; L175-K179 PolarHBondContact O-N 2.86Å; K179-I182 PolarHBondContact O-N 3.37Å; K179-D183 PolarHBondContact O-N 3.14Å
180	T	57.7	Low	67.6	Low	10 Å²	10	51.7 Å²	51.7	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-63.9	-43.1	-179.5	-61.8	0	0	0	0	112.1	Q176 D177 S178 D183 I184 R483	Q176-T180 WeakPolarHBondContact O-CB 3.47Å; Q176-T180 PolarHBondContact O-N 2.97Å; Q176-T180 VanDerWaalsContact O-N 3.13Å; Q176-T180 PolarHBondContact O-OG1 3.48Å; D177-T180 WeakPolarHBondContact O-CB 3.39Å; D177-T180 PolarHBondContact O-N 3.38Å; S178-T180 VanDerWaalsContact C-N 3.3Å; S178-T180 PolarHBondContact O-N 3.21Å; T180-D183 PolarHBondContact O-N 3.48Å; T180-I184 HydrophobicContact CG2-CD1 4.27Å; T180-I184 WeakPolarHBondContact O-CG1 3.49Å; T180-I184 PolarHBondContact O-N 2.75Å; T180-R483 HydrophobicContact CG2-CG 3.76Å
181	K	64.3	Low	66.9	Low	36 Å²	36	52.3 Å²	52.3	16%	0.157	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-44.4	175.3	-69.8	175.9	-167.6	-152.3	0	112	E143 D177 S178 D183 I184 I185 P479	E143-K181 HydrophobicContact CG-CB 3.69Å; E143-K181 HydrophobicContact CG-CD 4.36Å; E143-K181 WeakPolarHBondContact OE2-CD 3.23Å; D177-K181 WeakPolarHBondContact O-CG 3.44Å; D177-K181 PolarHBondContact O-N 2.98Å; S178-K181 PolarHBondContact O-N 2.84Å; K181-D183 VanDerWaalsContact C-N 3.33Å; K181-D183 PolarHBondContact O-N 2.69Å; K181-I184 PolarHBondContact O-N 3.33Å; K181-I185 HydrophobicContact CB-CD1 4.36Å; K181-I185 WeakPolarHBondContact O-CB 3.5Å; K181-I185 WeakPolarHBondContact O-CD1 3.28Å; K181-I185 WeakPolarHBondContact O-CG1 3.4Å; K181-I185 PolarHBondContact O-N 3.45Å; K181-P479 WeakPolarHBondContact CE-O 3.45Å; K181-P479 PolarHBondContact NZ-O 2.86Å
182	I	71.3	Confident	66.2	Low	5 Å²	5	52.6 Å²	52.6	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-54.4	-47.2	177.2	-75.1	158.5	0	0	0	111.8	L140 E143 L144 K147 S178 K179 I184 R186	L140-I182 HydrophobicContact CD1-CB 4.28Å; L140-I182 HydrophobicContact CD1-CG1 4.25Å; L140-I182 HydrophobicContact CD1-CG2 3.93Å; E143-I182 HydrophobicContact CB-CG1 3.9Å; E143-I182 HydrophobicContact CG-CD1 4.22Å; E143-I182 HydrophobicContact CG-CG1 3.7Å; L144-I182 HydrophobicContact CD2-CD1 4Å; L144-I182 HydrophobicContact CD2-CG1 4.44Å; L144-I182 HydrophobicContact CD2-CG2 4.44Å; L144-I182 HydrophobicContact CG-CD1 4.28Å; L144-I182 HydrophobicContact CG-CG1 4.39Å; K147-I182 HydrophobicContact CB-CD1 3.75Å; K147-I182 HydrophobicContact CD-CD1 3.86Å; K147-I182 HydrophobicContact CG-CD1 4.14Å; S178-I182 WeakPolarHBondContact O-CD1 3.46Å; S178-I182 VanDerWaalsContact O-CG1 3.27Å; S178-I182 WeakPolarHBondContact O-CG1 3.44Å; S178-I182 PolarHBondContact O-N 2.76Å; K179-I182 PolarHBondContact O-N 3.37Å; I182-I184 VanDerWaalsContact C-N 3.34Å; I182-I184 PolarHBondContact O-N 3.45Å; I182-R186 WeakPolarHBondContact O-CB 3.18Å; I182-R186 WeakPolarHBondContact O-CD 3.48Å; I182-R186 VanDerWaalsContact O-CG 3.22Å; I182-R186 WeakPolarHBondContact O-CG 3.41Å; I182-R186 PolarHBondContact O-N 2.87Å
183	D	57.7	Low	65.5	Low	64 Å²	64	51.5 Å²	51.5	34%	0.342	24%	0.236	S	C	.	.	H	α-helix	trans	-63.9	-40.6	-178.9	-64.4	-23.6	0	0	0	112	K179 T180 K181 R186 M187 R483	K179-D183 PolarHBondContact O-N 3.14Å; T180-D183 PolarHBondContact O-N 3.48Å; K181-D183 VanDerWaalsContact C-N 3.33Å; K181-D183 PolarHBondContact O-N 2.69Å; D183-R186 PolarHBondContact O-N 2.97Å; D183-M187 WeakPolarHBondContact O-CB 3.24Å; D183-M187 PolarHBondContact O-N 3.03Å; D183-R483 IonicContact OD2-NH2 2.8Å; D183-R483 PolarHBondContact OD2-NH2 2.83Å
184	I	56.5	Low	64.7	Low	16 Å²	16	51.5 Å²	51.5	8%	0.082	24%	0.236	C	C	.	.	H	α-helix	trans	-74.9	-39.6	-178.1	-66.3	175.8	0	0	0	111	T180 K181 I182 R186 M187 Q188 L453 I481	T180-I184 HydrophobicContact CG2-CD1 4.27Å; T180-I184 WeakPolarHBondContact O-CG1 3.49Å; T180-I184 PolarHBondContact O-N 2.75Å; K181-I184 PolarHBondContact O-N 3.33Å; I182-I184 VanDerWaalsContact C-N 3.34Å; I182-I184 PolarHBondContact O-N 3.45Å; I184-R186 VanDerWaalsContact C-N 3.33Å; I184-R186 PolarHBondContact O-N 3.03Å; I184-M187 HydrophobicContact CG2-CE 4.34Å; I184-M187 WeakPolarHBondContact O-CB 3.2Å; I184-M187 PolarHBondContact O-N 3.44Å; I184-M187 VanDerWaalsContact O-N 3.13Å; I184-Q188 HydrophobicContact CG2-CG 4.39Å; I184-Q188 WeakPolarHBondContact O-CG 3.3Å; I184-Q188 PolarHBondContact O-N 2.99Å; I184-L453 HydrophobicContact CG2-CD1 4.1Å; I184-I481 HydrophobicContact CB-CD1 4.06Å; I184-I481 HydrophobicContact CD1-CB 4Å; I184-I481 HydrophobicContact CD1-CD1 3.73Å; I184-I481 HydrophobicContact CD1-CG1 4.43Å; I184-I481 HydrophobicContact CD1-CG2 3.56Å; I184-I481 HydrophobicContact CG1-CD1 4.49Å; I184-I481 HydrophobicContact CG2-CD1 3.71Å
185	I	63.4	Low	63.8	Low	8 Å²	8	50.2 Å²	50.2	4%	0.041	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-44	172.4	-63.4	158.5	0	0	0	109.8	L136 Q139 L140 E143 K181 M187 Q188 I189	L136-I185 HydrophobicContact CB-CG2 4.12Å; L136-I185 HydrophobicContact CD2-CG2 4.32Å; L136-I185 WeakPolarHBondContact O-CG2 3.43Å; Q139-I185 HydrophobicContact CB-CD1 4.46Å; Q139-I185 HydrophobicContact CG-CD1 3.78Å; L140-I185 HydrophobicContact CB-CG2 3.73Å; L140-I185 HydrophobicContact CD1-CB 4.45Å; L140-I185 HydrophobicContact CD1-CG2 4.37Å; E143-I185 HydrophobicContact CB-CD1 4.32Å; K181-I185 HydrophobicContact CB-CD1 4.36Å; K181-I185 WeakPolarHBondContact O-CB 3.5Å; K181-I185 WeakPolarHBondContact O-CD1 3.28Å; K181-I185 WeakPolarHBondContact O-CG1 3.4Å; K181-I185 PolarHBondContact O-N 3.45Å; I185-M187 VanDerWaalsContact C-N 3.31Å; I185-M187 PolarHBondContact O-N 2.85Å; I185-Q188 PolarHBondContact O-N 3.2Å; I185-I189 HydrophobicContact CG2-CD1 3.91Å; I185-I189 HydrophobicContact CG2-CG1 4.48Å; I185-I189 VanDerWaalsContact O-CG1 3.28Å; I185-I189 WeakPolarHBondContact O-CG1 3.35Å; I185-I189 PolarHBondContact O-N 3.17Å
186	R	68.3	Low	62.8	Low	113 Å²	113	50.3 Å²	50.3	43%	0.426	24%	0.24	S	C	.	.	H	α-helix	trans	-62.5	-33.5	173	-74.2	167.5	169.5	-177	-6.4	113.5	L140 I182 D183 I184 R190	L140-R186 HydrophobicContact CD1-CG 3.88Å; L140-R186 HydrophobicContact CD2-CG 3.88Å; I182-R186 WeakPolarHBondContact O-CB 3.18Å; I182-R186 WeakPolarHBondContact O-CD 3.48Å; I182-R186 VanDerWaalsContact O-CG 3.22Å; I182-R186 WeakPolarHBondContact O-CG 3.41Å; I182-R186 PolarHBondContact O-N 2.87Å; D183-R186 PolarHBondContact O-N 2.97Å; I184-R186 VanDerWaalsContact C-N 3.33Å; I184-R186 PolarHBondContact O-N 3.03Å; R186-R190 WeakPolarHBondContact O-CG 3.45Å; R186-R190 PolarHBondContact O-N 3Å; R186-R190 PolarHBondContact O-NE 2.62Å; R186-R190 VanDerWaalsContact O-NE 3.14Å
187	M	59.9	Low	61.9	Low	82 Å²	82	52 Å²	52	40%	0.404	25%	0.247	S	C	.	.	H	α-helix	trans	-69.6	-44.7	173.7	-176.9	-177.3	68.7	0	0	111.2	D183 I184 I185 R190 K191	D183-M187 WeakPolarHBondContact O-CB 3.24Å; D183-M187 PolarHBondContact O-N 3.03Å; I184-M187 HydrophobicContact CG2-CE 4.34Å; I184-M187 WeakPolarHBondContact O-CB 3.2Å; I184-M187 PolarHBondContact O-N 3.44Å; I184-M187 VanDerWaalsContact O-N 3.13Å; I185-M187 VanDerWaalsContact C-N 3.31Å; I185-M187 PolarHBondContact O-N 2.85Å; M187-R190 PolarHBondContact O-N 3.28Å; M187-K191 WeakPolarHBondContact O-CB 3.39Å; M187-K191 PolarHBondContact O-N 2.88Å
188	Q	59.5	Low	61	Low	3 Å²	3	56.1 Å²	56.1	1%	0.014	27%	0.265	C	S	.	.	H	α-helix	trans	-67.2	-37.8	178.7	-68.9	-69.8	-7.7	0	0	111.9	L136 I184 I185 K191 A192 E450	L136-Q188 HydrophobicContact CD1-CB 3.84Å; L136-Q188 HydrophobicContact CD2-CB 4.35Å; I184-Q188 HydrophobicContact CG2-CG 4.39Å; I184-Q188 WeakPolarHBondContact O-CG 3.3Å; I184-Q188 PolarHBondContact O-N 2.99Å; I185-Q188 PolarHBondContact O-N 3.2Å; Q188-K191 PolarHBondContact O-N 2.85Å; Q188-A192 WeakPolarHBondContact O-CB 3.49Å; Q188-A192 PolarHBondContact O-N 2.77Å; Q188-E450 PolarHBondContact NE2-OE1 2.74Å; Q188-E450 VanDerWaalsContact NE2-OE1 3.14Å
189	I	66.4	Low	59.7	Low	14 Å²	14	58.6 Å²	58.6	7%	0.072	28%	0.282	C	S	.	.	H	α-helix	trans	-58.4	-52.3	170.7	-69.3	162.5	0	0	0	109.9	I133 L136 E137 L140 I185 K191 A192 M193	I133-I189 HydrophobicContact CG2-CG2 4.45Å; L136-I189 HydrophobicContact CB-CD1 4.07Å; L136-I189 HydrophobicContact CB-CG1 3.55Å; L136-I189 HydrophobicContact CD1-CG1 4.24Å; E137-I189 HydrophobicContact CG-CD1 3.84Å; E137-I189 HydrophobicContact CG-CG1 4.37Å; L140-I189 HydrophobicContact CB-CD1 4.44Å; L140-I189 HydrophobicContact CD2-CD1 3.92Å; I185-I189 HydrophobicContact CG2-CD1 3.91Å; I185-I189 HydrophobicContact CG2-CG1 4.48Å; I185-I189 VanDerWaalsContact O-CG1 3.28Å; I185-I189 WeakPolarHBondContact O-CG1 3.35Å; I185-I189 PolarHBondContact O-N 3.17Å; I189-K191 VanDerWaalsContact C-N 3.33Å; I189-K191 PolarHBondContact O-N 2.89Å; I189-A192 PolarHBondContact O-N 3Å; I189-M193 HydrophobicContact CG2-CG 4.26Å; I189-M193 HydrophobicContact CG2-SD 3.73Å; I189-M193 WeakPolarHBondContact O-CB 3.29Å; I189-M193 VanDerWaalsContact O-CG 3.29Å; I189-M193 WeakPolarHBondContact O-CG 3.22Å; I189-M193 PolarHBondContact O-N 3.03Å
190	R	61.5	Low	58.4	Low	153 Å²	153	61.7 Å²	61.7	58%	0.577	30%	0.302	S	S	*	.	H	α-helix	trans	-59.1	-40.5	177.2	-73.9	-179.3	-69.6	172.6	0.9	112.8	R186 M187 M193 Q194	R186-R190 WeakPolarHBondContact O-CG 3.45Å; R186-R190 PolarHBondContact O-N 3Å; R186-R190 PolarHBondContact O-NE 2.62Å; R186-R190 VanDerWaalsContact O-NE 3.14Å; M187-R190 PolarHBondContact O-N 3.28Å; R190-M193 PolarHBondContact O-N 2.78Å; R190-Q194 WeakPolarHBondContact O-CB 3.48Å; R190-Q194 VanDerWaalsContact O-CG 3.28Å; R190-Q194 WeakPolarHBondContact O-CG 3.45Å; R190-Q194 PolarHBondContact O-N 2.89Å
191	K	60.6	Low	57.5	Low	83 Å²	83	68.4 Å²	68.4	36%	0.361	34%	0.338	S	S	.	.	H	α-helix	trans	-63.3	-42.1	176.6	-174.2	177.9	175.1	-179.5	0	111.7	M187 Q188 I189 A195 E450	M187-K191 WeakPolarHBondContact O-CB 3.39Å; M187-K191 PolarHBondContact O-N 2.88Å; Q188-K191 PolarHBondContact O-N 2.85Å; I189-K191 VanDerWaalsContact C-N 3.33Å; I189-K191 PolarHBondContact O-N 2.89Å; K191-A195 WeakPolarHBondContact O-CB 3.5Å; K191-A195 PolarHBondContact O-N 3.4Å; K191-A195 VanDerWaalsContact O-N 3.13Å; K191-E450 IonicContact NZ-OE1 3.32Å; K191-E450 PolarHBondContact NZ-OE1 3.39Å
192	A	61.9	Low	56.2	Low	9 Å²	9	72.3 Å²	72.3	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-73.3	-36.7	177.8	0	0	0	0	0	113	I133 Q188 I189 A195 T196	I133-A192 HydrophobicContact CD1-CB 4.11Å; I133-A192 HydrophobicContact CG1-CB 3.62Å; Q188-A192 WeakPolarHBondContact O-CB 3.49Å; Q188-A192 PolarHBondContact O-N 2.77Å; I189-A192 PolarHBondContact O-N 3Å; A192-A195 PolarHBondContact O-N 2.79Å; A192-T196 PolarHBondContact O-N 2.93Å; A192-T196 PolarHBondContact O-OG1 2.86Å
193	M	62.5	Low	54.7	Low	78 Å²	78	82.2 Å²	82.2	38%	0.384	41%	0.407	S	S	.	.	H	α-helix	trans	-62.2	-49.1	172.3	-71.1	175.7	74.1	0	0	111.1	I133 I189 R190 A195 T196 E197	I133-M193 HydrophobicContact CD1-CG 4Å; I189-M193 HydrophobicContact CG2-CG 4.26Å; I189-M193 HydrophobicContact CG2-SD 3.73Å; I189-M193 WeakPolarHBondContact O-CB 3.29Å; I189-M193 VanDerWaalsContact O-CG 3.29Å; I189-M193 WeakPolarHBondContact O-CG 3.22Å; I189-M193 PolarHBondContact O-N 3.03Å; R190-M193 PolarHBondContact O-N 2.78Å; M193-A195 VanDerWaalsContact C-N 3.29Å; M193-A195 PolarHBondContact O-N 2.63Å; M193-T196 CarbonylContact O-C 3.6Å; M193-T196 WeakPolarHBondContact O-CA 3.42Å; M193-T196 WeakPolarHBondContact O-CB 3.44Å; M193-T196 PolarHBondContact O-N 2.86Å; M193-E197 WeakPolarHBondContact O-CG 3.32Å; M193-E197 PolarHBondContact O-N 3.25Å
194	Q	57	Low	53.8	Low	108 Å²	108	82.7 Å²	82.7	51%	0.505	42%	0.415	S	S	.	.	H	α-helix	trans	-60.8	-36.2	177	-73.5	173.3	-2.5	0	0	112.8	R190 T196 Q198	R190-Q194 WeakPolarHBondContact O-CB 3.48Å; R190-Q194 VanDerWaalsContact O-CG 3.28Å; R190-Q194 WeakPolarHBondContact O-CG 3.45Å; R190-Q194 PolarHBondContact O-N 2.89Å; Q194-T196 PolarHBondContact O-N 3.28Å; Q194-Q198 WeakPolarHBondContact O-CB 3.12Å; Q194-Q198 WeakPolarHBondContact O-CG 3.11Å; Q194-Q198 PolarHBondContact O-N 3.14Å; Q194-Q198 VanDerWaalsContact O-N 3.08Å
195	A	56.2	Low	53.1	Low	50 Å²	50	87.4 Å²	87.4	41%	0.413	44%	0.44	S	S	.	.	H	α-helix	trans	-69.8	-13.5	173.2	0	0	0	0	0	113.7	K191 A192 M193	K191-A195 WeakPolarHBondContact O-CB 3.5Å; K191-A195 PolarHBondContact O-N 3.4Å; K191-A195 VanDerWaalsContact O-N 3.13Å; A192-A195 PolarHBondContact O-N 2.79Å; M193-A195 VanDerWaalsContact C-N 3.29Å; M193-A195 PolarHBondContact O-N 2.63Å
196	T	56	Low	52.3	Low	21 Å²	21	91.5 Å²	91.5	13%	0.129	47%	0.468	C	S	.	.	H	α-helix	trans	-94.5	-45.2	174	-49.6	0	0	0	0	110.3	A192 M193 Q194 Q198 S199	A192-T196 PolarHBondContact O-N 2.93Å; A192-T196 PolarHBondContact O-OG1 2.86Å; M193-T196 CarbonylContact O-C 3.6Å; M193-T196 WeakPolarHBondContact O-CA 3.42Å; M193-T196 WeakPolarHBondContact O-CB 3.44Å; M193-T196 PolarHBondContact O-N 2.86Å; Q194-T196 PolarHBondContact O-N 3.28Å; T196-Q198 VanDerWaalsContact C-N 3.31Å; T196-Q198 PolarHBondContact O-N 3.48Å; T196-S199 WeakPolarHBondContact O-CB 3.46Å; T196-S199 PolarHBondContact O-N 2.81Å; T196-S199 PolarHBondContact O-OG 2.92Å
197	E	49.5	Very low	51.4	Low	115 Å²	115	91.1 Å²	91.1	54%	0.537	47%	0.474	S	S	.	.	H	α-helix	trans	-60	-36.7	176.7	-69.1	168.1	170.9	0	0	112.6	M193 S199 D200	M193-E197 WeakPolarHBondContact O-CG 3.32Å; M193-E197 PolarHBondContact O-N 3.25Å; E197-S199 PolarHBondContact O-N 2.89Å; E197-S199 VanDerWaalsContact O-N 3.1Å; E197-D200 PolarHBondContact O-N 2.81Å
198	Q	46.6	Very low	51.1	Low	136 Å²	136	90.7 Å²	90.7	64%	0.636	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-9.5	174.8	-76.8	-173.4	-19.8	0	0	114.7	Q194 T196	Q194-Q198 WeakPolarHBondContact O-CB 3.12Å; Q194-Q198 WeakPolarHBondContact O-CG 3.11Å; Q194-Q198 PolarHBondContact O-N 3.14Å; Q194-Q198 VanDerWaalsContact O-N 3.08Å; T196-Q198 VanDerWaalsContact C-N 3.31Å; T196-Q198 PolarHBondContact O-N 3.48Å
199	S	47.8	Very low	51	Low	51 Å²	51	93.6 Å²	93.6	36%	0.357	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-15.9	178	70	0	0	0	0	114.9	T196 E197	T196-S199 WeakPolarHBondContact O-CB 3.46Å; T196-S199 PolarHBondContact O-N 2.81Å; T196-S199 PolarHBondContact O-OG 2.92Å; E197-S199 PolarHBondContact O-N 2.89Å; E197-S199 VanDerWaalsContact O-N 3.1Å
200	D	42.6	Very low	50.9	Low	140 Å²	140	94.5 Å²	94.5	75%	0.749	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-29.7	-177.2	-77	-34.2	0	0	0	113.9	E197	E197-D200 PolarHBondContact O-N 2.81Å
201	D	39.2	Very low	51.2	Low	152 Å²	152	88.4 Å²	88.4	81%	0.813	49%	0.485	S	S	*	.	S	Bend	trans	-102.8	7.2	-166.1	-101.7	-13.3	0	0	0	116.6
202	N	35.9	Very low	51.6	Low	118 Å²	118	87 Å²	87	63%	0.631	48%	0.48	S	S	*	.			trans	-129.2	114.1	179.3	-103	-25.4	0	0	0	113.5	S204	N202-S204 PolarHBondContact O-N 2.64Å
203	Q	39.6	Very low	52	Low	213 Å²	213	89.9 Å²	89.9	100%	0.995	49%	0.494	S	S	*	.			trans	-74	38.8	167.5	-69.3	-175.1	-16.6	0	0	112.8
204	S	38.7	Very low	52.6	Low	74 Å²	74	88.9 Å²	88.9	52%	0.517	49%	0.486	S	S	.	.	S	Bend	trans	-129.2	103.8	176.9	61.8	0	0	0	0	110	N202	N202-S204 PolarHBondContact O-N 2.64Å
205	N	41.2	Very low	53.7	Low	114 Å²	114	83.9 Å²	83.9	61%	0.61	46%	0.463	S	S	*	.			trans	-2.8	95.9	178	-133.4	19.3	0	0	0	116.8	D207 L208	N205-D207 PolarHBondContact O-N 2.99Å; N205-D207 VanDerWaalsContact O-N 3.13Å; N205-L208 PolarHBondContact O-N 3.35Å
206	P	47	Very low	54.7	Low	95 Å²	95	82.6 Å²	82.6	62%	0.617	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-17.8	-174.1	23.2	-33	0	0	0	115.1	L208	P206-L208 VanDerWaalsContact C-N 3.33Å; P206-L208 PolarHBondContact O-N 3.24Å
207	D	50.9	Low	55.7	Low	105 Å²	105	83.3 Å²	83.3	56%	0.561	45%	0.45	S	S	*	.	H	α-helix	trans	-64.7	-32.5	174.2	-90	-31.7	0	0	0	113.3	N205 C209 G210 V211	N205-D207 PolarHBondContact O-N 2.99Å; N205-D207 VanDerWaalsContact O-N 3.13Å; D207-C209 PolarHBondContact O-N 3.03Å; D207-G210 PolarHBondContact O-N 3.28Å; D207-V211 WeakPolarHBondContact O-CG2 3.34Å; D207-V211 PolarHBondContact O-N 3.3Å; D207-V211 VanDerWaalsContact O-N 3.12Å
208	L	52.4	Low	57.4	Low	72 Å²	72	78 Å²	78	38%	0.377	43%	0.425	S	S	.	.	H	α-helix	trans	-61.8	-41.7	-174.9	-116.1	83.1	0	0	0	112.5	N205 P206 G210 V211 E212 P279	N205-L208 PolarHBondContact O-N 3.35Å; P206-L208 VanDerWaalsContact C-N 3.33Å; P206-L208 PolarHBondContact O-N 3.24Å; L208-G210 VanDerWaalsContact C-N 3.35Å; L208-G210 PolarHBondContact O-N 3.44Å; L208-V211 PolarHBondContact O-N 3.01Å; L208-E212 WeakPolarHBondContact O-CB 3.41Å; L208-E212 PolarHBondContact O-N 3.3Å; L208-P279 HydrophobicContact CD2-CG 4.25Å
209	C	56.9	Low	59.1	Low	65 Å²	65	72.3 Å²	72.3	44%	0.439	40%	0.398	S	S	.	.	H	α-helix	trans	-67.6	-35.1	-179.2	-174.6	0	0	0	0	112.1	D207 L213	D207-C209 PolarHBondContact O-N 3.03Å; C209-L213 WeakPolarHBondContact O-CG 3.43Å; C209-L213 PolarHBondContact O-N 2.61Å; C209-L213 VanDerWaalsContact O-N 3.14Å
210	G	64.3	Low	60.6	Low	32 Å²	32	74.1 Å²	74.1	33%	0.33	40%	0.401	S	S	.	.	H	α-helix	trans	-68.2	-43.1	176.2	0	0	0	0	0	112.7	D207 L208 R214	D207-G210 PolarHBondContact O-N 3.28Å; L208-G210 VanDerWaalsContact C-N 3.35Å; L208-G210 PolarHBondContact O-N 3.44Å; G210-R214 PolarHBondContact O-N 3.07Å; G210-R214 VanDerWaalsContact O-N 3.13Å
211	V	67.9	Low	62.5	Low	25 Å²	25	68.6 Å²	68.6	15%	0.152	37%	0.37	C	S	.	.	H	α-helix	trans	-65	-43.2	175.3	176.5	0	0	0	0	110.8	D207 L208 L213 R214 V215 E277 L278	D207-V211 WeakPolarHBondContact O-CG2 3.34Å; D207-V211 PolarHBondContact O-N 3.3Å; D207-V211 VanDerWaalsContact O-N 3.12Å; L208-V211 PolarHBondContact O-N 3.01Å; V211-L213 PolarHBondContact O-N 2.94Å; V211-R214 PolarHBondContact O-N 3Å; V211-R214 VanDerWaalsContact O-N 3.15Å; V211-V215 HydrophobicContact CG1-CG2 4.42Å; V211-V215 WeakPolarHBondContact O-CG2 3.49Å; V211-V215 PolarHBondContact O-N 2.94Å; V211-E277 HydrophobicContact CG1-CB 3.92Å; V211-L278 HydrophobicContact CB-CD2 4.32Å; V211-L278 HydrophobicContact CG1-CD2 3.77Å; V211-L278 HydrophobicContact CG1-CG 3.97Å
212	E	70.4	Confident	64.8	Low	54 Å²	54	61.6 Å²	61.6	25%	0.252	33%	0.332	S	S	.	.	H	α-helix	trans	-60	-46.7	179	-171.8	178.7	-163.3	0	0	112.5	L208 R214 V215 E216 H282 K284	L208-E212 WeakPolarHBondContact O-CB 3.41Å; L208-E212 PolarHBondContact O-N 3.3Å; E212-R214 VanDerWaalsContact C-N 3.32Å; E212-R214 PolarHBondContact O-N 2.83Å; E212-V215 PolarHBondContact O-N 3.24Å; E212-E216 PolarHBondContact O-N 3.29Å; E212-H282 IonicContact OE1-CE1 3.2Å; E212-H282 IonicContact OE1-NE2 3.47Å; E212-K284 HydrophobicContact CG-CD 4.41Å; E212-K284 WeakPolarHBondContact OE1-CD 3.29Å; E212-K284 VanDerWaalsContact OE1-CE 3.22Å; E212-K284 WeakPolarHBondContact OE1-CE 3.31Å; E212-K284 IonicContact OE1-NZ 2.68Å; E212-K284 PolarHBondContact OE1-NZ 2.93Å
213	L	69.2	Low	66.9	Low	69 Å²	69	60.4 Å²	60.4	36%	0.361	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-38.8	174.6	-73.6	171.5	0	0	0	112.1	C209 V211 E216 E217 T315	C209-L213 WeakPolarHBondContact O-CG 3.43Å; C209-L213 PolarHBondContact O-N 2.61Å; C209-L213 VanDerWaalsContact O-N 3.14Å; V211-L213 PolarHBondContact O-N 2.94Å; L213-E216 PolarHBondContact O-N 3.06Å; L213-E217 WeakPolarHBondContact O-CG 3.44Å; L213-E217 PolarHBondContact O-N 2.91Å; L213-T315 VanDerWaalsContact CD2-OG1 3.31Å; L213-T315 WeakPolarHBondContact CD2-OG1 3.48Å
214	R	76.4	Confident	68.8	Low	57 Å²	57	52.9 Å²	52.9	22%	0.215	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-39.7	177.8	-165	67.8	-175	157.1	-0.7	111.8	G210 V211 E212 E217 L218 E465	G210-R214 PolarHBondContact O-N 3.07Å; G210-R214 VanDerWaalsContact O-N 3.13Å; V211-R214 PolarHBondContact O-N 3Å; V211-R214 VanDerWaalsContact O-N 3.15Å; E212-R214 VanDerWaalsContact C-N 3.32Å; E212-R214 PolarHBondContact O-N 2.83Å; R214-E217 IonicContact CZ-OE2 2.61Å; R214-E217 IonicContact NH1-OE2 2.64Å; R214-E217 PolarHBondContact NH1-OE2 3.49Å; R214-E217 PolarHBondContact O-N 3.41Å; R214-L218 HydrophobicContact CG-CD1 4.15Å; R214-L218 WeakPolarHBondContact O-CB 3.3Å; R214-L218 WeakPolarHBondContact O-CD1 3.33Å; R214-L218 VanDerWaalsContact O-CG 3.27Å; R214-L218 WeakPolarHBondContact O-CG 3.35Å; R214-L218 PolarHBondContact O-N 3.09Å; R214-E465 IonicContact CZ-OE1 3.27Å; R214-E465 IonicContact NE-OE1 3.92Å; R214-E465 PolarHBondContact NE-OE1 3.37Å; R214-E465 IonicContact NH2-OE1 3.35Å; R214-E465 PolarHBondContact NH2-OE1 3.21Å
215	V	80.1	Confident	70.9	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.024	27%	0.265	C	S	.	.	H	α-helix	trans	-63.6	-40.3	173.5	171	0	0	0	0	111.1	V211 E212 W219 R274 L275 L278 I288	V211-V215 HydrophobicContact CG1-CG2 4.42Å; V211-V215 WeakPolarHBondContact O-CG2 3.49Å; V211-V215 PolarHBondContact O-N 2.94Å; E212-V215 PolarHBondContact O-N 3.24Å; V215-W219 WeakPolarHBondContact O-CB 3.48Å; V215-W219 PolarHBondContact O-N 3.14Å; V215-R274 HydrophobicContact CG2-CB 3.7Å; V215-L275 HydrophobicContact CG1-CD2 3.99Å; V215-L278 HydrophobicContact CG2-CD1 4.11Å; V215-I288 HydrophobicContact CG1-CD1 3.58Å
216	E	75.3	Confident	72.9	Confident	22 Å²	22	47.2 Å²	47.2	10%	0.103	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-43.3	173.8	-75.5	-172.1	-173.5	0	0	112.6	E212 L213 W219 H220 K284 T315 L316	E212-E216 PolarHBondContact O-N 3.29Å; L213-E216 PolarHBondContact O-N 3.06Å; E216-W219 PolarHBondContact O-N 3.33Å; E216-H220 PolarHBondContact O-N 2.88Å; E216-K284 IonicContact OE1-NZ 3.44Å; E216-K284 PolarHBondContact OE1-NZ 2.89Å; E216-T315 PolarHBondContact OE2-N 3.49Å; E216-T315 VanDerWaalsContact OE2-N 3.13Å; E216-T315 PolarHBondContact OE2-OG1 2.97Å; E216-L316 HydrophobicContact CB-CD1 4.01Å; E216-L316 HydrophobicContact CB-CG 4.27Å
217	E	78.6	Confident	74.2	Confident	36 Å²	36	45.7 Å²	45.7	17%	0.168	24%	0.244	C	C	.	.	H	α-helix	trans	-63.9	-48.8	178.2	-70.8	-178.3	155.2	0	0	112.2	L213 R214 W219 H220 H221 L316 K448	L213-E217 WeakPolarHBondContact O-CG 3.44Å; L213-E217 PolarHBondContact O-N 2.91Å; R214-E217 IonicContact CZ-OE2 2.61Å; R214-E217 IonicContact NH1-OE2 2.64Å; R214-E217 PolarHBondContact NH1-OE2 3.49Å; R214-E217 PolarHBondContact O-N 3.41Å; E217-W219 VanDerWaalsContact C-N 3.29Å; E217-W219 PolarHBondContact O-N 3.4Å; E217-H220 WeakPolarHBondContact O-CB 3.26Å; E217-H220 PolarHBondContact O-N 3.48Å; E217-H221 PolarHBondContact O-N 2.8Å; E217-H221 VanDerWaalsContact O-N 3.11Å; E217-H221 PolarHBondContact O-ND1 3.37Å; E217-L316 HydrophobicContact CG-CD1 4.17Å; E217-L316 HydrophobicContact CG-CD2 3.73Å; E217-K448 IonicContact OE1-NZ 3.54Å; E217-K448 PolarHBondContact OE1-NZ 2.96Å
218	L	84.3	Confident	75.4	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-39.8	177.2	-69.2	166.2	0	0	0	111.2	R214 H220 H221 Y222 L267 S270 L271 R274 E465	R214-L218 HydrophobicContact CG-CD1 4.15Å; R214-L218 WeakPolarHBondContact O-CB 3.3Å; R214-L218 WeakPolarHBondContact O-CD1 3.33Å; R214-L218 VanDerWaalsContact O-CG 3.27Å; R214-L218 WeakPolarHBondContact O-CG 3.35Å; R214-L218 PolarHBondContact O-N 3.09Å; L218-H220 VanDerWaalsContact C-N 3.34Å; L218-H221 PolarHBondContact O-N 2.84Å; L218-Y222 WeakPolarHBondContact O-CB 3.48Å; L218-Y222 PolarHBondContact O-N 2.86Å; L218-L267 HydrophobicContact CD2-CD2 4.16Å; L218-S270 WeakPolarHBondContact CD1-OG 3.41Å; L218-S270 WeakPolarHBondContact CD2-OG 3.46Å; L218-L271 HydrophobicContact CB-CD2 3.58Å; L218-L271 HydrophobicContact CB-CG 3.88Å; L218-R274 HydrophobicContact CD1-CB 4.45Å; L218-R274 HydrophobicContact CD1-CG 3.94Å; L218-E465 HydrophobicContact CD2-CG 3.89Å
219	W	83.2	Confident	76.9	Confident	18 Å²	18	41.1 Å²	41.1	7%	0.068	22%	0.219	C	C	.	.	H	α-helix	trans	-69.8	-31.2	178	-167.5	-129.3	0	0	0	112.7	V215 E216 E217 Y222 R223 L271 I288 E291 L292	V215-W219 WeakPolarHBondContact O-CB 3.48Å; V215-W219 PolarHBondContact O-N 3.14Å; E216-W219 PolarHBondContact O-N 3.33Å; E217-W219 VanDerWaalsContact C-N 3.29Å; E217-W219 PolarHBondContact O-N 3.4Å; W219-Y222 AromaticContact CE3-CD1 3.86Å; W219-Y222 HydrophobicContact CE3-CD1 3.86Å; W219-Y222 HydrophobicContact CE3-CG 4.27Å; W219-Y222 AromaticContact CH2-CD1 3.73Å; W219-Y222 HydrophobicContact CH2-CD1 3.73Å; W219-Y222 AromaticContact CH2-CE1 3.84Å; W219-Y222 HydrophobicContact CH2-CE1 3.84Å; W219-Y222 AromaticContact CZ3-CD1 3.25Å; W219-Y222 HydrophobicContact CZ3-CD1 3.25Å; W219-Y222 AromaticContact CZ3-CE1 3.65Å; W219-Y222 HydrophobicContact CZ3-CE1 3.65Å; W219-Y222 AromaticContact CZ3-CG 3.97Å; W219-Y222 HydrophobicContact CZ3-CG 3.97Å; W219-R223 HydrophobicContact CZ2-CG 4.25Å; W219-R223 WeakPolarHBondContact O-CG 3.45Å; W219-R223 PolarHBondContact O-N 3.32Å; W219-R223 PolarHBondContact O-NE 2.98Å; W219-L271 HydrophobicContact CB-CD2 4.26Å; W219-L271 HydrophobicContact CE3-CD1 3.62Å; W219-L271 HydrophobicContact CE3-CD2 4.19Å; W219-L271 HydrophobicContact CZ3-CD1 3.99Å; W219-I288 HydrophobicContact CB-CD1 4.32Å; W219-I288 HydrophobicContact CD2-CD1 4.42Å; W219-I288 HydrophobicContact CD2-CG1 4.04Å; W219-I288 HydrophobicContact CD2-CG2 3.93Å; W219-I288 HydrophobicContact CE3-CG2 3.59Å; W219-I288 HydrophobicContact CG-CD1 4.07Å; W219-I288 HydrophobicContact CG-CG1 4.1Å; W219-I288 HydrophobicContact CH2-CG2 4.23Å; W219-I288 HydrophobicContact CZ3-CG2 3.75Å; W219-E291 HydrophobicContact CH2-CB 3.82Å; W219-E291 HydrophobicContact CZ2-CB 3.66Å; W219-E291 HydrophobicContact CZ2-CG 4.32Å; W219-E291 WeakPolarHBondContact CZ2-OE2 3.37Å; W219-E291 PolarHBondContact NE1-OE2 3.36Å; W219-L292 HydrophobicContact CH2-CD2 4.33Å; W219-L292 HydrophobicContact CH2-CG 4.23Å; W219-L292 HydrophobicContact CZ3-CD2 3.81Å; W219-L292 HydrophobicContact CZ3-CG 3.89Å
220	H	79.3	Confident	78	Confident	89 Å²	89	40 Å²	40	41%	0.412	21%	0.208	S	C	.	.	H	α-helix	trans	-63.5	-54.3	170.5	-178.3	53.6	0	0	0	111.4	E216 E217 L218 Y222 R223 V224 L316	E216-H220 PolarHBondContact O-N 2.88Å; E217-H220 WeakPolarHBondContact O-CB 3.26Å; E217-H220 PolarHBondContact O-N 3.48Å; L218-H220 VanDerWaalsContact C-N 3.34Å; H220-Y222 PolarHBondContact O-N 3.25Å; H220-R223 PolarHBondContact O-N 3.22Å; H220-V224 WeakPolarHBondContact O-CG2 3.46Å; H220-V224 PolarHBondContact O-N 3.42Å; H220-V224 VanDerWaalsContact O-N 3.14Å; H220-L316 HydrophobicContact CB-CD1 4.33Å
221	H	82.3	Confident	78.5	Confident	24 Å²	24	40.4 Å²	40.4	11%	0.111	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-38.9	-178.8	-61.1	147	0	0	0	112.9	E217 L218 R223 V224 E225 L267 Y446	E217-H221 PolarHBondContact O-N 2.8Å; E217-H221 VanDerWaalsContact O-N 3.11Å; E217-H221 PolarHBondContact O-ND1 3.37Å; L218-H221 PolarHBondContact O-N 2.84Å; H221-R223 VanDerWaalsContact C-N 3.33Å; H221-R223 PolarHBondContact O-N 3.41Å; H221-V224 PolarHBondContact O-N 3.47Å; H221-E225 PolarHBondContact O-N 2.84Å; H221-L267 HydrophobicContact CB-CD1 4.14Å; H221-L267 HydrophobicContact CB-CD2 4.24Å; H221-Y446 HydrophobicContact CB-CE2 4.13Å; H221-Y446 AromaticContact CE1-CD2 3.55Å; H221-Y446 AromaticContact CE1-CG 3.66Å; H221-Y446 AromaticContact CG-CE2 3.86Å; H221-Y446 AromaticContact ND1-CD2 3.3Å; H221-Y446 VanDerWaalsContact ND1-CD2 3.3Å; H221-Y446 WeakPolarHBondContact ND1-CD2 3.28Å; H221-Y446 AromaticContact ND1-CE2 3.58Å; H221-Y446 AromaticContact ND1-CG 3.89Å
222	Y	86.5	Confident	79	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-44.1	175.4	179.5	-92	0	0	0	112.1	L218 W219 H220 H226 L264 L267 R268 L271 L292	L218-Y222 WeakPolarHBondContact O-CB 3.48Å; L218-Y222 PolarHBondContact O-N 2.86Å; W219-Y222 AromaticContact CE3-CD1 3.86Å; W219-Y222 HydrophobicContact CE3-CD1 3.86Å; W219-Y222 HydrophobicContact CE3-CG 4.27Å; W219-Y222 AromaticContact CH2-CD1 3.73Å; W219-Y222 HydrophobicContact CH2-CD1 3.73Å; W219-Y222 AromaticContact CH2-CE1 3.84Å; W219-Y222 HydrophobicContact CH2-CE1 3.84Å; W219-Y222 AromaticContact CZ3-CD1 3.25Å; W219-Y222 HydrophobicContact CZ3-CD1 3.25Å; W219-Y222 AromaticContact CZ3-CE1 3.65Å; W219-Y222 HydrophobicContact CZ3-CE1 3.65Å; W219-Y222 AromaticContact CZ3-CG 3.97Å; W219-Y222 HydrophobicContact CZ3-CG 3.97Å; H220-Y222 PolarHBondContact O-N 3.25Å; Y222-H226 WeakPolarHBondContact O-CB 3.31Å; Y222-H226 PolarHBondContact O-N 2.93Å; Y222-L264 HydrophobicContact CD2-CD2 3.56Å; Y222-L264 HydrophobicContact CE2-CD2 3.48Å; Y222-L264 VanDerWaalsContact CE2-CD2 3.48Å; Y222-L264 HydrophobicContact CG-CD2 4.18Å; Y222-L264 WeakPolarHBondContact O-CD2 3.44Å; Y222-L267 HydrophobicContact CD2-CB 4.17Å; Y222-R268 HydrophobicContact CE2-CB 4.1Å; Y222-R268 PolarHBondContact OH-NH2 3.43Å; Y222-L271 HydrophobicContact CD2-CD1 4.04Å; Y222-L271 HydrophobicContact CG-CD1 3.82Å; Y222-L292 HydrophobicContact CD1-CD2 4.45Å; Y222-L292 HydrophobicContact CE1-CD2 3.83Å; Y222-L292 HydrophobicContact CE2-CD2 3.98Å
223	R	81.4	Confident	79.6	Confident	93 Å²	93	40.7 Å²	40.7	35%	0.351	21%	0.212	S	C	.	.	H	α-helix	trans	-66.8	-38.2	177.6	-73.9	176.6	-67.2	-174.4	1.2	112.8	W219 H220 H221 H226 A227	W219-R223 HydrophobicContact CZ2-CG 4.25Å; W219-R223 WeakPolarHBondContact O-CG 3.45Å; W219-R223 PolarHBondContact O-N 3.32Å; W219-R223 PolarHBondContact O-NE 2.98Å; H220-R223 PolarHBondContact O-N 3.22Å; H221-R223 VanDerWaalsContact C-N 3.33Å; H221-R223 PolarHBondContact O-N 3.41Å; R223-H226 PolarHBondContact O-N 2.69Å; R223-A227 WeakPolarHBondContact O-CB 3.28Å; R223-A227 PolarHBondContact O-N 3.28Å
224	V	77.9	Confident	80.2	Confident	56 Å²	56	40.7 Å²	40.7	34%	0.339	21%	0.212	S	C	.	.	H	α-helix	trans	-62.8	-51.5	176	172.6	0	0	0	0	110.7	H220 H221 H226 A227 M228	H220-V224 WeakPolarHBondContact O-CG2 3.46Å; H220-V224 PolarHBondContact O-N 3.42Å; H220-V224 VanDerWaalsContact O-N 3.14Å; H221-V224 PolarHBondContact O-N 3.47Å; V224-H226 VanDerWaalsContact C-N 3.3Å; V224-H226 PolarHBondContact O-N 2.87Å; V224-A227 PolarHBondContact O-N 3.04Å; V224-M228 HydrophobicContact CG1-CE 3.86Å; V224-M228 WeakPolarHBondContact O-CG 3.45Å; V224-M228 PolarHBondContact O-N 3.45Å
225	E	84.3	Confident	80.2	Confident	10 Å²	10	42.6 Å²	42.6	5%	0.047	23%	0.225	C	C	.	.	H	α-helix	trans	-65.3	-32.7	177.7	-69.9	-66	161.7	0	0	112.4	H221 M228 A229 S260 R263 L264 L267	H221-E225 PolarHBondContact O-N 2.84Å; E225-M228 PolarHBondContact O-N 2.91Å; E225-A229 WeakPolarHBondContact O-CB 3.25Å; E225-A229 PolarHBondContact O-N 3.36Å; E225-S260 WeakPolarHBondContact OE2-CA 3.36Å; E225-S260 WeakPolarHBondContact OE2-CB 3.04Å; E225-S260 PolarHBondContact OE2-OG 3.16Å; E225-R263 HydrophobicContact CG-CB 4.12Å; E225-R263 WeakPolarHBondContact OE1-CD 3.36Å; E225-R263 IonicContact OE1-CZ 3.11Å; E225-R263 IonicContact OE1-NE 3.01Å; E225-R263 IonicContact OE1-NH1 3.14Å; E225-R263 IonicContact OE2-NH1 2.63Å; E225-L264 HydrophobicContact CB-CD2 3.97Å; E225-L264 HydrophobicContact CB-CG 4.04Å; E225-L267 HydrophobicContact CB-CD1 4.44Å; E225-L267 HydrophobicContact CG-CD1 4.03Å
226	H	81.6	Confident	80.3	Confident	58 Å²	58	44.2 Å²	44.2	27%	0.269	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-43.2	175.3	-173.1	-86.9	0	0	0	111.5	Y222 R223 V224 A229 E230 L264	Y222-H226 WeakPolarHBondContact O-CB 3.31Å; Y222-H226 PolarHBondContact O-N 2.93Å; R223-H226 PolarHBondContact O-N 2.69Å; V224-H226 VanDerWaalsContact C-N 3.3Å; V224-H226 PolarHBondContact O-N 2.87Å; H226-A229 PolarHBondContact O-N 2.7Å; H226-E230 PolarHBondContact O-N 2.87Å; H226-L264 HydrophobicContact CB-CD2 4Å
227	A	75.6	Confident	80.7	Confident	63 Å²	63	49.9 Å²	49.9	52%	0.521	25%	0.253	S	S	.	.	H	α-helix	trans	-63.7	-40.2	174	0	0	0	0	0	111.9	R223 V224 G231	R223-A227 WeakPolarHBondContact O-CB 3.28Å; R223-A227 PolarHBondContact O-N 3.28Å; V224-A227 PolarHBondContact O-N 3.04Å; A227-G231 PolarHBondContact O-N 3.37Å
228	M	76.6	Confident	80.7	Confident	81 Å²	81	54.5 Å²	54.5	40%	0.399	28%	0.278	S	S	.	.	H	α-helix	trans	-62.6	-44	173.9	-69	-169.9	-173.8	0	0	112.1	V224 E225 G231 A232	V224-M228 HydrophobicContact CG1-CE 3.86Å; V224-M228 WeakPolarHBondContact O-CG 3.45Å; V224-M228 PolarHBondContact O-N 3.45Å; E225-M228 PolarHBondContact O-N 2.91Å; M228-G231 PolarHBondContact O-N 2.88Å; M228-A232 WeakPolarHBondContact O-CB 3.05Å; M228-A232 PolarHBondContact O-N 2.84Å
229	A	82.1	Confident	80.5	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-63.4	-44.7	177.6	0	0	0	0	0	112.5	E225 H226 A232 K233 L257 L264	E225-A229 WeakPolarHBondContact O-CB 3.25Å; E225-A229 PolarHBondContact O-N 3.36Å; H226-A229 PolarHBondContact O-N 2.7Å; A229-A232 PolarHBondContact O-N 2.86Å; A229-K233 WeakPolarHBondContact O-CG 3.39Å; A229-K233 PolarHBondContact O-N 3.3Å; A229-L257 HydrophobicContact CB-CD1 4.19Å; A229-L264 HydrophobicContact CB-CD1 3.8Å
230	E	80.4	Confident	80	Confident	42 Å²	42	57.8 Å²	57.8	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-66.4	-39.2	174.5	-75.9	-56.3	126.4	0	0	112.3	H226 A232 K233 N234	H226-E230 PolarHBondContact O-N 2.87Å; E230-A232 VanDerWaalsContact C-N 3.34Å; E230-A232 PolarHBondContact O-N 3.09Å; E230-K233 PolarHBondContact O-N 3.11Å; E230-K233 VanDerWaalsContact OE1-CD 3.27Å; E230-K233 WeakPolarHBondContact OE1-CD 3.48Å; E230-K233 WeakPolarHBondContact OE1-CE 3.31Å; E230-K233 IonicContact OE1-NZ 3.51Å; E230-K233 PolarHBondContact OE1-NZ 3.19Å; E230-N234 WeakPolarHBondContact O-CB 3.3Å; E230-N234 PolarHBondContact O-N 2.73Å; E230-N234 PolarHBondContact O-ND2 2.83Å
231	G	75.7	Confident	79.6	Confident	39 Å²	39	57.8 Å²	57.8	40%	0.402	32%	0.323	S	S	.	.	H	α-helix	trans	-56.8	-46.4	172.5	0	0	0	0	0	112.2	A227 M228 N234 M235	A227-G231 PolarHBondContact O-N 3.37Å; M228-G231 PolarHBondContact O-N 2.88Å; G231-N234 PolarHBondContact O-N 3.2Å; G231-M235 WeakPolarHBondContact O-CB 3.46Å; G231-M235 PolarHBondContact O-N 2.74Å
232	A	78.3	Confident	78.8	Confident	12 Å²	12	58.3 Å²	58.3	10%	0.099	34%	0.335	C	S	.	.	H	α-helix	trans	-65	-42.2	176	0	0	0	0	0	112.6	M228 A229 E230 N234 M235 L236 L257	M228-A232 WeakPolarHBondContact O-CB 3.05Å; M228-A232 PolarHBondContact O-N 2.84Å; A229-A232 PolarHBondContact O-N 2.86Å; E230-A232 VanDerWaalsContact C-N 3.34Å; E230-A232 PolarHBondContact O-N 3.09Å; A232-N234 VanDerWaalsContact C-N 3.34Å; A232-N234 PolarHBondContact O-N 3.16Å; A232-M235 PolarHBondContact O-N 2.64Å; A232-L236 VanDerWaalsContact O-CG 3.31Å; A232-L236 WeakPolarHBondContact O-CG 3.47Å; A232-L236 PolarHBondContact O-N 3.38Å; A232-L257 HydrophobicContact CB-CB 3.82Å
233	K	83.4	Confident	77.6	Confident	73 Å²	73	68.5 Å²	68.5	32%	0.317	38%	0.379	S	S	.	.	H	α-helix	trans	-59.4	-43.4	173.2	-70.6	170.1	-159.2	170	0	111.8	A229 E230 L236 R237 L257	A229-K233 WeakPolarHBondContact O-CG 3.39Å; A229-K233 PolarHBondContact O-N 3.3Å; E230-K233 PolarHBondContact O-N 3.11Å; E230-K233 VanDerWaalsContact OE1-CD 3.27Å; E230-K233 WeakPolarHBondContact OE1-CD 3.48Å; E230-K233 WeakPolarHBondContact OE1-CE 3.31Å; E230-K233 IonicContact OE1-NZ 3.51Å; E230-K233 PolarHBondContact OE1-NZ 3.19Å; K233-L236 PolarHBondContact O-N 2.84Å; K233-R237 WeakPolarHBondContact O-CG 3.22Å; K233-R237 PolarHBondContact O-N 2.85Å; K233-L257 HydrophobicContact CD-CD1 4.34Å; K233-L257 HydrophobicContact CG-CD1 3.7Å; K233-L257 HydrophobicContact CG-CD2 3.82Å; K233-L257 HydrophobicContact CG-CG 4.44Å
234	N	80.8	Confident	76.4	Confident	69 Å²	69	70.5 Å²	70.5	37%	0.369	40%	0.402	S	S	.	.	H	α-helix	trans	-68.3	-39.8	179.1	-72.1	-31.8	0	0	0	111.9	E230 G231 A232 L236 R237 L238	E230-N234 WeakPolarHBondContact O-CB 3.3Å; E230-N234 PolarHBondContact O-N 2.73Å; E230-N234 PolarHBondContact O-ND2 2.83Å; G231-N234 PolarHBondContact O-N 3.2Å; A232-N234 VanDerWaalsContact C-N 3.34Å; A232-N234 PolarHBondContact O-N 3.16Å; N234-L236 VanDerWaalsContact C-N 3.34Å; N234-L236 PolarHBondContact O-N 3.27Å; N234-R237 PolarHBondContact O-N 3.39Å; N234-R237 PolarHBondContact OD1-NH1 2.68Å; N234-L238 WeakPolarHBondContact O-CG 3.35Å; N234-L238 PolarHBondContact O-N 3.48Å
235	M	77.4	Confident	76.1	Confident	98 Å²	98	73.3 Å²	73.3	48%	0.483	41%	0.411	S	S	.	.	H	α-helix	trans	-59.9	-42.8	171.5	-172.4	177.2	-68.6	0	0	111.7	G231 A232 L238 L239 A253	G231-M235 WeakPolarHBondContact O-CB 3.46Å; G231-M235 PolarHBondContact O-N 2.74Å; A232-M235 PolarHBondContact O-N 2.64Å; M235-L238 PolarHBondContact O-N 2.91Å; M235-L239 HydrophobicContact CG-CD1 3.73Å; M235-L239 HydrophobicContact CG-CG 4.19Å; M235-L239 WeakPolarHBondContact O-CB 3.33Å; M235-L239 VanDerWaalsContact O-CG 3.29Å; M235-L239 WeakPolarHBondContact O-CG 3.23Å; M235-L239 PolarHBondContact O-N 2.98Å; M235-L239 HydrophobicContact SD-CD1 4.37Å; M235-A253 HydrophobicContact CB-CB 4.36Å; M235-A253 HydrophobicContact CG-CB 4.11Å; M235-A253 HydrophobicContact SD-CB 3.84Å
236	L	81.8	Confident	75.8	Confident	37 Å²	37	77 Å²	77	19%	0.194	43%	0.431	C	S	.	.	H	α-helix	trans	-64.7	-38.3	176	-70.2	171.1	0	0	0	113.1	A232 K233 N234 G240 I250 A253 Q254 L257	A232-L236 VanDerWaalsContact O-CG 3.31Å; A232-L236 WeakPolarHBondContact O-CG 3.47Å; A232-L236 PolarHBondContact O-N 3.38Å; K233-L236 PolarHBondContact O-N 2.84Å; N234-L236 VanDerWaalsContact C-N 3.34Å; N234-L236 PolarHBondContact O-N 3.27Å; L236-G240 PolarHBondContact O-N 2.84Å; L236-I250 HydrophobicContact CD2-CG2 4.14Å; L236-A253 HydrophobicContact CD2-CB 3.66Å; L236-A253 HydrophobicContact CG-CB 3.84Å; L236-Q254 HydrophobicContact CD1-CG 4.07Å; L236-Q254 HydrophobicContact CD2-CG 3.72Å; L236-L257 HydrophobicContact CD1-CB 4.46Å; L236-L257 HydrophobicContact CD1-CD2 3.74Å
237	R	82.7	Confident	75.7	Confident	141 Å²	141	82.2 Å²	82.2	53%	0.532	45%	0.453	S	S	.	.	H	α-helix	trans	-61.5	-45.8	172.5	-71.2	168.2	177.9	154.2	-3.9	111.3	K233 N234 A241	K233-R237 WeakPolarHBondContact O-CG 3.22Å; K233-R237 PolarHBondContact O-N 2.85Å; N234-R237 PolarHBondContact O-N 3.39Å; N234-R237 PolarHBondContact OD1-NH1 2.68Å; R237-A241 PolarHBondContact O-N 2.63Å
238	L	80.1	Confident	75.8	Confident	133 Å²	133	85.1 Å²	85.1	70%	0.696	45%	0.454	S	S	*	.	H	α-helix	trans	-66.9	-48.8	-179.8	-71.5	166.9	0	0	0	112.3	N234 M235 G240 A241 G242	N234-L238 WeakPolarHBondContact O-CG 3.35Å; N234-L238 PolarHBondContact O-N 3.48Å; M235-L238 PolarHBondContact O-N 2.91Å; L238-G240 VanDerWaalsContact C-N 3.28Å; L238-G240 PolarHBondContact O-N 3.15Å; L238-A241 PolarHBondContact O-N 3.13Å; L238-G242 PolarHBondContact O-N 2.84Å
239	L	79.1	Confident	75.7	Confident	45 Å²	45	82.2 Å²	82.2	24%	0.236	44%	0.443	C	S	.	.	H	α-helix	trans	-66.3	-30.1	178	-66.9	174.1	0	0	0	112.4	M235 A241 A249 I250	M235-L239 HydrophobicContact CG-CD1 3.73Å; M235-L239 HydrophobicContact CG-CG 4.19Å; M235-L239 WeakPolarHBondContact O-CB 3.33Å; M235-L239 VanDerWaalsContact O-CG 3.29Å; M235-L239 WeakPolarHBondContact O-CG 3.23Å; M235-L239 PolarHBondContact O-N 2.98Å; M235-L239 HydrophobicContact SD-CD1 4.37Å; L239-A241 VanDerWaalsContact C-N 3.35Å; L239-A249 HydrophobicContact CD1-CB 3.74Å; L239-A249 HydrophobicContact CD2-CB 4.37Å; L239-I250 HydrophobicContact CB-CD1 4.33Å; L239-I250 HydrophobicContact CB-CG1 3.73Å; L239-I250 HydrophobicContact CD1-CG1 3.99Å; L239-I250 HydrophobicContact CG-CG1 4.47Å
240	G	71.9	Confident	75.6	Confident	46 Å²	46	83.6 Å²	83.6	47%	0.474	45%	0.45	S	S	.	.	H	α-helix	trans	-70.4	-26	173.8	0	0	0	0	0	114.4	L236 L238	L236-G240 PolarHBondContact O-N 2.84Å; L238-G240 VanDerWaalsContact C-N 3.28Å; L238-G240 PolarHBondContact O-N 3.15Å
241	A	71	Confident	75.4	Confident	88 Å²	88	83.1 Å²	83.1	73%	0.727	45%	0.453	S	S	*	.	H	α-helix	trans	-87.6	-12.2	-179.5	0	0	0	0	0	114.2	R237 L238 L239	R237-A241 PolarHBondContact O-N 2.63Å; L238-A241 PolarHBondContact O-N 3.13Å; L239-A241 VanDerWaalsContact C-N 3.35Å
242	G	66.6	Low	75.5	Confident	35 Å²	35	86.1 Å²	86.1	36%	0.361	46%	0.457	S	S	.	.	S	Bend	trans	-77.4	144.5	-178.7	0	0	0	0	0	114.2	L238 V244	L238-G242 PolarHBondContact O-N 2.84Å; G242-V244 PolarHBondContact O-N 3.22Å
243	K	61.5	Low	75.6	Confident	218 Å²	218	85.9 Å²	85.9	95%	0.948	46%	0.455	S	S	*	.	S	Bend	trans	-68.9	-18.6	175	-69.3	-174.9	179.9	178.9	0	114.1
244	V	56.6	Low	75.5	Confident	135 Å²	135	87.9 Å²	87.9	82%	0.818	47%	0.465	S	S	*	.	S	Bend	trans	-118.5	109.9	175.4	-179.7	0	0	0	0	107.3	G242 D246	G242-V244 PolarHBondContact O-N 3.22Å; V244-D246 PolarHBondContact O-N 3.05Å
245	Q	70.1	Confident	75.5	Confident	116 Å²	116	86.5 Å²	86.5	54%	0.542	46%	0.46	S	S	.	.			trans	-88	106.8	179.7	-70.8	-173.6	-10.5	0	0	110.6	K247 I250	Q245-K247 PolarHBondContact O-N 2.87Å; Q245-I250 HydrophobicContact CB-CD1 4.01Å; Q245-I250 HydrophobicContact CG-CD1 4.29Å
246	D	77.8	Confident	75.6	Confident	86 Å²	86	83.2 Å²	83.2	46%	0.46	45%	0.452	S	S	.	.			trans	-71.7	97.1	164.5	-173.1	-19	0	0	0	109.3	V244 K248 A249 I250	V244-D246 PolarHBondContact O-N 3.05Å; D246-K248 PolarHBondContact O-N 3.34Å; D246-K248 WeakPolarHBondContact OD1-CA 3.35Å; D246-K248 VanDerWaalsContact OD1-CB 3.31Å; D246-K248 WeakPolarHBondContact OD1-CB 3.31Å; D246-K248 PolarHBondContact OD1-N 3.25Å; D246-A249 HydrophobicContact CB-CB 3.96Å; D246-A249 PolarHBondContact O-N 3.32Å; D246-A249 PolarHBondContact OD1-N 2.78Å; D246-A249 VanDerWaalsContact OD1-N 3.13Å; D246-I250 VanDerWaalsContact O-CG1 3.31Å; D246-I250 WeakPolarHBondContact O-CG1 3.22Å; D246-I250 PolarHBondContact O-N 2.72Å
247	K	79.3	Confident	75.8	Confident	168 Å²	168	83.2 Å²	83.2	73%	0.73	45%	0.452	S	S	*	.	H	α-helix	trans	-62	-24.4	179.2	-65.2	-176.1	178.1	-178.2	0	113.2	Q245 A251	Q245-K247 PolarHBondContact O-N 2.87Å; K247-A251 WeakPolarHBondContact O-CB 3.35Å; K247-A251 PolarHBondContact O-N 3.17Å; K247-A251 VanDerWaalsContact O-N 3.15Å
248	K	79.4	Confident	75.9	Confident	124 Å²	124	78.9 Å²	78.9	54%	0.539	44%	0.443	S	S	.	.	H	α-helix	trans	-75.5	-50.3	177	-176.8	178.7	177.8	-76	0	109.9	D246 I250 A251 E252	D246-K248 PolarHBondContact O-N 3.34Å; D246-K248 WeakPolarHBondContact OD1-CA 3.35Å; D246-K248 VanDerWaalsContact OD1-CB 3.31Å; D246-K248 WeakPolarHBondContact OD1-CB 3.31Å; D246-K248 PolarHBondContact OD1-N 3.25Å; K248-I250 VanDerWaalsContact C-N 3.29Å; K248-I250 PolarHBondContact O-N 2.86Å; K248-A251 PolarHBondContact O-N 3.3Å; K248-A251 VanDerWaalsContact O-N 3.13Å; K248-E252 VanDerWaalsContact CE-OE1 3.26Å; K248-E252 WeakPolarHBondContact CE-OE1 3.43Å; K248-E252 IonicContact NZ-OE1 2.77Å; K248-E252 PolarHBondContact NZ-OE1 2.92Å; K248-E252 IonicContact NZ-OE2 3.9Å; K248-E252 WeakPolarHBondContact O-CG 3.39Å; K248-E252 PolarHBondContact O-N 3.15Å
249	A	74.4	Confident	76.1	Confident	21 Å²	21	74.2 Å²	74.2	17%	0.174	42%	0.418	C	S	.	.	H	α-helix	trans	-60.2	-38.3	176.3	0	0	0	0	0	112.4	L239 D246 E252 A253	L239-A249 HydrophobicContact CD1-CB 3.74Å; L239-A249 HydrophobicContact CD2-CB 4.37Å; D246-A249 HydrophobicContact CB-CB 3.96Å; D246-A249 PolarHBondContact O-N 3.32Å; D246-A249 PolarHBondContact OD1-N 2.78Å; D246-A249 VanDerWaalsContact OD1-N 3.13Å; A249-E252 PolarHBondContact O-N 3.5Å; A249-A253 WeakPolarHBondContact O-CB 3.31Å; A249-A253 PolarHBondContact O-N 3.19Å
250	I	78.8	Confident	76.4	Confident	29 Å²	29	72.3 Å²	72.3	15%	0.149	41%	0.408	C	S	.	.	H	α-helix	trans	-63.9	-44.3	174.3	-67.8	166.6	0	0	0	111.2	L236 L239 Q245 D246 K248 A253 Q254	L236-I250 HydrophobicContact CD2-CG2 4.14Å; L239-I250 HydrophobicContact CB-CD1 4.33Å; L239-I250 HydrophobicContact CB-CG1 3.73Å; L239-I250 HydrophobicContact CD1-CG1 3.99Å; L239-I250 HydrophobicContact CG-CG1 4.47Å; Q245-I250 HydrophobicContact CB-CD1 4.01Å; Q245-I250 HydrophobicContact CG-CD1 4.29Å; D246-I250 VanDerWaalsContact O-CG1 3.31Å; D246-I250 WeakPolarHBondContact O-CG1 3.22Å; D246-I250 PolarHBondContact O-N 2.72Å; K248-I250 VanDerWaalsContact C-N 3.29Å; K248-I250 PolarHBondContact O-N 2.86Å; I250-A253 PolarHBondContact O-N 3.18Å; I250-Q254 WeakPolarHBondContact O-CB 3.46Å; I250-Q254 VanDerWaalsContact O-CG 3.3Å; I250-Q254 WeakPolarHBondContact O-CG 3.2Å; I250-Q254 PolarHBondContact O-N 3.02Å
251	A	77.6	Confident	77.2	Confident	32 Å²	32	72.1 Å²	72.1	26%	0.264	40%	0.4	S	S	.	.	H	α-helix	trans	-66.3	-39.4	178.1	0	0	0	0	0	112.3	K247 K248 Q254 C255 L365	K247-A251 WeakPolarHBondContact O-CB 3.35Å; K247-A251 PolarHBondContact O-N 3.17Å; K247-A251 VanDerWaalsContact O-N 3.15Å; K248-A251 PolarHBondContact O-N 3.3Å; K248-A251 VanDerWaalsContact O-N 3.13Å; A251-Q254 PolarHBondContact O-N 3.21Å; A251-C255 WeakPolarHBondContact O-CB 3.28Å; A251-C255 PolarHBondContact O-N 3.47Å; A251-L365 HydrophobicContact CB-CD1 4.45Å
252	E	77.2	Confident	78.1	Confident	103 Å²	103	68.6 Å²	68.6	48%	0.481	37%	0.368	S	S	.	.	H	α-helix	trans	-63.7	-45.2	175.3	-74	170.6	175.3	0	0	111.4	K248 A249 C255 G256	K248-E252 VanDerWaalsContact CE-OE1 3.26Å; K248-E252 WeakPolarHBondContact CE-OE1 3.43Å; K248-E252 IonicContact NZ-OE1 2.77Å; K248-E252 PolarHBondContact NZ-OE1 2.92Å; K248-E252 IonicContact NZ-OE2 3.9Å; K248-E252 WeakPolarHBondContact O-CG 3.39Å; K248-E252 PolarHBondContact O-N 3.15Å; A249-E252 PolarHBondContact O-N 3.5Å; E252-C255 PolarHBondContact O-N 3.12Å; E252-G256 PolarHBondContact O-N 2.93Å
253	A	79.1	Confident	79.2	Confident	7 Å²	7	67 Å²	67	6%	0.058	35%	0.351	C	S	.	.	H	α-helix	trans	-67.6	-34.2	176	0	0	0	0	0	113.2	M235 L236 A249 I250 L257	M235-A253 HydrophobicContact CB-CB 4.36Å; M235-A253 HydrophobicContact CG-CB 4.11Å; M235-A253 HydrophobicContact SD-CB 3.84Å; L236-A253 HydrophobicContact CD2-CB 3.66Å; L236-A253 HydrophobicContact CG-CB 3.84Å; A249-A253 WeakPolarHBondContact O-CB 3.31Å; A249-A253 PolarHBondContact O-N 3.19Å; I250-A253 PolarHBondContact O-N 3.18Å; A253-L257 VanDerWaalsContact O-CB 3.3Å; A253-L257 WeakPolarHBondContact O-CB 3.31Å; A253-L257 PolarHBondContact O-N 3.18Å
254	Q	82.3	Confident	80.5	Confident	115 Å²	115	57.5 Å²	57.5	54%	0.537	31%	0.311	S	S	.	.	H	α-helix	trans	-66	-40.5	171.2	-77.2	175.9	-6.4	0	0	112	L236 I250 A251 S258	L236-Q254 HydrophobicContact CD1-CG 4.07Å; L236-Q254 HydrophobicContact CD2-CG 3.72Å; I250-Q254 WeakPolarHBondContact O-CB 3.46Å; I250-Q254 VanDerWaalsContact O-CG 3.3Å; I250-Q254 WeakPolarHBondContact O-CG 3.2Å; I250-Q254 PolarHBondContact O-N 3.02Å; A251-Q254 PolarHBondContact O-N 3.21Å; Q254-S258 WeakPolarHBondContact O-CB 3.28Å; Q254-S258 PolarHBondContact O-N 3.44Å
255	C	81.1	Confident	82	Confident	39 Å²	39	53.2 Å²	53.2	26%	0.264	28%	0.283	S	S	.	.	H	α-helix	trans	-64.8	-50.1	176.8	-160.8	0	0	0	0	111	A251 E252 L257 S258 E259	A251-C255 WeakPolarHBondContact O-CB 3.28Å; A251-C255 PolarHBondContact O-N 3.47Å; E252-C255 PolarHBondContact O-N 3.12Å; C255-L257 PolarHBondContact O-N 3.3Å; C255-S258 WeakPolarHBondContact O-CB 3.41Å; C255-S258 PolarHBondContact O-N 2.98Å; C255-S258 VanDerWaalsContact O-N 3.11Å; C255-E259 PolarHBondContact O-N 3.37Å
256	G	80.1	Confident	83	Confident	30 Å²	30	47.7 Å²	47.7	31%	0.309	26%	0.257	S	S	.	.	H	α-helix	trans	-59.2	-42.4	176.9	0	0	0	0	0	113	E252 S258 E259 S260	E252-G256 PolarHBondContact O-N 2.93Å; G256-S258 PolarHBondContact O-N 3.38Å; G256-E259 PolarHBondContact O-N 2.91Å; G256-S260 WeakPolarHBondContact O-CB 3.15Å; G256-S260 PolarHBondContact O-N 3.31Å; G256-S260 PolarHBondContact O-OG 2.89Å
257	L	84.5	Confident	83.6	Confident	36 Å²	36	43.6 Å²	43.6	19%	0.188	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-43.4	173.7	177.8	55.4	0	0	0	112.1	A229 A232 K233 L236 A253 C255 S261	A229-L257 HydrophobicContact CB-CD1 4.19Å; A232-L257 HydrophobicContact CB-CB 3.82Å; K233-L257 HydrophobicContact CD-CD1 4.34Å; K233-L257 HydrophobicContact CG-CD1 3.7Å; K233-L257 HydrophobicContact CG-CD2 3.82Å; K233-L257 HydrophobicContact CG-CG 4.44Å; L236-L257 HydrophobicContact CD1-CB 4.46Å; L236-L257 HydrophobicContact CD1-CD2 3.74Å; A253-L257 VanDerWaalsContact O-CB 3.3Å; A253-L257 WeakPolarHBondContact O-CB 3.31Å; A253-L257 PolarHBondContact O-N 3.18Å; C255-L257 PolarHBondContact O-N 3.3Å; L257-S261 VanDerWaalsContact O-CB 3.27Å; L257-S261 WeakPolarHBondContact O-CB 3.31Å; L257-S261 PolarHBondContact O-N 2.75Å; L257-S261 PolarHBondContact O-OG 3.17Å
258	S	84.6	Confident	84	Confident	51 Å²	51	38.9 Å²	38.9	36%	0.357	21%	0.213	S	C	.	.	H	α-helix	trans	-61.5	-51.8	177	-174	0	0	0	0	111	Q254 C255 G256 S261 Q262	Q254-S258 WeakPolarHBondContact O-CB 3.28Å; Q254-S258 PolarHBondContact O-N 3.44Å; C255-S258 WeakPolarHBondContact O-CB 3.41Å; C255-S258 PolarHBondContact O-N 2.98Å; C255-S258 VanDerWaalsContact O-N 3.11Å; G256-S258 PolarHBondContact O-N 3.38Å; S258-S261 PolarHBondContact O-N 3.22Å; S258-Q262 WeakPolarHBondContact O-CG 3.23Å; S258-Q262 PolarHBondContact O-N 3.19Å; S258-Q262 PolarHBondContact OG-NE2 3.09Å
259	E	84.4	Confident	84.4	Confident	35 Å²	35	34 Å²	34	16%	0.164	20%	0.195	C	C	.	.	H	α-helix	trans	-60.5	-48.6	-179.3	-71.2	-171	-138.2	0	0	112.8	C255 G256 S261 Q262 R263 K396	C255-E259 PolarHBondContact O-N 3.37Å; G256-E259 PolarHBondContact O-N 2.91Å; E259-S261 VanDerWaalsContact C-N 3.33Å; E259-S261 PolarHBondContact O-N 3.01Å; E259-Q262 PolarHBondContact O-N 3.41Å; E259-Q262 VanDerWaalsContact O-N 3.13Å; E259-R263 PolarHBondContact O-N 2.76Å; E259-K396 IonicContact OE2-NZ 2.63Å; E259-K396 PolarHBondContact OE2-NZ 2.89Å
260	S	87.1	Confident	85.1	Confident	4 Å²	4	33 Å²	33	3%	0.028	19%	0.186	C	C	.	.	H	α-helix	trans	-64.4	-36.6	177.5	-68.4	0	0	0	0	112.3	E225 G256 Q262 R263 L264	E225-S260 WeakPolarHBondContact OE2-CA 3.36Å; E225-S260 WeakPolarHBondContact OE2-CB 3.04Å; E225-S260 PolarHBondContact OE2-OG 3.16Å; G256-S260 WeakPolarHBondContact O-CB 3.15Å; G256-S260 PolarHBondContact O-N 3.31Å; G256-S260 PolarHBondContact O-OG 2.89Å; S260-Q262 VanDerWaalsContact C-N 3.33Å; S260-Q262 PolarHBondContact O-N 2.72Å; S260-R263 PolarHBondContact O-N 3.14Å; S260-L264 WeakPolarHBondContact O-CB 3.49Å; S260-L264 VanDerWaalsContact O-CG 3.23Å; S260-L264 WeakPolarHBondContact O-CG 3.33Å; S260-L264 PolarHBondContact O-N 2.86Å
261	S	88.4	Confident	85.5	Confident	43 Å²	43	31.6 Å²	31.6	30%	0.301	18%	0.179	S	C	.	.	H	α-helix	trans	-62.1	-41.9	172.4	-56.8	0	0	0	0	111.4	L257 S258 E259 R263 L264 D265	L257-S261 VanDerWaalsContact O-CB 3.27Å; L257-S261 WeakPolarHBondContact O-CB 3.31Å; L257-S261 PolarHBondContact O-N 2.75Å; L257-S261 PolarHBondContact O-OG 3.17Å; S258-S261 PolarHBondContact O-N 3.22Å; E259-S261 VanDerWaalsContact C-N 3.33Å; E259-S261 PolarHBondContact O-N 3.01Å; S261-R263 VanDerWaalsContact C-N 3.34Å; S261-R263 PolarHBondContact O-N 2.86Å; S261-L264 PolarHBondContact O-N 2.83Å; S261-D265 PolarHBondContact O-N 2.87Å; S261-D265 VanDerWaalsContact O-N 3.1Å
262	Q	88.6	Confident	85.9	Confident	13 Å²	13	34.4 Å²	34.4	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-36.9	178.8	-67.7	-177.9	45.5	0	0	112.6	S258 E259 S260 R343 S440 L441	S258-Q262 WeakPolarHBondContact O-CG 3.23Å; S258-Q262 PolarHBondContact O-N 3.19Å; S258-Q262 PolarHBondContact OG-NE2 3.09Å; E259-Q262 PolarHBondContact O-N 3.41Å; E259-Q262 VanDerWaalsContact O-N 3.13Å; S260-Q262 VanDerWaalsContact C-N 3.33Å; S260-Q262 PolarHBondContact O-N 2.72Å; Q262-R343 VanDerWaalsContact CA-NH2 3.3Å; Q262-S440 PolarHBondContact OE1-OG 3.21Å; Q262-L441 HydrophobicContact CB-CB 4.38Å; Q262-L441 HydrophobicContact CB-CD2 3.95Å
263	R	90.2	Very high	86.3	Confident	1 Å²	1	32.8 Å²	32.8	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-70.2	-40.2	174.1	-68.3	-176.8	-175.8	120.2	-15.8	112.5	E225 E259 S260 S261 D265 L266 L267 N399 E430 L441 L444	E225-R263 HydrophobicContact CG-CB 4.12Å; E225-R263 WeakPolarHBondContact OE1-CD 3.36Å; E225-R263 IonicContact OE1-CZ 3.11Å; E225-R263 IonicContact OE1-NE 3.01Å; E225-R263 IonicContact OE1-NH1 3.14Å; E225-R263 IonicContact OE2-NH1 2.63Å; E259-R263 PolarHBondContact O-N 2.76Å; S260-R263 PolarHBondContact O-N 3.14Å; S261-R263 VanDerWaalsContact C-N 3.34Å; S261-R263 PolarHBondContact O-N 2.86Å; R263-D265 VanDerWaalsContact C-N 3.3Å; R263-D265 PolarHBondContact O-N 3.36Å; R263-L266 PolarHBondContact O-N 3.21Å; R263-L267 HydrophobicContact CB-CD1 4.46Å; R263-L267 WeakPolarHBondContact O-CB 3.3Å; R263-L267 WeakPolarHBondContact O-CG 3.38Å; R263-L267 PolarHBondContact O-N 3.48Å; R263-N399 PolarHBondContact NH1-OD1 3.43Å; R263-N399 PolarHBondContact NH2-OD1 3.23Å; R263-E430 IonicContact CZ-OE1 3.52Å; R263-E430 IonicContact CZ-OE2 3.48Å; R263-E430 IonicContact NE-OE1 2.77Å; R263-E430 PolarHBondContact NE-OE1 3.01Å; R263-E430 IonicContact NE-OE2 3.28Å; R263-E430 VanDerWaalsContact NH2-CD 3.32Å; R263-E430 IonicContact NH2-OE1 3.65Å; R263-E430 PolarHBondContact NH2-OE1 3.35Å; R263-E430 IonicContact NH2-OE2 2.69Å; R263-E430 PolarHBondContact NH2-OE2 3.39Å; R263-L441 HydrophobicContact CG-CD2 3.82Å; R263-L444 HydrophobicContact CB-CD2 4.17Å; R263-L444 HydrophobicContact CG-CD2 3.87Å
264	L	88.4	Confident	86.6	Confident	20 Å²	20	35.1 Å²	35.1	11%	0.105	19%	0.186	C	C	.	.	H	α-helix	trans	-59.8	-38.8	176.9	-75.3	166.7	0	0	0	112.4	Y222 E225 H226 A229 S260 S261 L266 R268	Y222-L264 HydrophobicContact CD2-CD2 3.56Å; Y222-L264 HydrophobicContact CE2-CD2 3.48Å; Y222-L264 VanDerWaalsContact CE2-CD2 3.48Å; Y222-L264 HydrophobicContact CG-CD2 4.18Å; Y222-L264 WeakPolarHBondContact O-CD2 3.44Å; E225-L264 HydrophobicContact CB-CD2 3.97Å; E225-L264 HydrophobicContact CB-CG 4.04Å; H226-L264 HydrophobicContact CB-CD2 4Å; A229-L264 HydrophobicContact CB-CD1 3.8Å; S260-L264 WeakPolarHBondContact O-CB 3.49Å; S260-L264 VanDerWaalsContact O-CG 3.23Å; S260-L264 WeakPolarHBondContact O-CG 3.33Å; S260-L264 PolarHBondContact O-N 2.86Å; S261-L264 PolarHBondContact O-N 2.83Å; L264-L266 VanDerWaalsContact C-N 3.34Å; L264-L266 PolarHBondContact O-N 2.97Å; L264-R268 WeakPolarHBondContact O-CB 3.47Å; L264-R268 PolarHBondContact O-N 3.3Å
265	D	89.1	Confident	86.6	Confident	44 Å²	44	29.8 Å²	29.8	24%	0.235	16%	0.162	C	C	.	.	H	α-helix	trans	-57.8	-45.2	174.5	-66.7	-40.6	0	0	0	111.9	S261 R263 C269 P341 R343	S261-D265 PolarHBondContact O-N 2.87Å; S261-D265 VanDerWaalsContact O-N 3.1Å; R263-D265 VanDerWaalsContact C-N 3.3Å; R263-D265 PolarHBondContact O-N 3.36Å; D265-C269 WeakPolarHBondContact O-CB 3.31Å; D265-C269 PolarHBondContact O-N 3.45Å; D265-P341 HydrophobicContact CB-CB 4.33Å; D265-R343 IonicContact OD2-CZ 3.73Å; D265-R343 IonicContact OD2-NH1 2.89Å; D265-R343 PolarHBondContact OD2-NH1 2.95Å; D265-R343 IonicContact OD2-NH2 2.62Å; D265-R343 PolarHBondContact OD2-NH2 3.21Å
266	L	90.3	Very high	86.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-73.5	-45.7	-179.6	-64.4	-171.8	0	0	0	112.6	R263 L264 R268 C269 S270 V340 L441 L444 P466	R263-L266 PolarHBondContact O-N 3.21Å; L264-L266 VanDerWaalsContact C-N 3.34Å; L264-L266 PolarHBondContact O-N 2.97Å; L266-R268 VanDerWaalsContact C-N 3.33Å; L266-R268 PolarHBondContact O-N 3.13Å; L266-C269 WeakPolarHBondContact O-CB 3.3Å; L266-C269 PolarHBondContact O-N 3.2Å; L266-S270 PolarHBondContact O-N 3.25Å; L266-V340 HydrophobicContact CD2-CG1 3.98Å; L266-L441 HydrophobicContact CD1-CD1 4.47Å; L266-L441 HydrophobicContact CD1-CD2 4.3Å; L266-L441 HydrophobicContact CD1-CG 3.82Å; L266-L444 HydrophobicContact CD1-CD2 4.23Å; L266-L444 HydrophobicContact CD1-CG 4.4Å; L266-P466 HydrophobicContact CD2-CG 4.38Å
267	L	89.9	Confident	86.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-38.9	179.4	-72.6	170.2	0	0	0	111.5	L218 H221 Y222 E225 R263 S270 L271 L444 Y446	L218-L267 HydrophobicContact CD2-CD2 4.16Å; H221-L267 HydrophobicContact CB-CD1 4.14Å; H221-L267 HydrophobicContact CB-CD2 4.24Å; Y222-L267 HydrophobicContact CD2-CB 4.17Å; E225-L267 HydrophobicContact CB-CD1 4.44Å; E225-L267 HydrophobicContact CG-CD1 4.03Å; R263-L267 HydrophobicContact CB-CD1 4.46Å; R263-L267 WeakPolarHBondContact O-CB 3.3Å; R263-L267 WeakPolarHBondContact O-CG 3.38Å; R263-L267 PolarHBondContact O-N 3.48Å; L267-S270 PolarHBondContact O-N 2.78Å; L267-L271 WeakPolarHBondContact O-CB 3.37Å; L267-L271 WeakPolarHBondContact O-CD1 3.27Å; L267-L271 VanDerWaalsContact O-CG 3.29Å; L267-L271 WeakPolarHBondContact O-CG 2.88Å; L267-L271 PolarHBondContact O-N 3.5Å; L267-L444 HydrophobicContact CD2-CD1 4.21Å; L267-Y446 HydrophobicContact CD2-CE2 4.48Å
268	R	88.9	Confident	86.4	Confident	69 Å²	69	37 Å²	37	26%	0.26	18%	0.183	S	C	.	.	H	α-helix	trans	-61.9	-47.6	172.7	-179.7	177.8	-61.6	-168.1	-4.8	111.7	Y222 L264 L266 S270 L271 E272 L292 S296	Y222-R268 HydrophobicContact CE2-CB 4.1Å; Y222-R268 PolarHBondContact OH-NH2 3.43Å; L264-R268 WeakPolarHBondContact O-CB 3.47Å; L264-R268 PolarHBondContact O-N 3.3Å; L266-R268 VanDerWaalsContact C-N 3.33Å; L266-R268 PolarHBondContact O-N 3.13Å; R268-S270 VanDerWaalsContact C-N 3.34Å; R268-S270 PolarHBondContact O-N 2.83Å; R268-L271 PolarHBondContact O-N 3.22Å; R268-E272 WeakPolarHBondContact CD-OE1 3.38Å; R268-E272 HydrophobicContact CG-CG 4.33Å; R268-E272 WeakPolarHBondContact CG-OE1 3.29Å; R268-E272 WeakPolarHBondContact O-CB 3.38Å; R268-E272 WeakPolarHBondContact O-CG 3.5Å; R268-E272 PolarHBondContact O-N 2.9Å; R268-L292 HydrophobicContact CG-CD2 4.21Å; R268-S296 PolarHBondContact NH1-OG 2.89Å; R268-S296 PolarHBondContact NH2-OG 3.04Å
