X5M5Q5_CAEEL Loading...

PDZ domain-containing protein

AlphaFold DB , UniProt , Accession X5M5Q5, Species CAEEL (Caenorhabditis elegans), Gene afd-1, Length 1,145 aa.

						>X5M5Q5_CAEEL|X5M5Q5|afd-1
MSGSSVSSSRQEDLMMHSNNNILPPYSTKSAQEPLQLPLSIQIGDYNVWDFLAEVMSNRAATSSEMSTFRLSPAYSLYLALRSFHTHNKPYSVQFFSRIESNFKQIAQECSSKDDLIFWLANASEFNHLVERDTELKASRYGKISVEIERIFRRLVAVLQSVIRPAARALLDIHLNDHDATGDVIHLLDTTMRQARICGLNAALTIQLCGHLLHMVNAFVFNSLVSVNLPAAQLNTRLGKCLQYRIESIHRFCERMGVEMAAECHLDRSRQAANLLATQKNDVAALGSTCYKLNSLQVVHILSGFEPDDGEIPCDDDVVDRICRLAEKQADKLTLEDGQRVTLEESDELNLPFLIPQDGYFVEQFRTVPDGLWQYLQQLQHRRLCHTVSLTPAPPAAMTHSMHAMHIGASDAHYHQHQHQQQQNPIVRSVSQTTLTSIPTTQFGDSFGSAVSDTISKVTLRKNGGGIGLSIVAAQGVGDRQMGIYVKKVVEGTPAAHDGRLETGDQLLSVNGHSLIGISQEDAARLMTQSGNEVHFDVRKRAAHRNGLSNWLGSQTPTTSNFIAPSPSTVPPPSYSHVGRTPSYDGQPPPSYNHRNGGASGAGGSSGRNSAFVAPLSNSSSNASSSHMQQHYAHHNMMHNGNLSAAPGAPAGDPKHYRSSSASDLQHDPNASFSQSSMTGSARSSVFDKLPSHYRHSTRPTVIQPTRPSAQSPSALRKAAAASPVSNLYRPTSASNLFAPPRNSGGLVGYSSNAARESTQDIHRALNDLELNSPLARSTPNEEYRIPPPRVPTVTSTSSNYAPLHSIRPASMYGYQSPSSSTTVIPAPKGVASSSNNTSPRVNVTLGGALSSSRSHNSLSQEPAIVIRPVDLNMPKATPPASIRGAVPTAITQALQLQPNGGGAVLRQVRPASGLRERLQDADVRNLEKTNTALMSYEAVNEELDRLDAKQNTMTIDEQRRYRELLNVVAEQSRARKLLSEIRSPPTSYQEREIPIHVQKEQQQHRRETVIDDIPHSSSSVENVSPVSPPESRKVQFIDEVVQYQTPTSGANHAFFDDVPVLDSPGIVGTNEIYRDPRQRRLNELQDRNRSSENGAADGAKLGFRDKQRLFARQIGEDTAPRQRMNESSAQRLIETDIAATPQKP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.9	Very low	28.3	Very low	235 Å²	235	130 Å²	130	100%	1.158	78%	0.784	S	S	*	*				0	163.6	0	-63.3	171.6	74.4	0	0	108.1
2	S	27.8	Very low	28.3	Very low	120 Å²	120	132.7 Å²	132.7	84%	0.839	78%	0.782	S	S	*	*			trans	16.8	135.4	155.7	53.1	0	0	0	0	120.7
3	G	28	Very low	28.2	Very low	68 Å²	68	132.2 Å²	132.2	70%	0.701	77%	0.774	S	S	*	*			cis	160.1	152.4	-3.2	0	0	0	0	0	114
4	S	29.7	Very low	28.1	Very low	114 Å²	114	134.6 Å²	134.6	80%	0.797	78%	0.78	S	S	*	*			trans	38.8	139.9	140.4	-47.6	0	0	0	0	124.3
5	S	29.9	Very low	27.9	Very low	113 Å²	113	135.9 Å²	135.9	79%	0.79	78%	0.779	S	S	*	*			trans	84.4	154.5	141.4	87.5	0	0	0	0	118.6
6	V	29.3	Very low	27.8	Very low	125 Å²	125	138.8 Å²	138.8	76%	0.758	79%	0.786	S	S	*	*			cis	-170	165.9	-14.6	125.5	0	0	0	0	109.9
7	S	27.3	Very low	27.9	Very low	112 Å²	112	139.8 Å²	139.8	78%	0.783	78%	0.783	S	S	*	*			trans	69.9	156.6	158.9	63.7	0	0	0	0	120.8
8	S	26.8	Very low	27.8	Very low	102 Å²	102	138.9 Å²	138.9	71%	0.713	79%	0.787	S	S	*	*			cis	-171.3	142.8	-25.1	-179.7	0	0	0	0	114.1
9	S	26.7	Very low	27.8	Very low	93 Å²	93	139.7 Å²	139.7	65%	0.65	79%	0.789	S	S	*	*			trans	61.9	142.8	140.9	62.2	0	0	0	0	125.8
10	R	29.2	Very low	27.8	Very low	211 Å²	211	140.5 Å²	140.5	80%	0.796	79%	0.791	S	S	*	*			trans	80.6	126.5	156.8	-72.2	167.6	173.7	173.7	-2.5	117.8
11	Q	26.4	Very low	27.8	Very low	137 Å²	137	141.8 Å²	141.8	64%	0.64	80%	0.796	S	S	*	*			cis	82.6	141.9	44.8	-68.8	158.9	-95.9	0	0	112.2
12	E	28.7	Very low	27.7	Very low	162 Å²	162	138.1 Å²	138.1	76%	0.757	78%	0.78	S	S	*	*			cis	-162.8	167	4.4	-103.5	140.7	-173.9	0	0	107
13	D	26.7	Very low	27.8	Very low	126 Å²	126	139 Å²	139	67%	0.674	78%	0.775	S	S	*	*			cis	-171.4	162	-21	174.1	52.2	0	0	0	108.7
14	L	26.8	Very low	27.9	Very low	166 Å²	166	140.7 Å²	140.7	87%	0.869	77%	0.773	S	S	*	*			trans	-170.1	154.5	150.6	-130.7	83.1	0	0	0	114.2
15	M	25.6	Very low	27.9	Very low	155 Å²	155	141.2 Å²	141.2	76%	0.764	77%	0.774	S	S	*	*			trans	-93.8	149	-172.1	-51.2	175.8	-168	0	0	115.9
16	M	26.8	Very low	27.8	Very low	181 Å²	181	146.3 Å²	146.3	89%	0.892	78%	0.777	S	S	*	*			trans	-159.3	161.3	132.8	-107.2	-55.2	174.8	0	0	111.9
17	H	28.3	Very low	27.7	Very low	156 Å²	156	146 Å²	146	72%	0.722	78%	0.78	S	S	*	*			trans	-96.8	142.5	-161.1	-67	66.7	0	0	0	115.4
18	S	26.5	Very low	27.9	Very low	124 Å²	124	146.3 Å²	146.3	87%	0.867	78%	0.778	S	S	*	*			trans	-165.7	142.5	139.5	-84.7	0	0	0	0	111.7
19	N	27.9	Very low	28.1	Very low	154 Å²	154	150.7 Å²	150.7	82%	0.824	78%	0.784	S	S	*	*			trans	-84	140.3	-175.1	-72.5	-30.8	0	0	0	113
20	N	27.8	Very low	28.2	Very low	156 Å²	156	151.6 Å²	151.6	83%	0.834	79%	0.79	S	S	*	*			trans	-160.1	120.9	138.7	-106.4	-31.5	0	0	0	110.9	I22	N20-I22 PolarHBondContact O-N 3.45Å
21	N	27.2	Very low	28.4	Very low	167 Å²	167	146.1 Å²	146.1	89%	0.893	79%	0.79	S	S	*	*			trans	-79.9	101.3	-177.9	-80.8	-24.1	0	0	0	111.2
22	I	28	Very low	29.3	Very low	159 Å²	159	146.9 Å²	146.9	82%	0.815	79%	0.794	S	S	*	*			trans	-89.5	107.5	164.9	-60.7	177.6	0	0	0	108.1	N20	N20-I22 PolarHBondContact O-N 3.45Å
23	L	31	Very low	30.3	Very low	139 Å²	139	146.1 Å²	146.1	73%	0.728	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-68	141.8	168.3	-76.3	164.6	0	0	0	109.8
24	P	30.1	Very low	31.8	Very low	102 Å²	102	144.3 Å²	144.3	66%	0.662	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-67	151	178.2	29.1	-35.1	0	0	0	111.2	Y26	P24-Y26 PolarHBondContact O-N 3.41Å
25	P	29.2	Very low	33.6	Very low	126 Å²	126	137.8 Å²	137.8	82%	0.818	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-64.9	132.9	-179.8	27.1	-34.4	0	0	0	111.1	S27	P25-S27 PolarHBondContact O-N 2.97Å; P25-S27 VanDerWaalsContact O-N 3.08Å
26	Y	27.9	Very low	35.6	Very low	219 Å²	219	136.3 Å²	136.3	86%	0.859	74%	0.742	S	S	*	*			trans	-59.8	112.2	176.8	-78.1	-91.5	0	0	0	111	P24	P24-Y26 PolarHBondContact O-N 3.41Å
27	S	26	Very low	37.8	Very low	118 Å²	118	128.8 Å²	128.8	83%	0.825	71%	0.706	S	S	*	*			trans	-64.2	140.6	168.5	-169.1	0	0	0	0	110	P25	P25-S27 PolarHBondContact O-N 2.97Å; P25-S27 VanDerWaalsContact O-N 3.08Å
28	T	33.3	Very low	40	Very low	119 Å²	119	123.7 Å²	123.7	73%	0.73	69%	0.687	S	S	*	*			trans	-86.4	160.5	-178.5	51.2	0	0	0	0	111.9
29	K	30.4	Very low	42.6	Very low	195 Å²	195	118.2 Å²	118.2	85%	0.848	65%	0.648	S	S	*	*			trans	81.4	117.3	-171.9	-50.9	165.5	-174.9	173.2	0	113.6	A31	K29-A31 PolarHBondContact O-N 3.42Å
30	S	28.6	Very low	45.3	Very low	112 Å²	112	113 Å²	113	78%	0.783	62%	0.623	S	S	*	*			trans	-58.8	115.5	150	50.8	0	0	0	0	108.5	Q32	S30-Q32 PolarHBondContact O-N 3.43Å
31	A	32.8	Very low	48.2	Very low	95 Å²	95	105.7 Å²	105.7	79%	0.785	58%	0.584	S	S	*	*			trans	-64.3	115.8	164.7	0	0	0	0	0	107.7	K29 E33	K29-A31 PolarHBondContact O-N 3.42Å; A31-E33 PolarHBondContact O-N 3.16Å
32	Q	46.2	Very low	51	Low	154 Å²	154	102.4 Å²	102.4	72%	0.72	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-66.7	129.1	165	-69.8	173.7	-59.4	0	0	107	S30	S30-Q32 PolarHBondContact O-N 3.43Å
33	E	49.3	Very low	53.8	Low	145 Å²	145	95.6 Å²	95.6	68%	0.678	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-57	139.7	172.6	-63	-179.4	119.1	0	0	109.2	A31 L35 R366	A31-E33 PolarHBondContact O-N 3.16Å; E33-L35 PolarHBondContact O-N 3.38Å; E33-R366 IonicContact OE2-NH1 3.21Å
34	P	58.5	Low	56	Low	89 Å²	89	89.7 Å²	89.7	58%	0.578	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-60.2	134.3	177.9	26	-33.8	0	0	0	109.5	Q36	P34-Q36 PolarHBondContact O-N 3.19Å
35	L	64.8	Low	58	Low	29 Å²	29	90.5 Å²	90.5	15%	0.152	50%	0.5	C	S	.	.			trans	-75	70.4	-174.6	-168.4	87.1	0	0	0	111.6	E33 Y78 L129 R132 V362	E33-L35 PolarHBondContact O-N 3.38Å; L35-Y78 PolarHBondContact O-OH 3.04Å; L35-L129 HydrophobicContact CD2-CD2 4Å; L35-R132 HydrophobicContact CB-CB 4.23Å; L35-R132 HydrophobicContact CD2-CB 3.78Å; L35-V362 HydrophobicContact CD1-CG1 4.24Å; L35-V362 HydrophobicContact CD1-CG2 4.14Å; L35-V362 HydrophobicContact CD2-CB 4.45Å; L35-V362 HydrophobicContact CD2-CG1 3.74Å; L35-V362 HydrophobicContact CD2-CG2 3.9Å; L35-V362 HydrophobicContact CG-CG2 4.24Å
36	Q	66.5	Low	60.1	Low	124 Å²	124	92.5 Å²	92.5	58%	0.579	49%	0.492	S	S	*	.			trans	-97.4	105.2	179.5	-167	166.9	19.1	0	0	110.2	P34	P34-Q36 PolarHBondContact O-N 3.19Å