269	C	88.1	Confident	86	Confident	22 Å²	22	37.6 Å²	37.6	15%	0.149	19%	0.185	C	C	.	.	H	α-helix	trans	-59	-44.9	178.4	-172.3	0	0	0	0	111.7	D265 L266 E272 Q273 P341 P466	D265-C269 WeakPolarHBondContact O-CB 3.31Å; D265-C269 PolarHBondContact O-N 3.45Å; L266-C269 WeakPolarHBondContact O-CB 3.3Å; L266-C269 PolarHBondContact O-N 3.2Å; C269-E272 PolarHBondContact O-N 3.22Å; C269-Q273 VanDerWaalsContact O-CG 3.28Å; C269-Q273 WeakPolarHBondContact O-CG 3.29Å; C269-Q273 PolarHBondContact O-N 2.87Å; C269-P341 HydrophobicContact CB-CG 4.06Å; C269-P466 HydrophobicContact CB-CB 4.2Å; C269-P466 HydrophobicContact CB-CG 4.36Å
270	S	88.6	Confident	85.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-46.2	174.9	173.6	0	0	0	0	112.3	L218 L266 L267 R268 E272 Q273 R274 E465	L218-S270 WeakPolarHBondContact CD1-OG 3.41Å; L218-S270 WeakPolarHBondContact CD2-OG 3.46Å; L266-S270 PolarHBondContact O-N 3.25Å; L267-S270 PolarHBondContact O-N 2.78Å; R268-S270 VanDerWaalsContact C-N 3.34Å; R268-S270 PolarHBondContact O-N 2.83Å; S270-E272 PolarHBondContact O-N 2.8Å; S270-Q273 PolarHBondContact O-N 2.88Å; S270-R274 WeakPolarHBondContact O-CG 3.2Å; S270-R274 PolarHBondContact O-N 3.39Å; S270-E465 WeakPolarHBondContact CB-OE2 3.49Å; S270-E465 PolarHBondContact OG-OE2 3.39Å
271	L	86.4	Confident	84.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.9	-49.4	175.1	-79.8	162.5	0	0	0	111.8	L218 W219 Y222 L267 R268 Q273 R274 L275	L218-L271 HydrophobicContact CB-CD2 3.58Å; L218-L271 HydrophobicContact CB-CG 3.88Å; W219-L271 HydrophobicContact CB-CD2 4.26Å; W219-L271 HydrophobicContact CE3-CD1 3.62Å; W219-L271 HydrophobicContact CE3-CD2 4.19Å; W219-L271 HydrophobicContact CZ3-CD1 3.99Å; Y222-L271 HydrophobicContact CD2-CD1 4.04Å; Y222-L271 HydrophobicContact CG-CD1 3.82Å; L267-L271 WeakPolarHBondContact O-CB 3.37Å; L267-L271 WeakPolarHBondContact O-CD1 3.27Å; L267-L271 VanDerWaalsContact O-CG 3.29Å; L267-L271 WeakPolarHBondContact O-CG 2.88Å; L267-L271 PolarHBondContact O-N 3.5Å; R268-L271 PolarHBondContact O-N 3.22Å; L271-Q273 VanDerWaalsContact C-N 3.25Å; L271-Q273 PolarHBondContact O-N 3.47Å; L271-R274 PolarHBondContact O-N 2.64Å; L271-L275 HydrophobicContact CB-CD1 4.36Å; L271-L275 WeakPolarHBondContact O-CB 3.48Å; L271-L275 VanDerWaalsContact O-CD1 3.31Å; L271-L275 WeakPolarHBondContact O-CD1 3.21Å; L271-L275 WeakPolarHBondContact O-CG 3.32Å; L271-L275 PolarHBondContact O-N 3.3Å
272	E	86.7	Confident	83.5	Confident	90 Å²	90	50.9 Å²	50.9	42%	0.421	25%	0.247	S	C	.	.	H	α-helix	trans	-60.2	-34.4	179.5	-74.4	170.9	-175.1	0	0	112.4	R268 C269 S270 Q276 L292	R268-E272 WeakPolarHBondContact CD-OE1 3.38Å; R268-E272 HydrophobicContact CG-CG 4.33Å; R268-E272 WeakPolarHBondContact CG-OE1 3.29Å; R268-E272 WeakPolarHBondContact O-CB 3.38Å; R268-E272 WeakPolarHBondContact O-CG 3.5Å; R268-E272 PolarHBondContact O-N 2.9Å; C269-E272 PolarHBondContact O-N 3.22Å; S270-E272 PolarHBondContact O-N 2.8Å; E272-Q276 WeakPolarHBondContact O-CG 3.01Å; E272-Q276 PolarHBondContact O-NE2 2.91Å; E272-L292 HydrophobicContact CG-CD1 4.47Å
273	Q	86	Confident	82.6	Confident	70 Å²	70	54.5 Å²	54.5	33%	0.327	27%	0.272	S	S	.	.	H	α-helix	trans	-69.3	-53.6	172.7	-70.6	169.5	1.3	0	0	111.8	C269 S270 L271 L275 Q276 P466	C269-Q273 VanDerWaalsContact O-CG 3.28Å; C269-Q273 WeakPolarHBondContact O-CG 3.29Å; C269-Q273 PolarHBondContact O-N 2.87Å; S270-Q273 PolarHBondContact O-N 2.88Å; L271-Q273 VanDerWaalsContact C-N 3.25Å; L271-Q273 PolarHBondContact O-N 3.47Å; Q273-L275 VanDerWaalsContact C-N 3.27Å; Q273-L275 PolarHBondContact O-N 3.33Å; Q273-Q276 WeakPolarHBondContact O-CB 3.43Å; Q273-Q276 PolarHBondContact O-N 3.06Å; Q273-P466 PolarHBondContact OE1-O 3.3Å
274	R	84.1	Confident	81.6	Confident	55 Å²	55	56.7 Å²	56.7	21%	0.208	28%	0.282	C	S	.	.	H	α-helix	trans	-68.3	-24.2	-177.7	-59.2	-54.7	-177.8	168.8	3.1	113.5	V215 L218 S270 L271 Q276 E277 E463	V215-R274 HydrophobicContact CG2-CB 3.7Å; L218-R274 HydrophobicContact CD1-CB 4.45Å; L218-R274 HydrophobicContact CD1-CG 3.94Å; S270-R274 WeakPolarHBondContact O-CG 3.2Å; S270-R274 PolarHBondContact O-N 3.39Å; L271-R274 PolarHBondContact O-N 2.64Å; R274-Q276 VanDerWaalsContact C-N 3.25Å; R274-Q276 PolarHBondContact O-N 3.11Å; R274-E277 WeakPolarHBondContact CD-OE1 3.36Å; R274-E277 WeakPolarHBondContact CD-OE2 3.43Å; R274-E277 IonicContact CZ-OE1 2.69Å; R274-E277 IonicContact CZ-OE2 2.73Å; R274-E277 IonicContact NE-OE1 3.53Å; R274-E277 IonicContact NE-OE2 3.73Å; R274-E277 VanDerWaalsContact NH1-CD 3.31Å; R274-E277 IonicContact NH1-OE1 3.19Å; R274-E277 PolarHBondContact NH1-OE1 2.97Å; R274-E277 IonicContact NH1-OE2 3.61Å; R274-E277 PolarHBondContact NH1-OE2 3.43Å; R274-E277 PolarHBondContact O-N 3Å; R274-E463 IonicContact NH2-OE2 2.76Å
275	L	83.5	Confident	81	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.016	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-8.5	171.6	-70.8	166.2	0	0	0	114.2	V215 L271 Q273 L278 A285 I288 K289 L292	V215-L275 HydrophobicContact CG1-CD2 3.99Å; L271-L275 HydrophobicContact CB-CD1 4.36Å; L271-L275 WeakPolarHBondContact O-CB 3.48Å; L271-L275 VanDerWaalsContact O-CD1 3.31Å; L271-L275 WeakPolarHBondContact O-CD1 3.21Å; L271-L275 WeakPolarHBondContact O-CG 3.32Å; L271-L275 PolarHBondContact O-N 3.3Å; Q273-L275 VanDerWaalsContact C-N 3.27Å; Q273-L275 PolarHBondContact O-N 3.33Å; L275-L278 HydrophobicContact CD2-CD1 4.44Å; L275-A285 HydrophobicContact CD2-CB 3.85Å; L275-I288 HydrophobicContact CD1-CB 4.29Å; L275-I288 HydrophobicContact CD1-CG2 3.64Å; L275-I288 HydrophobicContact CD2-CB 4.24Å; L275-I288 HydrophobicContact CD2-CD1 4.31Å; L275-I288 HydrophobicContact CD2-CG2 4.31Å; L275-K289 HydrophobicContact CD1-CG 4.34Å; L275-K289 PolarHBondContact O-NZ 3.36Å; L275-L292 HydrophobicContact CD1-CD1 4.15Å
276	Q	81.2	Confident	80.2	Confident	155 Å²	155	56.9 Å²	56.9	72%	0.724	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-18.1	169.4	-66.4	166	43.1	0	0	112.1	E272 Q273 R274 L278	E272-Q276 WeakPolarHBondContact O-CG 3.01Å; E272-Q276 PolarHBondContact O-NE2 2.91Å; Q273-Q276 WeakPolarHBondContact O-CB 3.43Å; Q273-Q276 PolarHBondContact O-N 3.06Å; R274-Q276 VanDerWaalsContact C-N 3.25Å; R274-Q276 PolarHBondContact O-N 3.11Å; Q276-L278 VanDerWaalsContact C-N 3.32Å
277	E	79.9	Confident	79.5	Confident	91 Å²	91	60.4 Å²	60.4	43%	0.425	31%	0.306	S	S	.	.	S	Bend	trans	-80	-15.5	174.1	-62.8	172.4	-174.6	0	0	112.3	V211 R274	V211-E277 HydrophobicContact CG1-CB 3.92Å; R274-E277 WeakPolarHBondContact CD-OE1 3.36Å; R274-E277 WeakPolarHBondContact CD-OE2 3.43Å; R274-E277 IonicContact CZ-OE1 2.69Å; R274-E277 IonicContact CZ-OE2 2.73Å; R274-E277 IonicContact NE-OE1 3.53Å; R274-E277 IonicContact NE-OE2 3.73Å; R274-E277 VanDerWaalsContact NH1-CD 3.31Å; R274-E277 IonicContact NH1-OE1 3.19Å; R274-E277 PolarHBondContact NH1-OE1 2.97Å; R274-E277 IonicContact NH1-OE2 3.61Å; R274-E277 PolarHBondContact NH1-OE2 3.43Å; R274-E277 PolarHBondContact O-N 3Å
278	L	78.9	Confident	78.9	Confident	10 Å²	10	60.9 Å²	60.9	5%	0.052	31%	0.308	C	S	.	.	S	Bend	trans	-89	149.3	173.9	-67.5	177.5	0	0	0	111.8	V211 V215 L275 Q276 H282 A285	V211-L278 HydrophobicContact CB-CD2 4.32Å; V211-L278 HydrophobicContact CG1-CD2 3.77Å; V211-L278 HydrophobicContact CG1-CG 3.97Å; V215-L278 HydrophobicContact CG2-CD1 4.11Å; L275-L278 HydrophobicContact CD2-CD1 4.44Å; Q276-L278 VanDerWaalsContact C-N 3.32Å; L278-H282 HydrophobicContact CB-CB 4.41Å; L278-A285 HydrophobicContact CB-CB 4.48Å; L278-A285 HydrophobicContact CD1-CB 4.22Å
279	P	77.3	Confident	78.4	Confident	64 Å²	64	61.7 Å²	61.7	42%	0.416	31%	0.314	S	S	.	.			trans	-54.9	144.3	173	-24.4	33.8	0	0	0	112.8	L208 D281 H282	L208-P279 HydrophobicContact CD2-CG 4.25Å; P279-D281 VanDerWaalsContact C-N 3.26Å; P279-D281 PolarHBondContact O-N 2.97Å; P279-H282 WeakPolarHBondContact O-CB 3.47Å; P279-H282 PolarHBondContact O-N 3.15Å
280	E	64.9	Low	77.8	Confident	172 Å²	172	66.5 Å²	66.5	80%	0.804	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-34.3	-175.1	-64.3	-165	138.2	0	0	113.4	H282	E280-H282 VanDerWaalsContact C-N 3.26Å; E280-H282 PolarHBondContact O-N 3.26Å
281	D	66.9	Low	77.1	Confident	156 Å²	156	69.7 Å²	69.7	83%	0.834	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	6.6	177.1	-64	-44.9	0	0	0	114.1	P279 P283	P279-D281 VanDerWaalsContact C-N 3.26Å; P279-D281 PolarHBondContact O-N 2.97Å; D281-P283 WeakPolarHBondContact O-CD 3.31Å
282	H	75.1	Confident	76.7	Confident	33 Å²	33	70.2 Å²	70.2	15%	0.153	35%	0.351	C	S	.	.			trans	-70.4	119.8	-175.3	-167.2	-99.9	0	0	0	111.5	E212 L278 P279 E280 K284 A285 C286	E212-H282 IonicContact OE1-CE1 3.2Å; E212-H282 IonicContact OE1-NE2 3.47Å; L278-H282 HydrophobicContact CB-CB 4.41Å; P279-H282 WeakPolarHBondContact O-CB 3.47Å; P279-H282 PolarHBondContact O-N 3.15Å; E280-H282 VanDerWaalsContact C-N 3.26Å; E280-H282 PolarHBondContact O-N 3.26Å; H282-K284 VanDerWaalsContact C-N 3.32Å; H282-K284 PolarHBondContact O-N 2.94Å; H282-A285 HydrophobicContact CB-CB 4.06Å; H282-A285 WeakPolarHBondContact O-CA 3.48Å; H282-A285 WeakPolarHBondContact O-CB 3.42Å; H282-A285 PolarHBondContact O-N 3.34Å; H282-C286 PolarHBondContact O-N 3.14Å; H282-C286 PolarHBondContact O-SG 3.13Å
283	P	69.6	Low	76.2	Confident	90 Å²	90	70.5 Å²	70.5	58%	0.584	36%	0.359	S	S	*	.	H	α-helix	trans	-62.9	-34.5	-167.4	22.8	-34	0	0	0	113.5	D281 A285 L287	D281-P283 WeakPolarHBondContact O-CD 3.31Å; P283-A285 VanDerWaalsContact C-N 3.33Å; P283-L287 WeakPolarHBondContact O-CG 3.39Å; P283-L287 PolarHBondContact O-N 2.91Å
284	K	70.1	Confident	75.4	Confident	47 Å²	47	70.2 Å²	70.2	20%	0.204	36%	0.36	C	S	.	.	H	α-helix	trans	-67.6	-33.3	173.8	-61.7	-176.7	-177.9	169	0	112.2	E212 E216 H282 I288	E212-K284 HydrophobicContact CG-CD 4.41Å; E212-K284 WeakPolarHBondContact OE1-CD 3.29Å; E212-K284 VanDerWaalsContact OE1-CE 3.22Å; E212-K284 WeakPolarHBondContact OE1-CE 3.31Å; E212-K284 IonicContact OE1-NZ 2.68Å; E212-K284 PolarHBondContact OE1-NZ 2.93Å; E216-K284 IonicContact OE1-NZ 3.44Å; E216-K284 PolarHBondContact OE1-NZ 2.89Å; H282-K284 VanDerWaalsContact C-N 3.32Å; H282-K284 PolarHBondContact O-N 2.94Å; K284-I288 WeakPolarHBondContact O-CD1 3.44Å; K284-I288 VanDerWaalsContact O-CG1 3.25Å; K284-I288 WeakPolarHBondContact O-CG1 3.07Å; K284-I288 PolarHBondContact O-N 3.48Å; K284-I288 VanDerWaalsContact O-N 3.1Å
285	A	75.1	Confident	74.5	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.008	37%	0.365	C	S	.	.	H	α-helix	trans	-72.6	-38.1	-178.4	0	0	0	0	0	111.7	L275 L278 H282 P283 K289	L275-A285 HydrophobicContact CD2-CB 3.85Å; L278-A285 HydrophobicContact CB-CB 4.48Å; L278-A285 HydrophobicContact CD1-CB 4.22Å; H282-A285 HydrophobicContact CB-CB 4.06Å; H282-A285 WeakPolarHBondContact O-CA 3.48Å; H282-A285 WeakPolarHBondContact O-CB 3.42Å; H282-A285 PolarHBondContact O-N 3.34Å; P283-A285 VanDerWaalsContact C-N 3.33Å; A285-K289 WeakPolarHBondContact O-CB 3.4Å; A285-K289 WeakPolarHBondContact O-CD 3.03Å; A285-K289 WeakPolarHBondContact O-CG 3.37Å; A285-K289 PolarHBondContact O-N 2.85Å; A285-K289 VanDerWaalsContact O-N 3.08Å
286	C	72.9	Confident	73.4	Confident	66 Å²	66	72.5 Å²	72.5	45%	0.446	39%	0.387	S	S	.	.	H	α-helix	trans	-60.4	-49.7	173.1	-54.9	0	0	0	0	111.6	H282 K289 E290	H282-C286 PolarHBondContact O-N 3.14Å; H282-C286 PolarHBondContact O-SG 3.13Å; C286-K289 PolarHBondContact O-N 2.81Å; C286-E290 PolarHBondContact O-N 3.25Å
287	L	75.3	Confident	72.3	Confident	74 Å²	74	67.4 Å²	67.4	39%	0.387	37%	0.368	S	S	.	.	H	α-helix	trans	-59.9	-48.1	179.8	-70.5	169.6	0	0	0	112.2	P283 K289 E290 E291	P283-L287 WeakPolarHBondContact O-CG 3.39Å; P283-L287 PolarHBondContact O-N 2.91Å; L287-K289 VanDerWaalsContact C-N 3.34Å; L287-K289 PolarHBondContact O-N 3.1Å; L287-E290 PolarHBondContact O-N 3.21Å; L287-E291 WeakPolarHBondContact O-CG 2.88Å; L287-E291 PolarHBondContact O-N 3.37Å
288	I	77.2	Confident	70.6	Confident	10 Å²	10	68.4 Å²	68.4	5%	0.051	39%	0.385	C	S	.	.	H	α-helix	trans	-65.1	-38.4	-179.4	-65.1	166.9	0	0	0	111.2	V215 W219 L275 K284 E290 E291 L292	V215-I288 HydrophobicContact CG1-CD1 3.58Å; W219-I288 HydrophobicContact CB-CD1 4.32Å; W219-I288 HydrophobicContact CD2-CD1 4.42Å; W219-I288 HydrophobicContact CD2-CG1 4.04Å; W219-I288 HydrophobicContact CD2-CG2 3.93Å; W219-I288 HydrophobicContact CE3-CG2 3.59Å; W219-I288 HydrophobicContact CG-CD1 4.07Å; W219-I288 HydrophobicContact CG-CG1 4.1Å; W219-I288 HydrophobicContact CH2-CG2 4.23Å; W219-I288 HydrophobicContact CZ3-CG2 3.75Å; L275-I288 HydrophobicContact CD1-CB 4.29Å; L275-I288 HydrophobicContact CD1-CG2 3.64Å; L275-I288 HydrophobicContact CD2-CB 4.24Å; L275-I288 HydrophobicContact CD2-CD1 4.31Å; L275-I288 HydrophobicContact CD2-CG2 4.31Å; K284-I288 WeakPolarHBondContact O-CD1 3.44Å; K284-I288 VanDerWaalsContact O-CG1 3.25Å; K284-I288 WeakPolarHBondContact O-CG1 3.07Å; K284-I288 PolarHBondContact O-N 3.48Å; K284-I288 VanDerWaalsContact O-N 3.1Å; I288-E290 VanDerWaalsContact C-N 3.35Å; I288-E290 PolarHBondContact O-N 2.94Å; I288-E291 PolarHBondContact O-N 2.95Å; I288-L292 HydrophobicContact CG2-CD1 4.06Å; I288-L292 HydrophobicContact CG2-CG 4.38Å; I288-L292 WeakPolarHBondContact O-CB 3.16Å; I288-L292 WeakPolarHBondContact O-CG 3.35Å; I288-L292 PolarHBondContact O-N 3.05Å
289	K	79.2	Confident	68.8	Low	87 Å²	87	71.7 Å²	71.7	38%	0.378	41%	0.414	S	S	.	.	H	α-helix	trans	-62	-41	174.8	-74.2	170.6	-174.4	174	0	111.5	L275 A285 C286 L287 V293	L275-K289 HydrophobicContact CD1-CG 4.34Å; L275-K289 PolarHBondContact O-NZ 3.36Å; A285-K289 WeakPolarHBondContact O-CB 3.4Å; A285-K289 WeakPolarHBondContact O-CD 3.03Å; A285-K289 WeakPolarHBondContact O-CG 3.37Å; A285-K289 PolarHBondContact O-N 2.85Å; A285-K289 VanDerWaalsContact O-N 3.08Å; C286-K289 PolarHBondContact O-N 2.81Å; L287-K289 VanDerWaalsContact C-N 3.34Å; L287-K289 PolarHBondContact O-N 3.1Å; K289-V293 WeakPolarHBondContact O-CG2 3.45Å; K289-V293 PolarHBondContact O-N 3.1Å
290	E	75.3	Confident	67	Low	123 Å²	123	74.1 Å²	74.1	58%	0.575	42%	0.418	S	S	*	.	H	α-helix	trans	-65.3	-46.9	175.5	-171.5	174.4	-170.7	0	0	111.9	C286 L287 I288 L292 V293 L294	C286-E290 PolarHBondContact O-N 3.25Å; L287-E290 PolarHBondContact O-N 3.21Å; I288-E290 VanDerWaalsContact C-N 3.35Å; I288-E290 PolarHBondContact O-N 2.94Å; E290-L292 VanDerWaalsContact C-N 3.35Å; E290-L292 PolarHBondContact O-N 3.2Å; E290-V293 PolarHBondContact O-N 3.26Å; E290-L294 HydrophobicContact CG-CD1 4.26Å; E290-L294 WeakPolarHBondContact O-CG 3.33Å; E290-L294 PolarHBondContact O-N 2.81Å
291	E	73.5	Confident	65.8	Low	67 Å²	67	69.4 Å²	69.4	31%	0.313	40%	0.404	S	S	.	.	H	α-helix	trans	-62.7	-36.9	178.1	-69.6	-170.9	118.2	0	0	112.6	W219 L287 I288 L294 A295	W219-E291 HydrophobicContact CH2-CB 3.82Å; W219-E291 HydrophobicContact CZ2-CB 3.66Å; W219-E291 HydrophobicContact CZ2-CG 4.32Å; W219-E291 WeakPolarHBondContact CZ2-OE2 3.37Å; W219-E291 PolarHBondContact NE1-OE2 3.36Å; L287-E291 WeakPolarHBondContact O-CG 2.88Å; L287-E291 PolarHBondContact O-N 3.37Å; I288-E291 PolarHBondContact O-N 2.95Å; E291-L294 PolarHBondContact O-N 3.13Å; E291-A295 VanDerWaalsContact O-CB 3.28Å; E291-A295 WeakPolarHBondContact O-CB 3.39Å; E291-A295 PolarHBondContact O-N 3.08Å
292	L	77.9	Confident	64.4	Low	10 Å²	10	66.8 Å²	66.8	5%	0.052	40%	0.398	C	S	.	.	H	α-helix	trans	-64.9	-37	174.9	-78.1	171.8	0	0	0	113.2	W219 Y222 R268 E272 L275 I288 E290 S296	W219-L292 HydrophobicContact CH2-CD2 4.33Å; W219-L292 HydrophobicContact CH2-CG 4.23Å; W219-L292 HydrophobicContact CZ3-CD2 3.81Å; W219-L292 HydrophobicContact CZ3-CG 3.89Å; Y222-L292 HydrophobicContact CD1-CD2 4.45Å; Y222-L292 HydrophobicContact CE1-CD2 3.83Å; Y222-L292 HydrophobicContact CE2-CD2 3.98Å; R268-L292 HydrophobicContact CG-CD2 4.21Å; E272-L292 HydrophobicContact CG-CD1 4.47Å; L275-L292 HydrophobicContact CD1-CD1 4.15Å; I288-L292 HydrophobicContact CG2-CD1 4.06Å; I288-L292 HydrophobicContact CG2-CG 4.38Å; I288-L292 WeakPolarHBondContact O-CB 3.16Å; I288-L292 WeakPolarHBondContact O-CG 3.35Å; I288-L292 PolarHBondContact O-N 3.05Å; E290-L292 VanDerWaalsContact C-N 3.35Å; E290-L292 PolarHBondContact O-N 3.2Å; L292-S296 PolarHBondContact O-N 3.19Å; L292-S296 PolarHBondContact O-OG 3.38Å
293	V	75.8	Confident	62.6	Low	97 Å²	97	73 Å²	73	59%	0.588	43%	0.427	S	S	*	.	H	α-helix	trans	-70.3	-43	176	170.8	0	0	0	0	110.9	K289 E290 S296 S297	K289-V293 WeakPolarHBondContact O-CG2 3.45Å; K289-V293 PolarHBondContact O-N 3.1Å; E290-V293 PolarHBondContact O-N 3.26Å; V293-S296 PolarHBondContact O-N 2.79Å; V293-S297 PolarHBondContact O-OG 2.75Å; V293-S297 VanDerWaalsContact O-OG 3.12Å
294	L	69.4	Low	60.8	Low	64 Å²	64	73.3 Å²	73.3	34%	0.335	42%	0.42	S	S	.	.	H	α-helix	trans	-62.5	-46.2	175.5	-69.5	171.8	0	0	0	111.5	E290 E291 S296 S297	E290-L294 HydrophobicContact CG-CD1 4.26Å; E290-L294 WeakPolarHBondContact O-CG 3.33Å; E290-L294 PolarHBondContact O-N 2.81Å; E291-L294 PolarHBondContact O-N 3.13Å; L294-S296 PolarHBondContact O-N 3Å; L294-S296 VanDerWaalsContact O-N 3.14Å; L294-S297 WeakPolarHBondContact O-CB 3.33Å; L294-S297 PolarHBondContact O-N 2.86Å
295	A	64.6	Low	59	Low	39 Å²	39	76.9 Å²	76.9	32%	0.322	45%	0.451	S	S	.	.	H	α-helix	trans	-63.1	-18.3	177	0	0	0	0	0	114	E291	E291-A295 VanDerWaalsContact O-CB 3.28Å; E291-A295 WeakPolarHBondContact O-CB 3.39Å; E291-A295 PolarHBondContact O-N 3.08Å
296	S	61.7	Low	56.7	Low	67 Å²	67	81 Å²	81	47%	0.469	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-6.5	176.6	-58.8	0	0	0	0	113.6	R268 L292 V293 L294	R268-S296 PolarHBondContact NH1-OG 2.89Å; R268-S296 PolarHBondContact NH2-OG 3.04Å; L292-S296 PolarHBondContact O-N 3.19Å; L292-S296 PolarHBondContact O-OG 3.38Å; V293-S296 PolarHBondContact O-N 2.79Å; L294-S296 PolarHBondContact O-N 3Å; L294-S296 VanDerWaalsContact O-N 3.14Å
297	S	57.7	Low	54.8	Low	48 Å²	48	83.2 Å²	83.2	34%	0.336	49%	0.49	S	S	.	.			trans	-99.6	102.2	-171.8	-65.1	0	0	0	0	112.6	V293 L294 A299 F300	V293-S297 PolarHBondContact O-OG 2.75Å; V293-S297 VanDerWaalsContact O-OG 3.12Å; L294-S297 WeakPolarHBondContact O-CB 3.33Å; L294-S297 PolarHBondContact O-N 2.86Å; S297-A299 PolarHBondContact O-N 3.39Å; S297-A299 VanDerWaalsContact O-N 3.07Å; S297-F300 PolarHBondContact O-N 2.71Å
298	S	45.5	Very low	52.8	Low	111 Å²	111	86 Å²	86	78%	0.776	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.2	-179.8	57	0	0	0	0	114.6	F300 S301	S298-F300 VanDerWaalsContact C-N 3.34Å; S298-F300 PolarHBondContact O-N 2.98Å; S298-S301 PolarHBondContact O-OG 3.23Å
299	A	40.1	Very low	50.9	Low	79 Å²	79	91.3 Å²	91.3	65%	0.653	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.2	-179.6	0	0	0	0	0	115.1	S297	S297-A299 PolarHBondContact O-N 3.39Å; S297-A299 VanDerWaalsContact O-N 3.07Å
300	F	39.8	Very low	48.6	Very low	116 Å²	116	92 Å²	92	51%	0.509	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-5.7	-176.4	-74.5	-83.4	0	0	0	114.4	S297 S298 S302	S297-F300 PolarHBondContact O-N 2.71Å; S298-F300 VanDerWaalsContact C-N 3.34Å; S298-F300 PolarHBondContact O-N 2.98Å; F300-S302 PolarHBondContact O-N 3.36Å
301	S	40	Very low	46.6	Very low	72 Å²	72	89.6 Å²	89.6	50%	0.503	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-3.5	-177.4	65.6	0	0	0	0	116.1	S298	S298-S301 PolarHBondContact O-OG 3.23Å
302	S	37.8	Very low	44.6	Very low	101 Å²	101	92.5 Å²	92.5	71%	0.706	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-3.8	-171.5	56.7	0	0	0	0	115.5	F300	F300-S302 PolarHBondContact O-N 3.36Å
303	Q	35.5	Very low	42.5	Very low	163 Å²	163	99.4 Å²	99.4	76%	0.762	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.1	0.2	-175.6	-79.5	-168.5	-19.5	0	0	116.1
304	Q	33.3	Very low	40.7	Very low	97 Å²	97	97.8 Å²	97.8	45%	0.453	56%	0.557	S	S	.	*			trans	-107.7	64.8	-179.2	-74.3	175.2	-17.1	0	0	113	T306 Y308	Q304-T306 PolarHBondContact O-N 2.66Å; Q304-Y308 HydrophobicContact CB-CE2 4.26Å; Q304-Y308 HydrophobicContact CG-CE2 4.28Å; Q304-Y308 PolarHBondContact NE2-OH 2.83Å; Q304-Y308 PolarHBondContact OE1-OH 3.18Å
305	S	30.9	Very low	39.3	Very low	122 Å²	122	97.5 Å²	97.5	85%	0.853	56%	0.558	S	S	*	*			trans	-87.3	47.9	157.2	49.3	0	0	0	0	111.1
306	T	27.8	Very low	38.5	Very low	88 Å²	88	97.8 Å²	97.8	54%	0.54	55%	0.554	S	S	.	*	S	Bend	trans	-122.7	132.1	174.3	46.8	0	0	0	0	110	Q304 Y308	Q304-T306 PolarHBondContact O-N 2.66Å; T306-Y308 PolarHBondContact O-N 2.66Å; T306-Y308 VanDerWaalsContact O-N 3.14Å
307	P	32.7	Very low	37.9	Very low	113 Å²	113	97.7 Å²	97.7	73%	0.734	55%	0.554	S	S	*	*			trans	-67	114.8	179	27.6	-33.2	0	0	0	109.5	V309	P307-V309 WeakPolarHBondContact O-CG2 3.29Å; P307-V309 PolarHBondContact O-N 3.43Å
308	Y	34	Very low	37.7	Very low	132 Å²	132	101.7 Å²	101.7	52%	0.518	57%	0.565	S	S	.	*			trans	-69.7	122.8	-174.7	-103.7	-89.8	0	0	0	111.7	Q304 T306 H310	Q304-Y308 HydrophobicContact CB-CE2 4.26Å; Q304-Y308 HydrophobicContact CG-CE2 4.28Å; Q304-Y308 PolarHBondContact NE2-OH 2.83Å; Q304-Y308 PolarHBondContact OE1-OH 3.18Å; T306-Y308 PolarHBondContact O-N 2.66Å; T306-Y308 VanDerWaalsContact O-N 3.14Å; Y308-H310 PolarHBondContact O-N 3.25Å
309	V	36.4	Very low	38.5	Very low	121 Å²	121	96.9 Å²	96.9	73%	0.733	53%	0.532	S	S	*	.			trans	-94.6	77.5	-171.4	-173.7	0	0	0	0	111.1	P307	P307-V309 WeakPolarHBondContact O-CG2 3.29Å; P307-V309 PolarHBondContact O-N 3.43Å
310	H	31.6	Very low	39.6	Very low	103 Å²	103	94.3 Å²	94.3	48%	0.477	51%	0.508	S	S	.	.			trans	-156.8	102.8	156.8	-136.5	69	0	0	0	114.2	Y308	Y308-H310 PolarHBondContact O-N 3.25Å
311	N	32.3	Very low	41	Very low	72 Å²	72	89.2 Å²	89.2	39%	0.385	49%	0.487	S	S	.	.			trans	-142.2	30.6	169.1	-159.1	36.8	0	0	0	112.9	Y313 S314	N311-Y313 PolarHBondContact O-N 3.42Å; N311-S314 VanDerWaalsContact OD1-CB 3.32Å; N311-S314 WeakPolarHBondContact OD1-CB 3.25Å
312	Q	31.6	Very low	42.6	Very low	127 Å²	127	85.8 Å²	85.8	59%	0.593	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-10.1	-172.6	-68.5	-169.6	-1.2	0	0	115.3
313	Y	34.8	Very low	44.4	Very low	155 Å²	155	82.4 Å²	82.4	61%	0.608	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.8	23	-171.7	-59.9	-76.7	0	0	0	115.5	N311 T315	N311-Y313 PolarHBondContact O-N 3.42Å; Y313-T315 WeakPolarHBondContact O-CG2 3.42Å; Y313-T315 PolarHBondContact O-N 3.33Å; Y313-T315 VanDerWaalsContact O-N 3.14Å
314	S	37.8	Very low	46.3	Very low	63 Å²	63	75.4 Å²	75.4	44%	0.441	41%	0.41	S	S	.	.			trans	-69.3	113.5	173.3	-178.6	0	0	0	0	110.7	N311	N311-S314 VanDerWaalsContact OD1-CB 3.32Å; N311-S314 WeakPolarHBondContact OD1-CB 3.25Å
315	T	40.4	Very low	48.5	Very low	58 Å²	58	72.9 Å²	72.9	36%	0.356	40%	0.401	S	S	.	.			trans	-96	-3.5	-175.7	68.4	0	0	0	0	114	L213 E216 Y313 R852	L213-T315 VanDerWaalsContact CD2-OG1 3.31Å; L213-T315 WeakPolarHBondContact CD2-OG1 3.48Å; E216-T315 PolarHBondContact OE2-N 3.49Å; E216-T315 VanDerWaalsContact OE2-N 3.13Å; E216-T315 PolarHBondContact OE2-OG1 2.97Å; Y313-T315 WeakPolarHBondContact O-CG2 3.42Å; Y313-T315 PolarHBondContact O-N 3.33Å; Y313-T315 VanDerWaalsContact O-N 3.14Å; T315-R852 PolarHBondContact O-NH2 3.26Å
316	L	47.8	Very low	51.1	Low	45 Å²	45	67.1 Å²	67.1	24%	0.236	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-76.5	117.9	-172.6	-64.2	174.8	0	0	0	112.4	E216 E217 H220	E216-L316 HydrophobicContact CB-CD1 4.01Å; E216-L316 HydrophobicContact CB-CG 4.27Å; E217-L316 HydrophobicContact CG-CD1 4.17Å; E217-L316 HydrophobicContact CG-CD2 3.73Å; H220-L316 HydrophobicContact CB-CD1 4.33Å
317	S	49.1	Very low	53.9	Low	66 Å²	66	66 Å²	66	46%	0.462	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-71.2	123.8	169.4	55.8	0	0	0	0	110.6	P319	S317-P319 WeakPolarHBondContact O-CD 3.49Å
318	K	53.1	Low	56.6	Low	131 Å²	131	60.6 Å²	60.6	57%	0.57	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-60	120.9	171.3	-172.7	177.9	-175.1	177.9	0	108.7
319	P	61.6	Low	59.3	Low	11 Å²	11	57.8 Å²	57.8	7%	0.071	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-62.6	148.1	-175.4	17.8	-26.9	0	0	0	112.3	S317 R427 E428 K448 E450	S317-P319 WeakPolarHBondContact O-CD 3.49Å; P319-R427 HydrophobicContact CB-CB 4.49Å; P319-R427 HydrophobicContact CG-CB 4.17Å; P319-R427 WeakPolarHBondContact O-CD 3.29Å; P319-R427 PolarHBondContact O-NH1 3.5Å; P319-E428 HydrophobicContact CG-CG 3.65Å; P319-E428 WeakPolarHBondContact CG-OE1 3.48Å; P319-K448 HydrophobicContact CG-CG 4.46Å; P319-E450 WeakPolarHBondContact CA-OE2 3.47Å; P319-E450 HydrophobicContact CB-CG 4.21Å
320	S	63.3	Low	61.9	Low	24 Å²	24	52 Å²	52	17%	0.168	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-64.4	140.8	179.4	-57	0	0	0	0	111.2	E450	S320-E450 PolarHBondContact N-OE2 2.91Å; S320-E450 VanDerWaalsContact N-OE2 3.12Å
321	P	70	Confident	64.6	Low	10 Å²	10	47.4 Å²	47.4	7%	0.065	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-74.6	138	172.2	31.3	-29.6	0	0	0	110	R425 R427 E482	P321-R425 WeakPolarHBondContact CA-O 3.37Å; P321-R425 HydrophobicContact CB-CB 4.26Å; P321-R425 WeakPolarHBondContact CB-O 3.32Å; P321-R427 HydrophobicContact CB-CG 4.03Å; P321-E482 WeakPolarHBondContact CG-O 3.18Å
322	L	73.3	Confident	67.3	Low	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133	-167.5	-67.4	165.7	0	0	0	110.6	L423 R425 S426 L449 E450 L453 F476 I481	L322-L423 WeakPolarHBondContact O-CB 3.44Å; L322-R425 CarbonylContact O-C 3.52Å; L322-R425 PolarHBondContact O-N 2.85Å; L322-S426 WeakPolarHBondContact CB-O 3.46Å; L322-S426 PolarHBondContact N-O 3.18Å; L322-S426 PolarHBondContact O-N 3.1Å; L322-L449 HydrophobicContact CD1-CB 3.55Å; L322-E450 HydrophobicContact CD1-CB 4.2Å; L322-E450 VanDerWaalsContact CD1-N 3.34Å; L322-L453 HydrophobicContact CD1-CD2 4.17Å; L322-L453 HydrophobicContact CD2-CD2 3.74Å; L322-F476 HydrophobicContact CB-CE1 4.14Å; L322-F476 HydrophobicContact CB-CZ 4.09Å; L322-F476 HydrophobicContact CD1-CE1 4.1Å; L322-F476 HydrophobicContact CD2-CE1 4.47Å; L322-F476 HydrophobicContact CG-CE1 4.46Å; L322-I481 HydrophobicContact CD2-CB 4.05Å; L322-I481 HydrophobicContact CD2-CD1 3.93Å; L322-I481 HydrophobicContact CD2-CG1 3.54Å; L322-I481 HydrophobicContact CD2-CG2 3.84Å
323	T	74.6	Confident	70.2	Confident	30 Å²	30	38 Å²	38	18%	0.184	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	142.8	177.3	-60.8	0	0	0	0	108.2	L423 R425 V480 E482	T323-L423 VanDerWaalsContact CA-O 3.26Å; T323-L423 WeakPolarHBondContact CA-O 3.18Å; T323-L423 WeakPolarHBondContact CG2-O 3.22Å; T323-R425 PolarHBondContact OG1-N 3.35Å; T323-V480 PolarHBondContact N-O 2.87Å; T323-V480 PolarHBondContact O-N 3.31Å; T323-V480 VanDerWaalsContact O-O 3.14Å; T323-E482 PolarHBondContact OG1-OE1 3.17Å
324	G	75.8	Confident	72.8	Confident	16 Å²	16	32.7 Å²	32.7	17%	0.165	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.6	-156.8	-179.3	0	0	0	0	0	113	L423	G324-L423 PolarHBondContact N-O 3.34Å; G324-L423 PolarHBondContact O-N 3.14Å
325	T	80.3	Confident	75.2	Confident	44 Å²	44	32 Å²	32	27%	0.27	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	113	-176.5	-49.6	0	0	0	0	111.3	T420 F477	T325-T420 HydrophobicContact CG2-CG2 3.53Å; T325-F477 PolarHBondContact N-O 3.34Å; T325-F477 VanDerWaalsContact N-O 3.09Å; T325-F477 PolarHBondContact O-N 3.35Å
326	L	85.9	Confident	77.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.5	176.4	-167.9	72.7	0	0	0	110.1	V328 V421 L423 M429 L449 V474 F476	L326-V328 HydrophobicContact CD2-CG2 3.67Å; L326-V328 HydrophobicContact CG-CG2 3.79Å; L326-V421 PolarHBondContact N-O 3.48Å; L326-V421 PolarHBondContact O-N 3.31Å; L326-L423 HydrophobicContact CB-CD1 3.98Å; L326-L423 HydrophobicContact CB-CD2 4.29Å; L326-L423 HydrophobicContact CB-CG 4.09Å; L326-M429 HydrophobicContact CD2-CE 3.95Å; L326-M429 HydrophobicContact CD2-SD 3.8Å; L326-L449 HydrophobicContact CD2-CD2 3.68Å; L326-V474 HydrophobicContact CD1-CG1 3.72Å; L326-V474 HydrophobicContact CG-CG1 4.39Å; L326-F476 HydrophobicContact CD1-CB 3.88Å; L326-F476 HydrophobicContact CD1-CD2 4.37Å; L326-F476 HydrophobicContact CD1-CG 4.03Å
327	Q	86.5	Confident	79.3	Confident	65 Å²	65	28.8 Å²	28.8	30%	0.304	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128	168.9	-173.1	175.2	58.3	0	0	109.4	T418 F419 V474 T475 F477	Q327-T418 HydrophobicContact CG-CG2 3.53Å; Q327-F419 CarbonylContact C-O 3.41Å; Q327-F419 WeakPolarHBondContact CA-O 3.31Å; Q327-V474 WeakPolarHBondContact O-CA 3.4Å; Q327-T475 PolarHBondContact N-O 2.89Å; Q327-T475 PolarHBondContact O-N 3.2Å; Q327-F477 HydrophobicContact CB-CD2 4.24Å; Q327-F477 HydrophobicContact CB-CE2 3.73Å
328	V	89.2	Confident	80.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	113.8	-176	-174.6	0	0	0	0	108.7	L326 L330 L395 T418 F419 M429 E473 V474	L326-V328 HydrophobicContact CD2-CG2 3.67Å; L326-V328 HydrophobicContact CG-CG2 3.79Å; V328-L330 HydrophobicContact CG1-CD2 3.9Å; V328-L330 HydrophobicContact CG1-CG 4.45Å; V328-L395 HydrophobicContact CB-CD2 3.91Å; V328-L395 HydrophobicContact CG1-CD2 3.93Å; V328-L395 HydrophobicContact CG2-CD2 4.19Å; V328-T418 WeakPolarHBondContact O-CA 3.3Å; V328-F419 PolarHBondContact N-O 3.05Å; V328-F419 PolarHBondContact O-N 3.01Å; V328-M429 HydrophobicContact CG1-CE 4.37Å; V328-M429 HydrophobicContact CG2-CE 3.82Å; V328-M429 HydrophobicContact CG2-SD 4.11Å; V328-E473 WeakPolarHBondContact CA-O 3.28Å; V328-V474 HydrophobicContact CG1-CG2 4.47Å
329	R	90.4	Very high	82.1	Confident	72 Å²	72	30 Å²	30	27%	0.272	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112.4	175.4	-178	175.7	-179.9	-162.6	5.4	109.4	L331 D416 H417 T418 A472 E473	R329-L331 HydrophobicContact CG-CD2 4.17Å; R329-D416 IonicContact CZ-OD1 2.66Å; R329-D416 IonicContact CZ-OD2 3.11Å; R329-D416 IonicContact NE-OD1 3.72Å; R329-D416 PolarHBondContact NE-OD1 3.45Å; R329-D416 VanDerWaalsContact NH2-CG 3.26Å; R329-D416 IonicContact NH2-OD1 3.62Å; R329-D416 PolarHBondContact NH2-OD1 3.21Å; R329-D416 IonicContact NH2-OD2 2.79Å; R329-D416 PolarHBondContact NH2-OD2 2.85Å; R329-H417 CarbonylContact C-O 3.59Å; R329-H417 WeakPolarHBondContact CA-O 3.21Å; R329-T418 HydrophobicContact CB-CG2 4.39Å; R329-T418 WeakPolarHBondContact CG-OG1 3.41Å; R329-A472 CarbonylContact O-C 3.54Å; R329-A472 VanDerWaalsContact O-CA 3.27Å; R329-A472 WeakPolarHBondContact O-CA 3.44Å; R329-E473 HydrophobicContact CB-CB 4.21Å; R329-E473 WeakPolarHBondContact CD-OE2 3.35Å; R329-E473 PolarHBondContact N-O 3.46Å; R329-E473 IonicContact NH1-OE2 3.57Å; R329-E473 PolarHBondContact NH1-OE2 3.13Å; R329-E473 PolarHBondContact O-N 3.32Å
330	L	90.9	Very high	83.1	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116.1	174.9	-60.6	-168.6	0	0	0	109.2	V328 A393 L395 T405 W415 D416 H417 F419 I431 L470 A472	V328-L330 HydrophobicContact CG1-CD2 3.9Å; V328-L330 HydrophobicContact CG1-CG 4.45Å; L330-A393 HydrophobicContact CD1-CB 3.61Å; L330-L395 HydrophobicContact CD1-CD1 3.69Å; L330-L395 HydrophobicContact CG-CD1 4.4Å; L330-T405 HydrophobicContact CB-CG2 4.34Å; L330-T405 HydrophobicContact CD1-CG2 3.98Å; L330-W415 HydrophobicContact CB-CE3 4.29Å; L330-D416 WeakPolarHBondContact O-CA 3.32Å; L330-D416 PolarHBondContact O-N 2.75Å; L330-H417 PolarHBondContact N-O 3.3Å; L330-H417 PolarHBondContact O-N 3.28Å; L330-F419 HydrophobicContact CD1-CE2 4.15Å; L330-F419 HydrophobicContact CG-CE2 4.2Å; L330-I431 HydrophobicContact CD1-CG2 4.27Å; L330-I431 HydrophobicContact CD2-CD1 4.28Å; L330-L470 HydrophobicContact CD2-CD1 4.46Å; L330-L470 HydrophobicContact CD2-CD2 4.24Å; L330-A472 HydrophobicContact CD2-CB 3.63Å
331	L	89.1	Confident	83.8	Confident	7 Å²	7	30.6 Å²	30.6	4%	0.037	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-56.4	-178.5	-61	173.5	0	0	0	109.8	R329 E412 Q413 A414 W415 D416 L471 E473	R329-L331 HydrophobicContact CG-CD2 4.17Å; L331-E412 CarbonylContact C-O 3.54Å; L331-Q413 CarbonylContact O-C 3.48Å; L331-Q413 VanDerWaalsContact O-C 3.24Å; L331-Q413 WeakPolarHBondContact O-CA 3.29Å; L331-A414 PolarHBondContact O-N 3.4Å; L331-W415 PolarHBondContact O-N 3.2Å; L331-D416 PolarHBondContact O-N 3.32Å; L331-L471 HydrophobicContact CB-CB 4.04Å; L331-L471 WeakPolarHBondContact CB-O 3.48Å; L331-L471 HydrophobicContact CD1-CB 4.27Å; L331-L471 PolarHBondContact N-O 3.19Å; L331-E473 HydrophobicContact CD1-CG 4.17Å
332	G	89	Confident	84	Confident	0 Å²	0	33 Å²	33	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.9	177.8	-177.5	0	0	0	0	0	113	G411 E412 L471	G332-G411 CarbonylContact C-O 3.36Å; G332-G411 VanDerWaalsContact CA-O 3.24Å; G332-G411 WeakPolarHBondContact CA-O 3.47Å; G332-E412 WeakPolarHBondContact CA-O 3.35Å; G332-E412 PolarHBondContact N-O 2.74Å; G332-L471 PolarHBondContact O-N 2.88Å
333	C	90.4	Very high	84.3	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153.9	177.9	65.7	0	0	0	0	112.5	V410 G411 W415 L469 L470	C333-V410 WeakPolarHBondContact O-CG2 3.22Å; C333-G411 PolarHBondContact N-O 3.28Å; C333-G411 CarbonylContact O-C 3.54Å; C333-G411 WeakPolarHBondContact O-CA 3.38Å; C333-G411 PolarHBondContact O-N 3.44Å; C333-G411 VanDerWaalsContact O-O 3.13Å; C333-W415 HydrophobicContact CB-CH2 4.23Å; C333-W415 HydrophobicContact CB-CZ3 4.18Å; C333-W415 WeakPolarHBondContact SG-CH2 3.28Å; C333-L469 CarbonylContact C-O 3.58Å; C333-L469 WeakPolarHBondContact CA-O 3.49Å; C333-L469 VanDerWaalsContact CB-O 3.27Å; C333-L469 WeakPolarHBondContact CB-O 3.38Å; C333-L470 HydrophobicContact CB-CD1 4.07Å
334	V	91.1	Very high	84.2	Confident	43 Å²	43	36.7 Å²	36.7	26%	0.261	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	161.5	-178.8	-66.2	0	0	0	0	111.4	L336 E412 G468 L469	V334-L336 VanDerWaalsContact C-N 3.34Å; V334-L336 PolarHBondContact O-N 2.96Å; V334-E412 HydrophobicContact CG1-CG 3.76Å; V334-G468 WeakPolarHBondContact O-CA 3.41Å; V334-L469 HydrophobicContact CG2-CB 3.91Å; V334-L469 HydrophobicContact CG2-CD2 4.38Å; V334-L469 PolarHBondContact N-O 2.83Å; V334-L469 PolarHBondContact O-N 2.86Å
335	G	87.8	Confident	83.6	Confident	49 Å²	49	45.5 Å²	45.5	51%	0.505	26%	0.257	S	S	.	.	S	Bend	trans	68.1	27.3	173.3	0	0	0	0	0	115.3	Q467 G468	G335-Q467 WeakPolarHBondContact O-CG 3.48Å; G335-G468 WeakPolarHBondContact O-CA 3.45Å
336	L	88.9	Confident	82.5	Confident	13 Å²	13	46.8 Å²	46.8	7%	0.068	28%	0.279	C	S	.	.			trans	-67.4	159.8	178.2	-62.7	176	0	0	0	112.5	V334 D338 V391 V410 V433 W435 A443 L464	V334-L336 VanDerWaalsContact C-N 3.34Å; V334-L336 PolarHBondContact O-N 2.96Å; L336-D338 PolarHBondContact O-N 3.1Å; L336-V391 HydrophobicContact CD1-CG1 3.66Å; L336-V410 HydrophobicContact CD1-CG2 4.09Å; L336-V433 HydrophobicContact CD1-CG1 3.88Å; L336-V433 HydrophobicContact CD2-CG1 4.27Å; L336-W435 HydrophobicContact CB-CZ2 3.84Å; L336-W435 HydrophobicContact CD1-CH2 4.39Å; L336-W435 HydrophobicContact CD1-CZ2 4.11Å; L336-A443 HydrophobicContact CD2-CB 3.82Å; L336-L464 HydrophobicContact CD2-CD1 3.72Å
337	L	84.9	Confident	81.1	Confident	23 Å²	23	49.2 Å²	49.2	12%	0.12	30%	0.296	C	S	.	.			trans	-73.1	121.3	-179.4	-167.3	65.7	0	0	0	112.5	V339 W435 P466	L337-V339 WeakPolarHBondContact CD2-O 3.17Å; L337-V339 WeakPolarHBondContact CG-O 3.26Å; L337-W435 PolarHBondContact O-NE1 3.04Å; L337-P466 HydrophobicContact CD2-CG 3.88Å
338	D	78.9	Confident	79.6	Confident	96 Å²	96	55.8 Å²	55.8	51%	0.513	33%	0.327	S	S	.	.	S	Bend	trans	-79.4	-33.3	177.3	-79.9	-42	0	0	0	113.7	L336 R439	L336-D338 PolarHBondContact O-N 3.1Å; D338-R439 WeakPolarHBondContact O-CD 3.41Å; D338-R439 IonicContact OD1-NH1 3.43Å; D338-R439 PolarHBondContact OD1-NH1 3.33Å
339	V	82.1	Confident	78.2	Confident	125 Å²	125	57.6 Å²	57.6	76%	0.758	34%	0.338	S	S	*	.	S	Bend	trans	-113.9	92.1	179.2	-176.8	0	0	0	0	109	L337	L337-V339 WeakPolarHBondContact CD2-O 3.17Å; L337-V339 WeakPolarHBondContact CG-O 3.26Å
340	V	82.4	Confident	77	Confident	7 Å²	7	57.7 Å²	57.7	4%	0.042	35%	0.354	C	S	.	.			trans	-78.8	126.2	-177.9	-178.2	0	0	0	0	110.8	L266 R343 R439 C442	L266-V340 HydrophobicContact CD2-CG1 3.98Å; V340-R343 HydrophobicContact CB-CB 4.41Å; V340-R343 HydrophobicContact CB-CG 3.79Å; V340-R343 HydrophobicContact CG1-CG 3.64Å; V340-R343 WeakPolarHBondContact O-CB 3.38Å; V340-R343 PolarHBondContact O-N 3.08Å; V340-R439 HydrophobicContact CG2-CB 3.93Å; V340-R439 HydrophobicContact CG2-CG 4.46Å; V340-C442 HydrophobicContact CG2-CB 3.7Å
341	P	79.1	Confident	76	Confident	42 Å²	42	61.2 Å²	61.2	27%	0.273	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	148.3	176.4	-24.9	33.9	0	0	0	112.6	D265 C269 R343	D265-P341 HydrophobicContact CB-CB 4.33Å; C269-P341 HydrophobicContact CB-CG 4.06Å; P341-R343 PolarHBondContact O-N 3.43Å; P341-R343 VanDerWaalsContact O-N 3.14Å
342	G	72.6	Confident	75	Confident	59 Å²	59	61.7 Å²	61.7	61%	0.608	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	7.2	-179.9	0	0	0	0	0	115.3
343	R	80.5	Confident	73.4	Confident	46 Å²	46	66.9 Å²	66.9	17%	0.174	41%	0.412	C	S	.	.			trans	-107.6	144	177.9	-55.1	-64.2	164.9	-84.8	-28.4	112.3	Q262 D265 V340 P341 Y438	Q262-R343 VanDerWaalsContact CA-NH2 3.3Å; D265-R343 IonicContact OD2-CZ 3.73Å; D265-R343 IonicContact OD2-NH1 2.89Å; D265-R343 PolarHBondContact OD2-NH1 2.95Å; D265-R343 IonicContact OD2-NH2 2.62Å; D265-R343 PolarHBondContact OD2-NH2 3.21Å; V340-R343 HydrophobicContact CB-CB 4.41Å; V340-R343 HydrophobicContact CB-CG 3.79Å; V340-R343 HydrophobicContact CG1-CG 3.64Å; V340-R343 WeakPolarHBondContact O-CB 3.38Å; V340-R343 PolarHBondContact O-N 3.08Å; P341-R343 PolarHBondContact O-N 3.43Å; P341-R343 VanDerWaalsContact O-N 3.14Å; R343-Y438 HydrophobicContact CB-CD2 4.5Å
344	S	72.3	Confident	71.4	Confident	62 Å²	62	70.8 Å²	70.8	43%	0.434	43%	0.43	S	S	.	.			trans	-139.4	155.6	173.7	81.1	0	0	0	0	110.3	G346 S347 Y438	S344-G346 PolarHBondContact O-N 3.1Å; S344-S347 PolarHBondContact O-N 3.32Å; S344-S347 VanDerWaalsContact O-N 3.08Å; S344-S347 PolarHBondContact OG-OG 3.2Å; S344-Y438 WeakPolarHBondContact O-CD2 3.36Å
345	R	63.6	Low	69.1	Low	202 Å²	202	72.8 Å²	72.8	76%	0.762	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-2.4	179.8	-69	177.1	176.7	175.7	-3.7	114.6	Y438	R345-Y438 HydrophobicContact CG-CD1 4.09Å; R345-Y438 HydrophobicContact CG-CD2 4.22Å; R345-Y438 HydrophobicContact CG-CE1 3.65Å; R345-Y438 HydrophobicContact CG-CE2 3.82Å; R345-Y438 HydrophobicContact CG-CG 4.36Å; R345-Y438 PolarHBondContact NE-OH 3.49Å
346	G	57.3	Low	66.5	Low	71 Å²	71	78.8 Å²	78.8	73%	0.732	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-2.8	175.5	0	0	0	0	0	115	S344	S344-G346 PolarHBondContact O-N 3.1Å
347	S	57.1	Low	63.6	Low	51 Å²	51	83.1 Å²	83.1	36%	0.357	49%	0.487	S	S	.	.			trans	-72.1	128.7	178.3	-64.5	0	0	0	0	110.7	S344 V349	S344-S347 PolarHBondContact O-N 3.32Å; S344-S347 VanDerWaalsContact O-N 3.08Å; S344-S347 PolarHBondContact OG-OG 3.2Å; S347-V349 PolarHBondContact O-N 2.8Å
348	Q	54.8	Low	61	Low	202 Å²	202	89.9 Å²	89.9	94%	0.944	52%	0.523	S	S	*	.			trans	-70.3	126.1	163.5	-70	-173.2	-4.6	0	0	108.5
349	V	60.1	Low	59	Low	39 Å²	39	89.2 Å²	89.2	24%	0.236	54%	0.54	C	S	.	.			trans	-128.5	131.3	178.1	-158.9	0	0	0	0	110.5	S347 S440	S347-V349 PolarHBondContact O-N 2.8Å; V349-S440 VanDerWaalsContact CG1-CB 3.41Å; V349-S440 VanDerWaalsContact CG1-OG 3.3Å; V349-S440 WeakPolarHBondContact CG1-OG 3.38Å
350	A	63.5	Low	56.7	Low	74 Å²	74	94.1 Å²	94.1	61%	0.612	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-79.1	124.1	171.5	0	0	0	0	0	109.1
351	L	70.5	Confident	54.5	Low	73 Å²	73	98.8 Å²	98.8	38%	0.382	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-89.1	146.6	171.8	-66.5	178.2	0	0	0	110.3	W407 R436	L351-W407 HydrophobicContact CB-CZ2 4.38Å; L351-W407 HydrophobicContact CD1-CH2 4.46Å; L351-W407 HydrophobicContact CD1-CZ2 4.35Å; L351-W407 HydrophobicContact CD2-CH2 4.19Å; L351-R436 HydrophobicContact CD1-CG 4.37Å
352	P	67.4	Low	52.3	Low	17 Å²	17	100.8 Å²	100.8	11%	0.11	59%	0.592	C	S	.	*	P	Polyproline II helix	trans	-64.4	138.3	178	25.6	-33.6	0	0	0	111.8	V394 M401 Q404 Y434	P352-V394 HydrophobicContact CB-CG2 3.92Å; P352-V394 HydrophobicContact CG-CG2 3.83Å; P352-M401 HydrophobicContact CB-CE 3.74Å; P352-Q404 PolarHBondContact O-NE2 3.07Å; P352-Q404 PolarHBondContact O-OE1 3.41Å; P352-Y434 HydrophobicContact CG-CD1 4.05Å; P352-Y434 HydrophobicContact CG-CD2 3.89Å; P352-Y434 HydrophobicContact CG-CE1 4.22Å; P352-Y434 HydrophobicContact CG-CE2 4.07Å; P352-Y434 HydrophobicContact CG-CG 3.89Å
353	S	55.5	Low	50.6	Low	109 Å²	109	105.4 Å²	105.4	76%	0.762	60%	0.596	S	S	*	*			trans	-139.7	105.7	179.4	-177.9	0	0	0	0	110.6
354	F	49.2	Very low	48.4	Very low	84 Å²	84	111.3 Å²	111.3	37%	0.368	62%	0.623	S	S	.	*			trans	-93.3	139	177.4	-171.5	-111.7	0	0	0	112.2	Q356 M401 Q404	F354-Q356 HydrophobicContact CD1-CG 4.23Å; F354-Q356 HydrophobicContact CE1-CG 3.61Å; F354-Q356 HydrophobicContact CZ-CG 4.46Å; F354-M401 HydrophobicContact CB-SD 3.9Å; F354-M401 HydrophobicContact CD2-CG 4.08Å; F354-M401 HydrophobicContact CD2-SD 3.78Å; F354-M401 HydrophobicContact CG-SD 4.27Å; F354-Q404 HydrophobicContact CB-CB 3.86Å; F354-Q404 HydrophobicContact CG-CB 4.5Å
355	S	42	Very low	46.9	Very low	84 Å²	84	115.2 Å²	115.2	59%	0.587	64%	0.638	S	S	*	*			trans	-132.7	116.9	175.8	65.6	0	0	0	0	112.1	T357	S355-T357 PolarHBondContact O-N 3Å
356	Q	34.4	Very low	45.3	Very low	176 Å²	176	113.9 Å²	113.9	82%	0.822	64%	0.644	S	S	*	*			trans	-77.5	78.6	177.9	-70.3	-178	-11.7	0	0	112.5	F354	F354-Q356 HydrophobicContact CD1-CG 4.23Å; F354-Q356 HydrophobicContact CE1-CG 3.61Å; F354-Q356 HydrophobicContact CZ-CG 4.46Å
357	T	28.4	Very low	44.2	Very low	104 Å²	104	112.7 Å²	112.7	64%	0.638	63%	0.632	S	S	*	*	S	Bend	trans	-146.7	111.6	163.1	57	0	0	0	0	111.2	S355	S355-T357 PolarHBondContact O-N 3Å
358	D	30	Very low	43.3	Very low	164 Å²	164	117.2 Å²	117.2	88%	0.877	65%	0.652	S	S	*	*	S	Bend	trans	48.7	136.4	169.9	-68.1	-22	0	0	0	119.9	R360	D358-R360 PolarHBondContact O-N 2.97Å
359	G	35.7	Very low	42.4	Very low	83 Å²	83	118 Å²	118	86%	0.856	65%	0.648	S	S	*	*	S	Bend	trans	-59	93.2	-172.8	0	0	0	0	0	115.1
360	R	34.3	Very low	40.9	Very low	227 Å²	227	122 Å²	122	86%	0.857	68%	0.677	S	S	*	*			trans	-163.8	108.3	153	-102.1	161	-166.3	-162.2	2.6	108	D358 S362	D358-R360 PolarHBondContact O-N 2.97Å; R360-S362 PolarHBondContact O-N 3.36Å; R360-S362 VanDerWaalsContact O-N 3.09Å
361	S	35.7	Very low	39.5	Very low	106 Å²	106	129.5 Å²	129.5	74%	0.741	69%	0.69	S	S	*	*			trans	-59.1	114.9	172.6	51.6	0	0	0	0	109.7
362	S	32.9	Very low	37.6	Very low	83 Å²	83	131.2 Å²	131.2	58%	0.58	71%	0.708	S	S	*	*			trans	-147.6	113.2	176.2	-73.1	0	0	0	0	108.7	R360 K364	R360-S362 PolarHBondContact O-N 3.36Å; R360-S362 VanDerWaalsContact O-N 3.09Å; S362-K364 VanDerWaalsContact C-N 3.32Å; S362-K364 PolarHBondContact O-N 2.86Å
363	F	36.9	Very low	35.7	Very low	157 Å²	157	137.1 Å²	137.1	69%	0.689	74%	0.743	S	S	*	*			trans	-59.7	95.7	165	-77.7	-92.2	0	0	0	108.7	L365	F363-L365 PolarHBondContact O-N 3.1Å; F363-L365 VanDerWaalsContact O-N 3.12Å
364	K	35.7	Very low	34.5	Very low	169 Å²	169	137.4 Å²	137.4	74%	0.735	75%	0.745	S	S	*	*			trans	-77	97.6	171.4	-79	-178.5	-179.3	168.1	0	108.9	S362 I366	S362-K364 VanDerWaalsContact C-N 3.32Å; S362-K364 PolarHBondContact O-N 2.86Å; K364-I366 PolarHBondContact O-N 3.49Å
365	L	39.1	Very low	33.4	Very low	144 Å²	144	138.3 Å²	138.3	75%	0.754	76%	0.762	S	S	*	*			trans	-53.5	110.1	157.2	-104.3	163.6	0	0	0	108.8	A251 F363 G367	A251-L365 HydrophobicContact CB-CD1 4.45Å; F363-L365 PolarHBondContact O-N 3.1Å; F363-L365 VanDerWaalsContact O-N 3.12Å; L365-G367 VanDerWaalsContact C-N 3.26Å; L365-G367 PolarHBondContact O-N 3.47Å
366	I	30.9	Very low	32.9	Very low	174 Å²	174	143.2 Å²	143.2	89%	0.892	78%	0.778	S	S	*	*			trans	-75.7	89.4	162.8	-62.8	180	0	0	0	106.5	K364	K364-I366 PolarHBondContact O-N 3.49Å
367	G	35	Very low	32.7	Very low	46 Å²	46	139 Å²	139	47%	0.474	77%	0.768	S	S	.	*			trans	-161.1	110.8	-179.9	0	0	0	0	0	110.5	L365	L365-G367 VanDerWaalsContact C-N 3.26Å; L365-G367 PolarHBondContact O-N 3.47Å
368	L	37.7	Very low	33.1	Very low	146 Å²	146	142.5 Å²	142.5	76%	0.764	78%	0.782	S	S	*	*	S	Bend	trans	81.3	142.8	-177.7	-46.9	167.9	0	0	0	114.7
369	Y	36.4	Very low	33.2	Very low	220 Å²	220	143.2 Å²	143.2	86%	0.863	78%	0.777	S	S	*	*			trans	61.4	67.7	177.3	-3.8	-80.6	0	0	0	118.7
370	S	28	Very low	33.2	Very low	122 Å²	122	147.4 Å²	147.4	85%	0.853	78%	0.779	S	S	*	*			trans	-150.5	143.4	136.7	-165.3	0	0	0	0	111.4
371	R	33.6	Very low	33.3	Very low	232 Å²	232	140 Å²	140	88%	0.875	76%	0.76	S	S	*	*			trans	-99.2	129.2	-179.4	-68.4	172.1	78	171.7	3.6	109.7
372	S	30.2	Very low	33.4	Very low	109 Å²	109	138.2 Å²	138.2	76%	0.762	76%	0.759	S	S	*	*			trans	63.3	90.4	157.7	-52.3	0	0	0	0	117.9
373	T	28.7	Very low	33.7	Very low	140 Å²	140	144.3 Å²	144.3	86%	0.859	78%	0.775	S	S	*	*	S	Bend		-167.8	137.1	117	18.2	0	0	0	0	110.5
374	S	29.7	Very low	34.3	Very low	115 Å²	115	144.3 Å²	144.3	80%	0.804	78%	0.782	S	S	*	*			trans	45.6	75.3	160.5	-51.3	0	0	0	0	118.4	M376	S374-M376 PolarHBondContact O-N 3.41Å
375	S	26.5	Very low	35.1	Very low	104 Å²	104	142 Å²	142	73%	0.727	78%	0.778	S	S	*	*			trans	-67.5	109	171.8	55.2	0	0	0	0	113.1
376	M	31	Very low	36.1	Very low	187 Å²	187	144 Å²	144	92%	0.921	78%	0.784	S	S	*	*			trans	-100.2	71.5	157	-72.8	-63.6	169.7	0	0	109.5	S374	S374-M376 PolarHBondContact O-N 3.41Å
377	S	31.1	Very low	38.1	Very low	87 Å²	87	139.5 Å²	139.5	61%	0.608	76%	0.761	S	S	*	*			trans	-69.9	127.4	164	46.1	0	0	0	0	108.9	K379	S377-K379 VanDerWaalsContact C-N 3.29Å; S377-K379 PolarHBondContact O-N 3.4Å
378	L	36.2	Very low	40.2	Very low	177 Å²	177	138.6 Å²	138.6	93%	0.927	75%	0.747	S	S	*	*			trans	-64.3	95.6	165	-77.3	165.9	0	0	0	107.9
379	K	32.2	Very low	42.4	Very low	180 Å²	180	135 Å²	135	78%	0.783	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-60	149	162.9	-75.7	-179	175.9	177.2	0	108.3	S377 P381	S377-K379 VanDerWaalsContact C-N 3.29Å; S377-K379 PolarHBondContact O-N 3.4Å; K379-P381 WeakPolarHBondContact O-CD 3.43Å
380	L	36.2	Very low	44.9	Very low	170 Å²	170	127.3 Å²	127.3	89%	0.89	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-50	125.3	166.9	-124.1	77.5	0	0	0	109.4
381	P	35.3	Very low	48	Very low	72 Å²	72	121.5 Å²	121.5	47%	0.468	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-69.7	137.3	170.7	-10.5	24.9	0	0	0	110.2	K379 K383 D385	K379-P381 WeakPolarHBondContact O-CD 3.43Å; P381-K383 PolarHBondContact O-N 3.22Å; P381-D385 HydrophobicContact CB-CB 3.87Å; P381-D385 WeakPolarHBondContact CB-OD1 3.31Å; P381-D385 WeakPolarHBondContact CB-OD2 3.29Å; P381-D385 HydrophobicContact CG-CB 4.45Å; P381-D385 WeakPolarHBondContact CG-OD2 3.44Å
382	G	38.4	Very low	50.8	Low	69 Å²	69	110.4 Å²	110.4	71%	0.711	62%	0.624	S	S	*	*			trans	-84	96.6	-173.3	0	0	0	0	0	112.8	N384	G382-N384 PolarHBondContact O-N 3.01Å
383	K	39.7	Very low	53.8	Low	211 Å²	211	105.2 Å²	105.2	92%	0.917	59%	0.587	S	S	*	*	S	Bend	trans	55.4	-14.7	161.7	-84.2	-171.7	173	-176.3	0	120.4	P381	P381-K383 PolarHBondContact O-N 3.22Å
384	N	49.4	Very low	56.8	Low	157 Å²	157	98.6 Å²	98.6	84%	0.84	55%	0.547	S	S	*	.			trans	-130.1	66.1	176.6	-82	4.1	0	0	0	109.8	G382	G382-N384 PolarHBondContact O-N 3.01Å
385	D	51.9	Low	59.7	Low	119 Å²	119	93.1 Å²	93.1	64%	0.636	51%	0.508	S	S	*	.			trans	-108.2	126.2	176.3	-117.5	47.4	0	0	0	110.9	P381	P381-D385 HydrophobicContact CB-CB 3.87Å; P381-D385 WeakPolarHBondContact CB-OD1 3.31Å; P381-D385 WeakPolarHBondContact CB-OD2 3.29Å; P381-D385 HydrophobicContact CG-CB 4.45Å; P381-D385 WeakPolarHBondContact CG-OD2 3.44Å
386	E	59.9	Low	62.7	Low	188 Å²	188	88.4 Å²	88.4	88%	0.879	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-69.5	148.7	175.2	-67.3	177.3	126.7	0	0	110.5	S388	E386-S388 PolarHBondContact O-N 2.72Å
387	L	72.9	Confident	65.2	Low	78 Å²	78	80 Å²	80	41%	0.408	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-60.4	136.4	171.8	-68.3	170.8	0	0	0	109	S389 Y438	L387-S389 PolarHBondContact O-N 2.91Å; L387-Y438 HydrophobicContact CD2-CE1 3.82Å
388	S	78.7	Confident	67.1	Low	28 Å²	28	82.1 Å²	82.1	20%	0.196	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-71.3	124.6	-179.8	-170.6	0	0	0	0	109.9	E386 E390 W435 D437 R439	E386-S388 PolarHBondContact O-N 2.72Å; S388-E390 PolarHBondContact O-N 3.41Å; S388-E390 PolarHBondContact OG-N 3.33Å; S388-W435 WeakPolarHBondContact O-CZ3 3.41Å; S388-D437 PolarHBondContact N-OD2 3.44Å; S388-R439 PolarHBondContact O-NH2 3.47Å
389	S	84.3	Confident	68.9	Low	71 Å²	71	77.2 Å²	77.2	50%	0.497	41%	0.408	S	S	.	.			trans	-78.7	0.9	171.1	-54.4	0	0	0	0	112.9	L387 T409 V410	L387-S389 PolarHBondContact O-N 2.91Å; S389-T409 VanDerWaalsContact O-CA 3.32Å; S389-T409 WeakPolarHBondContact O-CA 3.33Å; S389-V410 PolarHBondContact O-N 2.89Å
390	E	89.6	Confident	71.2	Confident	57 Å²	57	71.9 Å²	71.9	27%	0.266	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	136.3	-177.8	-66	-173.5	169.1	0	0	113.6	S388 R408 R436	S388-E390 PolarHBondContact O-N 3.41Å; S388-E390 PolarHBondContact OG-N 3.33Å; E390-R408 CarbonylContact C-O 3.24Å; E390-R408 VanDerWaalsContact CA-O 3.31Å; E390-R408 WeakPolarHBondContact CA-O 3.36Å; E390-R436 HydrophobicContact CB-CB 4.1Å; E390-R436 PolarHBondContact O-N 3.14Å; E390-R436 IonicContact OE1-NH1 3.95Å; E390-R436 WeakPolarHBondContact OE2-CD 3.32Å; E390-R436 IonicContact OE2-CZ 2.67Å; E390-R436 IonicContact OE2-NE 3.83Å; E390-R436 IonicContact OE2-NH1 2.66Å; E390-R436 PolarHBondContact OE2-NH1 3.38Å
391	V	91.9	Very high	73.5	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	152.2	-179.7	-70.7	0	0	0	0	112.4	L336 W407 R408 V410 W415 V433 Y434 W435	L336-V391 HydrophobicContact CD1-CG1 3.66Å; V391-W407 WeakPolarHBondContact O-CA 3.13Å; V391-R408 WeakPolarHBondContact CG2-O 3.17Å; V391-R408 PolarHBondContact N-O 2.93Å; V391-R408 PolarHBondContact O-N 3.46Å; V391-V410 HydrophobicContact CG2-CB 4.12Å; V391-W415 HydrophobicContact CB-CZ2 4.06Å; V391-W415 HydrophobicContact CG2-CH2 4.25Å; V391-W415 HydrophobicContact CG2-CZ2 3.61Å; V391-W415 PolarHBondContact O-NE1 3.09Å; V391-V433 HydrophobicContact CB-CG1 4.35Å; V391-Y434 VanDerWaalsContact CA-O 3.25Å; V391-Y434 WeakPolarHBondContact CA-O 3.39Å; V391-W435 HydrophobicContact CG1-CD2 3.9Å; V391-W435 HydrophobicContact CG1-CE3 3.35Å; V391-W435 HydrophobicContact CG1-CH2 4.1Å; V391-W435 HydrophobicContact CG1-CZ3 3.46Å; V391-W435 VanDerWaalsContact CG1-CZ3 3.46Å
392	S	92.9	Very high	75.9	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.1	171.5	175.7	0	0	0	0	108.9	Q404 T405 W407 Y434	S392-Q404 WeakPolarHBondContact OG-CG 3.17Å; S392-Q404 PolarHBondContact OG-NE2 2.96Å; S392-T405 PolarHBondContact OG-O 3.45Å; S392-W407 VanDerWaalsContact CB-CE3 3.49Å; S392-Y434 PolarHBondContact N-O 2.65Å; S392-Y434 PolarHBondContact O-N 3.04Å
393	A	93	Very high	78.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	139.2	175	0	0	0	0	0	109.8	L330 Q404 T405 W415 A432 V433	L330-A393 HydrophobicContact CD1-CB 3.61Å; A393-Q404 CarbonylContact O-C 3.47Å; A393-Q404 WeakPolarHBondContact O-CA 3.06Å; A393-T405 HydrophobicContact CB-CG2 4.08Å; A393-T405 PolarHBondContact N-OG1 3.2Å; A393-T405 PolarHBondContact O-N 2.88Å; A393-T405 PolarHBondContact O-OG1 2.8Å; A393-W415 HydrophobicContact CB-CH2 3.68Å; A393-W415 HydrophobicContact CB-CZ2 3.99Å; A393-W415 HydrophobicContact CB-CZ3 4.01Å; A393-A432 CarbonylContact C-O 3.59Å; A393-A432 WeakPolarHBondContact CA-O 3.39Å; A393-V433 HydrophobicContact CB-CG2 4.37Å
394	V	92	Very high	80.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129.6	-177.5	178.5	0	0	0	0	108.3	P352 K396 M401 G403 Q404 I431 A432 Y434	P352-V394 HydrophobicContact CB-CG2 3.92Å; P352-V394 HydrophobicContact CG-CG2 3.83Å; V394-K396 HydrophobicContact CG1-CG 4.04Å; V394-M401 HydrophobicContact CG1-CE 3.8Å; V394-M401 HydrophobicContact CG1-CG 3.75Å; V394-M401 HydrophobicContact CG1-SD 4.15Å; V394-G403 WeakPolarHBondContact CA-O 3.07Å; V394-Q404 HydrophobicContact CG2-CB 4.46Å; V394-Q404 HydrophobicContact CG2-CG 4.1Å; V394-I431 WeakPolarHBondContact O-CA 3.21Å; V394-A432 PolarHBondContact N-O 3.13Å; V394-A432 PolarHBondContact O-N 3.08Å; V394-Y434 HydrophobicContact CB-CE2 4.02Å; V394-Y434 HydrophobicContact CG2-CD2 3.83Å; V394-Y434 HydrophobicContact CG2-CE2 3.64Å
395	L	91.6	Very high	82.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130	171.1	-71.9	69.9	0	0	0	108.2	V328 L330 V402 G403 F419 M429	V328-L395 HydrophobicContact CB-CD2 3.91Å; V328-L395 HydrophobicContact CG1-CD2 3.93Å; V328-L395 HydrophobicContact CG2-CD2 4.19Å; L330-L395 HydrophobicContact CD1-CD1 3.69Å; L330-L395 HydrophobicContact CG-CD1 4.4Å; L395-V402 HydrophobicContact CB-CG2 3.74Å; L395-V402 WeakPolarHBondContact O-CG2 3.39Å; L395-V402 PolarHBondContact O-N 2.98Å; L395-G403 PolarHBondContact N-O 3.47Å; L395-G403 PolarHBondContact O-N 3.41Å; L395-F419 HydrophobicContact CD1-CD2 3.62Å; L395-F419 HydrophobicContact CD1-CE2 3.39Å; L395-F419 HydrophobicContact CD1-CG 4.31Å; L395-F419 HydrophobicContact CD1-CZ 3.9Å; L395-F419 HydrophobicContact CD2-CB 4.07Å; L395-F419 HydrophobicContact CD2-CD2 3.71Å; L395-F419 HydrophobicContact CD2-CE2 4.37Å; L395-F419 HydrophobicContact CD2-CG 3.96Å; L395-F419 HydrophobicContact CG-CD2 4.35Å; L395-M429 HydrophobicContact CD2-SD 4.08Å; L395-M429 HydrophobicContact CG-SD 4.49Å
396	K	88.7	Confident	84.5	Confident	6 Å²	6	42 Å²	42	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.2	172.4	-57.6	-177.5	175.4	-171.2	0	110.9	E259 V394 T400 E430	E259-K396 IonicContact OE2-NZ 2.63Å; E259-K396 PolarHBondContact OE2-NZ 2.89Å; V394-K396 HydrophobicContact CG1-CG 4.04Å; K396-T400 CarbonylContact C-O 3.36Å; K396-T400 WeakPolarHBondContact CA-O 3.49Å; K396-E430 HydrophobicContact CB-CB 4.22Å; K396-E430 PolarHBondContact N-O 3.1Å; K396-E430 PolarHBondContact O-N 3.31Å
397	L	83.3	Confident	85.9	Confident	11 Å²	11	35.4 Å²	35.4	6%	0.058	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.7	165.5	-72	177.3	0	0	0	107.6	N399 T400 V402 V421 L423 M429 L449	L397-N399 PolarHBondContact O-N 3.47Å; L397-T400 PolarHBondContact N-O 3.46Å; L397-T400 WeakPolarHBondContact O-CA 3.39Å; L397-T400 WeakPolarHBondContact O-CB 3.4Å; L397-T400 PolarHBondContact O-N 3.34Å; L397-V402 HydrophobicContact CB-CG1 4.15Å; L397-V402 HydrophobicContact CD1-CG1 4.16Å; L397-V402 HydrophobicContact CG-CG1 4.22Å; L397-V402 HydrophobicContact CG-CG2 4.3Å; L397-V421 HydrophobicContact CD1-CG1 3.48Å; L397-V421 VanDerWaalsContact CD1-CG1 3.48Å; L397-V421 HydrophobicContact CG-CG1 4.47Å; L397-L423 HydrophobicContact CD1-CD2 3.46Å; L397-L423 VanDerWaalsContact CD1-CD2 3.46Å; L397-L423 HydrophobicContact CD2-CD2 4.06Å; L397-L423 HydrophobicContact CG-CD2 4.44Å; L397-M429 HydrophobicContact CD2-CB 3.68Å; L397-M429 HydrophobicContact CD2-CG 3.84Å; L397-L449 HydrophobicContact CD2-CD1 4.34Å
398	E	71.9	Confident	86.8	Confident	130 Å²	130	37.7 Å²	37.7	61%	0.607	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	44.4	177.1	-54.1	-171.9	169.4	0	0	112.5	T400	E398-T400 PolarHBondContact O-N 3.05Å
399	N	73.8	Confident	87.2	Confident	74 Å²	74	40.6 Å²	40.6	40%	0.396	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	4.8	-174	-158.7	26.3	0	0	0	115.7	R263 L397	R263-N399 PolarHBondContact NH1-OD1 3.43Å; R263-N399 PolarHBondContact NH2-OD1 3.23Å; L397-N399 PolarHBondContact O-N 3.47Å
400	T	80.4	Confident	87.5	Confident	69 Å²	69	39.7 Å²	39.7	42%	0.423	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.4	174.7	-59.1	0	0	0	0	111	K396 L397 E398 V402	K396-T400 CarbonylContact C-O 3.36Å; K396-T400 WeakPolarHBondContact CA-O 3.49Å; L397-T400 PolarHBondContact N-O 3.46Å; L397-T400 WeakPolarHBondContact O-CA 3.39Å; L397-T400 WeakPolarHBondContact O-CB 3.4Å; L397-T400 PolarHBondContact O-N 3.34Å; E398-T400 PolarHBondContact O-N 3.05Å; T400-V402 PolarHBondContact O-N 3Å
401	M	83.2	Confident	87.4	Confident	41 Å²	41	38 Å²	38	20%	0.202	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	121.3	178.5	-176.1	-175.8	-60.2	0	0	111.7	P352 F354 V394	P352-M401 HydrophobicContact CB-CE 3.74Å; F354-M401 HydrophobicContact CB-SD 3.9Å; F354-M401 HydrophobicContact CD2-CG 4.08Å; F354-M401 HydrophobicContact CD2-SD 3.78Å; F354-M401 HydrophobicContact CG-SD 4.27Å; V394-M401 HydrophobicContact CG1-CE 3.8Å; V394-M401 HydrophobicContact CG1-CG 3.75Å; V394-M401 HydrophobicContact CG1-SD 4.15Å
402	V	86.8	Confident	87	Confident	47 Å²	47	44 Å²	44	29%	0.285	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-18.6	179.3	-63.4	0	0	0	0	113.5	L395 L397 T400 V421	L395-V402 HydrophobicContact CB-CG2 3.74Å; L395-V402 WeakPolarHBondContact O-CG2 3.39Å; L395-V402 PolarHBondContact O-N 2.98Å; L397-V402 HydrophobicContact CB-CG1 4.15Å; L397-V402 HydrophobicContact CD1-CG1 4.16Å; L397-V402 HydrophobicContact CG-CG1 4.22Å; L397-V402 HydrophobicContact CG-CG2 4.3Å; T400-V402 PolarHBondContact O-N 3Å; V402-V421 HydrophobicContact CB-CG1 4.06Å; V402-V421 HydrophobicContact CG1-CG1 4.24Å; V402-V421 HydrophobicContact CG2-CG1 4.02Å; V402-V421 HydrophobicContact CG2-CG2 4.14Å
403	G	87.2	Confident	86.6	Confident	2 Å²	2	49.6 Å²	49.6	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	158.4	175.7	0	0	0	0	0	113.3	V394 L395	V394-G403 WeakPolarHBondContact CA-O 3.07Å; L395-G403 PolarHBondContact N-O 3.47Å; L395-G403 PolarHBondContact O-N 3.41Å
404	Q	91.3	Very high	86.2	Confident	30 Å²	30	50.3 Å²	50.3	14%	0.14	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	134.3	176.7	179	176.3	14.1	0	0	110	P352 F354 S392 A393 V394	P352-Q404 PolarHBondContact O-NE2 3.07Å; P352-Q404 PolarHBondContact O-OE1 3.41Å; F354-Q404 HydrophobicContact CB-CB 3.86Å; F354-Q404 HydrophobicContact CG-CB 4.5Å; S392-Q404 WeakPolarHBondContact OG-CG 3.17Å; S392-Q404 PolarHBondContact OG-NE2 2.96Å; A393-Q404 CarbonylContact O-C 3.47Å; A393-Q404 WeakPolarHBondContact O-CA 3.06Å; V394-Q404 HydrophobicContact CG2-CB 4.46Å; V394-Q404 HydrophobicContact CG2-CG 4.1Å
405	T	92.1	Very high	86	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.018	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-80.8	152.3	174.3	68	0	0	0	0	111.2	L330 S392 A393 W415 H417 F419	L330-T405 HydrophobicContact CB-CG2 4.34Å; L330-T405 HydrophobicContact CD1-CG2 3.98Å; S392-T405 PolarHBondContact OG-O 3.45Å; A393-T405 HydrophobicContact CB-CG2 4.08Å; A393-T405 PolarHBondContact N-OG1 3.2Å; A393-T405 PolarHBondContact O-N 2.88Å; A393-T405 PolarHBondContact O-OG1 2.8Å; T405-W415 HydrophobicContact CG2-CB 4.28Å; T405-W415 HydrophobicContact CG2-CD2 4.12Å; T405-W415 HydrophobicContact CG2-CG 3.99Å; T405-W415 VanDerWaalsContact OG1-CD1 3.3Å; T405-W415 VanDerWaalsContact OG1-CE2 3.25Å; T405-W415 PolarHBondContact OG1-NE1 3.27Å; T405-H417 HydrophobicContact CG2-CB 4.27Å; T405-F419 HydrophobicContact CG2-CE2 3.74Å; T405-F419 HydrophobicContact CG2-CZ 3.61Å
406	P	89.3	Confident	85.8	Confident	47 Å²	47	54.9 Å²	54.9	31%	0.305	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-62.3	149.7	172.7	27.6	-35.9	0	0	0	111.6	R408 W415	P406-R408 HydrophobicContact CG-CG 4.4Å; P406-R408 PolarHBondContact O-N 3.43Å; P406-W415 PolarHBondContact O-NE1 2.86Å
407	W	89.5	Confident	85.8	Confident	50 Å²	50	57.9 Å²	57.9	19%	0.189	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-60.4	125.6	171.6	-62.5	97.4	0	0	0	110.7	L351 V391 S392 Y434 R436	L351-W407 HydrophobicContact CB-CZ2 4.38Å; L351-W407 HydrophobicContact CD1-CH2 4.46Å; L351-W407 HydrophobicContact CD1-CZ2 4.35Å; L351-W407 HydrophobicContact CD2-CH2 4.19Å; V391-W407 WeakPolarHBondContact O-CA 3.13Å; S392-W407 VanDerWaalsContact CB-CE3 3.49Å; W407-Y434 WeakPolarHBondContact CZ3-O 3.5Å; W407-R436 HydrophobicContact CD2-CB 4.18Å; W407-R436 HydrophobicContact CD2-CG 3.84Å; W407-R436 HydrophobicContact CE3-CB 3.52Å; W407-R436 HydrophobicContact CE3-CG 3.71Å; W407-R436 HydrophobicContact CG-CG 4.42Å; W407-R436 HydrophobicContact CH2-CB 4.31Å; W407-R436 HydrophobicContact CH2-CG 4.35Å; W407-R436 HydrophobicContact CZ2-CG 4.47Å; W407-R436 HydrophobicContact CZ3-CB 3.59Å; W407-R436 HydrophobicContact CZ3-CG 3.98Å
408	R	90.4	Very high	86	Confident	126 Å²	126	60.3 Å²	60.3	48%	0.475	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	150.5	-173.7	-72.4	-72.3	-179	-88.4	4.8	110.7	E390 V391 P406 A414	E390-R408 CarbonylContact C-O 3.24Å; E390-R408 VanDerWaalsContact CA-O 3.31Å; E390-R408 WeakPolarHBondContact CA-O 3.36Å; V391-R408 WeakPolarHBondContact CG2-O 3.17Å; V391-R408 PolarHBondContact N-O 2.93Å; V391-R408 PolarHBondContact O-N 3.46Å; P406-R408 HydrophobicContact CG-CG 4.4Å; P406-R408 PolarHBondContact O-N 3.43Å; R408-A414 HydrophobicContact CB-CB 4.32Å; R408-A414 WeakPolarHBondContact CB-O 3.47Å; R408-A414 WeakPolarHBondContact CD-O 3.41Å; R408-A414 WeakPolarHBondContact CG-O 3.25Å
409	T	88.8	Confident	86.9	Confident	89 Å²	89	55.1 Å²	55.1	55%	0.546	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	136.8	174.5	-48.7	0	0	0	0	111	S389 A414	S389-T409 VanDerWaalsContact O-CA 3.32Å; S389-T409 WeakPolarHBondContact O-CA 3.33Å; T409-A414 VanDerWaalsContact O-CB 3.29Å; T409-A414 WeakPolarHBondContact O-CB 3.43Å
410	V	89.7	Confident	87.5	Confident	51 Å²	51	56.1 Å²	56.1	31%	0.309	30%	0.298	S	S	.	.	S	Bend	trans	-55.6	139.7	177.1	68	0	0	0	0	111.8	C333 L336 S389 V391 W435	C333-V410 WeakPolarHBondContact O-CG2 3.22Å; L336-V410 HydrophobicContact CD1-CG2 4.09Å; S389-V410 PolarHBondContact O-N 2.89Å; V391-V410 HydrophobicContact CG2-CB 4.12Å; V410-W435 HydrophobicContact CB-CH2 4.37Å; V410-W435 HydrophobicContact CG1-CH2 4.27Å
411	G	87	Confident	87.7	Confident	21 Å²	21	53.3 Å²	53.3	22%	0.216	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	161.5	162	-172.6	0	0	0	0	0	113	G332 C333 Q413 A414	G332-G411 CarbonylContact C-O 3.36Å; G332-G411 VanDerWaalsContact CA-O 3.24Å; G332-G411 WeakPolarHBondContact CA-O 3.47Å; C333-G411 PolarHBondContact N-O 3.28Å; C333-G411 CarbonylContact O-C 3.54Å; C333-G411 WeakPolarHBondContact O-CA 3.38Å; C333-G411 PolarHBondContact O-N 3.44Å; C333-G411 VanDerWaalsContact O-O 3.13Å; G411-Q413 PolarHBondContact O-N 2.99Å; G411-A414 WeakPolarHBondContact O-CB 3.46Å; G411-A414 PolarHBondContact O-N 2.77Å
412	E	83.2	Confident	87.6	Confident	126 Å²	126	59.3 Å²	59.3	59%	0.589	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.6	-173.9	-63.1	-178	169.6	0	0	114.5	L331 G332 V334 L471	L331-E412 CarbonylContact C-O 3.54Å; G332-E412 WeakPolarHBondContact CA-O 3.35Å; G332-E412 PolarHBondContact N-O 2.74Å; V334-E412 HydrophobicContact CG1-CG 3.76Å; E412-L471 HydrophobicContact CB-CD1 3.89Å; E412-L471 HydrophobicContact CG-CD1 4.28Å
413	Q	85.7	Confident	87.3	Confident	119 Å²	119	57.4 Å²	57.4	56%	0.556	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	41.6	178.8	-63.7	-65.1	-25.4	0	0	110.8	L331 G411 W415	L331-Q413 CarbonylContact O-C 3.48Å; L331-Q413 VanDerWaalsContact O-C 3.24Å; L331-Q413 WeakPolarHBondContact O-CA 3.29Å; G411-Q413 PolarHBondContact O-N 2.99Å; Q413-W415 PolarHBondContact O-N 3.48Å
414	A	84.4	Confident	86.7	Confident	15 Å²	15	64.9 Å²	64.9	12%	0.124	33%	0.331	C	S	.	.	S	Bend	trans	-62.5	-36.6	-174.7	0	0	0	0	0	114.2	L331 R408 T409 G411	L331-A414 PolarHBondContact O-N 3.4Å; R408-A414 HydrophobicContact CB-CB 4.32Å; R408-A414 WeakPolarHBondContact CB-O 3.47Å; R408-A414 WeakPolarHBondContact CD-O 3.41Å; R408-A414 WeakPolarHBondContact CG-O 3.25Å; T409-A414 VanDerWaalsContact O-CB 3.29Å; T409-A414 WeakPolarHBondContact O-CB 3.43Å; G411-A414 WeakPolarHBondContact O-CB 3.46Å; G411-A414 PolarHBondContact O-N 2.77Å
415	W	87.4	Confident	85.8	Confident	17 Å²	17	68 Å²	68	6%	0.064	34%	0.342	C	S	.	.			trans	-119	-41.2	-168.7	-59.2	-64	0	0	0	114.8	L330 L331 C333 V391 A393 T405 P406 Q413 H417 V433 L470	L330-W415 HydrophobicContact CB-CE3 4.29Å; L331-W415 PolarHBondContact O-N 3.2Å; C333-W415 HydrophobicContact CB-CH2 4.23Å; C333-W415 HydrophobicContact CB-CZ3 4.18Å; C333-W415 WeakPolarHBondContact SG-CH2 3.28Å; V391-W415 HydrophobicContact CB-CZ2 4.06Å; V391-W415 HydrophobicContact CG2-CH2 4.25Å; V391-W415 HydrophobicContact CG2-CZ2 3.61Å; V391-W415 PolarHBondContact O-NE1 3.09Å; A393-W415 HydrophobicContact CB-CH2 3.68Å; A393-W415 HydrophobicContact CB-CZ2 3.99Å; A393-W415 HydrophobicContact CB-CZ3 4.01Å; T405-W415 HydrophobicContact CG2-CB 4.28Å; T405-W415 HydrophobicContact CG2-CD2 4.12Å; T405-W415 HydrophobicContact CG2-CG 3.99Å; T405-W415 VanDerWaalsContact OG1-CD1 3.3Å; T405-W415 VanDerWaalsContact OG1-CE2 3.25Å; T405-W415 PolarHBondContact OG1-NE1 3.27Å; P406-W415 PolarHBondContact O-NE1 2.86Å; Q413-W415 PolarHBondContact O-N 3.48Å; W415-H417 VanDerWaalsContact C-N 3.28Å; W415-H417 HydrophobicContact CB-CB 4.11Å; W415-H417 PolarHBondContact O-N 3.45Å; W415-V433 HydrophobicContact CH2-CG1 4.48Å; W415-L470 HydrophobicContact CZ3-CD1 3.89Å
416	D	87.6	Confident	85.1	Confident	78 Å²	78	68.2 Å²	68.2	42%	0.417	34%	0.343	S	S	.	.			trans	37	55.5	-165.8	-166.2	13.8	0	0	0	113.7	R329 L330 L331	R329-D416 IonicContact CZ-OD1 2.66Å; R329-D416 IonicContact CZ-OD2 3.11Å; R329-D416 IonicContact NE-OD1 3.72Å; R329-D416 PolarHBondContact NE-OD1 3.45Å; R329-D416 VanDerWaalsContact NH2-CG 3.26Å; R329-D416 IonicContact NH2-OD1 3.62Å; R329-D416 PolarHBondContact NH2-OD1 3.21Å; R329-D416 IonicContact NH2-OD2 2.79Å; R329-D416 PolarHBondContact NH2-OD2 2.85Å; L330-D416 WeakPolarHBondContact O-CA 3.32Å; L330-D416 PolarHBondContact O-N 2.75Å; L331-D416 PolarHBondContact O-N 3.32Å
417	H	88.3	Confident	84.6	Confident	70 Å²	70	69.5 Å²	69.5	32%	0.324	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.1	-168.1	-158.8	79.3	0	0	0	112.4	R329 L330 T405 W415 F419	R329-H417 CarbonylContact C-O 3.59Å; R329-H417 WeakPolarHBondContact CA-O 3.21Å; L330-H417 PolarHBondContact N-O 3.3Å; L330-H417 PolarHBondContact O-N 3.28Å; T405-H417 HydrophobicContact CG2-CB 4.27Å; W415-H417 VanDerWaalsContact C-N 3.28Å; W415-H417 HydrophobicContact CB-CB 4.11Å; W415-H417 PolarHBondContact O-N 3.45Å; H417-F419 AromaticContact CD2-CE1 3.59Å; H417-F419 AromaticContact CD2-CE2 3.87Å; H417-F419 AromaticContact CD2-CZ 3.45Å; H417-F419 VanDerWaalsContact CD2-CZ 3.45Å; H417-F419 WeakPolarHBondContact CD2-CZ 3.38Å; H417-F419 AromaticContact NE2-CE1 3.97Å
418	T	88.8	Confident	84.4	Confident	62 Å²	62	69.6 Å²	69.6	38%	0.38	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.2	-177.9	-55.2	0	0	0	0	111.7	Q327 V328 R329	Q327-T418 HydrophobicContact CG-CG2 3.53Å; V328-T418 WeakPolarHBondContact O-CA 3.3Å; R329-T418 HydrophobicContact CB-CG2 4.39Å; R329-T418 WeakPolarHBondContact CG-OG1 3.41Å
419	F	89.1	Confident	84.4	Confident	20 Å²	20	63.6 Å²	63.6	9%	0.088	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	141.8	170.4	-55.3	-81.9	0	0	0	109.9	Q327 V328 L330 L395 T405 H417 V421	Q327-F419 CarbonylContact C-O 3.41Å; Q327-F419 WeakPolarHBondContact CA-O 3.31Å; V328-F419 PolarHBondContact N-O 3.05Å; V328-F419 PolarHBondContact O-N 3.01Å; L330-F419 HydrophobicContact CD1-CE2 4.15Å; L330-F419 HydrophobicContact CG-CE2 4.2Å; L395-F419 HydrophobicContact CD1-CD2 3.62Å; L395-F419 HydrophobicContact CD1-CE2 3.39Å; L395-F419 HydrophobicContact CD1-CG 4.31Å; L395-F419 HydrophobicContact CD1-CZ 3.9Å; L395-F419 HydrophobicContact CD2-CB 4.07Å; L395-F419 HydrophobicContact CD2-CD2 3.71Å; L395-F419 HydrophobicContact CD2-CE2 4.37Å; L395-F419 HydrophobicContact CD2-CG 3.96Å; L395-F419 HydrophobicContact CG-CD2 4.35Å; T405-F419 HydrophobicContact CG2-CE2 3.74Å; T405-F419 HydrophobicContact CG2-CZ 3.61Å; H417-F419 AromaticContact CD2-CE1 3.59Å; H417-F419 AromaticContact CD2-CE2 3.87Å; H417-F419 AromaticContact CD2-CZ 3.45Å; H417-F419 VanDerWaalsContact CD2-CZ 3.45Å; H417-F419 WeakPolarHBondContact CD2-CZ 3.38Å; H417-F419 AromaticContact NE2-CE1 3.97Å; F419-V421 HydrophobicContact CB-CG2 4.26Å
420	T	87.3	Confident	84.5	Confident	95 Å²	95	60 Å²	60	58%	0.583	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.5	166.2	-57	0	0	0	0	107.1	T325	T325-T420 HydrophobicContact CG2-CG2 3.53Å
421	V	85.1	Confident	84.7	Confident	11 Å²	11	57.5 Å²	57.5	7%	0.067	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.3	-173.1	-170.5	0	0	0	0	108.8	L326 L397 V402 F419	L326-V421 PolarHBondContact N-O 3.48Å; L326-V421 PolarHBondContact O-N 3.31Å; L397-V421 HydrophobicContact CD1-CG1 3.48Å; L397-V421 VanDerWaalsContact CD1-CG1 3.48Å; L397-V421 HydrophobicContact CG-CG1 4.47Å; V402-V421 HydrophobicContact CB-CG1 4.06Å; V402-V421 HydrophobicContact CG1-CG1 4.24Å; V402-V421 HydrophobicContact CG2-CG1 4.02Å; V402-V421 HydrophobicContact CG2-CG2 4.14Å; F419-V421 HydrophobicContact CB-CG2 4.26Å
422	E	80.8	Confident	85	Confident	167 Å²	167	56.5 Å²	56.5	78%	0.78	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	128.1	169.9	-64.8	-173.4	164.2	0	0	108.8
423	L	81.5	Confident	85.4	Confident	6 Å²	6	50.5 Å²	50.5	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.3	176.6	-56.4	178.8	0	0	0	108.6	L322 T323 G324 L326 L397 L449 F476	L322-L423 WeakPolarHBondContact O-CB 3.44Å; T323-L423 VanDerWaalsContact CA-O 3.26Å; T323-L423 WeakPolarHBondContact CA-O 3.18Å; T323-L423 WeakPolarHBondContact CG2-O 3.22Å; G324-L423 PolarHBondContact N-O 3.34Å; G324-L423 PolarHBondContact O-N 3.14Å; L326-L423 HydrophobicContact CB-CD1 3.98Å; L326-L423 HydrophobicContact CB-CD2 4.29Å; L326-L423 HydrophobicContact CB-CG 4.09Å; L397-L423 HydrophobicContact CD1-CD2 3.46Å; L397-L423 VanDerWaalsContact CD1-CD2 3.46Å; L397-L423 HydrophobicContact CD2-CD2 4.06Å; L397-L423 HydrophobicContact CG-CD2 4.44Å; L423-L449 HydrophobicContact CD1-CD1 3.93Å; L423-L449 HydrophobicContact CD2-CD1 4Å; L423-F476 HydrophobicContact CD1-CD2 4.43Å; L423-F476 HydrophobicContact CD1-CE1 4.17Å; L423-F476 HydrophobicContact CD1-CE2 3.71Å; L423-F476 HydrophobicContact CD1-CZ 3.55Å
424	E	74.6	Confident	85.7	Confident	160 Å²	160	45.5 Å²	45.5	75%	0.748	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	104.5	172.9	-174.7	173.9	-167.1	0	0	107.4	S426	E424-S426 PolarHBondContact N-OG 2.95Å; E424-S426 PolarHBondContact O-N 2.99Å; E424-S426 PolarHBondContact O-OG 3.34Å
425	R	71.6	Confident	86	Confident	96 Å²	96	45.3 Å²	45.3	36%	0.362	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51.4	15.9	-175.5	-63.5	178.4	69.7	-157.2	0.2	115.9	P321 L322 T323 E482 D834	P321-R425 WeakPolarHBondContact CA-O 3.37Å; P321-R425 HydrophobicContact CB-CB 4.26Å; P321-R425 WeakPolarHBondContact CB-O 3.32Å; L322-R425 CarbonylContact O-C 3.52Å; L322-R425 PolarHBondContact O-N 2.85Å; T323-R425 PolarHBondContact OG1-N 3.35Å; R425-E482 VanDerWaalsContact CD-OE2 3.31Å; R425-E482 WeakPolarHBondContact CD-OE2 3.45Å; R425-E482 VanDerWaalsContact CG-OE2 3.23Å; R425-E482 WeakPolarHBondContact CG-OE2 3.27Å; R425-E482 IonicContact NE-OE2 3.45Å; R425-D834 IonicContact CZ-OD1 3.61Å; R425-D834 IonicContact NH1-OD1 2.78Å; R425-D834 IonicContact NH1-OD2 2.76Å; R425-D834 IonicContact NH2-OD1 3.58Å; R425-D834 PolarHBondContact NH2-OD1 3Å; R425-D834 IonicContact NH2-OD2 3Å; R425-D834 PolarHBondContact NH2-OD2 3.29Å
426	S	76.5	Confident	86	Confident	7 Å²	7	50.4 Å²	50.4	5%	0.049	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	145.2	-173.7	-45.2	0	0	0	0	112.1	L322 E424	L322-S426 WeakPolarHBondContact CB-O 3.46Å; L322-S426 PolarHBondContact N-O 3.18Å; L322-S426 PolarHBondContact O-N 3.1Å; E424-S426 PolarHBondContact N-OG 2.95Å; E424-S426 PolarHBondContact O-N 2.99Å; E424-S426 PolarHBondContact O-OG 3.34Å
427	R	79	Confident	85.8	Confident	73 Å²	73	48.1 Å²	48.1	28%	0.275	23%	0.225	S	C	.	.			trans	-108.8	-40.8	-175.4	-63.2	176.5	-172.9	-102.6	-0.2	114.2	P319 P321 L449	P319-R427 HydrophobicContact CB-CB 4.49Å; P319-R427 HydrophobicContact CG-CB 4.17Å; P319-R427 WeakPolarHBondContact O-CD 3.29Å; P319-R427 PolarHBondContact O-NH1 3.5Å; P321-R427 HydrophobicContact CB-CG 4.03Å; R427-L449 WeakPolarHBondContact O-CB 3.47Å; R427-L449 PolarHBondContact O-N 3.23Å; R427-L449 VanDerWaalsContact O-N 3.1Å
428	E	86.1	Confident	85.5	Confident	52 Å²	52	47.8 Å²	47.8	24%	0.243	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	151.9	-173.3	-63.1	-176.9	142.1	0	0	110.1	P319 L447 K448	P319-E428 HydrophobicContact CG-CG 3.65Å; P319-E428 WeakPolarHBondContact CG-OE1 3.48Å; E428-L447 CarbonylContact C-O 3.59Å; E428-L447 VanDerWaalsContact CA-O 3.27Å; E428-L447 WeakPolarHBondContact CA-O 3.38Å; E428-K448 HydrophobicContact CG-CG 4.3Å; E428-K448 WeakPolarHBondContact OE1-CG 3.24Å
429	M	89.1	Confident	85.4	Confident	1 Å²	1	45 Å²	45	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.9	175.8	-175.9	177.9	63.4	0	0	110	L326 V328 L395 L397 I431 Y446 L447 L449	L326-M429 HydrophobicContact CD2-CE 3.95Å; L326-M429 HydrophobicContact CD2-SD 3.8Å; V328-M429 HydrophobicContact CG1-CE 4.37Å; V328-M429 HydrophobicContact CG2-CE 3.82Å; V328-M429 HydrophobicContact CG2-SD 4.11Å; L395-M429 HydrophobicContact CD2-SD 4.08Å; L395-M429 HydrophobicContact CG-SD 4.49Å; L397-M429 HydrophobicContact CD2-CB 3.68Å; L397-M429 HydrophobicContact CD2-CG 3.84Å; M429-I431 HydrophobicContact CE-CD1 4.26Å; M429-I431 HydrophobicContact CE-CG1 4.33Å; M429-Y446 CarbonylContact O-C 3.54Å; M429-Y446 WeakPolarHBondContact O-CA 3.38Å; M429-L447 HydrophobicContact CE-CD1 3.83Å; M429-L447 PolarHBondContact N-O 3.39Å; M429-L447 PolarHBondContact O-N 3.08Å; M429-L449 HydrophobicContact CB-CD2 4.1Å
430	E	92	Very high	85.3	Confident	12 Å²	12	44.1 Å²	44.1	6%	0.056	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	132.1	173.1	176.8	-167.8	172.2	0	0	109.1	R263 K396 K445 Y446	R263-E430 IonicContact CZ-OE1 3.52Å; R263-E430 IonicContact CZ-OE2 3.48Å; R263-E430 IonicContact NE-OE1 2.77Å; R263-E430 PolarHBondContact NE-OE1 3.01Å; R263-E430 IonicContact NE-OE2 3.28Å; R263-E430 VanDerWaalsContact NH2-CD 3.32Å; R263-E430 IonicContact NH2-OE1 3.65Å; R263-E430 PolarHBondContact NH2-OE1 3.35Å; R263-E430 IonicContact NH2-OE2 2.69Å; R263-E430 PolarHBondContact NH2-OE2 3.39Å; K396-E430 HydrophobicContact CB-CB 4.22Å; K396-E430 PolarHBondContact N-O 3.1Å; K396-E430 PolarHBondContact O-N 3.31Å; E430-K445 CarbonylContact C-O 3.55Å; E430-K445 WeakPolarHBondContact CA-O 3.38Å; E430-Y446 HydrophobicContact CB-CD1 4.03Å; E430-Y446 HydrophobicContact CB-CE1 4.01Å; E430-Y446 HydrophobicContact CG-CD1 4.37Å; E430-Y446 HydrophobicContact CG-CE1 4.02Å
431	I	93.4	Very high	85.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.1	166.1	-52.8	174.1	0	0	0	107.4	L330 V394 M429 L444 K445 L447 L462 L470	L330-I431 HydrophobicContact CD1-CG2 4.27Å; L330-I431 HydrophobicContact CD2-CD1 4.28Å; V394-I431 WeakPolarHBondContact O-CA 3.21Å; M429-I431 HydrophobicContact CE-CD1 4.26Å; M429-I431 HydrophobicContact CE-CG1 4.33Å; I431-L444 CarbonylContact O-C 3.51Å; I431-L444 VanDerWaalsContact O-CA 3.27Å; I431-L444 WeakPolarHBondContact O-CA 3.45Å; I431-K445 PolarHBondContact N-O 2.93Å; I431-K445 PolarHBondContact O-N 3.35Å; I431-L447 HydrophobicContact CD1-CD1 3.72Å; I431-L447 HydrophobicContact CD1-CG 4.46Å; I431-L462 HydrophobicContact CD1-CD1 4.31Å; I431-L470 HydrophobicContact CB-CD2 4.36Å; I431-L470 HydrophobicContact CD1-CD2 3.94Å; I431-L470 HydrophobicContact CG2-CD2 3.76Å
432	A	93	Very high	85.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.5	-176	0	0	0	0	0	110.5	A393 V394 Y434 L441	A393-A432 CarbonylContact C-O 3.59Å; A393-A432 WeakPolarHBondContact CA-O 3.39Å; V394-A432 PolarHBondContact N-O 3.13Å; V394-A432 PolarHBondContact O-N 3.08Å; A432-Y434 HydrophobicContact CB-CE2 3.77Å; A432-L441 HydrophobicContact CB-CD1 3.76Å
433	V	92.9	Very high	86.2	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132	-176.7	-173.8	0	0	0	0	110.3	L336 V391 A393 W415 C442 A443 L464	L336-V433 HydrophobicContact CD1-CG1 3.88Å; L336-V433 HydrophobicContact CD2-CG1 4.27Å; V391-V433 HydrophobicContact CB-CG1 4.35Å; A393-V433 HydrophobicContact CB-CG2 4.37Å; W415-V433 HydrophobicContact CH2-CG1 4.48Å; V433-C442 PolarHBondContact O-N 2.83Å; V433-C442 PolarHBondContact O-SG 3.13Å; V433-C442 VanDerWaalsContact O-SG 3.34Å; V433-A443 HydrophobicContact CB-CB 4.43Å; V433-A443 PolarHBondContact N-O 2.94Å; V433-A443 PolarHBondContact O-N 3.45Å; V433-L464 HydrophobicContact CG2-CD1 3.98Å
434	Y	91.5	Very high	86.8	Confident	13 Å²	13	31 Å²	31	5%	0.051	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.8	-175.3	-64.8	-102.7	0	0	0	110.9	P352 V391 S392 V394 W407 A432 S440 L441	P352-Y434 HydrophobicContact CG-CD1 4.05Å; P352-Y434 HydrophobicContact CG-CD2 3.89Å; P352-Y434 HydrophobicContact CG-CE1 4.22Å; P352-Y434 HydrophobicContact CG-CE2 4.07Å; P352-Y434 HydrophobicContact CG-CG 3.89Å; V391-Y434 VanDerWaalsContact CA-O 3.25Å; V391-Y434 WeakPolarHBondContact CA-O 3.39Å; S392-Y434 PolarHBondContact N-O 2.65Å; S392-Y434 PolarHBondContact O-N 3.04Å; V394-Y434 HydrophobicContact CB-CE2 4.02Å; V394-Y434 HydrophobicContact CG2-CD2 3.83Å; V394-Y434 HydrophobicContact CG2-CE2 3.64Å; W407-Y434 WeakPolarHBondContact CZ3-O 3.5Å; A432-Y434 HydrophobicContact CB-CE2 3.77Å; Y434-S440 WeakPolarHBondContact CA-O 3.15Å; Y434-L441 HydrophobicContact CD1-CB 3.93Å; Y434-L441 HydrophobicContact CD2-CD1 4.42Å; Y434-L441 HydrophobicContact CE1-CB 3.68Å; Y434-L441 HydrophobicContact CE1-CD1 4.15Å; Y434-L441 HydrophobicContact CE1-CG 4.43Å; Y434-L441 HydrophobicContact CE2-CD1 4Å
435	W	89.9	Confident	87.6	Confident	11 Å²	11	24.5 Å²	24.5	4%	0.042	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	148	162	-72.3	117.8	0	0	0	111.2	L336 L337 S388 V391 V410 D437 R439 S440 C442	L336-W435 HydrophobicContact CB-CZ2 3.84Å; L336-W435 HydrophobicContact CD1-CH2 4.39Å; L336-W435 HydrophobicContact CD1-CZ2 4.11Å; L337-W435 PolarHBondContact O-NE1 3.04Å; S388-W435 WeakPolarHBondContact O-CZ3 3.41Å; V391-W435 HydrophobicContact CG1-CD2 3.9Å; V391-W435 HydrophobicContact CG1-CE3 3.35Å; V391-W435 HydrophobicContact CG1-CH2 4.1Å; V391-W435 HydrophobicContact CG1-CZ3 3.46Å; V391-W435 VanDerWaalsContact CG1-CZ3 3.46Å; V410-W435 HydrophobicContact CB-CH2 4.37Å; V410-W435 HydrophobicContact CG1-CH2 4.27Å; W435-D437 PolarHBondContact O-N 3.18Å; W435-R439 HydrophobicContact CB-CB 4.03Å; W435-R439 VanDerWaalsContact CD2-CZ 3.5Å; W435-R439 VanDerWaalsContact CE2-NH1 3.33Å; W435-R439 HydrophobicContact CG-CB 4.09Å; W435-S440 PolarHBondContact N-O 3.3Å; W435-C442 VanDerWaalsContact CD1-SG 3.51Å; W435-C442 HydrophobicContact CG-CB 4.42Å
436	R	87.2	Confident	88.4	Confident	125 Å²	125	21.8 Å²	21.8	47%	0.472	9%	0.09	S	C	.	.	S	Bend	trans	-81	35.7	176.6	-153.7	-177.2	170.3	-171.9	-5	113.6	L351 E390 W407	L351-R436 HydrophobicContact CD1-CG 4.37Å; E390-R436 HydrophobicContact CB-CB 4.1Å; E390-R436 PolarHBondContact O-N 3.14Å; E390-R436 IonicContact OE1-NH1 3.95Å; E390-R436 WeakPolarHBondContact OE2-CD 3.32Å; E390-R436 IonicContact OE2-CZ 2.67Å; E390-R436 IonicContact OE2-NE 3.83Å; E390-R436 IonicContact OE2-NH1 2.66Å; E390-R436 PolarHBondContact OE2-NH1 3.38Å; W407-R436 HydrophobicContact CD2-CB 4.18Å; W407-R436 HydrophobicContact CD2-CG 3.84Å; W407-R436 HydrophobicContact CE3-CB 3.52Å; W407-R436 HydrophobicContact CE3-CG 3.71Å; W407-R436 HydrophobicContact CG-CG 4.42Å; W407-R436 HydrophobicContact CH2-CB 4.31Å; W407-R436 HydrophobicContact CH2-CG 4.35Å; W407-R436 HydrophobicContact CZ2-CG 4.47Å; W407-R436 HydrophobicContact CZ3-CB 3.59Å; W407-R436 HydrophobicContact CZ3-CG 3.98Å
437	D	84.6	Confident	88.9	Confident	30 Å²	30	21.8 Å²	21.8	16%	0.16	9%	0.089	C	C	.	.	S	Bend	trans	-149.9	-166.5	-179.8	65.2	39.6	0	0	0	112.1	S388 W435 R439 S440	S388-D437 PolarHBondContact N-OD2 3.44Å; W435-D437 PolarHBondContact O-N 3.18Å; D437-R439 PolarHBondContact O-N 2.96Å; D437-R439 VanDerWaalsContact O-N 3.08Å; D437-R439 WeakPolarHBondContact OD1-CB 3.35Å; D437-R439 VanDerWaalsContact OD1-CG 3.28Å; D437-R439 WeakPolarHBondContact OD1-CG 3.41Å; D437-R439 IonicContact OD1-CZ 3.79Å; D437-R439 PolarHBondContact OD1-N 3.14Å; D437-R439 IonicContact OD1-NE 2.72Å; D437-R439 PolarHBondContact OD1-NE 3.35Å; D437-R439 IonicContact OD1-NH2 3.88Å; D437-R439 IonicContact OD2-CZ 2.68Å; D437-R439 IonicContact OD2-NE 3.64Å; D437-R439 PolarHBondContact OD2-NE 3.38Å; D437-R439 VanDerWaalsContact OD2-NE 3.11Å; D437-R439 IonicContact OD2-NH2 2.87Å; D437-R439 PolarHBondContact OD2-NH2 3.43Å; D437-S440 PolarHBondContact O-N 3Å; D437-S440 VanDerWaalsContact O-N 3.09Å
438	Y	81.8	Confident	89.1	Confident	63 Å²	63	20 Å²	20	25%	0.247	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-15.9	-178	74.3	-87.8	0	0	0	114.7	R343 S344 R345 L387	R343-Y438 HydrophobicContact CB-CD2 4.5Å; S344-Y438 WeakPolarHBondContact O-CD2 3.36Å; R345-Y438 HydrophobicContact CG-CD1 4.09Å; R345-Y438 HydrophobicContact CG-CD2 4.22Å; R345-Y438 HydrophobicContact CG-CE1 3.65Å; R345-Y438 HydrophobicContact CG-CE2 3.82Å; R345-Y438 HydrophobicContact CG-CG 4.36Å; R345-Y438 PolarHBondContact NE-OH 3.49Å; L387-Y438 HydrophobicContact CD2-CE1 3.82Å
439	R	86.4	Confident	88.8	Confident	4 Å²	4	17.6 Å²	17.6	2%	0.015	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-34.6	175.3	-63.5	175.2	-71.5	169.1	1.2	111.3	D338 V340 S388 W435 D437	D338-R439 WeakPolarHBondContact O-CD 3.41Å; D338-R439 IonicContact OD1-NH1 3.43Å; D338-R439 PolarHBondContact OD1-NH1 3.33Å; V340-R439 HydrophobicContact CG2-CB 3.93Å; V340-R439 HydrophobicContact CG2-CG 4.46Å; S388-R439 PolarHBondContact O-NH2 3.47Å; W435-R439 HydrophobicContact CB-CB 4.03Å; W435-R439 VanDerWaalsContact CD2-CZ 3.5Å; W435-R439 VanDerWaalsContact CE2-NH1 3.33Å; W435-R439 HydrophobicContact CG-CB 4.09Å; D437-R439 PolarHBondContact O-N 2.96Å; D437-R439 VanDerWaalsContact O-N 3.08Å; D437-R439 WeakPolarHBondContact OD1-CB 3.35Å; D437-R439 VanDerWaalsContact OD1-CG 3.28Å; D437-R439 WeakPolarHBondContact OD1-CG 3.41Å; D437-R439 IonicContact OD1-CZ 3.79Å; D437-R439 PolarHBondContact OD1-N 3.14Å; D437-R439 IonicContact OD1-NE 2.72Å; D437-R439 PolarHBondContact OD1-NE 3.35Å; D437-R439 IonicContact OD1-NH2 3.88Å; D437-R439 IonicContact OD2-CZ 2.68Å; D437-R439 IonicContact OD2-NE 3.64Å; D437-R439 PolarHBondContact OD2-NE 3.38Å; D437-R439 VanDerWaalsContact OD2-NE 3.11Å; D437-R439 IonicContact OD2-NH2 2.87Å; D437-R439 PolarHBondContact OD2-NH2 3.43Å
440	S	87.8	Confident	88	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	7%	0.074	C	C	.	.			trans	51.5	-134.4	178.1	-172.5	0	0	0	0	112.2	Q262 V349 Y434 W435 D437 C442	Q262-S440 PolarHBondContact OE1-OG 3.21Å; V349-S440 VanDerWaalsContact CG1-CB 3.41Å; V349-S440 VanDerWaalsContact CG1-OG 3.3Å; V349-S440 WeakPolarHBondContact CG1-OG 3.38Å; Y434-S440 WeakPolarHBondContact CA-O 3.15Å; W435-S440 PolarHBondContact N-O 3.3Å; D437-S440 PolarHBondContact O-N 3Å; D437-S440 VanDerWaalsContact O-N 3.09Å; S440-C442 PolarHBondContact O-N 3.37Å; S440-C442 VanDerWaalsContact O-N 3.11Å
441	L	89.9	Confident	87	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.01	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	112.5	176.9	-178.4	63.2	0	0	0	110.2	Q262 R263 L266 A432 Y434	Q262-L441 HydrophobicContact CB-CB 4.38Å; Q262-L441 HydrophobicContact CB-CD2 3.95Å; R263-L441 HydrophobicContact CG-CD2 3.82Å; L266-L441 HydrophobicContact CD1-CD1 4.47Å; L266-L441 HydrophobicContact CD1-CD2 4.3Å; L266-L441 HydrophobicContact CD1-CG 3.82Å; A432-L441 HydrophobicContact CB-CD1 3.76Å; Y434-L441 HydrophobicContact CD1-CB 3.93Å; Y434-L441 HydrophobicContact CD2-CD1 4.42Å; Y434-L441 HydrophobicContact CE1-CB 3.68Å; Y434-L441 HydrophobicContact CE1-CD1 4.15Å; Y434-L441 HydrophobicContact CE1-CG 4.43Å; Y434-L441 HydrophobicContact CE2-CD1 4Å
442	C	90.3	Very high	86.1	Confident	0 Å²	0	21 Å²	21	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-21.6	-172.6	62.1	0	0	0	0	113.9	V340 V433 W435 S440	V340-C442 HydrophobicContact CG2-CB 3.7Å; V433-C442 PolarHBondContact O-N 2.83Å; V433-C442 PolarHBondContact O-SG 3.13Å; V433-C442 VanDerWaalsContact O-SG 3.34Å; W435-C442 VanDerWaalsContact CD1-SG 3.51Å; W435-C442 HydrophobicContact CG-CB 4.42Å; S440-C442 PolarHBondContact O-N 3.37Å; S440-C442 VanDerWaalsContact O-N 3.11Å
443	A	91.8	Very high	84.9	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	151.4	176.7	0	0	0	0	0	111.4	L336 V433 L464 E465	L336-A443 HydrophobicContact CD2-CB 3.82Å; V433-A443 HydrophobicContact CB-CB 4.43Å; V433-A443 PolarHBondContact N-O 2.94Å; V433-A443 PolarHBondContact O-N 3.45Å; A443-L464 HydrophobicContact CB-CB 3.84Å; A443-L464 HydrophobicContact CB-CD1 3.76Å; A443-L464 HydrophobicContact CB-CG 4.43Å; A443-E465 CarbonylContact C-O 3.55Å; A443-E465 VanDerWaalsContact CA-O 3.28Å; A443-E465 WeakPolarHBondContact CA-O 3.42Å
444	L	93.4	Very high	83.4	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	160.1	177	61.1	79.3	0	0	0	113.1	R263 L266 L267 I431 Y446 E465	R263-L444 HydrophobicContact CB-CD2 4.17Å; R263-L444 HydrophobicContact CG-CD2 3.87Å; L266-L444 HydrophobicContact CD1-CD2 4.23Å; L266-L444 HydrophobicContact CD1-CG 4.4Å; L267-L444 HydrophobicContact CD2-CD1 4.21Å; I431-L444 CarbonylContact O-C 3.51Å; I431-L444 VanDerWaalsContact O-CA 3.27Å; I431-L444 WeakPolarHBondContact O-CA 3.45Å; L444-Y446 HydrophobicContact CD1-CD2 4.06Å; L444-Y446 HydrophobicContact CD1-CE2 3.53Å; L444-E465 HydrophobicContact CD1-CB 4.25Å; L444-E465 PolarHBondContact N-O 3.07Å; L444-E465 PolarHBondContact O-N 3.19Å
445	K	91.6	Very high	82	Confident	24 Å²	24	23.7 Å²	23.7	10%	0.104	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	135.2	173.3	-174.3	62.6	158.6	-152.9	0	110.8	E430 I431 L447 E463 L464	E430-K445 CarbonylContact C-O 3.55Å; E430-K445 WeakPolarHBondContact CA-O 3.38Å; I431-K445 PolarHBondContact N-O 2.93Å; I431-K445 PolarHBondContact O-N 3.35Å; K445-L447 HydrophobicContact CG-CD2 3.98Å; K445-E463 VanDerWaalsContact CD-O 3.26Å; K445-E463 WeakPolarHBondContact CD-O 3.43Å; K445-E463 VanDerWaalsContact CE-O 3.24Å; K445-E463 WeakPolarHBondContact CE-O 3.31Å; K445-E463 PolarHBondContact NZ-O 2.97Å; K445-L464 HydrophobicContact CB-CD2 3.76Å
446	Y	88.9	Confident	80.9	Confident	40 Å²	40	26.1 Å²	26.1	16%	0.157	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.8	169.1	-58.3	-88.6	0	0	0	109.5	H221 L267 M429 E430 L444	H221-Y446 HydrophobicContact CB-CE2 4.13Å; H221-Y446 AromaticContact CE1-CD2 3.55Å; H221-Y446 AromaticContact CE1-CG 3.66Å; H221-Y446 AromaticContact CG-CE2 3.86Å; H221-Y446 AromaticContact ND1-CD2 3.3Å; H221-Y446 VanDerWaalsContact ND1-CD2 3.3Å; H221-Y446 WeakPolarHBondContact ND1-CD2 3.28Å; H221-Y446 AromaticContact ND1-CE2 3.58Å; H221-Y446 AromaticContact ND1-CG 3.89Å; L267-Y446 HydrophobicContact CD2-CE2 4.48Å; M429-Y446 CarbonylContact O-C 3.54Å; M429-Y446 WeakPolarHBondContact O-CA 3.38Å; E430-Y446 HydrophobicContact CB-CD1 4.03Å; E430-Y446 HydrophobicContact CB-CE1 4.01Å; E430-Y446 HydrophobicContact CG-CD1 4.37Å; E430-Y446 HydrophobicContact CG-CE1 4.02Å; L444-Y446 HydrophobicContact CD1-CD2 4.06Å; L444-Y446 HydrophobicContact CD1-CE2 3.53Å
447	L	85.8	Confident	80	Confident	6 Å²	6	27.3 Å²	27.3	3%	0.031	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.6	177.4	-60.9	-176.2	0	0	0	109.8	E428 M429 I431 K445 L449 F452 L462	E428-L447 CarbonylContact C-O 3.59Å; E428-L447 VanDerWaalsContact CA-O 3.27Å; E428-L447 WeakPolarHBondContact CA-O 3.38Å; M429-L447 HydrophobicContact CE-CD1 3.83Å; M429-L447 PolarHBondContact N-O 3.39Å; M429-L447 PolarHBondContact O-N 3.08Å; I431-L447 HydrophobicContact CD1-CD1 3.72Å; I431-L447 HydrophobicContact CD1-CG 4.46Å; K445-L447 HydrophobicContact CG-CD2 3.98Å; L447-L449 PolarHBondContact O-N 3.27Å; L447-F452 HydrophobicContact CB-CE2 4.36Å; L447-L462 HydrophobicContact CD1-CD1 3.97Å; L447-L462 HydrophobicContact CD2-CD1 3.91Å; L447-L462 HydrophobicContact CD2-CD2 3.65Å; L447-L462 HydrophobicContact CD2-CG 4.42Å; L447-L462 HydrophobicContact CG-CD1 4.47Å
448	K	82.8	Confident	79.4	Confident	36 Å²	36	28 Å²	28	16%	0.157	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.5	174.3	-68.1	172.6	-167.9	161.9	0	109.1	E217 P319 E428 E450 E451	E217-K448 IonicContact OE1-NZ 3.54Å; E217-K448 PolarHBondContact OE1-NZ 2.96Å; P319-K448 HydrophobicContact CG-CG 4.46Å; E428-K448 HydrophobicContact CG-CG 4.3Å; E428-K448 WeakPolarHBondContact OE1-CG 3.24Å; K448-E450 HydrophobicContact CB-CG 4.29Å; K448-E450 PolarHBondContact O-N 2.97Å; K448-E450 VanDerWaalsContact O-N 3.16Å; K448-E451 HydrophobicContact CB-CG 4.08Å; K448-E451 WeakPolarHBondContact O-CB 2.97Å; K448-E451 PolarHBondContact O-N 3.44Å; K448-E451 VanDerWaalsContact O-N 3.07Å
449	L	80.3	Confident	79.1	Confident	1 Å²	1	32 Å²	32	1%	0.005	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-65.9	-22.5	-174.7	-62.6	174.1	0	0	0	112.1	L322 L326 L397 L423 R427 M429 L447 E451 F452	L322-L449 HydrophobicContact CD1-CB 3.55Å; L326-L449 HydrophobicContact CD2-CD2 3.68Å; L397-L449 HydrophobicContact CD2-CD1 4.34Å; L423-L449 HydrophobicContact CD1-CD1 3.93Å; L423-L449 HydrophobicContact CD2-CD1 4Å; R427-L449 WeakPolarHBondContact O-CB 3.47Å; R427-L449 PolarHBondContact O-N 3.23Å; R427-L449 VanDerWaalsContact O-N 3.1Å; M429-L449 HydrophobicContact CB-CD2 4.1Å; L447-L449 PolarHBondContact O-N 3.27Å; L449-E451 PolarHBondContact O-N 2.79Å; L449-F452 PolarHBondContact O-N 3.12Å
450	E	72.1	Confident	78.7	Confident	7 Å²	7	33.2 Å²	33.2	3%	0.033	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-67.5	-10.5	174.5	68.2	166.2	-126.6	0	0	114.9	Q188 K191 P319 S320 L322 K448 F452 L453	Q188-E450 PolarHBondContact NE2-OE1 2.74Å; Q188-E450 VanDerWaalsContact NE2-OE1 3.14Å; K191-E450 IonicContact NZ-OE1 3.32Å; K191-E450 PolarHBondContact NZ-OE1 3.39Å; P319-E450 WeakPolarHBondContact CA-OE2 3.47Å; P319-E450 HydrophobicContact CB-CG 4.21Å; S320-E450 PolarHBondContact N-OE2 2.91Å; S320-E450 VanDerWaalsContact N-OE2 3.12Å; L322-E450 HydrophobicContact CD1-CB 4.2Å; L322-E450 VanDerWaalsContact CD1-N 3.34Å; K448-E450 HydrophobicContact CB-CG 4.29Å; K448-E450 PolarHBondContact O-N 2.97Å; K448-E450 VanDerWaalsContact O-N 3.16Å; E450-F452 VanDerWaalsContact C-N 3.35Å; E450-L453 HydrophobicContact CB-CD1 4.11Å; E450-L453 WeakPolarHBondContact O-CD1 3.19Å; E450-L453 WeakPolarHBondContact O-CG 3.33Å
451	E	72.1	Confident	78.5	Confident	71 Å²	71	39.8 Å²	39.8	33%	0.332	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-80.3	-17.5	177.9	-64.4	-178.6	175.6	0	0	113.1	K448 L449	K448-E451 HydrophobicContact CB-CG 4.08Å; K448-E451 WeakPolarHBondContact O-CB 2.97Å; K448-E451 PolarHBondContact O-N 3.44Å; K448-E451 VanDerWaalsContact O-N 3.07Å; L449-E451 PolarHBondContact O-N 2.79Å
452	F	73.9	Confident	78.2	Confident	8 Å²	8	40.4 Å²	40.4	4%	0.035	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-107.7	24.1	-173.1	-54.7	-83.1	0	0	0	113.5	L447 L449 E450 D454 H458 V460 V474 F476	L447-F452 HydrophobicContact CB-CE2 4.36Å; L449-F452 PolarHBondContact O-N 3.12Å; E450-F452 VanDerWaalsContact C-N 3.35Å; F452-D454 VanDerWaalsContact C-N 3.29Å; F452-D454 PolarHBondContact O-N 3.23Å; F452-H458 HydrophobicContact CD1-CB 3.95Å; F452-H458 AromaticContact CD1-CD2 3.71Å; F452-H458 AromaticContact CD1-CG 3.76Å; F452-H458 HydrophobicContact CE1-CB 4Å; F452-V460 HydrophobicContact CE1-CG1 4.1Å; F452-V474 HydrophobicContact CB-CG1 4.42Å; F452-V474 HydrophobicContact CD1-CB 3.84Å; F452-V474 HydrophobicContact CD1-CG1 3.68Å; F452-V474 HydrophobicContact CD2-CG1 4.27Å; F452-V474 HydrophobicContact CE1-CB 3.79Å; F452-V474 HydrophobicContact CE1-CG1 3.96Å; F452-V474 HydrophobicContact CE1-CG2 4.18Å; F452-V474 HydrophobicContact CG-CG1 3.85Å; F452-V474 HydrophobicContact CZ-CB 4.42Å; F452-V474 HydrophobicContact CZ-CG1 4.39Å; F452-V474 HydrophobicContact CZ-CG2 4.42Å; F452-F476 HydrophobicContact CB-CB 4.28Å; F452-F476 WeakPolarHBondContact O-CB 3.43Å
453	L	67.3	Low	78	Confident	10 Å²	10	45.4 Å²	45.4	5%	0.052	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	3.1	-170.1	-72.2	175.9	0	0	0	116.6	I184 L322 E450 F476 P479 I481	I184-L453 HydrophobicContact CG2-CD1 4.1Å; L322-L453 HydrophobicContact CD1-CD2 4.17Å; L322-L453 HydrophobicContact CD2-CD2 3.74Å; E450-L453 HydrophobicContact CB-CD1 4.11Å; E450-L453 WeakPolarHBondContact O-CD1 3.19Å; E450-L453 WeakPolarHBondContact O-CG 3.33Å; L453-F476 HydrophobicContact CD2-CD1 4.24Å; L453-F476 HydrophobicContact CD2-CE1 4Å; L453-P479 HydrophobicContact CD2-CB 3.68Å; L453-P479 HydrophobicContact CD2-CG 4.27Å; L453-I481 HydrophobicContact CD1-CD1 3.92Å; L453-I481 HydrophobicContact CD2-CD1 4.03Å
454	D	62.8	Low	78	Confident	7 Å²	7	45.6 Å²	45.6	4%	0.037	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	2.8	-174.1	62.7	9.8	0	0	0	114.7	A135 L136 F452 Q456 H458	A135-D454 HydrophobicContact CB-CB 4.04Å; A135-D454 WeakPolarHBondContact CB-OD2 3.48Å; L136-D454 HydrophobicContact CD2-CB 4.37Å; F452-D454 VanDerWaalsContact C-N 3.29Å; F452-D454 PolarHBondContact O-N 3.23Å; D454-Q456 HydrophobicContact CB-CG 4.49Å; D454-Q456 PolarHBondContact O-N 2.83Å; D454-Q456 PolarHBondContact OD1-N 3.28Å; D454-H458 VanDerWaalsContact CG-NE2 3.28Å; D454-H458 IonicContact OD1-CD2 2.64Å; D454-H458 IonicContact OD1-CE1 2.7Å; D454-H458 IonicContact OD1-NE2 2.69Å; D454-H458 PolarHBondContact OD1-NE2 3.21Å; D454-H458 IonicContact OD2-CE1 3.34Å; D454-H458 PolarHBondContact OD2-CE1 3.14Å; D454-H458 IonicContact OD2-NE2 3.04Å; D454-H458 PolarHBondContact OD2-NE2 3.04Å; D454-H458 VanDerWaalsContact OD2-NE2 3.13Å
455	N	61.7	Low	77.8	Confident	51 Å²	51	45.7 Å²	45.7	27%	0.273	21%	0.209	S	C	.	.			trans	57.7	19.7	-173.6	-52.3	-77.5	0	0	0	115.3	Q139 F476 P479	Q139-N455 PolarHBondContact NE2-ND2 3.25Å; Q139-N455 VanDerWaalsContact NE2-ND2 3.19Å; Q139-N455 PolarHBondContact OE1-ND2 3.27Å; N455-F476 WeakPolarHBondContact CA-O 3.25Å; N455-F476 PolarHBondContact OD1-O 3.07Å; N455-F476 VanDerWaalsContact OD1-O 3.09Å; N455-P479 WeakPolarHBondContact OD1-CD 3.13Å
456	Q	66	Low	77.5	Confident	62 Å²	62	44.9 Å²	44.9	29%	0.29	21%	0.207	S	C	.	.			trans	-92.5	159.2	176.9	-58.8	-171.3	29.1	0	0	111.1	D454 H458	D454-Q456 HydrophobicContact CB-CG 4.49Å; D454-Q456 PolarHBondContact O-N 2.83Å; D454-Q456 PolarHBondContact OD1-N 3.28Å; Q456-H458 PolarHBondContact O-CD2 3.34Å; Q456-H458 PolarHBondContact O-N 3.43Å
457	R	69.9	Low	77.5	Confident	151 Å²	151	47.9 Å²	47.9	57%	0.57	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	100.7	171.5	178.1	170.1	166.3	-149.3	-9.3	108.1	Q459 E473	R457-Q459 PolarHBondContact O-N 3.07Å; R457-E473 HydrophobicContact CG-CB 4.41Å; R457-E473 IonicContact CZ-OE1 3.91Å; R457-E473 IonicContact CZ-OE2 3.73Å; R457-E473 IonicContact NE-OE1 2.68Å; R457-E473 IonicContact NE-OE2 3.52Å; R457-E473 PolarHBondContact NE-OE2 2.98Å; R457-E473 IonicContact NH2-OE1 2.73Å; R457-E473 PolarHBondContact NH2-OE1 3.42Å; R457-E473 IonicContact NH2-OE2 3.68Å; R457-E473 PolarHBondContact NH2-OE2 3.49Å
458	H	70.3	Confident	77.5	Confident	43 Å²	43	48.3 Å²	48.3	20%	0.199	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	106.8	178.4	-68.8	-91.4	0	0	0	109.8	F452 D454 Q456 V460 E473 V474	F452-H458 HydrophobicContact CD1-CB 3.95Å; F452-H458 AromaticContact CD1-CD2 3.71Å; F452-H458 AromaticContact CD1-CG 3.76Å; F452-H458 HydrophobicContact CE1-CB 4Å; D454-H458 VanDerWaalsContact CG-NE2 3.28Å; D454-H458 IonicContact OD1-CD2 2.64Å; D454-H458 IonicContact OD1-CE1 2.7Å; D454-H458 IonicContact OD1-NE2 2.69Å; D454-H458 PolarHBondContact OD1-NE2 3.21Å; D454-H458 IonicContact OD2-CE1 3.34Å; D454-H458 PolarHBondContact OD2-CE1 3.14Å; D454-H458 IonicContact OD2-NE2 3.04Å; D454-H458 PolarHBondContact OD2-NE2 3.04Å; D454-H458 VanDerWaalsContact OD2-NE2 3.13Å; Q456-H458 PolarHBondContact O-CD2 3.34Å; Q456-H458 PolarHBondContact O-N 3.43Å; H458-V460 HydrophobicContact CB-CG1 4.07Å; H458-V460 PolarHBondContact O-N 2.63Å; H458-E473 CarbonylContact O-C 3.55Å; H458-E473 VanDerWaalsContact O-CA 3.26Å; H458-E473 WeakPolarHBondContact O-CA 3.34Å; H458-V474 PolarHBondContact N-O 2.84Å; H458-V474 PolarHBondContact O-N 2.86Å
459	Q	75.7	Confident	77.8	Confident	147 Å²	147	48.7 Å²	48.7	69%	0.687	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	105	164.2	-169.4	175.3	22.6	0	0	108.1	R457 E473	R457-Q459 PolarHBondContact O-N 3.07Å; Q459-E473 HydrophobicContact CG-CG 4.47Å
460	V	79.1	Confident	78.3	Confident	30 Å²	30	48.6 Å²	48.6	18%	0.182	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.7	-175.2	-76.7	0	0	0	0	111.7	F452 H458 L462 A472 V474	F452-V460 HydrophobicContact CE1-CG1 4.1Å; H458-V460 HydrophobicContact CB-CG1 4.07Å; H458-V460 PolarHBondContact O-N 2.63Å; V460-L462 HydrophobicContact CB-CD2 3.95Å; V460-L462 HydrophobicContact CB-CG 4.07Å; V460-L462 HydrophobicContact CG2-CD1 4.04Å; V460-L462 HydrophobicContact CG2-CD2 4.12Å; V460-L462 HydrophobicContact CG2-CG 3.95Å; V460-A472 HydrophobicContact CG2-CB 4.13Å; V460-A472 WeakPolarHBondContact CG2-O 3.32Å; V460-A472 PolarHBondContact N-O 2.9Å; V460-A472 PolarHBondContact O-N 3.33Å; V460-A472 VanDerWaalsContact O-N 3.1Å; V460-V474 HydrophobicContact CG2-CG2 4.02Å
461	Q	82.6	Confident	79.1	Confident	138 Å²	138	50 Å²	50	65%	0.645	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	103.2	169.8	-166.7	-172.8	-42.8	0	0	107.6	L469 L471	Q461-L469 HydrophobicContact CG-CD1 3.8Å; Q461-L469 HydrophobicContact CG-CD2 3.71Å; Q461-L469 HydrophobicContact CG-CG 3.82Å; Q461-L471 HydrophobicContact CB-CD2 4.42Å; Q461-L471 HydrophobicContact CG-CD2 4.06Å
462	L	84.6	Confident	79.9	Confident	16 Å²	16	46.6 Å²	46.6	8%	0.084	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	111.1	-170.1	-62.9	174.1	0	0	0	110.7	I431 L447 V460 L464 L470 A472	I431-L462 HydrophobicContact CD1-CD1 4.31Å; L447-L462 HydrophobicContact CD1-CD1 3.97Å; L447-L462 HydrophobicContact CD2-CD1 3.91Å; L447-L462 HydrophobicContact CD2-CD2 3.65Å; L447-L462 HydrophobicContact CD2-CG 4.42Å; L447-L462 HydrophobicContact CG-CD1 4.47Å; V460-L462 HydrophobicContact CB-CD2 3.95Å; V460-L462 HydrophobicContact CB-CG 4.07Å; V460-L462 HydrophobicContact CG2-CD1 4.04Å; V460-L462 HydrophobicContact CG2-CD2 4.12Å; V460-L462 HydrophobicContact CG2-CG 3.95Å; L462-L464 PolarHBondContact O-N 2.92Å; L462-L470 HydrophobicContact CB-CB 4.23Å; L462-L470 HydrophobicContact CD1-CD2 4.14Å; L462-L470 PolarHBondContact N-O 2.85Å; L462-L470 PolarHBondContact O-N 3.03Å; L462-A472 HydrophobicContact CD1-CB 4.24Å
463	E	86.7	Confident	80.4	Confident	104 Å²	104	47.1 Å²	47.1	49%	0.486	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	120	165.8	-68.1	176.5	-162.1	0	0	109.6	R274 K445 L469	R274-E463 IonicContact NH2-OE2 2.76Å; K445-E463 VanDerWaalsContact CD-O 3.26Å; K445-E463 WeakPolarHBondContact CD-O 3.43Å; K445-E463 VanDerWaalsContact CE-O 3.24Å; K445-E463 WeakPolarHBondContact CE-O 3.31Å; K445-E463 PolarHBondContact NZ-O 2.97Å; E463-L469 HydrophobicContact CG-CD1 4.31Å
464	L	89.7	Confident	81.2	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.021	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-88.4	150.5	177.6	-57.1	177.7	0	0	0	110.9	L336 V433 A443 K445 L462 P466 Q467 G468 L470	L336-L464 HydrophobicContact CD2-CD1 3.72Å; V433-L464 HydrophobicContact CG2-CD1 3.98Å; A443-L464 HydrophobicContact CB-CB 3.84Å; A443-L464 HydrophobicContact CB-CD1 3.76Å; A443-L464 HydrophobicContact CB-CG 4.43Å; K445-L464 HydrophobicContact CB-CD2 3.76Å; L462-L464 PolarHBondContact O-N 2.92Å; L464-P466 CarbonylContact O-C 3.55Å; L464-Q467 CarbonylContact O-C 3.58Å; L464-Q467 WeakPolarHBondContact O-CA 3.44Å; L464-Q467 PolarHBondContact O-N 3.43Å; L464-G468 PolarHBondContact N-O 2.67Å; L464-L470 HydrophobicContact CD1-CB 4.1Å; L464-L470 HydrophobicContact CD2-CB 3.7Å; L464-L470 HydrophobicContact CD2-CD2 4.1Å; L464-L470 HydrophobicContact CG-CB 3.97Å
465	E	90.6	Very high	82	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.019	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-96.9	132	176.6	-57.1	-62.5	170.1	0	0	110.8	R214 L218 S270 A443 L444	R214-E465 IonicContact CZ-OE1 3.27Å; R214-E465 IonicContact NE-OE1 3.92Å; R214-E465 PolarHBondContact NE-OE1 3.37Å; R214-E465 IonicContact NH2-OE1 3.35Å; R214-E465 PolarHBondContact NH2-OE1 3.21Å; L218-E465 HydrophobicContact CD2-CG 3.89Å; S270-E465 WeakPolarHBondContact CB-OE2 3.49Å; S270-E465 PolarHBondContact OG-OE2 3.39Å; A443-E465 CarbonylContact C-O 3.55Å; A443-E465 VanDerWaalsContact CA-O 3.28Å; A443-E465 WeakPolarHBondContact CA-O 3.42Å; L444-E465 HydrophobicContact CD1-CB 4.25Å; L444-E465 PolarHBondContact N-O 3.07Å; L444-E465 PolarHBondContact O-N 3.19Å
466	P	85.5	Confident	82.8	Confident	7 Å²	7	44.5 Å²	44.5	5%	0.045	21%	0.212	C	C	.	.	S	Bend	cis	-81.7	-21	-1.1	34.5	-36.7	0	0	0	113.6	L266 C269 Q273 L337 L464	L266-P466 HydrophobicContact CD2-CG 4.38Å; C269-P466 HydrophobicContact CB-CB 4.2Å; C269-P466 HydrophobicContact CB-CG 4.36Å; Q273-P466 PolarHBondContact OE1-O 3.3Å; L337-P466 HydrophobicContact CD2-CG 3.88Å; L464-P466 CarbonylContact O-C 3.55Å
467	Q	87.6	Confident	83	Confident	102 Å²	102	45.3 Å²	45.3	48%	0.477	22%	0.215	S	C	.	.	S	Bend	trans	-150.4	142.6	-178.5	-168.3	-174.1	-16.3	0	0	111	G335 L464	G335-Q467 WeakPolarHBondContact O-CG 3.48Å; L464-Q467 CarbonylContact O-C 3.58Å; L464-Q467 WeakPolarHBondContact O-CA 3.44Å; L464-Q467 PolarHBondContact O-N 3.43Å
468	G	87.5	Confident	82.6	Confident	15 Å²	15	43 Å²	43	16%	0.155	21%	0.214	C	C	.	.			trans	137.6	168.8	170.2	0	0	0	0	0	111.7	V334 G335 L464	V334-G468 WeakPolarHBondContact O-CA 3.41Å; G335-G468 WeakPolarHBondContact O-CA 3.45Å; L464-G468 PolarHBondContact N-O 2.67Å
469	L	88.7	Confident	82.5	Confident	44 Å²	44	41.4 Å²	41.4	23%	0.23	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.6	178.2	-157.7	78.2	0	0	0	109.2	C333 V334 Q461 E463	C333-L469 CarbonylContact C-O 3.58Å; C333-L469 WeakPolarHBondContact CA-O 3.49Å; C333-L469 VanDerWaalsContact CB-O 3.27Å; C333-L469 WeakPolarHBondContact CB-O 3.38Å; V334-L469 HydrophobicContact CG2-CB 3.91Å; V334-L469 HydrophobicContact CG2-CD2 4.38Å; V334-L469 PolarHBondContact N-O 2.83Å; V334-L469 PolarHBondContact O-N 2.86Å; Q461-L469 HydrophobicContact CG-CD1 3.8Å; Q461-L469 HydrophobicContact CG-CD2 3.71Å; Q461-L469 HydrophobicContact CG-CG 3.82Å; E463-L469 HydrophobicContact CG-CD1 4.31Å
470	L	90.3	Very high	81.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.7	174.6	174.9	72.8	0	0	0	109.2	L330 C333 W415 I431 L462 L464	L330-L470 HydrophobicContact CD2-CD1 4.46Å; L330-L470 HydrophobicContact CD2-CD2 4.24Å; C333-L470 HydrophobicContact CB-CD1 4.07Å; W415-L470 HydrophobicContact CZ3-CD1 3.89Å; I431-L470 HydrophobicContact CB-CD2 4.36Å; I431-L470 HydrophobicContact CD1-CD2 3.94Å; I431-L470 HydrophobicContact CG2-CD2 3.76Å; L462-L470 HydrophobicContact CB-CB 4.23Å; L462-L470 HydrophobicContact CD1-CD2 4.14Å; L462-L470 PolarHBondContact N-O 2.85Å; L462-L470 PolarHBondContact O-N 3.03Å; L464-L470 HydrophobicContact CD1-CB 4.1Å; L464-L470 HydrophobicContact CD2-CB 3.7Å; L464-L470 HydrophobicContact CD2-CD2 4.1Å; L464-L470 HydrophobicContact CG-CB 3.97Å
471	L	89.5	Confident	80.7	Confident	35 Å²	35	36 Å²	36	18%	0.183	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	117.8	171.4	-67.7	171.2	0	0	0	108.5	L331 G332 E412 Q461	L331-L471 HydrophobicContact CB-CB 4.04Å; L331-L471 WeakPolarHBondContact CB-O 3.48Å; L331-L471 HydrophobicContact CD1-CB 4.27Å; L331-L471 PolarHBondContact N-O 3.19Å; G332-L471 PolarHBondContact O-N 2.88Å; E412-L471 HydrophobicContact CB-CD1 3.89Å; E412-L471 HydrophobicContact CG-CD1 4.28Å; Q461-L471 HydrophobicContact CB-CD2 4.42Å; Q461-L471 HydrophobicContact CG-CD2 4.06Å
472	A	87.9	Confident	79.1	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.008	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	155.1	179.4	0	0	0	0	0	111.3	R329 L330 V460 L462	R329-A472 CarbonylContact O-C 3.54Å; R329-A472 VanDerWaalsContact O-CA 3.27Å; R329-A472 WeakPolarHBondContact O-CA 3.44Å; L330-A472 HydrophobicContact CD2-CB 3.63Å; V460-A472 HydrophobicContact CG2-CB 4.13Å; V460-A472 WeakPolarHBondContact CG2-O 3.32Å; V460-A472 PolarHBondContact N-O 2.9Å; V460-A472 PolarHBondContact O-N 3.33Å; V460-A472 VanDerWaalsContact O-N 3.1Å; L462-A472 HydrophobicContact CD1-CB 4.24Å
473	E	85.2	Confident	77.2	Confident	18 Å²	18	37 Å²	37	8%	0.084	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.8	168	-48.3	177.9	154.9	0	0	108.6	V328 R329 L331 R457 H458 Q459	V328-E473 WeakPolarHBondContact CA-O 3.28Å; R329-E473 HydrophobicContact CB-CB 4.21Å; R329-E473 WeakPolarHBondContact CD-OE2 3.35Å; R329-E473 PolarHBondContact N-O 3.46Å; R329-E473 IonicContact NH1-OE2 3.57Å; R329-E473 PolarHBondContact NH1-OE2 3.13Å; R329-E473 PolarHBondContact O-N 3.32Å; L331-E473 HydrophobicContact CD1-CG 4.17Å; R457-E473 HydrophobicContact CG-CB 4.41Å; R457-E473 IonicContact CZ-OE1 3.91Å; R457-E473 IonicContact CZ-OE2 3.73Å; R457-E473 IonicContact NE-OE1 2.68Å; R457-E473 IonicContact NE-OE2 3.52Å; R457-E473 PolarHBondContact NE-OE2 2.98Å; R457-E473 IonicContact NH2-OE1 2.73Å; R457-E473 PolarHBondContact NH2-OE1 3.42Å; R457-E473 IonicContact NH2-OE2 3.68Å; R457-E473 PolarHBondContact NH2-OE2 3.49Å; H458-E473 CarbonylContact O-C 3.55Å; H458-E473 VanDerWaalsContact O-CA 3.26Å; H458-E473 WeakPolarHBondContact O-CA 3.34Å; Q459-E473 HydrophobicContact CG-CG 4.47Å
474	V	83.5	Confident	75.1	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.4	-177.8	-176.8	0	0	0	0	109	L326 Q327 V328 F452 H458 V460	L326-V474 HydrophobicContact CD1-CG1 3.72Å; L326-V474 HydrophobicContact CG-CG1 4.39Å; Q327-V474 WeakPolarHBondContact O-CA 3.4Å; V328-V474 HydrophobicContact CG1-CG2 4.47Å; F452-V474 HydrophobicContact CB-CG1 4.42Å; F452-V474 HydrophobicContact CD1-CB 3.84Å; F452-V474 HydrophobicContact CD1-CG1 3.68Å; F452-V474 HydrophobicContact CD2-CG1 4.27Å; F452-V474 HydrophobicContact CE1-CB 3.79Å; F452-V474 HydrophobicContact CE1-CG1 3.96Å; F452-V474 HydrophobicContact CE1-CG2 4.18Å; F452-V474 HydrophobicContact CG-CG1 3.85Å; F452-V474 HydrophobicContact CZ-CB 4.42Å; F452-V474 HydrophobicContact CZ-CG1 4.39Å; F452-V474 HydrophobicContact CZ-CG2 4.42Å; H458-V474 PolarHBondContact N-O 2.84Å; H458-V474 PolarHBondContact O-N 2.86Å; V460-V474 HydrophobicContact CG2-CG2 4.02Å
475	T	79.5	Confident	72.7	Confident	12 Å²	12	42.2 Å²	42.2	7%	0.074	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.4	175.5	-46.9	0	0	0	0	108.4	Q327 F477	Q327-T475 PolarHBondContact N-O 2.89Å; Q327-T475 PolarHBondContact O-N 3.2Å; T475-F477 HydrophobicContact CG2-CD1 4.41Å; T475-F477 HydrophobicContact CG2-CD2 4.35Å; T475-F477 HydrophobicContact CG2-CE1 3.83Å; T475-F477 HydrophobicContact CG2-CE2 3.77Å; T475-F477 HydrophobicContact CG2-CZ 3.48Å; T475-F477 VanDerWaalsContact CG2-CZ 3.48Å
476	F	78.4	Confident	70.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	114.7	175.8	-164.9	176.2	0	0	0	109.3	L322 L326 L423 F452 L453 N455 P479	L322-F476 HydrophobicContact CB-CE1 4.14Å; L322-F476 HydrophobicContact CB-CZ 4.09Å; L322-F476 HydrophobicContact CD1-CE1 4.1Å; L322-F476 HydrophobicContact CD2-CE1 4.47Å; L322-F476 HydrophobicContact CG-CE1 4.46Å; L326-F476 HydrophobicContact CD1-CB 3.88Å; L326-F476 HydrophobicContact CD1-CD2 4.37Å; L326-F476 HydrophobicContact CD1-CG 4.03Å; L423-F476 HydrophobicContact CD1-CD2 4.43Å; L423-F476 HydrophobicContact CD1-CE1 4.17Å; L423-F476 HydrophobicContact CD1-CE2 3.71Å; L423-F476 HydrophobicContact CD1-CZ 3.55Å; F452-F476 HydrophobicContact CB-CB 4.28Å; F452-F476 WeakPolarHBondContact O-CB 3.43Å; L453-F476 HydrophobicContact CD2-CD1 4.24Å; L453-F476 HydrophobicContact CD2-CE1 4Å; N455-F476 WeakPolarHBondContact CA-O 3.25Å; N455-F476 PolarHBondContact OD1-O 3.07Å; N455-F476 VanDerWaalsContact OD1-O 3.09Å; F476-P479 HydrophobicContact CD1-CB 3.92Å; F476-P479 HydrophobicContact CD2-CB 4.3Å; F476-P479 HydrophobicContact CE1-CB 3.58Å; F476-P479 HydrophobicContact CE2-CB 3.98Å; F476-P479 HydrophobicContact CG-CB 4.27Å; F476-P479 HydrophobicContact CZ-CB 3.6Å
477	F	70.1	Confident	69.1	Low	80 Å²	80	45.8 Å²	45.8	35%	0.351	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.8	175.1	-60.6	-78.7	0	0	0	111.3	T325 Q327 T475	T325-F477 PolarHBondContact N-O 3.34Å; T325-F477 VanDerWaalsContact N-O 3.09Å; T325-F477 PolarHBondContact O-N 3.35Å; Q327-F477 HydrophobicContact CB-CD2 4.24Å; Q327-F477 HydrophobicContact CB-CE2 3.73Å; T475-F477 HydrophobicContact CG2-CD1 4.41Å; T475-F477 HydrophobicContact CG2-CD2 4.35Å; T475-F477 HydrophobicContact CG2-CE1 3.83Å; T475-F477 HydrophobicContact CG2-CE2 3.77Å; T475-F477 HydrophobicContact CG2-CZ 3.48Å; T475-F477 VanDerWaalsContact CG2-CZ 3.48Å
478	N	62.8	Low	67.3	Low	103 Å²	103	45.9 Å²	45.9	55%	0.551	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	51.7	52.6	173.7	-58	-47.1	0	0	0	114.3	V480	N478-V480 PolarHBondContact O-N 3.21Å
479	P	66.6	Low	65.8	Low	8 Å²	8	48.3 Å²	48.3	5%	0.052	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	115.3	175.8	25.6	-33.9	0	0	0	110.2	K181 L453 N455 F476	K181-P479 WeakPolarHBondContact CE-O 3.45Å; K181-P479 PolarHBondContact NZ-O 2.86Å; L453-P479 HydrophobicContact CD2-CB 3.68Å; L453-P479 HydrophobicContact CD2-CG 4.27Å; N455-P479 WeakPolarHBondContact OD1-CD 3.13Å; F476-P479 HydrophobicContact CD1-CB 3.92Å; F476-P479 HydrophobicContact CD2-CB 4.3Å; F476-P479 HydrophobicContact CE1-CB 3.58Å; F476-P479 HydrophobicContact CE2-CB 3.98Å; F476-P479 HydrophobicContact CG-CB 4.27Å; F476-P479 HydrophobicContact CZ-CB 3.6Å
480	V	58.4	Low	64.3	Low	48 Å²	48	46.8 Å²	46.8	29%	0.291	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.8	169	177.8	0	0	0	0	106.7	T323 N478 E482	T323-V480 PolarHBondContact N-O 2.87Å; T323-V480 PolarHBondContact O-N 3.31Å; T323-V480 VanDerWaalsContact O-O 3.14Å; N478-V480 PolarHBondContact O-N 3.21Å; V480-E482 PolarHBondContact O-N 3.4Å
481	I	59.1	Low	62.4	Low	17 Å²	17	55.1 Å²	55.1	9%	0.087	26%	0.255	C	S	.	.			trans	-98.2	98.3	-179	-40.1	-170.2	0	0	0	108	I184 L322 L453 R483	I184-I481 HydrophobicContact CB-CD1 4.06Å; I184-I481 HydrophobicContact CD1-CB 4Å; I184-I481 HydrophobicContact CD1-CD1 3.73Å; I184-I481 HydrophobicContact CD1-CG1 4.43Å; I184-I481 HydrophobicContact CD1-CG2 3.56Å; I184-I481 HydrophobicContact CG1-CD1 4.49Å; I184-I481 HydrophobicContact CG2-CD1 3.71Å; L322-I481 HydrophobicContact CD2-CB 4.05Å; L322-I481 HydrophobicContact CD2-CD1 3.93Å; L322-I481 HydrophobicContact CD2-CG1 3.54Å; L322-I481 HydrophobicContact CD2-CG2 3.84Å; L453-I481 HydrophobicContact CD1-CD1 3.92Å; L453-I481 HydrophobicContact CD2-CD1 4.03Å; I481-R483 PolarHBondContact O-N 3.13Å; I481-R483 VanDerWaalsContact O-N 3.14Å
482	E	49.3	Very low	60.6	Low	78 Å²	78	56.6 Å²	56.6	36%	0.364	26%	0.26	S	S	.	.			trans	-69.5	106.3	168.4	-73.7	176.7	-133.2	0	0	107.9	P321 T323 R425 V480 G484	P321-E482 WeakPolarHBondContact CG-O 3.18Å; T323-E482 PolarHBondContact OG1-OE1 3.17Å; R425-E482 VanDerWaalsContact CD-OE2 3.31Å; R425-E482 WeakPolarHBondContact CD-OE2 3.45Å; R425-E482 VanDerWaalsContact CG-OE2 3.23Å; R425-E482 WeakPolarHBondContact CG-OE2 3.27Å; R425-E482 IonicContact NE-OE2 3.45Å; V480-E482 PolarHBondContact O-N 3.4Å; E482-G484 PolarHBondContact O-N 2.97Å
483	R	44.8	Very low	58.4	Low	96 Å²	96	59.4 Å²	59.4	36%	0.362	28%	0.277	S	S	.	.			trans	-57	142.5	165.6	-68.9	-159.3	-172.5	-175.1	2.8	108	T180 D183 I481 R485	T180-R483 HydrophobicContact CG2-CG 3.76Å; D183-R483 IonicContact OD2-NH2 2.8Å; D183-R483 PolarHBondContact OD2-NH2 2.83Å; I481-R483 PolarHBondContact O-N 3.13Å; I481-R483 VanDerWaalsContact O-N 3.14Å; R483-R485 PolarHBondContact O-N 2.88Å
484	G	42.4	Very low	56.8	Low	36 Å²	36	59.2 Å²	59.2	37%	0.371	28%	0.276	S	S	.	.	S	Bend	trans	-47.9	141.4	154.1	0	0	0	0	0	108.2	E482 R486	E482-G484 PolarHBondContact O-N 2.97Å; G484-R486 PolarHBondContact O-N 3.45Å
485	R	38.1	Very low	55.1	Low	181 Å²	181	59.7 Å²	59.7	68%	0.683	28%	0.28	S	S	*	.			trans	-50.7	114.9	-168.6	-64.6	176.6	179.2	-149.1	9.8	109.7	R483 L487 Q488	R483-R485 PolarHBondContact O-N 2.88Å; R485-L487 PolarHBondContact O-N 3.08Å; R485-Q488 HydrophobicContact CB-CG 4.27Å
486	R	49.4	Very low	53.6	Low	77 Å²	77	61 Å²	61	29%	0.291	28%	0.284	S	S	.	.			trans	-51.7	140.2	167.4	-61.8	-174.6	-173.3	-157.4	-0.9	107.4	G484 Q488	G484-R486 PolarHBondContact O-N 3.45Å; R486-Q488 VanDerWaalsContact O-CG 3.29Å; R486-Q488 WeakPolarHBondContact O-CG 3.31Å; R486-Q488 PolarHBondContact O-N 3.46Å
487	L	51.5	Low	52	Low	10 Å²	10	65.2 Å²	65.2	5%	0.052	30%	0.304	C	S	.	.			trans	-34.9	107.4	-176.2	-71.7	165.1	0	0	0	111.6	R485 M720 I723 H724 L759 E823 G827	R485-L487 PolarHBondContact O-N 3.08Å; L487-M720 HydrophobicContact CB-CE 4.29Å; L487-M720 HydrophobicContact CB-SD 3.97Å; L487-I723 HydrophobicContact CD1-CD1 4.24Å; L487-I723 HydrophobicContact CD1-CG2 4.4Å; L487-H724 PolarHBondContact O-CE1 3.29Å; L487-H724 PolarHBondContact O-NE2 3.32Å; L487-L759 HydrophobicContact CD1-CD1 4.04Å; L487-E823 HydrophobicContact CD1-CB 3.86Å; L487-E823 HydrophobicContact CD1-CG 4.04Å; L487-E823 HydrophobicContact CD2-CG 3.89Å; L487-E823 WeakPolarHBondContact CD2-OE1 3.33Å; L487-G827 WeakPolarHBondContact CG-O 3.27Å
488	Q	50.7	Low	50.4	Low	103 Å²	103	67.8 Å²	67.8	48%	0.481	32%	0.317	S	S	.	.			trans	-89.3	150.3	179	-58.8	-167.2	-34.1	0	0	108.4	R485 R486 Q490	R485-Q488 HydrophobicContact CB-CG 4.27Å; R486-Q488 VanDerWaalsContact O-CG 3.29Å; R486-Q488 WeakPolarHBondContact O-CG 3.31Å; R486-Q488 PolarHBondContact O-N 3.46Å; Q488-Q490 WeakPolarHBondContact O-CG 3.07Å; Q488-Q490 PolarHBondContact O-N 3.12Å
489	R	56.3	Low	49.3	Very low	67 Å²	67	67.4 Å²	67.4	25%	0.253	34%	0.337	S	S	.	.			trans	-49.4	115.3	174.4	-75.4	-166.9	172.8	-77.7	4.9	110.9	K491 D718 M720 D760 D921	R489-K491 PolarHBondContact O-N 3.22Å; R489-D718 IonicContact CZ-OD1 2.69Å; R489-D718 IonicContact CZ-OD2 2.96Å; R489-D718 VanDerWaalsContact CZ-OD2 3.28Å; R489-D718 IonicContact NH1-OD1 3.74Å; R489-D718 PolarHBondContact NH1-OD1 3.05Å; R489-D718 IonicContact NH1-OD2 3.93Å; R489-D718 PolarHBondContact NH1-OD2 2.78Å; R489-D718 IonicContact NH2-OD1 3.77Å; R489-D718 IonicContact NH2-OD2 3.85Å; R489-D718 PolarHBondContact NH2-OD2 2.92Å; R489-M720 HydrophobicContact CG-CG 4.31Å; R489-D760 IonicContact CZ-OD1 3.21Å; R489-D760 IonicContact NH1-OD1 2.65Å; R489-D760 PolarHBondContact NH1-OD1 2.82Å; R489-D921 IonicContact CZ-OD2 3.43Å; R489-D921 IonicContact NE-OD2 2.73Å; R489-D921 PolarHBondContact NE-OD2 3.23Å; R489-D921 IonicContact NH2-OD2 2.74Å