37	L	73.4	Confident	62.7	Low	22 Å²	22	83.3 Å²	83.3	12%	0.115	46%	0.458	C	S	.	.			trans	-57.1	139.3	165.8	-67	173.8	0	0	0	109	L39 Y75 Y78 L79 V362	L37-L39 PolarHBondContact O-N 2.89Å; L37-Y75 HydrophobicContact CD1-CD1 3.67Å; L37-Y75 HydrophobicContact CD1-CE1 4.03Å; L37-Y75 HydrophobicContact CD2-CE1 4.28Å; L37-Y78 HydrophobicContact CD1-CD1 3.94Å; L37-Y78 HydrophobicContact CD1-CE1 3.88Å; L37-Y78 HydrophobicContact CG-CE1 4.32Å; L37-L79 HydrophobicContact CB-CD2 4.47Å; L37-L79 HydrophobicContact CD1-CD2 4.21Å; L37-V362 HydrophobicContact CD2-CG2 4.02Å
38	P	75.5	Confident	65.6	Low	50 Å²	50	77.7 Å²	77.7	33%	0.325	42%	0.419	S	S	.	.	S	Bend	trans	-77.8	45.7	174.8	34.6	-36.1	0	0	0	110.8	V368 L390 T391	P38-V368 HydrophobicContact CG-CG2 4.01Å; P38-L390 VanDerWaalsContact O-CA 3.24Å; P38-L390 WeakPolarHBondContact O-CA 3.42Å; P38-L390 WeakPolarHBondContact O-CD2 3.07Å; P38-T391 VanDerWaalsContact C-OG1 3.24Å; P38-T391 PolarHBondContact O-N 3.07Å; P38-T391 VanDerWaalsContact O-N 3.08Å
39	L	81.3	Confident	68.4	Low	9 Å²	9	77.1 Å²	77.1	5%	0.047	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146	174.4	-76.5	173.7	0	0	0	110.3	L37 L79 V368 L372 W373 L376 V388 S389 L390 T391	L37-L39 PolarHBondContact O-N 2.89Å; L39-L79 HydrophobicContact CB-CD1 4.01Å; L39-L79 HydrophobicContact CB-CD2 3.89Å; L39-L79 HydrophobicContact CD1-CD1 3.94Å; L39-L79 WeakPolarHBondContact O-CD2 3.32Å; L39-V368 HydrophobicContact CD1-CB 4.45Å; L39-V368 HydrophobicContact CD1-CG1 3.76Å; L39-V368 HydrophobicContact CD1-CG2 3.8Å; L39-V368 HydrophobicContact CD2-CG2 4.18Å; L39-V368 HydrophobicContact CG-CG1 4.37Å; L39-V368 HydrophobicContact CG-CG2 3.65Å; L39-L372 HydrophobicContact CD1-CD2 4.06Å; L39-W373 HydrophobicContact CD2-CE3 3.73Å; L39-W373 HydrophobicContact CD2-CZ3 3.64Å; L39-L376 HydrophobicContact CD1-CD1 4.04Å; L39-V388 HydrophobicContact CD2-CG1 4.24Å; L39-S389 CarbonylContact C-O 3.59Å; L39-S389 WeakPolarHBondContact CA-O 3.48Å; L39-L390 HydrophobicContact CD2-CD2 3.87Å; L39-T391 PolarHBondContact N-OG1 3.09Å; L39-T391 VanDerWaalsContact N-OG1 3.14Å
40	S	83.4	Confident	71.2	Confident	45 Å²	45	72.4 Å²	72.4	32%	0.315	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145	161.2	63.8	0	0	0	0	110.1	S389	S40-S389 PolarHBondContact N-O 3.49Å; S40-S389 PolarHBondContact O-N 3.35Å; S40-S389 PolarHBondContact OG-OG 2.86Å
41	I	89.1	Confident	74.2	Confident	1 Å²	1	67 Å²	67	1%	0.005	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.5	174.5	72.7	179.9	0	0	0	111.1	I43 F51 L79 A80 S83 L376 T387 V388	I41-I43 HydrophobicContact CD1-CD1 4.06Å; I41-I43 HydrophobicContact CD1-CG1 4.46Å; I41-I43 HydrophobicContact CG1-CD1 4.43Å; I41-F51 HydrophobicContact CD1-CE2 4.18Å; I41-F51 HydrophobicContact CD1-CZ 3.82Å; I41-L79 HydrophobicContact CD1-CB 3.86Å; I41-L79 HydrophobicContact CG1-CB 3.92Å; I41-L79 HydrophobicContact CG2-CB 4.3Å; I41-L79 HydrophobicContact CG2-CD1 4.31Å; I41-A80 HydrophobicContact CD1-CB 4.09Å; I41-S83 VanDerWaalsContact O-CB 3.24Å; I41-S83 WeakPolarHBondContact O-CB 3.17Å; I41-S83 PolarHBondContact O-OG 3.22Å; I41-L376 HydrophobicContact CG2-CD1 4.38Å; I41-L376 HydrophobicContact CG2-CD2 4.31Å; I41-T387 CarbonylContact C-O 2.92Å; I41-T387 VanDerWaalsContact CA-O 3.31Å; I41-T387 WeakPolarHBondContact CA-O 3.41Å; I41-V388 HydrophobicContact CG2-CG1 4.17Å; I41-V388 HydrophobicContact CG2-CG2 4.18Å
42	Q	86.1	Confident	77	Confident	98 Å²	98	62.7 Å²	62.7	46%	0.458	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.3	172.9	-67.6	177.7	-22.5	0	0	109.4	C385 H386 T387	Q42-C385 WeakPolarHBondContact O-CA 3.4Å; Q42-C385 WeakPolarHBondContact O-CB 3.44Å; Q42-H386 PolarHBondContact O-N 3.14Å; Q42-T387 PolarHBondContact N-O 2.92Å; Q42-T387 VanDerWaalsContact OE1-CB 3.32Å; Q42-T387 PolarHBondContact OE1-OG1 2.76Å
43	I	86.1	Confident	79.2	Confident	16 Å²	16	58.1 Å²	58.1	8%	0.082	30%	0.302	C	S	.	.			trans	-127.5	118.4	-179.4	-57.3	166.6	0	0	0	106.6	I41 V48 F51 A80 F84 C385	I41-I43 HydrophobicContact CD1-CD1 4.06Å; I41-I43 HydrophobicContact CD1-CG1 4.46Å; I41-I43 HydrophobicContact CG1-CD1 4.43Å; I43-V48 HydrophobicContact CG2-CB 4.3Å; I43-V48 HydrophobicContact CG2-CG2 3.77Å; I43-F51 HydrophobicContact CD1-CD1 3.72Å; I43-F51 HydrophobicContact CD1-CD2 3.96Å; I43-F51 HydrophobicContact CD1-CE1 3.67Å; I43-F51 HydrophobicContact CD1-CE2 3.9Å; I43-F51 HydrophobicContact CD1-CG 3.88Å; I43-F51 HydrophobicContact CD1-CZ 3.76Å; I43-F51 HydrophobicContact CG1-CD2 4.31Å; I43-F51 HydrophobicContact CG1-CE2 4.4Å; I43-F51 HydrophobicContact CG2-CB 4.4Å; I43-A80 HydrophobicContact CD1-CB 3.58Å; I43-F84 HydrophobicContact CB-CZ 4.12Å; I43-F84 HydrophobicContact CD1-CE2 4.36Å; I43-F84 HydrophobicContact CD1-CZ 4.1Å; I43-F84 HydrophobicContact CG2-CZ 4.43Å; I43-C385 HydrophobicContact CG1-CB 4.1Å
44	G	77.3	Confident	81.1	Confident	16 Å²	16	52.4 Å²	52.4	17%	0.165	28%	0.275	C	S	.	.			trans	-68.7	144.6	176.4	0	0	0	0	0	112.3	Y46 N47 H386	G44-Y46 PolarHBondContact O-N 2.84Å; G44-N47 PolarHBondContact O-N 3.02Å; G44-H386 PolarHBondContact N-CE1 3.24Å; G44-H386 VanDerWaalsContact N-CE1 3.31Å; G44-H386 PolarHBondContact N-ND1 3.06Å
45	D	73.4	Confident	82.7	Confident	119 Å²	119	48.1 Å²	48.1	64%	0.636	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.3	-166.7	-52.8	-69.3	0	0	0	114.7
46	Y	72.3	Confident	83.9	Confident	167 Å²	167	47.4 Å²	47.4	66%	0.655	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-18.9	-179.8	51	-85.4	0	0	0	114	G44 H386	G44-Y46 PolarHBondContact O-N 2.84Å; Y46-H386 AromaticContact CZ-NE2 3.79Å; Y46-H386 PolarHBondContact OH-NE2 3.39Å
47	N	82.3	Confident	84.8	Confident	26 Å²	26	42.6 Å²	42.6	14%	0.139	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-2.2	-176.2	-71.6	-10	0	0	0	114	G44 W49 D50 F51 R383	G44-N47 PolarHBondContact O-N 3.02Å; N47-W49 PolarHBondContact O-N 2.98Å; N47-D50 PolarHBondContact O-N 3.28Å; N47-F51 WeakPolarHBondContact O-CB 3.4Å; N47-F51 PolarHBondContact O-N 3.1Å; N47-R383 PolarHBondContact ND2-O 3.25Å
48	V	87.9	Confident	84.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-41.2	-170.8	-176.7	0	0	0	0	112.9	I43 L52 F84 Y91 F95	I43-V48 HydrophobicContact CG2-CB 4.3Å; I43-V48 HydrophobicContact CG2-CG2 3.77Å; V48-L52 WeakPolarHBondContact O-CB 3.2Å; V48-L52 PolarHBondContact O-N 3.43Å; V48-F84 HydrophobicContact CB-CZ 4.3Å; V48-F84 HydrophobicContact CG1-CE2 3.78Å; V48-F84 HydrophobicContact CG1-CZ 3.57Å; V48-F84 HydrophobicContact CG2-CE1 4.18Å; V48-F84 HydrophobicContact CG2-CZ 3.75Å; V48-Y91 HydrophobicContact CB-CE1 4.29Å; V48-Y91 WeakPolarHBondContact CB-OH 3.14Å; V48-Y91 HydrophobicContact CG1-CE1 3.87Å; V48-Y91 WeakPolarHBondContact CG1-OH 3.5Å; V48-Y91 HydrophobicContact CG2-CE1 3.95Å; V48-Y91 WeakPolarHBondContact CG2-OH 3.38Å; V48-F95 HydrophobicContact CG1-CD2 3.72Å; V48-F95 HydrophobicContact CG1-CE2 3.73Å
49	W	90.4	Very high	83.9	Confident	108 Å²	108	50.6 Å²	50.6	41%	0.409	25%	0.253	S	S	.	.	H	α-helix	trans	-75.9	-30.5	-179.1	-55.6	122.1	0	0	0	112.2	N47 L52 A53 Y91 F95 R98	N47-W49 PolarHBondContact O-N 2.98Å; W49-L52 HydrophobicContact CE3-CD2 3.89Å; W49-L52 HydrophobicContact CZ3-CD2 3.98Å; W49-L52 PolarHBondContact O-N 2.9Å; W49-A53 VanDerWaalsContact O-CB 3.23Å; W49-A53 WeakPolarHBondContact O-CB 3.15Å; W49-A53 PolarHBondContact O-N 3.36Å; W49-Y91 AromaticContact CZ2-CE2 3.96Å; W49-Y91 HydrophobicContact CZ2-CE2 3.96Å; W49-F95 HydrophobicContact CZ3-CD2 4.38Å; W49-R98 HydrophobicContact CE3-CG 4.29Å; W49-R98 HydrophobicContact CZ3-CB 3.82Å; W49-R98 HydrophobicContact CZ3-CG 3.89Å
50	D	90.5	Very high	82.9	Confident	95 Å²	95	50.7 Å²	50.7	51%	0.508	26%	0.255	S	S	.	.	H	α-helix	trans	-72.6	-39	173.1	-63.9	-33.8	0	0	0	111.6	N47 A53 E54 L384	N47-D50 PolarHBondContact O-N 3.28Å; D50-A53 PolarHBondContact O-N 3.22Å; D50-E54 WeakPolarHBondContact O-CB 3.35Å; D50-E54 PolarHBondContact O-N 3.22Å; D50-L384 HydrophobicContact CB-CD2 3.84Å
51	F	91.3	Very high	81.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-57.3	-50.1	168.9	172.6	-85.4	0	0	0	110.5	I41 I43 N47 A53 E54 V55 A80 F95 L379 L384	I41-F51 HydrophobicContact CD1-CE2 4.18Å; I41-F51 HydrophobicContact CD1-CZ 3.82Å; I43-F51 HydrophobicContact CD1-CD1 3.72Å; I43-F51 HydrophobicContact CD1-CD2 3.96Å; I43-F51 HydrophobicContact CD1-CE1 3.67Å; I43-F51 HydrophobicContact CD1-CE2 3.9Å; I43-F51 HydrophobicContact CD1-CG 3.88Å; I43-F51 HydrophobicContact CD1-CZ 3.76Å; I43-F51 HydrophobicContact CG1-CD2 4.31Å; I43-F51 HydrophobicContact CG1-CE2 4.4Å; I43-F51 HydrophobicContact CG2-CB 4.4Å; N47-F51 WeakPolarHBondContact O-CB 3.4Å; N47-F51 PolarHBondContact O-N 3.1Å; F51-A53 PolarHBondContact O-N 3.03Å; F51-E54 PolarHBondContact O-N 3.25Å; F51-V55 HydrophobicContact CD1-CG2 4.29Å; F51-V55 HydrophobicContact CD2-CG2 4.37Å; F51-V55 HydrophobicContact CE1-CG2 4.05Å; F51-V55 HydrophobicContact CE2-CG2 4.15Å; F51-V55 HydrophobicContact CG-CG2 4.44Å; F51-V55 HydrophobicContact CZ-CG2 3.98Å; F51-V55 VanDerWaalsContact O-CB 3.3Å; F51-V55 WeakPolarHBondContact O-CB 3.46Å; F51-V55 WeakPolarHBondContact O-CG2 3.41Å; F51-V55 PolarHBondContact O-N 3.32Å; F51-A80 HydrophobicContact CE1-CB 3.72Å; F51-A80 HydrophobicContact CZ-CB 4.14Å; F51-F95 HydrophobicContact CE1-CZ 4.42Å; F51-L379 HydrophobicContact CD2-CD1 4.29Å; F51-L379 HydrophobicContact CE2-CD1 3.76Å; F51-L379 HydrophobicContact CZ-CD1 4.48Å; F51-L384 HydrophobicContact CB-CB 4.26Å; F51-L384 HydrophobicContact CD2-CB 4.2Å
52	L	92.7	Very high	80.1	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-41.9	178.8	-178.1	63.1	0	0	0	112	V48 W49 M56 L77 F95 R98 I99	V48-L52 WeakPolarHBondContact O-CB 3.2Å; V48-L52 PolarHBondContact O-N 3.43Å; W49-L52 HydrophobicContact CE3-CD2 3.89Å; W49-L52 HydrophobicContact CZ3-CD2 3.98Å; W49-L52 PolarHBondContact O-N 2.9Å; L52-M56 HydrophobicContact CD1-CG 3.99Å; L52-M56 HydrophobicContact CD1-SD 3.64Å; L52-M56 WeakPolarHBondContact O-CB 3.38Å; L52-M56 PolarHBondContact O-N 3.27Å; L52-L77 HydrophobicContact CD1-CD2 3.59Å; L52-F95 HydrophobicContact CB-CE2 4.17Å; L52-F95 HydrophobicContact CD1-CE2 4.19Å; L52-F95 HydrophobicContact CD1-CZ 4.32Å; L52-F95 HydrophobicContact CD2-CE2 4.37Å; L52-F95 HydrophobicContact CG-CE2 4.48Å; L52-R98 HydrophobicContact CD2-CB 3.76Å; L52-R98 HydrophobicContact CD2-CG 3.47Å; L52-R98 VanDerWaalsContact CD2-CG 3.47Å; L52-I99 HydrophobicContact CD1-CD1 4.49Å; L52-I99 HydrophobicContact CD1-CG1 3.62Å
53	A	91.1	Very high	78.7	Confident	58 Å²	58	49.7 Å²	49.7	48%	0.479	26%	0.255	S	S	.	.	H	α-helix	trans	-66.1	-41	179	0	0	0	0	0	112.2	W49 D50 F51 S57	W49-A53 VanDerWaalsContact O-CB 3.23Å; W49-A53 WeakPolarHBondContact O-CB 3.15Å; W49-A53 PolarHBondContact O-N 3.36Å; D50-A53 PolarHBondContact O-N 3.22Å; F51-A53 PolarHBondContact O-N 3.03Å; A53-S57 VanDerWaalsContact O-CB 3.28Å; A53-S57 WeakPolarHBondContact O-CB 3.4Å; A53-S57 PolarHBondContact O-N 3.44Å
54	E	89.8	Confident	77.1	Confident	25 Å²	25	53.5 Å²	53.5	12%	0.117	28%	0.283	C	S	.	.	H	α-helix	trans	-69.4	-48.2	176.5	-172.1	65.9	-154.8	0	0	111.5	D50 F51 M56 S57 L379 R382 L384	D50-E54 WeakPolarHBondContact O-CB 3.35Å; D50-E54 PolarHBondContact O-N 3.22Å; F51-E54 PolarHBondContact O-N 3.25Å; E54-M56 VanDerWaalsContact C-N 3.28Å; E54-M56 PolarHBondContact O-N 3.18Å; E54-S57 WeakPolarHBondContact O-CB 3.15Å; E54-S57 PolarHBondContact O-N 3.28Å; E54-S57 VanDerWaalsContact O-N 3.1Å; E54-S57 PolarHBondContact O-OG 3.12Å; E54-L379 HydrophobicContact CG-CD2 4.21Å; E54-R382 VanDerWaalsContact CD-CZ 3.47Å; E54-R382 IonicContact OE1-CZ 2.9Å; E54-R382 IonicContact OE1-NH1 3.66Å; E54-R382 PolarHBondContact OE1-NH1 2.92Å; E54-R382 IonicContact OE1-NH2 3.38Å; E54-R382 IonicContact OE2-CZ 2.78Å; E54-R382 IonicContact OE2-NH1 3.49Å; E54-R382 PolarHBondContact OE2-NH1 2.82Å; E54-R382 IonicContact OE2-NH2 3Å; E54-R382 PolarHBondContact OE2-NH2 2.89Å; E54-L384 HydrophobicContact CB-CD1 3.71Å; E54-L384 HydrophobicContact CG-CD1 3.83Å
55	V	91	Very high	75.8	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.9	-34.4	-179.1	171.9	0	0	0	0	111.8	F51 P73 L77 W119 L379	F51-V55 HydrophobicContact CD1-CG2 4.29Å; F51-V55 HydrophobicContact CD2-CG2 4.37Å; F51-V55 HydrophobicContact CE1-CG2 4.05Å; F51-V55 HydrophobicContact CE2-CG2 4.15Å; F51-V55 HydrophobicContact CG-CG2 4.44Å; F51-V55 HydrophobicContact CZ-CG2 3.98Å; F51-V55 VanDerWaalsContact O-CB 3.3Å; F51-V55 WeakPolarHBondContact O-CB 3.46Å; F51-V55 WeakPolarHBondContact O-CG2 3.41Å; F51-V55 PolarHBondContact O-N 3.32Å; V55-P73 HydrophobicContact CG1-CB 3.91Å; V55-L77 HydrophobicContact CB-CD2 4.45Å; V55-L77 HydrophobicContact CG1-CD2 3.77Å; V55-L77 HydrophobicContact CG1-CG 3.84Å; V55-W119 WeakPolarHBondContact O-CH2 3.22Å; V55-L379 HydrophobicContact CG2-CD1 3.71Å; V55-L379 HydrophobicContact CG2-CD2 4.42Å
56	M	91.4	Very high	74.7	Confident	13 Å²	13	57.7 Å²	57.7	6%	0.064	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	15.4	175.7	-57.7	-164.4	77.8	0	0	114	L52 E54 L77 I99 N102 F103 I106	L52-M56 HydrophobicContact CD1-CG 3.99Å; L52-M56 HydrophobicContact CD1-SD 3.64Å; L52-M56 WeakPolarHBondContact O-CB 3.38Å; L52-M56 PolarHBondContact O-N 3.27Å; E54-M56 VanDerWaalsContact C-N 3.28Å; E54-M56 PolarHBondContact O-N 3.18Å; M56-L77 HydrophobicContact CE-CD1 4.29Å; M56-L77 HydrophobicContact CG-CD1 4.05Å; M56-L77 HydrophobicContact CG-CD2 4.25Å; M56-L77 HydrophobicContact SD-CD1 3.95Å; M56-L77 HydrophobicContact SD-CD2 4.42Å; M56-I99 HydrophobicContact CE-CG2 4.3Å; M56-I99 HydrophobicContact SD-CB 4.4Å; M56-I99 HydrophobicContact SD-CG1 4.27Å; M56-I99 HydrophobicContact SD-CG2 4.21Å; M56-N102 HydrophobicContact CE-CB 3.53Å; M56-N102 HydrophobicContact SD-CB 3.53Å; M56-N102 VanDerWaalsContact SD-CB 3.53Å; M56-N102 PolarHBondContact SD-ND2 3.48Å; M56-F103 HydrophobicContact CE-CD1 3.94Å; M56-F103 HydrophobicContact CE-CD2 3.76Å; M56-F103 HydrophobicContact CE-CE1 3.83Å; M56-F103 HydrophobicContact CE-CE2 3.68Å; M56-F103 HydrophobicContact CE-CG 3.92Å; M56-F103 HydrophobicContact CE-CZ 3.71Å; M56-I106 HydrophobicContact CE-CD1 4.34Å
57	S	84.5	Confident	74.2	Confident	24 Å²	24	50.5 Å²	50.5	17%	0.168	27%	0.269	C	S	.	.	S	Bend	trans	-79	149	177.4	71	0	0	0	0	112.3	A53 E54 R59 A60	A53-S57 VanDerWaalsContact O-CB 3.28Å; A53-S57 WeakPolarHBondContact O-CB 3.4Å; A53-S57 PolarHBondContact O-N 3.44Å; E54-S57 WeakPolarHBondContact O-CB 3.15Å; E54-S57 PolarHBondContact O-N 3.28Å; E54-S57 VanDerWaalsContact O-N 3.1Å; E54-S57 PolarHBondContact O-OG 3.12Å; S57-R59 PolarHBondContact O-N 3.46Å; S57-R59 PolarHBondContact OG-N 3.31Å; S57-A60 WeakPolarHBondContact O-CB 3.38Å; S57-A60 PolarHBondContact O-N 3.19Å
58	N	67.4	Low	73.8	Confident	86 Å²	86	54.5 Å²	54.5	46%	0.46	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-11.1	171.9	-69.7	-13	0	0	0	113.5	A60 A61 T62	N58-A60 VanDerWaalsContact C-N 3.31Å; N58-A61 PolarHBondContact O-N 2.56Å; N58-T62 PolarHBondContact O-N 3.03Å; N58-T62 VanDerWaalsContact O-N 3.11Å; N58-T62 PolarHBondContact O-OG1 3.14Å
59	R	62.8	Low	73.8	Confident	154 Å²	154	55.6 Å²	55.6	58%	0.581	30%	0.299	S	S	*	.	H	α-helix	trans	-65.4	-35	169.2	-63.6	179.1	172.5	175.6	-4.1	111.4	S57 A61 T62 S63 M66	S57-R59 PolarHBondContact O-N 3.46Å; S57-R59 PolarHBondContact OG-N 3.31Å; R59-A61 VanDerWaalsContact C-N 3.28Å; R59-A61 PolarHBondContact O-N 3.11Å; R59-T62 PolarHBondContact O-N 3.01Å; R59-S63 VanDerWaalsContact O-CB 3.3Å; R59-S63 WeakPolarHBondContact O-CB 3.5Å; R59-S63 PolarHBondContact O-N 3.26Å; R59-S63 PolarHBondContact O-OG 2.74Å; R59-M66 HydrophobicContact CB-CE 4.37Å