490	Q	56.6	Low	48	Very low	11 Å²	11	75.4 Å²	75.4	5%	0.051	37%	0.371	C	S	.	.			trans	-82.1	119.2	-164.3	-69.9	166.4	-19.9	0	0	110.8	Q488 K492 M720 K758 D760 T794 E796 E823	Q488-Q490 WeakPolarHBondContact O-CG 3.07Å; Q488-Q490 PolarHBondContact O-N 3.12Å; Q490-K492 PolarHBondContact O-N 2.83Å; Q490-M720 HydrophobicContact CG-CE 4.34Å; Q490-K758 HydrophobicContact CB-CD 4.43Å; Q490-K758 PolarHBondContact O-NZ 2.85Å; Q490-D760 PolarHBondContact N-OD2 3.09Å; Q490-T794 HydrophobicContact CB-CG2 3.56Å; Q490-T794 HydrophobicContact CG-CG2 4.3Å; Q490-E796 PolarHBondContact NE2-OE2 2.89Å; Q490-E823 PolarHBondContact NE2-OE1 3.19Å
491	K	51	Low	47.2	Very low	176 Å²	176	77.5 Å²	77.5	77%	0.765	39%	0.393	S	S	*	.			trans	-73.4	127.9	-179.8	-67.2	177	-178.3	172.3	0	110.1	R489 V493	R489-K491 PolarHBondContact O-N 3.22Å; K491-V493 PolarHBondContact O-N 3.34Å; K491-V493 VanDerWaalsContact O-N 3.1Å
492	K	50.7	Low	46.9	Very low	66 Å²	66	81.3 Å²	81.3	29%	0.287	41%	0.409	S	S	.	.			trans	-70.9	103.4	167.5	-54.4	-167.4	-161.3	-165	0	107.9	Q490 D756 D774 L777	Q490-K492 PolarHBondContact O-N 2.83Å; K492-D756 WeakPolarHBondContact CE-OD2 3.37Å; K492-D756 IonicContact NZ-OD2 3.89Å; K492-D756 PolarHBondContact NZ-OD2 3.33Å; K492-D774 IonicContact NZ-OD2 3.76Å; K492-D774 PolarHBondContact NZ-OD2 3.08Å; K492-L777 HydrophobicContact CD-CD1 4.48Å
493	V	43	Very low	47.2	Very low	59 Å²	59	81.9 Å²	81.9	36%	0.358	41%	0.414	S	S	.	.			trans	-79.2	-35.1	-178.2	-176.2	0	0	0	0	111.3	K491 P795 E836	K491-V493 PolarHBondContact O-N 3.34Å; K491-V493 VanDerWaalsContact O-N 3.1Å; V493-P795 HydrophobicContact CB-CG 4.1Å; V493-P795 HydrophobicContact CG2-CG 3.68Å; V493-E836 WeakPolarHBondContact CG2-OE1 3.36Å
494	F	51.2	Low	48.3	Very low	14 Å²	14	77.7 Å²	77.7	6%	0.061	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-116.7	116.4	-174.8	-52.9	-76	0	0	0	111.6	L519 I523 F791 P795 F840	F494-L519 HydrophobicContact CE1-CD2 3.7Å; F494-L519 HydrophobicContact CZ-CD2 3.86Å; F494-I523 HydrophobicContact CD1-CD1 4.39Å; F494-I523 HydrophobicContact CE1-CD1 3.82Å; F494-F791 HydrophobicContact CB-CD1 4.28Å; F494-F791 HydrophobicContact CB-CE1 4.4Å; F494-F791 HydrophobicContact CD1-CD1 4.34Å; F494-F791 HydrophobicContact CD1-CE1 4.1Å; F494-F791 HydrophobicContact CD2-CD1 4.44Å; F494-F791 AromaticContact CD2-CE1 3.74Å; F494-F791 HydrophobicContact CD2-CE1 3.74Å; F494-F791 HydrophobicContact CE1-CE1 4.37Å; F494-F791 HydrophobicContact CE2-CE1 4.06Å; F494-F791 HydrophobicContact CG-CD1 4.07Å; F494-F791 AromaticContact CG-CE1 3.78Å; F494-F791 HydrophobicContact CG-CE1 3.78Å; F494-F791 HydrophobicContact CZ-CE1 4.36Å; F494-P795 HydrophobicContact CE2-CG 4.42Å; F494-F840 HydrophobicContact CE2-CE2 4.41Å; F494-F840 AromaticContact CE2-CZ 3.96Å; F494-F840 HydrophobicContact CE2-CZ 3.96Å
495	S	47.8	Very low	49.1	Very low	12 Å²	12	76 Å²	76	8%	0.084	38%	0.382	C	S	.	.			trans	-82.7	-169.9	162.6	85.8	0	0	0	0	111	Q497 F642 E672	S495-Q497 PolarHBondContact O-N 3.37Å; S495-F642 VanDerWaalsContact CB-CZ 3.44Å; S495-E672 WeakPolarHBondContact CB-OE1 3.34Å; S495-E672 PolarHBondContact OG-OE1 2.66Å
496	K	47.1	Very low	50	Low	40 Å²	40	75.7 Å²	75.7	17%	0.174	38%	0.38	C	S	.	.	S	Bend	trans	-74.5	47.7	176.6	-63	-179.1	-173.5	173	0	111.1	H498 E672 S675 G776 L777 C778 T790	K496-H498 PolarHBondContact O-N 3.2Å; K496-E672 PolarHBondContact N-OE1 3.5Å; K496-S675 WeakPolarHBondContact CD-OG 3.29Å; K496-S675 WeakPolarHBondContact CE-OG 3.3Å; K496-S675 PolarHBondContact NZ-OG 2.86Å; K496-G776 VanDerWaalsContact CE-O 3.28Å; K496-G776 WeakPolarHBondContact CE-O 3.46Å; K496-G776 PolarHBondContact NZ-O 2.96Å; K496-L777 HydrophobicContact CG-CD2 4.18Å; K496-C778 PolarHBondContact NZ-O 3.13Å; K496-T790 HydrophobicContact CB-CG2 4.35Å; K496-T790 HydrophobicContact CG-CG2 4.25Å
497	Q	44.3	Very low	50.5	Low	88 Å²	88	76 Å²	76	41%	0.411	39%	0.385	S	S	.	.			trans	-69.9	105.7	-169.1	-139.3	178.2	-4.7	0	0	110.6	S495	S495-Q497 PolarHBondContact O-N 3.37Å
498	H	37.8	Very low	50.8	Low	134 Å²	134	79.3 Å²	79.3	62%	0.62	40%	0.401	S	S	*	.			trans	67.7	120.1	172.1	-58.3	-24.8	0	0	0	117.3	K496 K500	K496-H498 PolarHBondContact O-N 3.2Å; H498-K500 HydrophobicContact CB-CB 4.46Å; H498-K500 PolarHBondContact O-N 2.88Å
499	G	38.5	Very low	51.4	Low	95 Å²	95	81.7 Å²	81.7	98%	0.979	42%	0.417	S	S	*	.	S	Bend	trans	-67.2	25.6	160.4	0	0	0	0	0	114.8
500	K	39.1	Very low	51.9	Low	175 Å²	175	80.5 Å²	80.5	76%	0.761	42%	0.417	S	S	*	.	S	Bend	trans	-102.1	116.9	165.4	-69.5	-173.4	179.2	-179	0	106.9	H498 F502	H498-K500 HydrophobicContact CB-CB 4.46Å; H498-K500 PolarHBondContact O-N 2.88Å; K500-F502 PolarHBondContact O-N 3.35Å
501	A	43.3	Very low	52.3	Low	92 Å²	92	84.2 Å²	84.2	76%	0.76	44%	0.437	S	S	*	.			trans	-59.3	104.2	-179.6	0	0	0	0	0	110.5	L503	A501-L503 PolarHBondContact O-N 3.27Å
502	F	52.3	Low	53	Low	97 Å²	97	76.6 Å²	76.6	43%	0.425	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-66.2	125.1	167.1	-154.7	-83.1	0	0	0	107.2	K500 R504 W515 L519 A522	K500-F502 PolarHBondContact O-N 3.35Å; F502-R504 PolarHBondContact O-N 3.15Å; F502-W515 HydrophobicContact CD1-CZ2 4.1Å; F502-W515 AromaticContact CD1-NE1 3.84Å; F502-W515 HydrophobicContact CE1-CZ2 4.46Å; F502-W515 AromaticContact CE1-NE1 3.75Å; F502-L519 HydrophobicContact CD1-CD1 3.73Å; F502-L519 HydrophobicContact CD2-CD1 4.3Å; F502-L519 HydrophobicContact CE1-CB 4.47Å; F502-L519 HydrophobicContact CE1-CD1 3.54Å; F502-L519 HydrophobicContact CE2-CD1 4.13Å; F502-L519 HydrophobicContact CG-CD1 4.12Å; F502-L519 HydrophobicContact CZ-CD1 3.76Å; F502-A522 HydrophobicContact CE2-CB 4.09Å; F502-A522 HydrophobicContact CZ-CB 4.27Å
503	L	54.6	Low	53.5	Low	90 Å²	90	74.5 Å²	74.5	47%	0.471	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-65.4	118.7	179.7	-65.5	172.7	0	0	0	107.9	A501 Q507 M508 W515	A501-L503 PolarHBondContact O-N 3.27Å; L503-Q507 HydrophobicContact CB-CB 4.06Å; L503-Q507 HydrophobicContact CD2-CB 4.02Å; L503-M508 HydrophobicContact CB-CG 3.52Å; L503-M508 HydrophobicContact CB-SD 4.11Å; L503-M508 HydrophobicContact CD1-CG 4.42Å; L503-W515 PolarHBondContact O-NE1 3.32Å
504	R	68.1	Low	54.6	Low	9 Å²	9	74.1 Å²	74.1	3%	0.034	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-71.1	165.4	177.9	-50.6	-148.4	-162.5	147.3	-13.3	110.7	F502 R506 Q507 M508 S789 E801 V802 L803 D805	F502-R504 PolarHBondContact O-N 3.15Å; R504-R506 VanDerWaalsContact C-N 3.29Å; R504-R506 PolarHBondContact O-N 3.42Å; R504-R506 VanDerWaalsContact O-N 3.13Å; R504-Q507 WeakPolarHBondContact O-CA 3.38Å; R504-Q507 WeakPolarHBondContact O-CB 3.32Å; R504-Q507 PolarHBondContact O-N 3.13Å; R504-M508 PolarHBondContact O-N 2.91Å; R504-M508 VanDerWaalsContact O-N 3.1Å; R504-S789 PolarHBondContact NH2-O 3.27Å; R504-E801 PolarHBondContact NH1-O 2.79Å; R504-V802 WeakPolarHBondContact CD-O 3.4Å; R504-V802 PolarHBondContact NE-O 2.87Å; R504-V802 PolarHBondContact NH1-O 2.6Å; R504-L803 WeakPolarHBondContact CD-O 3.41Å; R504-D805 WeakPolarHBondContact CD-O 3.3Å; R504-D805 WeakPolarHBondContact CG-O 3.3Å; R504-D805 VanDerWaalsContact CZ-O 3.25Å; R504-D805 PolarHBondContact NE-O 3.11Å; R504-D805 PolarHBondContact NH1-O 3.05Å
505	A	59	Low	55.6	Low	1 Å²	1	73.7 Å²	73.7	1%	0.008	40%	0.396	C	S	.	.	H	α-helix	trans	-46.2	-48.6	-175.9	0	0	0	0	0	113.5	Q507 M508 N509 V510 I512 W515	A505-Q507 VanDerWaalsContact C-N 3.35Å; A505-Q507 PolarHBondContact O-N 2.99Å; A505-M508 PolarHBondContact O-N 2.86Å; A505-N509 PolarHBondContact O-N 2.9Å; A505-V510 CarbonylContact C-O 3.54Å; A505-V510 WeakPolarHBondContact CB-O 3.5Å; A505-V510 PolarHBondContact O-N 3.01Å; A505-V510 VanDerWaalsContact O-N 3.08Å; A505-I512 HydrophobicContact CB-CD1 3.7Å; A505-I512 HydrophobicContact CB-CG1 4.33Å; A505-W515 HydrophobicContact CB-CB 3.65Å; A505-W515 HydrophobicContact CB-CD2 4.17Å; A505-W515 HydrophobicContact CB-CG 3.72Å
506	R	58.1	Low	56.3	Low	173 Å²	173	73.6 Å²	73.6	65%	0.653	40%	0.395	S	S	*	.	H	α-helix	trans	-61.4	-34.8	174.7	-76	-173.4	160.7	167.3	-8.7	114.5	R504 M508 N509 T804 D805	R504-R506 VanDerWaalsContact C-N 3.29Å; R504-R506 PolarHBondContact O-N 3.42Å; R504-R506 VanDerWaalsContact O-N 3.13Å; R506-M508 VanDerWaalsContact C-N 3.32Å; R506-N509 PolarHBondContact O-N 3.3Å; R506-T804 WeakPolarHBondContact CB-O 3.43Å; R506-T804 WeakPolarHBondContact CD-O 3.28Å; R506-D805 IonicContact NH1-OD1 3.49Å; R506-D805 PolarHBondContact NH1-OD1 3.01Å
507	Q	59.7	Low	57.2	Low	85 Å²	85	77.6 Å²	77.6	40%	0.397	41%	0.409	S	S	.	.	H	α-helix	trans	-75.2	-23.7	178.7	-57.7	-177.7	-81.4	0	0	112.4	L503 R504 A505 T806	L503-Q507 HydrophobicContact CB-CB 4.06Å; L503-Q507 HydrophobicContact CD2-CB 4.02Å; R504-Q507 WeakPolarHBondContact O-CA 3.38Å; R504-Q507 WeakPolarHBondContact O-CB 3.32Å; R504-Q507 PolarHBondContact O-N 3.13Å; A505-Q507 VanDerWaalsContact C-N 3.35Å; A505-Q507 PolarHBondContact O-N 2.99Å; Q507-T806 HydrophobicContact CG-CG2 4.14Å
508	M	58.3	Low	58.1	Low	78 Å²	78	77.2 Å²	77.2	38%	0.384	41%	0.409	S	S	.	.	H	α-helix	trans	-90	-10.3	173.5	-57.2	-170	77.9	0	0	112.7	L503 R504 A505 R506 V510 L518	L503-M508 HydrophobicContact CB-CG 3.52Å; L503-M508 HydrophobicContact CB-SD 4.11Å; L503-M508 HydrophobicContact CD1-CG 4.42Å; R504-M508 PolarHBondContact O-N 2.91Å; R504-M508 VanDerWaalsContact O-N 3.1Å; A505-M508 PolarHBondContact O-N 2.86Å; R506-M508 VanDerWaalsContact C-N 3.32Å; M508-V510 VanDerWaalsContact C-N 3.34Å; M508-V510 HydrophobicContact CB-CB 4.25Å; M508-V510 HydrophobicContact CB-CG2 3.88Å; M508-L518 HydrophobicContact CE-CD1 4.42Å
509	N	63.9	Low	59.2	Low	153 Å²	153	71.4 Å²	71.4	82%	0.818	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	46.1	-169.2	-165.7	57.3	0	0	0	112.6	A505 R506	A505-N509 PolarHBondContact O-N 2.9Å; R506-N509 PolarHBondContact O-N 3.3Å
510	V	66.6	Low	60.1	Low	43 Å²	43	74 Å²	74	26%	0.261	36%	0.362	S	S	.	.			trans	-126.7	149.4	-177.1	177.5	0	0	0	0	108.6	A505 M508 T514 W515	A505-V510 CarbonylContact C-O 3.54Å; A505-V510 WeakPolarHBondContact CB-O 3.5Å; A505-V510 PolarHBondContact O-N 3.01Å; A505-V510 VanDerWaalsContact O-N 3.08Å; M508-V510 VanDerWaalsContact C-N 3.34Å; M508-V510 HydrophobicContact CB-CB 4.25Å; M508-V510 HydrophobicContact CB-CG2 3.88Å; V510-T514 VanDerWaalsContact CG1-CB 3.41Å; V510-T514 HydrophobicContact CG1-CG2 3.5Å; V510-W515 HydrophobicContact CG1-CB 4.47Å
511	D	64.9	Low	60.7	Low	88 Å²	88	71.8 Å²	71.8	47%	0.471	36%	0.359	S	S	.	.			trans	-64.3	160.9	172.5	55.4	76.2	0	0	0	112.5	A513 T514 W515	D511-A513 VanDerWaalsContact C-N 3.31Å; D511-A513 PolarHBondContact O-N 3.35Å; D511-A513 WeakPolarHBondContact OD1-CB 3.31Å; D511-A513 PolarHBondContact OD1-N 2.94Å; D511-T514 WeakPolarHBondContact OD1-CB 3.47Å; D511-T514 PolarHBondContact OD1-N 2.85Å; D511-T514 PolarHBondContact OD1-OG1 2.93Å; D511-T514 PolarHBondContact OD2-OG1 3.28Å; D511-W515 WeakPolarHBondContact O-CB 3.37Å; D511-W515 PolarHBondContact O-N 3.44Å
512	I	64.6	Low	60.7	Low	17 Å²	17	70.4 Å²	70.4	9%	0.087	35%	0.348	C	S	.	.	H	α-helix	trans	-59.1	-45.6	-178.3	-103.3	70.9	0	0	0	110.4	A505 T514 W515 V516 T804 F840 D841 V844	A505-I512 HydrophobicContact CB-CD1 3.7Å; A505-I512 HydrophobicContact CB-CG1 4.33Å; I512-T514 PolarHBondContact O-N 3.31Å; I512-W515 WeakPolarHBondContact O-CB 3.16Å; I512-W515 PolarHBondContact O-N 3.02Å; I512-V516 HydrophobicContact CG2-CG2 4.45Å; I512-V516 VanDerWaalsContact O-CG2 3.25Å; I512-V516 WeakPolarHBondContact O-CG2 3.39Å; I512-V516 PolarHBondContact O-N 2.91Å; I512-T804 HydrophobicContact CD1-CG2 4.49Å; I512-F840 HydrophobicContact CG2-CB 3.93Å; I512-D841 HydrophobicContact CG2-CB 4.03Å; I512-V844 HydrophobicContact CD1-CG1 4.42Å; I512-V844 HydrophobicContact CD1-CG2 4.33Å; I512-V844 HydrophobicContact CG1-CG2 4.25Å
513	A	60.6	Low	60	Low	21 Å²	21	68.1 Å²	68.1	17%	0.174	34%	0.339	C	S	.	.	H	α-helix	trans	-55.4	-52.6	-178.3	0	0	0	0	0	112.6	D511 W515 V516 R517 E837	D511-A513 VanDerWaalsContact C-N 3.31Å; D511-A513 PolarHBondContact O-N 3.35Å; D511-A513 WeakPolarHBondContact OD1-CB 3.31Å; D511-A513 PolarHBondContact OD1-N 2.94Å; A513-W515 PolarHBondContact O-N 3.43Å; A513-V516 PolarHBondContact O-N 3.42Å; A513-R517 WeakPolarHBondContact O-CG 3.49Å; A513-R517 PolarHBondContact O-N 3.43Å; A513-R517 VanDerWaalsContact O-N 3.07Å; A513-E837 HydrophobicContact CB-CG 3.98Å; A513-E837 VanDerWaalsContact CB-OE1 3.31Å; A513-E837 WeakPolarHBondContact CB-OE1 3.35Å
514	T	67.3	Low	59	Low	52 Å²	52	69.4 Å²	69.4	32%	0.319	35%	0.353	S	S	.	.	H	α-helix	trans	-69	-33.8	179.6	-56.9	0	0	0	0	111.8	V510 D511 I512 R517 L518	V510-T514 VanDerWaalsContact CG1-CB 3.41Å; V510-T514 HydrophobicContact CG1-CG2 3.5Å; D511-T514 WeakPolarHBondContact OD1-CB 3.47Å; D511-T514 PolarHBondContact OD1-N 2.85Å; D511-T514 PolarHBondContact OD1-OG1 2.93Å; D511-T514 PolarHBondContact OD2-OG1 3.28Å; I512-T514 PolarHBondContact O-N 3.31Å; T514-R517 PolarHBondContact O-N 2.78Å; T514-L518 WeakPolarHBondContact O-CG 3.09Å; T514-L518 PolarHBondContact O-N 3.43Å; T514-L518 VanDerWaalsContact O-N 3.09Å
515	W	72.3	Confident	57.3	Low	4 Å²	4	73.7 Å²	73.7	2%	0.015	38%	0.38	C	S	.	.	H	α-helix	trans	-63.7	-43.6	172.2	177.1	77.5	0	0	0	112.4	F502 L503 A505 V510 D511 I512 A513 R517 L518 L519 F791	F502-W515 HydrophobicContact CD1-CZ2 4.1Å; F502-W515 AromaticContact CD1-NE1 3.84Å; F502-W515 HydrophobicContact CE1-CZ2 4.46Å; F502-W515 AromaticContact CE1-NE1 3.75Å; L503-W515 PolarHBondContact O-NE1 3.32Å; A505-W515 HydrophobicContact CB-CB 3.65Å; A505-W515 HydrophobicContact CB-CD2 4.17Å; A505-W515 HydrophobicContact CB-CG 3.72Å; V510-W515 HydrophobicContact CG1-CB 4.47Å; D511-W515 WeakPolarHBondContact O-CB 3.37Å; D511-W515 PolarHBondContact O-N 3.44Å; I512-W515 WeakPolarHBondContact O-CB 3.16Å; I512-W515 PolarHBondContact O-N 3.02Å; A513-W515 PolarHBondContact O-N 3.43Å; W515-R517 VanDerWaalsContact C-N 3.35Å; W515-R517 PolarHBondContact O-N 2.85Å; W515-L518 WeakPolarHBondContact O-CB 3.47Å; W515-L518 PolarHBondContact O-N 3.23Å; W515-L519 HydrophobicContact CH2-CD1 4.24Å; W515-L519 HydrophobicContact CH2-CD2 4.21Å; W515-L519 HydrophobicContact CZ2-CD1 3.98Å; W515-L519 HydrophobicContact CZ3-CD2 4.43Å; W515-L519 WeakPolarHBondContact O-CB 3.38Å; W515-L519 PolarHBondContact O-N 2.92Å; W515-F791 AromaticContact CH2-CE2 3.99Å; W515-F791 HydrophobicContact CH2-CE2 3.99Å; W515-F791 HydrophobicContact CH2-CZ 4Å
516	V	61.9	Low	56.1	Low	11 Å²	11	76.9 Å²	76.9	7%	0.067	41%	0.414	C	S	.	.	H	α-helix	trans	-63.8	-39.5	176.9	173.6	0	0	0	0	111.2	I512 A513 L518 L519 R520 E837 F840	I512-V516 HydrophobicContact CG2-CG2 4.45Å; I512-V516 VanDerWaalsContact O-CG2 3.25Å; I512-V516 WeakPolarHBondContact O-CG2 3.39Å; I512-V516 PolarHBondContact O-N 2.91Å; A513-V516 PolarHBondContact O-N 3.42Å; V516-L518 VanDerWaalsContact C-N 3.34Å; V516-L518 PolarHBondContact O-N 3.47Å; V516-L519 WeakPolarHBondContact O-CB 3.29Å; V516-L519 PolarHBondContact O-N 2.9Å; V516-R520 WeakPolarHBondContact O-CB 3.33Å; V516-R520 PolarHBondContact O-N 2.93Å; V516-E837 HydrophobicContact CB-CB 4.45Å; V516-E837 HydrophobicContact CB-CG 4.08Å; V516-E837 HydrophobicContact CG1-CB 3.99Å; V516-E837 HydrophobicContact CG1-CG 4.14Å; V516-F840 HydrophobicContact CG1-CD2 4.43Å; V516-F840 HydrophobicContact CG2-CB 4.44Å; V516-F840 HydrophobicContact CG2-CD2 3.59Å; V516-F840 HydrophobicContact CG2-CE2 4.36Å; V516-F840 HydrophobicContact CG2-CG 4.47Å
517	R	65.5	Low	54.6	Low	124 Å²	124	73.7 Å²	73.7	47%	0.468	42%	0.418	S	S	.	.	H	α-helix	trans	-61.8	-40.3	173.9	-67.2	170.6	-172.3	172	2.4	112.3	A513 T514 W515 N521 E837	A513-R517 WeakPolarHBondContact O-CG 3.49Å; A513-R517 PolarHBondContact O-N 3.43Å; A513-R517 VanDerWaalsContact O-N 3.07Å; T514-R517 PolarHBondContact O-N 2.78Å; W515-R517 VanDerWaalsContact C-N 3.35Å; W515-R517 PolarHBondContact O-N 2.85Å; R517-N521 VanDerWaalsContact O-CG 3.26Å; R517-N521 PolarHBondContact O-N 3.42Å; R517-N521 PolarHBondContact O-ND2 3.11Å; R517-E837 WeakPolarHBondContact CG-OE2 3.4Å; R517-E837 IonicContact CZ-OE1 3.51Å; R517-E837 IonicContact CZ-OE2 3.14Å; R517-E837 VanDerWaalsContact NE-CD 3.26Å; R517-E837 IonicContact NE-OE1 3.55Å; R517-E837 PolarHBondContact NE-OE1 2.88Å; R517-E837 IonicContact NE-OE2 3.36Å; R517-E837 PolarHBondContact NE-OE2 2.79Å; R517-E837 IonicContact NH2-OE1 3.71Å; R517-E837 PolarHBondContact NH2-OE1 2.73Å; R517-E837 IonicContact NH2-OE2 3.13Å
518	L	64.3	Low	53	Low	79 Å²	79	76.8 Å²	76.8	41%	0.414	44%	0.437	S	S	.	.	H	α-helix	trans	-67.2	-42.3	174.5	-69.9	168.8	0	0	0	111.8	M508 T514 W515 V516 N521 A522	M508-L518 HydrophobicContact CE-CD1 4.42Å; T514-L518 WeakPolarHBondContact O-CG 3.09Å; T514-L518 PolarHBondContact O-N 3.43Å; T514-L518 VanDerWaalsContact O-N 3.09Å; W515-L518 WeakPolarHBondContact O-CB 3.47Å; W515-L518 PolarHBondContact O-N 3.23Å; V516-L518 VanDerWaalsContact C-N 3.34Å; V516-L518 PolarHBondContact O-N 3.47Å; L518-N521 PolarHBondContact O-N 3.49Å; L518-A522 PolarHBondContact O-N 3.02Å
519	L	60	Low	51.4	Low	12 Å²	12	80 Å²	80	6%	0.063	46%	0.461	C	S	.	.	H	α-helix	trans	-58.6	-48.1	174.6	-170.8	86.8	0	0	0	111.1	F494 F502 W515 V516 N521 A522 I523	F494-L519 HydrophobicContact CE1-CD2 3.7Å; F494-L519 HydrophobicContact CZ-CD2 3.86Å; F502-L519 HydrophobicContact CD1-CD1 3.73Å; F502-L519 HydrophobicContact CD2-CD1 4.3Å; F502-L519 HydrophobicContact CE1-CB 4.47Å; F502-L519 HydrophobicContact CE1-CD1 3.54Å; F502-L519 HydrophobicContact CE2-CD1 4.13Å; F502-L519 HydrophobicContact CG-CD1 4.12Å; F502-L519 HydrophobicContact CZ-CD1 3.76Å; W515-L519 HydrophobicContact CH2-CD1 4.24Å; W515-L519 HydrophobicContact CH2-CD2 4.21Å; W515-L519 HydrophobicContact CZ2-CD1 3.98Å; W515-L519 HydrophobicContact CZ3-CD2 4.43Å; W515-L519 WeakPolarHBondContact O-CB 3.38Å; W515-L519 PolarHBondContact O-N 2.92Å; V516-L519 WeakPolarHBondContact O-CB 3.29Å; V516-L519 PolarHBondContact O-N 2.9Å; L519-N521 VanDerWaalsContact C-N 3.31Å; L519-N521 PolarHBondContact O-N 3.43Å; L519-A522 WeakPolarHBondContact O-CB 3.48Å; L519-A522 PolarHBondContact O-N 2.96Å; L519-I523 HydrophobicContact CD1-CD1 4.47Å; L519-I523 HydrophobicContact CD2-CD1 4.25Å; L519-I523 HydrophobicContact CG-CD1 3.87Å; L519-I523 WeakPolarHBondContact O-CG1 3.45Å; L519-I523 PolarHBondContact O-N 3.23Å
520	R	57.9	Low	49.8	Very low	149 Å²	149	78.5 Å²	78.5	56%	0.562	46%	0.46	S	S	*	.	H	α-helix	trans	-59.7	-39.2	178.9	-168.8	179.8	72.5	-164.6	1.2	112.4	V516 A522 I523	V516-R520 WeakPolarHBondContact O-CB 3.33Å; V516-R520 PolarHBondContact O-N 2.93Å; R520-A522 PolarHBondContact O-N 3.14Å; R520-I523 PolarHBondContact O-N 3.39Å
521	N	50.9	Low	47.9	Very low	130 Å²	130	80.6 Å²	80.6	70%	0.695	48%	0.482	S	S	*	.	H	α-helix	trans	-72.3	-17.1	177.1	-67.3	-15.4	0	0	0	113.2	R517 L518 L519	R517-N521 VanDerWaalsContact O-CG 3.26Å; R517-N521 PolarHBondContact O-N 3.42Å; R517-N521 PolarHBondContact O-ND2 3.11Å; L518-N521 PolarHBondContact O-N 3.49Å; L519-N521 VanDerWaalsContact C-N 3.31Å; L519-N521 PolarHBondContact O-N 3.43Å
522	A	43.7	Very low	45.9	Very low	62 Å²	62	87.2 Å²	87.2	51%	0.512	50%	0.502	S	S	.	.	H	α-helix	trans	-92.9	-9.2	177.4	0	0	0	0	0	113.9	F502 L518 L519 R520	F502-A522 HydrophobicContact CE2-CB 4.09Å; F502-A522 HydrophobicContact CZ-CB 4.27Å; L518-A522 PolarHBondContact O-N 3.02Å; L519-A522 WeakPolarHBondContact O-CB 3.48Å; L519-A522 PolarHBondContact O-N 2.96Å; R520-A522 PolarHBondContact O-N 3.14Å
523	I	38.3	Very low	44	Very low	49 Å²	49	92 Å²	92	25%	0.251	53%	0.532	S	S	.	.	S	Bend	trans	-110.2	122	-176.1	-63.8	169.1	0	0	0	110.5	F494 L519 R520 T525	F494-I523 HydrophobicContact CD1-CD1 4.39Å; F494-I523 HydrophobicContact CE1-CD1 3.82Å; L519-I523 HydrophobicContact CD1-CD1 4.47Å; L519-I523 HydrophobicContact CD2-CD1 4.25Å; L519-I523 HydrophobicContact CG-CD1 3.87Å; L519-I523 WeakPolarHBondContact O-CG1 3.45Å; L519-I523 PolarHBondContact O-N 3.23Å; R520-I523 PolarHBondContact O-N 3.39Å; I523-T525 PolarHBondContact O-N 3.24Å
524	P	32.9	Very low	42.3	Very low	117 Å²	117	96.9 Å²	96.9	76%	0.76	56%	0.562	S	S	*	*			trans	-69.9	97.4	172.4	-17.2	31.3	0	0	0	111.5	G526	P524-G526 PolarHBondContact O-N 2.85Å
525	T	33.6	Very low	40.2	Very low	99 Å²	99	101.2 Å²	101.2	61%	0.607	58%	0.583	S	S	*	*			trans	-70.2	92.3	175.4	50.8	0	0	0	0	111.5	I523 S527	I523-T525 PolarHBondContact O-N 3.24Å; T525-S527 PolarHBondContact O-N 3.27Å
526	G	33.3	Very low	37.8	Very low	69 Å²	69	110.8 Å²	110.8	71%	0.711	63%	0.625	S	S	*	*			trans	-74.3	43.4	-177.5	0	0	0	0	0	116.7	P524	P524-G526 PolarHBondContact O-N 2.85Å
527	S	26	Very low	36	Very low	105 Å²	105	114.9 Å²	114.9	73%	0.734	66%	0.655	S	S	*	*			trans	-165.4	92.2	163.5	60.1	0	0	0	0	113.2	T525	T525-S527 PolarHBondContact O-N 3.27Å
528	N	25.5	Very low	33.9	Very low	151 Å²	151	114.8 Å²	114.8	81%	0.807	67%	0.673	S	S	*	*			trans	-130.5	119.6	156.8	-94.7	-21.3	0	0	0	108.8	P530	N528-P530 WeakPolarHBondContact O-CD 3.35Å
529	T	26.4	Very low	32	Very low	144 Å²	144	118.7 Å²	118.7	88%	0.883	69%	0.694	S	S	*	*			trans	-92	108.9	165.6	42.5	0	0	0	0	108.8
530	P	29.6	Very low	30.2	Very low	122 Å²	122	123.9 Å²	123.9	79%	0.792	73%	0.727	S	S	*	*			trans	-82.3	121.8	171.6	31.1	-29.8	0	0	0	110	N528	N528-P530 WeakPolarHBondContact O-CD 3.35Å
531	A	25.5	Very low	28.6	Very low	88 Å²	88	124.9 Å²	124.9	73%	0.727	74%	0.741	S	S	*	*			trans	-84.5	130.4	161.3	0	0	0	0	0	109.1
532	Y	24	Very low	27.3	Very low	226 Å²	226	121.8 Å²	121.8	89%	0.886	73%	0.733	S	S	*	*			trans	50.7	98.5	165.1	-81.7	-88.9	0	0	0	119
533	T	24	Very low	26.4	Very low	119 Å²	119	126.9 Å²	126.9	73%	0.73	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-82.5	141.4	148.7	43.6	0	0	0	0	110.9
534	P	24.9	Very low	25.7	Very low	122 Å²	122	129.7 Å²	129.7	79%	0.792	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-88.5	135.3	152.2	32.3	-27.4	0	0	0	109.9
535	N	22.8	Very low	25.3	Very low	144 Å²	144	130.9 Å²	130.9	77%	0.77	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-62.8	144.8	179.3	-66.3	-31.7	0	0	0	112.4
536	F	23.4	Very low	24.8	Very low	205 Å²	205	129.9 Å²	129.9	90%	0.899	78%	0.781	S	S	*	*			trans	-140.2	138	133.3	-104.6	-77.1	0	0	0	111.7
537	S	22.8	Very low	24.4	Very low	97 Å²	97	138.2 Å²	138.2	68%	0.678	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-59.6	141.1	-165.6	24.3	0	0	0	0	116.6
538	S	22.1	Very low	24.3	Very low	122 Å²	122	136.5 Å²	136.5	85%	0.853	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-101	120.2	148.9	-72.5	0	0	0	0	108.7
539	N	24.6	Very low	24.3	Very low	161 Å²	161	136.3 Å²	136.3	86%	0.861	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-86	131.2	169.5	-105	-0.5	0	0	0	109.9
540	T	23.1	Very low	24.2	Very low	121 Å²	121	136 Å²	136	74%	0.742	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-57.6	146.3	171.4	-35.2	0	0	0	0	111.9
541	I	24	Very low	24	Very low	170 Å²	170	135.7 Å²	135.7	87%	0.872	78%	0.783	S	S	*	*				-155.3	132	129.7	-96.4	145.6	0	0	0	107.4
542	A	22.7	Very low	24.5	Very low	64 Å²	64	136.7 Å²	136.7	53%	0.529	78%	0.781	S	S	.	*			trans	-91.8	159.7	173.7	0	0	0	0	0	110.3
543	H	25.7	Very low	24.5	Very low	170 Å²	170	135 Å²	135	79%	0.787	78%	0.782	S	S	*	*				169.2	118.7	113.1	-95.3	-73.2	0	0	0	114.6
544	T	22.3	Very low	24.6	Very low	107 Å²	107	133.9 Å²	133.9	66%	0.656	79%	0.785	S	S	*	*			trans	38.2	121.2	135.1	42.6	0	0	0	0	123.1
545	T	24.9	Very low	24.6	Very low	142 Å²	142	139.6 Å²	139.6	87%	0.871	79%	0.79	S	S	*	*			trans	63.3	127.6	133.1	60.2	0	0	0	0	121.7
546	G	23.1	Very low	24.6	Very low	79 Å²	79	142.3 Å²	142.3	81%	0.814	80%	0.798	S	S	*	*			trans	175.3	122.8	160.2	0	0	0	0	0	114.9
547	Y	25.2	Very low	24.7	Very low	244 Å²	244	140.7 Å²	140.7	96%	0.957	80%	0.797	S	S	*	*			trans	-56.3	158.1	176.5	-82.6	-109.5	0	0	0	116.7
548	G	23.9	Very low	24.8	Very low	68 Å²	68	141 Å²	141	70%	0.701	80%	0.799	S	S	*	*				120.2	115.3	129	0	0	0	0	0	119.3
549	N	25.3	Very low	25	Very low	147 Å²	147	142 Å²	142	79%	0.786	80%	0.8	S	S	*	*			trans	3.2	141.8	148.3	-55.3	7.9	0	0	0	119.1
550	D	24.6	Very low	25	Very low	138 Å²	138	143 Å²	143	74%	0.738	80%	0.8	S	S	*	*				-172.2	143.8	58.5	-100.8	-46.5	0	0	0	113.6
551	C	25.1	Very low	25	Very low	116 Å²	116	145.6 Å²	145.6	78%	0.784	80%	0.801	S	S	*	*			trans	55.6	163	148	-72.9	0	0	0	0	123.2
552	P	35	Very low	25	Very low	108 Å²	108	145.6 Å²	145.6	70%	0.701	80%	0.802	S	S	*	*			cis	-137.9	160.9	-46.7	38.7	-22.2	0	0	0	116.1
553	E	24.6	Very low	25.1	Very low	192 Å²	192	148 Å²	148	90%	0.897	81%	0.806	S	S	*	*			trans	35	129.5	149.7	-61.6	-168.9	126.7	0	0	124.5
554	A	25.8	Very low	25	Very low	95 Å²	95	148.6 Å²	148.6	79%	0.785	81%	0.813	S	S	*	*				-162.8	102.1	112.9	0	0	0	0	0	115
555	R	25.7	Very low	25.2	Very low	242 Å²	242	150.4 Å²	150.4	91%	0.913	82%	0.819	S	S	*	*			trans	57.7	102.9	144	-60.8	180	178.8	171.2	-0.1	121.2
556	E	23.4	Very low	25.2	Very low	201 Å²	201	148.5 Å²	148.5	94%	0.939	81%	0.812	S	S	*	*			trans	-96.4	160.6	143	-69.9	-174.7	141.3	0	0	110.5
557	I	25.5	Very low	25.3	Very low	170 Å²	170	152 Å²	152	87%	0.872	81%	0.812	S	S	*	*			trans	-121.8	132.8	171.3	-69.7	170.5	0	0	0	109.1
558	S	23.4	Very low	25.3	Very low	103 Å²	103	145.3 Å²	145.3	72%	0.72	80%	0.8	S	S	*	*			trans	-102	162.3	-176.3	48	0	0	0	0	113
559	V	25.9	Very low	26.1	Very low	145 Å²	145	147.6 Å²	147.6	88%	0.879	80%	0.803	S	S	*	*			trans	-138.8	151	148.6	-176.7	0	0	0	0	109.1
560	E	24.8	Very low	26.2	Very low	181 Å²	181	146.8 Å²	146.8	85%	0.846	81%	0.806	S	S	*	*			trans	-87.6	169	-151.5	-63.4	163.8	130.5	0	0	117
561	K	24.8	Very low	26.1	Very low	176 Å²	176	149.8 Å²	149.8	77%	0.765	81%	0.812	S	S	*	*			trans	-120.2	128.1	169.2	174.4	-172.3	178	-174.7	0	107.8
562	L	23.6	Very low	26.2	Very low	170 Å²	170	148.9 Å²	148.9	89%	0.89	81%	0.813	S	S	*	*			trans	-94.1	126.4	172.6	-74	169.1	0	0	0	110.9
563	N	23.8	Very low	25.5	Very low	115 Å²	115	153.2 Å²	153.2	62%	0.615	82%	0.824	S	S	*	*			trans	-103.6	155	164.5	-75.7	-10.7	0	0	0	108.9
564	L	25	Very low	25.5	Very low	181 Å²	181	150.1 Å²	150.1	95%	0.948	82%	0.818	S	S	*	*			trans	-143.2	138.8	153.6	-101.6	166	0	0	0	108.3
565	D	24.8	Very low	25.4	Very low	145 Å²	145	156.9 Å²	156.9	78%	0.775	82%	0.823	S	S	*	*			trans	-97.3	157.4	-162.5	-82.8	-51.5	0	0	0	115.2
566	S	26.7	Very low	25.3	Very low	103 Å²	103	153.9 Å²	153.9	72%	0.72	82%	0.817	S	S	*	*			trans	43.9	121.6	140.4	-170.9	0	0	0	0	121.1
567	D	23.1	Very low	25.3	Very low	153 Å²	153	150.4 Å²	150.4	82%	0.818	81%	0.805	S	S	*	*				-154	165.8	114	-137.1	-16.5	0	0	0	113.7
568	S	26.8	Very low	25.3	Very low	102 Å²	102	148.3 Å²	148.3	71%	0.713	80%	0.799	S	S	*	*			trans	-142.1	-179.8	179.3	-52.9	0	0	0	0	111.7
569	P	39.4	Very low	25.4	Very low	116 Å²	116	149.3 Å²	149.3	75%	0.753	80%	0.801	S	S	*	*				-114.7	177.3	-107.1	39.3	-23.7	0	0	0	114.5
570	P	27.9	Very low	25.4	Very low	130 Å²	130	150 Å²	150	84%	0.844	80%	0.8	S	S	*	*			trans	-114.6	159.6	154.1	35	-25.6	0	0	0	113.7
571	K	23.3	Very low	25.5	Very low	202 Å²	202	145.3 Å²	145.3	88%	0.878	79%	0.792	S	S	*	*			trans	-105.5	146.5	-179.2	-79.4	-179.5	175.3	176.1	0	112.7
572	A	25.7	Very low	25.9	Very low	96 Å²	96	143.4 Å²	143.4	79%	0.793	80%	0.798	S	S	*	*			trans	55.6	123.5	141.3	0	0	0	0	0	121.2
573	E	21.9	Very low	26.3	Very low	200 Å²	200	140 Å²	140	94%	0.935	79%	0.794	S	S	*	*				-153.7	175.1	128.3	-124.4	178.4	-157.9	0	0	112.1
574	T	24.5	Very low	27.1	Very low	127 Å²	127	139.6 Å²	139.6	78%	0.779	80%	0.797	S	S	*	*			trans	-131.2	133.9	-154.8	-49.3	0	0	0	0	113.5
575	R	22.6	Very low	27.5	Very low	237 Å²	237	137.7 Å²	137.7	89%	0.894	79%	0.788	S	S	*	*			trans	178.3	131.6	143.5	-100.7	155.2	-175.8	-173.6	1.6	114.7
576	K	23.5	Very low	28.2	Very low	179 Å²	179	136.2 Å²	136.2	78%	0.778	78%	0.784	S	S	*	*				15.1	145.2	129.3	-73.6	-170.7	173.6	-159.8	0	119.5
577	D	24.3	Very low	28.7	Very low	128 Å²	128	137.7 Å²	137.7	68%	0.684	78%	0.783	S	S	*	*			cis	-165.5	147.9	24.5	-109.4	-22.6	0	0	0	114.2
578	V	25.4	Very low	29.4	Very low	125 Å²	125	135.7 Å²	135.7	76%	0.758	77%	0.772	S	S	*	*			trans	61.4	153.5	144.8	-160.3	0	0	0	0	123.6
579	V	25.9	Very low	29.9	Very low	125 Å²	125	136.8 Å²	136.8	76%	0.758	77%	0.769	S	S	*	*			trans	87.2	129.3	163.8	-167.1	0	0	0	0	116.3
580	D	26.3	Very low	29.8	Very low	159 Å²	159	134.1 Å²	134.1	85%	0.85	75%	0.753	S	S	*	*			cis	-152.2	163.3	-14.9	-126.9	-24.4	0	0	0	109.7
581	A	25.9	Very low	30.3	Very low	83 Å²	83	136.5 Å²	136.5	69%	0.686	75%	0.745	S	S	*	*			trans	-142	136.9	170.8	0	0	0	0	0	112.4
582	P	33.5	Very low	31.2	Very low	135 Å²	135	130.4 Å²	130.4	88%	0.877	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-81.3	136.5	-176.1	31.8	-34	0	0	0	113.1
583	A	32.9	Very low	32.1	Very low	98 Å²	98	129.7 Å²	129.7	81%	0.81	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-97.1	156.3	175	0	0	0	0	0	112.7
584	P	39.6	Very low	32.9	Very low	107 Å²	107	129.4 Å²	129.4	70%	0.695	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-98.1	166.9	-157.2	-0	21.4	0	0	0	116	V586	P584-V586 PolarHBondContact O-N 3.35Å
585	L	34.3	Very low	33.5	Very low	141 Å²	141	129.9 Å²	129.9	74%	0.738	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	2.4	-173.4	-73.2	157.6	0	0	0	117.8	L587 L588	L585-L587 VanDerWaalsContact C-N 3.28Å; L585-L587 PolarHBondContact O-N 3.01Å; L585-L588 PolarHBondContact O-N 3Å; L585-L588 VanDerWaalsContact O-N 3.11Å
586	V	38.7	Very low	34.3	Very low	115 Å²	115	124 Å²	124	70%	0.697	68%	0.68	S	S	*	*	H	α-helix	trans	-62.3	-31.5	-172.9	-179.1	0	0	0	0	112.9	P584 L588	P584-V586 PolarHBondContact O-N 3.35Å; V586-L588 VanDerWaalsContact C-N 3.34Å; V586-L588 PolarHBondContact O-N 3.36Å
587	L	36.8	Very low	35.3	Very low	134 Å²	134	121.3 Å²	121.3	70%	0.702	67%	0.672	S	S	*	*	H	α-helix	trans	-71.6	-24.3	178.1	-80.4	167.4	0	0	0	113.9	L585 S590	L585-L587 VanDerWaalsContact C-N 3.28Å; L585-L587 PolarHBondContact O-N 3.01Å; L587-S590 PolarHBondContact O-OG 3.27Å
588	L	37.2	Very low	36	Very low	111 Å²	111	121.4 Å²	121.4	58%	0.581	67%	0.673	S	S	*	*	H	α-helix	trans	-72.3	-45.2	-176.3	-140.8	77.6	0	0	0	111.6	L585 V586 S590 R591 V592	L585-L588 PolarHBondContact O-N 3Å; L585-L588 VanDerWaalsContact O-N 3.11Å; V586-L588 VanDerWaalsContact C-N 3.34Å; V586-L588 PolarHBondContact O-N 3.36Å; L588-S590 VanDerWaalsContact C-N 3.29Å; L588-S590 PolarHBondContact O-N 2.98Å; L588-R591 PolarHBondContact O-N 3.39Å; L588-R591 VanDerWaalsContact O-N 3.07Å; L588-V592 PolarHBondContact O-N 2.64Å; L588-V592 VanDerWaalsContact O-N 3.15Å
589	L	37.4	Very low	36.7	Very low	125 Å²	125	123.2 Å²	123.2	65%	0.654	67%	0.673	S	S	*	*	H	α-helix	trans	-58.8	-39	176.3	-83.7	156	0	0	0	112.2	R591 V592 V593	L589-R591 PolarHBondContact O-N 3.44Å; L589-V592 PolarHBondContact O-N 2.88Å; L589-V593 WeakPolarHBondContact O-CG2 3.45Å; L589-V593 PolarHBondContact O-N 3.35Å
590	S	38.6	Very low	37.5	Very low	59 Å²	59	126.1 Å²	126.1	41%	0.413	68%	0.678	S	S	.	*	H	α-helix	trans	-61.8	-29	176.7	81.2	0	0	0	0	113.9	L587 L588 R594	L587-S590 PolarHBondContact O-OG 3.27Å; L588-S590 VanDerWaalsContact C-N 3.29Å; L588-S590 PolarHBondContact O-N 2.98Å; S590-R594 WeakPolarHBondContact O-CG 3.37Å; S590-R594 PolarHBondContact O-N 3.34Å
591	R	38.2	Very low	38.1	Very low	181 Å²	181	126.4 Å²	126.4	68%	0.683	68%	0.679	S	S	*	*	H	α-helix	trans	-81.7	-40.9	177.7	-73.9	-177.9	171	-179.8	-2.2	111.8	L588 L589 R594 Q595	L588-R591 PolarHBondContact O-N 3.39Å; L588-R591 VanDerWaalsContact O-N 3.07Å; L589-R591 PolarHBondContact O-N 3.44Å; R591-R594 PolarHBondContact O-N 2.89Å; R591-Q595 PolarHBondContact O-N 3.44Å
592	V	42.8	Very low	38.6	Very low	74 Å²	74	126.1 Å²	126.1	45%	0.448	68%	0.684	S	S	.	*	H	α-helix	trans	-63.2	-45.5	177.2	176.5	0	0	0	0	111.1	L588 L589 R594 Q595 L596	L588-V592 PolarHBondContact O-N 2.64Å; L588-V592 VanDerWaalsContact O-N 3.15Å; L589-V592 PolarHBondContact O-N 2.88Å; V592-R594 VanDerWaalsContact C-N 3.33Å; V592-R594 PolarHBondContact O-N 3.35Å; V592-Q595 PolarHBondContact O-N 2.79Å; V592-Q595 VanDerWaalsContact O-N 3.11Å; V592-L596 HydrophobicContact CG1-CD1 4.18Å; V592-L596 PolarHBondContact O-N 2.89Å
593	V	43.6	Very low	38.7	Very low	80 Å²	80	127 Å²	127	49%	0.485	68%	0.681	S	S	.	*	H	α-helix	trans	-64.6	-36	177.2	176	0	0	0	0	111.8	L589 Q595 I597	L589-V593 WeakPolarHBondContact O-CG2 3.45Å; L589-V593 PolarHBondContact O-N 3.35Å; V593-Q595 VanDerWaalsContact C-N 3.35Å; V593-I597 HydrophobicContact CG1-CD1 4Å; V593-I597 WeakPolarHBondContact O-CG1 3.22Å; V593-I597 PolarHBondContact O-N 2.99Å
594	R	38.7	Very low	38.8	Very low	195 Å²	195	128.5 Å²	128.5	74%	0.736	68%	0.683	S	S	*	*	H	α-helix	trans	-69.1	-27.2	172.6	-82.6	-174.3	178.4	-169.7	1.3	114	S590 R591 V592 N598	S590-R594 WeakPolarHBondContact O-CG 3.37Å; S590-R594 PolarHBondContact O-N 3.34Å; R591-R594 PolarHBondContact O-N 2.89Å; V592-R594 VanDerWaalsContact C-N 3.33Å; V592-R594 PolarHBondContact O-N 3.35Å; R594-N598 PolarHBondContact O-ND2 2.97Å
595	Q	37.2	Very low	39	Very low	137 Å²	137	126.4 Å²	126.4	64%	0.64	68%	0.68	S	S	*	*	H	α-helix	trans	-75.1	-40.4	174.2	-86.2	179.8	-53.9	0	0	112.1	R591 V592 V593 N598	R591-Q595 PolarHBondContact O-N 3.44Å; V592-Q595 PolarHBondContact O-N 2.79Å; V592-Q595 VanDerWaalsContact O-N 3.11Å; V593-Q595 VanDerWaalsContact C-N 3.35Å; Q595-N598 PolarHBondContact O-N 3.33Å
596	L	39.1	Very low	38.7	Very low	114 Å²	114	130.2 Å²	130.2	60%	0.597	69%	0.691	S	S	*	*	H	α-helix	trans	-65.1	-39.4	179.1	-72.5	165.4	0	0	0	112.8	V592 N598 Q599	V592-L596 HydrophobicContact CG1-CD1 4.18Å; V592-L596 PolarHBondContact O-N 2.89Å; L596-N598 PolarHBondContact O-N 3.28Å; L596-Q599 PolarHBondContact O-N 3.29Å
597	I	44.4	Very low	38.5	Very low	121 Å²	121	136.3 Å²	136.3	62%	0.621	70%	0.702	S	S	*	*	H	α-helix	trans	-66.8	-23.8	178.3	-67.5	168.8	0	0	0	112.4	V593	V593-I597 HydrophobicContact CG1-CD1 4Å; V593-I597 WeakPolarHBondContact O-CG1 3.22Å; V593-I597 PolarHBondContact O-N 2.99Å
598	N	39.8	Very low	38.3	Very low	130 Å²	130	139 Å²	139	70%	0.695	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	1.1	-178.7	-75.7	-16.7	0	0	0	114.4	R594 Q595 L596	R594-N598 PolarHBondContact O-ND2 2.97Å; Q595-N598 PolarHBondContact O-N 3.33Å; L596-N598 PolarHBondContact O-N 3.28Å
599	Q	39.1	Very low	38.1	Very low	164 Å²	164	142.5 Å²	142.5	77%	0.766	72%	0.721	S	S	*	*	S	Bend	trans	-99.7	-11.5	-179.2	-78.8	-173	-28.1	0	0	115.3	L596	L596-Q599 PolarHBondContact O-N 3.29Å
600	E	42.7	Very low	38.1	Very low	186 Å²	186	143.7 Å²	143.7	87%	0.869	73%	0.728	S	S	*	*			trans	-114.8	59.8	177.7	-70.1	-134.3	146.8	0	0	113.7
601	L	38.8	Very low	38	Very low	165 Å²	165	147.8 Å²	147.8	86%	0.864	74%	0.744	S	S	*	*			trans	-126.5	71.6	167.7	-102.4	152.7	0	0	0	110
602	G	38.3	Very low	37.8	Very low	76 Å²	76	144.1 Å²	144.1	78%	0.784	74%	0.738	S	S	*	*			trans	-150.1	27.1	-173.1	0	0	0	0	0	115.3
603	N	35.4	Very low	37.6	Very low	155 Å²	155	147.1 Å²	147.1	83%	0.829	75%	0.751	S	S	*	*			trans	-152	120.4	174	-151.4	-4.6	0	0	0	112.4	G605	N603-G605 PolarHBondContact O-N 3.27Å
604	P	34.5	Very low	37.1	Very low	129 Å²	129	151.2 Å²	151.2	84%	0.838	76%	0.762	S	S	*	*			trans	-91.8	100.4	-176	33.6	-31.2	0	0	0	111.9
605	G	42.4	Very low	36.9	Very low	63 Å²	63	146.5 Å²	146.5	65%	0.649	75%	0.752	S	S	*	*			trans	-175.7	25.6	-177	0	0	0	0	0	121.4	N603	N603-G605 PolarHBondContact O-N 3.27Å
606	F	29.5	Very low	37.1	Very low	220 Å²	220	143.5 Å²	143.5	97%	0.965	74%	0.742	S	S	*	*			trans	-136.4	143.1	169.5	-104.2	-89.5	0	0	0	113.6
607	R	33.9	Very low	37	Very low	243 Å²	243	142.6 Å²	142.6	92%	0.917	74%	0.741	S	S	*	*			trans	-81.8	147.5	-172.7	-73.3	179.2	172.1	174.6	-2.8	112.1
608	K	33.4	Very low	36.3	Very low	191 Å²	191	139.5 Å²	139.5	83%	0.83	73%	0.731	S	S	*	*			trans	-62	130.5	172	-66	-178.7	175.4	-175.1	0	111.6
609	Q	33.3	Very low	36.3	Very low	185 Å²	185	139.6 Å²	139.6	86%	0.864	73%	0.731	S	S	*	*			trans	-127.6	135.5	143.2	-82.3	-176.2	-28.1	0	0	107	I611	Q609-I611 PolarHBondContact O-N 3.46Å
610	D	35.7	Very low	36.2	Very low	149 Å²	149	141.8 Å²	141.8	80%	0.797	73%	0.732	S	S	*	*			trans	-77.1	112.4	-167.7	-60	-65.4	0	0	0	111.6
611	I	36.1	Very low	35.8	Very low	145 Å²	145	137 Å²	137	74%	0.744	72%	0.724	S	S	*	*			trans	-95.8	107.4	161.1	-59.9	177.5	0	0	0	106.7	Q609 L613 V616	Q609-I611 PolarHBondContact O-N 3.46Å; I611-L613 PolarHBondContact O-N 3.25Å; I611-L613 VanDerWaalsContact O-N 3.07Å; I611-V616 HydrophobicContact CG2-CG2 4.23Å
612	N	35.2	Very low	35.8	Very low	104 Å²	104	133.1 Å²	133.1	56%	0.556	71%	0.711	S	S	*	*			trans	-64.6	110.3	174.9	-97.4	-34.2	0	0	0	109.9	F614 D615	N612-F614 PolarHBondContact O-N 3.19Å; N612-D615 HydrophobicContact CB-CB 4.48Å; N612-D615 WeakPolarHBondContact CB-OD2 3.37Å; N612-D615 PolarHBondContact O-N 3.4Å
613	L	38.3	Very low	36.6	Very low	137 Å²	137	137.6 Å²	137.6	72%	0.717	70%	0.704	S	S	*	*	H	α-helix	trans	-59.9	-19.5	175.7	-163.4	65.9	0	0	0	112.2	I611 V617	I611-L613 PolarHBondContact O-N 3.25Å; I611-L613 VanDerWaalsContact O-N 3.07Å; L613-V617 WeakPolarHBondContact O-CG2 3.03Å; L613-V617 PolarHBondContact O-N 3.48Å
614	F	33.3	Very low	37.7	Very low	167 Å²	167	132.7 Å²	132.7	73%	0.732	69%	0.691	S	S	*	*	H	α-helix	trans	-71	-30.5	174.4	-132.8	-92.8	0	0	0	113.6	N612 S618	N612-F614 PolarHBondContact O-N 3.19Å; F614-S618 VanDerWaalsContact O-CB 3.24Å; F614-S618 WeakPolarHBondContact O-CB 3.43Å; F614-S618 PolarHBondContact O-N 3.28Å; F614-S618 PolarHBondContact O-OG 2.9Å
615	D	35.3	Very low	39.6	Very low	95 Å²	95	131.4 Å²	131.4	51%	0.508	68%	0.682	S	S	.	*	H	α-helix	trans	-76.2	-40.8	178.6	-68.8	-44.8	0	0	0	111.2	N612 V617 S618 L619	N612-D615 HydrophobicContact CB-CB 4.48Å; N612-D615 WeakPolarHBondContact CB-OD2 3.37Å; N612-D615 PolarHBondContact O-N 3.4Å; D615-V617 VanDerWaalsContact C-N 3.27Å; D615-V617 PolarHBondContact O-N 2.81Å; D615-S618 PolarHBondContact O-N 3.49Å; D615-L619 WeakPolarHBondContact O-CB 3.47Å; D615-L619 WeakPolarHBondContact O-CG 3.47Å; D615-L619 PolarHBondContact O-N 3.45Å
616	V	40.8	Very low	41.6	Very low	74 Å²	74	129.1 Å²	129.1	45%	0.448	66%	0.655	S	S	.	*	H	α-helix	trans	-64.2	-33	176.4	-175.5	0	0	0	0	111.8	I611	I611-V616 HydrophobicContact CG2-CG2 4.23Å
617	V	37.6	Very low	44.5	Very low	95 Å²	95	120.7 Å²	120.7	58%	0.576	62%	0.623	S	S	*	*	H	α-helix	trans	-80.7	-37.9	175.2	176.4	0	0	0	0	111.5	L613 D615 L619 R620 A621	L613-V617 WeakPolarHBondContact O-CG2 3.03Å; L613-V617 PolarHBondContact O-N 3.48Å; D615-V617 VanDerWaalsContact C-N 3.27Å; D615-V617 PolarHBondContact O-N 2.81Å; V617-L619 PolarHBondContact O-N 3.06Å; V617-R620 PolarHBondContact O-N 2.94Å; V617-A621 PolarHBondContact O-N 3.09Å
618	S	29.6	Very low	47.1	Very low	57 Å²	57	111.5 Å²	111.5	40%	0.399	59%	0.592	S	S	.	*	H	α-helix	trans	-66.2	-34.5	176.1	-62.8	0	0	0	0	112.9	F614 D615 R620 A621	F614-S618 VanDerWaalsContact O-CB 3.24Å; F614-S618 WeakPolarHBondContact O-CB 3.43Å; F614-S618 PolarHBondContact O-N 3.28Å; F614-S618 PolarHBondContact O-OG 2.9Å; D615-S618 PolarHBondContact O-N 3.49Å; S618-R620 PolarHBondContact O-N 3.09Å; S618-A621 PolarHBondContact O-N 3.26Å
619	L	38.5	Very low	49.9	Very low	132 Å²	132	110 Å²	110	69%	0.691	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-20.9	173.9	-80	164.3	0	0	0	113.7	D615 V617	D615-L619 WeakPolarHBondContact O-CB 3.47Å; D615-L619 WeakPolarHBondContact O-CG 3.47Å; D615-L619 PolarHBondContact O-N 3.45Å; V617-L619 PolarHBondContact O-N 3.06Å
620	R	38.4	Very low	52.7	Low	209 Å²	209	102.8 Å²	102.8	79%	0.789	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-10.4	172.9	-72.6	-177.2	170.1	175	-2.8	113.6	V617 S618	V617-R620 PolarHBondContact O-N 2.94Å; S618-R620 PolarHBondContact O-N 3.09Å
621	A	34.4	Very low	55.5	Low	86 Å²	86	96 Å²	96	71%	0.711	52%	0.519	S	S	*	.	S	Bend	trans	-96.1	3	-173.1	0	0	0	0	0	115	V617 S618	V617-A621 PolarHBondContact O-N 3.09Å; S618-A621 PolarHBondContact O-N 3.26Å
622	S	38.3	Very low	58.3	Low	84 Å²	84	93.1 Å²	93.1	59%	0.587	50%	0.501	S	S	*	.			trans	-121.1	16	-178	63.6	0	0	0	0	114.9	G624	S622-G624 PolarHBondContact O-N 3.26Å
623	R	53.9	Low	61.2	Low	169 Å²	169	90.3 Å²	90.3	64%	0.638	49%	0.485	S	S	*	.			trans	-76.9	71.7	172.4	-71.2	-170.6	174.2	-152.8	-9.3	111.5	C958	R623-C958 PolarHBondContact NH2-O 3.14Å
624	G	59.9	Low	63.9	Low	53 Å²	53	85.4 Å²	85.4	55%	0.546	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-60.9	155.5	152.8	0	0	0	0	0	110	S622 L626	S622-G624 PolarHBondContact O-N 3.26Å; G624-L626 PolarHBondContact O-N 3.47Å
625	P	72.9	Confident	66.7	Low	102 Å²	102	77.9 Å²	77.9	66%	0.662	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-57.3	138.1	176.6	24.6	-33.3	0	0	0	110.3	C627	P625-C627 PolarHBondContact O-N 2.88Å
626	L	85.6	Confident	69.5	Low	15 Å²	15	73.4 Å²	73.4	8%	0.079	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-54.9	138.3	177.7	-85	170.1	0	0	0	110	G624 D630 F631 Y650 F698 A699 F701 V954	G624-L626 PolarHBondContact O-N 3.47Å; L626-D630 HydrophobicContact CD2-CB 4.45Å; L626-F631 HydrophobicContact CD2-CE2 4.45Å; L626-Y650 HydrophobicContact CD2-CE2 3.5Å; L626-Y650 VanDerWaalsContact CD2-CE2 3.5Å; L626-Y650 WeakPolarHBondContact CD2-OH 3.49Å; L626-F698 HydrophobicContact CD1-CE1 4.28Å; L626-A699 HydrophobicContact CD1-CB 3.38Å; L626-F701 WeakPolarHBondContact O-CB 3.45Å; L626-V954 HydrophobicContact CD1-CG1 4.26Å; L626-V954 HydrophobicContact CD1-CG2 4.1Å
627	C	89.7	Confident	71.9	Confident	43 Å²	43	70.5 Å²	70.5	29%	0.291	39%	0.386	S	S	.	.			trans	-136.5	165	-179.1	75.2	0	0	0	0	111.8	P625 Q629 D630 F631	P625-C627 PolarHBondContact O-N 2.88Å; C627-Q629 PolarHBondContact O-N 3.18Å; C627-D630 PolarHBondContact N-OD2 3.46Å; C627-D630 WeakPolarHBondContact O-CB 3.44Å; C627-D630 PolarHBondContact O-N 3.39Å; C627-D630 PolarHBondContact SG-OD2 2.87Å; C627-F631 WeakPolarHBondContact O-CD2 3.37Å
628	L	89.9	Confident	74.2	Confident	50 Å²	50	66.6 Å²	66.6	26%	0.262	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-55.5	-28.3	179.5	-169.6	69.1	0	0	0	113.1	D630 F631 L633 F701 L931	L628-D630 VanDerWaalsContact C-N 3.29Å; L628-D630 PolarHBondContact O-N 3.14Å; L628-F631 PolarHBondContact O-N 2.98Å; L628-L633 HydrophobicContact CD1-CD2 4.36Å; L628-F701 HydrophobicContact CB-CE2 3.9Å; L628-F701 HydrophobicContact CB-CZ 4.18Å; L628-F701 HydrophobicContact CD1-CE2 4.32Å; L628-F701 HydrophobicContact CD1-CZ 4.02Å; L628-L931 HydrophobicContact CD1-CD1 4.17Å; L628-L931 HydrophobicContact CD1-CG 4.49Å; L628-L931 HydrophobicContact CD2-CD1 3.48Å; L628-L931 VanDerWaalsContact CD2-CD1 3.48Å; L628-L931 HydrophobicContact CD2-CG 4.17Å; L628-L931 HydrophobicContact CG-CD1 4.47Å
629	Q	91.7	Very high	76.6	Confident	160 Å²	160	70.7 Å²	70.7	75%	0.748	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-73.8	-19.5	-177.4	-57.3	166.4	18.9	0	0	112.6	C627 F631 K651	C627-Q629 PolarHBondContact O-N 3.18Å; Q629-F631 PolarHBondContact O-N 3.32Å; Q629-K651 PolarHBondContact O-NZ 3.43Å
630	D	92.3	Very high	77.9	Confident	33 Å²	33	66.8 Å²	66.8	18%	0.176	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-72.2	-12.9	172.1	-63.7	-75.2	0	0	0	112.8	L626 C627 L628 Y650 K651 K652	L626-D630 HydrophobicContact CD2-CB 4.45Å; C627-D630 PolarHBondContact N-OD2 3.46Å; C627-D630 WeakPolarHBondContact O-CB 3.44Å; C627-D630 PolarHBondContact O-N 3.39Å; C627-D630 PolarHBondContact SG-OD2 2.87Å; L628-D630 VanDerWaalsContact C-N 3.29Å; L628-D630 PolarHBondContact O-N 3.14Å; D630-Y650 HydrophobicContact CB-CD2 4.16Å; D630-Y650 HydrophobicContact CB-CE2 3.69Å; D630-K651 VanDerWaalsContact O-CB 3.31Å; D630-K651 WeakPolarHBondContact O-CB 3.21Å; D630-K651 VanDerWaalsContact O-CG 3.29Å; D630-K651 WeakPolarHBondContact O-CG 3.49Å; D630-K651 PolarHBondContact O-N 3.11Å; D630-K652 WeakPolarHBondContact OD1-CE 3.45Å; D630-K652 IonicContact OD1-NZ 3.91Å
631	F	94.5	Very high	79	Confident	7 Å²	7	61.3 Å²	61.3	3%	0.031	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	149.2	-177.9	-63.1	-89	0	0	0	112.2	L626 C627 L628 Q629 E649 Y650 K651 Y657 I659 F701 V710	L626-F631 HydrophobicContact CD2-CE2 4.45Å; C627-F631 WeakPolarHBondContact O-CD2 3.37Å; L628-F631 PolarHBondContact O-N 2.98Å; Q629-F631 PolarHBondContact O-N 3.32Å; F631-E649 CarbonylContact C-O 3.52Å; F631-E649 WeakPolarHBondContact CA-O 3.2Å; F631-Y650 HydrophobicContact CD1-CD2 4.05Å; F631-Y650 AromaticContact CE1-CD2 3.62Å; F631-Y650 HydrophobicContact CE1-CD2 3.62Å; F631-Y650 HydrophobicContact CE1-CG 4.1Å; F631-Y650 HydrophobicContact CE2-CD2 4.22Å; F631-Y650 AromaticContact CZ-CD2 3.71Å; F631-Y650 HydrophobicContact CZ-CD2 3.71Å; F631-Y650 HydrophobicContact CZ-CE2 4.22Å; F631-K651 WeakPolarHBondContact O-CE 3.27Å; F631-K651 PolarHBondContact O-NZ 3.07Å; F631-Y657 HydrophobicContact CE1-CD2 4.19Å; F631-I659 HydrophobicContact CB-CD1 4.13Å; F631-I659 HydrophobicContact CD1-CD1 3.86Å; F631-I659 HydrophobicContact CD2-CD1 4.09Å; F631-I659 HydrophobicContact CE1-CD1 4.29Å; F631-I659 HydrophobicContact CG-CD1 3.75Å; F631-F701 HydrophobicContact CD2-CE1 4.19Å; F631-F701 HydrophobicContact CE2-CD1 4.46Å; F631-F701 AromaticContact CE2-CE1 3.83Å; F631-F701 HydrophobicContact CE2-CE1 3.83Å; F631-V710 HydrophobicContact CE1-CG1 3.87Å; F631-V710 HydrophobicContact CE2-CG2 4.3Å; F631-V710 HydrophobicContact CZ-CG1 3.87Å; F631-V710 HydrophobicContact CZ-CG2 3.95Å
632	K	95.1	Very high	80.2	Confident	84 Å²	84	59.7 Å²	59.7	37%	0.365	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	112.5	166.7	167	-168.5	147.1	-146.9	0	106.9	I634 S648 E649 K651 E915	K632-I634 HydrophobicContact CG-CG1 4.41Å; K632-S648 CarbonylContact O-C 3.55Å; K632-S648 VanDerWaalsContact O-CA 3.29Å; K632-S648 WeakPolarHBondContact O-CA 3.41Å; K632-E649 HydrophobicContact CB-CB 4.32Å; K632-E649 WeakPolarHBondContact CD-OE2 3.31Å; K632-E649 PolarHBondContact N-O 2.78Å; K632-E649 IonicContact NZ-OE2 3.97Å; K632-E649 PolarHBondContact NZ-OE2 3Å; K632-E649 PolarHBondContact O-N 3.12Å; K632-K651 HydrophobicContact CB-CG 4.44Å; K632-E915 IonicContact NZ-OE1 3.02Å; K632-E915 PolarHBondContact NZ-OE1 3.03Å
633	L	95.3	Very high	82.1	Confident	44 Å²	44	56.8 Å²	56.8	23%	0.23	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	130.3	176.6	-50.3	-179.5	0	0	0	109.1	L628 L646 S648 P929	L628-L633 HydrophobicContact CD1-CD2 4.36Å; L633-L646 HydrophobicContact CD1-CD1 4.2Å; L633-L646 HydrophobicContact CD2-CB 4.48Å; L633-L646 HydrophobicContact CD2-CD1 4.26Å; L633-S648 VanDerWaalsContact CD2-OG 3.29Å; L633-S648 WeakPolarHBondContact CD2-OG 3.44Å; L633-P929 HydrophobicContact CB-CB 4.1Å; L633-P929 VanDerWaalsContact CB-O 3.31Å; L633-P929 WeakPolarHBondContact CB-O 3.32Å; L633-P929 VanDerWaalsContact CD1-O 3.32Å; L633-P929 WeakPolarHBondContact CD1-O 3.1Å
634	I	94.2	Very high	83.8	Confident	35 Å²	35	49.3 Å²	49.3	18%	0.179	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-53.8	-172.1	-69.4	156.3	0	0	0	111.5	K632 L647 E649 Q656 E915 P929	K632-I634 HydrophobicContact CG-CG1 4.41Å; I634-L647 HydrophobicContact CB-CB 4.45Å; I634-L647 HydrophobicContact CB-CD2 4.32Å; I634-L647 HydrophobicContact CB-CG 4.12Å; I634-L647 HydrophobicContact CD1-CG 4.35Å; I634-L647 HydrophobicContact CG2-CD2 3.95Å; I634-L647 HydrophobicContact CG2-CG 4.32Å; I634-L647 PolarHBondContact N-O 2.93Å; I634-E649 HydrophobicContact CD1-CB 3.72Å; I634-Q656 VanDerWaalsContact CD1-OE1 3.23Å; I634-E915 HydrophobicContact CD1-CG 4.07Å; I634-E915 VanDerWaalsContact CD1-OE1 3.3Å; I634-E915 WeakPolarHBondContact CD1-OE1 3.33Å; I634-E915 HydrophobicContact CG2-CB 4.25Å; I634-E915 HydrophobicContact CG2-CG 4.31Å; I634-P929 WeakPolarHBondContact O-CG 3.06Å
635	A	93.9	Very high	85.3	Confident	9 Å²	9	48.6 Å²	48.6	7%	0.074	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	160.2	-175.5	0	0	0	0	0	111.4	L646 L647 V917	A635-L646 CarbonylContact O-C 3.51Å; A635-L646 WeakPolarHBondContact O-CA 3.43Å; A635-L647 HydrophobicContact CB-CB 4.21Å; A635-L647 PolarHBondContact O-N 3.32Å; A635-V917 HydrophobicContact CB-CG1 3.99Å
636	V	93.4	Very high	86.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119.6	168.4	-176.1	0	0	0	0	108	K644 L646 F924 T925 E927 A928	V636-K644 HydrophobicContact CB-CD 4.42Å; V636-K644 HydrophobicContact CG1-CD 3.7Å; V636-K644 HydrophobicContact CG1-CG 3.63Å; V636-K644 HydrophobicContact CG2-CD 3.86Å; V636-L646 HydrophobicContact CG2-CD2 3.91Å; V636-F924 WeakPolarHBondContact CB-O 3.1Å; V636-F924 HydrophobicContact CG1-CB 4.36Å; V636-F924 CarbonylContact O-C 3.5Å; V636-T925 WeakPolarHBondContact O-CA 3.37Å; V636-T925 PolarHBondContact O-N 3.45Å; V636-E927 HydrophobicContact CB-CB 4.2Å; V636-E927 HydrophobicContact CG2-CB 3.82Å; V636-A928 WeakPolarHBondContact CG2-O 3.1Å
637	L	90.4	Very high	86.9	Confident	14 Å²	14	43 Å²	43	7%	0.073	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-27.7	-178.2	-63.2	177.6	0	0	0	112.5	V645 L647 A658 Y713 V917 F920	L637-V645 HydrophobicContact CB-CB 4.45Å; L637-V645 HydrophobicContact CB-CG1 4.22Å; L637-V645 HydrophobicContact CD1-CG1 4.37Å; L637-V645 PolarHBondContact N-O 2.84Å; L637-L647 HydrophobicContact CD1-CB 3.96Å; L637-L647 HydrophobicContact CD2-CB 3.96Å; L637-L647 HydrophobicContact CG-CB 3.89Å; L637-A658 HydrophobicContact CD1-CB 4.25Å; L637-Y713 HydrophobicContact CD1-CD2 3.84Å; L637-Y713 HydrophobicContact CD1-CE2 3.61Å; L637-Y713 HydrophobicContact CD2-CE2 4.07Å; L637-V917 HydrophobicContact CD2-CB 4.49Å; L637-V917 HydrophobicContact CD2-CG1 3.76Å; L637-F920 HydrophobicContact CB-CD1 3.97Å; L637-F920 HydrophobicContact CB-CE1 4.06Å; L637-F920 HydrophobicContact CD1-CE1 4.31Å; L637-F920 HydrophobicContact CD1-CZ 4.43Å; L637-F920 HydrophobicContact CD2-CD1 3.84Å; L637-F920 HydrophobicContact CD2-CD2 3.95Å; L637-F920 HydrophobicContact CD2-CE1 3.9Å; L637-F920 HydrophobicContact CD2-CE2 4.02Å; L637-F920 HydrophobicContact CD2-CG 3.86Å; L637-F920 HydrophobicContact CD2-CZ 3.99Å; L637-F920 HydrophobicContact CG-CD1 4.43Å; L637-F920 HydrophobicContact CG-CE1 4.31Å
638	G	86.5	Confident	87.2	Confident	13 Å²	13	41 Å²	41	13%	0.134	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	164	-176.9	0	0	0	0	0	113.2	V645	G638-V645 PolarHBondContact O-N 3.3Å
639	R	79.1	Confident	87.5	Confident	143 Å²	143	40.7 Å²	40.7	54%	0.54	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	125.7	-178.3	-174.7	173.7	177.4	170.4	-7.3	110.6	F924 E927	R639-F924 HydrophobicContact CB-CD1 4.18Å; R639-F924 HydrophobicContact CB-CE1 4.07Å; R639-E927 IonicContact NH1-OE1 2.97Å; R639-E927 PolarHBondContact NH1-OE1 3.37Å; R639-E927 IonicContact NH1-OE2 3.75Å
640	G	67.4	Low	87.6	Confident	49 Å²	49	33.6 Å²	33.6	51%	0.505	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	175.5	176.2	0	0	0	0	0	112.3	F642 G643	G640-F642 PolarHBondContact O-N 2.96Å; G640-G643 PolarHBondContact N-O 2.93Å
641	H	61.4	Low	87.6	Confident	95 Å²	95	37.9 Å²	37.9	44%	0.44	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.6	174.1	171.4	-102.5	0	0	0	113.4	R670	H641-R670 PolarHBondContact CE1-NH1 3.39Å; H641-R670 PolarHBondContact CE1-NH2 3.2Å; H641-R670 VanDerWaalsContact CE1-NH2 3.26Å; H641-R670 PolarHBondContact NE2-NH1 3.13Å; H641-R670 PolarHBondContact NE2-NH2 2.98Å
642	F	59.7	Low	87.3	Confident	52 Å²	52	43.9 Å²	43.9	23%	0.228	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-12	-174.1	-68	-66.2	0	0	0	116.1	S495 G640 L662 E672	S495-F642 VanDerWaalsContact CB-CZ 3.44Å; G640-F642 PolarHBondContact O-N 2.96Å; F642-L662 HydrophobicContact CB-CD2 4.04Å; F642-L662 HydrophobicContact CB-CG 4.49Å; F642-L662 WeakPolarHBondContact O-CA 3.46Å; F642-E672 WeakPolarHBondContact CE1-OE2 3.32Å; F642-E672 WeakPolarHBondContact CZ-OE2 3.4Å
643	G	77.3	Confident	87.1	Confident	22 Å²	22	43.8 Å²	43.8	23%	0.227	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.7	-176.8	-163.5	0	0	0	0	0	114.9	G640 A661	G640-G643 PolarHBondContact N-O 2.93Å; G643-A661 CarbonylContact C-O 3.53Å; G643-A661 WeakPolarHBondContact CA-O 3.21Å
644	K	89.2	Confident	86.8	Confident	12 Å²	12	42.8 Å²	42.8	5%	0.052	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141	-179.1	-179.1	179.3	-89	-160	0	108.9	V636 L646 A661 E927 A928	V636-K644 HydrophobicContact CB-CD 4.42Å; V636-K644 HydrophobicContact CG1-CD 3.7Å; V636-K644 HydrophobicContact CG1-CG 3.63Å; V636-K644 HydrophobicContact CG2-CD 3.86Å; K644-L646 HydrophobicContact CD-CD2 3.93Å; K644-L646 HydrophobicContact CD-CG 4.25Å; K644-L646 HydrophobicContact CG-CD2 4.35Å; K644-L646 HydrophobicContact CG-CG 4.23Å; K644-A661 PolarHBondContact N-O 2.97Å; K644-A661 PolarHBondContact O-N 3.44Å; K644-E927 VanDerWaalsContact CE-OE2 3.24Å; K644-E927 WeakPolarHBondContact CE-OE2 2.98Å; K644-E927 IonicContact NZ-OE2 3.9Å; K644-E927 PolarHBondContact NZ-OE2 3Å; K644-A928 PolarHBondContact NZ-O 3.22Å
645	V	92.9	Very high	86.7	Confident	39 Å²	39	43.6 Å²	43.6	24%	0.236	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.3	173.3	-172.9	0	0	0	0	108.7	L637 G638 A658 I659 K660	L637-V645 HydrophobicContact CB-CB 4.45Å; L637-V645 HydrophobicContact CB-CG1 4.22Å; L637-V645 HydrophobicContact CD1-CG1 4.37Å; L637-V645 PolarHBondContact N-O 2.84Å; G638-V645 PolarHBondContact O-N 3.3Å; V645-A658 HydrophobicContact CG1-CB 4.17Å; V645-I659 CarbonylContact C-O 3.45Å; V645-I659 WeakPolarHBondContact CA-O 3.46Å; V645-K660 HydrophobicContact CG2-CB 4.37Å; V645-K660 HydrophobicContact CG2-CG 4.43Å
646	L	94.7	Very high	86.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.4	-172.2	-71.2	161.5	0	0	0	111	L633 A635 V636 K644 S648 I659 P929 L931	L633-L646 HydrophobicContact CD1-CD1 4.2Å; L633-L646 HydrophobicContact CD2-CB 4.48Å; L633-L646 HydrophobicContact CD2-CD1 4.26Å; A635-L646 CarbonylContact O-C 3.51Å; A635-L646 WeakPolarHBondContact O-CA 3.43Å; V636-L646 HydrophobicContact CG2-CD2 3.91Å; K644-L646 HydrophobicContact CD-CD2 3.93Å; K644-L646 HydrophobicContact CD-CG 4.25Å; K644-L646 HydrophobicContact CG-CD2 4.35Å; K644-L646 HydrophobicContact CG-CG 4.23Å; L646-S648 PolarHBondContact O-N 2.82Å; L646-S648 PolarHBondContact O-OG 2.69Å; L646-S648 VanDerWaalsContact O-OG 3.09Å; L646-I659 HydrophobicContact CB-CB 4.45Å; L646-I659 PolarHBondContact N-O 2.93Å; L646-I659 PolarHBondContact O-N 2.92Å; L646-P929 HydrophobicContact CD2-CB 4.32Å; L646-L931 HydrophobicContact CD1-CD2 3.8Å
647	L	96	Very high	86.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	125.7	164.2	178	57.3	0	0	0	108.4	I634 A635 L637 Q656 Y713 V917	I634-L647 HydrophobicContact CB-CB 4.45Å; I634-L647 HydrophobicContact CB-CD2 4.32Å; I634-L647 HydrophobicContact CB-CG 4.12Å; I634-L647 HydrophobicContact CD1-CG 4.35Å; I634-L647 HydrophobicContact CG2-CD2 3.95Å; I634-L647 HydrophobicContact CG2-CG 4.32Å; I634-L647 PolarHBondContact N-O 2.93Å; A635-L647 HydrophobicContact CB-CB 4.21Å; A635-L647 PolarHBondContact O-N 3.32Å; L637-L647 HydrophobicContact CD1-CB 3.96Å; L637-L647 HydrophobicContact CD2-CB 3.96Å; L637-L647 HydrophobicContact CG-CB 3.89Å; L647-Q656 HydrophobicContact CD1-CB 4.14Å; L647-Y713 HydrophobicContact CD1-CD1 3.64Å; L647-Y713 HydrophobicContact CD1-CD2 3.73Å; L647-Y713 HydrophobicContact CD1-CE1 3.7Å; L647-Y713 HydrophobicContact CD1-CE2 3.81Å; L647-Y713 HydrophobicContact CD1-CG 3.66Å; L647-Y713 HydrophobicContact CD2-CE1 4.33Å; L647-V917 HydrophobicContact CD2-CG1 3.64Å
648	S	96.1	Very high	87.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	129.1	-171.2	-51.8	0	0	0	0	111.9	K632 L633 L646 Q656 Y657 I659	K632-S648 CarbonylContact O-C 3.55Å; K632-S648 VanDerWaalsContact O-CA 3.29Å; K632-S648 WeakPolarHBondContact O-CA 3.41Å; L633-S648 VanDerWaalsContact CD2-OG 3.29Å; L633-S648 WeakPolarHBondContact CD2-OG 3.44Å; L646-S648 PolarHBondContact O-N 2.82Å; L646-S648 PolarHBondContact O-OG 2.69Å; L646-S648 VanDerWaalsContact O-OG 3.09Å; S648-Q656 PolarHBondContact O-OE1 2.96Å; S648-Y657 PolarHBondContact N-O 3.25Å; S648-Y657 PolarHBondContact O-N 3.5Å; S648-I659 WeakPolarHBondContact OG-CD1 3.39Å; S648-I659 WeakPolarHBondContact OG-CG1 3.36Å
649	E	95.4	Very high	87.5	Confident	43 Å²	43	45.2 Å²	45.2	20%	0.201	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	128.9	175.8	-179.9	-169.8	162.5	0	0	110.3	F631 K632 I634 K651 S655	F631-E649 CarbonylContact C-O 3.52Å; F631-E649 WeakPolarHBondContact CA-O 3.2Å; K632-E649 HydrophobicContact CB-CB 4.32Å; K632-E649 WeakPolarHBondContact CD-OE2 3.31Å; K632-E649 PolarHBondContact N-O 2.78Å; K632-E649 IonicContact NZ-OE2 3.97Å; K632-E649 PolarHBondContact NZ-OE2 3Å; K632-E649 PolarHBondContact O-N 3.12Å; I634-E649 HydrophobicContact CD1-CB 3.72Å; E649-K651 PolarHBondContact O-N 2.92Å; E649-S655 WeakPolarHBondContact CA-O 3.45Å
650	Y	94.3	Very high	88.3	Confident	12 Å²	12	39.7 Å²	39.7	5%	0.047	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	108	174.5	-175.6	-127.8	0	0	0	110.6	L626 D630 F631 K652 T653 G654 S655 Y657	L626-Y650 HydrophobicContact CD2-CE2 3.5Å; L626-Y650 VanDerWaalsContact CD2-CE2 3.5Å; L626-Y650 WeakPolarHBondContact CD2-OH 3.49Å; D630-Y650 HydrophobicContact CB-CD2 4.16Å; D630-Y650 HydrophobicContact CB-CE2 3.69Å; F631-Y650 HydrophobicContact CD1-CD2 4.05Å; F631-Y650 AromaticContact CE1-CD2 3.62Å; F631-Y650 HydrophobicContact CE1-CD2 3.62Å; F631-Y650 HydrophobicContact CE1-CG 4.1Å; F631-Y650 HydrophobicContact CE2-CD2 4.22Å; F631-Y650 AromaticContact CZ-CD2 3.71Å; F631-Y650 HydrophobicContact CZ-CD2 3.71Å; F631-Y650 HydrophobicContact CZ-CE2 4.22Å; Y650-K652 HydrophobicContact CD1-CB 4.33Å; Y650-K652 HydrophobicContact CE1-CB 3.83Å; Y650-K652 HydrophobicContact CE1-CD 4.36Å; Y650-K652 HydrophobicContact CE1-CG 4.27Å; Y650-K652 PolarHBondContact O-N 3.26Å; Y650-K652 WeakPolarHBondContact OH-CD 3.41Å; Y650-T653 HydrophobicContact CD1-CG2 3.82Å; Y650-T653 WeakPolarHBondContact CD1-OG1 3.35Å; Y650-T653 HydrophobicContact CE1-CG2 4.11Å; Y650-T653 PolarHBondContact O-N 2.56Å; Y650-T653 PolarHBondContact O-OG1 2.65Å; Y650-G654 PolarHBondContact O-N 3.1Å; Y650-S655 PolarHBondContact N-O 2.83Å; Y650-Y657 HydrophobicContact CG-CE2 4.44Å
651	K	92.9	Very high	89.5	Confident	122 Å²	122	37.5 Å²	37.5	53%	0.53	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-26.2	-166.2	-69.3	171.4	-179.4	162.9	0	115.1	Q629 D630 F631 K632 E649 T653	Q629-K651 PolarHBondContact O-NZ 3.43Å; D630-K651 VanDerWaalsContact O-CB 3.31Å; D630-K651 WeakPolarHBondContact O-CB 3.21Å; D630-K651 VanDerWaalsContact O-CG 3.29Å; D630-K651 WeakPolarHBondContact O-CG 3.49Å; D630-K651 PolarHBondContact O-N 3.11Å; F631-K651 WeakPolarHBondContact O-CE 3.27Å; F631-K651 PolarHBondContact O-NZ 3.07Å; K632-K651 HydrophobicContact CB-CG 4.44Å; E649-K651 PolarHBondContact O-N 2.92Å; K651-T653 VanDerWaalsContact C-N 3.34Å
652	K	88.9	Confident	90.9	Very high	134 Å²	134	33.4 Å²	33.4	58%	0.583	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-19	179.8	-56.1	-172.1	-165.8	166.6	0	113.7	D630 Y650	D630-K652 WeakPolarHBondContact OD1-CE 3.45Å; D630-K652 IonicContact OD1-NZ 3.91Å; Y650-K652 HydrophobicContact CD1-CB 4.33Å; Y650-K652 HydrophobicContact CE1-CB 3.83Å; Y650-K652 HydrophobicContact CE1-CD 4.36Å; Y650-K652 HydrophobicContact CE1-CG 4.27Å; Y650-K652 PolarHBondContact O-N 3.26Å; Y650-K652 WeakPolarHBondContact OH-CD 3.41Å
653	T	89.9	Confident	92.4	Very high	81 Å²	81	32.1 Å²	32.1	50%	0.497	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-22	-172.4	61.7	0	0	0	0	114.2	Y650 K651 S655	Y650-T653 HydrophobicContact CD1-CG2 3.82Å; Y650-T653 WeakPolarHBondContact CD1-OG1 3.35Å; Y650-T653 HydrophobicContact CE1-CG2 4.11Å; Y650-T653 PolarHBondContact O-N 2.56Å; Y650-T653 PolarHBondContact O-OG1 2.65Å; K651-T653 VanDerWaalsContact C-N 3.34Å; T653-S655 PolarHBondContact O-N 3.48Å; T653-S655 WeakPolarHBondContact OG1-CB 3.44Å; T653-S655 PolarHBondContact OG1-N 2.97Å; T653-S655 PolarHBondContact OG1-OG 3.14Å
654	G	90	Very high	93	Very high	23 Å²	23	31.2 Å²	31.2	24%	0.237	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	12.9	-169.8	0	0	0	0	0	114	Y650	Y650-G654 PolarHBondContact O-N 3.1Å
655	S	91.8	Very high	92.9	Very high	52 Å²	52	31.5 Å²	31.5	36%	0.364	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	144.5	176.1	-62.2	0	0	0	0	111.5	E649 Y650 T653	E649-S655 WeakPolarHBondContact CA-O 3.45Å; Y650-S655 PolarHBondContact N-O 2.83Å; T653-S655 PolarHBondContact O-N 3.48Å; T653-S655 WeakPolarHBondContact OG1-CB 3.44Å; T653-S655 PolarHBondContact OG1-N 2.97Å; T653-S655 PolarHBondContact OG1-OG 3.14Å
656	Q	94.6	Very high	92.6	Very high	30 Å²	30	32 Å²	32	14%	0.14	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	138.1	-176.9	-64.7	-66.7	-7.3	0	0	111.8	I634 L647 S648 Y713 K914	I634-Q656 VanDerWaalsContact CD1-OE1 3.23Å; L647-Q656 HydrophobicContact CD1-CB 4.14Å; S648-Q656 PolarHBondContact O-OE1 2.96Å; Q656-Y713 HydrophobicContact CB-CD1 3.86Å; Q656-Y713 HydrophobicContact CB-CG 4.36Å; Q656-K914 HydrophobicContact CG-CB 4.38Å
657	Y	95.3	Very high	92.2	Very high	32 Å²	32	32.2 Å²	32.2	13%	0.125	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.7	-179.2	-64.4	-79.8	0	0	0	111.2	F631 S648 Y650 F698 V710 M711	F631-Y657 HydrophobicContact CE1-CD2 4.19Å; S648-Y657 PolarHBondContact N-O 3.25Å; S648-Y657 PolarHBondContact O-N 3.5Å; Y650-Y657 HydrophobicContact CG-CE2 4.44Å; Y657-F698 HydrophobicContact CD1-CB 3.97Å; Y657-F698 HydrophobicContact CD1-CD1 4.46Å; Y657-F698 HydrophobicContact CD1-CD2 4.5Å; Y657-F698 HydrophobicContact CD1-CG 4.08Å; Y657-F698 HydrophobicContact CE1-CB 3.77Å; Y657-F698 HydrophobicContact CE1-CD1 4.09Å; Y657-F698 AromaticContact CE1-CD2 3.52Å; Y657-F698 HydrophobicContact CE1-CD2 3.52Å; Y657-F698 HydrophobicContact CE1-CE2 4.05Å; Y657-F698 AromaticContact CE1-CG 3.52Å; Y657-F698 HydrophobicContact CE1-CG 3.52Å; Y657-F698 HydrophobicContact CE2-CE1 4.48Å; Y657-F698 HydrophobicContact CE2-CZ 4.49Å; Y657-F698 AromaticContact CZ-CD2 3.71Å; Y657-F698 AromaticContact CZ-CE2 3.73Å; Y657-F698 AromaticContact CZ-CG 3.93Å; Y657-F698 AromaticContact CZ-CZ 3.97Å; Y657-F698 WeakPolarHBondContact OH-CD2 3.42Å; Y657-F698 WeakPolarHBondContact OH-CE2 3.36Å; Y657-V710 HydrophobicContact CD1-CG1 4.06Å; Y657-V710 HydrophobicContact CG-CG1 3.83Å; Y657-M711 WeakPolarHBondContact CA-O 3.29Å; Y657-M711 WeakPolarHBondContact CB-O 3.42Å; Y657-M711 WeakPolarHBondContact CD1-O 3.38Å
658	A	95.5	Very high	91.9	Very high	8 Å²	8	33.5 Å²	33.5	7%	0.066	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	110	171.5	0	0	0	0	0	109.7	L637 V645 M711	L637-A658 HydrophobicContact CD1-CB 4.25Å; V645-A658 HydrophobicContact CG1-CB 4.17Å; A658-M711 HydrophobicContact CB-CE 4.16Å; A658-M711 PolarHBondContact N-O 3.09Å; A658-M711 WeakPolarHBondContact O-CB 3.4Å; A658-M711 PolarHBondContact O-N 3.33Å
659	I	95.6	Very high	91.3	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	109.2	178.1	-57.1	-175.6	0	0	0	109.6	F631 V645 L646 S648 A661 C708 F709 V710	F631-I659 HydrophobicContact CB-CD1 4.13Å; F631-I659 HydrophobicContact CD1-CD1 3.86Å; F631-I659 HydrophobicContact CD2-CD1 4.09Å; F631-I659 HydrophobicContact CE1-CD1 4.29Å; F631-I659 HydrophobicContact CG-CD1 3.75Å; V645-I659 CarbonylContact C-O 3.45Å; V645-I659 WeakPolarHBondContact CA-O 3.46Å; L646-I659 HydrophobicContact CB-CB 4.45Å; L646-I659 PolarHBondContact N-O 2.93Å; L646-I659 PolarHBondContact O-N 2.92Å; S648-I659 WeakPolarHBondContact OG-CD1 3.39Å; S648-I659 WeakPolarHBondContact OG-CG1 3.36Å; I659-A661 PolarHBondContact O-N 3.49Å; I659-C708 HydrophobicContact CG2-CB 3.92Å; I659-F709 CarbonylContact C-O 3.47Å; I659-F709 VanDerWaalsContact CA-O 3.3Å; I659-F709 WeakPolarHBondContact CA-O 3.38Å; I659-V710 HydrophobicContact CD1-CG2 4.39Å; I659-V710 HydrophobicContact CG1-CG1 4.3Å; I659-V710 HydrophobicContact CG1-CG2 4.23Å
660	K	94.4	Very high	90.5	Very high	26 Å²	26	39 Å²	39	11%	0.113	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	105.2	168.9	178.9	-175.3	172.1	-174.3	0	108.1	V645 L662 E679 C708 F709 M711 D774	V645-K660 HydrophobicContact CG2-CB 4.37Å; V645-K660 HydrophobicContact CG2-CG 4.43Å; K660-L662 HydrophobicContact CD-CD1 4.31Å; K660-L662 HydrophobicContact CG-CD1 3.9Å; K660-E679 IonicContact NZ-OE1 2.99Å; K660-E679 PolarHBondContact NZ-OE1 3.04Å; K660-E679 IonicContact NZ-OE2 2.6Å; K660-E679 PolarHBondContact NZ-OE2 3.43Å; K660-C708 WeakPolarHBondContact O-CA 3.46Å; K660-F709 HydrophobicContact CB-CB 4.38Å; K660-F709 HydrophobicContact CD-CD2 4.47Å; K660-F709 PolarHBondContact N-O 3.08Å; K660-F709 PolarHBondContact O-N 3.02Å; K660-M711 HydrophobicContact CB-CE 3.69Å; K660-M711 HydrophobicContact CB-SD 4.35Å; K660-D774 IonicContact NZ-OD1 2.64Å; K660-D774 PolarHBondContact NZ-OD1 3.25Å
661	A	93.3	Very high	90	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.033	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.7	-179.3	0	0	0	0	0	111.2	G643 K644 I659 V707 L931	G643-A661 CarbonylContact C-O 3.53Å; G643-A661 WeakPolarHBondContact CA-O 3.21Å; K644-A661 PolarHBondContact N-O 2.97Å; K644-A661 PolarHBondContact O-N 3.44Å; I659-A661 PolarHBondContact O-N 3.49Å; A661-V707 WeakPolarHBondContact CA-O 3.37Å; A661-L931 HydrophobicContact CB-CD2 3.35Å
662	L	91.4	Very high	89.6	Confident	9 Å²	9	40.3 Å²	40.3	5%	0.047	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	149.9	179.2	-52.3	82.1	0	0	0	110.4	F642 K660 I667 L676 H706 V707 F709	F642-L662 HydrophobicContact CB-CD2 4.04Å; F642-L662 HydrophobicContact CB-CG 4.49Å; F642-L662 WeakPolarHBondContact O-CA 3.46Å; K660-L662 HydrophobicContact CD-CD1 4.31Å; K660-L662 HydrophobicContact CG-CD1 3.9Å; L662-I667 HydrophobicContact CB-CD1 3.88Å; L662-I667 HydrophobicContact CD2-CD1 4.4Å; L662-L676 HydrophobicContact CD2-CD1 4.17Å; L662-H706 CarbonylContact O-C 3.54Å; L662-H706 WeakPolarHBondContact O-CA 3.22Å; L662-H706 WeakPolarHBondContact O-CB 3.47Å; L662-V707 HydrophobicContact CB-CG2 3.89Å; L662-V707 HydrophobicContact CD1-CG2 4.34Å; L662-V707 PolarHBondContact N-O 3.22Å; L662-V707 PolarHBondContact O-N 2.63Å; L662-F709 HydrophobicContact CD1-CD2 3.7Å; L662-F709 HydrophobicContact CD1-CE2 3.76Å
663	K	90.1	Very high	89.7	Confident	25 Å²	25	35 Å²	35	11%	0.109	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.3	-179.3	-69.6	165.3	170.8	-173.5	0	111	G665 D666 I667 T932 P933	K663-G665 VanDerWaalsContact C-N 3.27Å; K663-G665 PolarHBondContact O-N 3.26Å; K663-D666 HydrophobicContact CB-CB 4.07Å; K663-D666 WeakPolarHBondContact CD-OD2 3.41Å; K663-D666 PolarHBondContact O-N 3.24Å; K663-I667 WeakPolarHBondContact O-CG1 3.37Å; K663-I667 PolarHBondContact O-N 3.48Å; K663-I667 VanDerWaalsContact O-N 3.15Å; K663-T932 WeakPolarHBondContact CE-O 3.49Å; K663-P933 WeakPolarHBondContact CE-O 3.46Å; K663-P933 PolarHBondContact NZ-O 2.91Å
664	K	90.8	Very high	89.6	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-57.3	-40.4	177.7	-74.3	177.6	165.5	179.2	0	112.2	D666 I667 V668 T703 E705 H706 V707 I940 F948	K664-D666 VanDerWaalsContact C-N 3.35Å; K664-D666 PolarHBondContact O-N 3.4Å; K664-I667 PolarHBondContact O-N 3.46Å; K664-V668 WeakPolarHBondContact O-CG2 3.45Å; K664-V668 PolarHBondContact O-N 3.28Å; K664-T703 WeakPolarHBondContact CE-O 3.42Å; K664-T703 PolarHBondContact NZ-O 3.15Å; K664-E705 PolarHBondContact N-O 2.86Å; K664-H706 WeakPolarHBondContact CE-O 3.14Å; K664-V707 HydrophobicContact CD-CG1 4.38Å; K664-V707 HydrophobicContact CG-CG1 3.87Å; K664-I940 HydrophobicContact CB-CD1 3.29Å; K664-I940 HydrophobicContact CD-CD1 4.38Å; K664-I940 HydrophobicContact CG-CD1 4.47Å; K664-F948 HydrophobicContact CB-CE2 3.94Å; K664-F948 HydrophobicContact CB-CZ 4.01Å; K664-F948 HydrophobicContact CD-CD2 3.93Å; K664-F948 HydrophobicContact CD-CE2 4.13Å; K664-F948 HydrophobicContact CD-CG 4.28Å; K664-F948 HydrophobicContact CG-CD1 4.4Å; K664-F948 HydrophobicContact CG-CD2 4.08Å; K664-F948 HydrophobicContact CG-CE1 4.21Å; K664-F948 HydrophobicContact CG-CE2 3.87Å; K664-F948 HydrophobicContact CG-CG 4.34Å; K664-F948 HydrophobicContact CG-CZ 3.94Å
665	G	87.7	Confident	89.4	Confident	19 Å²	19	37 Å²	37	20%	0.196	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-40.7	178.7	0	0	0	0	0	113.1	K663 A669	K663-G665 VanDerWaalsContact C-N 3.27Å; K663-G665 PolarHBondContact O-N 3.26Å; G665-A669 VanDerWaalsContact O-CB 3.25Å; G665-A669 WeakPolarHBondContact O-CB 3.27Å; G665-A669 PolarHBondContact O-N 3.1Å
666	D	85.8	Confident	89.4	Confident	49 Å²	49	34.8 Å²	34.8	26%	0.262	19%	0.189	S	C	.	.	H	α-helix	trans	-71.5	-34.8	179.4	-62.1	-4.2	0	0	0	111.1	K663 K664 R670	K663-D666 HydrophobicContact CB-CB 4.07Å; K663-D666 WeakPolarHBondContact CD-OD2 3.41Å; K663-D666 PolarHBondContact O-N 3.24Å; K664-D666 VanDerWaalsContact C-N 3.35Å; K664-D666 PolarHBondContact O-N 3.4Å; D666-R670 WeakPolarHBondContact O-CD 3.35Å; D666-R670 VanDerWaalsContact O-CG 3.29Å; D666-R670 WeakPolarHBondContact O-CG 3.35Å; D666-R670 PolarHBondContact O-N 3.18Å
667	I	87.2	Confident	89.2	Confident	5 Å²	5	34.4 Å²	34.4	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-67.3	-48.2	175.3	-64.6	161.9	0	0	0	110.9	L662 K663 K664 R670 D671 E672 V673 L676 V707 F948	L662-I667 HydrophobicContact CB-CD1 3.88Å; L662-I667 HydrophobicContact CD2-CD1 4.4Å; K663-I667 WeakPolarHBondContact O-CG1 3.37Å; K663-I667 PolarHBondContact O-N 3.48Å; K663-I667 VanDerWaalsContact O-N 3.15Å; K664-I667 PolarHBondContact O-N 3.46Å; I667-R670 PolarHBondContact O-N 3.36Å; I667-D671 PolarHBondContact O-N 2.95Å; I667-E672 HydrophobicContact CG2-CB 4.33Å; I667-E672 PolarHBondContact O-N 3.41Å; I667-E672 VanDerWaalsContact O-N 3.14Å; I667-V673 HydrophobicContact CG2-CG2 4.05Å; I667-L676 HydrophobicContact CD1-CD1 4.27Å; I667-L676 HydrophobicContact CD1-CD2 4.29Å; I667-V707 HydrophobicContact CD1-CG2 3.77Å; I667-F948 HydrophobicContact CB-CZ 4.44Å; I667-F948 HydrophobicContact CD1-CE1 4.49Å; I667-F948 HydrophobicContact CG2-CE1 4.2Å; I667-F948 HydrophobicContact CG2-CZ 4.2Å
668	V	88.2	Confident	89	Confident	27 Å²	27	33.4 Å²	33.4	16%	0.164	19%	0.186	C	C	.	.	H	α-helix	trans	-64.8	-40.7	178.8	172.4	0	0	0	0	111.2	K664 R670 D671 V673 E944 Y947 F948	K664-V668 WeakPolarHBondContact O-CG2 3.45Å; K664-V668 PolarHBondContact O-N 3.28Å; V668-R670 PolarHBondContact O-N 3.48Å; V668-R670 VanDerWaalsContact O-N 3.12Å; V668-D671 PolarHBondContact O-N 2.88Å; V668-V673 HydrophobicContact CG2-CG2 4.41Å; V668-E944 HydrophobicContact CG1-CB 4.45Å; V668-E944 HydrophobicContact CG1-CG 3.99Å; V668-E944 HydrophobicContact CG2-CB 4.47Å; V668-Y947 HydrophobicContact CG2-CD2 4.47Å; V668-F948 HydrophobicContact CG2-CE2 3.75Å; V668-F948 HydrophobicContact CG2-CZ 3.82Å
669	A	84.3	Confident	88.8	Confident	73 Å²	73	33.4 Å²	33.4	60%	0.603	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.9	177.6	0	0	0	0	0	113.9	G665	G665-A669 VanDerWaalsContact O-CB 3.25Å; G665-A669 WeakPolarHBondContact O-CB 3.27Å; G665-A669 PolarHBondContact O-N 3.1Å
670	R	78.4	Confident	88.7	Confident	84 Å²	84	34.3 Å²	34.3	32%	0.317	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-2.5	-178.1	-66.8	171.8	-175.4	-94.7	8.6	114.2	H641 D666 I667 V668 E672	H641-R670 PolarHBondContact CE1-NH1 3.39Å; H641-R670 PolarHBondContact CE1-NH2 3.2Å; H641-R670 VanDerWaalsContact CE1-NH2 3.26Å; H641-R670 PolarHBondContact NE2-NH1 3.13Å; H641-R670 PolarHBondContact NE2-NH2 2.98Å; D666-R670 WeakPolarHBondContact O-CD 3.35Å; D666-R670 VanDerWaalsContact O-CG 3.29Å; D666-R670 WeakPolarHBondContact O-CG 3.35Å; D666-R670 PolarHBondContact O-N 3.18Å; I667-R670 PolarHBondContact O-N 3.36Å; V668-R670 PolarHBondContact O-N 3.48Å; V668-R670 VanDerWaalsContact O-N 3.12Å; R670-E672 VanDerWaalsContact C-N 3.28Å; R670-E672 HydrophobicContact CB-CB 4.49Å; R670-E672 HydrophobicContact CB-CG 4.01Å; R670-E672 PolarHBondContact O-N 2.88Å
671	D	83.8	Confident	88.6	Confident	146 Å²	146	36.8 Å²	36.8	78%	0.781	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	32.2	-175	-157.6	32.8	0	0	0	113.7	I667 V668	I667-D671 PolarHBondContact O-N 2.95Å; V668-D671 PolarHBondContact O-N 2.88Å
672	E	85.1	Confident	88.6	Confident	17 Å²	17	36.6 Å²	36.6	8%	0.079	20%	0.195	C	C	.	.			trans	-98.3	17.6	-174.5	-73.5	175.1	161	0	0	113.4	S495 K496 F642 I667 R670 E674 S675 L676	S495-E672 WeakPolarHBondContact CB-OE1 3.34Å; S495-E672 PolarHBondContact OG-OE1 2.66Å; K496-E672 PolarHBondContact N-OE1 3.5Å; F642-E672 WeakPolarHBondContact CE1-OE2 3.32Å; F642-E672 WeakPolarHBondContact CZ-OE2 3.4Å; I667-E672 HydrophobicContact CG2-CB 4.33Å; I667-E672 PolarHBondContact O-N 3.41Å; I667-E672 VanDerWaalsContact O-N 3.14Å; R670-E672 VanDerWaalsContact C-N 3.28Å; R670-E672 HydrophobicContact CB-CB 4.49Å; R670-E672 HydrophobicContact CB-CG 4.01Å; R670-E672 PolarHBondContact O-N 2.88Å; E672-E674 PolarHBondContact O-N 3.41Å; E672-S675 VanDerWaalsContact O-CB 3.28Å; E672-S675 WeakPolarHBondContact O-CB 3.48Å; E672-S675 PolarHBondContact O-N 2.97Å; E672-L676 PolarHBondContact O-N 3.35Å
673	V	89.9	Confident	88.7	Confident	23 Å²	23	36.2 Å²	36.2	14%	0.139	19%	0.193	C	C	.	.	H	α-helix	trans	-59.9	-48.2	179.8	175.8	0	0	0	0	111.9	I667 V668 S675 L676 M677 Y947 F948	I667-V673 HydrophobicContact CG2-CG2 4.05Å; V668-V673 HydrophobicContact CG2-CG2 4.41Å; V673-S675 PolarHBondContact O-N 2.94Å; V673-L676 WeakPolarHBondContact O-CB 3.26Å; V673-L676 PolarHBondContact O-N 3.18Å; V673-L676 VanDerWaalsContact O-N 3.12Å; V673-M677 PolarHBondContact O-N 3.41Å; V673-Y947 HydrophobicContact CG2-CD2 4.28Å; V673-F948 HydrophobicContact CG2-CE1 4.41Å; V673-F948 HydrophobicContact CG2-CZ 4.12Å
674	E	87.9	Confident	88.7	Confident	119 Å²	119	38 Å²	38	56%	0.556	20%	0.202	S	C	*	.	H	α-helix	trans	-65.2	-29.8	178.8	-170.8	56.5	-135	0	0	111.4	E672 M677 C678 R681	E672-E674 PolarHBondContact O-N 3.41Å; E674-M677 PolarHBondContact O-N 2.91Å; E674-C678 VanDerWaalsContact O-CB 3.28Å; E674-C678 WeakPolarHBondContact O-CB 3.28Å; E674-C678 PolarHBondContact O-N 3.44Å; E674-R681 IonicContact OE1-CZ 3.45Å; E674-R681 IonicContact OE1-NH1 3.2Å; E674-R681 PolarHBondContact OE1-NH1 3.32Å; E674-R681 IonicContact OE1-NH2 2.76Å; E674-R681 PolarHBondContact OE1-NH2 3.45Å
675	S	87	Confident	88.7	Confident	25 Å²	25	40 Å²	40	18%	0.175	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-42	172.9	-178.9	0	0	0	0	112.1	K496 E672 V673 C678 E679	K496-S675 WeakPolarHBondContact CD-OG 3.29Å; K496-S675 WeakPolarHBondContact CE-OG 3.3Å; K496-S675 PolarHBondContact NZ-OG 2.86Å; E672-S675 VanDerWaalsContact O-CB 3.28Å; E672-S675 WeakPolarHBondContact O-CB 3.48Å; E672-S675 PolarHBondContact O-N 2.97Å; V673-S675 PolarHBondContact O-N 2.94Å; S675-C678 PolarHBondContact O-N 2.95Å; S675-E679 PolarHBondContact O-N 3.04Å
676	L	90.4	Very high	88.8	Confident	6 Å²	6	39.1 Å²	39.1	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-43.7	175.5	-179.6	82	0	0	0	111.3	L662 I667 E672 V673 E679 K680 V707 F709 F948 F951	L662-L676 HydrophobicContact CD2-CD1 4.17Å; I667-L676 HydrophobicContact CD1-CD1 4.27Å; I667-L676 HydrophobicContact CD1-CD2 4.29Å; E672-L676 PolarHBondContact O-N 3.35Å; V673-L676 WeakPolarHBondContact O-CB 3.26Å; V673-L676 PolarHBondContact O-N 3.18Å; V673-L676 VanDerWaalsContact O-N 3.12Å; L676-E679 WeakPolarHBondContact O-CB 3.16Å; L676-E679 PolarHBondContact O-N 3.02Å; L676-K680 PolarHBondContact O-N 2.96Å; L676-V707 HydrophobicContact CD1-CG2 3.88Å; L676-V707 HydrophobicContact CD2-CB 4.33Å; L676-V707 HydrophobicContact CD2-CG1 4.15Å; L676-V707 HydrophobicContact CD2-CG2 3.83Å; L676-F709 HydrophobicContact CD1-CE2 3.54Å; L676-F709 HydrophobicContact CD1-CZ 3.71Å; L676-F709 HydrophobicContact CG-CZ 4.36Å; L676-F948 HydrophobicContact CD2-CD1 3.75Å; L676-F948 HydrophobicContact CD2-CE1 3.68Å; L676-F951 HydrophobicContact CD1-CE2 4.06Å; L676-F951 HydrophobicContact CD2-CD2 3.77Å; L676-F951 HydrophobicContact CD2-CE2 3.82Å; L676-F951 HydrophobicContact CG-CD2 4.18Å; L676-F951 HydrophobicContact CG-CE2 3.86Å
677	M	91	Very high	88.9	Confident	22 Å²	22	37 Å²	37	11%	0.108	19%	0.194	C	C	.	.	H	α-helix	trans	-68.3	-35.5	178.8	-65.3	-58.2	-170.8	0	0	111.9	V673 E674 K680 R681 Y947 F951	V673-M677 PolarHBondContact O-N 3.41Å; E674-M677 PolarHBondContact O-N 2.91Å; M677-K680 WeakPolarHBondContact O-CB 3.33Å; M677-K680 PolarHBondContact O-N 3.44Å; M677-R681 WeakPolarHBondContact O-CG 3.48Å; M677-R681 PolarHBondContact O-N 3.25Å; M677-Y947 VanDerWaalsContact CE-O 3.23Å; M677-Y947 WeakPolarHBondContact CE-O 3.4Å; M677-F951 HydrophobicContact CE-CB 4.12Å; M677-F951 HydrophobicContact SD-CD2 4.3Å
678	C	90.2	Very high	88.9	Confident	12 Å²	12	41.2 Å²	41.2	8%	0.081	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-43.1	170.2	-175.2	0	0	0	0	111.9	E674 S675 K680 R681 I682	E674-C678 VanDerWaalsContact O-CB 3.28Å; E674-C678 WeakPolarHBondContact O-CB 3.28Å; E674-C678 PolarHBondContact O-N 3.44Å; S675-C678 PolarHBondContact O-N 2.95Å; C678-K680 VanDerWaalsContact C-N 3.31Å; C678-K680 PolarHBondContact O-N 3.17Å; C678-R681 PolarHBondContact O-N 2.94Å; C678-I682 VanDerWaalsContact O-CG1 3.32Å; C678-I682 WeakPolarHBondContact O-CG1 3.41Å; C678-I682 PolarHBondContact O-N 3.04Å
679	E	92.4	Very high	88.7	Confident	8 Å²	8	42.2 Å²	42.2	4%	0.037	23%	0.232	C	C	.	.	H	α-helix	trans	-57.8	-42.8	173.7	-176.2	175.8	-178.9	0	0	111.4	K660 S675 L676 I682 F683 F709 F775 G776	K660-E679 IonicContact NZ-OE1 2.99Å; K660-E679 PolarHBondContact NZ-OE1 3.04Å; K660-E679 IonicContact NZ-OE2 2.6Å; K660-E679 PolarHBondContact NZ-OE2 3.43Å; S675-E679 PolarHBondContact O-N 3.04Å; L676-E679 WeakPolarHBondContact O-CB 3.16Å; L676-E679 PolarHBondContact O-N 3.02Å; E679-I682 PolarHBondContact O-N 3.13Å; E679-F683 HydrophobicContact CG-CD2 4.09Å; E679-F683 HydrophobicContact CG-CE2 3.94Å; E679-F683 WeakPolarHBondContact O-CD2 3.27Å; E679-F683 PolarHBondContact O-N 3.29Å; E679-F683 VanDerWaalsContact O-N 3.08Å; E679-F709 HydrophobicContact CB-CZ 4.32Å; E679-F709 HydrophobicContact CG-CE1 4.44Å; E679-F709 HydrophobicContact CG-CZ 4.08Å; E679-F775 HydrophobicContact CG-CB 4.27Å; E679-G776 VanDerWaalsContact OE2-CA 3.31Å; E679-G776 WeakPolarHBondContact OE2-CA 3.48Å
680	K	92.9	Very high	88.9	Confident	19 Å²	19	43.9 Å²	43.9	8%	0.083	23%	0.227	C	C	.	.	H	α-helix	trans	-59.2	-51.8	173	174.4	179.9	168.3	170.5	0	112.5	L676 M677 C678 I682 F683 E684 F709 D950 F951 D952	L676-K680 PolarHBondContact O-N 2.96Å; M677-K680 WeakPolarHBondContact O-CB 3.33Å; M677-K680 PolarHBondContact O-N 3.44Å; C678-K680 VanDerWaalsContact C-N 3.31Å; C678-K680 PolarHBondContact O-N 3.17Å; K680-I682 PolarHBondContact O-N 2.86Å; K680-F683 WeakPolarHBondContact O-CB 3.33Å; K680-F683 PolarHBondContact O-N 3.47Å; K680-F683 VanDerWaalsContact O-N 3.13Å; K680-E684 WeakPolarHBondContact CE-OE1 3.47Å; K680-E684 IonicContact NZ-OE1 2.85Å; K680-E684 WeakPolarHBondContact O-CG 3.21Å; K680-E684 PolarHBondContact O-N 3.02Å; K680-F709 HydrophobicContact CB-CE1 4.14Å; K680-D950 PolarHBondContact NZ-O 3.02Å; K680-F951 WeakPolarHBondContact CD-O 3.25Å; K680-F951 WeakPolarHBondContact CE-O 3.35Å; K680-F951 VanDerWaalsContact NZ-C 3.29Å; K680-F951 PolarHBondContact NZ-O 3.1Å; K680-D952 PolarHBondContact NZ-O 3.48Å
681	R	93.4	Very high	89.6	Confident	78 Å²	78	40.6 Å²	40.6	29%	0.294	22%	0.216	S	C	.	.	H	α-helix	trans	-59.1	-35.7	-179.9	-70.8	-172	-62.4	-97.2	11.5	112.5	E674 M677 C678 E684 T685 E780	E674-R681 IonicContact OE1-CZ 3.45Å; E674-R681 IonicContact OE1-NH1 3.2Å; E674-R681 PolarHBondContact OE1-NH1 3.32Å; E674-R681 IonicContact OE1-NH2 2.76Å; E674-R681 PolarHBondContact OE1-NH2 3.45Å; M677-R681 WeakPolarHBondContact O-CG 3.48Å; M677-R681 PolarHBondContact O-N 3.25Å; C678-R681 PolarHBondContact O-N 2.94Å; R681-E684 PolarHBondContact O-N 2.83Å; R681-T685 PolarHBondContact O-N 3.23Å; R681-T685 PolarHBondContact O-OG1 3.45Å; R681-E780 IonicContact CZ-OE1 3.08Å; R681-E780 IonicContact CZ-OE2 2.9Å; R681-E780 IonicContact NE-OE1 3.69Å; R681-E780 PolarHBondContact NE-OE1 3.46Å; R681-E780 IonicContact NE-OE2 3.74Å; R681-E780 PolarHBondContact NE-OE2 3.1Å; R681-E780 VanDerWaalsContact NE-OE2 3.08Å; R681-E780 IonicContact NH2-OE1 3.32Å; R681-E780 PolarHBondContact NH2-OE1 3.29Å; R681-E780 IonicContact NH2-OE2 3.78Å
682	I	92.9	Very high	90.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-67.6	-44.9	176.2	-70.3	171.4	0	0	0	110.7	C678 E679 K680 E684 T685 V686 I752 F775 C778	C678-I682 VanDerWaalsContact O-CG1 3.32Å; C678-I682 WeakPolarHBondContact O-CG1 3.41Å; C678-I682 PolarHBondContact O-N 3.04Å; E679-I682 PolarHBondContact O-N 3.13Å; K680-I682 PolarHBondContact O-N 2.86Å; I682-E684 VanDerWaalsContact C-N 3.35Å; I682-E684 PolarHBondContact O-N 3.28Å; I682-T685 WeakPolarHBondContact O-CB 3.49Å; I682-T685 PolarHBondContact O-N 3.35Å; I682-V686 WeakPolarHBondContact O-CG2 3.49Å; I682-V686 PolarHBondContact O-N 3.46Å; I682-I752 HydrophobicContact CD1-CG2 3.85Å; I682-I752 HydrophobicContact CG1-CD1 4.03Å; I682-I752 HydrophobicContact CG1-CG1 4.3Å; I682-I752 HydrophobicContact CG1-CG2 4.27Å; I682-I752 HydrophobicContact CG2-CD1 4.28Å; I682-I752 HydrophobicContact CG2-CG2 4.38Å; I682-F775 HydrophobicContact CG2-CB 3.99Å; I682-F775 HydrophobicContact CG2-CD1 4.14Å; I682-F775 HydrophobicContact CG2-CG 4.03Å; I682-C778 HydrophobicContact CD1-CB 3.47Å; I682-C778 VanDerWaalsContact CD1-CB 3.47Å
683	F	92.6	Very high	90.7	Very high	1 Å²	1	34 Å²	34	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-59.9	-41.1	172.6	-86.4	-65	0	0	0	113	E679 K680 T685 V686 N687 L697 F709 M711 F775	E679-F683 HydrophobicContact CG-CD2 4.09Å; E679-F683 HydrophobicContact CG-CE2 3.94Å; E679-F683 WeakPolarHBondContact O-CD2 3.27Å; E679-F683 PolarHBondContact O-N 3.29Å; E679-F683 VanDerWaalsContact O-N 3.08Å; K680-F683 WeakPolarHBondContact O-CB 3.33Å; K680-F683 PolarHBondContact O-N 3.47Å; K680-F683 VanDerWaalsContact O-N 3.13Å; F683-T685 VanDerWaalsContact C-N 3.31Å; F683-T685 PolarHBondContact O-N 3.12Å; F683-V686 PolarHBondContact O-N 3.26Å; F683-N687 VanDerWaalsContact O-CB 3.3Å; F683-N687 WeakPolarHBondContact O-CB 2.97Å; F683-N687 VanDerWaalsContact O-CG 3.24Å; F683-N687 PolarHBondContact O-N 3.06Å; F683-N687 PolarHBondContact O-OD1 3.33Å; F683-L697 HydrophobicContact CB-CB 3.8Å; F683-L697 HydrophobicContact CB-CD2 3.64Å; F683-L697 HydrophobicContact CB-CG 4.25Å; F683-L697 HydrophobicContact CD1-CB 3.66Å; F683-L697 HydrophobicContact CE1-CB 4.33Å; F683-L697 HydrophobicContact CG-CB 3.86Å; F683-L697 HydrophobicContact CG-CD1 4.43Å; F683-L697 HydrophobicContact CG-CD2 4.17Å; F683-L697 HydrophobicContact CG-CG 4.38Å; F683-F709 HydrophobicContact CD2-CD1 4Å; F683-F709 HydrophobicContact CD2-CE1 4.08Å; F683-F709 HydrophobicContact CE2-CD1 4.04Å; F683-F709 HydrophobicContact CE2-CE1 4.33Å; F683-F709 HydrophobicContact CE2-CG 4.47Å; F683-M711 HydrophobicContact CE1-CG 4.4Å; F683-M711 HydrophobicContact CE1-SD 4.36Å; F683-M711 HydrophobicContact CZ-CG 4.15Å; F683-M711 HydrophobicContact CZ-SD 3.73Å; F683-F775 AromaticContact CD1-CD2 3.82Å; F683-F775 HydrophobicContact CD1-CD2 3.82Å; F683-F775 AromaticContact CD1-CE2 3.93Å; F683-F775 HydrophobicContact CD1-CE2 3.93Å; F683-F775 HydrophobicContact CD2-CD2 4.37Å; F683-F775 AromaticContact CE1-CD2 3.47Å; F683-F775 HydrophobicContact CE1-CD2 3.47Å; F683-F775 VanDerWaalsContact CE1-CD2 3.47Å; F683-F775 AromaticContact CE1-CE2 3.56Å; F683-F775 HydrophobicContact CE1-CE2 3.56Å; F683-F775 HydrophobicContact CE2-CD2 4.05Å; F683-F775 HydrophobicContact CG-CD2 4.28Å; F683-F775 AromaticContact CZ-CD2 3.6Å; F683-F775 HydrophobicContact CZ-CD2 3.6Å; F683-F775 HydrophobicContact CZ-CE2 4.1Å
684	E	90.6	Very high	91	Very high	62 Å²	62	33 Å²	33	29%	0.29	18%	0.176	S	C	.	.	H	α-helix	trans	-61.1	-40.1	175.1	-70	173	165.6	0	0	111.6	K680 R681 I682 S688 Y953	K680-E684 WeakPolarHBondContact CE-OE1 3.47Å; K680-E684 IonicContact NZ-OE1 2.85Å; K680-E684 WeakPolarHBondContact O-CG 3.21Å; K680-E684 PolarHBondContact O-N 3.02Å; R681-E684 PolarHBondContact O-N 2.83Å; I682-E684 VanDerWaalsContact C-N 3.35Å; I682-E684 PolarHBondContact O-N 3.28Å; E684-S688 PolarHBondContact O-N 3.14Å; E684-Y953 HydrophobicContact CG-CD2 4.18Å; E684-Y953 HydrophobicContact CG-CE1 4.44Å; E684-Y953 HydrophobicContact CG-CE2 3.91Å; E684-Y953 VanDerWaalsContact OE1-CD2 3.28Å; E684-Y953 WeakPolarHBondContact OE1-CD2 3.43Å
685	T	91.3	Very high	91.3	Very high	44 Å²	44	27.5 Å²	27.5	27%	0.27	15%	0.15	S	C	.	.	H	α-helix	trans	-64.8	-48.7	175.2	-55.3	0	0	0	0	111.5	R681 I682 F683 N687 S688 H750 I752	R681-T685 PolarHBondContact O-N 3.23Å; R681-T685 PolarHBondContact O-OG1 3.45Å; I682-T685 WeakPolarHBondContact O-CB 3.49Å; I682-T685 PolarHBondContact O-N 3.35Å; F683-T685 VanDerWaalsContact C-N 3.31Å; F683-T685 PolarHBondContact O-N 3.12Å; T685-N687 PolarHBondContact O-N 3.42Å; T685-S688 PolarHBondContact O-N 3.46Å; T685-S688 PolarHBondContact O-OG 3.09Å; T685-H750 HydrophobicContact CG2-CB 4.19Å; T685-I752 HydrophobicContact CG2-CD1 4.31Å
686	V	89.6	Confident	91.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.5	-48.5	177.3	169.6	0	0	0	0	110.8	I682 F683 S688 S689 H690 L694 F746 L747 F775	I682-V686 WeakPolarHBondContact O-CG2 3.49Å; I682-V686 PolarHBondContact O-N 3.46Å; F683-V686 PolarHBondContact O-N 3.26Å; V686-S688 VanDerWaalsContact C-N 3.27Å; V686-S688 PolarHBondContact O-N 2.97Å; V686-S689 PolarHBondContact O-N 2.8Å; V686-S689 VanDerWaalsContact O-N 3.1Å; V686-S689 PolarHBondContact O-OG 2.94Å; V686-H690 PolarHBondContact O-N 3.46Å; V686-L694 HydrophobicContact CB-CD1 4.47Å; V686-L694 HydrophobicContact CG1-CB 3.64Å; V686-L694 HydrophobicContact CG1-CD1 3.92Å; V686-L694 HydrophobicContact CG1-CG 4.43Å; V686-L694 HydrophobicContact CG2-CD1 3.77Å; V686-F746 HydrophobicContact CG2-CE1 4.06Å; V686-L747 HydrophobicContact CG2-CD2 4.22Å; V686-F775 HydrophobicContact CG2-CZ 4.46Å
687	N	87.8	Confident	91.6	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-54.2	-41.5	178.1	-83	0.1	0	0	0	112.8	F683 T685 S689 H690 L697 Y953	F683-N687 VanDerWaalsContact O-CB 3.3Å; F683-N687 WeakPolarHBondContact O-CB 2.97Å; F683-N687 VanDerWaalsContact O-CG 3.24Å; F683-N687 PolarHBondContact O-N 3.06Å; F683-N687 PolarHBondContact O-OD1 3.33Å; T685-N687 PolarHBondContact O-N 3.42Å; N687-S689 PolarHBondContact O-N 3.26Å; N687-H690 PolarHBondContact O-CE1 2.88Å; N687-H690 PolarHBondContact O-N 2.89Å; N687-H690 VanDerWaalsContact O-N 3.17Å; N687-H690 PolarHBondContact O-ND1 3.01Å; N687-L697 PolarHBondContact ND2-O 2.91Å; N687-L697 PolarHBondContact OD1-N 3.39Å; N687-L697 PolarHBondContact OD1-O 3.13Å; N687-Y953 PolarHBondContact ND2-OH 3.23Å
688	S	86.6	Confident	91.6	Very high	94 Å²	94	26.4 Å²	26.4	66%	0.657	14%	0.143	S	C	*	.	H	α-helix	trans	-61.1	-19.7	-177.5	75.8	0	0	0	0	114	E684 T685 V686	E684-S688 PolarHBondContact O-N 3.14Å; T685-S688 PolarHBondContact O-N 3.46Å; T685-S688 PolarHBondContact O-OG 3.09Å; V686-S688 VanDerWaalsContact C-N 3.27Å; V686-S688 PolarHBondContact O-N 2.97Å
689	S	85	Confident	91.8	Very high	49 Å²	49	25.9 Å²	25.9	34%	0.343	14%	0.139	S	C	.	.	H	α-helix	trans	-103.1	-17.5	179.9	74.3	0	0	0	0	114.8	V686 N687 H691 F746	V686-S689 PolarHBondContact O-N 2.8Å; V686-S689 VanDerWaalsContact O-N 3.1Å; V686-S689 PolarHBondContact O-OG 2.94Å; N687-S689 PolarHBondContact O-N 3.26Å; S689-H691 PolarHBondContact O-N 3.04Å; S689-H691 PolarHBondContact OG-N 3.08Å; S689-F746 WeakPolarHBondContact OG-CE2 3.38Å; S689-F746 WeakPolarHBondContact OG-CZ 3.35Å
690	H	87.4	Confident	91.9	Very high	107 Å²	107	25.6 Å²	25.6	50%	0.495	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	39.3	-168.1	-59.8	-58.3	0	0	0	114.5	V686 N687	V686-H690 PolarHBondContact O-N 3.46Å; N687-H690 PolarHBondContact O-CE1 2.88Å; N687-H690 PolarHBondContact O-N 2.89Å; N687-H690 VanDerWaalsContact O-N 3.17Å; N687-H690 PolarHBondContact O-ND1 3.01Å
691	H	93.4	Very high	92	Very high	16 Å²	16	24.8 Å²	24.8	7%	0.074	13%	0.134	C	C	.	.			trans	-57.1	124.2	-175.8	-169.8	-91.5	0	0	0	112	S689 F693 L694 L742 F746	S689-H691 PolarHBondContact O-N 3.04Å; S689-H691 PolarHBondContact OG-N 3.08Å; H691-F693 AromaticContact CE1-CD2 3.85Å; H691-F693 PolarHBondContact ND1-N 3.45Å; H691-F693 PolarHBondContact O-N 3.38Å; H691-F693 VanDerWaalsContact O-N 3.11Å; H691-L694 HydrophobicContact CB-CB 4.48Å; H691-L694 HydrophobicContact CB-CD1 4.1Å; H691-L694 HydrophobicContact CB-CG 4.28Å; H691-L694 PolarHBondContact O-N 3.09Å; H691-L742 PolarHBondContact NE2-O 2.99Å; H691-F746 HydrophobicContact CB-CD2 4.32Å; H691-F746 HydrophobicContact CB-CG 4.29Å; H691-F746 AromaticContact CD2-CD2 3.97Å; H691-F746 AromaticContact CD2-CG 3.98Å
692	P	94.7	Very high	92	Very high	25 Å²	25	23.4 Å²	23.4	16%	0.162	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-16.6	-165	26.9	-36.5	0	0	0	114.6	K771 L899 R901	P692-K771 VanDerWaalsContact O-CE 3.28Å; P692-K771 WeakPolarHBondContact O-CE 3.36Å; P692-L899 HydrophobicContact CG-CD1 3.87Å; P692-L899 WeakPolarHBondContact CG-O 3.41Å; P692-R901 HydrophobicContact CB-CG 4.14Å
693	F	97.1	Very high	91.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	15.6	-179	-51	-50.1	0	0	0	113.6	H691 C739 L742 F769 V770 K771 I772 L898 L899	H691-F693 AromaticContact CE1-CD2 3.85Å; H691-F693 PolarHBondContact ND1-N 3.45Å; H691-F693 PolarHBondContact O-N 3.38Å; H691-F693 VanDerWaalsContact O-N 3.11Å; F693-C739 HydrophobicContact CB-CB 4.46Å; F693-C739 HydrophobicContact CD1-CB 3.91Å; F693-C739 HydrophobicContact CD2-CB 4.29Å; F693-C739 HydrophobicContact CE1-CB 4.22Å; F693-C739 HydrophobicContact CG-CB 3.95Å; F693-L742 HydrophobicContact CD2-CB 3.89Å; F693-L742 HydrophobicContact CD2-CD1 4.16Å; F693-L742 HydrophobicContact CE2-CB 4.26Å; F693-L742 HydrophobicContact CE2-CD1 3.65Å; F693-F769 HydrophobicContact CD1-CB 4.49Å; F693-F769 HydrophobicContact CE1-CB 4.14Å; F693-F769 AromaticContact CE1-CD1 3.7Å; F693-F769 HydrophobicContact CE1-CD1 3.7Å; F693-F769 HydrophobicContact CE1-CG 4.24Å; F693-F769 HydrophobicContact CZ-CD1 4.3Å; F693-V770 WeakPolarHBondContact CB-O 3.15Å; F693-V770 VanDerWaalsContact CD1-O 3.31Å; F693-V770 WeakPolarHBondContact CD1-O 3.49Å; F693-K771 CarbonylContact O-C 3.52Å; F693-K771 WeakPolarHBondContact O-CA 3.2Å; F693-I772 PolarHBondContact O-N 3.47Å; F693-L898 HydrophobicContact CE2-CG 4.14Å; F693-L898 HydrophobicContact CZ-CD1 4.1Å; F693-L898 HydrophobicContact CZ-CG 3.94Å; F693-L898 VanDerWaalsContact CZ-O 3.31Å; F693-L898 WeakPolarHBondContact CZ-O 3.36Å; F693-L899 HydrophobicContact CE2-CD1 4.49Å
694	L	96.4	Very high	91.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-120.9	144.7	171.5	-60.4	-179.8	0	0	0	109	V686 H691 N696 F746 L747 I772 F775	V686-L694 HydrophobicContact CB-CD1 4.47Å; V686-L694 HydrophobicContact CG1-CB 3.64Å; V686-L694 HydrophobicContact CG1-CD1 3.92Å; V686-L694 HydrophobicContact CG1-CG 4.43Å; V686-L694 HydrophobicContact CG2-CD1 3.77Å; H691-L694 HydrophobicContact CB-CB 4.48Å; H691-L694 HydrophobicContact CB-CD1 4.1Å; H691-L694 HydrophobicContact CB-CG 4.28Å; H691-L694 PolarHBondContact O-N 3.09Å; L694-N696 PolarHBondContact O-N 3.07Å; L694-N696 PolarHBondContact O-ND2 3.18Å; L694-F746 HydrophobicContact CD1-CD1 3.43Å; L694-F746 VanDerWaalsContact CD1-CD1 3.43Å; L694-F746 HydrophobicContact CD1-CE1 3.98Å; L694-F746 HydrophobicContact CD1-CG 4.21Å; L694-L747 HydrophobicContact CD1-CD2 4.13Å; L694-L747 HydrophobicContact CD1-CG 4.26Å; L694-L747 HydrophobicContact CD2-CD1 4.41Å; L694-I772 HydrophobicContact CD2-CB 3.75Å; L694-I772 HydrophobicContact CD2-CD1 3.92Å; L694-I772 HydrophobicContact CD2-CG1 4.04Å; L694-F775 HydrophobicContact CB-CZ 4.2Å; L694-F775 HydrophobicContact CD2-CE1 4.23Å; L694-F775 HydrophobicContact CD2-CZ 4.19Å
695	V	94.6	Very high	91.6	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.024	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-73.1	123.3	175.5	172	0	0	0	0	110.1	M711 E712 L763 K771 I772 A773	V695-M711 HydrophobicContact CG1-CB 3.93Å; V695-M711 HydrophobicContact CG1-SD 4.49Å; V695-E712 HydrophobicContact CG1-CG 3.91Å; V695-L763 HydrophobicContact CG2-CD1 4.43Å; V695-K771 HydrophobicContact CG2-CB 3.84Å; V695-K771 HydrophobicContact CG2-CD 4.48Å; V695-I772 WeakPolarHBondContact CG2-O 3.27Å; V695-I772 PolarHBondContact N-O 3.08Å; V695-A773 HydrophobicContact CG2-CB 3.84Å
696	N	91.5	Very high	91.7	Very high	18 Å²	18	29.2 Å²	29.2	10%	0.096	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-83.4	149.1	-179.9	-65.4	-95.9	0	0	0	112.2	L694 M711 E712	L694-N696 PolarHBondContact O-N 3.07Å; L694-N696 PolarHBondContact O-ND2 3.18Å; N696-M711 WeakPolarHBondContact O-CA 3.46Å; N696-E712 HydrophobicContact CB-CG 4.46Å; N696-E712 PolarHBondContact N-OE1 3.08Å; N696-E712 PolarHBondContact ND2-OE1 2.73Å; N696-E712 PolarHBondContact O-N 2.93Å
697	L	93	Very high	91.9	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.6	175.9	-179.7	77	0	0	0	110.5	F683 N687 A699 F709 V710 M711 Y953 S955	F683-L697 HydrophobicContact CB-CB 3.8Å; F683-L697 HydrophobicContact CB-CD2 3.64Å; F683-L697 HydrophobicContact CB-CG 4.25Å; F683-L697 HydrophobicContact CD1-CB 3.66Å; F683-L697 HydrophobicContact CE1-CB 4.33Å; F683-L697 HydrophobicContact CG-CB 3.86Å; F683-L697 HydrophobicContact CG-CD1 4.43Å; F683-L697 HydrophobicContact CG-CD2 4.17Å; F683-L697 HydrophobicContact CG-CG 4.38Å; N687-L697 PolarHBondContact ND2-O 2.91Å; N687-L697 PolarHBondContact OD1-N 3.39Å; N687-L697 PolarHBondContact OD1-O 3.13Å; L697-A699 WeakPolarHBondContact CD1-O 3.38Å; L697-F709 HydrophobicContact CD1-CB 3.86Å; L697-F709 HydrophobicContact CD1-CD1 3.89Å; L697-F709 HydrophobicContact CD1-CG 4.39Å; L697-V710 WeakPolarHBondContact CD1-O 3.48Å; L697-M711 HydrophobicContact CD1-CG 4.35Å; L697-Y953 HydrophobicContact CD2-CD1 3.79Å; L697-Y953 HydrophobicContact CD2-CE1 3.95Å; L697-S955 WeakPolarHBondContact O-CB 3.33Å
698	F	91.3	Very high	92.2	Very high	12 Å²	12	29 Å²	29	5%	0.053	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-46.7	173.3	-177	-102.4	0	0	0	111.8	L626 Y657 V710 S955 L957 C958	L626-F698 HydrophobicContact CD1-CE1 4.28Å; Y657-F698 HydrophobicContact CD1-CB 3.97Å; Y657-F698 HydrophobicContact CD1-CD1 4.46Å; Y657-F698 HydrophobicContact CD1-CD2 4.5Å; Y657-F698 HydrophobicContact CD1-CG 4.08Å; Y657-F698 HydrophobicContact CE1-CB 3.77Å; Y657-F698 HydrophobicContact CE1-CD1 4.09Å; Y657-F698 AromaticContact CE1-CD2 3.52Å; Y657-F698 HydrophobicContact CE1-CD2 3.52Å; Y657-F698 HydrophobicContact CE1-CE2 4.05Å; Y657-F698 AromaticContact CE1-CG 3.52Å; Y657-F698 HydrophobicContact CE1-CG 3.52Å; Y657-F698 HydrophobicContact CE2-CE1 4.48Å; Y657-F698 HydrophobicContact CE2-CZ 4.49Å; Y657-F698 AromaticContact CZ-CD2 3.71Å; Y657-F698 AromaticContact CZ-CE2 3.73Å; Y657-F698 AromaticContact CZ-CG 3.93Å; Y657-F698 AromaticContact CZ-CZ 3.97Å; Y657-F698 WeakPolarHBondContact OH-CD2 3.42Å; Y657-F698 WeakPolarHBondContact OH-CE2 3.36Å; F698-V710 WeakPolarHBondContact CA-O 3.3Å; F698-V710 HydrophobicContact CB-CB 4.41Å; F698-V710 HydrophobicContact CB-CG1 4.13Å; F698-V710 WeakPolarHBondContact CB-O 3.28Å; F698-V710 HydrophobicContact CD1-CB 4.47Å; F698-V710 HydrophobicContact CD1-CG1 3.94Å; F698-V710 HydrophobicContact CG-CG1 4.46Å; F698-V710 PolarHBondContact N-O 3.15Å; F698-S955 WeakPolarHBondContact O-CB 3.37Å; F698-S955 PolarHBondContact O-N 3.37Å; F698-L957 HydrophobicContact CD2-CB 4.4Å; F698-L957 WeakPolarHBondContact CE2-O 3.48Å; F698-C958 HydrophobicContact CD2-CB 4.43Å; F698-C958 HydrophobicContact CE1-CB 4.1Å; F698-C958 HydrophobicContact CE2-CB 3.73Å; F698-C958 HydrophobicContact CZ-CB 3.54Å; F698-C958 WeakPolarHBondContact CZ-SG 3.37Å
699	A	93.1	Very high	92.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	160.6	-178.9	0	0	0	0	0	112.9	L626 L697 V710 Y953	L626-A699 HydrophobicContact CD1-CB 3.38Å; L697-A699 WeakPolarHBondContact CD1-O 3.38Å; A699-V710 HydrophobicContact CB-CB 4.29Å; A699-V710 HydrophobicContact CB-CG2 4.35Å; A699-V710 PolarHBondContact N-O 3.08Å; A699-V710 WeakPolarHBondContact O-CB 3.43Å; A699-V710 PolarHBondContact O-N 2.96Å; A699-Y953 CarbonylContact C-O 3.25Å; A699-Y953 VanDerWaalsContact CA-O 3.32Å; A699-Y953 WeakPolarHBondContact CA-O 3.49Å; A699-Y953 WeakPolarHBondContact CB-O 3.43Å
700	C	94.7	Very high	93.1	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.014	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.4	162.4	-69.2	0	0	0	0	109.7	C708 F709 F951 D952 Y953	C700-C708 WeakPolarHBondContact CA-O 3.32Å; C700-F709 WeakPolarHBondContact SG-CD1 3.46Å; C700-F951 HydrophobicContact CB-CD1 4.01Å; C700-F951 HydrophobicContact CB-CE1 3.57Å; C700-F951 HydrophobicContact CB-CZ 3.9Å; C700-F951 VanDerWaalsContact CB-O 3.23Å; C700-F951 WeakPolarHBondContact CB-O 3.34Å; C700-D952 WeakPolarHBondContact O-CA 3.32Å; C700-Y953 PolarHBondContact N-O 3.28Å; C700-Y953 PolarHBondContact O-N 3.06Å; C700-Y953 VanDerWaalsContact O-O 3.04Å
701	F	94.8	Very high	93.4	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	163.1	168.1	69.6	-95.4	0	0	0	111	L626 L628 F631 T703 C708 V710 F951	L626-F701 WeakPolarHBondContact O-CB 3.45Å; L628-F701 HydrophobicContact CB-CE2 3.9Å; L628-F701 HydrophobicContact CB-CZ 4.18Å; L628-F701 HydrophobicContact CD1-CE2 4.32Å; L628-F701 HydrophobicContact CD1-CZ 4.02Å; F631-F701 HydrophobicContact CD2-CE1 4.19Å; F631-F701 HydrophobicContact CE2-CD1 4.46Å; F631-F701 AromaticContact CE2-CE1 3.83Å; F631-F701 HydrophobicContact CE2-CE1 3.83Å; F701-T703 HydrophobicContact CE2-CG2 4.35Å; F701-C708 HydrophobicContact CD1-CB 4.11Å; F701-C708 HydrophobicContact CD2-CB 4.04Å; F701-C708 HydrophobicContact CE1-CB 3.79Å; F701-C708 HydrophobicContact CE2-CB 3.69Å; F701-C708 HydrophobicContact CG-CB 4.23Å; F701-C708 HydrophobicContact CZ-CB 3.56Å; F701-C708 PolarHBondContact N-O 3.37Å; F701-C708 WeakPolarHBondContact O-CB 3.43Å; F701-C708 PolarHBondContact O-N 3.36Å; F701-V710 HydrophobicContact CD1-CG2 3.83Å; F701-V710 HydrophobicContact CE1-CG2 3.56Å; F701-F951 WeakPolarHBondContact O-CE1 3.19Å
702	Q	93.4	Very high	93.4	Very high	50 Å²	50	19.5 Å²	19.5	23%	0.234	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	158.3	178.5	68.7	-167.3	-78.9	0	0	113.8	V707 F948 F951 D952	Q702-V707 HydrophobicContact CB-CG1 4.27Å; Q702-F948 PolarHBondContact NE2-O 3.24Å; Q702-F951 HydrophobicContact CB-CD1 4.39Å; Q702-D952 VanDerWaalsContact CG-OD1 3.32Å; Q702-D952 WeakPolarHBondContact CG-OD1 3.27Å; Q702-D952 PolarHBondContact N-OD1 3.01Å; Q702-D952 PolarHBondContact NE2-OD1 3.1Å
703	T	90.7	Very high	93.4	Very high	27 Å²	27	19.9 Å²	19.9	17%	0.166	10%	0.103	C	C	.	.			trans	-117.3	178.6	167.6	82.1	0	0	0	0	108.6	K664 F701 E705 H706	K664-T703 WeakPolarHBondContact CE-O 3.42Å; K664-T703 PolarHBondContact NZ-O 3.15Å; F701-T703 HydrophobicContact CE2-CG2 4.35Å; T703-E705 PolarHBondContact O-N 3.38Å; T703-E705 PolarHBondContact OG1-N 3.2Å; T703-H706 PolarHBondContact N-O 3.24Å; T703-H706 PolarHBondContact OG1-N 3.01Å; T703-H706 PolarHBondContact OG1-ND1 3.19Å
704	P	89.2	Confident	93.2	Very high	101 Å²	101	20.2 Å²	20.2	66%	0.656	11%	0.105	S	C	*	.	S	Bend	trans	-59.4	-27.7	171.6	-26.2	36.7	0	0	0	114	Q945	P704-Q945 PolarHBondContact O-NE2 3.21Å
705	E	89.1	Confident	93	Very high	92 Å²	92	20.5 Å²	20.5	43%	0.43	11%	0.108	S	C	.	.	S	Bend	trans	-115.3	-18.9	-173.4	-64.6	-173.3	168.8	0	0	114	K664 T703 P934	K664-E705 PolarHBondContact N-O 2.86Å; T703-E705 PolarHBondContact O-N 3.38Å; T703-E705 PolarHBondContact OG1-N 3.2Å; E705-P934 HydrophobicContact CB-CG 4.3Å; E705-P934 HydrophobicContact CG-CG 4.39Å; E705-P934 WeakPolarHBondContact OE2-CD 3.43Å
706	H	91.9	Very high	92.8	Very high	9 Å²	9	20.3 Å²	20.3	4%	0.042	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	159.5	-171.4	-54.2	84.3	0	0	0	112.9	L662 K664 T703 T932	L662-H706 CarbonylContact O-C 3.54Å; L662-H706 WeakPolarHBondContact O-CA 3.22Å; L662-H706 WeakPolarHBondContact O-CB 3.47Å; K664-H706 WeakPolarHBondContact CE-O 3.14Å; T703-H706 PolarHBondContact N-O 3.24Å; T703-H706 PolarHBondContact OG1-N 3.01Å; T703-H706 PolarHBondContact OG1-ND1 3.19Å; H706-T932 PolarHBondContact NE2-O 3.27Å
707	V	93.8	Very high	92.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.6	162.2	-71	0	0	0	0	108	A661 L662 K664 I667 L676 Q702 F948 F951	A661-V707 WeakPolarHBondContact CA-O 3.37Å; L662-V707 HydrophobicContact CB-CG2 3.89Å; L662-V707 HydrophobicContact CD1-CG2 4.34Å; L662-V707 PolarHBondContact N-O 3.22Å; L662-V707 PolarHBondContact O-N 2.63Å; K664-V707 HydrophobicContact CD-CG1 4.38Å; K664-V707 HydrophobicContact CG-CG1 3.87Å; I667-V707 HydrophobicContact CD1-CG2 3.77Å; L676-V707 HydrophobicContact CD1-CG2 3.88Å; L676-V707 HydrophobicContact CD2-CB 4.33Å; L676-V707 HydrophobicContact CD2-CG1 4.15Å; L676-V707 HydrophobicContact CD2-CG2 3.83Å; Q702-V707 HydrophobicContact CB-CG1 4.27Å; V707-F948 HydrophobicContact CG1-CD1 3.81Å; V707-F948 HydrophobicContact CG1-CE1 4.31Å; V707-F948 HydrophobicContact CG1-CG 4.36Å; V707-F951 HydrophobicContact CB-CD1 4.03Å; V707-F951 HydrophobicContact CB-CE1 3.66Å; V707-F951 HydrophobicContact CB-CE2 4.19Å; V707-F951 HydrophobicContact CB-CG 4.45Å; V707-F951 HydrophobicContact CB-CZ 3.76Å; V707-F951 HydrophobicContact CG1-CD1 3.96Å; V707-F951 HydrophobicContact CG1-CD2 4.4Å; V707-F951 HydrophobicContact CG1-CE1 4.13Å; V707-F951 HydrophobicContact CG1-CG 4.11Å; V707-F951 HydrophobicContact CG1-CZ 4.44Å; V707-F951 HydrophobicContact CG2-CZ 4.45Å
708	C	94.9	Very high	92.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.9	-171.8	-65.9	0	0	0	0	110.4	I659 K660 C700 F701	I659-C708 HydrophobicContact CG2-CB 3.92Å; K660-C708 WeakPolarHBondContact O-CA 3.46Å; C700-C708 WeakPolarHBondContact CA-O 3.32Å; F701-C708 HydrophobicContact CD1-CB 4.11Å; F701-C708 HydrophobicContact CD2-CB 4.04Å; F701-C708 HydrophobicContact CE1-CB 3.79Å; F701-C708 HydrophobicContact CE2-CB 3.69Å; F701-C708 HydrophobicContact CG-CB 4.23Å; F701-C708 HydrophobicContact CZ-CB 3.56Å; F701-C708 PolarHBondContact N-O 3.37Å; F701-C708 WeakPolarHBondContact O-CB 3.43Å; F701-C708 PolarHBondContact O-N 3.36Å
709	F	94.7	Very high	92.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.7	163.6	-61.5	-90.2	0	0	0	108.6	I659 K660 L662 L676 E679 K680 F683 L697 C700 M711 F951	I659-F709 CarbonylContact C-O 3.47Å; I659-F709 VanDerWaalsContact CA-O 3.3Å; I659-F709 WeakPolarHBondContact CA-O 3.38Å; K660-F709 HydrophobicContact CB-CB 4.38Å; K660-F709 HydrophobicContact CD-CD2 4.47Å; K660-F709 PolarHBondContact N-O 3.08Å; K660-F709 PolarHBondContact O-N 3.02Å; L662-F709 HydrophobicContact CD1-CD2 3.7Å; L662-F709 HydrophobicContact CD1-CE2 3.76Å; L676-F709 HydrophobicContact CD1-CE2 3.54Å; L676-F709 HydrophobicContact CD1-CZ 3.71Å; L676-F709 HydrophobicContact CG-CZ 4.36Å; E679-F709 HydrophobicContact CB-CZ 4.32Å; E679-F709 HydrophobicContact CG-CE1 4.44Å; E679-F709 HydrophobicContact CG-CZ 4.08Å; K680-F709 HydrophobicContact CB-CE1 4.14Å; F683-F709 HydrophobicContact CD2-CD1 4Å; F683-F709 HydrophobicContact CD2-CE1 4.08Å; F683-F709 HydrophobicContact CE2-CD1 4.04Å; F683-F709 HydrophobicContact CE2-CE1 4.33Å; F683-F709 HydrophobicContact CE2-CG 4.47Å; L697-F709 HydrophobicContact CD1-CB 3.86Å; L697-F709 HydrophobicContact CD1-CD1 3.89Å; L697-F709 HydrophobicContact CD1-CG 4.39Å; C700-F709 WeakPolarHBondContact SG-CD1 3.46Å; F709-M711 HydrophobicContact CB-CG 4.3Å; F709-F951 HydrophobicContact CD1-CZ 4.19Å; F709-F951 HydrophobicContact CD2-CZ 4.22Å; F709-F951 AromaticContact CE1-CE2 3.89Å; F709-F951 HydrophobicContact CE1-CE2 3.89Å; F709-F951 AromaticContact CE1-CZ 3.93Å; F709-F951 HydrophobicContact CE1-CZ 3.93Å; F709-F951 HydrophobicContact CE2-CE2 4.1Å; F709-F951 AromaticContact CE2-CZ 3.98Å; F709-F951 HydrophobicContact CE2-CZ 3.98Å; F709-F951 HydrophobicContact CG-CZ 4.33Å; F709-F951 AromaticContact CZ-CE2 3.63Å; F709-F951 HydrophobicContact CZ-CE2 3.63Å; F709-F951 AromaticContact CZ-CZ 3.84Å; F709-F951 HydrophobicContact CZ-CZ 3.84Å
710	V	95.2	Very high	92.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	105.6	173.4	-172.3	0	0	0	0	107.3	F631 Y657 I659 L697 F698 A699 F701	F631-V710 HydrophobicContact CE1-CG1 3.87Å; F631-V710 HydrophobicContact CE2-CG2 4.3Å; F631-V710 HydrophobicContact CZ-CG1 3.87Å; F631-V710 HydrophobicContact CZ-CG2 3.95Å; Y657-V710 HydrophobicContact CD1-CG1 4.06Å; Y657-V710 HydrophobicContact CG-CG1 3.83Å; I659-V710 HydrophobicContact CD1-CG2 4.39Å; I659-V710 HydrophobicContact CG1-CG1 4.3Å; I659-V710 HydrophobicContact CG1-CG2 4.23Å; L697-V710 WeakPolarHBondContact CD1-O 3.48Å; F698-V710 WeakPolarHBondContact CA-O 3.3Å; F698-V710 HydrophobicContact CB-CB 4.41Å; F698-V710 HydrophobicContact CB-CG1 4.13Å; F698-V710 WeakPolarHBondContact CB-O 3.28Å; F698-V710 HydrophobicContact CD1-CB 4.47Å; F698-V710 HydrophobicContact CD1-CG1 3.94Å; F698-V710 HydrophobicContact CG-CG1 4.46Å; F698-V710 PolarHBondContact N-O 3.15Å; A699-V710 HydrophobicContact CB-CB 4.29Å; A699-V710 HydrophobicContact CB-CG2 4.35Å; A699-V710 PolarHBondContact N-O 3.08Å; A699-V710 WeakPolarHBondContact O-CB 3.43Å; A699-V710 PolarHBondContact O-N 2.96Å; F701-V710 HydrophobicContact CD1-CG2 3.83Å; F701-V710 HydrophobicContact CE1-CG2 3.56Å
711	M	94.7	Very high	91.9	Very high	17 Å²	17	22.5 Å²	22.5	8%	0.084	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	161.6	-176.3	-53.5	172.1	-58	0	0	110.4	Y657 A658 K660 F683 V695 N696 L697 F709	Y657-M711 WeakPolarHBondContact CA-O 3.29Å; Y657-M711 WeakPolarHBondContact CB-O 3.42Å; Y657-M711 WeakPolarHBondContact CD1-O 3.38Å; A658-M711 HydrophobicContact CB-CE 4.16Å; A658-M711 PolarHBondContact N-O 3.09Å; A658-M711 WeakPolarHBondContact O-CB 3.4Å; A658-M711 PolarHBondContact O-N 3.33Å; K660-M711 HydrophobicContact CB-CE 3.69Å; K660-M711 HydrophobicContact CB-SD 4.35Å; F683-M711 HydrophobicContact CE1-CG 4.4Å; F683-M711 HydrophobicContact CE1-SD 4.36Å; F683-M711 HydrophobicContact CZ-CG 4.15Å; F683-M711 HydrophobicContact CZ-SD 3.73Å; V695-M711 HydrophobicContact CG1-CB 3.93Å; V695-M711 HydrophobicContact CG1-SD 4.49Å; N696-M711 WeakPolarHBondContact O-CA 3.46Å; L697-M711 HydrophobicContact CD1-CG 4.35Å; F709-M711 HydrophobicContact CB-CG 4.3Å
712	E	93	Very high	91.4	Very high	49 Å²	49	23.2 Å²	23.2	23%	0.229	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	141.9	170.4	62.9	174.3	134.7	0	0	112.2	V695 N696 K771	V695-E712 HydrophobicContact CG1-CG 3.91Å; N696-E712 HydrophobicContact CB-CG 4.46Å; N696-E712 PolarHBondContact N-OE1 3.08Å; N696-E712 PolarHBondContact ND2-OE1 2.73Å; N696-E712 PolarHBondContact O-N 2.93Å; E712-K771 IonicContact OE1-NZ 3.75Å; E712-K771 PolarHBondContact OE1-NZ 3.4Å; E712-K771 IonicContact OE2-NZ 3.08Å; E712-K771 PolarHBondContact OE2-NZ 3.18Å
713	Y	93.9	Very high	90.8	Very high	34 Å²	34	21.5 Å²	21.5	13%	0.133	11%	0.113	C	C	.	.			trans	-83.8	120.5	177.2	177.6	-131.2	0	0	0	111.3	L637 L647 Q656 A715 D916 F920	L637-Y713 HydrophobicContact CD1-CD2 3.84Å; L637-Y713 HydrophobicContact CD1-CE2 3.61Å; L637-Y713 HydrophobicContact CD2-CE2 4.07Å; L647-Y713 HydrophobicContact CD1-CD1 3.64Å; L647-Y713 HydrophobicContact CD1-CD2 3.73Å; L647-Y713 HydrophobicContact CD1-CE1 3.7Å; L647-Y713 HydrophobicContact CD1-CE2 3.81Å; L647-Y713 HydrophobicContact CD1-CG 3.66Å; L647-Y713 HydrophobicContact CD2-CE1 4.33Å; Q656-Y713 HydrophobicContact CB-CD1 3.86Å; Q656-Y713 HydrophobicContact CB-CG 4.36Å; Y713-A715 HydrophobicContact CD1-CB 4.07Å; Y713-A715 HydrophobicContact CE1-CB 3.49Å; Y713-A715 VanDerWaalsContact CE1-CB 3.49Å; Y713-A715 HydrophobicContact CE2-CB 4.47Å; Y713-D916 PolarHBondContact OH-O 2.66Å; Y713-F920 AromaticContact CE2-CE2 3.91Å; Y713-F920 HydrophobicContact CE2-CE2 3.91Å; Y713-F920 AromaticContact CE2-CZ 3.73Å; Y713-F920 HydrophobicContact CE2-CZ 3.73Å; Y713-F920 VanDerWaalsContact OH-CE2 3.31Å; Y713-F920 WeakPolarHBondContact OH-CE2 3.36Å
714	T	93.9	Very high	89.4	Confident	6 Å²	6	24.6 Å²	24.6	4%	0.037	13%	0.125	C	C	.	.			trans	-108.3	88.3	-177	-55.9	0	0	0	0	109.1	G716 L763 L764 D765 F920	T714-G716 VanDerWaalsContact C-N 3.34Å; T714-G716 PolarHBondContact O-N 3.21Å; T714-L763 HydrophobicContact CG2-CB 3.44Å; T714-L763 VanDerWaalsContact CG2-CB 3.44Å; T714-L763 HydrophobicContact CG2-CD1 4.38Å; T714-L764 WeakPolarHBondContact CG2-O 3.38Å; T714-D765 HydrophobicContact CG2-CB 4.2Å; T714-F920 WeakPolarHBondContact O-CZ 3.16Å
715	A	91.9	Very high	87.7	Confident	6 Å²	6	23.9 Å²	23.9	5%	0.05	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.8	-161.5	0	0	0	0	0	116.6	Y713 G717 V766 I911 N919	Y713-A715 HydrophobicContact CD1-CB 4.07Å; Y713-A715 HydrophobicContact CE1-CB 3.49Å; Y713-A715 VanDerWaalsContact CE1-CB 3.49Å; Y713-A715 HydrophobicContact CE2-CB 4.47Å; A715-G717 PolarHBondContact O-N 3.07Å; A715-V766 HydrophobicContact CB-CG1 4.27Å; A715-I911 HydrophobicContact CB-CD1 3.88Å; A715-N919 PolarHBondContact O-ND2 3.35Å
716	G	91.3	Very high	86.2	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-1.5	177	0	0	0	0	0	114.4	T714 H722 L764 N919	T714-G716 VanDerWaalsContact C-N 3.34Å; T714-G716 PolarHBondContact O-N 3.21Å; G716-H722 PolarHBondContact O-NE2 2.9Å; G716-L764 CarbonylContact C-O 3.53Å; G716-L764 WeakPolarHBondContact CA-O 3.38Å; G716-L764 PolarHBondContact N-O 3.04Å; G716-N919 WeakPolarHBondContact O-CB 3.24Å
717	G	91.3	Very high	85.5	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.			trans	75.6	-174.8	178.7	0	0	0	0	0	113.8	A715 L763 L764	A715-G717 PolarHBondContact O-N 3.07Å; G717-L763 CarbonylContact O-C 3.59Å; G717-L763 VanDerWaalsContact O-CA 3.3Å; G717-L763 WeakPolarHBondContact O-CA 3.32Å; G717-L764 PolarHBondContact O-N 2.81Å
718	D	91.4	Very high	85.2	Confident	13 Å²	13	27.7 Å²	27.7	7%	0.07	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-85.7	152	178.7	63.1	64.3	0	0	0	113	R489 M720 M721 H722 L762 L763	R489-D718 IonicContact CZ-OD1 2.69Å; R489-D718 IonicContact CZ-OD2 2.96Å; R489-D718 VanDerWaalsContact CZ-OD2 3.28Å; R489-D718 IonicContact NH1-OD1 3.74Å; R489-D718 PolarHBondContact NH1-OD1 3.05Å; R489-D718 IonicContact NH1-OD2 3.93Å; R489-D718 PolarHBondContact NH1-OD2 2.78Å; R489-D718 IonicContact NH2-OD1 3.77Å; R489-D718 IonicContact NH2-OD2 3.85Å; R489-D718 PolarHBondContact NH2-OD2 2.92Å; D718-M720 PolarHBondContact O-N 3.49Å; D718-M720 WeakPolarHBondContact OD1-CA 3.5Å; D718-M720 VanDerWaalsContact OD1-CB 3.28Å; D718-M720 WeakPolarHBondContact OD1-CB 3.48Å; D718-M720 PolarHBondContact OD1-N 3.41Å; D718-M721 PolarHBondContact O-N 3.16Å; D718-M721 PolarHBondContact OD1-N 2.79Å; D718-H722 PolarHBondContact O-CD2 3.29Å; D718-L762 CarbonylContact C-O 3.56Å; D718-L762 WeakPolarHBondContact CA-O 3.47Å; D718-L763 HydrophobicContact CB-CD2 3.75Å
719	L	91.6	Very high	84.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-24	178.4	-74.3	-174.8	0	0	0	112.8	M721 H722 I723 F728 Y736 L759 L762 L764 V770	L719-M721 VanDerWaalsContact C-N 3.34Å; L719-H722 PolarHBondContact O-N 3.34Å; L719-I723 PolarHBondContact O-N 2.94Å; L719-I723 VanDerWaalsContact O-N 3.09Å; L719-F728 HydrophobicContact CD2-CE2 4.16Å; L719-F728 HydrophobicContact CD2-CZ 4.22Å; L719-Y736 HydrophobicContact CD1-CD2 4.12Å; L719-Y736 HydrophobicContact CD1-CG 4.41Å; L719-Y736 HydrophobicContact CD2-CD2 3.94Å; L719-Y736 HydrophobicContact CD2-CE2 3.64Å; L719-L759 HydrophobicContact CB-CB 4.42Å; L719-L759 HydrophobicContact CB-CD2 3.84Å; L719-L759 HydrophobicContact CD1-CD2 4.31Å; L719-L759 PolarHBondContact N-O 2.87Å; L719-L762 HydrophobicContact CB-CB 4.37Å; L719-L762 HydrophobicContact CD1-CB 3.73Å; L719-L762 HydrophobicContact CD1-CD1 3.95Å; L719-L762 HydrophobicContact CG-CB 3.99Å; L719-L762 PolarHBondContact N-O 2.81Å; L719-L764 HydrophobicContact CD2-CD1 3.9Å; L719-L764 HydrophobicContact CD2-CD2 3.87Å; L719-L764 HydrophobicContact CD2-CG 3.74Å; L719-V770 HydrophobicContact CD1-CG2 3.98Å; L719-V770 HydrophobicContact CD2-CG2 4.32Å; L719-V770 HydrophobicContact CG-CG2 4.43Å
720	M	87.3	Confident	84.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.7	-41.4	176.1	-177	64.6	89.3	0	0	110.5	L487 R489 Q490 D718 H722 I723 H724 L759	L487-M720 HydrophobicContact CB-CE 4.29Å; L487-M720 HydrophobicContact CB-SD 3.97Å; R489-M720 HydrophobicContact CG-CG 4.31Å; Q490-M720 HydrophobicContact CG-CE 4.34Å; D718-M720 PolarHBondContact O-N 3.49Å; D718-M720 WeakPolarHBondContact OD1-CA 3.5Å; D718-M720 VanDerWaalsContact OD1-CB 3.28Å; D718-M720 WeakPolarHBondContact OD1-CB 3.48Å; D718-M720 PolarHBondContact OD1-N 3.41Å; M720-H722 VanDerWaalsContact C-N 3.34Å; M720-H722 PolarHBondContact O-N 2.93Å; M720-I723 WeakPolarHBondContact O-CG2 3.47Å; M720-I723 PolarHBondContact O-N 2.95Å; M720-I723 HydrophobicContact SD-CG2 4.19Å; M720-H724 PolarHBondContact O-N 3.34Å; M720-H724 PolarHBondContact O-ND1 3.11Å; M720-L759 HydrophobicContact CB-CB 3.87Å; M720-L759 HydrophobicContact CE-CB 4.12Å; M720-L759 HydrophobicContact CE-CD1 4.36Å; M720-L759 PolarHBondContact N-O 3.31Å; M720-L759 HydrophobicContact SD-CB 4.34Å; M720-L759 HydrophobicContact SD-CD1 4.2Å
721	M	82.6	Confident	84.5	Confident	67 Å²	67	38.7 Å²	38.7	33%	0.33	22%	0.221	S	C	.	.	H	α-helix	trans	-58.3	-46.6	172.7	-148.3	-59.5	-78.9	0	0	111	D718 L719 I723 H724	D718-M721 PolarHBondContact O-N 3.16Å; D718-M721 PolarHBondContact OD1-N 2.79Å; L719-M721 VanDerWaalsContact C-N 3.34Å; M721-I723 VanDerWaalsContact C-N 3.33Å; M721-I723 PolarHBondContact O-N 3.48Å; M721-H724 PolarHBondContact O-N 3.37Å