60	A	60.5	Low	73.8	Confident	11 Å²	11	52.7 Å²	52.7	9%	0.091	29%	0.288	C	S	.	.	H	α-helix	trans	-65	-31.7	177.2	0	0	0	0	0	112.7	S57 N58 P73 F118 W119	S57-A60 WeakPolarHBondContact O-CB 3.38Å; S57-A60 PolarHBondContact O-N 3.19Å; N58-A60 VanDerWaalsContact C-N 3.31Å; A60-P73 HydrophobicContact CB-CG 4.18Å; A60-F118 HydrophobicContact CB-CE1 4.38Å; A60-F118 HydrophobicContact CB-CZ 4.28Å; A60-F118 WeakPolarHBondContact O-CZ 3.37Å; A60-W119 HydrophobicContact CB-CH2 4.4Å
61	A	59.3	Low	73.8	Confident	5 Å²	5	48.3 Å²	48.3	4%	0.041	27%	0.265	C	S	.	.	H	α-helix	trans	-78.4	-44.5	176.4	0	0	0	0	0	112.5	N58 R59 R70 D115 F118	N58-A61 PolarHBondContact O-N 2.56Å; R59-A61 VanDerWaalsContact C-N 3.28Å; R59-A61 PolarHBondContact O-N 3.11Å; A61-R70 PolarHBondContact O-NH1 3.45Å; A61-D115 HydrophobicContact CB-CB 4.34Å; A61-D115 WeakPolarHBondContact CB-OD1 3.15Å; A61-F118 HydrophobicContact CB-CB 4.23Å; A61-F118 HydrophobicContact CB-CD1 3.36Å; A61-F118 HydrophobicContact CB-CE1 3.74Å; A61-F118 HydrophobicContact CB-CG 3.79Å; A61-F118 HydrophobicContact CB-CZ 4.44Å
62	T	55.1	Low	73.8	Confident	94 Å²	94	48.3 Å²	48.3	58%	0.577	27%	0.265	S	S	*	.	H	α-helix	trans	-85.8	-26.8	-171.1	51.1	0	0	0	0	115.2	N58 R59 S64 D115	N58-T62 PolarHBondContact O-N 3.03Å; N58-T62 VanDerWaalsContact O-N 3.11Å; N58-T62 PolarHBondContact O-OG1 3.14Å; R59-T62 PolarHBondContact O-N 3.01Å; T62-S64 PolarHBondContact O-N 3.35Å; T62-D115 WeakPolarHBondContact CG2-OD1 3.38Å
63	S	54.7	Low	73.8	Confident	24 Å²	24	48.3 Å²	48.3	17%	0.168	27%	0.265	C	S	.	.			trans	-84.7	116.8	-176.1	61	0	0	0	0	113	R59 E65 M66	R59-S63 VanDerWaalsContact O-CB 3.3Å; R59-S63 WeakPolarHBondContact O-CB 3.5Å; R59-S63 PolarHBondContact O-N 3.26Å; R59-S63 PolarHBondContact O-OG 2.74Å; S63-E65 PolarHBondContact O-N 2.97Å; S63-M66 WeakPolarHBondContact OG-CB 3.18Å
64	S	53.7	Low	74	Confident	96 Å²	96	45.6 Å²	45.6	67%	0.671	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-10.6	167.4	-166.7	0	0	0	0	113.1	T62	T62-S64 PolarHBondContact O-N 3.35Å
65	E	49.4	Very low	74.1	Confident	181 Å²	181	44.6 Å²	44.6	85%	0.846	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-28.3	-174.9	-57.9	179	147.2	0	0	113.1	S63	S63-E65 PolarHBondContact O-N 2.97Å
66	M	51.5	Low	74.1	Confident	41 Å²	41	44.6 Å²	44.6	20%	0.202	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-28.5	-168.7	-158.4	101.1	69.9	0	0	113	R59 S63 Y375 Q378	R59-M66 HydrophobicContact CB-CE 4.37Å; S63-M66 WeakPolarHBondContact OG-CB 3.18Å; M66-Y375 HydrophobicContact CG-CD2 4.38Å; M66-Y375 HydrophobicContact CG-CE2 4.17Å; M66-Y375 WeakPolarHBondContact O-CD2 3.4Å; M66-Q378 PolarHBondContact O-NE2 3.39Å; M66-Q378 PolarHBondContact O-OE1 3.04Å
67	S	60.5	Low	74.3	Confident	16 Å²	16	44 Å²	44	11%	0.112	24%	0.235	C	C	.	.			trans	-150.7	122.6	176.5	-165.5	0	0	0	0	113.4	F69 S72	S67-F69 PolarHBondContact O-N 3.43Å; S67-F69 PolarHBondContact OG-N 3.49Å; S67-F69 PolarHBondContact OG-O 3.35Å; S67-S72 WeakPolarHBondContact OG-CB 3.34Å; S67-S72 PolarHBondContact OG-OG 3.41Å
68	T	74.8	Confident	74.7	Confident	110 Å²	110	43 Å²	43	68%	0.675	23%	0.227	S	C	*	.	S	Bend	trans	-69	-21	165.3	47.9	0	0	0	0	112.3	G371 Q374	T68-G371 WeakPolarHBondContact OG1-CA 3.39Å; T68-Q374 PolarHBondContact OG1-OE1 3.47Å
69	F	87.3	Confident	75.8	Confident	23 Å²	23	39.3 Å²	39.3	10%	0.101	21%	0.207	C	C	.	.	S	Bend	trans	-106.7	108.2	177.5	-178.2	-120.4	0	0	0	110.6	S67 L71 S72 Y75 F361 P369 L372	S67-F69 PolarHBondContact O-N 3.43Å; S67-F69 PolarHBondContact OG-N 3.49Å; S67-F69 PolarHBondContact OG-O 3.35Å; F69-L71 VanDerWaalsContact C-N 3.26Å; F69-L71 HydrophobicContact CD1-CB 4.45Å; F69-L71 HydrophobicContact CE1-CB 3.81Å; F69-L71 HydrophobicContact CE2-CB 4.25Å; F69-L71 HydrophobicContact CZ-CB 3.71Å; F69-L71 HydrophobicContact CZ-CD1 4.32Å; F69-L71 PolarHBondContact O-N 2.73Å; F69-S72 WeakPolarHBondContact CD1-OG 3.31Å; F69-S72 WeakPolarHBondContact O-CB 3.19Å; F69-S72 PolarHBondContact O-N 2.86Å; F69-S72 VanDerWaalsContact O-N 3.16Å; F69-S72 PolarHBondContact O-OG 2.79Å; F69-S72 VanDerWaalsContact O-OG 3.07Å; F69-Y75 AromaticContact CE1-CD2 3.84Å; F69-Y75 HydrophobicContact CE1-CD2 3.84Å; F69-Y75 HydrophobicContact CE1-CE2 4.01Å; F69-Y75 HydrophobicContact CE1-CG 4.25Å; F69-Y75 HydrophobicContact CZ-CD2 4.24Å; F69-Y75 AromaticContact CZ-CE2 3.92Å; F69-Y75 HydrophobicContact CZ-CE2 3.92Å; F69-F361 HydrophobicContact CD2-CZ 4.4Å; F69-F361 AromaticContact CE2-CD1 3.81Å; F69-F361 HydrophobicContact CE2-CD1 3.81Å; F69-F361 HydrophobicContact CE2-CD2 4.02Å; F69-F361 AromaticContact CE2-CE1 3.57Å; F69-F361 HydrophobicContact CE2-CE1 3.57Å; F69-F361 AromaticContact CE2-CE2 3.76Å; F69-F361 HydrophobicContact CE2-CE2 3.76Å; F69-F361 HydrophobicContact CE2-CG 4.05Å; F69-F361 AromaticContact CE2-CZ 3.53Å; F69-F361 HydrophobicContact CE2-CZ 3.53Å; F69-F361 AromaticContact CZ-CD1 3.68Å; F69-F361 HydrophobicContact CZ-CD1 3.68Å; F69-F361 AromaticContact CZ-CE1 3.74Å; F69-F361 HydrophobicContact CZ-CE1 3.74Å; F69-F361 HydrophobicContact CZ-CG 4.12Å; F69-F361 HydrophobicContact CZ-CZ 4.2Å; F69-P369 HydrophobicContact CD2-CB 4.35Å; F69-P369 HydrophobicContact CE1-CG 4.39Å; F69-P369 HydrophobicContact CE2-CB 4.47Å; F69-P369 HydrophobicContact CE2-CG 4.25Å; F69-P369 HydrophobicContact CG-CB 4.44Å; F69-P369 HydrophobicContact CZ-CG 4.12Å; F69-L372 HydrophobicContact CD1-CB 3.78Å; F69-L372 HydrophobicContact CD1-CD1 4.49Å; F69-L372 HydrophobicContact CE1-CB 4.17Å
70	R	89.7	Confident	77.2	Confident	47 Å²	47	32 Å²	32	18%	0.177	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-17.3	-172	-69.1	-60.3	-164.5	142.6	0.8	115	A61 F118 N122 I197	A61-R70 PolarHBondContact O-NH1 3.45Å; R70-F118 HydrophobicContact CB-CE2 4.32Å; R70-F118 WeakPolarHBondContact O-CE2 3.46Å; R70-N122 PolarHBondContact O-ND2 3.35Å; R70-I197 VanDerWaalsContact CG-O 3.3Å; R70-I197 WeakPolarHBondContact CG-O 3.35Å
71	L	91.8	Very high	78.8	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.021	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	4.9	175.6	-60.6	171.9	0	0	0	113.4	F69 P73 A74 Y75 A121 N122 E125 F361	F69-L71 VanDerWaalsContact C-N 3.26Å; F69-L71 HydrophobicContact CD1-CB 4.45Å; F69-L71 HydrophobicContact CE1-CB 3.81Å; F69-L71 HydrophobicContact CE2-CB 4.25Å; F69-L71 HydrophobicContact CZ-CB 3.71Å; F69-L71 HydrophobicContact CZ-CD1 4.32Å; F69-L71 PolarHBondContact O-N 2.73Å; L71-P73 VanDerWaalsContact C-N 3.33Å; L71-A74 WeakPolarHBondContact O-CB 3.34Å; L71-A74 PolarHBondContact O-N 2.94Å; L71-Y75 HydrophobicContact CB-CD2 4.18Å; L71-Y75 HydrophobicContact CB-CE2 4.1Å; L71-Y75 WeakPolarHBondContact O-CD2 3.01Å; L71-Y75 PolarHBondContact O-N 3.38Å; L71-A121 HydrophobicContact CD2-CB 3.92Å; L71-N122 WeakPolarHBondContact CA-OD1 3.39Å; L71-N122 PolarHBondContact O-OD1 2.94Å; L71-E125 HydrophobicContact CD1-CG 4.17Å; L71-E125 HydrophobicContact CD2-CB 4.2Å; L71-E125 HydrophobicContact CD2-CG 4.47Å; L71-F361 HydrophobicContact CD1-CB 3.59Å; L71-F361 HydrophobicContact CD1-CD2 4.38Å; L71-F361 HydrophobicContact CD1-CG 4.08Å
72	S	91	Very high	80.2	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-48.8	-41.4	-179.4	-82.3	0	0	0	0	115.1	S67 F69 S76	S67-S72 WeakPolarHBondContact OG-CB 3.34Å; S67-S72 PolarHBondContact OG-OG 3.41Å; F69-S72 WeakPolarHBondContact CD1-OG 3.31Å; F69-S72 WeakPolarHBondContact O-CB 3.19Å; F69-S72 PolarHBondContact O-N 2.86Å; F69-S72 VanDerWaalsContact O-N 3.16Å; F69-S72 PolarHBondContact O-OG 2.79Å; F69-S72 VanDerWaalsContact O-OG 3.07Å; S72-S76 VanDerWaalsContact O-CB 3.32Å; S72-S76 WeakPolarHBondContact O-CB 3.25Å; S72-S76 PolarHBondContact O-N 3.11Å; S72-S76 PolarHBondContact O-OG 3.4Å