722	H	83.9	Confident	84.5	Confident	17 Å²	17	39.5 Å²	39.5	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-67.7	-26.8	-176	-68.7	-71.1	0	0	0	114.5	G716 D718 L719 M720 F728 F907	G716-H722 PolarHBondContact O-NE2 2.9Å; D718-H722 PolarHBondContact O-CD2 3.29Å; L719-H722 PolarHBondContact O-N 3.34Å; M720-H722 VanDerWaalsContact C-N 3.34Å; M720-H722 PolarHBondContact O-N 2.93Å; H722-F728 HydrophobicContact CB-CE1 4.07Å; H722-F728 HydrophobicContact CB-CZ 3.97Å; H722-F907 AromaticContact CE1-CE1 3.62Å; H722-F907 AromaticContact CE1-CZ 3.72Å; H722-F907 AromaticContact ND1-CE1 3.55Å; H722-F907 AromaticContact ND1-CZ 3.53Å
723	I	79.5	Confident	84.6	Confident	13 Å²	13	37.2 Å²	37.2	7%	0.067	21%	0.213	C	C	.	.	H	α-helix	trans	-83.2	-18.3	177.1	-149.7	173	0	0	0	113.5	L487 L719 M720 M721 A725 D726 F728 L759 E823	L487-I723 HydrophobicContact CD1-CD1 4.24Å; L487-I723 HydrophobicContact CD1-CG2 4.4Å; L719-I723 PolarHBondContact O-N 2.94Å; L719-I723 VanDerWaalsContact O-N 3.09Å; M720-I723 WeakPolarHBondContact O-CG2 3.47Å; M720-I723 PolarHBondContact O-N 2.95Å; M720-I723 HydrophobicContact SD-CG2 4.19Å; M721-I723 VanDerWaalsContact C-N 3.33Å; M721-I723 PolarHBondContact O-N 3.48Å; I723-A725 PolarHBondContact O-N 3.19Å; I723-D726 CarbonylContact O-C 3.49Å; I723-D726 PolarHBondContact O-N 2.82Å; I723-D726 VanDerWaalsContact O-O 3.11Å; I723-F728 HydrophobicContact CB-CE1 3.93Å; I723-F728 HydrophobicContact CB-CZ 3.96Å; I723-F728 HydrophobicContact CG1-CD1 4.23Å; I723-F728 HydrophobicContact CG1-CE1 4.06Å; I723-F728 HydrophobicContact CG1-CZ 4.33Å; I723-L759 HydrophobicContact CD1-CD1 4.12Å; I723-L759 HydrophobicContact CG2-CD1 3.93Å; I723-E823 WeakPolarHBondContact CD1-O 3.4Å
724	H	62.8	Low	84.8	Confident	92 Å²	92	36.6 Å²	36.6	43%	0.426	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-23	178.7	-84.9	62.1	0	0	0	112.8	L487 M720 M721	L487-H724 PolarHBondContact O-CE1 3.29Å; L487-H724 PolarHBondContact O-NE2 3.32Å; M720-H724 PolarHBondContact O-N 3.34Å; M720-H724 PolarHBondContact O-ND1 3.11Å; M721-H724 PolarHBondContact O-N 3.37Å
725	A	52.3	Low	85	Confident	87 Å²	87	36.7 Å²	36.7	72%	0.719	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-50.5	176.7	0	0	0	0	0	112.7	I723	I723-A725 PolarHBondContact O-N 3.19Å
726	D	58.1	Low	85.3	Confident	117 Å²	117	36.5 Å²	36.5	63%	0.626	21%	0.211	S	C	*	.	S	Bend	trans	-164.5	165.3	175.9	-158.3	1.5	0	0	0	110	I723	I723-D726 CarbonylContact O-C 3.49Å; I723-D726 PolarHBondContact O-N 2.82Å; I723-D726 VanDerWaalsContact O-O 3.11Å
727	V	78	Confident	85.6	Confident	60 Å²	60	36.5 Å²	36.5	36%	0.364	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-63	154.2	173.7	-60.6	0	0	0	0	111.6
728	F	86.8	Confident	86	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.018	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-79.7	134.7	176.1	-61.6	-16.4	0	0	0	110.6	L719 H722 I723 R732 Y736 M824	L719-F728 HydrophobicContact CD2-CE2 4.16Å; L719-F728 HydrophobicContact CD2-CZ 4.22Å; H722-F728 HydrophobicContact CB-CE1 4.07Å; H722-F728 HydrophobicContact CB-CZ 3.97Å; I723-F728 HydrophobicContact CB-CE1 3.93Å; I723-F728 HydrophobicContact CB-CZ 3.96Å; I723-F728 HydrophobicContact CG1-CD1 4.23Å; I723-F728 HydrophobicContact CG1-CE1 4.06Å; I723-F728 HydrophobicContact CG1-CZ 4.33Å; F728-R732 HydrophobicContact CB-CB 4.28Å; F728-R732 HydrophobicContact CB-CG 4.19Å; F728-R732 HydrophobicContact CG-CG 4.24Å; F728-Y736 AromaticContact CD2-CD2 3.85Å; F728-Y736 HydrophobicContact CD2-CD2 3.85Å; F728-Y736 AromaticContact CD2-CE2 3.99Å; F728-Y736 HydrophobicContact CD2-CE2 3.99Å; F728-Y736 AromaticContact CE2-CD2 3.79Å; F728-Y736 HydrophobicContact CE2-CD2 3.79Å; F728-Y736 AromaticContact CE2-CE2 3.77Å; F728-Y736 HydrophobicContact CE2-CE2 3.77Å; F728-Y736 HydrophobicContact CZ-CE2 4.24Å; F728-M824 HydrophobicContact CB-CB 4.43Å; F728-M824 WeakPolarHBondContact CB-O 3.47Å; F728-M824 HydrophobicContact CD2-CB 3.89Å; F728-M824 HydrophobicContact CD2-CG 3.63Å; F728-M824 HydrophobicContact CD2-SD 3.8Å; F728-M824 HydrophobicContact CE2-CG 3.97Å; F728-M824 HydrophobicContact CE2-SD 4.08Å; F728-M824 PolarHBondContact N-O 2.93Å
729	S	86.3	Confident	86.3	Confident	74 Å²	74	35.9 Å²	35.9	52%	0.517	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-60.9	151.1	169.3	62.7	0	0	0	0	110.6	R732 A733	S729-R732 WeakPolarHBondContact O-CA 3.45Å; S729-R732 WeakPolarHBondContact O-CB 3.49Å; S729-R732 PolarHBondContact O-N 3.37Å; S729-A733 PolarHBondContact O-N 2.89Å
730	E	88.9	Confident	86.7	Confident	61 Å²	61	36 Å²	36	29%	0.285	21%	0.208	S	C	.	.	H	α-helix	trans	-53.6	-43.5	-177.5	-170.4	169.5	145.6	0	0	113.7	R732 A733 V734 L825 S855 F889	E730-R732 VanDerWaalsContact C-N 3.29Å; E730-R732 PolarHBondContact O-N 3.5Å; E730-A733 PolarHBondContact O-N 2.82Å; E730-V734 HydrophobicContact CG-CG2 4.25Å; E730-V734 WeakPolarHBondContact O-CB 3.35Å; E730-V734 VanDerWaalsContact O-CG2 3.23Å; E730-V734 WeakPolarHBondContact O-CG2 3.3Å; E730-V734 PolarHBondContact O-N 3.01Å; E730-L825 HydrophobicContact CB-CD2 4.06Å; E730-L825 HydrophobicContact CG-CD2 4.24Å; E730-S855 WeakPolarHBondContact OE1-CB 3.36Å; E730-S855 PolarHBondContact OE1-OG 3.07Å; E730-S855 VanDerWaalsContact OE2-CB 3.22Å; E730-S855 WeakPolarHBondContact OE2-CB 3.36Å; E730-S855 PolarHBondContact OE2-OG 3.31Å; E730-F889 HydrophobicContact CG-CE2 4.06Å
731	P	94.1	Very high	87.2	Confident	95 Å²	95	36 Å²	36	62%	0.617	21%	0.208	S	C	*	.	H	α-helix	trans	-60	-35	174	-24.6	35.7	0	0	0	114	F735	P731-F735 WeakPolarHBondContact O-CB 3.01Å; P731-F735 PolarHBondContact O-N 2.92Å; P731-F735 VanDerWaalsContact O-N 3.12Å
732	R	94.7	Very high	88	Confident	35 Å²	35	33.1 Å²	33.1	13%	0.132	19%	0.194	C	C	.	.	H	α-helix	trans	-70.4	-44.6	176.9	-176.4	175.3	-171.1	-163.5	-1.3	111.1	F728 S729 E730 F735 Y736 P906	F728-R732 HydrophobicContact CB-CB 4.28Å; F728-R732 HydrophobicContact CB-CG 4.19Å; F728-R732 HydrophobicContact CG-CG 4.24Å; S729-R732 WeakPolarHBondContact O-CA 3.45Å; S729-R732 WeakPolarHBondContact O-CB 3.49Å; S729-R732 PolarHBondContact O-N 3.37Å; E730-R732 VanDerWaalsContact C-N 3.29Å; E730-R732 PolarHBondContact O-N 3.5Å; R732-F735 PolarHBondContact O-N 2.82Å; R732-Y736 HydrophobicContact CG-CD2 3.96Å; R732-Y736 HydrophobicContact CG-CE2 3.47Å; R732-Y736 VanDerWaalsContact CG-CE2 3.47Å; R732-Y736 VanDerWaalsContact NE-CE2 3.25Å; R732-Y736 PolarHBondContact NE-OH 3.24Å; R732-Y736 PolarHBondContact NH2-OH 3.47Å; R732-Y736 PolarHBondContact O-N 2.89Å; R732-P906 HydrophobicContact CB-CB 4.38Å; R732-P906 HydrophobicContact CB-CG 4.19Å; R732-P906 HydrophobicContact CG-CG 4Å
733	A	96.1	Very high	88.6	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-41.7	175.8	0	0	0	0	0	112.2	S729 E730 S737 M824 L825	S729-A733 PolarHBondContact O-N 2.89Å; E730-A733 PolarHBondContact O-N 2.82Å; A733-S737 WeakPolarHBondContact O-CB 3.23Å; A733-S737 PolarHBondContact O-N 2.91Å; A733-S737 PolarHBondContact O-OG 2.78Å; A733-M824 HydrophobicContact CB-CB 4.03Å; A733-M824 HydrophobicContact CB-CE 4.35Å; A733-L825 HydrophobicContact CB-CD2 3.55Å; A733-L825 HydrophobicContact CB-CG 4Å
734	V	98.1	Very high	89.5	Confident	22 Å²	22	31.7 Å²	31.7	13%	0.133	19%	0.187	C	C	.	.	H	α-helix	trans	-58.9	-48.8	174.8	169	0	0	0	0	110.8	E730 S737 A738 F889 F890 M893	E730-V734 HydrophobicContact CG-CG2 4.25Å; E730-V734 WeakPolarHBondContact O-CB 3.35Å; E730-V734 VanDerWaalsContact O-CG2 3.23Å; E730-V734 WeakPolarHBondContact O-CG2 3.3Å; E730-V734 PolarHBondContact O-N 3.01Å; V734-S737 PolarHBondContact O-N 3.03Å; V734-A738 WeakPolarHBondContact O-CB 3.45Å; V734-A738 PolarHBondContact O-N 2.76Å; V734-F889 HydrophobicContact CB-CE1 4.36Å; V734-F889 HydrophobicContact CB-CZ 4.37Å; V734-F889 HydrophobicContact CG2-CD1 4.06Å; V734-F889 HydrophobicContact CG2-CD2 3.94Å; V734-F889 HydrophobicContact CG2-CE1 3.68Å; V734-F889 HydrophobicContact CG2-CE2 3.55Å; V734-F889 HydrophobicContact CG2-CG 4.2Å; V734-F889 HydrophobicContact CG2-CZ 3.42Å; V734-F889 VanDerWaalsContact CG2-CZ 3.42Å; V734-F889 WeakPolarHBondContact CG2-O 3.39Å; V734-F890 HydrophobicContact CG1-CD1 4Å; V734-F890 HydrophobicContact CG1-CE1 4.49Å; V734-M893 HydrophobicContact CG1-CE 4.14Å
735	F	98.3	Very high	91.2	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.035	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-50.1	179.7	179.6	-92	0	0	0	112.3	P731 R732 S737 A738 C739 F769 L898 V903 P905 P906	P731-F735 WeakPolarHBondContact O-CB 3.01Å; P731-F735 PolarHBondContact O-N 2.92Å; P731-F735 VanDerWaalsContact O-N 3.12Å; R732-F735 PolarHBondContact O-N 2.82Å; F735-S737 PolarHBondContact O-N 2.76Å; F735-A738 PolarHBondContact O-N 3.17Å; F735-C739 PolarHBondContact O-N 2.69Å; F735-C739 VanDerWaalsContact O-N 3.16Å; F735-C739 PolarHBondContact O-SG 2.84Å; F735-F769 HydrophobicContact CE1-CD1 4.25Å; F735-F769 HydrophobicContact CE2-CE1 4.36Å; F735-F769 AromaticContact CZ-CD1 3.64Å; F735-F769 HydrophobicContact CZ-CD1 3.64Å; F735-F769 AromaticContact CZ-CE1 3.67Å; F735-F769 HydrophobicContact CZ-CE1 3.67Å; F735-L898 HydrophobicContact CD2-CD1 4.22Å; F735-L898 HydrophobicContact CE2-CD1 3.6Å; F735-L898 HydrophobicContact CZ-CD1 4.05Å; F735-V903 HydrophobicContact CD2-CG1 4.04Å; F735-V903 HydrophobicContact CE2-CB 4.17Å; F735-V903 HydrophobicContact CE2-CG1 3.76Å; F735-P905 HydrophobicContact CE1-CB 3.96Å; F735-P905 HydrophobicContact CE1-CG 4.26Å; F735-P905 HydrophobicContact CZ-CB 3.95Å; F735-P905 HydrophobicContact CZ-CG 3.87Å; F735-P906 HydrophobicContact CB-CG 4.04Å; F735-P906 HydrophobicContact CD1-CG 3.86Å; F735-P906 HydrophobicContact CG-CG 4.04Å
736	Y	98.3	Very high	93.4	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-63.5	-40.4	178	-65.8	-23.1	0	0	0	112.5	L719 F728 R732 A738 C739 V740 L764 V770 M824 P906	L719-Y736 HydrophobicContact CD1-CD2 4.12Å; L719-Y736 HydrophobicContact CD1-CG 4.41Å; L719-Y736 HydrophobicContact CD2-CD2 3.94Å; L719-Y736 HydrophobicContact CD2-CE2 3.64Å; F728-Y736 AromaticContact CD2-CD2 3.85Å; F728-Y736 HydrophobicContact CD2-CD2 3.85Å; F728-Y736 AromaticContact CD2-CE2 3.99Å; F728-Y736 HydrophobicContact CD2-CE2 3.99Å; F728-Y736 AromaticContact CE2-CD2 3.79Å; F728-Y736 HydrophobicContact CE2-CD2 3.79Å; F728-Y736 AromaticContact CE2-CE2 3.77Å; F728-Y736 HydrophobicContact CE2-CE2 3.77Å; F728-Y736 HydrophobicContact CZ-CE2 4.24Å; R732-Y736 HydrophobicContact CG-CD2 3.96Å; R732-Y736 HydrophobicContact CG-CE2 3.47Å; R732-Y736 VanDerWaalsContact CG-CE2 3.47Å; R732-Y736 VanDerWaalsContact NE-CE2 3.25Å; R732-Y736 PolarHBondContact NE-OH 3.24Å; R732-Y736 PolarHBondContact NH2-OH 3.47Å; R732-Y736 PolarHBondContact O-N 2.89Å; Y736-A738 VanDerWaalsContact C-N 3.29Å; Y736-A738 PolarHBondContact O-N 3.07Å; Y736-C739 PolarHBondContact O-N 3.43Å; Y736-V740 WeakPolarHBondContact O-CG2 3.31Å; Y736-V740 PolarHBondContact O-N 2.88Å; Y736-V740 VanDerWaalsContact O-N 3.1Å; Y736-L764 HydrophobicContact CE1-CD2 3.8Å; Y736-V770 HydrophobicContact CD1-CG2 3.31Å; Y736-V770 HydrophobicContact CE1-CG2 3.88Å; Y736-V770 HydrophobicContact CG-CG2 3.7Å; Y736-M824 HydrophobicContact CD2-SD 4.23Å; Y736-P906 HydrophobicContact CE1-CG 4.46Å
737	S	98.3	Very high	95.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.8	-36.7	174.6	-57	0	0	0	0	112	A733 V734 F735 V740 V741 V821 M824	A733-S737 WeakPolarHBondContact O-CB 3.23Å; A733-S737 PolarHBondContact O-N 2.91Å; A733-S737 PolarHBondContact O-OG 2.78Å; V734-S737 PolarHBondContact O-N 3.03Å; F735-S737 PolarHBondContact O-N 2.76Å; S737-V740 PolarHBondContact O-N 3.04Å; S737-V741 WeakPolarHBondContact O-CB 3.13Å; S737-V741 VanDerWaalsContact O-CG2 3.24Å; S737-V741 WeakPolarHBondContact O-CG2 3.4Å; S737-V741 PolarHBondContact O-N 2.8Å; S737-V821 WeakPolarHBondContact OG-CG2 3.16Å; S737-M824 WeakPolarHBondContact OG-CE 3.23Å
738	A	98.6	Very high	96.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68.1	-40.4	178.4	0	0	0	0	0	112.3	V734 F735 Y736 V740 V741 L742 F890 M893 W895 L898	V734-A738 WeakPolarHBondContact O-CB 3.45Å; V734-A738 PolarHBondContact O-N 2.76Å; F735-A738 PolarHBondContact O-N 3.17Å; Y736-A738 VanDerWaalsContact C-N 3.29Å; Y736-A738 PolarHBondContact O-N 3.07Å; A738-V740 VanDerWaalsContact C-N 3.32Å; A738-V740 PolarHBondContact O-N 2.79Å; A738-V741 PolarHBondContact O-N 3.14Å; A738-L742 PolarHBondContact O-N 2.78Å; A738-L742 VanDerWaalsContact O-N 3.09Å; A738-F890 HydrophobicContact CB-CD1 4.18Å; A738-F890 HydrophobicContact CB-CE1 4.01Å; A738-M893 HydrophobicContact CB-CE 3.85Å; A738-M893 HydrophobicContact CB-CG 4.08Å; A738-M893 HydrophobicContact CB-SD 4.21Å; A738-W895 HydrophobicContact CB-CE3 4.45Å; A738-W895 HydrophobicContact CB-CH2 3.81Å; A738-W895 HydrophobicContact CB-CZ3 3.64Å; A738-L898 HydrophobicContact CB-CD2 3.42Å; A738-L898 VanDerWaalsContact CB-CD2 3.42Å
739	C	98.5	Very high	96.7	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.007	12%	0.123	C	C	.	.	H	α-helix	trans	-59.1	-44	171.3	-62.1	0	0	0	0	111.5	F693 F735 Y736 L742 G743 V770	F693-C739 HydrophobicContact CB-CB 4.46Å; F693-C739 HydrophobicContact CD1-CB 3.91Å; F693-C739 HydrophobicContact CD2-CB 4.29Å; F693-C739 HydrophobicContact CE1-CB 4.22Å; F693-C739 HydrophobicContact CG-CB 3.95Å; F735-C739 PolarHBondContact O-N 2.69Å; F735-C739 VanDerWaalsContact O-N 3.16Å; F735-C739 PolarHBondContact O-SG 2.84Å; Y736-C739 PolarHBondContact O-N 3.43Å; C739-L742 PolarHBondContact O-N 3.43Å; C739-G743 PolarHBondContact O-N 3.44Å; C739-V770 HydrophobicContact CB-CB 4.03Å
740	V	98.6	Very high	97.2	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-65.1	-42.5	177.2	172.5	0	0	0	0	111.8	Y736 S737 A738 L742 G743 L744 L757 L762 V770 I772 L817 L820	Y736-V740 WeakPolarHBondContact O-CG2 3.31Å; Y736-V740 PolarHBondContact O-N 2.88Å; Y736-V740 VanDerWaalsContact O-N 3.1Å; S737-V740 PolarHBondContact O-N 3.04Å; A738-V740 VanDerWaalsContact C-N 3.32Å; A738-V740 PolarHBondContact O-N 2.79Å; V740-L742 VanDerWaalsContact C-N 3.32Å; V740-L742 PolarHBondContact O-N 3.27Å; V740-G743 PolarHBondContact O-N 3.05Å; V740-L744 HydrophobicContact CG1-CD1 3.98Å; V740-L744 HydrophobicContact CG1-CG 4.25Å; V740-L744 WeakPolarHBondContact O-CG 3.35Å; V740-L744 PolarHBondContact O-N 3.13Å; V740-L757 HydrophobicContact CG1-CD1 3.73Å; V740-L757 HydrophobicContact CG1-CD2 3.96Å; V740-L757 HydrophobicContact CG1-CG 4.48Å; V740-L762 HydrophobicContact CG2-CD1 3.77Å; V740-L762 HydrophobicContact CG2-CD2 3.8Å; V740-L762 HydrophobicContact CG2-CG 4.46Å; V740-V770 HydrophobicContact CG2-CG1 4.1Å; V740-I772 HydrophobicContact CG1-CD1 4.42Å; V740-L817 HydrophobicContact CG1-CD1 3.99Å; V740-L820 HydrophobicContact CG1-CD2 4.31Å; V740-L820 HydrophobicContact CG2-CD2 4.23Å
741	V	98.8	Very high	97.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.6	-42.4	176.1	165.6	0	0	0	0	111.4	S737 A738 Q745 W814 L817 A881 V884 K885 F890 W895	S737-V741 WeakPolarHBondContact O-CB 3.13Å; S737-V741 VanDerWaalsContact O-CG2 3.24Å; S737-V741 WeakPolarHBondContact O-CG2 3.4Å; S737-V741 PolarHBondContact O-N 2.8Å; A738-V741 PolarHBondContact O-N 3.14Å; V741-Q745 VanDerWaalsContact O-CB 3.3Å; V741-Q745 WeakPolarHBondContact O-CB 3.48Å; V741-Q745 PolarHBondContact O-N 2.93Å; V741-W814 HydrophobicContact CG2-CZ3 4.26Å; V741-L817 HydrophobicContact CG2-CD2 3.57Å; V741-A881 HydrophobicContact CG1-CB 4.42Å; V741-V884 HydrophobicContact CG1-CG1 4.43Å; V741-V884 HydrophobicContact CG2-CG1 3.86Å; V741-K885 HydrophobicContact CG1-CD 4.28Å; V741-K885 HydrophobicContact CG1-CG 3.73Å; V741-F890 HydrophobicContact CG2-CE2 4.39Å; V741-F890 HydrophobicContact CG2-CZ 4.02Å; V741-W895 HydrophobicContact CB-CH2 4.19Å; V741-W895 HydrophobicContact CB-CZ3 4.01Å; V741-W895 HydrophobicContact CG1-CH2 3.93Å; V741-W895 HydrophobicContact CG1-CZ3 3.8Å
742	L	98.6	Very high	97.8	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.042	10%	0.101	C	C	.	.	H	α-helix	trans	-67.9	-40	175.8	-71	172.2	0	0	0	112.2	H691 F693 A738 C739 V740 Q745 F746 W895 L898 L899	H691-L742 PolarHBondContact NE2-O 2.99Å; F693-L742 HydrophobicContact CD2-CB 3.89Å; F693-L742 HydrophobicContact CD2-CD1 4.16Å; F693-L742 HydrophobicContact CE2-CB 4.26Å; F693-L742 HydrophobicContact CE2-CD1 3.65Å; A738-L742 PolarHBondContact O-N 2.78Å; A738-L742 VanDerWaalsContact O-N 3.09Å; C739-L742 PolarHBondContact O-N 3.43Å; V740-L742 VanDerWaalsContact C-N 3.32Å; V740-L742 PolarHBondContact O-N 3.27Å; L742-Q745 PolarHBondContact O-N 3.25Å; L742-F746 PolarHBondContact O-N 2.96Å; L742-W895 HydrophobicContact CD1-CE3 4.11Å; L742-W895 HydrophobicContact CD2-CE3 3.99Å; L742-W895 HydrophobicContact CG-CE3 3.87Å; L742-W895 HydrophobicContact CG-CZ3 4.19Å; L742-L898 HydrophobicContact CD1-CB 4.33Å; L742-L898 HydrophobicContact CD1-CD2 3.85Å; L742-L898 HydrophobicContact CD1-CG 4.04Å; L742-L899 HydrophobicContact CD1-CB 4.19Å; L742-L899 HydrophobicContact CD1-CD1 4.47Å
743	G	98	Very high	97.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.3	-43.8	173.4	0	0	0	0	0	113.3	C739 V740 L747	C739-G743 PolarHBondContact O-N 3.44Å; V740-G743 PolarHBondContact O-N 3.05Å; G743-L747 WeakPolarHBondContact O-CG 3.42Å; G743-L747 PolarHBondContact O-N 3.41Å
744	L	98.4	Very high	97.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-68.5	-40.6	175.6	-68.8	177.1	0	0	0	112.1	V740 F746 L747 H748 Y754 L757 D813 W814	V740-L744 HydrophobicContact CG1-CD1 3.98Å; V740-L744 HydrophobicContact CG1-CG 4.25Å; V740-L744 WeakPolarHBondContact O-CG 3.35Å; V740-L744 PolarHBondContact O-N 3.13Å; L744-F746 VanDerWaalsContact C-N 3.34Å; L744-F746 PolarHBondContact O-N 2.89Å; L744-L747 PolarHBondContact O-N 3Å; L744-H748 WeakPolarHBondContact O-CB 3.45Å; L744-H748 PolarHBondContact O-N 2.99Å; L744-Y754 HydrophobicContact CD2-CG 4.48Å; L744-L757 HydrophobicContact CD1-CD2 4.3Å; L744-D813 HydrophobicContact CD1-CB 4.37Å; L744-D813 HydrophobicContact CD2-CB 4.13Å; L744-W814 HydrophobicContact CB-CH2 4.11Å; L744-W814 HydrophobicContact CB-CZ3 4.46Å; L744-W814 HydrophobicContact CD1-CE3 4.41Å; L744-W814 HydrophobicContact CD1-CZ3 4.07Å
745	Q	98.2	Very high	97.8	Very high	31 Å²	31	19.5 Å²	19.5	15%	0.145	9%	0.091	C	C	.	.	H	α-helix	trans	-53.5	-51.9	173.8	-179.9	163.2	17.3	0	0	110.6	V741 L742 L747 H748 D749 A881 E882	V741-Q745 VanDerWaalsContact O-CB 3.3Å; V741-Q745 WeakPolarHBondContact O-CB 3.48Å; V741-Q745 PolarHBondContact O-N 2.93Å; L742-Q745 PolarHBondContact O-N 3.25Å; Q745-L747 VanDerWaalsContact C-N 3.35Å; Q745-L747 PolarHBondContact O-N 3.48Å; Q745-H748 PolarHBondContact O-N 2.9Å; Q745-D749 WeakPolarHBondContact O-CB 3.34Å; Q745-D749 VanDerWaalsContact O-CG 3.25Å; Q745-D749 PolarHBondContact O-N 2.91Å; Q745-A881 HydrophobicContact CB-CB 3.56Å; Q745-A881 HydrophobicContact CG-CB 3.78Å; Q745-E882 PolarHBondContact NE2-OE1 2.96Å
746	F	98.1	Very high	97.5	Very high	23 Å²	23	19.2 Å²	19.2	10%	0.101	9%	0.09	C	C	.	.	H	α-helix	trans	-56	-46.8	177.6	175.8	-88.5	0	0	0	112.6	V686 S689 H691 L694 L742 L744 H750	V686-F746 HydrophobicContact CG2-CE1 4.06Å; S689-F746 WeakPolarHBondContact OG-CE2 3.38Å; S689-F746 WeakPolarHBondContact OG-CZ 3.35Å; H691-F746 HydrophobicContact CB-CD2 4.32Å; H691-F746 HydrophobicContact CB-CG 4.29Å; H691-F746 AromaticContact CD2-CD2 3.97Å; H691-F746 AromaticContact CD2-CG 3.98Å; L694-F746 HydrophobicContact CD1-CD1 3.43Å; L694-F746 VanDerWaalsContact CD1-CD1 3.43Å; L694-F746 HydrophobicContact CD1-CE1 3.98Å; L694-F746 HydrophobicContact CD1-CG 4.21Å; L742-F746 PolarHBondContact O-N 2.96Å; L744-F746 VanDerWaalsContact C-N 3.34Å; L744-F746 PolarHBondContact O-N 2.89Å; F746-H750 AromaticContact CD2-CE1 3.74Å; F746-H750 AromaticContact CD2-ND1 3.87Å; F746-H750 AromaticContact CE1-ND1 3.82Å; F746-H750 AromaticContact CE2-CE1 3.14Å; F746-H750 WeakPolarHBondContact CE2-CE1 3.29Å; F746-H750 AromaticContact CE2-ND1 3.53Å; F746-H750 AromaticContact CE2-NE2 3.98Å; F746-H750 AromaticContact CZ-CE1 3.39Å; F746-H750 WeakPolarHBondContact CZ-CE1 3.39Å; F746-H750 AromaticContact CZ-ND1 3.51Å; F746-H750 AromaticContact CZ-NE2 3.96Å; F746-H750 PolarHBondContact O-N 3.11Å; F746-H750 PolarHBondContact O-ND1 3.47Å
747	L	97.8	Very high	97.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.5	-45.1	179.7	-67.6	173.5	0	0	0	111.4	V686 L694 G743 L744 Q745 D749 H750 K751 I752 Y754 F775	V686-L747 HydrophobicContact CG2-CD2 4.22Å; L694-L747 HydrophobicContact CD1-CD2 4.13Å; L694-L747 HydrophobicContact CD1-CG 4.26Å; L694-L747 HydrophobicContact CD2-CD1 4.41Å; G743-L747 WeakPolarHBondContact O-CG 3.42Å; G743-L747 PolarHBondContact O-N 3.41Å; L744-L747 PolarHBondContact O-N 3Å; Q745-L747 VanDerWaalsContact C-N 3.35Å; Q745-L747 PolarHBondContact O-N 3.48Å; L747-D749 PolarHBondContact O-N 3.27Å; L747-H750 CarbonylContact O-C 3.47Å; L747-H750 WeakPolarHBondContact O-CA 3.31Å; L747-H750 PolarHBondContact O-N 3.41Å; L747-H750 VanDerWaalsContact O-N 3.16Å; L747-K751 PolarHBondContact O-N 3Å; L747-I752 CarbonylContact C-O 3.5Å; L747-I752 VanDerWaalsContact C-O 3.25Å; L747-I752 HydrophobicContact CB-CB 4.27Å; L747-I752 HydrophobicContact CB-CG2 4.49Å; L747-I752 HydrophobicContact CD2-CB 4.36Å; L747-I752 HydrophobicContact CD2-CD1 4.42Å; L747-I752 HydrophobicContact CD2-CG2 4.13Å; L747-I752 WeakPolarHBondContact O-CB 3.34Å; L747-I752 PolarHBondContact O-N 3.13Å; L747-Y754 HydrophobicContact CD1-CD2 4.03Å; L747-Y754 HydrophobicContact CD1-CG 4.36Å; L747-F775 HydrophobicContact CD1-CE1 4.31Å; L747-F775 HydrophobicContact CD2-CE1 4.42Å
748	H	98.1	Very high	96.9	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.009	9%	0.092	C	C	.	.	H	α-helix	trans	-65.1	-37.4	179.4	-73.1	-174.1	0	0	0	113	L744 Q745 H750 K751 I752 D813 W814 D880	L744-H748 WeakPolarHBondContact O-CB 3.45Å; L744-H748 PolarHBondContact O-N 2.99Å; Q745-H748 PolarHBondContact O-N 2.9Å; H748-H750 VanDerWaalsContact C-N 3.25Å; H748-H750 PolarHBondContact O-N 2.91Å; H748-K751 WeakPolarHBondContact O-CA 3.26Å; H748-K751 PolarHBondContact O-N 3.36Å; H748-I752 PolarHBondContact CD2-O 3.24Å; H748-D813 IonicContact NE2-OD2 2.88Å; H748-D813 PolarHBondContact NE2-OD2 3.09Å; H748-W814 AromaticContact CE1-CE2 3.69Å; H748-W814 AromaticContact CE1-CZ2 3.87Å; H748-W814 AromaticContact CE1-NE1 3.49Å; H748-W814 PolarHBondContact CE1-NE1 3.04Å; H748-W814 AromaticContact ND1-CE2 3.87Å; H748-W814 AromaticContact ND1-CZ2 3.72Å; H748-W814 AromaticContact ND1-NE1 3.68Å; H748-D880 WeakPolarHBondContact CB-OD2 3.49Å; H748-D880 IonicContact CE1-OD1 2.63Å; H748-D880 IonicContact CE1-OD2 2.66Å; H748-D880 IonicContact CG-OD2 3.75Å; H748-D880 VanDerWaalsContact ND1-CG 3.29Å; H748-D880 IonicContact ND1-OD1 3.04Å; H748-D880 PolarHBondContact ND1-OD1 2.93Å; H748-D880 VanDerWaalsContact ND1-OD1 3.11Å; H748-D880 IonicContact ND1-OD2 3.8Å; H748-D880 PolarHBondContact ND1-OD2 3.44Å
749	D	97	Very high	96.6	Very high	104 Å²	104	19.6 Å²	19.6	56%	0.556	9%	0.092	S	C	*	.	H	α-helix	trans	-63.3	-33.9	174.1	-71.8	-23.4	0	0	0	111.3	Q745 L747 K751	Q745-D749 WeakPolarHBondContact O-CB 3.34Å; Q745-D749 VanDerWaalsContact O-CG 3.25Å; Q745-D749 PolarHBondContact O-N 2.91Å; L747-D749 PolarHBondContact O-N 3.27Å; D749-K751 VanDerWaalsContact C-N 3.26Å; D749-K751 PolarHBondContact O-N 3.33Å
750	H	96.9	Very high	96.1	Very high	84 Å²	84	20.8 Å²	20.8	39%	0.389	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	9.6	172.1	-67.2	80.1	0	0	0	113.8	T685 F746 L747 H748 I752	T685-H750 HydrophobicContact CG2-CB 4.19Å; F746-H750 AromaticContact CD2-CE1 3.74Å; F746-H750 AromaticContact CD2-ND1 3.87Å; F746-H750 AromaticContact CE1-ND1 3.82Å; F746-H750 AromaticContact CE2-CE1 3.14Å; F746-H750 WeakPolarHBondContact CE2-CE1 3.29Å; F746-H750 AromaticContact CE2-ND1 3.53Å; F746-H750 AromaticContact CE2-NE2 3.98Å; F746-H750 AromaticContact CZ-CE1 3.39Å; F746-H750 WeakPolarHBondContact CZ-CE1 3.39Å; F746-H750 AromaticContact CZ-ND1 3.51Å; F746-H750 AromaticContact CZ-NE2 3.96Å; F746-H750 PolarHBondContact O-N 3.11Å; F746-H750 PolarHBondContact O-ND1 3.47Å; L747-H750 CarbonylContact O-C 3.47Å; L747-H750 WeakPolarHBondContact O-CA 3.31Å; L747-H750 PolarHBondContact O-N 3.41Å; L747-H750 VanDerWaalsContact O-N 3.16Å; H748-H750 VanDerWaalsContact C-N 3.25Å; H748-H750 PolarHBondContact O-N 2.91Å; H750-I752 VanDerWaalsContact C-N 3.3Å; H750-I752 HydrophobicContact CB-CD1 3.98Å; H750-I752 HydrophobicContact CB-CG1 4.47Å; H750-I752 PolarHBondContact O-N 2.95Å
751	K	97.2	Very high	95.9	Very high	121 Å²	121	21.3 Å²	21.3	53%	0.526	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	38.7	-178.8	-49.8	-179	-174.8	-177.9	0	112.9	L747 H748 D749 E780 G781 M782	L747-K751 PolarHBondContact O-N 3Å; H748-K751 WeakPolarHBondContact O-CA 3.26Å; H748-K751 PolarHBondContact O-N 3.36Å; D749-K751 VanDerWaalsContact C-N 3.26Å; D749-K751 PolarHBondContact O-N 3.33Å; K751-E780 CarbonylContact O-C 3.58Å; K751-G781 PolarHBondContact O-N 3.39Å; K751-M782 PolarHBondContact O-N 2.83Å
752	I	97.2	Very high	95.7	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.026	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.9	175.7	-62.3	159.3	0	0	0	108.1	I682 T685 L747 H748 H750 C778 K779	I682-I752 HydrophobicContact CD1-CG2 3.85Å; I682-I752 HydrophobicContact CG1-CD1 4.03Å; I682-I752 HydrophobicContact CG1-CG1 4.3Å; I682-I752 HydrophobicContact CG1-CG2 4.27Å; I682-I752 HydrophobicContact CG2-CD1 4.28Å; I682-I752 HydrophobicContact CG2-CG2 4.38Å; T685-I752 HydrophobicContact CG2-CD1 4.31Å; L747-I752 CarbonylContact C-O 3.5Å; L747-I752 VanDerWaalsContact C-O 3.25Å; L747-I752 HydrophobicContact CB-CB 4.27Å; L747-I752 HydrophobicContact CB-CG2 4.49Å; L747-I752 HydrophobicContact CD2-CB 4.36Å; L747-I752 HydrophobicContact CD2-CD1 4.42Å; L747-I752 HydrophobicContact CD2-CG2 4.13Å; L747-I752 WeakPolarHBondContact O-CB 3.34Å; L747-I752 PolarHBondContact O-N 3.13Å; H748-I752 PolarHBondContact CD2-O 3.24Å; H750-I752 VanDerWaalsContact C-N 3.3Å; H750-I752 HydrophobicContact CB-CD1 3.98Å; H750-I752 HydrophobicContact CB-CG1 4.47Å; H750-I752 PolarHBondContact O-N 2.95Å; I752-C778 HydrophobicContact CG2-CB 4.04Å; I752-K779 WeakPolarHBondContact CA-O 3.42Å
753	V	97.2	Very high	95.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	137.1	169.2	66.9	0	0	0	0	109.3	R755 C778 K779 M782 R810 V812 D813	V753-R755 HydrophobicContact CB-CG 4.28Å; V753-R755 HydrophobicContact CG1-CG 3.81Å; V753-R755 HydrophobicContact CG2-CG 3.68Å; V753-C778 CarbonylContact O-C 3.58Å; V753-C778 WeakPolarHBondContact O-CA 3.19Å; V753-C778 WeakPolarHBondContact O-CB 3.24Å; V753-K779 HydrophobicContact CG1-CB 4Å; V753-K779 PolarHBondContact N-O 3.47Å; V753-K779 PolarHBondContact O-N 2.82Å; V753-M782 HydrophobicContact CB-CB 4.02Å; V753-M782 HydrophobicContact CB-CG 4.41Å; V753-M782 HydrophobicContact CG1-CB 3.81Å; V753-M782 HydrophobicContact CG1-CE 4.39Å; V753-M782 HydrophobicContact CG1-CG 3.65Å; V753-R810 HydrophobicContact CG2-CB 4.29Å; V753-V812 HydrophobicContact CG2-CG2 3.92Å; V753-D813 WeakPolarHBondContact CG2-OD2 3.02Å
754	Y	96.7	Very high	95.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.			trans	-84.7	-51.6	-170.1	-178.2	-109.1	0	0	0	113.2	L744 L747 D756 L757 N761 I772 A773 F775 L777 C778 D813	L744-Y754 HydrophobicContact CD2-CG 4.48Å; L747-Y754 HydrophobicContact CD1-CD2 4.03Å; L747-Y754 HydrophobicContact CD1-CG 4.36Å; Y754-D756 WeakPolarHBondContact CE1-O 3.37Å; Y754-D756 PolarHBondContact O-N 2.73Å; Y754-L757 HydrophobicContact CD1-CB 4.13Å; Y754-L757 HydrophobicContact CD1-CD1 4.36Å; Y754-L757 HydrophobicContact CE1-CB 4.2Å; Y754-L757 HydrophobicContact CE1-CD1 4.19Å; Y754-N761 WeakPolarHBondContact OH-CB 3.47Å; Y754-N761 PolarHBondContact OH-ND2 3.23Å; Y754-I772 HydrophobicContact CD2-CG2 4.14Å; Y754-I772 HydrophobicContact CE1-CG2 3.88Å; Y754-I772 HydrophobicContact CE2-CG2 3.46Å; Y754-I772 VanDerWaalsContact CE2-CG2 3.46Å; Y754-I772 WeakPolarHBondContact OH-CG2 3.06Å; Y754-A773 PolarHBondContact OH-O 3.26Å; Y754-F775 HydrophobicContact CD2-CD1 4.02Å; Y754-F775 HydrophobicContact CD2-CE1 4.31Å; Y754-F775 AromaticContact CE2-CD1 3.89Å; Y754-F775 HydrophobicContact CE2-CD1 3.89Å; Y754-F775 HydrophobicContact CE2-CE1 4.14Å; Y754-L777 CarbonylContact O-C 3.59Å; Y754-C778 WeakPolarHBondContact CD2-SG 2.98Å; Y754-C778 WeakPolarHBondContact O-CA 3.46Å; Y754-C778 PolarHBondContact O-N 3.05Å; Y754-C778 PolarHBondContact O-SG 2.86Å; Y754-D813 WeakPolarHBondContact CB-OD2 3.38Å; Y754-D813 PolarHBondContact N-OD2 3.12Å
755	R	94.4	Very high	95.2	Very high	20 Å²	20	23.2 Å²	23.2	8%	0.075	11%	0.112	C	C	.	.			trans	67.1	7.7	170.9	-49.6	-173.8	-65	175.7	-3.5	118.9	V753 L777 C778 C792 Y808 V812 D813	V753-R755 HydrophobicContact CB-CG 4.28Å; V753-R755 HydrophobicContact CG1-CG 3.81Å; V753-R755 HydrophobicContact CG2-CG 3.68Å; R755-L777 PolarHBondContact NE-O 2.94Å; R755-L777 PolarHBondContact NH2-O 3.48Å; R755-C778 PolarHBondContact NH2-O 3.15Å; R755-C792 VanDerWaalsContact CZ-SG 3.59Å; R755-Y808 WeakPolarHBondContact CD-OH 3.38Å; R755-Y808 PolarHBondContact NH1-OH 2.91Å; R755-V812 HydrophobicContact CG-CG2 4.12Å; R755-D813 WeakPolarHBondContact CA-OD1 3.33Å; R755-D813 PolarHBondContact N-OD1 2.86Å
756	D	92.3	Very high	95	Very high	2 Å²	2	26 Å²	26	1%	0.011	13%	0.13	C	C	.	.			trans	-142.9	42.5	176.5	-162.6	39	0	0	0	111.9	K492 Y754 K758 N761 L777 T794	K492-D756 WeakPolarHBondContact CE-OD2 3.37Å; K492-D756 IonicContact NZ-OD2 3.89Å; K492-D756 PolarHBondContact NZ-OD2 3.33Å; Y754-D756 WeakPolarHBondContact CE1-O 3.37Å; Y754-D756 PolarHBondContact O-N 2.73Å; D756-K758 PolarHBondContact O-N 2.94Å; D756-N761 VanDerWaalsContact CG-ND2 3.33Å; D756-N761 PolarHBondContact O-ND2 3.08Å; D756-N761 PolarHBondContact OD2-ND2 2.92Å; D756-L777 HydrophobicContact CB-CB 4.08Å; D756-L777 HydrophobicContact CB-CD1 3.91Å; D756-L777 HydrophobicContact CB-CG 4.45Å; D756-T794 PolarHBondContact OD1-OG1 3.2Å
757	L	94.2	Very high	94.8	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.026	15%	0.148	C	C	.	.			trans	-69.6	123.9	176.6	-165.9	73.5	0	0	0	109.9	V740 L744 Y754 L762 F797 L817 L820	V740-L757 HydrophobicContact CG1-CD1 3.73Å; V740-L757 HydrophobicContact CG1-CD2 3.96Å; V740-L757 HydrophobicContact CG1-CG 4.48Å; L744-L757 HydrophobicContact CD1-CD2 4.3Å; Y754-L757 HydrophobicContact CD1-CB 4.13Å; Y754-L757 HydrophobicContact CD1-CD1 4.36Å; Y754-L757 HydrophobicContact CE1-CB 4.2Å; Y754-L757 HydrophobicContact CE1-CD1 4.19Å; L757-L762 HydrophobicContact CD1-CD2 4.15Å; L757-F797 WeakPolarHBondContact O-CD1 3.48Å; L757-F797 WeakPolarHBondContact O-CE1 3.43Å; L757-F797 VanDerWaalsContact O-CG 3.27Å; L757-F797 WeakPolarHBondContact O-CG 3.5Å; L757-L817 HydrophobicContact CD2-CB 4.13Å; L757-L817 HydrophobicContact CD2-CD1 4.49Å; L757-L820 HydrophobicContact CD2-CB 4.35Å; L757-L820 HydrophobicContact CD2-CD2 3.95Å; L757-L820 HydrophobicContact CG-CD2 4.18Å
758	K	91.2	Very high	94.6	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.022	15%	0.148	C	C	.	.	S	Bend	trans	-168.8	165.9	175.9	58.1	172.1	169.7	-176.7	0	111.1	Q490 D756 D760 N761 T794 F797	Q490-K758 HydrophobicContact CB-CD 4.43Å; Q490-K758 PolarHBondContact O-NZ 2.85Å; D756-K758 PolarHBondContact O-N 2.94Å; K758-D760 VanDerWaalsContact C-N 3.32Å; K758-D760 HydrophobicContact CD-CB 4.14Å; K758-D760 HydrophobicContact CG-CB 4.36Å; K758-D760 PolarHBondContact O-N 3.09Å; K758-N761 HydrophobicContact CG-CB 4.24Å; K758-N761 PolarHBondContact O-N 2.86Å; K758-N761 VanDerWaalsContact O-N 3.11Å; K758-T794 HydrophobicContact CD-CG2 4.16Å; K758-T794 WeakPolarHBondContact CE-OG1 3.49Å; K758-T794 PolarHBondContact NZ-OG1 2.82Å; K758-F797 HydrophobicContact CB-CD2 3.89Å; K758-F797 HydrophobicContact CB-CE1 4.34Å; K758-F797 HydrophobicContact CB-CE2 3.57Å; K758-F797 HydrophobicContact CB-CG 4.39Å; K758-F797 HydrophobicContact CB-CZ 3.81Å
759	L	90.6	Very high	94.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-59.1	-35.3	-178.8	-66.6	171.7	0	0	0	114.2	L487 L719 M720 I723 N761 L762 L820 E823 M824	L487-L759 HydrophobicContact CD1-CD1 4.04Å; L719-L759 HydrophobicContact CB-CB 4.42Å; L719-L759 HydrophobicContact CB-CD2 3.84Å; L719-L759 HydrophobicContact CD1-CD2 4.31Å; L719-L759 PolarHBondContact N-O 2.87Å; M720-L759 HydrophobicContact CB-CB 3.87Å; M720-L759 HydrophobicContact CE-CB 4.12Å; M720-L759 HydrophobicContact CE-CD1 4.36Å; M720-L759 PolarHBondContact N-O 3.31Å; M720-L759 HydrophobicContact SD-CB 4.34Å; M720-L759 HydrophobicContact SD-CD1 4.2Å; I723-L759 HydrophobicContact CD1-CD1 4.12Å; I723-L759 HydrophobicContact CG2-CD1 3.93Å; L759-N761 PolarHBondContact O-N 2.84Å; L759-L762 PolarHBondContact O-N 2.97Å; L759-L820 HydrophobicContact CD2-CD1 3.71Å; L759-L820 HydrophobicContact CG-CD1 3.93Å; L759-E823 HydrophobicContact CD1-CB 4.14Å; L759-E823 WeakPolarHBondContact CD1-OE2 3.48Å; L759-M824 HydrophobicContact CD2-CG 3.86Å
760	D	88.9	Confident	94.6	Very high	26 Å²	26	24.8 Å²	24.8	14%	0.139	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-63.9	-25.4	177.4	-67.4	-82.8	0	0	0	113.5	R489 Q490 K758	R489-D760 IonicContact CZ-OD1 3.21Å; R489-D760 IonicContact NH1-OD1 2.65Å; R489-D760 PolarHBondContact NH1-OD1 2.82Å; Q490-D760 PolarHBondContact N-OD2 3.09Å; K758-D760 VanDerWaalsContact C-N 3.32Å; K758-D760 HydrophobicContact CD-CB 4.14Å; K758-D760 HydrophobicContact CG-CB 4.36Å; K758-D760 PolarHBondContact O-N 3.09Å
761	N	93.4	Very high	94.6	Very high	12 Å²	12	21.5 Å²	21.5	6%	0.064	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-98.4	3.9	-176.5	-69.8	-8.7	0	0	0	113.1	Y754 D756 K758 L759 A773	Y754-N761 WeakPolarHBondContact OH-CB 3.47Å; Y754-N761 PolarHBondContact OH-ND2 3.23Å; D756-N761 VanDerWaalsContact CG-ND2 3.33Å; D756-N761 PolarHBondContact O-ND2 3.08Å; D756-N761 PolarHBondContact OD2-ND2 2.92Å; K758-N761 HydrophobicContact CG-CB 4.24Å; K758-N761 PolarHBondContact O-N 2.86Å; K758-N761 VanDerWaalsContact O-N 3.11Å; L759-N761 PolarHBondContact O-N 2.84Å; N761-A773 PolarHBondContact O-N 3.35Å
762	L	96.1	Very high	94.6	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	111.9	179.3	-64.4	-179.9	0	0	0	109.3	D718 L719 V740 L757 L759 V770 I772 L820	D718-L762 CarbonylContact C-O 3.56Å; D718-L762 WeakPolarHBondContact CA-O 3.47Å; L719-L762 HydrophobicContact CB-CB 4.37Å; L719-L762 HydrophobicContact CD1-CB 3.73Å; L719-L762 HydrophobicContact CD1-CD1 3.95Å; L719-L762 HydrophobicContact CG-CB 3.99Å; L719-L762 PolarHBondContact N-O 2.81Å; V740-L762 HydrophobicContact CG2-CD1 3.77Å; V740-L762 HydrophobicContact CG2-CD2 3.8Å; V740-L762 HydrophobicContact CG2-CG 4.46Å; L757-L762 HydrophobicContact CD1-CD2 4.15Å; L759-L762 PolarHBondContact O-N 2.97Å; L762-V770 HydrophobicContact CB-CG1 4Å; L762-V770 HydrophobicContact CD2-CG1 3.99Å; L762-V770 HydrophobicContact CG-CG1 4.39Å; L762-I772 HydrophobicContact CD2-CB 4.23Å; L762-I772 HydrophobicContact CD2-CG1 3.76Å; L762-I772 HydrophobicContact CD2-CG2 4.35Å; L762-L820 HydrophobicContact CD1-CD1 3.77Å; L762-L820 HydrophobicContact CD1-CD2 3.53Å; L762-L820 HydrophobicContact CD1-CG 4.27Å
763	L	95.6	Very high	94.4	Very high	34 Å²	34	16 Å²	16	18%	0.178	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	145.8	-174.3	-52.8	-176.9	0	0	0	111	V695 T714 G717 D718 V770 K771 A773	V695-L763 HydrophobicContact CG2-CD1 4.43Å; T714-L763 HydrophobicContact CG2-CB 3.44Å; T714-L763 VanDerWaalsContact CG2-CB 3.44Å; T714-L763 HydrophobicContact CG2-CD1 4.38Å; G717-L763 CarbonylContact O-C 3.59Å; G717-L763 VanDerWaalsContact O-CA 3.3Å; G717-L763 WeakPolarHBondContact O-CA 3.32Å; D718-L763 HydrophobicContact CB-CD2 3.75Å; L763-V770 CarbonylContact O-C 3.56Å; L763-V770 WeakPolarHBondContact O-CA 3.13Å; L763-K771 PolarHBondContact N-O 2.9Å; L763-K771 PolarHBondContact O-N 2.94Å; L763-A773 HydrophobicContact CD1-CB 3.79Å; L763-A773 HydrophobicContact CG-CB 3.99Å
764	L	95.4	Very high	94	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.2	172.4	-70.9	-180	0	0	0	111.3	T714 G716 G717 L719 Y736 G768 F769 V770 F907	T714-L764 WeakPolarHBondContact CG2-O 3.38Å; G716-L764 CarbonylContact C-O 3.53Å; G716-L764 WeakPolarHBondContact CA-O 3.38Å; G716-L764 PolarHBondContact N-O 3.04Å; G717-L764 PolarHBondContact O-N 2.81Å; L719-L764 HydrophobicContact CD2-CD1 3.9Å; L719-L764 HydrophobicContact CD2-CD2 3.87Å; L719-L764 HydrophobicContact CD2-CG 3.74Å; Y736-L764 HydrophobicContact CE1-CD2 3.8Å; L764-G768 WeakPolarHBondContact CD2-O 3.48Å; L764-F769 WeakPolarHBondContact CA-O 3.37Å; L764-V770 HydrophobicContact CD2-CG2 3.62Å; L764-F907 HydrophobicContact CD1-CD1 3.84Å; L764-F907 HydrophobicContact CD1-CE1 3.81Å
765	D	93.4	Very high	93.7	Very high	13 Å²	13	18 Å²	18	7%	0.07	9%	0.094	C	C	.	.			trans	-79.1	178.2	170.1	70.5	28.1	0	0	0	112.8	T714 E767 G768 F769 R901 P909	T714-D765 HydrophobicContact CG2-CB 4.2Å; D765-E767 PolarHBondContact O-N 2.82Å; D765-E767 VanDerWaalsContact O-N 3.15Å; D765-E767 PolarHBondContact OD1-N 3.48Å; D765-G768 PolarHBondContact O-N 2.88Å; D765-G768 PolarHBondContact OD1-N 2.83Å; D765-G768 VanDerWaalsContact OD1-N 3.14Å; D765-F769 PolarHBondContact N-O 3.11Å; D765-F769 PolarHBondContact OD1-N 3.38Å; D765-R901 IonicContact OD1-NH2 3.11Å; D765-R901 PolarHBondContact OD1-NH2 3.45Å; D765-R901 IonicContact OD2-CZ 2.84Å; D765-R901 IonicContact OD2-NH1 3.77Å; D765-R901 PolarHBondContact OD2-NH1 2.92Å; D765-R901 IonicContact OD2-NH2 3.61Å; D765-R901 PolarHBondContact OD2-NH2 3.08Å; D765-P909 VanDerWaalsContact O-CG 3.31Å; D765-P909 WeakPolarHBondContact O-CG 3.29Å
766	V	92.9	Very high	93.4	Very high	89 Å²	89	17.6 Å²	17.6	54%	0.539	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.5	-174.7	-52.9	0	0	0	0	113.9	A715 I911	A715-V766 HydrophobicContact CB-CG1 4.27Å; V766-I911 HydrophobicContact CB-CD1 3.99Å; V766-I911 HydrophobicContact CG1-CD1 3.79Å
767	E	93.8	Very high	93.2	Very high	100 Å²	100	18 Å²	18	47%	0.467	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-13.1	177.5	-61.5	-175.2	143.3	0	0	111.8	D765 F769 R901 P905	D765-E767 PolarHBondContact O-N 2.82Å; D765-E767 VanDerWaalsContact O-N 3.15Å; D765-E767 PolarHBondContact OD1-N 3.48Å; E767-F769 HydrophobicContact CB-CD2 3.89Å; E767-F769 HydrophobicContact CB-CE2 4.08Å; E767-R901 IonicContact OE2-CZ 3.93Å; E767-R901 IonicContact OE2-NE 3.86Å; E767-R901 PolarHBondContact OE2-NE 2.57Å; E767-R901 IonicContact OE2-NH2 3.84Å; E767-R901 PolarHBondContact OE2-NH2 3.32Å; E767-P905 VanDerWaalsContact O-CG 3.3Å; E767-P905 WeakPolarHBondContact O-CG 3.48Å
768	G	94.3	Very high	93.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	97.5	12.6	-179.6	0	0	0	0	0	115	L764 D765 F907	L764-G768 WeakPolarHBondContact CD2-O 3.48Å; D765-G768 PolarHBondContact O-N 2.88Å; D765-G768 PolarHBondContact OD1-N 2.83Å; D765-G768 VanDerWaalsContact OD1-N 3.14Å; G768-F907 WeakPolarHBondContact CA-O 3.46Å
769	F	97	Very high	93.2	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.018	11%	0.111	C	C	.	.			trans	-82.4	147	171.4	-65.7	-89.8	0	0	0	111.2	F693 F735 L764 D765 E767 L898 R901 V903 P905	F693-F769 HydrophobicContact CD1-CB 4.49Å; F693-F769 HydrophobicContact CE1-CB 4.14Å; F693-F769 AromaticContact CE1-CD1 3.7Å; F693-F769 HydrophobicContact CE1-CD1 3.7Å; F693-F769 HydrophobicContact CE1-CG 4.24Å; F693-F769 HydrophobicContact CZ-CD1 4.3Å; F735-F769 HydrophobicContact CE1-CD1 4.25Å; F735-F769 HydrophobicContact CE2-CE1 4.36Å; F735-F769 AromaticContact CZ-CD1 3.64Å; F735-F769 HydrophobicContact CZ-CD1 3.64Å; F735-F769 AromaticContact CZ-CE1 3.67Å; F735-F769 HydrophobicContact CZ-CE1 3.67Å; L764-F769 WeakPolarHBondContact CA-O 3.37Å; D765-F769 PolarHBondContact N-O 3.11Å; D765-F769 PolarHBondContact OD1-N 3.38Å; E767-F769 HydrophobicContact CB-CD2 3.89Å; E767-F769 HydrophobicContact CB-CE2 4.08Å; F769-L898 HydrophobicContact CE1-CD1 4.35Å; F769-R901 VanDerWaalsContact CD2-CZ 3.49Å; F769-R901 VanDerWaalsContact CD2-NH2 3.27Å; F769-R901 HydrophobicContact CE1-CB 4.17Å; F769-R901 HydrophobicContact CE1-CG 4.3Å; F769-R901 HydrophobicContact CE2-CB 4.08Å; F769-R901 HydrophobicContact CE2-CG 4.41Å; F769-R901 HydrophobicContact CZ-CB 3.74Å; F769-R901 HydrophobicContact CZ-CG 4.24Å; F769-V903 WeakPolarHBondContact CE1-O 3.41Å; F769-V903 WeakPolarHBondContact CZ-O 3.42Å; F769-P905 HydrophobicContact CD1-CG 4.1Å; F769-P905 HydrophobicContact CD2-CG 3.64Å; F769-P905 HydrophobicContact CE1-CG 3.93Å; F769-P905 HydrophobicContact CE2-CG 3.46Å; F769-P905 VanDerWaalsContact CE2-CG 3.46Å; F769-P905 HydrophobicContact CG-CG 3.98Å; F769-P905 HydrophobicContact CZ-CG 3.61Å
770	V	97.4	Very high	93.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	132.8	178	170.7	0	0	0	0	110.7	F693 L719 Y736 C739 V740 L762 L763 L764	F693-V770 WeakPolarHBondContact CB-O 3.15Å; F693-V770 VanDerWaalsContact CD1-O 3.31Å; F693-V770 WeakPolarHBondContact CD1-O 3.49Å; L719-V770 HydrophobicContact CD1-CG2 3.98Å; L719-V770 HydrophobicContact CD2-CG2 4.32Å; L719-V770 HydrophobicContact CG-CG2 4.43Å; Y736-V770 HydrophobicContact CD1-CG2 3.31Å; Y736-V770 HydrophobicContact CE1-CG2 3.88Å; Y736-V770 HydrophobicContact CG-CG2 3.7Å; C739-V770 HydrophobicContact CB-CB 4.03Å; V740-V770 HydrophobicContact CG2-CG1 4.1Å; L762-V770 HydrophobicContact CB-CG1 4Å; L762-V770 HydrophobicContact CD2-CG1 3.99Å; L762-V770 HydrophobicContact CG-CG1 4.39Å; L763-V770 CarbonylContact O-C 3.56Å; L763-V770 WeakPolarHBondContact O-CA 3.13Å; L764-V770 HydrophobicContact CD2-CG2 3.62Å
771	K	96.8	Very high	93.6	Very high	14 Å²	14	25.5 Å²	25.5	6%	0.061	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.9	168.4	-63.1	-167	171.4	-159.8	0	111	P692 F693 V695 E712 L763	P692-K771 VanDerWaalsContact O-CE 3.28Å; P692-K771 WeakPolarHBondContact O-CE 3.36Å; F693-K771 CarbonylContact O-C 3.52Å; F693-K771 WeakPolarHBondContact O-CA 3.2Å; V695-K771 HydrophobicContact CG2-CB 3.84Å; V695-K771 HydrophobicContact CG2-CD 4.48Å; E712-K771 IonicContact OE1-NZ 3.75Å; E712-K771 PolarHBondContact OE1-NZ 3.4Å; E712-K771 IonicContact OE2-NZ 3.08Å; E712-K771 PolarHBondContact OE2-NZ 3.18Å; L763-K771 PolarHBondContact N-O 2.9Å; L763-K771 PolarHBondContact O-N 2.94Å
772	I	97.3	Very high	93.7	Very high	1 Å²	1	25 Å²	25	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	129.1	170.9	-47.7	-179.6	0	0	0	108.9	F693 L694 V695 V740 Y754 L762	F693-I772 PolarHBondContact O-N 3.47Å; L694-I772 HydrophobicContact CD2-CB 3.75Å; L694-I772 HydrophobicContact CD2-CD1 3.92Å; L694-I772 HydrophobicContact CD2-CG1 4.04Å; V695-I772 WeakPolarHBondContact CG2-O 3.27Å; V695-I772 PolarHBondContact N-O 3.08Å; V740-I772 HydrophobicContact CG1-CD1 4.42Å; Y754-I772 HydrophobicContact CD2-CG2 4.14Å; Y754-I772 HydrophobicContact CE1-CG2 3.88Å; Y754-I772 HydrophobicContact CE2-CG2 3.46Å; Y754-I772 VanDerWaalsContact CE2-CG2 3.46Å; Y754-I772 WeakPolarHBondContact OH-CG2 3.06Å; L762-I772 HydrophobicContact CD2-CB 4.23Å; L762-I772 HydrophobicContact CD2-CG1 3.76Å; L762-I772 HydrophobicContact CD2-CG2 4.35Å
773	A	93.3	Very high	93.6	Very high	11 Å²	11	25.2 Å²	25.2	9%	0.091	15%	0.145	C	C	.	.			trans	-115.4	178.5	179.8	0	0	0	0	0	112.4	V695 Y754 N761 L763	V695-A773 HydrophobicContact CG2-CB 3.84Å; Y754-A773 PolarHBondContact OH-O 3.26Å; N761-A773 PolarHBondContact O-N 3.35Å; L763-A773 HydrophobicContact CD1-CB 3.79Å; L763-A773 HydrophobicContact CG-CB 3.99Å
774	D	89	Confident	93.6	Very high	39 Å²	39	30 Å²	30	21%	0.209	16%	0.162	C	C	.	.			trans	52	77.1	172	-165.2	17.1	0	0	0	116.5	K492 K660 G776	K492-D774 IonicContact NZ-OD2 3.76Å; K492-D774 PolarHBondContact NZ-OD2 3.08Å; K660-D774 IonicContact NZ-OD1 2.64Å; K660-D774 PolarHBondContact NZ-OD1 3.25Å; D774-G776 PolarHBondContact O-N 2.64Å
775	F	90.9	Very high	93.5	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-79	10.4	179.3	-55.8	-74.9	0	0	0	114.8	E679 I682 F683 V686 L694 L747 Y754 L777 C778	E679-F775 HydrophobicContact CG-CB 4.27Å; I682-F775 HydrophobicContact CG2-CB 3.99Å; I682-F775 HydrophobicContact CG2-CD1 4.14Å; I682-F775 HydrophobicContact CG2-CG 4.03Å; F683-F775 AromaticContact CD1-CD2 3.82Å; F683-F775 HydrophobicContact CD1-CD2 3.82Å; F683-F775 AromaticContact CD1-CE2 3.93Å; F683-F775 HydrophobicContact CD1-CE2 3.93Å; F683-F775 HydrophobicContact CD2-CD2 4.37Å; F683-F775 AromaticContact CE1-CD2 3.47Å; F683-F775 HydrophobicContact CE1-CD2 3.47Å; F683-F775 VanDerWaalsContact CE1-CD2 3.47Å; F683-F775 AromaticContact CE1-CE2 3.56Å; F683-F775 HydrophobicContact CE1-CE2 3.56Å; F683-F775 HydrophobicContact CE2-CD2 4.05Å; F683-F775 HydrophobicContact CG-CD2 4.28Å; F683-F775 AromaticContact CZ-CD2 3.6Å; F683-F775 HydrophobicContact CZ-CD2 3.6Å; F683-F775 HydrophobicContact CZ-CE2 4.1Å; V686-F775 HydrophobicContact CG2-CZ 4.46Å; L694-F775 HydrophobicContact CB-CZ 4.2Å; L694-F775 HydrophobicContact CD2-CE1 4.23Å; L694-F775 HydrophobicContact CD2-CZ 4.19Å; L747-F775 HydrophobicContact CD1-CE1 4.31Å; L747-F775 HydrophobicContact CD2-CE1 4.42Å; Y754-F775 HydrophobicContact CD2-CD1 4.02Å; Y754-F775 HydrophobicContact CD2-CE1 4.31Å; Y754-F775 AromaticContact CE2-CD1 3.89Å; Y754-F775 HydrophobicContact CE2-CD1 3.89Å; Y754-F775 HydrophobicContact CE2-CE1 4.14Å; F775-L777 VanDerWaalsContact C-N 3.25Å; F775-L777 PolarHBondContact O-N 2.89Å; F775-L777 VanDerWaalsContact O-N 3.17Å; F775-C778 WeakPolarHBondContact CA-SG 3.31Å; F775-C778 HydrophobicContact CB-CB 4.44Å; F775-C778 VanDerWaalsContact O-CB 3.28Å; F775-C778 WeakPolarHBondContact O-CB 3.47Å; F775-C778 PolarHBondContact O-N 2.61Å; F775-C778 PolarHBondContact O-SG 3.31Å
776	G	87.1	Confident	93.6	Very high	12 Å²	12	35.3 Å²	35.3	12%	0.124	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-63.3	-24.2	-173.7	0	0	0	0	0	115.3	K496 E679 D774	K496-G776 VanDerWaalsContact CE-O 3.28Å; K496-G776 WeakPolarHBondContact CE-O 3.46Å; K496-G776 PolarHBondContact NZ-O 2.96Å; E679-G776 VanDerWaalsContact OE2-CA 3.31Å; E679-G776 WeakPolarHBondContact OE2-CA 3.48Å; D774-G776 PolarHBondContact O-N 2.64Å
777	L	88.3	Confident	93.7	Very high	12 Å²	12	37 Å²	37	6%	0.063	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-95.8	0.2	174.1	-69.2	-170.3	0	0	0	114.2	K492 K496 Y754 R755 D756 F775 C792	K492-L777 HydrophobicContact CD-CD1 4.48Å; K496-L777 HydrophobicContact CG-CD2 4.18Å; Y754-L777 CarbonylContact O-C 3.59Å; R755-L777 PolarHBondContact NE-O 2.94Å; R755-L777 PolarHBondContact NH2-O 3.48Å; D756-L777 HydrophobicContact CB-CB 4.08Å; D756-L777 HydrophobicContact CB-CD1 3.91Å; D756-L777 HydrophobicContact CB-CG 4.45Å; F775-L777 VanDerWaalsContact C-N 3.25Å; F775-L777 PolarHBondContact O-N 2.89Å; F775-L777 VanDerWaalsContact O-N 3.17Å; L777-C792 HydrophobicContact CD2-CB 4.17Å
778	C	93.3	Very high	93.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	18%	0.179	C	C	.	.			trans	-66.3	168	178.1	-56.4	0	0	0	0	112.7	K496 I682 I752 V753 Y754 R755 F775	K496-C778 PolarHBondContact NZ-O 3.13Å; I682-C778 HydrophobicContact CD1-CB 3.47Å; I682-C778 VanDerWaalsContact CD1-CB 3.47Å; I752-C778 HydrophobicContact CG2-CB 4.04Å; V753-C778 CarbonylContact O-C 3.58Å; V753-C778 WeakPolarHBondContact O-CA 3.19Å; V753-C778 WeakPolarHBondContact O-CB 3.24Å; Y754-C778 WeakPolarHBondContact CD2-SG 2.98Å; Y754-C778 WeakPolarHBondContact O-CA 3.46Å; Y754-C778 PolarHBondContact O-N 3.05Å; Y754-C778 PolarHBondContact O-SG 2.86Å; R755-C778 PolarHBondContact NH2-O 3.15Å; F775-C778 WeakPolarHBondContact CA-SG 3.31Å; F775-C778 HydrophobicContact CB-CB 4.44Å; F775-C778 VanDerWaalsContact O-CB 3.28Å; F775-C778 WeakPolarHBondContact O-CB 3.47Å; F775-C778 PolarHBondContact O-N 2.61Å; F775-C778 PolarHBondContact O-SG 3.31Å
779	K	91.9	Very high	93.3	Very high	66 Å²	66	36.1 Å²	36.1	29%	0.287	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	125.6	172.7	174.2	167.2	173.7	168.3	0	111.3	I752 V753 M782 T788	I752-K779 WeakPolarHBondContact CA-O 3.42Å; V753-K779 HydrophobicContact CG1-CB 4Å; V753-K779 PolarHBondContact N-O 3.47Å; V753-K779 PolarHBondContact O-N 2.82Å; K779-M782 HydrophobicContact CB-CG 4.37Å; K779-M782 HydrophobicContact CD-CG 4.2Å; K779-M782 HydrophobicContact CD-SD 4.37Å; K779-M782 HydrophobicContact CG-CG 3.86Å; K779-T788 HydrophobicContact CD-CG2 4.3Å; K779-T788 WeakPolarHBondContact CD-OG1 3.27Å; K779-T788 PolarHBondContact NZ-OG1 2.93Å
780	E	93.4	Very high	92.7	Very high	75 Å²	75	38.1 Å²	38.1	35%	0.35	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	163.3	170.5	70.4	-162.8	175.4	0	0	112.3	R681 K751	R681-E780 IonicContact CZ-OE1 3.08Å; R681-E780 IonicContact CZ-OE2 2.9Å; R681-E780 IonicContact NE-OE1 3.69Å; R681-E780 PolarHBondContact NE-OE1 3.46Å; R681-E780 IonicContact NE-OE2 3.74Å; R681-E780 PolarHBondContact NE-OE2 3.1Å; R681-E780 VanDerWaalsContact NE-OE2 3.08Å; R681-E780 IonicContact NH2-OE1 3.32Å; R681-E780 PolarHBondContact NH2-OE1 3.29Å; R681-E780 IonicContact NH2-OE2 3.78Å; K751-E780 CarbonylContact O-C 3.58Å
781	G	94.1	Very high	92	Very high	51 Å²	51	40 Å²	40	53%	0.526	23%	0.225	S	C	.	.	S	Bend	trans	72.3	31.2	179.3	0	0	0	0	0	114	K751	K751-G781 PolarHBondContact O-N 3.39Å
782	M	95.8	Very high	91.3	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	22%	0.224	C	C	.	.			trans	-121.1	64.8	-176.4	-70.4	-68.5	-48.9	0	0	110.6	K751 V753 K779 D786 T788	K751-M782 PolarHBondContact O-N 2.83Å; V753-M782 HydrophobicContact CB-CB 4.02Å; V753-M782 HydrophobicContact CB-CG 4.41Å; V753-M782 HydrophobicContact CG1-CB 3.81Å; V753-M782 HydrophobicContact CG1-CE 4.39Å; V753-M782 HydrophobicContact CG1-CG 3.65Å; K779-M782 HydrophobicContact CB-CG 4.37Å; K779-M782 HydrophobicContact CD-CG 4.2Å; K779-M782 HydrophobicContact CD-SD 4.37Å; K779-M782 HydrophobicContact CG-CG 3.86Å; M782-D786 WeakPolarHBondContact CE-O 3.49Å; M782-D786 HydrophobicContact SD-CB 4.41Å; M782-T788 HydrophobicContact CE-CG2 3.78Å; M782-T788 HydrophobicContact SD-CG2 3.85Å
783	G	94.7	Very high	90.7	Very high	5 Å²	5	39.5 Å²	39.5	5%	0.052	22%	0.224	C	C	.	.			trans	-78.8	-164.5	173.6	0	0	0	0	0	113.2	G785 D786	G783-G785 PolarHBondContact O-N 3.4Å; G783-D786 VanDerWaalsContact CA-OD2 3.31Å; G783-D786 WeakPolarHBondContact CA-OD2 3.44Å; G783-D786 PolarHBondContact N-OD2 2.84Å; G783-D786 PolarHBondContact O-N 2.9Å
784	Y	96.1	Very high	90.2	Very high	135 Å²	135	39 Å²	39	53%	0.529	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	125.3	174.6	-178.5	-118.2	0	0	0	110.9	D786 G877 E878	Y784-D786 VanDerWaalsContact C-N 3.31Å; Y784-D786 PolarHBondContact O-N 3.27Å; Y784-G877 VanDerWaalsContact CE2-C 3.47Å; Y784-E878 HydrophobicContact CD1-CB 3.95Å; Y784-E878 HydrophobicContact CD1-CG 4.02Å; Y784-E878 HydrophobicContact CD2-CB 4.47Å; Y784-E878 HydrophobicContact CE1-CB 3.88Å; Y784-E878 HydrophobicContact CE1-CG 4.35Å; Y784-E878 HydrophobicContact CE2-CB 4.43Å; Y784-E878 HydrophobicContact CG-CB 4.25Å; Y784-E878 HydrophobicContact CG-CG 4.4Å
785	G	92.2	Very high	89.9	Confident	54 Å²	54	37.6 Å²	37.6	56%	0.557	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.2	-22.2	-177.4	0	0	0	0	0	115.3	G783	G783-G785 PolarHBondContact O-N 3.4Å
786	D	96.6	Very high	89.5	Confident	71 Å²	71	40.1 Å²	40.1	38%	0.38	22%	0.224	S	C	.	.			trans	-65.6	145.1	179.5	-68.8	-43.6	0	0	0	112.2	M782 G783 Y784	M782-D786 WeakPolarHBondContact CE-O 3.49Å; M782-D786 HydrophobicContact SD-CB 4.41Å; G783-D786 VanDerWaalsContact CA-OD2 3.31Å; G783-D786 WeakPolarHBondContact CA-OD2 3.44Å; G783-D786 PolarHBondContact N-OD2 2.84Å; G783-D786 PolarHBondContact O-N 2.9Å; Y784-D786 VanDerWaalsContact C-N 3.31Å; Y784-D786 PolarHBondContact O-N 3.27Å
787	R	94.6	Very high	89.7	Confident	125 Å²	125	40.2 Å²	40.2	47%	0.472	22%	0.221	S	C	.	.			trans	-129.3	148.6	-173.6	-54.2	-168.2	76.7	97	-2.4	113.3	S807 Y808 T809	R787-S807 PolarHBondContact NE-OG 2.9Å; R787-S807 PolarHBondContact NH2-O 2.88Å; R787-Y808 CarbonylContact C-O 3.47Å; R787-Y808 VanDerWaalsContact CA-O 3.31Å; R787-Y808 WeakPolarHBondContact CA-O 3.26Å; R787-T809 HydrophobicContact CG-CG2 4.05Å
788	T	91.9	Very high	89.8	Confident	5 Å²	5	40 Å²	40	3%	0.031	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-137.7	153.7	173.2	-173.6	0	0	0	0	111.5	K779 M782 S807 Y808	K779-T788 HydrophobicContact CD-CG2 4.3Å; K779-T788 WeakPolarHBondContact CD-OG1 3.27Å; K779-T788 PolarHBondContact NZ-OG1 2.93Å; M782-T788 HydrophobicContact CE-CG2 3.78Å; M782-T788 HydrophobicContact SD-CG2 3.85Å; T788-S807 CarbonylContact O-C 3.58Å; T788-S807 WeakPolarHBondContact O-CA 3.45Å; T788-S807 WeakPolarHBondContact O-CB 3.35Å; T788-Y808 HydrophobicContact CG2-CD2 3.87Å; T788-Y808 HydrophobicContact CG2-CE1 4.33Å; T788-Y808 HydrophobicContact CG2-CE2 3.32Å; T788-Y808 PolarHBondContact N-O 3.4Å; T788-Y808 PolarHBondContact O-N 3.03Å
789	S	87.5	Confident	89.9	Confident	76 Å²	76	40 Å²	40	53%	0.531	22%	0.221	S	C	.	.			trans	-110.9	-14.6	-174.8	53.8	0	0	0	0	115	R504 F791 T806	R504-S789 PolarHBondContact NH2-O 3.27Å; S789-F791 PolarHBondContact O-N 2.94Å; S789-T806 WeakPolarHBondContact CB-O 3.42Å
790	T	84.6	Confident	90	Very high	45 Å²	45	37.1 Å²	37.1	28%	0.276	21%	0.209	S	C	.	.			trans	-52.8	121.3	-176.1	-43	0	0	0	0	112.1	K496 C792 Y808	K496-T790 HydrophobicContact CB-CG2 4.35Å; K496-T790 HydrophobicContact CG-CG2 4.25Å; T790-C792 HydrophobicContact CG2-CB 4.47Å; T790-C792 PolarHBondContact O-N 3.1Å; T790-Y808 VanDerWaalsContact O-CE1 3.25Å; T790-Y808 WeakPolarHBondContact O-CE1 3.31Å; T790-Y808 PolarHBondContact O-OH 3.38Å
791	F	83.4	Confident	90	Very high	40 Å²	40	33.6 Å²	33.6	18%	0.175	19%	0.192	C	C	.	.			trans	-81.1	110.7	172.9	-168	-93.5	0	0	0	109.2	F494 W515 S789 L798 V802 L803	F494-F791 HydrophobicContact CB-CD1 4.28Å; F494-F791 HydrophobicContact CB-CE1 4.4Å; F494-F791 HydrophobicContact CD1-CD1 4.34Å; F494-F791 HydrophobicContact CD1-CE1 4.1Å; F494-F791 HydrophobicContact CD2-CD1 4.44Å; F494-F791 AromaticContact CD2-CE1 3.74Å; F494-F791 HydrophobicContact CD2-CE1 3.74Å; F494-F791 HydrophobicContact CE1-CE1 4.37Å; F494-F791 HydrophobicContact CE2-CE1 4.06Å; F494-F791 HydrophobicContact CG-CD1 4.07Å; F494-F791 AromaticContact CG-CE1 3.78Å; F494-F791 HydrophobicContact CG-CE1 3.78Å; F494-F791 HydrophobicContact CZ-CE1 4.36Å; W515-F791 AromaticContact CH2-CE2 3.99Å; W515-F791 HydrophobicContact CH2-CE2 3.99Å; W515-F791 HydrophobicContact CH2-CZ 4Å; S789-F791 PolarHBondContact O-N 2.94Å; F791-L798 HydrophobicContact CE1-CD1 4.35Å; F791-L798 HydrophobicContact CE2-CD1 4.34Å; F791-L798 HydrophobicContact CZ-CD1 3.85Å; F791-V802 HydrophobicContact CD2-CG1 3.98Å; F791-V802 WeakPolarHBondContact CD2-O 3.27Å; F791-V802 HydrophobicContact CE2-CG1 4.23Å; F791-V802 WeakPolarHBondContact CE2-O 3.45Å; F791-L803 HydrophobicContact CE2-CD2 3.9Å; F791-L803 HydrophobicContact CZ-CD2 3.97Å
792	C	82.4	Confident	89.8	Confident	4 Å²	4	31.4 Å²	31.4	3%	0.027	17%	0.168	C	C	.	.			trans	-162.3	154.3	-179.8	60	0	0	0	0	110.8	R755 L777 T790 L798	R755-C792 VanDerWaalsContact CZ-SG 3.59Å; L777-C792 HydrophobicContact CD2-CB 4.17Å; T790-C792 HydrophobicContact CG2-CB 4.47Å; T790-C792 PolarHBondContact O-N 3.1Å; C792-L798 WeakPolarHBondContact O-CD2 3.26Å
793	G	83.5	Confident	89.4	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.01	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	135.1	-176	178.5	0	0	0	0	0	111.4
794	T	82.6	Confident	88.8	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	17%	0.17	C	C	.	.			trans	-91.4	129.7	175.7	-63.1	0	0	0	0	109.4	Q490 D756 K758 E796 F797 L798	Q490-T794 HydrophobicContact CB-CG2 3.56Å; Q490-T794 HydrophobicContact CG-CG2 4.3Å; D756-T794 PolarHBondContact OD1-OG1 3.2Å; K758-T794 HydrophobicContact CD-CG2 4.16Å; K758-T794 WeakPolarHBondContact CE-OG1 3.49Å; K758-T794 PolarHBondContact NZ-OG1 2.82Å; T794-E796 PolarHBondContact O-N 2.81Å; T794-F797 HydrophobicContact CG2-CD2 4.49Å; T794-F797 PolarHBondContact O-N 2.83Å; T794-L798 PolarHBondContact O-N 2.89Å
795	P	82.6	Confident	88.3	Confident	8 Å²	8	27.5 Å²	27.5	5%	0.052	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-48.5	-52.2	-168.2	-33.2	37	0	0	0	116	V493 F494 F797 L798 F840 I843	V493-P795 HydrophobicContact CB-CG 4.1Å; V493-P795 HydrophobicContact CG2-CG 3.68Å; F494-P795 HydrophobicContact CE2-CG 4.42Å; P795-F797 PolarHBondContact O-N 3.42Å; P795-F797 VanDerWaalsContact O-N 3.15Å; P795-L798 PolarHBondContact O-N 2.83Å; P795-L798 VanDerWaalsContact O-N 3.16Å; P795-F840 HydrophobicContact CB-CE1 3.7Å; P795-F840 HydrophobicContact CB-CZ 3.79Å; P795-F840 HydrophobicContact CG-CZ 4.26Å; P795-I843 WeakPolarHBondContact O-CD1 3.4Å
796	E	84.1	Confident	87.6	Confident	54 Å²	54	28.9 Å²	28.9	25%	0.252	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-61.8	-20.7	-178.9	-66.8	158.2	-123.6	0	0	113.5	Q490 T794 V839	Q490-E796 PolarHBondContact NE2-OE2 2.89Å; T794-E796 PolarHBondContact O-N 2.81Å; E796-V839 HydrophobicContact CG-CG1 4.09Å