73	P	93.5	Very high	81.8	Confident	3 Å²	3	29.5 Å²	29.5	2%	0.019	16%	0.16	C	C	.	.	H	α-helix	trans	-58.8	-47.6	174	-26.6	34.7	0	0	0	114	V55 A60 L71 Y75 S76 L77 F118 W119 N122	V55-P73 HydrophobicContact CG1-CB 3.91Å; A60-P73 HydrophobicContact CB-CG 4.18Å; L71-P73 VanDerWaalsContact C-N 3.33Å; P73-Y75 VanDerWaalsContact C-N 3.32Å; P73-Y75 PolarHBondContact O-N 2.78Å; P73-S76 PolarHBondContact O-N 2.8Å; P73-S76 VanDerWaalsContact O-N 3.14Å; P73-L77 VanDerWaalsContact O-CG 3.32Å; P73-L77 WeakPolarHBondContact O-CG 3.26Å; P73-L77 PolarHBondContact O-N 3.23Å; P73-F118 HydrophobicContact CG-CE1 4.29Å; P73-F118 HydrophobicContact CG-CZ 3.87Å; P73-W119 HydrophobicContact CB-CH2 4.48Å; P73-W119 HydrophobicContact CB-CZ3 4.13Å; P73-W119 HydrophobicContact CG-CZ3 4.48Å; P73-N122 WeakPolarHBondContact CB-OD1 3.2Å; P73-N122 VanDerWaalsContact CD-OD1 3.3Å; P73-N122 WeakPolarHBondContact CD-OD1 3.32Å
74	A	93.7	Very high	83.4	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.1	-45.7	-178.5	0	0	0	0	0	112.3	L71 Y78 N122 E125 F126	L71-A74 WeakPolarHBondContact O-CB 3.34Å; L71-A74 PolarHBondContact O-N 2.94Å; A74-Y78 WeakPolarHBondContact O-CB 3.39Å; A74-Y78 PolarHBondContact O-N 2.76Å; A74-N122 HydrophobicContact CB-CB 4.24Å; A74-N122 VanDerWaalsContact CB-O 3.24Å; A74-N122 WeakPolarHBondContact CB-O 3.38Å; A74-N122 PolarHBondContact N-OD1 3.05Å; A74-E125 HydrophobicContact CB-CB 4.13Å; A74-E125 HydrophobicContact CB-CG 4.19Å; A74-F126 HydrophobicContact CB-CB 4.07Å
75	Y	92.2	Very high	85.1	Confident	4 Å²	4	24.8 Å²	24.8	2%	0.016	12%	0.124	C	C	.	.	H	α-helix	trans	-67.8	-39.3	177.8	-77.6	-108.7	0	0	0	111.8	L37 F69 L71 P73 Y78 L79 E125 L129 V362 L372	L37-Y75 HydrophobicContact CD1-CD1 3.67Å; L37-Y75 HydrophobicContact CD1-CE1 4.03Å; L37-Y75 HydrophobicContact CD2-CE1 4.28Å; F69-Y75 AromaticContact CE1-CD2 3.84Å; F69-Y75 HydrophobicContact CE1-CD2 3.84Å; F69-Y75 HydrophobicContact CE1-CE2 4.01Å; F69-Y75 HydrophobicContact CE1-CG 4.25Å; F69-Y75 HydrophobicContact CZ-CD2 4.24Å; F69-Y75 AromaticContact CZ-CE2 3.92Å; F69-Y75 HydrophobicContact CZ-CE2 3.92Å; L71-Y75 HydrophobicContact CB-CD2 4.18Å; L71-Y75 HydrophobicContact CB-CE2 4.1Å; L71-Y75 WeakPolarHBondContact O-CD2 3.01Å; L71-Y75 PolarHBondContact O-N 3.38Å; P73-Y75 VanDerWaalsContact C-N 3.32Å; P73-Y75 PolarHBondContact O-N 2.78Å; Y75-Y78 PolarHBondContact O-N 3.3Å; Y75-L79 WeakPolarHBondContact O-CB 3.49Å; Y75-L79 VanDerWaalsContact O-CG 3.26Å; Y75-L79 WeakPolarHBondContact O-CG 3.27Å; Y75-L79 PolarHBondContact O-N 2.71Å; Y75-E125 HydrophobicContact CD2-CG 4.35Å; Y75-E125 HydrophobicContact CE2-CG 3.64Å; Y75-E125 WeakPolarHBondContact CE2-OE1 3.41Å; Y75-E125 VanDerWaalsContact CZ-OE1 3.31Å; Y75-E125 PolarHBondContact OH-OE1 2.72Å; Y75-L129 HydrophobicContact CD2-CD1 4.2Å; Y75-L129 HydrophobicContact CE2-CD1 4.27Å; Y75-L129 HydrophobicContact CG-CD1 4.32Å; Y75-V362 HydrophobicContact CE1-CG2 4.27Å; Y75-V362 VanDerWaalsContact OH-CA 3.32Å; Y75-V362 WeakPolarHBondContact OH-CA 3.35Å; Y75-V362 VanDerWaalsContact OH-CB 3.26Å; Y75-V362 WeakPolarHBondContact OH-CB 3.49Å; Y75-V362 PolarHBondContact OH-N 3.09Å; Y75-L372 HydrophobicContact CD1-CD2 3.61Å; Y75-L372 HydrophobicContact CG-CD1 4.41Å; Y75-L372 HydrophobicContact CG-CD2 3.9Å
76	S	92.3	Very high	86.9	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.7	-40.8	178.5	-58.1	0	0	0	0	112.1	S72 P73 A80 Y375 L376	S72-S76 VanDerWaalsContact O-CB 3.32Å; S72-S76 WeakPolarHBondContact O-CB 3.25Å; S72-S76 PolarHBondContact O-N 3.11Å; S72-S76 PolarHBondContact O-OG 3.4Å; P73-S76 PolarHBondContact O-N 2.8Å; P73-S76 VanDerWaalsContact O-N 3.14Å; S76-A80 WeakPolarHBondContact O-CB 3.32Å; S76-A80 PolarHBondContact O-N 3.34Å; S76-Y375 WeakPolarHBondContact OG-CE1 3.49Å; S76-L376 WeakPolarHBondContact OG-CD2 3.4Å
77	L	94.1	Very high	88.4	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.1	-40.5	173.7	-66.2	178.4	0	0	0	111.9	L52 V55 M56 P73 L81 F95 I99 F103 F126	L52-L77 HydrophobicContact CD1-CD2 3.59Å; V55-L77 HydrophobicContact CB-CD2 4.45Å; V55-L77 HydrophobicContact CG1-CD2 3.77Å; V55-L77 HydrophobicContact CG1-CG 3.84Å; M56-L77 HydrophobicContact CE-CD1 4.29Å; M56-L77 HydrophobicContact CG-CD1 4.05Å; M56-L77 HydrophobicContact CG-CD2 4.25Å; M56-L77 HydrophobicContact SD-CD1 3.95Å; M56-L77 HydrophobicContact SD-CD2 4.42Å; P73-L77 VanDerWaalsContact O-CG 3.32Å; P73-L77 WeakPolarHBondContact O-CG 3.26Å; P73-L77 PolarHBondContact O-N 3.23Å; L77-L81 VanDerWaalsContact O-CB 3.25Å; L77-L81 WeakPolarHBondContact O-CB 3.49Å; L77-L81 PolarHBondContact O-N 3.05Å; L77-F95 HydrophobicContact CD2-CZ 4.41Å; L77-I99 HydrophobicContact CB-CD1 4.22Å; L77-I99 HydrophobicContact CD1-CG1 4.45Å; L77-I99 HydrophobicContact CD1-CG2 4.11Å; L77-I99 HydrophobicContact CD2-CD1 4.07Å; L77-I99 HydrophobicContact CD2-CG1 4.14Å; L77-F103 HydrophobicContact CD1-CE2 4.5Å; L77-F103 HydrophobicContact CD1-CZ 4.44Å; L77-F126 HydrophobicContact CB-CD2 3.85Å; L77-F126 HydrophobicContact CB-CE2 3.74Å
78	Y	93.2	Very high	89.5	Confident	4 Å²	4	27 Å²	27	2%	0.016	14%	0.139	C	C	.	.	H	α-helix	trans	-62.1	-49.5	174.8	169	-106.7	0	0	0	112	L35 L37 A74 Y75 A80 L81 R82 L129 V130 D133 L136	L35-Y78 PolarHBondContact O-OH 3.04Å; L37-Y78 HydrophobicContact CD1-CD1 3.94Å; L37-Y78 HydrophobicContact CD1-CE1 3.88Å; L37-Y78 HydrophobicContact CG-CE1 4.32Å; A74-Y78 WeakPolarHBondContact O-CB 3.39Å; A74-Y78 PolarHBondContact O-N 2.76Å; Y75-Y78 PolarHBondContact O-N 3.3Å; Y78-A80 VanDerWaalsContact C-N 3.34Å; Y78-A80 PolarHBondContact O-N 3.22Å; Y78-L81 PolarHBondContact O-N 2.75Å; Y78-R82 WeakPolarHBondContact O-CB 3.18Å; Y78-R82 PolarHBondContact O-N 2.72Å; Y78-L129 HydrophobicContact CD1-CD1 4.42Å; Y78-L129 HydrophobicContact CD1-CD2 4.42Å; Y78-L129 HydrophobicContact CD2-CB 3.73Å; Y78-L129 HydrophobicContact CE2-CB 4.18Å; Y78-L129 HydrophobicContact CG-CB 3.93Å; Y78-L129 HydrophobicContact CG-CD1 4.12Å; Y78-L129 HydrophobicContact CG-CG 4.45Å; Y78-V130 HydrophobicContact CD2-CG2 4.5Å; Y78-D133 HydrophobicContact CE2-CB 4.02Å; Y78-D133 PolarHBondContact OH-OD2 3.09Å; Y78-L136 HydrophobicContact CD2-CD1 3.93Å; Y78-L136 HydrophobicContact CE2-CD1 3.67Å
79	L	91.8	Very high	89.8	Confident	8 Å²	8	27.2 Å²	27.2	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-62.9	-39.3	179.3	-69.5	169.8	0	0	0	111.9	L37 L39 I41 Y75 S83 L376	L37-L79 HydrophobicContact CB-CD2 4.47Å; L37-L79 HydrophobicContact CD1-CD2 4.21Å; L39-L79 HydrophobicContact CB-CD1 4.01Å; L39-L79 HydrophobicContact CB-CD2 3.89Å; L39-L79 HydrophobicContact CD1-CD1 3.94Å; L39-L79 WeakPolarHBondContact O-CD2 3.32Å; I41-L79 HydrophobicContact CD1-CB 3.86Å; I41-L79 HydrophobicContact CG1-CB 3.92Å; I41-L79 HydrophobicContact CG2-CB 4.3Å; I41-L79 HydrophobicContact CG2-CD1 4.31Å; Y75-L79 WeakPolarHBondContact O-CB 3.49Å; Y75-L79 VanDerWaalsContact O-CG 3.26Å; Y75-L79 WeakPolarHBondContact O-CG 3.27Å; Y75-L79 PolarHBondContact O-N 2.71Å; L79-S83 WeakPolarHBondContact O-CB 3.34Å; L79-S83 PolarHBondContact O-N 3.17Å; L79-L376 HydrophobicContact CD1-CD1 3.97Å
80	A	92.1	Very high	89.7	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.3	-51.8	173.1	0	0	0	0	0	111.6	I41 I43 F51 S76 Y78 R82 S83 F84 F95	I41-A80 HydrophobicContact CD1-CB 4.09Å; I43-A80 HydrophobicContact CD1-CB 3.58Å; F51-A80 HydrophobicContact CE1-CB 3.72Å; F51-A80 HydrophobicContact CZ-CB 4.14Å; S76-A80 WeakPolarHBondContact O-CB 3.32Å; S76-A80 PolarHBondContact O-N 3.34Å; Y78-A80 VanDerWaalsContact C-N 3.34Å; Y78-A80 PolarHBondContact O-N 3.22Å; A80-R82 VanDerWaalsContact C-N 3.28Å; A80-R82 PolarHBondContact O-N 2.88Å; A80-S83 WeakPolarHBondContact O-CB 3.37Å; A80-S83 PolarHBondContact O-N 3.01Å; A80-F84 HydrophobicContact CB-CE2 4.19Å; A80-F84 WeakPolarHBondContact O-CD2 3.49Å; A80-F84 WeakPolarHBondContact O-CG 3.35Å; A80-F84 PolarHBondContact O-N 3.01Å; A80-F95 HydrophobicContact CB-CE1 3.61Å; A80-F95 HydrophobicContact CB-CZ 3.58Å
81	L	92.5	Very high	89.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.7	-39.7	178.7	179.1	65.8	0	0	0	111.8	L77 Y78 F84 H85 S92 F95 F96 F126 V130 L136 Y141	L77-L81 VanDerWaalsContact O-CB 3.25Å; L77-L81 WeakPolarHBondContact O-CB 3.49Å; L77-L81 PolarHBondContact O-N 3.05Å; Y78-L81 PolarHBondContact O-N 2.75Å; L81-F84 PolarHBondContact O-N 2.96Å; L81-H85 WeakPolarHBondContact O-CB 3.16Å; L81-H85 PolarHBondContact O-N 2.92Å; L81-S92 WeakPolarHBondContact CD1-O 3.19Å; L81-F95 HydrophobicContact CB-CD1 4.25Å; L81-F95 HydrophobicContact CB-CE1 4.3Å; L81-F95 HydrophobicContact CD1-CD1 4.25Å; L81-F96 HydrophobicContact CD1-CB 4.18Å; L81-F96 HydrophobicContact CD1-CD2 4.45Å; L81-F96 HydrophobicContact CD2-CD2 3.83Å; L81-F96 HydrophobicContact CD2-CE2 4.46Å; L81-F126 HydrophobicContact CD2-CE2 4.32Å; L81-F126 HydrophobicContact CD2-CZ 4Å; L81-V130 HydrophobicContact CD2-CG2 3.81Å; L81-L136 HydrophobicContact CD2-CD1 4.04Å; L81-L136 HydrophobicContact CG-CD1 4.29Å; L81-L136 HydrophobicContact CG-CD2 4.19Å; L81-Y141 HydrophobicContact CD1-CE1 4.27Å
82	R	90.1	Very high	89.3	Confident	39 Å²	39	29.6 Å²	29.6	15%	0.147	15%	0.151	C	C	.	.	H	α-helix	trans	-68.8	-38.7	178	-168.8	53.3	158	117.1	-14.8	112.6	Y78 A80 H85 T86 D133 E135	Y78-R82 WeakPolarHBondContact O-CB 3.18Å; Y78-R82 PolarHBondContact O-N 2.72Å; A80-R82 VanDerWaalsContact C-N 3.28Å; A80-R82 PolarHBondContact O-N 2.88Å; R82-H85 PolarHBondContact O-N 3.48Å; R82-T86 WeakPolarHBondContact O-CB 3.48Å; R82-T86 PolarHBondContact O-N 2.89Å; R82-T86 PolarHBondContact O-OG1 2.93Å; R82-D133 IonicContact CZ-OD1 2.67Å; R82-D133 IonicContact CZ-OD2 2.81Å; R82-D133 VanDerWaalsContact CZ-OD2 3.27Å; R82-D133 IonicContact NE-OD1 3.22Å; R82-D133 IonicContact NE-OD2 3.18Å; R82-D133 PolarHBondContact NE-OD2 3.3Å; R82-D133 IonicContact NH2-OD1 3.51Å; R82-D133 IonicContact NH2-OD2 2.6Å; R82-D133 PolarHBondContact NH2-OD2 2.84Å; R82-E135 IonicContact CZ-OE1 2.67Å; R82-E135 IonicContact CZ-OE2 2.65Å; R82-E135 IonicContact NH1-OE1 3.31Å; R82-E135 PolarHBondContact NH1-OE1 3.04Å; R82-E135 VanDerWaalsContact NH1-OE1 3.13Å; R82-E135 IonicContact NH1-OE2 3.44Å; R82-E135 PolarHBondContact NH1-OE2 2.99Å; R82-E135 IonicContact NH2-OE1 3.31Å; R82-E135 PolarHBondContact NH2-OE1 3.05Å; R82-E135 IonicContact NH2-OE2 2.68Å
83	S	88.3	Confident	89.2	Confident	20 Å²	20	33.4 Å²	33.4	14%	0.14	17%	0.174	C	C	.	.	H	α-helix	trans	-61.4	-49.9	172.5	-164.1	0	0	0	0	110.9	I41 L79 A80 H85 T86 H87	I41-S83 VanDerWaalsContact O-CB 3.24Å; I41-S83 WeakPolarHBondContact O-CB 3.17Å; I41-S83 PolarHBondContact O-OG 3.22Å; L79-S83 WeakPolarHBondContact O-CB 3.34Å; L79-S83 PolarHBondContact O-N 3.17Å; A80-S83 WeakPolarHBondContact O-CB 3.37Å; A80-S83 PolarHBondContact O-N 3.01Å; S83-H85 PolarHBondContact O-N 3.11Å; S83-T86 PolarHBondContact O-N 3.24Å; S83-T86 VanDerWaalsContact O-N 3.15Å; S83-H87 PolarHBondContact O-CD2 3.23Å; S83-H87 PolarHBondContact O-N 2.8Å
84	F	89	Confident	89	Confident	13 Å²	13	38.7 Å²	38.7	6%	0.057	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-35	175	-59.8	-47.8	0	0	0	113	I43 V48 A80 L81 T86 N88 K89 Y91 F95	I43-F84 HydrophobicContact CB-CZ 4.12Å; I43-F84 HydrophobicContact CD1-CE2 4.36Å; I43-F84 HydrophobicContact CD1-CZ 4.1Å; I43-F84 HydrophobicContact CG2-CZ 4.43Å; V48-F84 HydrophobicContact CB-CZ 4.3Å; V48-F84 HydrophobicContact CG1-CE2 3.78Å; V48-F84 HydrophobicContact CG1-CZ 3.57Å; V48-F84 HydrophobicContact CG2-CE1 4.18Å; V48-F84 HydrophobicContact CG2-CZ 3.75Å; A80-F84 HydrophobicContact CB-CE2 4.19Å; A80-F84 WeakPolarHBondContact O-CD2 3.49Å; A80-F84 WeakPolarHBondContact O-CG 3.35Å; A80-F84 PolarHBondContact O-N 3.01Å; L81-F84 PolarHBondContact O-N 2.96Å; F84-T86 VanDerWaalsContact C-N 3.27Å; F84-T86 PolarHBondContact O-N 3.42Å; F84-N88 CarbonylContact O-C 3.51Å; F84-N88 VanDerWaalsContact O-CA 3.3Å; F84-N88 WeakPolarHBondContact O-CA 3.44Å; F84-N88 PolarHBondContact O-N 3.18Å; F84-K89 PolarHBondContact O-N 3.48Å; F84-Y91 AromaticContact CD1-CD1 3.79Å; F84-Y91 HydrophobicContact CD1-CD1 3.79Å; F84-Y91 HydrophobicContact CD1-CE1 4.09Å; F84-Y91 HydrophobicContact CD2-CD1 4.46Å; F84-Y91 HydrophobicContact CE1-CD1 4.05Å; F84-Y91 AromaticContact CE1-CE1 3.87Å; F84-Y91 HydrophobicContact CE1-CE1 3.87Å; F84-Y91 HydrophobicContact CE2-CE1 4.37Å; F84-Y91 HydrophobicContact CG-CD1 4.03Å; F84-Y91 HydrophobicContact CG-CE1 4.46Å; F84-Y91 HydrophobicContact CZ-CE1 4.03Å; F84-F95 HydrophobicContact CD2-CB 4.27Å; F84-F95 AromaticContact CD2-CD1 3.8Å; F84-F95 HydrophobicContact CD2-CD1 3.8Å; F84-F95 HydrophobicContact CD2-CD2 4.22Å; F84-F95 HydrophobicContact CD2-CE1 4.14Å; F84-F95 AromaticContact CD2-CG 3.84Å; F84-F95 HydrophobicContact CD2-CG 3.84Å; F84-F95 HydrophobicContact CE2-CD1 4.06Å; F84-F95 AromaticContact CE2-CD2 3.82Å; F84-F95 HydrophobicContact CE2-CD2 3.82Å; F84-F95 HydrophobicContact CE2-CE1 4.07Å; F84-F95 AromaticContact CE2-CE2 3.85Å; F84-F95 HydrophobicContact CE2-CE2 3.85Å; F84-F95 AromaticContact CE2-CG 3.93Å; F84-F95 HydrophobicContact CE2-CG 3.93Å; F84-F95 AromaticContact CE2-CZ 3.98Å; F84-F95 HydrophobicContact CE2-CZ 3.98Å
85	H	88.3	Confident	88.9	Confident	7 Å²	7	38.7 Å²	38.7	3%	0.032	20%	0.199	C	C	.	.	H	α-helix	trans	-63.2	-36.7	173.8	-170.2	79.4	0	0	0	112	L81 R82 S83 K89 E135 L136 S139 Y141	L81-H85 WeakPolarHBondContact O-CB 3.16Å; L81-H85 PolarHBondContact O-N 2.92Å; R82-H85 PolarHBondContact O-N 3.48Å; S83-H85 PolarHBondContact O-N 3.11Å; H85-K89 WeakPolarHBondContact NE2-CE 3.45Å; H85-K89 PolarHBondContact NE2-NZ 3.35Å; H85-K89 VanDerWaalsContact O-CE 3.27Å; H85-K89 WeakPolarHBondContact O-CE 3.43Å; H85-K89 WeakPolarHBondContact O-CG 3.45Å; H85-E135 IonicContact CD2-OE2 3.52Å; H85-L136 HydrophobicContact CB-CD2 3.53Å; H85-S139 PolarHBondContact CE1-OG 3.04Å; H85-S139 PolarHBondContact ND1-OG 3.05Å; H85-Y141 PolarHBondContact ND1-OH 3.18Å
86	T	87	Confident	89	Confident	76 Å²	76	38.9 Å²	38.9	47%	0.466	20%	0.199	S	C	.	.	H	α-helix	trans	-74.2	-41	-178.1	-52	0	0	0	0	111.6	R82 S83 F84	R82-T86 WeakPolarHBondContact O-CB 3.48Å; R82-T86 PolarHBondContact O-N 2.89Å; R82-T86 PolarHBondContact O-OG1 2.93Å; S83-T86 PolarHBondContact O-N 3.24Å; S83-T86 VanDerWaalsContact O-N 3.15Å; F84-T86 VanDerWaalsContact C-N 3.27Å; F84-T86 PolarHBondContact O-N 3.42Å
87	H	82.9	Confident	89	Confident	148 Å²	148	41.6 Å²	41.6	69%	0.685	22%	0.219	S	C	*	.	H	α-helix	trans	-106.4	-27.4	-171.8	-61.3	-64.3	0	0	0	115.5	S83	S83-H87 PolarHBondContact O-CD2 3.23Å; S83-H87 PolarHBondContact O-N 2.8Å
88	N	84.6	Confident	89	Confident	61 Å²	61	47 Å²	47	33%	0.326	24%	0.239	S	C	.	.			trans	-149.7	71.6	-174.1	-167.8	-12.5	0	0	0	112.3	F84 P90 Y91 S92	F84-N88 CarbonylContact O-C 3.51Å; F84-N88 VanDerWaalsContact O-CA 3.3Å; F84-N88 WeakPolarHBondContact O-CA 3.44Å; F84-N88 PolarHBondContact O-N 3.18Å; N88-P90 WeakPolarHBondContact OD1-CD 3.47Å; N88-P90 WeakPolarHBondContact OD1-CG 3.49Å; N88-Y91 WeakPolarHBondContact ND2-CB 3.22Å; N88-Y91 WeakPolarHBondContact O-CB 3.46Å; N88-Y91 PolarHBondContact O-N 2.99Å; N88-Y91 WeakPolarHBondContact OD1-CB 3.42Å; N88-S92 PolarHBondContact O-N 2.59Å; N88-S92 VanDerWaalsContact O-N 3.1Å