797	F	90.4	Very high	87.3	Confident	14 Å²	14	26.7 Å²	26.7	6%	0.061	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-103	-3.4	-178.5	-83.9	-90.2	0	0	0	114	L757 K758 T794 P795 A799 V819 L820 E823	L757-F797 WeakPolarHBondContact O-CD1 3.48Å; L757-F797 WeakPolarHBondContact O-CE1 3.43Å; L757-F797 VanDerWaalsContact O-CG 3.27Å; L757-F797 WeakPolarHBondContact O-CG 3.5Å; K758-F797 HydrophobicContact CB-CD2 3.89Å; K758-F797 HydrophobicContact CB-CE1 4.34Å; K758-F797 HydrophobicContact CB-CE2 3.57Å; K758-F797 HydrophobicContact CB-CG 4.39Å; K758-F797 HydrophobicContact CB-CZ 3.81Å; T794-F797 HydrophobicContact CG2-CD2 4.49Å; T794-F797 PolarHBondContact O-N 2.83Å; P795-F797 PolarHBondContact O-N 3.42Å; P795-F797 VanDerWaalsContact O-N 3.15Å; F797-A799 PolarHBondContact O-N 3.39Å; F797-V819 HydrophobicContact CD1-CB 3.65Å; F797-V819 HydrophobicContact CD1-CG1 3.58Å; F797-V819 HydrophobicContact CD1-CG2 4.44Å; F797-V819 HydrophobicContact CD2-CG1 4.23Å; F797-V819 HydrophobicContact CE1-CB 3.61Å; F797-V819 HydrophobicContact CE1-CG1 3.44Å; F797-V819 VanDerWaalsContact CE1-CG1 3.44Å; F797-V819 HydrophobicContact CE2-CG1 4.08Å; F797-V819 HydrophobicContact CG-CB 4.45Å; F797-V819 HydrophobicContact CG-CG1 4Å; F797-V819 HydrophobicContact CZ-CB 4.35Å; F797-V819 HydrophobicContact CZ-CG1 3.7Å; F797-L820 HydrophobicContact CE1-CB 4.11Å; F797-E823 WeakPolarHBondContact CE2-OE1 3.39Å; F797-E823 VanDerWaalsContact CZ-CD 3.45Å; F797-E823 HydrophobicContact CZ-CG 4.4Å; F797-E823 VanDerWaalsContact CZ-OE2 3.26Å; F797-E823 WeakPolarHBondContact CZ-OE2 3.42Å
798	L	91	Very high	87.3	Confident	7 Å²	7	20.8 Å²	20.8	4%	0.037	12%	0.122	C	C	.	.			trans	-66.3	130.4	180	-67	-173.8	0	0	0	111	F791 C792 T794 P795 V802 L803 W815 F840	F791-L798 HydrophobicContact CE1-CD1 4.35Å; F791-L798 HydrophobicContact CE2-CD1 4.34Å; F791-L798 HydrophobicContact CZ-CD1 3.85Å; C792-L798 WeakPolarHBondContact O-CD2 3.26Å; T794-L798 PolarHBondContact O-N 2.89Å; P795-L798 PolarHBondContact O-N 2.83Å; P795-L798 VanDerWaalsContact O-N 3.16Å; L798-V802 HydrophobicContact CD2-CG1 4.26Å; L798-L803 HydrophobicContact CB-CD2 4.21Å; L798-L803 HydrophobicContact CB-CG 4.47Å; L798-L803 HydrophobicContact CD1-CD2 3.75Å; L798-W815 PolarHBondContact O-NE1 3.38Å; L798-F840 HydrophobicContact CD1-CE1 3.87Å; L798-F840 HydrophobicContact CD1-CZ 4.37Å
799	A	94.7	Very high	87.5	Confident	2 Å²	2	21.7 Å²	21.7	2%	0.017	13%	0.127	C	C	.	.			trans	-71.5	148.1	173	0	0	0	0	0	110.7	F797 E801 V802 V812 W815	F797-A799 PolarHBondContact O-N 3.39Å; A799-E801 WeakPolarHBondContact CB-OE2 3.45Å; A799-E801 PolarHBondContact O-N 2.88Å; A799-E801 VanDerWaalsContact O-N 3.15Å; A799-V802 HydrophobicContact CB-CG2 4.21Å; A799-V802 VanDerWaalsContact O-CB 3.31Å; A799-V802 WeakPolarHBondContact O-CB 3.32Å; A799-V802 PolarHBondContact O-N 2.82Å; A799-V812 HydrophobicContact CB-CB 4.15Å; A799-V812 HydrophobicContact CB-CG1 3.95Å; A799-W815 VanDerWaalsContact CA-CD1 3.48Å; A799-W815 HydrophobicContact CB-CB 3.75Å; A799-W815 HydrophobicContact CB-CD2 4.18Å; A799-W815 HydrophobicContact CB-CG 3.61Å
800	P	94	Very high	88	Confident	5 Å²	5	18.9 Å²	18.9	3%	0.032	11%	0.105	C	C	.	.	H	α-helix	trans	-55.3	-38.3	-175.3	-27.5	35.5	0	0	0	113.2	V802 L803 T804 W815 I843 R868	P800-V802 PolarHBondContact O-N 2.82Å; P800-L803 WeakPolarHBondContact O-CA 3.28Å; P800-L803 WeakPolarHBondContact O-CB 3.46Å; P800-L803 PolarHBondContact O-N 3.27Å; P800-T804 PolarHBondContact O-N 3.07Å; P800-T804 PolarHBondContact O-OG1 3.34Å; P800-T804 VanDerWaalsContact O-OG1 3.13Å; P800-W815 HydrophobicContact CG-CE3 4.33Å; P800-W815 HydrophobicContact CG-CH2 3.48Å; P800-W815 VanDerWaalsContact CG-CH2 3.48Å; P800-W815 HydrophobicContact CG-CZ2 3.84Å; P800-W815 HydrophobicContact CG-CZ3 3.76Å; P800-I843 HydrophobicContact CB-CG2 4.42Å; P800-I843 HydrophobicContact CG-CG2 3.89Å; P800-R868 HydrophobicContact CG-CB 4.25Å; P800-R868 HydrophobicContact CG-CG 4.05Å
801	E	93.6	Very high	88.6	Confident	2 Å²	2	16.7 Å²	16.7	1%	0.009	9%	0.092	C	C	.	.	H	α-helix	trans	-67.3	-15.7	177.6	69.2	-88.3	-157.2	0	0	114.4	R504 A799 D805 V812 P870 R873	R504-E801 PolarHBondContact NH1-O 2.79Å; A799-E801 WeakPolarHBondContact CB-OE2 3.45Å; A799-E801 PolarHBondContact O-N 2.88Å; A799-E801 VanDerWaalsContact O-N 3.15Å; E801-D805 HydrophobicContact CB-CB 4.44Å; E801-D805 PolarHBondContact O-N 3.48Å; E801-V812 HydrophobicContact CG-CG1 4.37Å; E801-P870 HydrophobicContact CB-CG 4.43Å; E801-P870 HydrophobicContact CG-CG 4.31Å; E801-R873 IonicContact OE1-CZ 3.36Å; E801-R873 IonicContact OE1-NH1 3.94Å; E801-R873 PolarHBondContact OE1-NH1 2.9Å; E801-R873 IonicContact OE1-NH2 2.76Å; E801-R873 PolarHBondContact OE1-NH2 3.5Å; E801-R873 IonicContact OE2-CZ 2.69Å; E801-R873 IonicContact OE2-NH1 3.03Å; E801-R873 PolarHBondContact OE2-NH1 2.94Å; E801-R873 IonicContact OE2-NH2 3.38Å; E801-R873 PolarHBondContact OE2-NH2 3.49Å
802	V	90.6	Very high	89.3	Confident	4 Å²	4	15.4 Å²	15.4	2%	0.024	9%	0.087	C	C	.	.	H	α-helix	trans	-76.3	-33.2	170	-172.9	0	0	0	0	110.3	R504 F791 L798 A799 P800 Y808 V812	R504-V802 WeakPolarHBondContact CD-O 3.4Å; R504-V802 PolarHBondContact NE-O 2.87Å; R504-V802 PolarHBondContact NH1-O 2.6Å; F791-V802 HydrophobicContact CD2-CG1 3.98Å; F791-V802 WeakPolarHBondContact CD2-O 3.27Å; F791-V802 HydrophobicContact CE2-CG1 4.23Å; F791-V802 WeakPolarHBondContact CE2-O 3.45Å; L798-V802 HydrophobicContact CD2-CG1 4.26Å; A799-V802 HydrophobicContact CB-CG2 4.21Å; A799-V802 VanDerWaalsContact O-CB 3.31Å; A799-V802 WeakPolarHBondContact O-CB 3.32Å; A799-V802 PolarHBondContact O-N 2.82Å; P800-V802 PolarHBondContact O-N 2.82Å; V802-Y808 HydrophobicContact CB-CD1 4.35Å; V802-Y808 HydrophobicContact CG1-CD1 4.36Å; V802-Y808 HydrophobicContact CG1-CE1 4.07Å; V802-Y808 HydrophobicContact CG2-CD1 3.81Å; V802-Y808 HydrophobicContact CG2-CD2 4.49Å; V802-Y808 HydrophobicContact CG2-CE1 4.08Å; V802-Y808 HydrophobicContact CG2-CG 4.04Å; V802-V812 HydrophobicContact CG2-CG1 3.73Å
803	L	85.9	Confident	90	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-81.3	-44.8	177	-54	177.1	0	0	0	111.9	R504 F791 L798 P800 F840 I843 V844	R504-L803 WeakPolarHBondContact CD-O 3.41Å; F791-L803 HydrophobicContact CE2-CD2 3.9Å; F791-L803 HydrophobicContact CZ-CD2 3.97Å; L798-L803 HydrophobicContact CB-CD2 4.21Å; L798-L803 HydrophobicContact CB-CG 4.47Å; L798-L803 HydrophobicContact CD1-CD2 3.75Å; P800-L803 WeakPolarHBondContact O-CA 3.28Å; P800-L803 WeakPolarHBondContact O-CB 3.46Å; P800-L803 PolarHBondContact O-N 3.27Å; L803-F840 HydrophobicContact CD1-CB 4.15Å; L803-F840 HydrophobicContact CD1-CD1 3.84Å; L803-F840 HydrophobicContact CD1-CG 4.32Å; L803-F840 HydrophobicContact CD2-CD1 3.61Å; L803-F840 HydrophobicContact CD2-CE1 3.88Å; L803-F840 HydrophobicContact CD2-CG 4.16Å; L803-F840 HydrophobicContact CG-CD1 4.4Å; L803-I843 HydrophobicContact CD1-CB 4.03Å; L803-I843 HydrophobicContact CD1-CD1 4.39Å; L803-I843 HydrophobicContact CD1-CG2 3.64Å; L803-V844 HydrophobicContact CB-CG2 4.17Å; L803-V844 HydrophobicContact CD1-CG2 3.8Å
804	T	83.4	Confident	90.8	Very high	13 Å²	13	15.3 Å²	15.3	8%	0.08	9%	0.086	C	C	.	.	H	α-helix	trans	-94	-39.6	-166.7	62.2	0	0	0	0	115.2	R506 I512 P800 V844	R506-T804 WeakPolarHBondContact CB-O 3.43Å; R506-T804 WeakPolarHBondContact CD-O 3.28Å; I512-T804 HydrophobicContact CD1-CG2 4.49Å; P800-T804 PolarHBondContact O-N 3.07Å; P800-T804 PolarHBondContact O-OG1 3.34Å; P800-T804 VanDerWaalsContact O-OG1 3.13Å; T804-V844 HydrophobicContact CG2-CG1 3.81Å; T804-V844 HydrophobicContact CG2-CG2 3.83Å
805	D	85.5	Confident	91.5	Very high	46 Å²	46	15.3 Å²	15.3	25%	0.246	9%	0.086	C	C	.	.	S	Bend	trans	-93.9	-160.6	-162.8	-63.4	-7.1	0	0	0	111.4	R504 R506 E801	R504-D805 WeakPolarHBondContact CD-O 3.3Å; R504-D805 WeakPolarHBondContact CG-O 3.3Å; R504-D805 VanDerWaalsContact CZ-O 3.25Å; R504-D805 PolarHBondContact NE-O 3.11Å; R504-D805 PolarHBondContact NH1-O 3.05Å; R506-D805 IonicContact NH1-OD1 3.49Å; R506-D805 PolarHBondContact NH1-OD1 3.01Å; E801-D805 HydrophobicContact CB-CB 4.44Å; E801-D805 PolarHBondContact O-N 3.48Å
806	T	77.1	Confident	92.2	Very high	82 Å²	82	15.1 Å²	15.1	50%	0.503	9%	0.085	S	C	.	.	S	Bend	trans	-105.4	-21	174.6	60.7	0	0	0	0	113	Q507 S789	Q507-T806 HydrophobicContact CG-CG2 4.14Å; S789-T806 WeakPolarHBondContact CB-O 3.42Å
807	S	89.9	Confident	92.9	Very high	25 Å²	25	12.5 Å²	12.5	18%	0.175	7%	0.073	C	C	.	.			trans	-160	155.9	-177.4	59.5	0	0	0	0	110.7	R787 T788	R787-S807 PolarHBondContact NE-OG 2.9Å; R787-S807 PolarHBondContact NH2-O 2.88Å; T788-S807 CarbonylContact O-C 3.58Å; T788-S807 WeakPolarHBondContact O-CA 3.45Å; T788-S807 WeakPolarHBondContact O-CB 3.35Å
808	Y	94.8	Very high	93.3	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.008	7%	0.07	C	C	.	.	B	Isolated β-bridge	trans	-136.7	166.4	-178.1	57.7	-96.3	0	0	0	111.2	R755 R787 T788 T790 V802 V812	R755-Y808 WeakPolarHBondContact CD-OH 3.38Å; R755-Y808 PolarHBondContact NH1-OH 2.91Å; R787-Y808 CarbonylContact C-O 3.47Å; R787-Y808 VanDerWaalsContact CA-O 3.31Å; R787-Y808 WeakPolarHBondContact CA-O 3.26Å; T788-Y808 HydrophobicContact CG2-CD2 3.87Å; T788-Y808 HydrophobicContact CG2-CE1 4.33Å; T788-Y808 HydrophobicContact CG2-CE2 3.32Å; T788-Y808 PolarHBondContact N-O 3.4Å; T788-Y808 PolarHBondContact O-N 3.03Å; T790-Y808 VanDerWaalsContact O-CE1 3.25Å; T790-Y808 WeakPolarHBondContact O-CE1 3.31Å; T790-Y808 PolarHBondContact O-OH 3.38Å; V802-Y808 HydrophobicContact CB-CD1 4.35Å; V802-Y808 HydrophobicContact CG1-CD1 4.36Å; V802-Y808 HydrophobicContact CG1-CE1 4.07Å; V802-Y808 HydrophobicContact CG2-CD1 3.81Å; V802-Y808 HydrophobicContact CG2-CD2 4.49Å; V802-Y808 HydrophobicContact CG2-CE1 4.08Å; V802-Y808 HydrophobicContact CG2-CG 4.04Å; Y808-V812 HydrophobicContact CD2-CB 4.42Å; Y808-V812 HydrophobicContact CD2-CG1 3.46Å; Y808-V812 VanDerWaalsContact CD2-CG1 3.46Å; Y808-V812 HydrophobicContact CD2-CG2 4.07Å; Y808-V812 HydrophobicContact CE2-CG1 4.21Å; Y808-V812 HydrophobicContact CE2-CG2 4.19Å; Y808-V812 HydrophobicContact CG-CG1 3.81Å
809	T	96.8	Very high	93.6	Very high	23 Å²	23	11.5 Å²	11.5	14%	0.141	7%	0.068	C	C	.	.			trans	-111.2	-171.3	-177.3	64.1	0	0	0	0	111	R787 A811	R787-T809 HydrophobicContact CG-CG2 4.05Å; T809-A811 PolarHBondContact O-N 3.09Å; T809-A811 VanDerWaalsContact OG1-CB 3.29Å; T809-A811 WeakPolarHBondContact OG1-CB 3.48Å; T809-A811 PolarHBondContact OG1-N 3.47Å
810	R	96.7	Very high	93.7	Very high	17 Å²	17	11.5 Å²	11.5	6%	0.064	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-11.9	168.8	72.8	-178.4	-174.9	-166.6	-4.9	115.2	V753 V812 D813 G877 E878 D880	V753-R810 HydrophobicContact CG2-CB 4.29Å; R810-V812 PolarHBondContact O-N 2.88Å; R810-D813 PolarHBondContact O-N 3.08Å; R810-G877 PolarHBondContact NH2-O 2.93Å; R810-E878 PolarHBondContact NH2-O 3.45Å; R810-D880 WeakPolarHBondContact CD-OD1 3.4Å; R810-D880 IonicContact CZ-OD1 2.97Å; R810-D880 IonicContact NE-OD1 3.99Å; R810-D880 PolarHBondContact NE-OD1 3.3Å; R810-D880 IonicContact NH1-OD1 2.65Å; R810-D880 IonicContact NH2-OD1 2.93Å
811	A	97.9	Very high	93.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.6	-18.8	177	0	0	0	0	0	114.7	T809 D813 W814 W815 P870 R873 S876	T809-A811 PolarHBondContact O-N 3.09Å; T809-A811 VanDerWaalsContact OG1-CB 3.29Å; T809-A811 WeakPolarHBondContact OG1-CB 3.48Å; T809-A811 PolarHBondContact OG1-N 3.47Å; A811-D813 VanDerWaalsContact C-N 3.34Å; A811-W814 PolarHBondContact O-N 2.82Å; A811-W815 PolarHBondContact O-N 3.34Å; A811-P870 HydrophobicContact CB-CB 3.75Å; A811-R873 PolarHBondContact O-NH1 3.36Å; A811-S876 WeakPolarHBondContact CB-OG 3.45Å
812	V	97.7	Very high	93.9	Very high	12 Å²	12	11.8 Å²	11.8	7%	0.073	7%	0.069	C	C	.	.	H	α-helix	trans	-66.9	-32.3	177.9	-58.8	0	0	0	0	112.9	V753 R755 A799 E801 V802 Y808 R810 W815 G816	V753-V812 HydrophobicContact CG2-CG2 3.92Å; R755-V812 HydrophobicContact CG-CG2 4.12Å; A799-V812 HydrophobicContact CB-CB 4.15Å; A799-V812 HydrophobicContact CB-CG1 3.95Å; E801-V812 HydrophobicContact CG-CG1 4.37Å; V802-V812 HydrophobicContact CG2-CG1 3.73Å; Y808-V812 HydrophobicContact CD2-CB 4.42Å; Y808-V812 HydrophobicContact CD2-CG1 3.46Å; Y808-V812 VanDerWaalsContact CD2-CG1 3.46Å; Y808-V812 HydrophobicContact CD2-CG2 4.07Å; Y808-V812 HydrophobicContact CE2-CG1 4.21Å; Y808-V812 HydrophobicContact CE2-CG2 4.19Å; Y808-V812 HydrophobicContact CG-CG1 3.81Å; R810-V812 PolarHBondContact O-N 2.88Å; V812-W815 WeakPolarHBondContact O-CB 3.49Å; V812-W815 PolarHBondContact O-N 2.77Å; V812-G816 PolarHBondContact O-N 2.99Å
813	D	98.3	Very high	94	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.016	7%	0.067	C	C	.	.	H	α-helix	trans	-72.9	-32.6	178.9	-69.4	-20.2	0	0	0	111.3	L744 H748 V753 Y754 R755 R810 A811 G816 L817	L744-D813 HydrophobicContact CD1-CB 4.37Å; L744-D813 HydrophobicContact CD2-CB 4.13Å; H748-D813 IonicContact NE2-OD2 2.88Å; H748-D813 PolarHBondContact NE2-OD2 3.09Å; V753-D813 WeakPolarHBondContact CG2-OD2 3.02Å; Y754-D813 WeakPolarHBondContact CB-OD2 3.38Å; Y754-D813 PolarHBondContact N-OD2 3.12Å; R755-D813 WeakPolarHBondContact CA-OD1 3.33Å; R755-D813 PolarHBondContact N-OD1 2.86Å; R810-D813 PolarHBondContact O-N 3.08Å; A811-D813 VanDerWaalsContact C-N 3.34Å; D813-G816 PolarHBondContact O-N 3.16Å; D813-L817 PolarHBondContact O-N 3.31Å
814	W	98.6	Very high	94.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-70.4	-30.7	172.4	-61.8	125.8	0	0	0	113	V741 L744 H748 A811 L817 G818 L865 L874 G875 D880 A881 V884	V741-W814 HydrophobicContact CG2-CZ3 4.26Å; L744-W814 HydrophobicContact CB-CH2 4.11Å; L744-W814 HydrophobicContact CB-CZ3 4.46Å; L744-W814 HydrophobicContact CD1-CE3 4.41Å; L744-W814 HydrophobicContact CD1-CZ3 4.07Å; H748-W814 AromaticContact CE1-CE2 3.69Å; H748-W814 AromaticContact CE1-CZ2 3.87Å; H748-W814 AromaticContact CE1-NE1 3.49Å; H748-W814 PolarHBondContact CE1-NE1 3.04Å; H748-W814 AromaticContact ND1-CE2 3.87Å; H748-W814 AromaticContact ND1-CZ2 3.72Å; H748-W814 AromaticContact ND1-NE1 3.68Å; A811-W814 PolarHBondContact O-N 2.82Å; W814-L817 HydrophobicContact CE3-CB 4.44Å; W814-L817 HydrophobicContact CE3-CD2 3.74Å; W814-L817 HydrophobicContact CZ3-CD2 3.72Å; W814-G818 PolarHBondContact O-N 2.63Å; W814-L865 HydrophobicContact CB-CD2 4.17Å; W814-L865 WeakPolarHBondContact O-CD2 3.48Å; W814-L874 WeakPolarHBondContact CB-O 3.46Å; W814-G875 PolarHBondContact NE1-O 2.82Å; W814-D880 VanDerWaalsContact CZ2-OD2 3.31Å; W814-D880 WeakPolarHBondContact CZ2-OD2 3.42Å; W814-D880 PolarHBondContact NE1-OD1 3.45Å; W814-A881 HydrophobicContact CH2-CB 3.68Å; W814-A881 HydrophobicContact CZ2-CB 3.79Å; W814-V884 HydrophobicContact CD2-CG2 4.11Å; W814-V884 HydrophobicContact CE3-CG2 3.8Å; W814-V884 HydrophobicContact CH2-CG2 4.15Å; W814-V884 HydrophobicContact CZ2-CG2 4.4Å; W814-V884 HydrophobicContact CZ3-CB 4.36Å; W814-V884 HydrophobicContact CZ3-CG1 4.26Å; W814-V884 HydrophobicContact CZ3-CG2 3.83Å
815	W	98.4	Very high	94.4	Very high	1 Å²	1	11.4 Å²	11.4	0%	0.004	7%	0.066	C	C	.	.	H	α-helix	trans	-65.1	-48.1	166.5	174.6	-86.9	0	0	0	110.9	L798 A799 P800 A811 V812 L817 G818 V819 F831 I843 L866 R868	L798-W815 PolarHBondContact O-NE1 3.38Å; A799-W815 VanDerWaalsContact CA-CD1 3.48Å; A799-W815 HydrophobicContact CB-CB 3.75Å; A799-W815 HydrophobicContact CB-CD2 4.18Å; A799-W815 HydrophobicContact CB-CG 3.61Å; P800-W815 HydrophobicContact CG-CE3 4.33Å; P800-W815 HydrophobicContact CG-CH2 3.48Å; P800-W815 VanDerWaalsContact CG-CH2 3.48Å; P800-W815 HydrophobicContact CG-CZ2 3.84Å; P800-W815 HydrophobicContact CG-CZ3 3.76Å; A811-W815 PolarHBondContact O-N 3.34Å; V812-W815 WeakPolarHBondContact O-CB 3.49Å; V812-W815 PolarHBondContact O-N 2.77Å; W815-L817 VanDerWaalsContact C-N 3.26Å; W815-L817 PolarHBondContact O-N 2.89Å; W815-G818 WeakPolarHBondContact O-CA 3.34Å; W815-G818 PolarHBondContact O-N 2.77Å; W815-V819 PolarHBondContact O-N 2.78Å; W815-F831 HydrophobicContact CH2-CE1 4.46Å; W815-F831 AromaticContact CH2-CE2 3.84Å; W815-F831 HydrophobicContact CH2-CE2 3.84Å; W815-F831 AromaticContact CH2-CZ 3.49Å; W815-F831 HydrophobicContact CH2-CZ 3.49Å; W815-F831 VanDerWaalsContact CH2-CZ 3.49Å; W815-F831 HydrophobicContact CZ2-CD2 4.22Å; W815-F831 AromaticContact CZ2-CE2 3.26Å; W815-F831 HydrophobicContact CZ2-CE2 3.26Å; W815-F831 AromaticContact CZ2-CZ 3.44Å; W815-F831 HydrophobicContact CZ2-CZ 3.44Å; W815-F831 VanDerWaalsContact CZ2-CZ 3.44Å; W815-I843 HydrophobicContact CZ2-CG2 4.08Å; W815-L866 HydrophobicContact CD2-CD2 3.93Å; W815-L866 HydrophobicContact CE3-CD2 4.06Å; W815-L866 HydrophobicContact CG-CD2 4.46Å; W815-L866 HydrophobicContact CH2-CD2 4.4Å; W815-L866 HydrophobicContact CZ2-CD2 4.26Å; W815-L866 VanDerWaalsContact CZ3-C 3.45Å; W815-L866 HydrophobicContact CZ3-CB 4.24Å; W815-L866 HydrophobicContact CZ3-CD2 4.3Å; W815-L866 WeakPolarHBondContact CZ3-O 3.18Å; W815-R868 HydrophobicContact CZ3-CG 4.5Å
816	G	97.6	Very high	94.2	Very high	4 Å²	4	10 Å²	10	4%	0.041	6%	0.059	C	C	.	.	H	α-helix	trans	-55.2	-40	176.3	0	0	0	0	0	112.7	V812 D813 G818 V819 L820	V812-G816 PolarHBondContact O-N 2.99Å; D813-G816 PolarHBondContact O-N 3.16Å; G816-G818 VanDerWaalsContact C-N 3.32Å; G816-G818 PolarHBondContact O-N 3.43Å; G816-V819 PolarHBondContact O-N 3.23Å; G816-L820 WeakPolarHBondContact O-CB 3.43Å; G816-L820 PolarHBondContact O-N 2.98Å
817	L	98.6	Very high	94.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-63	-38.2	173.8	-178.6	65.6	0	0	0	111.9	V740 V741 L757 D813 W814 W815 L820 V821 L865 V884	V740-L817 HydrophobicContact CG1-CD1 3.99Å; V741-L817 HydrophobicContact CG2-CD2 3.57Å; L757-L817 HydrophobicContact CD2-CB 4.13Å; L757-L817 HydrophobicContact CD2-CD1 4.49Å; D813-L817 PolarHBondContact O-N 3.31Å; W814-L817 HydrophobicContact CE3-CB 4.44Å; W814-L817 HydrophobicContact CE3-CD2 3.74Å; W814-L817 HydrophobicContact CZ3-CD2 3.72Å; W815-L817 VanDerWaalsContact C-N 3.26Å; W815-L817 PolarHBondContact O-N 2.89Å; L817-L820 HydrophobicContact CD1-CD2 4.32Å; L817-L820 PolarHBondContact O-N 3.32Å; L817-V821 HydrophobicContact CD1-CG2 4.27Å; L817-V821 HydrophobicContact CG-CG2 4.4Å; L817-V821 WeakPolarHBondContact O-CB 3.43Å; L817-V821 VanDerWaalsContact O-CG2 3.23Å; L817-V821 WeakPolarHBondContact O-CG2 3.47Å; L817-V821 PolarHBondContact O-N 3.27Å; L817-L865 HydrophobicContact CB-CD1 4.34Å; L817-L865 HydrophobicContact CD2-CD1 4.04Å; L817-L865 HydrophobicContact CG-CD1 3.97Å; L817-V884 HydrophobicContact CD2-CG1 4.15Å
818	G	98.3	Very high	94	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.2	-42.4	174.9	0	0	0	0	0	112.7	W814 W815 G816 Y822	W814-G818 PolarHBondContact O-N 2.63Å; W815-G818 WeakPolarHBondContact O-CA 3.34Å; W815-G818 PolarHBondContact O-N 2.77Å; G816-G818 VanDerWaalsContact C-N 3.32Å; G816-G818 PolarHBondContact O-N 3.43Å; G818-Y822 PolarHBondContact O-N 2.79Å
819	V	97.1	Very high	93.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-66.3	-45.7	175.6	179.7	0	0	0	0	110.1	F797 W815 G816 V821 Y822 E823 P830 F831 L866	F797-V819 HydrophobicContact CD1-CB 3.65Å; F797-V819 HydrophobicContact CD1-CG1 3.58Å; F797-V819 HydrophobicContact CD1-CG2 4.44Å; F797-V819 HydrophobicContact CD2-CG1 4.23Å; F797-V819 HydrophobicContact CE1-CB 3.61Å; F797-V819 HydrophobicContact CE1-CG1 3.44Å; F797-V819 VanDerWaalsContact CE1-CG1 3.44Å; F797-V819 HydrophobicContact CE2-CG1 4.08Å; F797-V819 HydrophobicContact CG-CB 4.45Å; F797-V819 HydrophobicContact CG-CG1 4Å; F797-V819 HydrophobicContact CZ-CB 4.35Å; F797-V819 HydrophobicContact CZ-CG1 3.7Å; W815-V819 PolarHBondContact O-N 2.78Å; G816-V819 PolarHBondContact O-N 3.23Å; V819-V821 PolarHBondContact O-N 2.93Å; V819-Y822 WeakPolarHBondContact O-CB 3.27Å; V819-Y822 PolarHBondContact O-N 3Å; V819-Y822 VanDerWaalsContact O-N 3.13Å; V819-E823 HydrophobicContact CG1-CG 4.45Å; V819-E823 PolarHBondContact O-N 3.3Å; V819-P830 HydrophobicContact CB-CG 4.32Å; V819-P830 HydrophobicContact CG1-CG 3.92Å; V819-P830 HydrophobicContact CG2-CG 4.16Å; V819-F831 HydrophobicContact CG2-CE2 4.44Å; V819-L866 HydrophobicContact CG2-CD2 3.7Å
820	L	96.7	Very high	93.1	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-59.7	-44.7	179.2	-175.4	75.3	0	0	0	112.7	V740 L757 L759 L762 F797 G816 L817 Y822 E823 M824	V740-L820 HydrophobicContact CG1-CD2 4.31Å; V740-L820 HydrophobicContact CG2-CD2 4.23Å; L757-L820 HydrophobicContact CD2-CB 4.35Å; L757-L820 HydrophobicContact CD2-CD2 3.95Å; L757-L820 HydrophobicContact CG-CD2 4.18Å; L759-L820 HydrophobicContact CD2-CD1 3.71Å; L759-L820 HydrophobicContact CG-CD1 3.93Å; L762-L820 HydrophobicContact CD1-CD1 3.77Å; L762-L820 HydrophobicContact CD1-CD2 3.53Å; L762-L820 HydrophobicContact CD1-CG 4.27Å; F797-L820 HydrophobicContact CE1-CB 4.11Å; G816-L820 WeakPolarHBondContact O-CB 3.43Å; G816-L820 PolarHBondContact O-N 2.98Å; L817-L820 HydrophobicContact CD1-CD2 4.32Å; L817-L820 PolarHBondContact O-N 3.32Å; L820-Y822 VanDerWaalsContact C-N 3.3Å; L820-Y822 PolarHBondContact O-N 3.29Å; L820-E823 PolarHBondContact O-N 2.9Å; L820-M824 HydrophobicContact CD2-CE 4.34Å; L820-M824 HydrophobicContact CG-CE 4.09Å; L820-M824 WeakPolarHBondContact O-CG 3.26Å; L820-M824 PolarHBondContact O-N 3.29Å
821	V	97.4	Very high	92.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62	-40.5	176.3	171.5	0	0	0	0	110.6	S737 L817 V819 L825 M862 F889	S737-V821 WeakPolarHBondContact OG-CG2 3.16Å; L817-V821 HydrophobicContact CD1-CG2 4.27Å; L817-V821 HydrophobicContact CG-CG2 4.4Å; L817-V821 WeakPolarHBondContact O-CB 3.43Å; L817-V821 VanDerWaalsContact O-CG2 3.23Å; L817-V821 WeakPolarHBondContact O-CG2 3.47Å; L817-V821 PolarHBondContact O-N 3.27Å; V819-V821 PolarHBondContact O-N 2.93Å; V821-L825 HydrophobicContact CG1-CD1 3.78Å; V821-L825 WeakPolarHBondContact O-CB 3.36Å; V821-L825 VanDerWaalsContact O-CG 3.29Å; V821-L825 WeakPolarHBondContact O-CG 3.44Å; V821-L825 PolarHBondContact O-N 2.9Å; V821-M862 HydrophobicContact CB-CG 4.2Å; V821-M862 HydrophobicContact CG1-CG 3.7Å; V821-M862 HydrophobicContact CG1-SD 3.98Å; V821-F889 HydrophobicContact CG1-CE1 4.31Å; V821-F889 HydrophobicContact CG1-CZ 3.95Å
822	Y	94.9	Very high	91.8	Very high	14 Å²	14	13.1 Å²	13.1	6%	0.055	8%	0.078	C	C	.	.	H	α-helix	trans	-64.3	-50.2	176.3	-172.9	-80.3	0	0	0	111.5	G818 V819 L820 M824 L825 V826 E828 P830 V848 R849 Y850 M862	G818-Y822 PolarHBondContact O-N 2.79Å; V819-Y822 WeakPolarHBondContact O-CB 3.27Å; V819-Y822 PolarHBondContact O-N 3Å; V819-Y822 VanDerWaalsContact O-N 3.13Å; L820-Y822 VanDerWaalsContact C-N 3.3Å; L820-Y822 PolarHBondContact O-N 3.29Å; Y822-M824 VanDerWaalsContact C-N 3.32Å; Y822-M824 PolarHBondContact O-N 2.93Å; Y822-L825 PolarHBondContact O-N 3.06Å; Y822-V826 HydrophobicContact CD1-CB 4.06Å; Y822-V826 HydrophobicContact CD1-CG2 4.16Å; Y822-V826 HydrophobicContact CD2-CG2 4.16Å; Y822-V826 HydrophobicContact CE1-CB 3.74Å; Y822-V826 HydrophobicContact CE1-CG1 3.83Å; Y822-V826 HydrophobicContact CE1-CG2 3.94Å; Y822-V826 HydrophobicContact CE2-CG2 3.95Å; Y822-V826 HydrophobicContact CG-CG2 4.27Å; Y822-V826 WeakPolarHBondContact O-CB 3.31Å; Y822-V826 PolarHBondContact O-N 2.94Å; Y822-E828 WeakPolarHBondContact CD1-O 3.42Å; Y822-E828 VanDerWaalsContact CE1-O 3.27Å; Y822-E828 WeakPolarHBondContact CE1-O 3.49Å; Y822-P830 HydrophobicContact CD1-CB 3.71Å; Y822-P830 HydrophobicContact CD1-CG 4.04Å; Y822-P830 HydrophobicContact CD2-CB 4.01Å; Y822-P830 HydrophobicContact CE1-CB 3.94Å; Y822-P830 HydrophobicContact CE2-CB 4.22Å; Y822-P830 HydrophobicContact CG-CB 3.74Å; Y822-P830 HydrophobicContact CG-CG 4.14Å; Y822-V848 HydrophobicContact CD2-CG1 3.93Å; Y822-V848 HydrophobicContact CE2-CG1 3.72Å; Y822-R849 VanDerWaalsContact CE2-O 3.3Å; Y822-R849 WeakPolarHBondContact CE2-O 3.16Å; Y822-R849 PolarHBondContact OH-O 2.68Å; Y822-R849 VanDerWaalsContact OH-O 3.05Å; Y822-Y850 HydrophobicContact CD2-CD1 4.48Å; Y822-Y850 HydrophobicContact CD2-CE1 4.29Å; Y822-Y850 HydrophobicContact CE2-CD1 4.39Å; Y822-M862 VanDerWaalsContact CA-SD 3.51Å; Y822-M862 HydrophobicContact CD2-SD 3.77Å; Y822-M862 HydrophobicContact CG-SD 4.14Å
823	E	92.1	Very high	90.6	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-56.1	-45.3	177.5	-74.8	-168.2	169.5	0	0	111.7	L487 Q490 I723 L759 F797 V819 L820 L825 G827	L487-E823 HydrophobicContact CD1-CB 3.86Å; L487-E823 HydrophobicContact CD1-CG 4.04Å; L487-E823 HydrophobicContact CD2-CG 3.89Å; L487-E823 WeakPolarHBondContact CD2-OE1 3.33Å; Q490-E823 PolarHBondContact NE2-OE1 3.19Å; I723-E823 WeakPolarHBondContact CD1-O 3.4Å; L759-E823 HydrophobicContact CD1-CB 4.14Å; L759-E823 WeakPolarHBondContact CD1-OE2 3.48Å; F797-E823 WeakPolarHBondContact CE2-OE1 3.39Å; F797-E823 VanDerWaalsContact CZ-CD 3.45Å; F797-E823 HydrophobicContact CZ-CG 4.4Å; F797-E823 VanDerWaalsContact CZ-OE2 3.26Å; F797-E823 WeakPolarHBondContact CZ-OE2 3.42Å; V819-E823 HydrophobicContact CG1-CG 4.45Å; V819-E823 PolarHBondContact O-N 3.3Å; L820-E823 PolarHBondContact O-N 2.9Å; E823-L825 PolarHBondContact O-N 3.34Å; E823-G827 VanDerWaalsContact O-CA 3.29Å; E823-G827 WeakPolarHBondContact O-CA 3.26Å; E823-G827 PolarHBondContact O-N 2.85Å
824	M	92.4	Very high	89.2	Confident	1 Å²	1	18.9 Å²	18.9	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-61.3	-39.8	178.6	-74.8	-169.2	-63.4	0	0	113.4	F728 A733 Y736 S737 L759 L820 Y822	F728-M824 HydrophobicContact CB-CB 4.43Å; F728-M824 WeakPolarHBondContact CB-O 3.47Å; F728-M824 HydrophobicContact CD2-CB 3.89Å; F728-M824 HydrophobicContact CD2-CG 3.63Å; F728-M824 HydrophobicContact CD2-SD 3.8Å; F728-M824 HydrophobicContact CE2-CG 3.97Å; F728-M824 HydrophobicContact CE2-SD 4.08Å; F728-M824 PolarHBondContact N-O 2.93Å; A733-M824 HydrophobicContact CB-CB 4.03Å; A733-M824 HydrophobicContact CB-CE 4.35Å; Y736-M824 HydrophobicContact CD2-SD 4.23Å; S737-M824 WeakPolarHBondContact OG-CE 3.23Å; L759-M824 HydrophobicContact CD2-CG 3.86Å; L820-M824 HydrophobicContact CD2-CE 4.34Å; L820-M824 HydrophobicContact CG-CE 4.09Å; L820-M824 WeakPolarHBondContact O-CG 3.26Å; L820-M824 PolarHBondContact O-N 3.29Å; Y822-M824 VanDerWaalsContact C-N 3.32Å; Y822-M824 PolarHBondContact O-N 2.93Å
825	L	85.4	Confident	88	Confident	8 Å²	8	22.4 Å²	22.4	4%	0.042	14%	0.135	C	C	.	.	H	α-helix	trans	-86.8	-27.6	-175.6	-67	172.4	0	0	0	113.9	E730 A733 V821 Y822 E823 L854 A858 M862 F889	E730-L825 HydrophobicContact CB-CD2 4.06Å; E730-L825 HydrophobicContact CG-CD2 4.24Å; A733-L825 HydrophobicContact CB-CD2 3.55Å; A733-L825 HydrophobicContact CB-CG 4Å; V821-L825 HydrophobicContact CG1-CD1 3.78Å; V821-L825 WeakPolarHBondContact O-CB 3.36Å; V821-L825 VanDerWaalsContact O-CG 3.29Å; V821-L825 WeakPolarHBondContact O-CG 3.44Å; V821-L825 PolarHBondContact O-N 2.9Å; Y822-L825 PolarHBondContact O-N 3.06Å; E823-L825 PolarHBondContact O-N 3.34Å; L825-L854 HydrophobicContact CB-CD2 3.75Å; L825-L854 HydrophobicContact CD1-CD2 4.15Å; L825-L854 HydrophobicContact CG-CD2 4.48Å; L825-A858 HydrophobicContact CD1-CB 3.83Å; L825-M862 HydrophobicContact CD1-CE 3.94Å; L825-F889 HydrophobicContact CD1-CE2 4.34Å; L825-F889 HydrophobicContact CD1-CZ 4.49Å
826	V	82.3	Confident	86.8	Confident	17 Å²	17	26.1 Å²	26.1	10%	0.103	15%	0.152	C	C	.	.	H	α-helix	trans	-111.9	-26.2	-171.8	-175.5	0	0	0	0	112.6	Y822 E828 P851 F853 L854	Y822-V826 HydrophobicContact CD1-CB 4.06Å; Y822-V826 HydrophobicContact CD1-CG2 4.16Å; Y822-V826 HydrophobicContact CD2-CG2 4.16Å; Y822-V826 HydrophobicContact CE1-CB 3.74Å; Y822-V826 HydrophobicContact CE1-CG1 3.83Å; Y822-V826 HydrophobicContact CE1-CG2 3.94Å; Y822-V826 HydrophobicContact CE2-CG2 3.95Å; Y822-V826 HydrophobicContact CG-CG2 4.27Å; Y822-V826 WeakPolarHBondContact O-CB 3.31Å; Y822-V826 PolarHBondContact O-N 2.94Å; V826-E828 VanDerWaalsContact C-N 3.29Å; V826-E828 HydrophobicContact CG1-CB 4.39Å; V826-P851 HydrophobicContact CG1-CG 4.12Å; V826-P851 HydrophobicContact CG2-CG 4.34Å; V826-F853 HydrophobicContact CG2-CZ 4.44Å; V826-L854 HydrophobicContact CG2-CD1 4.22Å; V826-L854 HydrophobicContact CG2-CD2 4.22Å
827	G	80.9	Confident	85.8	Confident	15 Å²	15	27.1 Å²	27.1	16%	0.155	16%	0.156	C	C	.	.	S	Bend	trans	76.1	13.4	-178.5	0	0	0	0	0	114.9	L487 E823	L487-G827 WeakPolarHBondContact CG-O 3.27Å; E823-G827 VanDerWaalsContact O-CA 3.29Å; E823-G827 WeakPolarHBondContact O-CA 3.26Å; E823-G827 PolarHBondContact O-N 2.85Å
828	E	81.4	Confident	84.8	Confident	91 Å²	91	31.8 Å²	31.8	43%	0.425	18%	0.178	S	C	.	.	S	Bend	trans	-142.1	158.6	-178.2	-60.6	-175.3	171.9	0	0	109.2	Y822 V826	Y822-E828 WeakPolarHBondContact CD1-O 3.42Å; Y822-E828 VanDerWaalsContact CE1-O 3.27Å; Y822-E828 WeakPolarHBondContact CE1-O 3.49Å; V826-E828 VanDerWaalsContact C-N 3.29Å; V826-E828 HydrophobicContact CG1-CB 4.39Å
829	S	86.4	Confident	84.1	Confident	16 Å²	16	32.3 Å²	32.3	11%	0.112	18%	0.181	C	C	.	.			trans	-69.1	142.9	172.6	167.7	0	0	0	0	111.1	F831	S829-F831 PolarHBondContact O-N 3.23Å; S829-F831 PolarHBondContact OG-N 3.06Å; S829-F831 VanDerWaalsContact OG-N 3.1Å; S829-F831 PolarHBondContact OG-O 2.8Å
830	P	87.1	Confident	83.5	Confident	7 Å²	7	32.4 Å²	32.4	5%	0.045	18%	0.181	C	C	.	.	S	Bend	trans	-67	-17.2	172.2	25.4	-30.7	0	0	0	113.8	V819 Y822 V848 L866	V819-P830 HydrophobicContact CB-CG 4.32Å; V819-P830 HydrophobicContact CG1-CG 3.92Å; V819-P830 HydrophobicContact CG2-CG 4.16Å; Y822-P830 HydrophobicContact CD1-CB 3.71Å; Y822-P830 HydrophobicContact CD1-CG 4.04Å; Y822-P830 HydrophobicContact CD2-CB 4.01Å; Y822-P830 HydrophobicContact CE1-CB 3.94Å; Y822-P830 HydrophobicContact CE2-CB 4.22Å; Y822-P830 HydrophobicContact CG-CB 3.74Å; Y822-P830 HydrophobicContact CG-CG 4.14Å; P830-V848 HydrophobicContact CB-CG1 3.74Å; P830-V848 HydrophobicContact CB-CG2 4.21Å; P830-L866 HydrophobicContact CB-CD1 4.38Å; P830-L866 HydrophobicContact CG-CD1 4.5Å
831	F	90.3	Very high	82.7	Confident	1 Å²	1	35 Å²	35	0%	0.004	20%	0.195	C	C	.	.	S	Bend	trans	-127.4	83	-178.8	-54.3	-71.7	0	0	0	109.7	W815 V819 S829 S842 I843 V848 L866	W815-F831 HydrophobicContact CH2-CE1 4.46Å; W815-F831 AromaticContact CH2-CE2 3.84Å; W815-F831 HydrophobicContact CH2-CE2 3.84Å; W815-F831 AromaticContact CH2-CZ 3.49Å; W815-F831 HydrophobicContact CH2-CZ 3.49Å; W815-F831 VanDerWaalsContact CH2-CZ 3.49Å; W815-F831 HydrophobicContact CZ2-CD2 4.22Å; W815-F831 AromaticContact CZ2-CE2 3.26Å; W815-F831 HydrophobicContact CZ2-CE2 3.26Å; W815-F831 AromaticContact CZ2-CZ 3.44Å; W815-F831 HydrophobicContact CZ2-CZ 3.44Å; W815-F831 VanDerWaalsContact CZ2-CZ 3.44Å; V819-F831 HydrophobicContact CG2-CE2 4.44Å; S829-F831 PolarHBondContact O-N 3.23Å; S829-F831 PolarHBondContact OG-N 3.06Å; S829-F831 VanDerWaalsContact OG-N 3.1Å; S829-F831 PolarHBondContact OG-O 2.8Å; F831-S842 WeakPolarHBondContact CD1-O 3.07Å; F831-I843 HydrophobicContact CB-CG1 3.68Å; F831-I843 HydrophobicContact CD1-CG1 4.35Å; F831-I843 HydrophobicContact CD2-CG1 3.72Å; F831-I843 HydrophobicContact CE2-CG1 4.49Å; F831-I843 HydrophobicContact CG-CB 4.38Å; F831-I843 HydrophobicContact CG-CG1 3.65Å; F831-V848 HydrophobicContact CD1-CG2 4.49Å; F831-V848 HydrophobicContact CE1-CG2 3.52Å; F831-V848 HydrophobicContact CE2-CG2 4.24Å; F831-V848 HydrophobicContact CZ-CG2 3.35Å; F831-L866 HydrophobicContact CE2-CD2 4.42Å
832	P	76.8	Confident	82.1	Confident	84 Å²	84	35.1 Å²	35.1	55%	0.545	20%	0.196	S	C	.	.			trans	-81.6	142.7	-176	32.6	-34.8	0	0	0	112.4
833	G	72.4	Confident	81.7	Confident	32 Å²	32	34.5 Å²	34.5	33%	0.33	19%	0.193	S	C	.	.			trans	-153.1	153	168.1	0	0	0	0	0	110.4	D835 E838	G833-D835 VanDerWaalsContact C-N 3.28Å; G833-E838 WeakPolarHBondContact CA-OE2 3.27Å
834	D	68.3	Low	81.5	Confident	104 Å²	104	35.7 Å²	35.7	56%	0.556	20%	0.201	S	C	*	.	S	Bend	trans	-77	-17.1	174.1	-84.4	-51	0	0	0	111.5	R425 E838	R425-D834 IonicContact CZ-OD1 3.61Å; R425-D834 IonicContact NH1-OD1 2.78Å; R425-D834 IonicContact NH1-OD2 2.76Å; R425-D834 IonicContact NH2-OD1 3.58Å; R425-D834 PolarHBondContact NH2-OD1 3Å; R425-D834 IonicContact NH2-OD2 3Å; R425-D834 PolarHBondContact NH2-OD2 3.29Å; D834-E838 PolarHBondContact N-OE2 3.03Å
835	D	73	Confident	81.1	Confident	75 Å²	75	39.5 Å²	39.5	40%	0.401	22%	0.221	S	C	.	.	S	Bend	trans	-141.1	176.6	168.2	74.6	26.7	0	0	0	114.2	G833 E837 E838 V839	G833-D835 VanDerWaalsContact C-N 3.28Å; D835-E837 VanDerWaalsContact C-N 3.26Å; D835-E837 PolarHBondContact O-N 3.05Å; D835-E837 WeakPolarHBondContact OD1-CA 3.46Å; D835-E837 WeakPolarHBondContact OD1-CB 3.47Å; D835-E837 PolarHBondContact OD1-N 3.05Å; D835-E838 PolarHBondContact O-N 3.02Å; D835-E838 PolarHBondContact OD1-N 3.46Å; D835-V839 WeakPolarHBondContact O-CG2 3.37Å; D835-V839 PolarHBondContact O-N 2.73Å; D835-V839 VanDerWaalsContact O-N 3.07Å
836	E	73.9	Confident	80.9	Confident	79 Å²	79	42.6 Å²	42.6	37%	0.369	24%	0.238	S	C	.	.	H	α-helix	trans	-62.3	-29.3	-179.5	-68.7	174.1	-146.5	0	0	113.5	V493 F840	V493-E836 WeakPolarHBondContact CG2-OE1 3.36Å; E836-F840 HydrophobicContact CB-CD2 4.46Å; E836-F840 HydrophobicContact CB-CE2 4.04Å; E836-F840 WeakPolarHBondContact O-CB 3.42Å; E836-F840 WeakPolarHBondContact O-CD2 3.49Å; E836-F840 WeakPolarHBondContact O-CG 3.09Å; E836-F840 PolarHBondContact O-N 3.44Å
837	E	75.8	Confident	80.9	Confident	25 Å²	25	46.4 Å²	46.4	12%	0.117	25%	0.254	C	S	.	.	H	α-helix	trans	-68.8	-46.9	-179.4	-166	-177.1	128.4	0	0	110.1	A513 V516 R517 D835 F840 D841	A513-E837 HydrophobicContact CB-CG 3.98Å; A513-E837 VanDerWaalsContact CB-OE1 3.31Å; A513-E837 WeakPolarHBondContact CB-OE1 3.35Å; V516-E837 HydrophobicContact CB-CB 4.45Å; V516-E837 HydrophobicContact CB-CG 4.08Å; V516-E837 HydrophobicContact CG1-CB 3.99Å; V516-E837 HydrophobicContact CG1-CG 4.14Å; R517-E837 WeakPolarHBondContact CG-OE2 3.4Å; R517-E837 IonicContact CZ-OE1 3.51Å; R517-E837 IonicContact CZ-OE2 3.14Å; R517-E837 VanDerWaalsContact NE-CD 3.26Å; R517-E837 IonicContact NE-OE1 3.55Å; R517-E837 PolarHBondContact NE-OE1 2.88Å; R517-E837 IonicContact NE-OE2 3.36Å; R517-E837 PolarHBondContact NE-OE2 2.79Å; R517-E837 IonicContact NH2-OE1 3.71Å; R517-E837 PolarHBondContact NH2-OE1 2.73Å; R517-E837 IonicContact NH2-OE2 3.13Å; D835-E837 VanDerWaalsContact C-N 3.26Å; D835-E837 PolarHBondContact O-N 3.05Å; D835-E837 WeakPolarHBondContact OD1-CA 3.46Å; D835-E837 WeakPolarHBondContact OD1-CB 3.47Å; D835-E837 PolarHBondContact OD1-N 3.05Å; E837-F840 PolarHBondContact O-N 2.79Å; E837-D841 PolarHBondContact O-N 3.24Å
838	E	78.4	Confident	81	Confident	98 Å²	98	46.7 Å²	46.7	46%	0.458	25%	0.253	S	S	.	.	H	α-helix	trans	-63.9	-42.2	173.7	-66.9	-174.4	174.9	0	0	112.4	G833 D834 D835 F840 D841 S842	G833-E838 WeakPolarHBondContact CA-OE2 3.27Å; D834-E838 PolarHBondContact N-OE2 3.03Å; D835-E838 PolarHBondContact O-N 3.02Å; D835-E838 PolarHBondContact OD1-N 3.46Å; E838-F840 PolarHBondContact O-N 3.02Å; E838-D841 PolarHBondContact O-N 2.98Å; E838-S842 VanDerWaalsContact O-CB 3.31Å; E838-S842 WeakPolarHBondContact O-CB 3.28Å; E838-S842 PolarHBondContact O-N 3.03Å
839	V	82.6	Confident	80.8	Confident	11 Å²	11	49.2 Å²	49.2	7%	0.067	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-45	176.9	169.5	0	0	0	0	111.1	E796 D835 S842 I843	E796-V839 HydrophobicContact CG-CG1 4.09Å; D835-V839 WeakPolarHBondContact O-CG2 3.37Å; D835-V839 PolarHBondContact O-N 2.73Å; D835-V839 VanDerWaalsContact O-N 3.07Å; V839-S842 PolarHBondContact O-N 2.84Å; V839-I843 HydrophobicContact CG1-CD1 3.88Å; V839-I843 VanDerWaalsContact O-CG1 3.29Å; V839-I843 WeakPolarHBondContact O-CG1 3.2Å; V839-I843 PolarHBondContact O-N 3.22Å
840	F	84.5	Confident	80.4	Confident	1 Å²	1	50.7 Å²	50.7	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-67.7	-36.8	178.5	-65.8	-36.5	0	0	0	113	F494 I512 V516 P795 L798 L803 E836 E837 E838 I843 V844	F494-F840 HydrophobicContact CE2-CE2 4.41Å; F494-F840 AromaticContact CE2-CZ 3.96Å; F494-F840 HydrophobicContact CE2-CZ 3.96Å; I512-F840 HydrophobicContact CG2-CB 3.93Å; V516-F840 HydrophobicContact CG1-CD2 4.43Å; V516-F840 HydrophobicContact CG2-CB 4.44Å; V516-F840 HydrophobicContact CG2-CD2 3.59Å; V516-F840 HydrophobicContact CG2-CE2 4.36Å; V516-F840 HydrophobicContact CG2-CG 4.47Å; P795-F840 HydrophobicContact CB-CE1 3.7Å; P795-F840 HydrophobicContact CB-CZ 3.79Å; P795-F840 HydrophobicContact CG-CZ 4.26Å; L798-F840 HydrophobicContact CD1-CE1 3.87Å; L798-F840 HydrophobicContact CD1-CZ 4.37Å; L803-F840 HydrophobicContact CD1-CB 4.15Å; L803-F840 HydrophobicContact CD1-CD1 3.84Å; L803-F840 HydrophobicContact CD1-CG 4.32Å; L803-F840 HydrophobicContact CD2-CD1 3.61Å; L803-F840 HydrophobicContact CD2-CE1 3.88Å; L803-F840 HydrophobicContact CD2-CG 4.16Å; L803-F840 HydrophobicContact CG-CD1 4.4Å; E836-F840 HydrophobicContact CB-CD2 4.46Å; E836-F840 HydrophobicContact CB-CE2 4.04Å; E836-F840 WeakPolarHBondContact O-CB 3.42Å; E836-F840 WeakPolarHBondContact O-CD2 3.49Å; E836-F840 WeakPolarHBondContact O-CG 3.09Å; E836-F840 PolarHBondContact O-N 3.44Å; E837-F840 PolarHBondContact O-N 2.79Å; E838-F840 PolarHBondContact O-N 3.02Å; F840-I843 HydrophobicContact CD1-CD1 4.36Å; F840-V844 WeakPolarHBondContact O-CG2 3.37Å; F840-V844 PolarHBondContact O-N 2.88Å
841	D	81.2	Confident	79.6	Confident	57 Å²	57	52 Å²	52	31%	0.305	27%	0.271	S	S	.	.	H	α-helix	trans	-66.1	-44.3	174.8	-158.7	82	0	0	0	110.9	I512 E837 E838 I843 V844 N845	I512-D841 HydrophobicContact CG2-CB 4.03Å; E837-D841 PolarHBondContact O-N 3.24Å; E838-D841 PolarHBondContact O-N 2.98Å; D841-I843 PolarHBondContact O-N 3.42Å; D841-V844 PolarHBondContact O-N 3.08Å; D841-V844 VanDerWaalsContact O-N 3.13Å; D841-N845 WeakPolarHBondContact O-CB 3.43Å; D841-N845 PolarHBondContact O-N 3.1Å; D841-N845 PolarHBondContact O-ND2 3.16Å; D841-N845 PolarHBondContact OD1-ND2 3.37Å; D841-N845 PolarHBondContact OD2-ND2 3.45Å
842	S	83.8	Confident	78.2	Confident	2 Å²	2	61 Å²	61	1%	0.014	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-45.2	176.9	-163.5	0	0	0	0	112.2	F831 E838 V839 V844 N845 D846 R868	F831-S842 WeakPolarHBondContact CD1-O 3.07Å; E838-S842 VanDerWaalsContact O-CB 3.31Å; E838-S842 WeakPolarHBondContact O-CB 3.28Å; E838-S842 PolarHBondContact O-N 3.03Å; V839-S842 PolarHBondContact O-N 2.84Å; S842-V844 VanDerWaalsContact C-N 3.32Å; S842-V844 PolarHBondContact O-N 3.07Å; S842-N845 PolarHBondContact O-N 3.02Å; S842-D846 WeakPolarHBondContact CB-OD2 3.27Å; S842-D846 WeakPolarHBondContact O-CB 3.48Å; S842-D846 PolarHBondContact O-N 3.33Å; S842-D846 WeakPolarHBondContact OG-CB 3.3Å; S842-D846 PolarHBondContact OG-OD2 2.97Å; S842-R868 PolarHBondContact O-NH2 3.44Å
843	I	87.7	Confident	77.9	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-55.1	-46.1	174.1	-72.5	165.1	0	0	0	111.5	P795 P800 L803 W815 F831 V839 F840 D841 R868	P795-I843 WeakPolarHBondContact O-CD1 3.4Å; P800-I843 HydrophobicContact CB-CG2 4.42Å; P800-I843 HydrophobicContact CG-CG2 3.89Å; L803-I843 HydrophobicContact CD1-CB 4.03Å; L803-I843 HydrophobicContact CD1-CD1 4.39Å; L803-I843 HydrophobicContact CD1-CG2 3.64Å; W815-I843 HydrophobicContact CZ2-CG2 4.08Å; F831-I843 HydrophobicContact CB-CG1 3.68Å; F831-I843 HydrophobicContact CD1-CG1 4.35Å; F831-I843 HydrophobicContact CD2-CG1 3.72Å; F831-I843 HydrophobicContact CE2-CG1 4.49Å; F831-I843 HydrophobicContact CG-CB 4.38Å; F831-I843 HydrophobicContact CG-CG1 3.65Å; V839-I843 HydrophobicContact CG1-CD1 3.88Å; V839-I843 VanDerWaalsContact O-CG1 3.29Å; V839-I843 WeakPolarHBondContact O-CG1 3.2Å; V839-I843 PolarHBondContact O-N 3.22Å; F840-I843 HydrophobicContact CD1-CD1 4.36Å; D841-I843 PolarHBondContact O-N 3.42Å; I843-R868 PolarHBondContact O-NE 3Å; I843-R868 PolarHBondContact O-NH2 2.91Å
844	V	87.6	Confident	77.8	Confident	26 Å²	26	62.8 Å²	62.8	16%	0.158	30%	0.296	C	S	.	.	H	α-helix	trans	-78.3	-33.2	-175.4	179.2	0	0	0	0	112.7	I512 L803 T804 F840 D841 S842 R868	I512-V844 HydrophobicContact CD1-CG1 4.42Å; I512-V844 HydrophobicContact CD1-CG2 4.33Å; I512-V844 HydrophobicContact CG1-CG2 4.25Å; L803-V844 HydrophobicContact CB-CG2 4.17Å; L803-V844 HydrophobicContact CD1-CG2 3.8Å; T804-V844 HydrophobicContact CG2-CG1 3.81Å; T804-V844 HydrophobicContact CG2-CG2 3.83Å; F840-V844 WeakPolarHBondContact O-CG2 3.37Å; F840-V844 PolarHBondContact O-N 2.88Å; D841-V844 PolarHBondContact O-N 3.08Å; D841-V844 VanDerWaalsContact O-N 3.13Å; S842-V844 VanDerWaalsContact C-N 3.32Å; S842-V844 PolarHBondContact O-N 3.07Å; V844-R868 WeakPolarHBondContact O-CD 3.29Å; V844-R868 PolarHBondContact O-NE 3.13Å
845	N	82.6	Confident	78.2	Confident	80 Å²	80	59.1 Å²	59.1	43%	0.428	28%	0.278	S	S	.	.	H	α-helix	trans	-114.9	-48	-168.2	-60.2	-37.3	0	0	0	114.5	D841 S842 R868	D841-N845 WeakPolarHBondContact O-CB 3.43Å; D841-N845 PolarHBondContact O-N 3.1Å; D841-N845 PolarHBondContact O-ND2 3.16Å; D841-N845 PolarHBondContact OD1-ND2 3.37Å; D841-N845 PolarHBondContact OD2-ND2 3.45Å; S842-N845 PolarHBondContact O-N 3.02Å; N845-R868 PolarHBondContact O-NH1 3.41Å; N845-R868 VanDerWaalsContact O-NH1 3.11Å; N845-R868 PolarHBondContact O-NH2 3.23Å
846	D	82	Confident	78.9	Confident	74 Å²	74	61.1 Å²	61.1	40%	0.396	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-75.9	128.4	-169.4	-76.4	-26	0	0	0	114.9	S842 V848 R868	S842-D846 WeakPolarHBondContact CB-OD2 3.27Å; S842-D846 WeakPolarHBondContact O-CB 3.48Å; S842-D846 PolarHBondContact O-N 3.33Å; S842-D846 WeakPolarHBondContact OG-CB 3.3Å; S842-D846 PolarHBondContact OG-OD2 2.97Å; D846-V848 PolarHBondContact O-N 2.93Å; D846-R868 VanDerWaalsContact N-NH2 3.12Å; D846-R868 PolarHBondContact O-NH2 2.96Å
847	E	81.4	Confident	79.7	Confident	96 Å²	96	60 Å²	60	45%	0.449	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-68.7	133.8	171.6	-66.3	-167	161	0	0	112.3	R849	E847-R849 PolarHBondContact O-N 3.49Å
848	V	82.9	Confident	80.3	Confident	21 Å²	21	58.8 Å²	58.8	13%	0.127	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-58.4	125.1	176.9	-177.2	0	0	0	0	110.3	Y822 P830 F831 D846 Y850 L866	Y822-V848 HydrophobicContact CD2-CG1 3.93Å; Y822-V848 HydrophobicContact CE2-CG1 3.72Å; P830-V848 HydrophobicContact CB-CG1 3.74Å; P830-V848 HydrophobicContact CB-CG2 4.21Å; F831-V848 HydrophobicContact CD1-CG2 4.49Å; F831-V848 HydrophobicContact CE1-CG2 3.52Å; F831-V848 HydrophobicContact CE2-CG2 4.24Å; F831-V848 HydrophobicContact CZ-CG2 3.35Å; D846-V848 PolarHBondContact O-N 2.93Å; V848-Y850 HydrophobicContact CB-CE2 3.92Å; V848-Y850 HydrophobicContact CG1-CD1 4.46Å; V848-Y850 HydrophobicContact CG1-CE1 3.84Å; V848-Y850 HydrophobicContact CG1-CE2 3.95Å; V848-Y850 VanDerWaalsContact O-CD2 3.31Å; V848-Y850 WeakPolarHBondContact O-CD2 3.47Å; V848-Y850 WeakPolarHBondContact O-CE2 2.96Å; V848-L866 HydrophobicContact CG1-CD1 4.25Å; V848-L866 HydrophobicContact CG2-CB 4.35Å; V848-L866 HydrophobicContact CG2-CD1 3.91Å
849	R	79.1	Confident	80.7	Confident	145 Å²	145	55.6 Å²	55.6	55%	0.547	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-87.5	130.2	177.1	-62.6	-172.3	-178.7	111.2	7.9	110	Y822 E847	Y822-R849 VanDerWaalsContact CE2-O 3.3Å; Y822-R849 WeakPolarHBondContact CE2-O 3.16Å; Y822-R849 PolarHBondContact OH-O 2.68Å; Y822-R849 VanDerWaalsContact OH-O 3.05Å; E847-R849 PolarHBondContact O-N 3.49Å
850	Y	78.1	Confident	81.2	Confident	46 Å²	46	56.3 Å²	56.3	18%	0.18	28%	0.278	C	S	.	.			trans	-109.8	113.9	-179.6	-63.4	-80.1	0	0	0	110.3	Y822 V848 L854 I859 M862 R863	Y822-Y850 HydrophobicContact CD2-CD1 4.48Å; Y822-Y850 HydrophobicContact CD2-CE1 4.29Å; Y822-Y850 HydrophobicContact CE2-CD1 4.39Å; V848-Y850 HydrophobicContact CB-CE2 3.92Å; V848-Y850 HydrophobicContact CG1-CD1 4.46Å; V848-Y850 HydrophobicContact CG1-CE1 3.84Å; V848-Y850 HydrophobicContact CG1-CE2 3.95Å; V848-Y850 VanDerWaalsContact O-CD2 3.31Å; V848-Y850 WeakPolarHBondContact O-CD2 3.47Å; V848-Y850 WeakPolarHBondContact O-CE2 2.96Å; Y850-L854 HydrophobicContact CD1-CD1 4.06Å; Y850-I859 HydrophobicContact CD1-CG1 4.16Å; Y850-I859 HydrophobicContact CD1-CG2 4.29Å; Y850-I859 HydrophobicContact CD2-CG2 4.28Å; Y850-I859 HydrophobicContact CG-CG1 4.21Å; Y850-I859 HydrophobicContact CG-CG2 4.04Å; Y850-M862 HydrophobicContact CD1-CE 4.05Å; Y850-M862 HydrophobicContact CE1-CB 3.61Å; Y850-M862 HydrophobicContact CE1-CE 4.06Å; Y850-M862 HydrophobicContact CE1-CG 4.48Å; Y850-M862 HydrophobicContact CE1-SD 4.11Å; Y850-R863 HydrophobicContact CD2-CG 4.38Å; Y850-R863 HydrophobicContact CE2-CG 3.58Å; Y850-R863 PolarHBondContact OH-N 3.43Å
851	P	69.7	Low	81.8	Confident	36 Å²	36	56.3 Å²	56.3	23%	0.234	28%	0.278	C	S	.	.			trans	-57.2	145.1	174.5	-28.5	35.7	0	0	0	113.6	V826 F853 L854	V826-P851 HydrophobicContact CG1-CG 4.12Å; V826-P851 HydrophobicContact CG2-CG 4.34Å; P851-F853 HydrophobicContact CB-CD1 3.51Å; P851-F853 HydrophobicContact CB-CE1 3.23Å; P851-F853 HydrophobicContact CB-CE2 4.39Å; P851-F853 HydrophobicContact CB-CG 4.22Å; P851-F853 HydrophobicContact CB-CZ 3.71Å; P851-F853 HydrophobicContact CG-CE1 3.83Å; P851-F853 HydrophobicContact CG-CZ 3.98Å; P851-F853 PolarHBondContact O-N 3.32Å; P851-L854 PolarHBondContact O-N 2.63Å; P851-L854 VanDerWaalsContact O-N 3.16Å
852	R	59.9	Low	82.6	Confident	188 Å²	188	53.6 Å²	53.6	71%	0.709	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.3	-177.8	-61.5	-172.6	-173.1	-170.4	2.1	114.9	T315	T315-R852 PolarHBondContact O-NH2 3.26Å
853	F	70.3	Confident	83.2	Confident	139 Å²	139	60.5 Å²	60.5	61%	0.61	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-12	177.7	65	-108.6	0	0	0	113.8	V826 P851	V826-F853 HydrophobicContact CG2-CZ 4.44Å; P851-F853 HydrophobicContact CB-CD1 3.51Å; P851-F853 HydrophobicContact CB-CE1 3.23Å; P851-F853 HydrophobicContact CB-CE2 4.39Å; P851-F853 HydrophobicContact CB-CG 4.22Å; P851-F853 HydrophobicContact CB-CZ 3.71Å; P851-F853 HydrophobicContact CG-CE1 3.83Å; P851-F853 HydrophobicContact CG-CZ 3.98Å; P851-F853 PolarHBondContact O-N 3.32Å
854	L	71.1	Confident	83.7	Confident	15 Å²	15	66.3 Å²	66.3	8%	0.079	31%	0.311	C	S	.	.	S	Bend	trans	-76.3	142.7	179.1	-64	172.2	0	0	0	111.1	L825 V826 Y850 P851 I859 M862	L825-L854 HydrophobicContact CB-CD2 3.75Å; L825-L854 HydrophobicContact CD1-CD2 4.15Å; L825-L854 HydrophobicContact CG-CD2 4.48Å; V826-L854 HydrophobicContact CG2-CD1 4.22Å; V826-L854 HydrophobicContact CG2-CD2 4.22Å; Y850-L854 HydrophobicContact CD1-CD1 4.06Å; P851-L854 PolarHBondContact O-N 2.63Å; P851-L854 VanDerWaalsContact O-N 3.16Å; L854-I859 HydrophobicContact CB-CD1 3.98Å; L854-I859 HydrophobicContact CB-CG1 3.72Å; L854-I859 HydrophobicContact CD1-CG1 4.14Å; L854-M862 HydrophobicContact CD1-CE 3.81Å; L854-M862 HydrophobicContact CD2-CE 4.4Å
855	S	77.3	Confident	84.2	Confident	28 Å²	28	65.1 Å²	65.1	20%	0.196	30%	0.304	C	S	.	.			trans	-65.6	157.6	174	77.3	0	0	0	0	112.6	E730 E857 A858 I859	E730-S855 WeakPolarHBondContact OE1-CB 3.36Å; E730-S855 PolarHBondContact OE1-OG 3.07Å; E730-S855 VanDerWaalsContact OE2-CB 3.22Å; E730-S855 WeakPolarHBondContact OE2-CB 3.36Å; E730-S855 PolarHBondContact OE2-OG 3.31Å; S855-E857 PolarHBondContact O-N 3.48Å; S855-E857 PolarHBondContact OG-N 2.97Å; S855-A858 PolarHBondContact O-N 2.88Å; S855-A858 VanDerWaalsContact OG-CB 3.31Å; S855-A858 WeakPolarHBondContact OG-CB 3.49Å; S855-A858 PolarHBondContact OG-N 2.8Å; S855-I859 WeakPolarHBondContact O-CG1 3.29Å; S855-I859 PolarHBondContact O-N 3.16Å
856	T	86.1	Confident	84.9	Confident	116 Å²	116	62 Å²	62	71%	0.712	29%	0.287	S	S	*	.	H	α-helix	trans	-57	-34.8	171.4	32.3	0	0	0	0	112.5	G860	T856-G860 WeakPolarHBondContact O-CA 3.35Å; T856-G860 PolarHBondContact O-N 3.42Å
857	E	91.3	Very high	85.6	Confident	55 Å²	55	63.9 Å²	63.9	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-70.4	-45.3	178	-77.6	81.9	168.7	0	0	112.2	S855 G860 I861 P888 R891	S855-E857 PolarHBondContact O-N 3.48Å; S855-E857 PolarHBondContact OG-N 2.97Å; E857-G860 PolarHBondContact O-N 3.36Å; E857-I861 PolarHBondContact O-N 3.4Å; E857-P888 HydrophobicContact CB-CB 4.45Å; E857-P888 HydrophobicContact CG-CB 3.59Å; E857-R891 IonicContact OE1-CZ 3.52Å; E857-R891 IonicContact OE1-NH1 3.42Å; E857-R891 PolarHBondContact OE1-NH1 3.35Å
858	A	88.9	Confident	86.2	Confident	0 Å²	0	63 Å²	63	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-48.9	176.1	0	0	0	0	0	111.8	L825 S855 G860 I861 M862 F889	L825-A858 HydrophobicContact CD1-CB 3.83Å; S855-A858 PolarHBondContact O-N 2.88Å; S855-A858 VanDerWaalsContact OG-CB 3.31Å; S855-A858 WeakPolarHBondContact OG-CB 3.49Å; S855-A858 PolarHBondContact OG-N 2.8Å; A858-G860 PolarHBondContact O-N 2.92Å; A858-I861 VanDerWaalsContact O-CG2 3.28Å; A858-I861 WeakPolarHBondContact O-CG2 3.4Å; A858-I861 PolarHBondContact O-N 3.04Å; A858-M862 HydrophobicContact CB-CE 4.15Å; A858-M862 VanDerWaalsContact O-CE 3.28Å; A858-M862 WeakPolarHBondContact O-CE 3.39Å; A858-M862 WeakPolarHBondContact O-CG 3.41Å; A858-M862 PolarHBondContact O-N 3.12Å; A858-M862 VanDerWaalsContact O-N 3.09Å; A858-F889 HydrophobicContact CB-CD2 4.03Å; A858-F889 HydrophobicContact CB-CE2 3.86Å
859	I	87.2	Confident	86.8	Confident	31 Å²	31	65.4 Å²	65.4	16%	0.159	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-40.3	172.7	-63.3	174	0	0	0	110	Y850 L854 S855 M862 R863	Y850-I859 HydrophobicContact CD1-CG1 4.16Å; Y850-I859 HydrophobicContact CD1-CG2 4.29Å; Y850-I859 HydrophobicContact CD2-CG2 4.28Å; Y850-I859 HydrophobicContact CG-CG1 4.21Å; Y850-I859 HydrophobicContact CG-CG2 4.04Å; L854-I859 HydrophobicContact CB-CD1 3.98Å; L854-I859 HydrophobicContact CB-CG1 3.72Å; L854-I859 HydrophobicContact CD1-CG1 4.14Å; S855-I859 WeakPolarHBondContact O-CG1 3.29Å; S855-I859 PolarHBondContact O-N 3.16Å; I859-M862 PolarHBondContact O-N 3.42Å; I859-R863 HydrophobicContact CG2-CG 4.11Å; I859-R863 VanDerWaalsContact O-CB 3.31Å; I859-R863 WeakPolarHBondContact O-CB 3.44Å; I859-R863 VanDerWaalsContact O-CG 3.28Å; I859-R863 WeakPolarHBondContact O-CG 3.24Å; I859-R863 PolarHBondContact O-N 3.29Å
860	G	92.3	Very high	87.6	Confident	26 Å²	26	59.4 Å²	59.4	27%	0.268	27%	0.273	S	S	.	.	H	α-helix	trans	-61.4	-43.2	-179.3	0	0	0	0	0	114	T856 E857 A858 R864	T856-G860 WeakPolarHBondContact O-CA 3.35Å; T856-G860 PolarHBondContact O-N 3.42Å; E857-G860 PolarHBondContact O-N 3.36Å; A858-G860 PolarHBondContact O-N 2.92Å; G860-R864 VanDerWaalsContact O-CD 3.29Å; G860-R864 WeakPolarHBondContact O-CD 3.13Å; G860-R864 WeakPolarHBondContact O-CG 3.34Å
861	I	98.2	Very high	88.3	Confident	2 Å²	2	65 Å²	65	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-73.9	-44.8	176.1	-170.2	169.1	0	0	0	111.6	E857 A858 R863 R864 L865 L874 Q887 F889 F890	E857-I861 PolarHBondContact O-N 3.4Å; A858-I861 VanDerWaalsContact O-CG2 3.28Å; A858-I861 WeakPolarHBondContact O-CG2 3.4Å; A858-I861 PolarHBondContact O-N 3.04Å; I861-R863 PolarHBondContact O-N 3.31Å; I861-R864 WeakPolarHBondContact O-CB 3.35Å; I861-R864 PolarHBondContact O-N 2.87Å; I861-L865 HydrophobicContact CD1-CD1 4.19Å; I861-L865 HydrophobicContact CG1-CD1 3.77Å; I861-L865 HydrophobicContact CG1-CG 4.16Å; I861-L865 PolarHBondContact O-N 3.24Å; I861-L874 HydrophobicContact CG1-CD2 4.24Å; I861-Q887 HydrophobicContact CD1-CB 4.15Å; I861-Q887 HydrophobicContact CD1-CG 4.25Å; I861-Q887 HydrophobicContact CG1-CB 4.41Å; I861-Q887 HydrophobicContact CG1-CG 4.25Å; I861-F889 HydrophobicContact CB-CB 3.95Å; I861-F889 HydrophobicContact CB-CG 4.32Å; I861-F889 HydrophobicContact CD1-CB 4.13Å; I861-F889 HydrophobicContact CD1-CD1 3.85Å; I861-F889 HydrophobicContact CD1-CG 4.31Å; I861-F889 HydrophobicContact CG2-CB 3.69Å; I861-F889 HydrophobicContact CG2-CD1 3.83Å; I861-F889 HydrophobicContact CG2-CD2 3.92Å; I861-F889 HydrophobicContact CG2-CE1 4.38Å; I861-F889 HydrophobicContact CG2-CE2 4.46Å; I861-F889 HydrophobicContact CG2-CG 3.55Å; I861-F890 HydrophobicContact CD1-CD2 4.09Å; I861-F890 HydrophobicContact CD1-CE2 3.43Å; I861-F890 VanDerWaalsContact CD1-CE2 3.43Å; I861-F890 HydrophobicContact CD1-CZ 4.14Å
862	M	97.8	Very high	89.5	Confident	0 Å²	0	72 Å²	72	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.2	-44.2	-179	-72.6	-174.3	-80.5	0	0	111.8	V821 Y822 L825 Y850 L854 A858 I859 R864 L865 L866	V821-M862 HydrophobicContact CB-CG 4.2Å; V821-M862 HydrophobicContact CG1-CG 3.7Å; V821-M862 HydrophobicContact CG1-SD 3.98Å; Y822-M862 VanDerWaalsContact CA-SD 3.51Å; Y822-M862 HydrophobicContact CD2-SD 3.77Å; Y822-M862 HydrophobicContact CG-SD 4.14Å; L825-M862 HydrophobicContact CD1-CE 3.94Å; Y850-M862 HydrophobicContact CD1-CE 4.05Å; Y850-M862 HydrophobicContact CE1-CB 3.61Å; Y850-M862 HydrophobicContact CE1-CE 4.06Å; Y850-M862 HydrophobicContact CE1-CG 4.48Å; Y850-M862 HydrophobicContact CE1-SD 4.11Å; L854-M862 HydrophobicContact CD1-CE 3.81Å; L854-M862 HydrophobicContact CD2-CE 4.4Å; A858-M862 HydrophobicContact CB-CE 4.15Å; A858-M862 VanDerWaalsContact O-CE 3.28Å; A858-M862 WeakPolarHBondContact O-CE 3.39Å; A858-M862 WeakPolarHBondContact O-CG 3.41Å; A858-M862 PolarHBondContact O-N 3.12Å; A858-M862 VanDerWaalsContact O-N 3.09Å; I859-M862 PolarHBondContact O-N 3.42Å; M862-R864 PolarHBondContact O-N 2.83Å; M862-R864 VanDerWaalsContact O-N 3.1Å; M862-L865 PolarHBondContact O-N 3.07Å; M862-L866 VanDerWaalsContact O-CB 3.31Å; M862-L866 WeakPolarHBondContact O-CB 3.34Å; M862-L866 PolarHBondContact O-N 3.18Å
863	R	95.9	Very high	91.3	Very high	147 Å²	147	63.4 Å²	63.4	56%	0.555	29%	0.29	S	S	*	.	H	α-helix	trans	-61.3	-19.1	174.4	-75.4	179.6	174	175	-6.3	114.5	Y850 I859 I861 R867	Y850-R863 HydrophobicContact CD2-CG 4.38Å; Y850-R863 HydrophobicContact CE2-CG 3.58Å; Y850-R863 PolarHBondContact OH-N 3.43Å; I859-R863 HydrophobicContact CG2-CG 4.11Å; I859-R863 VanDerWaalsContact O-CB 3.31Å; I859-R863 WeakPolarHBondContact O-CB 3.44Å; I859-R863 VanDerWaalsContact O-CG 3.28Å; I859-R863 WeakPolarHBondContact O-CG 3.24Å; I859-R863 PolarHBondContact O-N 3.29Å; I861-R863 PolarHBondContact O-N 3.31Å; R863-R867 WeakPolarHBondContact O-CG 3.41Å
864	R	97.8	Very high	92.7	Very high	122 Å²	122	57.8 Å²	57.8	46%	0.46	27%	0.266	S	S	.	.	H	α-helix	trans	-94.3	-33.2	179.1	-70.2	172.9	-179	-104.9	1.9	112.3	G860 I861 M862 L874 Q887	G860-R864 VanDerWaalsContact O-CD 3.29Å; G860-R864 WeakPolarHBondContact O-CD 3.13Å; G860-R864 WeakPolarHBondContact O-CG 3.34Å; I861-R864 WeakPolarHBondContact O-CB 3.35Å; I861-R864 PolarHBondContact O-N 2.87Å; M862-R864 PolarHBondContact O-N 2.83Å; M862-R864 VanDerWaalsContact O-N 3.1Å; R864-L874 HydrophobicContact CB-CB 3.89Å; R864-L874 HydrophobicContact CB-CD2 4.08Å; R864-L874 PolarHBondContact O-N 2.87Å; R864-Q887 VanDerWaalsContact CD-OE1 3.27Å
865	L	98.4	Very high	93.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-78.6	-40.4	173.6	-67.2	173.4	0	0	0	112.2	W814 L817 I861 M862 R867 R873 L874	W814-L865 HydrophobicContact CB-CD2 4.17Å; W814-L865 WeakPolarHBondContact O-CD2 3.48Å; L817-L865 HydrophobicContact CB-CD1 4.34Å; L817-L865 HydrophobicContact CD2-CD1 4.04Å; L817-L865 HydrophobicContact CG-CD1 3.97Å; I861-L865 HydrophobicContact CD1-CD1 4.19Å; I861-L865 HydrophobicContact CG1-CD1 3.77Å; I861-L865 HydrophobicContact CG1-CG 4.16Å; I861-L865 PolarHBondContact O-N 3.24Å; M862-L865 PolarHBondContact O-N 3.07Å; L865-R867 PolarHBondContact O-N 3.16Å; L865-R867 VanDerWaalsContact O-N 3.09Å; L865-R873 WeakPolarHBondContact O-CD 3.37Å; L865-R873 WeakPolarHBondContact O-CG 3.35Å; L865-R873 PolarHBondContact O-NE 3.09Å; L865-L874 HydrophobicContact CD2-CB 4.05Å; L865-L874 HydrophobicContact CD2-CD2 3.96Å; L865-L874 HydrophobicContact CD2-CG 4.22Å; L865-L874 HydrophobicContact CG-CD2 4.21Å
866	L	97.9	Very high	94.7	Very high	15 Å²	15	56.7 Å²	56.7	8%	0.079	26%	0.26	C	S	.	.	S	Bend	trans	-85.5	34.2	179.3	-60.8	176.8	0	0	0	113	W815 V819 P830 F831 V848 M862	W815-L866 HydrophobicContact CD2-CD2 3.93Å; W815-L866 HydrophobicContact CE3-CD2 4.06Å; W815-L866 HydrophobicContact CG-CD2 4.46Å; W815-L866 HydrophobicContact CH2-CD2 4.4Å; W815-L866 HydrophobicContact CZ2-CD2 4.26Å; W815-L866 VanDerWaalsContact CZ3-C 3.45Å; W815-L866 HydrophobicContact CZ3-CB 4.24Å; W815-L866 HydrophobicContact CZ3-CD2 4.3Å; W815-L866 WeakPolarHBondContact CZ3-O 3.18Å; V819-L866 HydrophobicContact CG2-CD2 3.7Å; P830-L866 HydrophobicContact CB-CD1 4.38Å; P830-L866 HydrophobicContact CG-CD1 4.5Å; F831-L866 HydrophobicContact CE2-CD2 4.42Å; V848-L866 HydrophobicContact CG1-CD1 4.25Å; V848-L866 HydrophobicContact CG2-CB 4.35Å; V848-L866 HydrophobicContact CG2-CD1 3.91Å; M862-L866 VanDerWaalsContact O-CB 3.31Å; M862-L866 WeakPolarHBondContact O-CB 3.34Å; M862-L866 PolarHBondContact O-N 3.18Å
867	R	96.8	Very high	95.1	Very high	114 Å²	114	52.4 Å²	52.4	43%	0.43	24%	0.24	S	C	.	.			trans	-81.6	124.8	171.1	-74.4	-177.3	163.6	-169	-6.2	109.9	R863 L865 N869 R872 R873	R863-R867 WeakPolarHBondContact O-CG 3.41Å; L865-R867 PolarHBondContact O-N 3.16Å; L865-R867 VanDerWaalsContact O-N 3.09Å; R867-N869 PolarHBondContact O-N 3.45Å; R867-R872 WeakPolarHBondContact CD-O 3.35Å; R867-R872 PolarHBondContact NH1-O 3.27Å; R867-R873 HydrophobicContact CB-CB 4.17Å; R867-R873 HydrophobicContact CB-CG 4.42Å; R867-R873 PolarHBondContact O-NE 3.32Å; R867-R873 PolarHBondContact O-NH2 3.46Å