89	K	81.5	Confident	89.1	Confident	114 Å²	114	46.8 Å²	46.8	50%	0.496	24%	0.238	S	C	.	.	H	α-helix	trans	-49.7	-46.8	-175.7	-67.5	-169.4	-170.2	-136.7	0	115.7	F84 H85 Y91 S92	F84-K89 PolarHBondContact O-N 3.48Å; H85-K89 WeakPolarHBondContact NE2-CE 3.45Å; H85-K89 PolarHBondContact NE2-NZ 3.35Å; H85-K89 VanDerWaalsContact O-CE 3.27Å; H85-K89 WeakPolarHBondContact O-CE 3.43Å; H85-K89 WeakPolarHBondContact O-CG 3.45Å; K89-Y91 VanDerWaalsContact C-N 3.28Å; K89-Y91 PolarHBondContact O-N 3.44Å; K89-S92 WeakPolarHBondContact O-CB 3.42Å; K89-S92 PolarHBondContact O-N 3.29Å; K89-S92 PolarHBondContact O-OG 2.81Å
90	P	83.4	Confident	89.2	Confident	93 Å²	93	48.7 Å²	48.7	60%	0.604	25%	0.247	S	C	*	.	H	α-helix	trans	-64.5	-33.9	179.5	25.4	-33.7	0	0	0	112.4	N88 V93	N88-P90 WeakPolarHBondContact OD1-CD 3.47Å; N88-P90 WeakPolarHBondContact OD1-CG 3.49Å; P90-V93 PolarHBondContact O-N 2.86Å
91	Y	84.3	Confident	89.3	Confident	31 Å²	31	51.2 Å²	51.2	12%	0.122	26%	0.264	C	S	.	.	H	α-helix	trans	-69.8	-34.7	176.9	-167.1	-113.3	0	0	0	112.4	V48 W49 F84 N88 K89 V93 Q94 F95	V48-Y91 HydrophobicContact CB-CE1 4.29Å; V48-Y91 WeakPolarHBondContact CB-OH 3.14Å; V48-Y91 HydrophobicContact CG1-CE1 3.87Å; V48-Y91 WeakPolarHBondContact CG1-OH 3.5Å; V48-Y91 HydrophobicContact CG2-CE1 3.95Å; V48-Y91 WeakPolarHBondContact CG2-OH 3.38Å; W49-Y91 AromaticContact CZ2-CE2 3.96Å; W49-Y91 HydrophobicContact CZ2-CE2 3.96Å; F84-Y91 AromaticContact CD1-CD1 3.79Å; F84-Y91 HydrophobicContact CD1-CD1 3.79Å; F84-Y91 HydrophobicContact CD1-CE1 4.09Å; F84-Y91 HydrophobicContact CD2-CD1 4.46Å; F84-Y91 HydrophobicContact CE1-CD1 4.05Å; F84-Y91 AromaticContact CE1-CE1 3.87Å; F84-Y91 HydrophobicContact CE1-CE1 3.87Å; F84-Y91 HydrophobicContact CE2-CE1 4.37Å; F84-Y91 HydrophobicContact CG-CD1 4.03Å; F84-Y91 HydrophobicContact CG-CE1 4.46Å; F84-Y91 HydrophobicContact CZ-CE1 4.03Å; N88-Y91 WeakPolarHBondContact ND2-CB 3.22Å; N88-Y91 WeakPolarHBondContact O-CB 3.46Å; N88-Y91 PolarHBondContact O-N 2.99Å; N88-Y91 WeakPolarHBondContact OD1-CB 3.42Å; K89-Y91 VanDerWaalsContact C-N 3.28Å; K89-Y91 PolarHBondContact O-N 3.44Å; Y91-V93 PolarHBondContact O-N 2.82Å; Y91-Q94 PolarHBondContact O-N 3.41Å; Y91-Q94 VanDerWaalsContact O-N 3.11Å; Y91-F95 WeakPolarHBondContact O-CB 3.49Å; Y91-F95 PolarHBondContact O-N 3.26Å
92	S	89.2	Confident	89.4	Confident	1 Å²	1	52 Å²	52	1%	0.007	27%	0.269	C	S	.	.	H	α-helix	trans	-57.1	-32	174.2	80	0	0	0	0	113.5	L81 N88 K89 F96 Y141	L81-S92 WeakPolarHBondContact CD1-O 3.19Å; N88-S92 PolarHBondContact O-N 2.59Å; N88-S92 VanDerWaalsContact O-N 3.1Å; K89-S92 WeakPolarHBondContact O-CB 3.42Å; K89-S92 PolarHBondContact O-N 3.29Å; K89-S92 PolarHBondContact O-OG 2.81Å; S92-F96 WeakPolarHBondContact O-CB 3.15Å; S92-F96 PolarHBondContact O-N 2.91Å; S92-Y141 WeakPolarHBondContact CB-OH 3.49Å; S92-Y141 PolarHBondContact OG-OH 2.95Å
93	V	89.1	Confident	89.7	Confident	79 Å²	79	50.2 Å²	50.2	48%	0.479	26%	0.262	S	S	.	.	H	α-helix	trans	-73	-40.6	177.5	-178.2	0	0	0	0	111.1	P90 Y91 F96 S97 Y141	P90-V93 PolarHBondContact O-N 2.86Å; Y91-V93 PolarHBondContact O-N 2.82Å; V93-F96 PolarHBondContact O-N 2.89Å; V93-S97 WeakPolarHBondContact O-CB 3.34Å; V93-S97 PolarHBondContact O-N 2.68Å; V93-Y141 HydrophobicContact CB-CE1 4.49Å; V93-Y141 HydrophobicContact CG2-CD1 4.38Å; V93-Y141 HydrophobicContact CG2-CE1 3.92Å
94	Q	89.5	Confident	90	Very high	115 Å²	115	53.6 Å²	53.6	54%	0.537	27%	0.274	S	S	.	.	H	α-helix	trans	-65	-43.1	175	-63.3	-179.6	-5	0	0	111.1	Y91 S97 R98	Y91-Q94 PolarHBondContact O-N 3.41Å; Y91-Q94 VanDerWaalsContact O-N 3.11Å; Q94-S97 PolarHBondContact O-N 3.24Å; Q94-R98 PolarHBondContact O-N 2.91Å
95	F	92.4	Very high	90.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.1	-48.3	175.6	-171.5	-108.9	0	0	0	111.6	V48 W49 F51 L52 L77 A80 L81 F84 Y91 S97 R98 I99	V48-F95 HydrophobicContact CG1-CD2 3.72Å; V48-F95 HydrophobicContact CG1-CE2 3.73Å; W49-F95 HydrophobicContact CZ3-CD2 4.38Å; F51-F95 HydrophobicContact CE1-CZ 4.42Å; L52-F95 HydrophobicContact CB-CE2 4.17Å; L52-F95 HydrophobicContact CD1-CE2 4.19Å; L52-F95 HydrophobicContact CD1-CZ 4.32Å; L52-F95 HydrophobicContact CD2-CE2 4.37Å; L52-F95 HydrophobicContact CG-CE2 4.48Å; L77-F95 HydrophobicContact CD2-CZ 4.41Å; A80-F95 HydrophobicContact CB-CE1 3.61Å; A80-F95 HydrophobicContact CB-CZ 3.58Å; L81-F95 HydrophobicContact CB-CD1 4.25Å; L81-F95 HydrophobicContact CB-CE1 4.3Å; L81-F95 HydrophobicContact CD1-CD1 4.25Å; F84-F95 HydrophobicContact CD2-CB 4.27Å; F84-F95 AromaticContact CD2-CD1 3.8Å; F84-F95 HydrophobicContact CD2-CD1 3.8Å; F84-F95 HydrophobicContact CD2-CD2 4.22Å; F84-F95 HydrophobicContact CD2-CE1 4.14Å; F84-F95 AromaticContact CD2-CG 3.84Å; F84-F95 HydrophobicContact CD2-CG 3.84Å; F84-F95 HydrophobicContact CE2-CD1 4.06Å; F84-F95 AromaticContact CE2-CD2 3.82Å; F84-F95 HydrophobicContact CE2-CD2 3.82Å; F84-F95 HydrophobicContact CE2-CE1 4.07Å; F84-F95 AromaticContact CE2-CE2 3.85Å; F84-F95 HydrophobicContact CE2-CE2 3.85Å; F84-F95 AromaticContact CE2-CG 3.93Å; F84-F95 HydrophobicContact CE2-CG 3.93Å; F84-F95 AromaticContact CE2-CZ 3.98Å; F84-F95 HydrophobicContact CE2-CZ 3.98Å; Y91-F95 WeakPolarHBondContact O-CB 3.49Å; Y91-F95 PolarHBondContact O-N 3.26Å; F95-S97 PolarHBondContact O-N 3.04Å; F95-R98 PolarHBondContact O-N 3.03Å; F95-I99 HydrophobicContact CD1-CD1 3.73Å; F95-I99 HydrophobicContact CE1-CD1 3.55Å; F95-I99 HydrophobicContact CG-CD1 4.49Å; F95-I99 HydrophobicContact CZ-CD1 4.16Å; F95-I99 WeakPolarHBondContact O-CG1 3.42Å; F95-I99 PolarHBondContact O-N 3.32Å
96	F	94.1	Very high	90.5	Very high	7 Å²	7	57.1 Å²	57.1	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-58.7	-47.2	175.3	-171.7	-80	0	0	0	112.4	L81 S92 V93 R98 I99 E100 F126 V130 Y141 G142 I144	L81-F96 HydrophobicContact CD1-CB 4.18Å; L81-F96 HydrophobicContact CD1-CD2 4.45Å; L81-F96 HydrophobicContact CD2-CD2 3.83Å; L81-F96 HydrophobicContact CD2-CE2 4.46Å; S92-F96 WeakPolarHBondContact O-CB 3.15Å; S92-F96 PolarHBondContact O-N 2.91Å; V93-F96 PolarHBondContact O-N 2.89Å; F96-R98 PolarHBondContact O-N 2.98Å; F96-I99 WeakPolarHBondContact O-CB 3.37Å; F96-I99 PolarHBondContact O-N 3.34Å; F96-I99 VanDerWaalsContact O-N 3.1Å; F96-E100 HydrophobicContact CE1-CB 4.43Å; F96-E100 PolarHBondContact O-N 3.17Å; F96-F126 HydrophobicContact CD2-CE1 4.48Å; F96-F126 HydrophobicContact CD2-CZ 4.31Å; F96-F126 AromaticContact CE2-CE1 3.96Å; F96-F126 HydrophobicContact CE2-CE1 3.96Å; F96-F126 HydrophobicContact CE2-CZ 4.18Å; F96-V130 HydrophobicContact CE2-CG1 4.28Å; F96-Y141 HydrophobicContact CB-CD1 3.77Å; F96-Y141 HydrophobicContact CB-CE1 4.23Å; F96-Y141 HydrophobicContact CB-CG 4.41Å; F96-Y141 HydrophobicContact CD1-CD1 4.44Å; F96-Y141 HydrophobicContact CD1-CG 4.49Å; F96-Y141 HydrophobicContact CD2-CD1 4.12Å; F96-Y141 HydrophobicContact CD2-CD2 4.42Å; F96-Y141 AromaticContact CD2-CG 3.89Å; F96-Y141 HydrophobicContact CD2-CG 3.89Å; F96-Y141 HydrophobicContact CE2-CG 4.32Å; F96-Y141 AromaticContact CG-CD1 3.84Å; F96-Y141 HydrophobicContact CG-CD1 3.84Å; F96-Y141 AromaticContact CG-CG 3.99Å; F96-Y141 HydrophobicContact CG-CG 3.99Å; F96-G142 VanDerWaalsContact CE1-O 3.3Å; F96-G142 WeakPolarHBondContact CE1-O 3.42Å; F96-G142 WeakPolarHBondContact CZ-O 3.44Å; F96-I144 HydrophobicContact CZ-CB 4.46Å; F96-I144 HydrophobicContact CZ-CD1 4.33Å
97	S	92.6	Very high	90.8	Very high	58 Å²	58	53.7 Å²	53.7	41%	0.406	27%	0.271	S	S	.	.	H	α-helix	trans	-63.1	-30.5	180	-173.6	0	0	0	0	112.5	V93 Q94 F95 S101	V93-S97 WeakPolarHBondContact O-CB 3.34Å; V93-S97 PolarHBondContact O-N 2.68Å; Q94-S97 PolarHBondContact O-N 3.24Å; F95-S97 PolarHBondContact O-N 3.04Å; S97-S101 WeakPolarHBondContact O-CB 3.42Å; S97-S101 PolarHBondContact O-N 2.7Å; S97-S101 PolarHBondContact O-OG 3.22Å