868	R	94.3	Very high	95.3	Very high	77 Å²	77	57 Å²	57	29%	0.291	26%	0.261	S	S	.	.	S	Bend	trans	-60.9	-44.8	-178.8	-63.8	-166.7	165.7	105.3	2.6	113.9	P800 W815 S842 I843 V844 N845 D846 P870 R873	P800-R868 HydrophobicContact CG-CB 4.25Å; P800-R868 HydrophobicContact CG-CG 4.05Å; W815-R868 HydrophobicContact CZ3-CG 4.5Å; S842-R868 PolarHBondContact O-NH2 3.44Å; I843-R868 PolarHBondContact O-NE 3Å; I843-R868 PolarHBondContact O-NH2 2.91Å; V844-R868 WeakPolarHBondContact O-CD 3.29Å; V844-R868 PolarHBondContact O-NE 3.13Å; N845-R868 PolarHBondContact O-NH1 3.41Å; N845-R868 VanDerWaalsContact O-NH1 3.11Å; N845-R868 PolarHBondContact O-NH2 3.23Å; D846-R868 VanDerWaalsContact N-NH2 3.12Å; D846-R868 PolarHBondContact O-NH2 2.96Å; R868-P870 VanDerWaalsContact O-CD 3.26Å; R868-P870 WeakPolarHBondContact O-CD 3.5Å; R868-R873 PolarHBondContact O-NH2 2.86Å; R868-R873 VanDerWaalsContact O-NH2 3.14Å
869	N	94.3	Very high	95.6	Very high	71 Å²	71	63.7 Å²	63.7	38%	0.38	29%	0.29	S	S	.	.	S	Bend	trans	-72.8	115	173.5	-180	-22.2	0	0	0	109.2	R867 E871 R872 R873	R867-N869 PolarHBondContact O-N 3.45Å; N869-E871 VanDerWaalsContact C-N 3.32Å; N869-E871 PolarHBondContact O-N 2.92Å; N869-E871 WeakPolarHBondContact OD1-CB 3.07Å; N869-E871 PolarHBondContact OD1-N 3.44Å; N869-R872 PolarHBondContact O-N 2.98Å; N869-R873 PolarHBondContact O-N 3.06Å
870	P	95.3	Very high	96.1	Very high	19 Å²	19	62.4 Å²	62.4	12%	0.123	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-63.1	-33.5	-178.6	25.5	-34	0	0	0	112.8	E801 A811 R868 R872 R873 S876	E801-P870 HydrophobicContact CB-CG 4.43Å; E801-P870 HydrophobicContact CG-CG 4.31Å; A811-P870 HydrophobicContact CB-CB 3.75Å; R868-P870 VanDerWaalsContact O-CD 3.26Å; R868-P870 WeakPolarHBondContact O-CD 3.5Å; P870-R872 PolarHBondContact O-N 2.99Å; P870-R873 VanDerWaalsContact O-CB 3.28Å; P870-R873 WeakPolarHBondContact O-CB 3.24Å; P870-R873 PolarHBondContact O-N 3.38Å; P870-S876 WeakPolarHBondContact O-CB 3.47Å; P870-S876 PolarHBondContact O-OG 2.8Å; P870-S876 VanDerWaalsContact O-OG 3.11Å
871	E	93.6	Very high	96.4	Very high	164 Å²	164	61.2 Å²	61.2	77%	0.766	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-64.9	-24.8	-180	-57.4	177.4	165.6	0	0	113	N869	N869-E871 VanDerWaalsContact C-N 3.32Å; N869-E871 PolarHBondContact O-N 2.92Å; N869-E871 WeakPolarHBondContact OD1-CB 3.07Å; N869-E871 PolarHBondContact OD1-N 3.44Å
872	R	95.6	Very high	96.4	Very high	182 Å²	182	64.4 Å²	64.4	69%	0.687	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-98.9	-0.7	177.5	-65.1	-173.9	176.1	-171.8	-1	113	R867 N869 P870	R867-R872 WeakPolarHBondContact CD-O 3.35Å; R867-R872 PolarHBondContact NH1-O 3.27Å; N869-R872 PolarHBondContact O-N 2.98Å; P870-R872 PolarHBondContact O-N 2.99Å
873	R	98.1	Very high	96.4	Very high	8 Å²	8	66.8 Å²	66.8	3%	0.03	30%	0.299	C	S	.	.	S	Bend	trans	-81.1	141.3	-176.9	-172.1	-176.8	-60.5	148.5	5.8	110.6	E801 A811 L865 R867 R868 N869 P870 S876	E801-R873 IonicContact OE1-CZ 3.36Å; E801-R873 IonicContact OE1-NH1 3.94Å; E801-R873 PolarHBondContact OE1-NH1 2.9Å; E801-R873 IonicContact OE1-NH2 2.76Å; E801-R873 PolarHBondContact OE1-NH2 3.5Å; E801-R873 IonicContact OE2-CZ 2.69Å; E801-R873 IonicContact OE2-NH1 3.03Å; E801-R873 PolarHBondContact OE2-NH1 2.94Å; E801-R873 IonicContact OE2-NH2 3.38Å; E801-R873 PolarHBondContact OE2-NH2 3.49Å; A811-R873 PolarHBondContact O-NH1 3.36Å; L865-R873 WeakPolarHBondContact O-CD 3.37Å; L865-R873 WeakPolarHBondContact O-CG 3.35Å; L865-R873 PolarHBondContact O-NE 3.09Å; R867-R873 HydrophobicContact CB-CB 4.17Å; R867-R873 HydrophobicContact CB-CG 4.42Å; R867-R873 PolarHBondContact O-NE 3.32Å; R867-R873 PolarHBondContact O-NH2 3.46Å; R868-R873 PolarHBondContact O-NH2 2.86Å; R868-R873 VanDerWaalsContact O-NH2 3.14Å; N869-R873 PolarHBondContact O-N 3.06Å; P870-R873 VanDerWaalsContact O-CB 3.28Å; P870-R873 WeakPolarHBondContact O-CB 3.24Å; P870-R873 PolarHBondContact O-N 3.38Å; R873-S876 VanDerWaalsContact O-CB 3.3Å; R873-S876 WeakPolarHBondContact O-CB 3.32Å; R873-S876 PolarHBondContact O-N 3.48Å; R873-S876 VanDerWaalsContact O-N 3.16Å; R873-S876 PolarHBondContact O-OG 3.44Å
874	L	98.3	Very high	96.5	Very high	21 Å²	21	59.8 Å²	59.8	11%	0.11	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	142.9	174.9	-178.8	68.8	0	0	0	110.8	W814 I861 R864 L865 S876 D883 V884 Q887	W814-L874 WeakPolarHBondContact CB-O 3.46Å; I861-L874 HydrophobicContact CG1-CD2 4.24Å; R864-L874 HydrophobicContact CB-CB 3.89Å; R864-L874 HydrophobicContact CB-CD2 4.08Å; R864-L874 PolarHBondContact O-N 2.87Å; L865-L874 HydrophobicContact CD2-CB 4.05Å; L865-L874 HydrophobicContact CD2-CD2 3.96Å; L865-L874 HydrophobicContact CD2-CG 4.22Å; L865-L874 HydrophobicContact CG-CD2 4.21Å; L874-S876 PolarHBondContact O-N 3.36Å; L874-D883 HydrophobicContact CD1-CB 4.14Å; L874-V884 HydrophobicContact CD2-CG2 4.31Å; L874-V884 HydrophobicContact CG-CG2 3.99Å; L874-Q887 HydrophobicContact CD1-CG 4.39Å; L874-Q887 HydrophobicContact CD2-CG 3.46Å; L874-Q887 VanDerWaalsContact CD2-CG 3.46Å
875	G	96.7	Very high	96.5	Very high	2 Å²	2	55.6 Å²	55.6	2%	0.021	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	-6.4	-174.7	0	0	0	0	0	115.1	W814 G877 D880	W814-G875 PolarHBondContact NE1-O 2.82Å; G875-G877 VanDerWaalsContact C-N 3.34Å; G875-G877 PolarHBondContact O-N 3.19Å; G875-D880 WeakPolarHBondContact CA-O 3.41Å; G875-D880 WeakPolarHBondContact O-CA 3.25Å; G875-D880 VanDerWaalsContact O-OD1 3.08Å
876	S	94.8	Very high	96.4	Very high	18 Å²	18	61.8 Å²	61.8	13%	0.126	28%	0.284	C	S	.	.			trans	-86.4	-3.5	-176.3	-57.1	0	0	0	0	114.6	A811 P870 R873 L874	A811-S876 WeakPolarHBondContact CB-OG 3.45Å; P870-S876 WeakPolarHBondContact O-CB 3.47Å; P870-S876 PolarHBondContact O-OG 2.8Å; P870-S876 VanDerWaalsContact O-OG 3.11Å; R873-S876 VanDerWaalsContact O-CB 3.3Å; R873-S876 WeakPolarHBondContact O-CB 3.32Å; R873-S876 PolarHBondContact O-N 3.48Å; R873-S876 VanDerWaalsContact O-N 3.16Å; R873-S876 PolarHBondContact O-OG 3.44Å; L874-S876 PolarHBondContact O-N 3.36Å
877	G	94	Very high	96.5	Very high	27 Å²	27	62.3 Å²	62.3	28%	0.278	29%	0.286	S	S	.	.	S	Bend	trans	-78.5	179.2	171.4	0	0	0	0	0	113.1	Y784 R810 G875 K879 D880	Y784-G877 VanDerWaalsContact CE2-C 3.47Å; R810-G877 PolarHBondContact NH2-O 2.93Å; G875-G877 VanDerWaalsContact C-N 3.34Å; G875-G877 PolarHBondContact O-N 3.19Å; G877-K879 VanDerWaalsContact C-N 3.3Å; G877-K879 PolarHBondContact O-N 2.97Å; G877-D880 PolarHBondContact O-N 3.45Å
878	E	94.8	Very high	96.5	Very high	151 Å²	151	59.8 Å²	59.8	71%	0.706	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-41.2	177.6	-172.6	175	-157.2	0	0	112.1	Y784 R810 D880	Y784-E878 HydrophobicContact CD1-CB 3.95Å; Y784-E878 HydrophobicContact CD1-CG 4.02Å; Y784-E878 HydrophobicContact CD2-CB 4.47Å; Y784-E878 HydrophobicContact CE1-CB 3.88Å; Y784-E878 HydrophobicContact CE1-CG 4.35Å; Y784-E878 HydrophobicContact CE2-CB 4.43Å; Y784-E878 HydrophobicContact CG-CB 4.25Å; Y784-E878 HydrophobicContact CG-CG 4.4Å; R810-E878 PolarHBondContact NH2-O 3.45Å; E878-D880 PolarHBondContact O-N 3.42Å
879	K	95.9	Very high	96.7	Very high	141 Å²	141	56.6 Å²	56.6	61%	0.613	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-16.8	178.1	-68.6	178.2	-179	172.4	0	115	G877 A881 E882 D883	G877-K879 VanDerWaalsContact C-N 3.3Å; G877-K879 PolarHBondContact O-N 2.97Å; K879-A881 PolarHBondContact O-N 3.21Å; K879-E882 HydrophobicContact CB-CB 4.44Å; K879-E882 VanDerWaalsContact O-CB 3.29Å; K879-E882 WeakPolarHBondContact O-CB 3.27Å; K879-E882 PolarHBondContact O-N 2.79Å; K879-D883 WeakPolarHBondContact CD-OD1 3.34Å
880	D	98.1	Very high	96.9	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	-126	168.9	-158.1	63.9	0	0	0	114.4	H748 R810 W814 G875 G877 E878 E882 D883	H748-D880 WeakPolarHBondContact CB-OD2 3.49Å; H748-D880 IonicContact CE1-OD1 2.63Å; H748-D880 IonicContact CE1-OD2 2.66Å; H748-D880 IonicContact CG-OD2 3.75Å; H748-D880 VanDerWaalsContact ND1-CG 3.29Å; H748-D880 IonicContact ND1-OD1 3.04Å; H748-D880 PolarHBondContact ND1-OD1 2.93Å; H748-D880 VanDerWaalsContact ND1-OD1 3.11Å; H748-D880 IonicContact ND1-OD2 3.8Å; H748-D880 PolarHBondContact ND1-OD2 3.44Å; R810-D880 WeakPolarHBondContact CD-OD1 3.4Å; R810-D880 IonicContact CZ-OD1 2.97Å; R810-D880 IonicContact NE-OD1 3.99Å; R810-D880 PolarHBondContact NE-OD1 3.3Å; R810-D880 IonicContact NH1-OD1 2.65Å; R810-D880 IonicContact NH2-OD1 2.93Å; W814-D880 VanDerWaalsContact CZ2-OD2 3.31Å; W814-D880 WeakPolarHBondContact CZ2-OD2 3.42Å; W814-D880 PolarHBondContact NE1-OD1 3.45Å; G875-D880 WeakPolarHBondContact CA-O 3.41Å; G875-D880 WeakPolarHBondContact O-CA 3.25Å; G875-D880 VanDerWaalsContact O-OD1 3.08Å; G877-D880 PolarHBondContact O-N 3.45Å; E878-D880 PolarHBondContact O-N 3.42Å; D880-E882 PolarHBondContact O-N 2.66Å; D880-E882 VanDerWaalsContact O-N 3.1Å; D880-D883 PolarHBondContact O-N 3Å; D880-D883 VanDerWaalsContact O-N 3.1Å
881	A	97.7	Very high	96.8	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-51.5	-30.2	176.7	0	0	0	0	0	114	V741 Q745 W814 K879 D883 V884 K885	V741-A881 HydrophobicContact CG1-CB 4.42Å; Q745-A881 HydrophobicContact CB-CB 3.56Å; Q745-A881 HydrophobicContact CG-CB 3.78Å; W814-A881 HydrophobicContact CH2-CB 3.68Å; W814-A881 HydrophobicContact CZ2-CB 3.79Å; K879-A881 PolarHBondContact O-N 3.21Å; A881-D883 PolarHBondContact O-N 3.23Å; A881-V884 WeakPolarHBondContact O-CA 3.47Å; A881-V884 WeakPolarHBondContact O-CB 3.3Å; A881-V884 PolarHBondContact O-N 2.93Å; A881-K885 HydrophobicContact CB-CD 4.44Å; A881-K885 VanDerWaalsContact O-CG 3.27Å; A881-K885 WeakPolarHBondContact O-CG 3.43Å; A881-K885 PolarHBondContact O-N 3.44Å
882	E	98.1	Very high	96.6	Very high	68 Å²	68	57.2 Å²	57.2	32%	0.318	29%	0.286	S	S	.	.	H	α-helix	trans	-65.3	-24.8	-179.7	-69.7	-58.9	135.4	0	0	113.3	Q745 K879 D880 K885 K886	Q745-E882 PolarHBondContact NE2-OE1 2.96Å; K879-E882 HydrophobicContact CB-CB 4.44Å; K879-E882 VanDerWaalsContact O-CB 3.29Å; K879-E882 WeakPolarHBondContact O-CB 3.27Å; K879-E882 PolarHBondContact O-N 2.79Å; D880-E882 PolarHBondContact O-N 2.66Å; D880-E882 VanDerWaalsContact O-N 3.1Å; E882-K885 WeakPolarHBondContact OE1-CE 3.3Å; E882-K885 IonicContact OE1-NZ 2.7Å; E882-K885 PolarHBondContact OE1-NZ 2.94Å; E882-K886 WeakPolarHBondContact O-CD 3.38Å; E882-K886 WeakPolarHBondContact O-CE 3.34Å; E882-K886 VanDerWaalsContact O-CG 3.28Å; E882-K886 WeakPolarHBondContact O-CG 3.13Å; E882-K886 PolarHBondContact O-NZ 3.15Å
883	D	97.6	Very high	96.7	Very high	51 Å²	51	50.1 Å²	50.1	27%	0.273	26%	0.261	S	S	.	.	H	α-helix	trans	-82.4	-26.8	172.8	-71.6	-17.7	0	0	0	111.6	L874 K879 D880 A881 K886 Q887	L874-D883 HydrophobicContact CD1-CB 4.14Å; K879-D883 WeakPolarHBondContact CD-OD1 3.34Å; D880-D883 PolarHBondContact O-N 3Å; D880-D883 VanDerWaalsContact O-N 3.1Å; A881-D883 PolarHBondContact O-N 3.23Å; D883-K886 IonicContact OD1-NZ 3.94Å; D883-Q887 PolarHBondContact O-NE2 3.2Å
884	V	98.4	Very high	96.7	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-70.3	-47.1	173.5	-177.7	0	0	0	0	110.7	V741 W814 L817 L874 A881 K886 Q887 F890	V741-V884 HydrophobicContact CG1-CG1 4.43Å; V741-V884 HydrophobicContact CG2-CG1 3.86Å; W814-V884 HydrophobicContact CD2-CG2 4.11Å; W814-V884 HydrophobicContact CE3-CG2 3.8Å; W814-V884 HydrophobicContact CH2-CG2 4.15Å; W814-V884 HydrophobicContact CZ2-CG2 4.4Å; W814-V884 HydrophobicContact CZ3-CB 4.36Å; W814-V884 HydrophobicContact CZ3-CG1 4.26Å; W814-V884 HydrophobicContact CZ3-CG2 3.83Å; L817-V884 HydrophobicContact CD2-CG1 4.15Å; L874-V884 HydrophobicContact CD2-CG2 4.31Å; L874-V884 HydrophobicContact CG-CG2 3.99Å; A881-V884 WeakPolarHBondContact O-CA 3.47Å; A881-V884 WeakPolarHBondContact O-CB 3.3Å; A881-V884 PolarHBondContact O-N 2.93Å; V884-K886 PolarHBondContact O-N 3.27Å; V884-K886 VanDerWaalsContact O-N 3.1Å; V884-Q887 WeakPolarHBondContact O-CG 3.42Å; V884-Q887 PolarHBondContact O-N 3.45Å; V884-F890 HydrophobicContact CG1-CE2 3.94Å; V884-F890 WeakPolarHBondContact O-CD2 3.41Å
885	K	98.4	Very high	96.7	Very high	33 Å²	33	54.6 Å²	54.6	14%	0.143	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.2	-179	-69.8	164.4	71.4	178.2	0	113.9	V741 A881 E882 W895	V741-K885 HydrophobicContact CG1-CD 4.28Å; V741-K885 HydrophobicContact CG1-CG 3.73Å; A881-K885 HydrophobicContact CB-CD 4.44Å; A881-K885 VanDerWaalsContact O-CG 3.27Å; A881-K885 WeakPolarHBondContact O-CG 3.43Å; A881-K885 PolarHBondContact O-N 3.44Å; E882-K885 WeakPolarHBondContact OE1-CE 3.3Å; E882-K885 IonicContact OE1-NZ 2.7Å; E882-K885 PolarHBondContact OE1-NZ 2.94Å; K885-W895 HydrophobicContact CB-CD2 4.27Å; K885-W895 HydrophobicContact CB-CH2 4.34Å; K885-W895 HydrophobicContact CB-CZ2 3.71Å; K885-W895 HydrophobicContact CD-CD2 4.31Å; K885-W895 HydrophobicContact CD-CE3 4.35Å; K885-W895 HydrophobicContact CG-CD2 3.89Å; K885-W895 HydrophobicContact CG-CE3 4Å; K885-W895 HydrophobicContact CG-CH2 3.77Å; K885-W895 HydrophobicContact CG-CZ2 3.64Å; K885-W895 HydrophobicContact CG-CZ3 3.93Å; K885-W895 PolarHBondContact O-NE1 3.29Å
886	K	97.1	Very high	96.7	Very high	131 Å²	131	59.8 Å²	59.8	57%	0.57	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.9	179.2	-67.1	175.7	-170	102.6	0	114.5	E882 D883 V884	E882-K886 WeakPolarHBondContact O-CD 3.38Å; E882-K886 WeakPolarHBondContact O-CE 3.34Å; E882-K886 VanDerWaalsContact O-CG 3.28Å; E882-K886 WeakPolarHBondContact O-CG 3.13Å; E882-K886 PolarHBondContact O-NZ 3.15Å; D883-K886 IonicContact OD1-NZ 3.94Å; V884-K886 PolarHBondContact O-N 3.27Å; V884-K886 VanDerWaalsContact O-N 3.1Å
887	Q	98.2	Very high	96.8	Very high	25 Å²	25	59.7 Å²	59.7	12%	0.117	31%	0.31	C	S	.	.	S	Bend	trans	-69.8	145.2	-178.7	-63.7	-48.5	-66.1	0	0	111.9	I861 R864 L874 D883 V884 F889 F890	I861-Q887 HydrophobicContact CD1-CB 4.15Å; I861-Q887 HydrophobicContact CD1-CG 4.25Å; I861-Q887 HydrophobicContact CG1-CB 4.41Å; I861-Q887 HydrophobicContact CG1-CG 4.25Å; R864-Q887 VanDerWaalsContact CD-OE1 3.27Å; L874-Q887 HydrophobicContact CD1-CG 4.39Å; L874-Q887 HydrophobicContact CD2-CG 3.46Å; L874-Q887 VanDerWaalsContact CD2-CG 3.46Å; D883-Q887 PolarHBondContact O-NE2 3.2Å; V884-Q887 WeakPolarHBondContact O-CG 3.42Å; V884-Q887 PolarHBondContact O-N 3.45Å; Q887-F889 PolarHBondContact O-N 2.91Å; Q887-F890 PolarHBondContact O-N 3.4Å
888	P	97.6	Very high	97	Very high	62 Å²	62	58.4 Å²	58.4	40%	0.403	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-53.2	-26.1	177.2	-32.2	39	0	0	0	115.9	E857 F890 R891	E857-P888 HydrophobicContact CB-CB 4.45Å; E857-P888 HydrophobicContact CG-CB 3.59Å; P888-F890 PolarHBondContact O-N 3.35Å; P888-R891 WeakPolarHBondContact O-CB 3.42Å; P888-R891 PolarHBondContact O-N 3.09Å
889	F	98	Very high	97.1	Very high	9 Å²	9	54.5 Å²	54.5	4%	0.039	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-58.7	-29.1	173.5	-176.7	-109.7	0	0	0	113.6	E730 V734 V821 L825 A858 I861 Q887	E730-F889 HydrophobicContact CG-CE2 4.06Å; V734-F889 HydrophobicContact CB-CE1 4.36Å; V734-F889 HydrophobicContact CB-CZ 4.37Å; V734-F889 HydrophobicContact CG2-CD1 4.06Å; V734-F889 HydrophobicContact CG2-CD2 3.94Å; V734-F889 HydrophobicContact CG2-CE1 3.68Å; V734-F889 HydrophobicContact CG2-CE2 3.55Å; V734-F889 HydrophobicContact CG2-CG 4.2Å; V734-F889 HydrophobicContact CG2-CZ 3.42Å; V734-F889 VanDerWaalsContact CG2-CZ 3.42Å; V734-F889 WeakPolarHBondContact CG2-O 3.39Å; V821-F889 HydrophobicContact CG1-CE1 4.31Å; V821-F889 HydrophobicContact CG1-CZ 3.95Å; L825-F889 HydrophobicContact CD1-CE2 4.34Å; L825-F889 HydrophobicContact CD1-CZ 4.49Å; A858-F889 HydrophobicContact CB-CD2 4.03Å; A858-F889 HydrophobicContact CB-CE2 3.86Å; I861-F889 HydrophobicContact CB-CB 3.95Å; I861-F889 HydrophobicContact CB-CG 4.32Å; I861-F889 HydrophobicContact CD1-CB 4.13Å; I861-F889 HydrophobicContact CD1-CD1 3.85Å; I861-F889 HydrophobicContact CD1-CG 4.31Å; I861-F889 HydrophobicContact CG2-CB 3.69Å; I861-F889 HydrophobicContact CG2-CD1 3.83Å; I861-F889 HydrophobicContact CG2-CD2 3.92Å; I861-F889 HydrophobicContact CG2-CE1 4.38Å; I861-F889 HydrophobicContact CG2-CE2 4.46Å; I861-F889 HydrophobicContact CG2-CG 3.55Å; Q887-F889 PolarHBondContact O-N 2.91Å
890	F	98.1	Very high	97.2	Very high	6 Å²	6	53 Å²	53	3%	0.026	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-100.2	18.5	175.1	-60.1	-69.2	0	0	0	112.8	V734 A738 V741 I861 V884 Q887 P888 G892 M893 W895	V734-F890 HydrophobicContact CG1-CD1 4Å; V734-F890 HydrophobicContact CG1-CE1 4.49Å; A738-F890 HydrophobicContact CB-CD1 4.18Å; A738-F890 HydrophobicContact CB-CE1 4.01Å; V741-F890 HydrophobicContact CG2-CE2 4.39Å; V741-F890 HydrophobicContact CG2-CZ 4.02Å; I861-F890 HydrophobicContact CD1-CD2 4.09Å; I861-F890 HydrophobicContact CD1-CE2 3.43Å; I861-F890 VanDerWaalsContact CD1-CE2 3.43Å; I861-F890 HydrophobicContact CD1-CZ 4.14Å; V884-F890 HydrophobicContact CG1-CE2 3.94Å; V884-F890 WeakPolarHBondContact O-CD2 3.41Å; Q887-F890 PolarHBondContact O-N 3.4Å; P888-F890 PolarHBondContact O-N 3.35Å; F890-G892 PolarHBondContact O-N 2.87Å; F890-M893 HydrophobicContact CB-CB 4.25Å; F890-M893 VanDerWaalsContact O-CB 3.31Å; F890-M893 WeakPolarHBondContact O-CB 3.48Å; F890-M893 PolarHBondContact O-N 3.15Å; F890-W895 HydrophobicContact CB-CH2 4.35Å; F890-W895 HydrophobicContact CB-CZ2 3.59Å; F890-W895 AromaticContact CD1-CH2 3.78Å; F890-W895 HydrophobicContact CD1-CH2 3.78Å; F890-W895 AromaticContact CD1-CZ2 3.9Å; F890-W895 HydrophobicContact CD1-CZ2 3.9Å; F890-W895 HydrophobicContact CD2-CH2 4.12Å; F890-W895 AromaticContact CD2-CZ2 3.95Å; F890-W895 HydrophobicContact CD2-CZ2 3.95Å; F890-W895 HydrophobicContact CE1-CH2 4.03Å; F890-W895 HydrophobicContact CE2-CH2 4.33Å; F890-W895 AromaticContact CG-CH2 3.84Å; F890-W895 HydrophobicContact CG-CH2 3.84Å; F890-W895 AromaticContact CG-CZ2 3.56Å; F890-W895 HydrophobicContact CG-CZ2 3.56Å; F890-W895 HydrophobicContact CZ-CH2 4.3Å
891	R	94.1	Very high	97.1	Very high	181 Å²	181	56.2 Å²	56.2	68%	0.683	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	120.9	178.2	-179.9	-172.8	-71.2	138.6	-2.8	109.9	E857 P888	E857-R891 IonicContact OE1-CZ 3.52Å; E857-R891 IonicContact OE1-NH1 3.42Å; E857-R891 PolarHBondContact OE1-NH1 3.35Å; P888-R891 WeakPolarHBondContact O-CB 3.42Å; P888-R891 PolarHBondContact O-N 3.09Å
892	G	89.9	Confident	97.1	Very high	80 Å²	80	63 Å²	63	83%	0.825	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	0.2	-178	0	0	0	0	0	114.9	F890 D894	F890-G892 PolarHBondContact O-N 2.87Å; G892-D894 PolarHBondContact O-N 3.1Å
893	M	97.4	Very high	97	Very high	33 Å²	33	61.4 Å²	61.4	16%	0.163	31%	0.312	C	S	.	.			trans	-73.3	118.1	169.4	-174.9	56.3	67.2	0	0	110.4	V734 A738 F890 W895 L898	V734-M893 HydrophobicContact CG1-CE 4.14Å; A738-M893 HydrophobicContact CB-CE 3.85Å; A738-M893 HydrophobicContact CB-CG 4.08Å; A738-M893 HydrophobicContact CB-SD 4.21Å; F890-M893 HydrophobicContact CB-CB 4.25Å; F890-M893 VanDerWaalsContact O-CB 3.31Å; F890-M893 WeakPolarHBondContact O-CB 3.48Å; F890-M893 PolarHBondContact O-N 3.15Å; M893-W895 HydrophobicContact CB-CZ2 4.42Å; M893-W895 HydrophobicContact CG-CD2 4.07Å; M893-W895 HydrophobicContact CG-CE3 4.38Å; M893-W895 HydrophobicContact CG-CZ2 4.2Å; M893-W895 PolarHBondContact O-N 3.37Å; M893-L898 HydrophobicContact CG-CD2 4.48Å; M893-L898 HydrophobicContact SD-CB 4.29Å; M893-L898 HydrophobicContact SD-CD2 3.88Å
894	D	97.3	Very high	96.8	Very high	89 Å²	89	64.1 Å²	64.1	48%	0.476	33%	0.332	S	S	.	.			trans	-85.2	100.5	168	-176	-22.2	0	0	0	108.8	G892 D896 A897 L898	G892-D894 PolarHBondContact O-N 3.1Å; D894-D896 VanDerWaalsContact C-N 3.34Å; D894-D896 PolarHBondContact O-N 2.73Å; D894-D896 PolarHBondContact OD1-N 3.29Å; D894-D896 VanDerWaalsContact OD1-N 3.15Å; D894-A897 HydrophobicContact CB-CB 3.84Å; D894-A897 WeakPolarHBondContact OD1-CB 3.36Å; D894-A897 PolarHBondContact OD1-N 3.47Å; D894-A897 WeakPolarHBondContact OD2-CB 3.35Å; D894-L898 VanDerWaalsContact O-CB 3.27Å; D894-L898 WeakPolarHBondContact O-CB 3.48Å; D894-L898 PolarHBondContact O-N 3.24Å
895	W	98	Very high	96.7	Very high	34 Å²	34	65.4 Å²	65.4	13%	0.129	34%	0.341	C	S	.	.	H	α-helix	trans	-66.7	-33.1	-176.2	-63.6	96.5	0	0	0	113.1	A738 V741 L742 K885 F890 M893 L899	A738-W895 HydrophobicContact CB-CE3 4.45Å; A738-W895 HydrophobicContact CB-CH2 3.81Å; A738-W895 HydrophobicContact CB-CZ3 3.64Å; V741-W895 HydrophobicContact CB-CH2 4.19Å; V741-W895 HydrophobicContact CB-CZ3 4.01Å; V741-W895 HydrophobicContact CG1-CH2 3.93Å; V741-W895 HydrophobicContact CG1-CZ3 3.8Å; L742-W895 HydrophobicContact CD1-CE3 4.11Å; L742-W895 HydrophobicContact CD2-CE3 3.99Å; L742-W895 HydrophobicContact CG-CE3 3.87Å; L742-W895 HydrophobicContact CG-CZ3 4.19Å; K885-W895 HydrophobicContact CB-CD2 4.27Å; K885-W895 HydrophobicContact CB-CH2 4.34Å; K885-W895 HydrophobicContact CB-CZ2 3.71Å; K885-W895 HydrophobicContact CD-CD2 4.31Å; K885-W895 HydrophobicContact CD-CE3 4.35Å; K885-W895 HydrophobicContact CG-CD2 3.89Å; K885-W895 HydrophobicContact CG-CE3 4Å; K885-W895 HydrophobicContact CG-CH2 3.77Å; K885-W895 HydrophobicContact CG-CZ2 3.64Å; K885-W895 HydrophobicContact CG-CZ3 3.93Å; K885-W895 PolarHBondContact O-NE1 3.29Å; F890-W895 HydrophobicContact CB-CH2 4.35Å; F890-W895 HydrophobicContact CB-CZ2 3.59Å; F890-W895 AromaticContact CD1-CH2 3.78Å; F890-W895 HydrophobicContact CD1-CH2 3.78Å; F890-W895 AromaticContact CD1-CZ2 3.9Å; F890-W895 HydrophobicContact CD1-CZ2 3.9Å; F890-W895 HydrophobicContact CD2-CH2 4.12Å; F890-W895 AromaticContact CD2-CZ2 3.95Å; F890-W895 HydrophobicContact CD2-CZ2 3.95Å; F890-W895 HydrophobicContact CE1-CH2 4.03Å; F890-W895 HydrophobicContact CE2-CH2 4.33Å; F890-W895 AromaticContact CG-CH2 3.84Å; F890-W895 HydrophobicContact CG-CH2 3.84Å; F890-W895 AromaticContact CG-CZ2 3.56Å; F890-W895 HydrophobicContact CG-CZ2 3.56Å; F890-W895 HydrophobicContact CZ-CH2 4.3Å; M893-W895 HydrophobicContact CB-CZ2 4.42Å; M893-W895 HydrophobicContact CG-CD2 4.07Å; M893-W895 HydrophobicContact CG-CE3 4.38Å; M893-W895 HydrophobicContact CG-CZ2 4.2Å; M893-W895 PolarHBondContact O-N 3.37Å; W895-L899 WeakPolarHBondContact O-CB 3.42Å; W895-L899 PolarHBondContact O-N 3.07Å
896	D	97.5	Very high	96.4	Very high	111 Å²	111	67 Å²	67	59%	0.594	35%	0.354	S	S	*	.	H	α-helix	trans	-77.6	-40.8	-179.9	-69.1	-37.1	0	0	0	110.7	D894 L898 L899 Q900	D894-D896 VanDerWaalsContact C-N 3.34Å; D894-D896 PolarHBondContact O-N 2.73Å; D894-D896 PolarHBondContact OD1-N 3.29Å; D894-D896 VanDerWaalsContact OD1-N 3.15Å; D896-L898 VanDerWaalsContact C-N 3.33Å; D896-L899 PolarHBondContact O-N 3.28Å; D896-Q900 WeakPolarHBondContact O-CB 3.46Å; D896-Q900 WeakPolarHBondContact O-CG 3.36Å; D896-Q900 PolarHBondContact O-N 2.67Å; D896-Q900 PolarHBondContact O-NE2 2.86Å
897	A	97.5	Very high	96.2	Very high	16 Å²	16	63.9 Å²	63.9	13%	0.132	34%	0.341	C	S	.	.	H	α-helix	trans	-64.7	-37.5	170.9	0	0	0	0	0	111.7	D894 Q900 R901 K902 V903	D894-A897 HydrophobicContact CB-CB 3.84Å; D894-A897 WeakPolarHBondContact OD1-CB 3.36Å; D894-A897 PolarHBondContact OD1-N 3.47Å; D894-A897 WeakPolarHBondContact OD2-CB 3.35Å; A897-Q900 CarbonylContact O-C 3.39Å; A897-Q900 PolarHBondContact O-N 2.75Å; A897-R901 PolarHBondContact O-N 3.37Å; A897-K902 HydrophobicContact CB-CB 4.13Å; A897-K902 WeakPolarHBondContact O-CB 3.44Å; A897-K902 PolarHBondContact O-N 2.88Å; A897-V903 HydrophobicContact CB-CG2 3.92Å
898	L	97.9	Very high	95.9	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-63.9	-50.6	175.4	-177.9	63.1	0	0	0	110.5	F693 F735 A738 L742 F769 M893 D894 D896 Q900 R901 V903	F693-L898 HydrophobicContact CE2-CG 4.14Å; F693-L898 HydrophobicContact CZ-CD1 4.1Å; F693-L898 HydrophobicContact CZ-CG 3.94Å; F693-L898 VanDerWaalsContact CZ-O 3.31Å; F693-L898 WeakPolarHBondContact CZ-O 3.36Å; F735-L898 HydrophobicContact CD2-CD1 4.22Å; F735-L898 HydrophobicContact CE2-CD1 3.6Å; F735-L898 HydrophobicContact CZ-CD1 4.05Å; A738-L898 HydrophobicContact CB-CD2 3.42Å; A738-L898 VanDerWaalsContact CB-CD2 3.42Å; L742-L898 HydrophobicContact CD1-CB 4.33Å; L742-L898 HydrophobicContact CD1-CD2 3.85Å; L742-L898 HydrophobicContact CD1-CG 4.04Å; F769-L898 HydrophobicContact CE1-CD1 4.35Å; M893-L898 HydrophobicContact CG-CD2 4.48Å; M893-L898 HydrophobicContact SD-CB 4.29Å; M893-L898 HydrophobicContact SD-CD2 3.88Å; D894-L898 VanDerWaalsContact O-CB 3.27Å; D894-L898 WeakPolarHBondContact O-CB 3.48Å; D894-L898 PolarHBondContact O-N 3.24Å; D896-L898 VanDerWaalsContact C-N 3.33Å; L898-Q900 PolarHBondContact O-N 3.23Å; L898-R901 WeakPolarHBondContact O-CA 3.47Å; L898-R901 PolarHBondContact O-N 3.32Å; L898-V903 HydrophobicContact CB-CG2 4.1Å; L898-V903 HydrophobicContact CD1-CB 4.15Å
899	L	96.9	Very high	95.6	Very high	69 Å²	69	64 Å²	64	36%	0.361	34%	0.342	S	S	.	.	H	α-helix	trans	-58.6	-33	176.4	-172.8	64.7	0	0	0	112.2	P692 F693 L742 W895 D896 R901	P692-L899 HydrophobicContact CG-CD1 3.87Å; P692-L899 WeakPolarHBondContact CG-O 3.41Å; F693-L899 HydrophobicContact CE2-CD1 4.49Å; L742-L899 HydrophobicContact CD1-CB 4.19Å; L742-L899 HydrophobicContact CD1-CD1 4.47Å; W895-L899 WeakPolarHBondContact O-CB 3.42Å; W895-L899 PolarHBondContact O-N 3.07Å; D896-L899 PolarHBondContact O-N 3.28Å; L899-R901 PolarHBondContact O-N 2.93Å
900	Q	96.8	Very high	95.2	Very high	111 Å²	111	68.9 Å²	68.9	52%	0.519	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	8	173.9	-66.8	168.7	39.9	0	0	114.1	D896 A897 L898 K902	D896-Q900 WeakPolarHBondContact O-CB 3.46Å; D896-Q900 WeakPolarHBondContact O-CG 3.36Å; D896-Q900 PolarHBondContact O-N 2.67Å; D896-Q900 PolarHBondContact O-NE2 2.86Å; A897-Q900 CarbonylContact O-C 3.39Å; A897-Q900 PolarHBondContact O-N 2.75Å; L898-Q900 PolarHBondContact O-N 3.23Å; Q900-K902 HydrophobicContact CB-CD 4.01Å; Q900-K902 HydrophobicContact CB-CG 4.11Å; Q900-K902 PolarHBondContact O-N 2.99Å
901	R	97.1	Very high	94.9	Very high	70 Å²	70	71 Å²	71	26%	0.264	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	29.3	-176.8	-61.5	173.4	67.2	106.9	-3.5	114.2	P692 D765 E767 F769 A897 L898 L899	P692-R901 HydrophobicContact CB-CG 4.14Å; D765-R901 IonicContact OD1-NH2 3.11Å; D765-R901 PolarHBondContact OD1-NH2 3.45Å; D765-R901 IonicContact OD2-CZ 2.84Å; D765-R901 IonicContact OD2-NH1 3.77Å; D765-R901 PolarHBondContact OD2-NH1 2.92Å; D765-R901 IonicContact OD2-NH2 3.61Å; D765-R901 PolarHBondContact OD2-NH2 3.08Å; E767-R901 IonicContact OE2-CZ 3.93Å; E767-R901 IonicContact OE2-NE 3.86Å; E767-R901 PolarHBondContact OE2-NE 2.57Å; E767-R901 IonicContact OE2-NH2 3.84Å; E767-R901 PolarHBondContact OE2-NH2 3.32Å; F769-R901 VanDerWaalsContact CD2-CZ 3.49Å; F769-R901 VanDerWaalsContact CD2-NH2 3.27Å; F769-R901 HydrophobicContact CE1-CB 4.17Å; F769-R901 HydrophobicContact CE1-CG 4.3Å; F769-R901 HydrophobicContact CE2-CB 4.08Å; F769-R901 HydrophobicContact CE2-CG 4.41Å; F769-R901 HydrophobicContact CZ-CB 3.74Å; F769-R901 HydrophobicContact CZ-CG 4.24Å; A897-R901 PolarHBondContact O-N 3.37Å; L898-R901 WeakPolarHBondContact O-CA 3.47Å; L898-R901 PolarHBondContact O-N 3.32Å; L899-R901 PolarHBondContact O-N 2.93Å
902	K	96.4	Very high	94.5	Very high	145 Å²	145	68.6 Å²	68.6	63%	0.63	39%	0.389	S	S	*	.			trans	-90.2	-19.2	179.2	-68.4	173.7	176.3	171.4	0	113.8	A897 Q900	A897-K902 HydrophobicContact CB-CB 4.13Å; A897-K902 WeakPolarHBondContact O-CB 3.44Å; A897-K902 PolarHBondContact O-N 2.88Å; Q900-K902 HydrophobicContact CB-CD 4.01Å; Q900-K902 HydrophobicContact CB-CG 4.11Å; Q900-K902 PolarHBondContact O-N 2.99Å
903	V	96	Very high	94.4	Very high	34 Å²	34	66.6 Å²	66.6	21%	0.206	37%	0.368	C	S	.	.	S	Bend	trans	-78.1	121.2	173.7	-177.8	0	0	0	0	108.3	F735 F769 A897 L898	F735-V903 HydrophobicContact CD2-CG1 4.04Å; F735-V903 HydrophobicContact CE2-CB 4.17Å; F735-V903 HydrophobicContact CE2-CG1 3.76Å; F769-V903 WeakPolarHBondContact CE1-O 3.41Å; F769-V903 WeakPolarHBondContact CZ-O 3.42Å; A897-V903 HydrophobicContact CB-CG2 3.92Å; L898-V903 HydrophobicContact CB-CG2 4.1Å; L898-V903 HydrophobicContact CD1-CB 4.15Å
904	P	94.4	Very high	93.8	Very high	107 Å²	107	72.6 Å²	72.6	70%	0.695	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-68.1	131.1	-176.3	26.9	-34.1	0	0	0	111.3
905	P	95.3	Very high	93.3	Very high	28 Å²	28	72.7 Å²	72.7	18%	0.182	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-62.4	142.2	177	-28.6	38.9	0	0	0	113.4	F735 E767 F769 F907	F735-P905 HydrophobicContact CE1-CB 3.96Å; F735-P905 HydrophobicContact CE1-CG 4.26Å; F735-P905 HydrophobicContact CZ-CB 3.95Å; F735-P905 HydrophobicContact CZ-CG 3.87Å; E767-P905 VanDerWaalsContact O-CG 3.3Å; E767-P905 WeakPolarHBondContact O-CG 3.48Å; F769-P905 HydrophobicContact CD1-CG 4.1Å; F769-P905 HydrophobicContact CD2-CG 3.64Å; F769-P905 HydrophobicContact CE1-CG 3.93Å; F769-P905 HydrophobicContact CE2-CG 3.46Å; F769-P905 VanDerWaalsContact CE2-CG 3.46Å; F769-P905 HydrophobicContact CG-CG 3.98Å; F769-P905 HydrophobicContact CZ-CG 3.61Å; P905-F907 PolarHBondContact O-N 3.02Å
906	P	92.8	Very high	92.7	Very high	66 Å²	66	72.4 Å²	72.4	43%	0.429	39%	0.392	S	S	.	.	S	Bend	trans	-74.4	-11.5	-178.4	31.3	-37	0	0	0	113.6	R732 F735 Y736	R732-P906 HydrophobicContact CB-CB 4.38Å; R732-P906 HydrophobicContact CB-CG 4.19Å; R732-P906 HydrophobicContact CG-CG 4Å; F735-P906 HydrophobicContact CB-CG 4.04Å; F735-P906 HydrophobicContact CD1-CG 3.86Å; F735-P906 HydrophobicContact CG-CG 4.04Å; Y736-P906 HydrophobicContact CE1-CG 4.46Å
907	F	92.7	Very high	92.3	Very high	65 Å²	65	68.5 Å²	68.5	29%	0.285	37%	0.372	S	S	.	.			trans	-152.5	130.5	178.3	166.2	-92.9	0	0	0	108.6	H722 L764 G768 P905 P909	H722-F907 AromaticContact CE1-CE1 3.62Å; H722-F907 AromaticContact CE1-CZ 3.72Å; H722-F907 AromaticContact ND1-CE1 3.55Å; H722-F907 AromaticContact ND1-CZ 3.53Å; L764-F907 HydrophobicContact CD1-CD1 3.84Å; L764-F907 HydrophobicContact CD1-CE1 3.81Å; G768-F907 WeakPolarHBondContact CA-O 3.46Å; P905-F907 PolarHBondContact O-N 3.02Å; F907-P909 HydrophobicContact CE1-CB 4.08Å; F907-P909 HydrophobicContact CZ-CB 4.47Å
908	V	93.3	Very high	91.9	Very high	84 Å²	84	71.4 Å²	71.4	51%	0.509	39%	0.391	S	S	.	.			trans	-111.7	126.1	174.4	-173.6	0	0	0	0	107.6
909	P	90.6	Very high	91.4	Very high	7 Å²	7	72.1 Å²	72.1	5%	0.045	40%	0.395	C	S	.	.			trans	-69.4	140.1	-179.3	28	-33.8	0	0	0	111.5	D765 F907 I911	D765-P909 VanDerWaalsContact O-CG 3.31Å; D765-P909 WeakPolarHBondContact O-CG 3.29Å; F907-P909 HydrophobicContact CE1-CB 4.08Å; F907-P909 HydrophobicContact CZ-CB 4.47Å; P909-I911 HydrophobicContact CG-CD1 4.14Å; P909-I911 PolarHBondContact O-N 3.29Å
910	T	89.8	Confident	91	Very high	110 Å²	110	70 Å²	70	68%	0.675	38%	0.383	S	S	*	.			trans	-71.3	124.2	171.7	-55	0	0	0	0	109.3	N919	T910-N919 PolarHBondContact O-ND2 2.91Å
911	I	90.9	Very high	90.4	Very high	52 Å²	52	67 Å²	67	27%	0.267	37%	0.371	S	S	.	.			trans	-135.2	116.9	179.2	-60.9	167.6	0	0	0	107.9	A715 V766 P909 G913 D916	A715-I911 HydrophobicContact CB-CD1 3.88Å; V766-I911 HydrophobicContact CB-CD1 3.99Å; V766-I911 HydrophobicContact CG1-CD1 3.79Å; P909-I911 HydrophobicContact CG-CD1 4.14Å; P909-I911 PolarHBondContact O-N 3.29Å; I911-G913 WeakPolarHBondContact CG2-O 3.48Å; I911-D916 HydrophobicContact CG2-CB 4.21Å
912	V	86.7	Confident	89.7	Confident	130 Å²	130	67.1 Å²	67.1	79%	0.788	39%	0.386	S	S	*	.			trans	-83.9	-24.1	-174.5	-175	0	0	0	0	112.1	D916	V912-D916 PolarHBondContact N-OD2 2.66Å
913	G	87.3	Confident	89	Confident	37 Å²	37	67 Å²	67	38%	0.381	39%	0.388	S	S	.	.	S	Bend	trans	-174.5	178.7	-179.6	0	0	0	0	0	114.4	I911 E915 D916	I911-G913 WeakPolarHBondContact CG2-O 3.48Å; G913-E915 VanDerWaalsContact C-N 3.3Å; G913-E915 PolarHBondContact O-N 3.07Å; G913-D916 WeakPolarHBondContact O-CB 3.45Å; G913-D916 PolarHBondContact O-N 3.09Å; G913-D916 VanDerWaalsContact O-N 3.14Å
914	K	83.8	Confident	88.6	Confident	159 Å²	159	66.8 Å²	66.8	69%	0.691	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.6	-175.5	-67.2	-173.8	175.8	-173.6	0	114.6	Q656	Q656-K914 HydrophobicContact CG-CB 4.38Å
915	E	86.6	Confident	88.4	Confident	92 Å²	92	63.6 Å²	63.6	43%	0.43	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	12	177.6	-59.7	-171.4	151.6	0	0	112	K632 I634 G913 V917	K632-E915 IonicContact NZ-OE1 3.02Å; K632-E915 PolarHBondContact NZ-OE1 3.03Å; I634-E915 HydrophobicContact CD1-CG 4.07Å; I634-E915 VanDerWaalsContact CD1-OE1 3.3Å; I634-E915 WeakPolarHBondContact CD1-OE1 3.33Å; I634-E915 HydrophobicContact CG2-CB 4.25Å; I634-E915 HydrophobicContact CG2-CG 4.31Å; G913-E915 VanDerWaalsContact C-N 3.3Å; G913-E915 PolarHBondContact O-N 3.07Å; E915-V917 PolarHBondContact O-N 3.09Å
916	D	86.9	Confident	88	Confident	27 Å²	27	66.5 Å²	66.5	14%	0.144	39%	0.39	C	S	.	.			trans	-70.2	125.3	180	-172.5	3.4	0	0	0	110.8	Y713 I911 V912 G913 S918	Y713-D916 PolarHBondContact OH-O 2.66Å; I911-D916 HydrophobicContact CG2-CB 4.21Å; V912-D916 PolarHBondContact N-OD2 2.66Å; G913-D916 WeakPolarHBondContact O-CB 3.45Å; G913-D916 PolarHBondContact O-N 3.09Å; G913-D916 VanDerWaalsContact O-N 3.14Å; D916-S918 VanDerWaalsContact CG-OG 3.3Å; D916-S918 WeakPolarHBondContact OD1-CB 3.12Å; D916-S918 PolarHBondContact OD1-N 3.36Å; D916-S918 PolarHBondContact OD1-OG 3.17Å; D916-S918 PolarHBondContact OD2-OG 3.15Å
917	V	89.6	Confident	87.8	Confident	29 Å²	29	66.1 Å²	66.1	18%	0.176	38%	0.382	C	S	.	.			trans	-122.1	17.5	178.5	-62.5	0	0	0	0	112.1	A635 L637 L647 E915 N919 F920 T925	A635-V917 HydrophobicContact CB-CG1 3.99Å; L637-V917 HydrophobicContact CD2-CB 4.49Å; L637-V917 HydrophobicContact CD2-CG1 3.76Å; L647-V917 HydrophobicContact CD2-CG1 3.64Å; E915-V917 PolarHBondContact O-N 3.09Å; V917-N919 PolarHBondContact O-N 3.28Å; V917-F920 HydrophobicContact CB-CD2 4.15Å; V917-F920 WeakPolarHBondContact O-CB 3.39Å; V917-F920 PolarHBondContact O-N 3.05Å; V917-T925 HydrophobicContact CB-CG2 3.76Å; V917-T925 HydrophobicContact CG2-CG2 3.66Å
918	S	87.6	Confident	87.6	Confident	77 Å²	77	66.4 Å²	66.4	54%	0.538	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.9	179.5	57.6	0	0	0	0	114.4	D916 F920	D916-S918 VanDerWaalsContact CG-OG 3.3Å; D916-S918 WeakPolarHBondContact OD1-CB 3.12Å; D916-S918 PolarHBondContact OD1-N 3.36Å; D916-S918 PolarHBondContact OD1-OG 3.17Å; D916-S918 PolarHBondContact OD2-OG 3.15Å; S918-F920 VanDerWaalsContact C-N 3.27Å; S918-F920 PolarHBondContact O-N 3.09Å
919	N	88.5	Confident	87.4	Confident	16 Å²	16	64.7 Å²	64.7	9%	0.086	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	5.5	172.8	-60.4	-59.4	0	0	0	113.7	A715 G716 T910 V917	A715-N919 PolarHBondContact O-ND2 3.35Å; G716-N919 WeakPolarHBondContact O-CB 3.24Å; T910-N919 PolarHBondContact O-ND2 2.91Å; V917-N919 PolarHBondContact O-N 3.28Å
920	F	87.4	Confident	87.4	Confident	23 Å²	23	66.7 Å²	66.7	10%	0.101	41%	0.405	C	S	.	.	S	Bend	trans	-114.4	159.5	178.6	-64.4	-96.1	0	0	0	111.4	L637 Y713 T714 V917 S918 A922 T925	L637-F920 HydrophobicContact CB-CD1 3.97Å; L637-F920 HydrophobicContact CB-CE1 4.06Å; L637-F920 HydrophobicContact CD1-CE1 4.31Å; L637-F920 HydrophobicContact CD1-CZ 4.43Å; L637-F920 HydrophobicContact CD2-CD1 3.84Å; L637-F920 HydrophobicContact CD2-CD2 3.95Å; L637-F920 HydrophobicContact CD2-CE1 3.9Å; L637-F920 HydrophobicContact CD2-CE2 4.02Å; L637-F920 HydrophobicContact CD2-CG 3.86Å; L637-F920 HydrophobicContact CD2-CZ 3.99Å; L637-F920 HydrophobicContact CG-CD1 4.43Å; L637-F920 HydrophobicContact CG-CE1 4.31Å; Y713-F920 AromaticContact CE2-CE2 3.91Å; Y713-F920 HydrophobicContact CE2-CE2 3.91Å; Y713-F920 AromaticContact CE2-CZ 3.73Å; Y713-F920 HydrophobicContact CE2-CZ 3.73Å; Y713-F920 VanDerWaalsContact OH-CE2 3.31Å; Y713-F920 WeakPolarHBondContact OH-CE2 3.36Å; T714-F920 WeakPolarHBondContact O-CZ 3.16Å; V917-F920 HydrophobicContact CB-CD2 4.15Å; V917-F920 WeakPolarHBondContact O-CB 3.39Å; V917-F920 PolarHBondContact O-N 3.05Å; S918-F920 VanDerWaalsContact C-N 3.27Å; S918-F920 PolarHBondContact O-N 3.09Å; F920-A922 PolarHBondContact O-N 3.44Å; F920-T925 HydrophobicContact CB-CG2 3.77Å
921	D	84.1	Confident	87.2	Confident	49 Å²	49	63.2 Å²	63.2	26%	0.262	38%	0.381	S	S	.	.			trans	-63.6	130.7	-175.6	-150.5	-50.9	0	0	0	112.4	R489 E923 F924 T925	R489-D921 IonicContact CZ-OD2 3.43Å; R489-D921 IonicContact NE-OD2 2.73Å; R489-D921 PolarHBondContact NE-OD2 3.23Å; R489-D921 IonicContact NH2-OD2 2.74Å; D921-E923 PolarHBondContact O-N 2.97Å; D921-E923 PolarHBondContact OD1-N 3.49Å; D921-E923 VanDerWaalsContact OD1-N 3.08Å; D921-F924 HydrophobicContact CB-CD2 3.54Å; D921-F924 HydrophobicContact CB-CE2 3.85Å; D921-F924 HydrophobicContact CB-CG 4.32Å; D921-F924 PolarHBondContact O-N 3.32Å; D921-F924 VanDerWaalsContact O-N 3.1Å; D921-T925 PolarHBondContact O-N 2.69Å; D921-T925 PolarHBondContact O-OG1 2.88Å
922	A	82.3	Confident	86.7	Confident	72 Å²	72	63 Å²	63	60%	0.595	38%	0.383	S	S	*	.	H	α-helix	trans	-66.2	-23.4	177.8	0	0	0	0	0	112.6	F920 F924 T925 A926	F920-A922 PolarHBondContact O-N 3.44Å; A922-F924 VanDerWaalsContact C-N 3.28Å; A922-F924 PolarHBondContact O-N 3.11Å; A922-T925 WeakPolarHBondContact CA-OG1 3.31Å; A922-A926 VanDerWaalsContact O-CB 3.3Å; A922-A926 WeakPolarHBondContact O-CB 3.45Å; A922-A926 PolarHBondContact O-N 2.62Å
923	E	83.4	Confident	86.2	Confident	143 Å²	143	60.8 Å²	60.8	67%	0.668	37%	0.371	S	S	*	.	H	α-helix	trans	-61	-39.5	171.2	-174	178.2	168.7	0	0	111.1	D921	D921-E923 PolarHBondContact O-N 2.97Å; D921-E923 PolarHBondContact OD1-N 3.49Å; D921-E923 VanDerWaalsContact OD1-N 3.08Å
924	F	86.6	Confident	85.2	Confident	29 Å²	29	60.6 Å²	60.6	13%	0.127	36%	0.363	C	S	.	.	H	α-helix	trans	-85.2	-48.8	-179.2	-53.2	-41.6	0	0	0	111.9	V636 R639 D921 A922 A926 E927	V636-F924 WeakPolarHBondContact CB-O 3.1Å; V636-F924 HydrophobicContact CG1-CB 4.36Å; V636-F924 CarbonylContact O-C 3.5Å; R639-F924 HydrophobicContact CB-CD1 4.18Å; R639-F924 HydrophobicContact CB-CE1 4.07Å; D921-F924 HydrophobicContact CB-CD2 3.54Å; D921-F924 HydrophobicContact CB-CE2 3.85Å; D921-F924 HydrophobicContact CB-CG 4.32Å; D921-F924 PolarHBondContact O-N 3.32Å; D921-F924 VanDerWaalsContact O-N 3.1Å; A922-F924 VanDerWaalsContact C-N 3.28Å; A922-F924 PolarHBondContact O-N 3.11Å; F924-A926 PolarHBondContact O-N 3.01Å; F924-A926 VanDerWaalsContact O-N 3.1Å; F924-E927 WeakPolarHBondContact O-CB 3.22Å; F924-E927 PolarHBondContact O-N 2.87Å
925	T	89.3	Confident	84.1	Confident	41 Å²	41	63.8 Å²	63.8	25%	0.252	37%	0.371	S	S	.	.	H	α-helix	trans	-65.8	-18.4	-173.2	57.4	0	0	0	0	113.7	V636 V917 F920 D921 A922	V636-T925 WeakPolarHBondContact O-CA 3.37Å; V636-T925 PolarHBondContact O-N 3.45Å; V917-T925 HydrophobicContact CB-CG2 3.76Å; V917-T925 HydrophobicContact CG2-CG2 3.66Å; F920-T925 HydrophobicContact CB-CG2 3.77Å; D921-T925 PolarHBondContact O-N 2.69Å; D921-T925 PolarHBondContact O-OG1 2.88Å; A922-T925 WeakPolarHBondContact CA-OG1 3.31Å
926	A	86.9	Confident	83	Confident	89 Å²	89	66.9 Å²	66.9	74%	0.736	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.7	170.2	0	0	0	0	0	114.7	A922 F924	A922-A926 VanDerWaalsContact O-CB 3.3Å; A922-A926 WeakPolarHBondContact O-CB 3.45Å; A922-A926 PolarHBondContact O-N 2.62Å; F924-A926 PolarHBondContact O-N 3.01Å; F924-A926 VanDerWaalsContact O-N 3.1Å
927	E	88.9	Confident	81.6	Confident	57 Å²	57	77.6 Å²	77.6	27%	0.266	42%	0.424	S	S	.	.	S	Bend	trans	-70.2	146.8	172.9	-76	-158.8	-154.9	0	0	111.3	V636 R639 K644 F924	V636-E927 HydrophobicContact CB-CB 4.2Å; V636-E927 HydrophobicContact CG2-CB 3.82Å; R639-E927 IonicContact NH1-OE1 2.97Å; R639-E927 PolarHBondContact NH1-OE1 3.37Å; R639-E927 IonicContact NH1-OE2 3.75Å; K644-E927 VanDerWaalsContact CE-OE2 3.24Å; K644-E927 WeakPolarHBondContact CE-OE2 2.98Å; K644-E927 IonicContact NZ-OE2 3.9Å; K644-E927 PolarHBondContact NZ-OE2 3Å; F924-E927 WeakPolarHBondContact O-CB 3.22Å; F924-E927 PolarHBondContact O-N 2.87Å
928	A	88.7	Confident	80.4	Confident	71 Å²	71	83.5 Å²	83.5	59%	0.587	44%	0.443	S	S	*	.			trans	-61.4	134.1	174.4	0	0	0	0	0	111.8	V636 K644 A930	V636-A928 WeakPolarHBondContact CG2-O 3.1Å; K644-A928 PolarHBondContact NZ-O 3.22Å; A928-A930 VanDerWaalsContact C-N 3.26Å; A928-A930 PolarHBondContact O-N 3.36Å
929	P	90.4	Very high	79.5	Confident	48 Å²	48	84.2 Å²	84.2	31%	0.312	45%	0.453	S	S	.	.	S	Bend	trans	-77.4	72.3	-177.6	33.8	-38.4	0	0	0	111.5	L633 I634 L646	L633-P929 HydrophobicContact CB-CB 4.1Å; L633-P929 VanDerWaalsContact CB-O 3.31Å; L633-P929 WeakPolarHBondContact CB-O 3.32Å; L633-P929 VanDerWaalsContact CD1-O 3.32Å; L633-P929 WeakPolarHBondContact CD1-O 3.1Å; I634-P929 WeakPolarHBondContact O-CG 3.06Å; L646-P929 HydrophobicContact CD2-CB 4.32Å
930	A	89.1	Confident	79.2	Confident	50 Å²	50	85 Å²	85	41%	0.413	46%	0.457	S	S	.	.	S	Bend	trans	-137.4	151.2	180	0	0	0	0	0	111.8	A928 T932	A928-A930 VanDerWaalsContact C-N 3.26Å; A928-A930 PolarHBondContact O-N 3.36Å; A930-T932 PolarHBondContact O-N 2.96Å
931	L	85.8	Confident	79.2	Confident	36 Å²	36	86.4 Å²	86.4	19%	0.188	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-62.2	124.9	170.1	-66.6	-174.5	0	0	0	110	L628 L646 A661	L628-L931 HydrophobicContact CD1-CD1 4.17Å; L628-L931 HydrophobicContact CD1-CG 4.49Å; L628-L931 HydrophobicContact CD2-CD1 3.48Å; L628-L931 VanDerWaalsContact CD2-CD1 3.48Å; L628-L931 HydrophobicContact CD2-CG 4.17Å; L628-L931 HydrophobicContact CG-CD1 4.47Å; L646-L931 HydrophobicContact CD1-CD2 3.8Å; A661-L931 HydrophobicContact CB-CD2 3.35Å
932	T	80.9	Confident	79.3	Confident	48 Å²	48	94.7 Å²	94.7	29%	0.294	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-73.1	124.9	175.8	-48.6	0	0	0	0	109.5	K663 H706 A930	K663-T932 WeakPolarHBondContact CE-O 3.49Å; H706-T932 PolarHBondContact NE2-O 3.27Å; A930-T932 PolarHBondContact O-N 2.96Å
933	P	75.3	Confident	79.7	Confident	84 Å²	84	98 Å²	98	55%	0.545	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-65.4	158.5	176.1	26.9	-34.3	0	0	0	111.6	K663	K663-P933 WeakPolarHBondContact CE-O 3.46Å; K663-P933 PolarHBondContact NZ-O 2.91Å
934	P	66.7	Low	80	Confident	33 Å²	33	92.4 Å²	92.4	21%	0.214	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-53.1	146	168.7	-26.3	35.8	0	0	0	112	E705 E936	E705-P934 HydrophobicContact CB-CG 4.3Å; E705-P934 HydrophobicContact CG-CG 4.39Å; E705-P934 WeakPolarHBondContact OE2-CD 3.43Å; P934-E936 VanDerWaalsContact C-N 3.32Å; P934-E936 WeakPolarHBondContact CB-O 3.29Å
935	R	62.1	Low	80.2	Confident	226 Å²	226	93.2 Å²	93.2	85%	0.853	48%	0.477	S	S	*	.	S	Bend	trans	-66.7	-36.8	177.9	-86.7	-177	167.8	174.1	-3.7	111.9
936	E	62.1	Low	80.3	Confident	157 Å²	157	96 Å²	96	73%	0.734	49%	0.49	S	S	*	.	S	Bend	trans	-116.6	137.9	175.2	-67.6	174.7	-168.6	0	0	108.9	P934 R938	P934-E936 VanDerWaalsContact C-N 3.32Å; P934-E936 WeakPolarHBondContact CB-O 3.29Å; E936-R938 PolarHBondContact O-N 3.1Å
937	R	57.8	Low	80.5	Confident	252 Å²	252	96.8 Å²	96.8	95%	0.951	48%	0.475	S	S	*	.			trans	-76.3	51.6	173.3	-63.6	-172.4	-173.6	-178.8	2.6	111.6	A939	R937-A939 PolarHBondContact O-N 3.23Å
938	R	64.8	Low	80.7	Confident	153 Å²	153	94.1 Å²	94.1	58%	0.577	46%	0.462	S	S	*	.			trans	-69.8	97.7	165.6	178.9	173.7	169.7	166.1	-6.4	107.3	E936 I940 E944	E936-R938 PolarHBondContact O-N 3.1Å; R938-I940 PolarHBondContact O-N 3.04Å; R938-I940 VanDerWaalsContact O-N 3.14Å; R938-E944 IonicContact CZ-OE1 2.82Å; R938-E944 IonicContact NE-OE1 3.63Å; R938-E944 IonicContact NH2-OE1 3.86Å; R938-E944 PolarHBondContact NH2-OE1 3.33Å
939	A	68.6	Low	80.8	Confident	92 Å²	92	97.5 Å²	97.5	76%	0.76	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-59	117.7	172.6	0	0	0	0	0	108.8	R937 S941	R937-A939 PolarHBondContact O-N 3.23Å; A939-S941 PolarHBondContact O-N 2.89Å
940	I	81.4	Confident	80.9	Confident	33 Å²	33	100.4 Å²	100.4	17%	0.169	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-68.7	119.1	179.8	-56	-178.5	0	0	0	107.5	K664 R938 E944 Q945	K664-I940 HydrophobicContact CB-CD1 3.29Å; K664-I940 HydrophobicContact CD-CD1 4.38Å; K664-I940 HydrophobicContact CG-CD1 4.47Å; R938-I940 PolarHBondContact O-N 3.04Å; R938-I940 VanDerWaalsContact O-N 3.14Å; I940-E944 HydrophobicContact CG2-CB 3.44Å; I940-E944 VanDerWaalsContact CG2-CB 3.44Å; I940-Q945 HydrophobicContact CG2-CG 3.97Å
941	S	87.4	Confident	81	Confident	52 Å²	52	98 Å²	98	36%	0.364	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-64	159.2	-178.9	67.6	0	0	0	0	111.2	A939 K943 E944 Q945	A939-S941 PolarHBondContact O-N 2.89Å; S941-K943 PolarHBondContact O-N 3.25Å; S941-E944 VanDerWaalsContact CB-OE2 3.23Å; S941-E944 WeakPolarHBondContact CB-OE2 3.41Å; S941-E944 PolarHBondContact N-OE2 2.96Å; S941-E944 CarbonylContact O-C 3.46Å; S941-E944 PolarHBondContact O-N 3.45Å; S941-E944 VanDerWaalsContact OG-CD 3.28Å; S941-E944 WeakPolarHBondContact OG-CG 3.36Å; S941-E944 PolarHBondContact OG-N 3.43Å; S941-E944 PolarHBondContact OG-OE2 3.28Å; S941-Q945 PolarHBondContact O-N 3.27Å
942	R	87.7	Confident	81.3	Confident	222 Å²	222	99.3 Å²	99.3	84%	0.838	46%	0.464	S	S	*	.	H	α-helix	trans	-54.4	-42.2	177.8	-68.6	-176	-179	174.3	0.1	112	E944 Q945 D946	R942-E944 VanDerWaalsContact C-N 3.33Å; R942-E944 PolarHBondContact O-N 3.24Å; R942-Q945 WeakPolarHBondContact O-CA 3.49Å; R942-Q945 WeakPolarHBondContact O-CB 3.5Å; R942-Q945 PolarHBondContact O-N 3.36Å; R942-D946 VanDerWaalsContact O-CG 3.22Å; R942-D946 PolarHBondContact O-N 3.12Å
943	K	89.8	Confident	81.8	Confident	142 Å²	142	99.6 Å²	99.6	62%	0.617	46%	0.46	S	S	*	.	H	α-helix	trans	-60.4	-39.1	175.7	-174.8	-179.3	176	-175.8	0	112.9	S941 D946 Y947	S941-K943 PolarHBondContact O-N 3.25Å; K943-D946 PolarHBondContact O-N 2.97Å; K943-Y947 HydrophobicContact CG-CE1 4.37Å; K943-Y947 WeakPolarHBondContact O-CD1 3.44Å; K943-Y947 WeakPolarHBondContact O-CE1 3.44Å
944	E	89.7	Confident	82.4	Confident	25 Å²	25	98.6 Å²	98.6	12%	0.117	45%	0.452	C	S	.	.	H	α-helix	trans	-75.3	-23	175.6	-67.6	160.5	132.4	0	0	112.4	V668 R938 I940 S941 R942 Y947 F948	V668-E944 HydrophobicContact CG1-CB 4.45Å; V668-E944 HydrophobicContact CG1-CG 3.99Å; V668-E944 HydrophobicContact CG2-CB 4.47Å; R938-E944 IonicContact CZ-OE1 2.82Å; R938-E944 IonicContact NE-OE1 3.63Å; R938-E944 IonicContact NH2-OE1 3.86Å; R938-E944 PolarHBondContact NH2-OE1 3.33Å; I940-E944 HydrophobicContact CG2-CB 3.44Å; I940-E944 VanDerWaalsContact CG2-CB 3.44Å; S941-E944 VanDerWaalsContact CB-OE2 3.23Å; S941-E944 WeakPolarHBondContact CB-OE2 3.41Å; S941-E944 PolarHBondContact N-OE2 2.96Å; S941-E944 CarbonylContact O-C 3.46Å; S941-E944 PolarHBondContact O-N 3.45Å; S941-E944 VanDerWaalsContact OG-CD 3.28Å; S941-E944 WeakPolarHBondContact OG-CG 3.36Å; S941-E944 PolarHBondContact OG-N 3.43Å; S941-E944 PolarHBondContact OG-OE2 3.28Å; R942-E944 VanDerWaalsContact C-N 3.33Å; R942-E944 PolarHBondContact O-N 3.24Å; E944-Y947 HydrophobicContact CB-CD2 4.41Å; E944-Y947 HydrophobicContact CB-CE2 4.42Å; E944-Y947 HydrophobicContact CG-CE2 4.18Å; E944-Y947 WeakPolarHBondContact O-CB 3.45Å; E944-F948 VanDerWaalsContact O-CD2 3.3Å; E944-F948 WeakPolarHBondContact O-CD2 3.48Å; E944-F948 VanDerWaalsContact O-CE2 3.31Å; E944-F948 WeakPolarHBondContact O-CE2 3.33Å
945	Q	91	Very high	83.2	Confident	47 Å²	47	97.3 Å²	97.3	22%	0.22	44%	0.444	C	S	.	.	H	α-helix	trans	-73.5	-37.9	169.5	-66	-71.5	-3.5	0	0	111.7	P704 I940 S941 R942 Y947 F948	P704-Q945 PolarHBondContact O-NE2 3.21Å; I940-Q945 HydrophobicContact CG2-CG 3.97Å; S941-Q945 PolarHBondContact O-N 3.27Å; R942-Q945 WeakPolarHBondContact O-CA 3.49Å; R942-Q945 WeakPolarHBondContact O-CB 3.5Å; R942-Q945 PolarHBondContact O-N 3.36Å; Q945-Y947 PolarHBondContact O-N 3.25Å; Q945-Y947 VanDerWaalsContact O-N 3.12Å; Q945-F948 PolarHBondContact O-N 3Å
946	D	92.1	Very high	83.7	Confident	99 Å²	99	94.7 Å²	94.7	53%	0.529	45%	0.447	S	S	.	.	H	α-helix	trans	-59.7	-23.7	178.9	-63.4	-34	0	0	0	112.5	R942 K943 F948 K949	R942-D946 VanDerWaalsContact O-CG 3.22Å; R942-D946 PolarHBondContact O-N 3.12Å; K943-D946 PolarHBondContact O-N 2.97Å; D946-F948 PolarHBondContact O-N 3.36Å; D946-K949 WeakPolarHBondContact O-CB 3.28Å; D946-K949 VanDerWaalsContact O-CG 3.31Å; D946-K949 WeakPolarHBondContact O-CG 3.45Å; D946-K949 PolarHBondContact O-N 3.48Å
947	Y	91.1	Very high	83.7	Confident	106 Å²	106	91.6 Å²	91.6	42%	0.416	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.5	171.2	-62.4	-13.3	0	0	0	113.7	V668 V673 M677 K943 E944 Q945	V668-Y947 HydrophobicContact CG2-CD2 4.47Å; V673-Y947 HydrophobicContact CG2-CD2 4.28Å; M677-Y947 VanDerWaalsContact CE-O 3.23Å; M677-Y947 WeakPolarHBondContact CE-O 3.4Å; K943-Y947 HydrophobicContact CG-CE1 4.37Å; K943-Y947 WeakPolarHBondContact O-CD1 3.44Å; K943-Y947 WeakPolarHBondContact O-CE1 3.44Å; E944-Y947 HydrophobicContact CB-CD2 4.41Å; E944-Y947 HydrophobicContact CB-CE2 4.42Å; E944-Y947 HydrophobicContact CG-CE2 4.18Å; E944-Y947 WeakPolarHBondContact O-CB 3.45Å; Q945-Y947 PolarHBondContact O-N 3.25Å; Q945-Y947 VanDerWaalsContact O-N 3.12Å
948	F	93.2	Very high	83.4	Confident	0 Å²	0	82 Å²	82	0%	0	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	7.3	-179.7	-55.8	-80.5	0	0	0	113.2	K664 I667 V668 V673 L676 Q702 V707 E944 Q945 D946 D950 F951	K664-F948 HydrophobicContact CB-CE2 3.94Å; K664-F948 HydrophobicContact CB-CZ 4.01Å; K664-F948 HydrophobicContact CD-CD2 3.93Å; K664-F948 HydrophobicContact CD-CE2 4.13Å; K664-F948 HydrophobicContact CD-CG 4.28Å; K664-F948 HydrophobicContact CG-CD1 4.4Å; K664-F948 HydrophobicContact CG-CD2 4.08Å; K664-F948 HydrophobicContact CG-CE1 4.21Å; K664-F948 HydrophobicContact CG-CE2 3.87Å; K664-F948 HydrophobicContact CG-CG 4.34Å; K664-F948 HydrophobicContact CG-CZ 3.94Å; I667-F948 HydrophobicContact CB-CZ 4.44Å; I667-F948 HydrophobicContact CD1-CE1 4.49Å; I667-F948 HydrophobicContact CG2-CE1 4.2Å; I667-F948 HydrophobicContact CG2-CZ 4.2Å; V668-F948 HydrophobicContact CG2-CE2 3.75Å; V668-F948 HydrophobicContact CG2-CZ 3.82Å; V673-F948 HydrophobicContact CG2-CE1 4.41Å; V673-F948 HydrophobicContact CG2-CZ 4.12Å; L676-F948 HydrophobicContact CD2-CD1 3.75Å; L676-F948 HydrophobicContact CD2-CE1 3.68Å; Q702-F948 PolarHBondContact NE2-O 3.24Å; V707-F948 HydrophobicContact CG1-CD1 3.81Å; V707-F948 HydrophobicContact CG1-CE1 4.31Å; V707-F948 HydrophobicContact CG1-CG 4.36Å; E944-F948 VanDerWaalsContact O-CD2 3.3Å; E944-F948 WeakPolarHBondContact O-CD2 3.48Å; E944-F948 VanDerWaalsContact O-CE2 3.31Å; E944-F948 WeakPolarHBondContact O-CE2 3.33Å; Q945-F948 PolarHBondContact O-N 3Å; D946-F948 PolarHBondContact O-N 3.36Å; F948-D950 PolarHBondContact O-N 3.28Å; F948-F951 HydrophobicContact CB-CB 4.49Å; F948-F951 WeakPolarHBondContact O-CB 3.42Å; F948-F951 PolarHBondContact O-N 3.42Å
949	K	90.6	Very high	84.3	Confident	143 Å²	143	78.5 Å²	78.5	62%	0.622	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-36.4	-173.7	75.2	-173.5	-172.3	177.8	0	113.4	D946	D946-K949 WeakPolarHBondContact O-CB 3.28Å; D946-K949 VanDerWaalsContact O-CG 3.31Å; D946-K949 WeakPolarHBondContact O-CG 3.45Å; D946-K949 PolarHBondContact O-N 3.48Å
950	D	90.8	Very high	85.2	Confident	108 Å²	108	77.8 Å²	77.8	58%	0.578	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	14.5	-177.4	-54.3	-49.2	0	0	0	112.3	K680 F948	K680-D950 PolarHBondContact NZ-O 3.02Å; F948-D950 PolarHBondContact O-N 3.28Å
951	F	93	Very high	85.4	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	39%	0.39	C	S	.	.			trans	-74.8	-37.9	-177.7	-175.7	-99.9	0	0	0	113.2	L676 M677 K680 C700 F701 Q702 V707 F709 F948	L676-F951 HydrophobicContact CD1-CE2 4.06Å; L676-F951 HydrophobicContact CD2-CD2 3.77Å; L676-F951 HydrophobicContact CD2-CE2 3.82Å; L676-F951 HydrophobicContact CG-CD2 4.18Å; L676-F951 HydrophobicContact CG-CE2 3.86Å; M677-F951 HydrophobicContact CE-CB 4.12Å; M677-F951 HydrophobicContact SD-CD2 4.3Å; K680-F951 WeakPolarHBondContact CD-O 3.25Å; K680-F951 WeakPolarHBondContact CE-O 3.35Å; K680-F951 VanDerWaalsContact NZ-C 3.29Å; K680-F951 PolarHBondContact NZ-O 3.1Å; C700-F951 HydrophobicContact CB-CD1 4.01Å; C700-F951 HydrophobicContact CB-CE1 3.57Å; C700-F951 HydrophobicContact CB-CZ 3.9Å; C700-F951 VanDerWaalsContact CB-O 3.23Å; C700-F951 WeakPolarHBondContact CB-O 3.34Å; F701-F951 WeakPolarHBondContact O-CE1 3.19Å; Q702-F951 HydrophobicContact CB-CD1 4.39Å; V707-F951 HydrophobicContact CB-CD1 4.03Å; V707-F951 HydrophobicContact CB-CE1 3.66Å; V707-F951 HydrophobicContact CB-CE2 4.19Å; V707-F951 HydrophobicContact CB-CG 4.45Å; V707-F951 HydrophobicContact CB-CZ 3.76Å; V707-F951 HydrophobicContact CG1-CD1 3.96Å; V707-F951 HydrophobicContact CG1-CD2 4.4Å; V707-F951 HydrophobicContact CG1-CE1 4.13Å; V707-F951 HydrophobicContact CG1-CG 4.11Å; V707-F951 HydrophobicContact CG1-CZ 4.44Å; V707-F951 HydrophobicContact CG2-CZ 4.45Å; F709-F951 HydrophobicContact CD1-CZ 4.19Å; F709-F951 HydrophobicContact CD2-CZ 4.22Å; F709-F951 AromaticContact CE1-CE2 3.89Å; F709-F951 HydrophobicContact CE1-CE2 3.89Å; F709-F951 AromaticContact CE1-CZ 3.93Å; F709-F951 HydrophobicContact CE1-CZ 3.93Å; F709-F951 HydrophobicContact CE2-CE2 4.1Å; F709-F951 AromaticContact CE2-CZ 3.98Å; F709-F951 HydrophobicContact CE2-CZ 3.98Å; F709-F951 HydrophobicContact CG-CZ 4.33Å; F709-F951 AromaticContact CZ-CE2 3.63Å; F709-F951 HydrophobicContact CZ-CE2 3.63Å; F709-F951 AromaticContact CZ-CZ 3.84Å; F709-F951 HydrophobicContact CZ-CZ 3.84Å; F948-F951 HydrophobicContact CB-CB 4.49Å; F948-F951 WeakPolarHBondContact O-CB 3.42Å; F948-F951 PolarHBondContact O-N 3.42Å
952	D	91.8	Very high	85.2	Confident	64 Å²	64	81.9 Å²	81.9	34%	0.342	39%	0.392	S	S	.	.			trans	-63.2	140.1	-174.1	-68.7	15.8	0	0	0	111.2	K680 C700 Q702	K680-D952 PolarHBondContact NZ-O 3.48Å; C700-D952 WeakPolarHBondContact O-CA 3.32Å; Q702-D952 VanDerWaalsContact CG-OD1 3.32Å; Q702-D952 WeakPolarHBondContact CG-OD1 3.27Å; Q702-D952 PolarHBondContact N-OD1 3.01Å; Q702-D952 PolarHBondContact NE2-OD1 3.1Å
953	Y	90.8	Very high	85.1	Confident	54 Å²	54	73.2 Å²	73.2	21%	0.212	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	147.5	-176.7	167.8	-98.2	0	0	0	109.7	E684 N687 L697 A699 C700	E684-Y953 HydrophobicContact CG-CD2 4.18Å; E684-Y953 HydrophobicContact CG-CE1 4.44Å; E684-Y953 HydrophobicContact CG-CE2 3.91Å; E684-Y953 VanDerWaalsContact OE1-CD2 3.28Å; E684-Y953 WeakPolarHBondContact OE1-CD2 3.43Å; N687-Y953 PolarHBondContact ND2-OH 3.23Å; L697-Y953 HydrophobicContact CD2-CD1 3.79Å; L697-Y953 HydrophobicContact CD2-CE1 3.95Å; A699-Y953 CarbonylContact C-O 3.25Å; A699-Y953 VanDerWaalsContact CA-O 3.32Å; A699-Y953 WeakPolarHBondContact CA-O 3.49Å; A699-Y953 WeakPolarHBondContact CB-O 3.43Å; C700-Y953 PolarHBondContact N-O 3.28Å; C700-Y953 PolarHBondContact O-N 3.06Å; C700-Y953 VanDerWaalsContact O-O 3.04Å
954	V	87.8	Confident	84.8	Confident	63 Å²	63	68.6 Å²	68.6	38%	0.382	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	123.4	173.5	-175.3	0	0	0	0	107.1	L626 C958	L626-V954 HydrophobicContact CD1-CG1 4.26Å; L626-V954 HydrophobicContact CD1-CG2 4.1Å; V954-C958 HydrophobicContact CG1-CB 3.44Å; V954-C958 VanDerWaalsContact CG1-CB 3.44Å
955	S	83.1	Confident	84.4	Confident	6 Å²	6	71.7 Å²	71.7	4%	0.042	36%	0.363	C	S	.	.			trans	-70.5	154.8	177.3	-172.8	0	0	0	0	111	L697 F698 L957 C958	L697-S955 WeakPolarHBondContact O-CB 3.33Å; F698-S955 WeakPolarHBondContact O-CB 3.37Å; F698-S955 PolarHBondContact O-N 3.37Å; S955-L957 PolarHBondContact O-N 3.22Å; S955-C958 VanDerWaalsContact O-CB 3.3Å; S955-C958 WeakPolarHBondContact O-CB 3.49Å; S955-C958 PolarHBondContact O-N 2.92Å; S955-C958 VanDerWaalsContact O-N 3.11Å
956	D	73.4	Confident	83.9	Confident	170 Å²	170	73.6 Å²	73.6	91%	0.909	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-9.7	171.2	-70.2	-40.5	0	0	0	112.8	C958	D956-C958 PolarHBondContact O-N 3.33Å
957	L	61.3	Low	83.3	Confident	92 Å²	92	71.5 Å²	71.5	48%	0.482	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-3.4	170.9	-62	172.4	0	0	0	114.5	F698 S955	F698-L957 HydrophobicContact CD2-CB 4.4Å; F698-L957 WeakPolarHBondContact CE2-O 3.48Å; S955-L957 PolarHBondContact O-N 3.22Å
958	C	52.1	Low	82.5	Confident	52 Å²	52	68.4 Å²	68.4	35%	0.351	36%	0.356	S	S	.	.			trans	-108.1	0	-169.2	-177.6	0	0	0	0	115.6	R623 F698 V954 S955 D956	R623-C958 PolarHBondContact NH2-O 3.14Å; F698-C958 HydrophobicContact CD2-CB 4.43Å; F698-C958 HydrophobicContact CE1-CB 4.1Å; F698-C958 HydrophobicContact CE2-CB 3.73Å; F698-C958 HydrophobicContact CZ-CB 3.54Å; F698-C958 WeakPolarHBondContact CZ-SG 3.37Å; V954-C958 HydrophobicContact CG1-CB 3.44Å; V954-C958 VanDerWaalsContact CG1-CB 3.44Å; S955-C958 VanDerWaalsContact O-CB 3.3Å; S955-C958 WeakPolarHBondContact O-CB 3.49Å; S955-C958 PolarHBondContact O-N 2.92Å; S955-C958 VanDerWaalsContact O-N 3.11Å; D956-C958 PolarHBondContact O-N 3.33Å

Retrieved 958 of 958 residues in 1177.5 ms (Link to these results)

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