98	R	93.3	Very high	91.3	Very high	112 Å²	112	51.8 Å²	51.8	42%	0.423	26%	0.262	S	S	.	.	H	α-helix	trans	-73.7	-36.6	173.2	-161.2	70.9	-179.6	90.3	-0.4	112.5	W49 L52 Q94 F95 F96 S101 N102	W49-R98 HydrophobicContact CE3-CG 4.29Å; W49-R98 HydrophobicContact CZ3-CB 3.82Å; W49-R98 HydrophobicContact CZ3-CG 3.89Å; L52-R98 HydrophobicContact CD2-CB 3.76Å; L52-R98 HydrophobicContact CD2-CG 3.47Å; L52-R98 VanDerWaalsContact CD2-CG 3.47Å; Q94-R98 PolarHBondContact O-N 2.91Å; F95-R98 PolarHBondContact O-N 3.03Å; F96-R98 PolarHBondContact O-N 2.98Å; R98-S101 PolarHBondContact O-N 3.13Å; R98-N102 PolarHBondContact NH1-OD1 3.32Å; R98-N102 VanDerWaalsContact O-CG 3.25Å; R98-N102 PolarHBondContact O-N 2.93Å; R98-N102 PolarHBondContact O-OD1 3.17Å
99	I	95.3	Very high	91.5	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-49.6	171.3	-67.8	164.3	0	0	0	110.6	L52 M56 L77 F95 F96 S101 N102 F103 F126 I144	L52-I99 HydrophobicContact CD1-CD1 4.49Å; L52-I99 HydrophobicContact CD1-CG1 3.62Å; M56-I99 HydrophobicContact CE-CG2 4.3Å; M56-I99 HydrophobicContact SD-CB 4.4Å; M56-I99 HydrophobicContact SD-CG1 4.27Å; M56-I99 HydrophobicContact SD-CG2 4.21Å; L77-I99 HydrophobicContact CB-CD1 4.22Å; L77-I99 HydrophobicContact CD1-CG1 4.45Å; L77-I99 HydrophobicContact CD1-CG2 4.11Å; L77-I99 HydrophobicContact CD2-CD1 4.07Å; L77-I99 HydrophobicContact CD2-CG1 4.14Å; F95-I99 HydrophobicContact CD1-CD1 3.73Å; F95-I99 HydrophobicContact CE1-CD1 3.55Å; F95-I99 HydrophobicContact CG-CD1 4.49Å; F95-I99 HydrophobicContact CZ-CD1 4.16Å; F95-I99 WeakPolarHBondContact O-CG1 3.42Å; F95-I99 PolarHBondContact O-N 3.32Å; F96-I99 WeakPolarHBondContact O-CB 3.37Å; F96-I99 PolarHBondContact O-N 3.34Å; F96-I99 VanDerWaalsContact O-N 3.1Å; I99-S101 VanDerWaalsContact C-N 3.31Å; I99-S101 PolarHBondContact O-N 2.93Å; I99-N102 PolarHBondContact O-N 3.16Å; I99-N102 VanDerWaalsContact O-N 3.11Å; I99-F103 HydrophobicContact CG2-CD2 3.68Å; I99-F103 HydrophobicContact CG2-CE2 3.42Å; I99-F103 VanDerWaalsContact CG2-CE2 3.42Å; I99-F103 WeakPolarHBondContact O-CD2 3.26Å; I99-F103 PolarHBondContact O-N 3.03Å; I99-F126 HydrophobicContact CD1-CE2 4.46Å; I99-F126 HydrophobicContact CD1-CZ 4.02Å; I99-F126 HydrophobicContact CG2-CD1 4.49Å; I99-F126 HydrophobicContact CG2-CE1 3.92Å; I99-F126 HydrophobicContact CG2-CZ 4.17Å; I99-I144 HydrophobicContact CG2-CD1 3.99Å
100	E	94.8	Very high	92	Very high	49 Å²	49	50.1 Å²	50.1	23%	0.229	26%	0.255	C	S	.	.	H	α-helix	trans	-56.3	-44.5	175.2	-178.9	175.1	-151.7	0	0	111.5	F96 N102 F103 K104 I144 E147	F96-E100 HydrophobicContact CE1-CB 4.43Å; F96-E100 PolarHBondContact O-N 3.17Å; E100-N102 VanDerWaalsContact C-N 3.35Å; E100-N102 PolarHBondContact O-N 2.82Å; E100-F103 PolarHBondContact O-N 3.29Å; E100-K104 WeakPolarHBondContact O-CB 3.39Å; E100-K104 PolarHBondContact O-N 2.65Å; E100-I144 HydrophobicContact CB-CD1 4.38Å; E100-I144 HydrophobicContact CB-CG1 4.31Å; E100-I144 HydrophobicContact CG-CG1 4.38Å; E100-E147 HydrophobicContact CG-CG 4.4Å
101	S	94.1	Very high	92.3	Very high	52 Å²	52	50 Å²	50	36%	0.364	26%	0.257	S	S	.	.	H	α-helix	trans	-62.8	-36.9	175.3	-59.5	0	0	0	0	113.3	S97 R98 I99 Q105	S97-S101 WeakPolarHBondContact O-CB 3.42Å; S97-S101 PolarHBondContact O-N 2.7Å; S97-S101 PolarHBondContact O-OG 3.22Å; R98-S101 PolarHBondContact O-N 3.13Å; I99-S101 VanDerWaalsContact C-N 3.31Å; I99-S101 PolarHBondContact O-N 2.93Å; S101-Q105 WeakPolarHBondContact O-CB 3.5Å; S101-Q105 PolarHBondContact O-N 2.8Å
102	N	94.8	Very high	92.7	Very high	18 Å²	18	50.4 Å²	50.4	10%	0.096	26%	0.264	C	S	.	.	H	α-helix	trans	-71.2	-42	177.7	-73	-7.9	0	0	0	111.8	M56 R98 I99 E100 K104 Q105 I106	M56-N102 HydrophobicContact CE-CB 3.53Å; M56-N102 HydrophobicContact SD-CB 3.53Å; M56-N102 VanDerWaalsContact SD-CB 3.53Å; M56-N102 PolarHBondContact SD-ND2 3.48Å; R98-N102 PolarHBondContact NH1-OD1 3.32Å; R98-N102 VanDerWaalsContact O-CG 3.25Å; R98-N102 PolarHBondContact O-N 2.93Å; R98-N102 PolarHBondContact O-OD1 3.17Å; I99-N102 PolarHBondContact O-N 3.16Å; I99-N102 VanDerWaalsContact O-N 3.11Å; E100-N102 VanDerWaalsContact C-N 3.35Å; E100-N102 PolarHBondContact O-N 2.82Å; N102-K104 VanDerWaalsContact C-N 3.32Å; N102-K104 PolarHBondContact O-N 3.16Å; N102-Q105 WeakPolarHBondContact O-CB 3.21Å; N102-Q105 PolarHBondContact O-N 2.67Å; N102-I106 WeakPolarHBondContact O-CG1 3.31Å; N102-I106 PolarHBondContact O-N 3.04Å
103	F	95.6	Very high	92.9	Very high	1 Å²	1	52.5 Å²	52.5	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-63.5	-38.3	173.8	-76.4	-61.1	0	0	0	112.2	M56 L77 I99 E100 Q105 I106 A107 W119 A123 F126 I144 E147 I151	M56-F103 HydrophobicContact CE-CD1 3.94Å; M56-F103 HydrophobicContact CE-CD2 3.76Å; M56-F103 HydrophobicContact CE-CE1 3.83Å; M56-F103 HydrophobicContact CE-CE2 3.68Å; M56-F103 HydrophobicContact CE-CG 3.92Å; M56-F103 HydrophobicContact CE-CZ 3.71Å; L77-F103 HydrophobicContact CD1-CE2 4.5Å; L77-F103 HydrophobicContact CD1-CZ 4.44Å; I99-F103 HydrophobicContact CG2-CD2 3.68Å; I99-F103 HydrophobicContact CG2-CE2 3.42Å; I99-F103 VanDerWaalsContact CG2-CE2 3.42Å; I99-F103 WeakPolarHBondContact O-CD2 3.26Å; I99-F103 PolarHBondContact O-N 3.03Å; E100-F103 PolarHBondContact O-N 3.29Å; F103-Q105 VanDerWaalsContact C-N 3.35Å; F103-I106 HydrophobicContact CD1-CD1 4.19Å; F103-I106 PolarHBondContact O-N 3.2Å; F103-A107 WeakPolarHBondContact O-CB 3.41Å; F103-A107 PolarHBondContact O-N 3.31Å; F103-W119 AromaticContact CE1-CE3 4Å; F103-W119 HydrophobicContact CE1-CE3 4Å; F103-A123 HydrophobicContact CD1-CB 3.77Å; F103-A123 HydrophobicContact CE1-CB 3.51Å; F103-A123 HydrophobicContact CE2-CB 4.42Å; F103-A123 HydrophobicContact CG-CB 4.36Å; F103-A123 HydrophobicContact CZ-CB 3.86Å; F103-F126 HydrophobicContact CE2-CD1 4.32Å; F103-I144 HydrophobicContact CD2-CD1 3.54Å; F103-I144 HydrophobicContact CD2-CG1 4.22Å; F103-I144 HydrophobicContact CE2-CD1 3.9Å; F103-E147 HydrophobicContact CB-CB 4.17Å; F103-I151 HydrophobicContact CB-CD1 4.28Å; F103-I151 HydrophobicContact CD1-CD1 3.89Å; F103-I151 HydrophobicContact CG-CD1 4.49Å
104	K	94.7	Very high	93	Very high	91 Å²	91	51.2 Å²	51.2	40%	0.396	26%	0.263	S	S	.	.	H	α-helix	trans	-60	-43	170.9	-178.5	178.7	174.2	-173.7	0	112.4	E100 N102 A107 Q108 E147	E100-K104 WeakPolarHBondContact O-CB 3.39Å; E100-K104 PolarHBondContact O-N 2.65Å; N102-K104 VanDerWaalsContact C-N 3.32Å; N102-K104 PolarHBondContact O-N 3.16Å; K104-A107 PolarHBondContact O-N 3.44Å; K104-Q108 WeakPolarHBondContact O-CG 3.12Å; K104-Q108 PolarHBondContact O-N 2.95Å; K104-E147 WeakPolarHBondContact CA-OE2 3.35Å; K104-E147 HydrophobicContact CB-CG 4.2Å; K104-E147 WeakPolarHBondContact CB-OE2 3.42Å; K104-E147 WeakPolarHBondContact CG-OE2 3.44Å
105	Q	94	Very high	93.2	Very high	78 Å²	78	46.8 Å²	46.8	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-63.1	-46.8	176.2	-173	178.8	-11.1	0	0	111.3	S101 N102 F103 A107 Q108 E109	S101-Q105 WeakPolarHBondContact O-CB 3.5Å; S101-Q105 PolarHBondContact O-N 2.8Å; N102-Q105 WeakPolarHBondContact O-CB 3.21Å; N102-Q105 PolarHBondContact O-N 2.67Å; F103-Q105 VanDerWaalsContact C-N 3.35Å; Q105-A107 VanDerWaalsContact C-N 3.28Å; Q105-A107 PolarHBondContact O-N 3.44Å; Q105-Q108 PolarHBondContact O-N 3.22Å; Q105-E109 HydrophobicContact CG-CG 4.16Å; Q105-E109 WeakPolarHBondContact CG-OE1 3.23Å; Q105-E109 WeakPolarHBondContact CG-OE2 3.38Å; Q105-E109 PolarHBondContact NE2-OE1 2.9Å; Q105-E109 PolarHBondContact NE2-OE2 2.94Å; Q105-E109 PolarHBondContact O-N 2.9Å
106	I	93.3	Very high	93.4	Very high	15 Å²	15	46.8 Å²	46.8	8%	0.077	24%	0.244	C	C	.	.	H	α-helix	trans	-54.3	-45.1	173.9	-70.9	159.3	0	0	0	110.9	M56 N102 F103 Q108 C110 W119	M56-I106 HydrophobicContact CE-CD1 4.34Å; N102-I106 WeakPolarHBondContact O-CG1 3.31Å; N102-I106 PolarHBondContact O-N 3.04Å; F103-I106 HydrophobicContact CD1-CD1 4.19Å; F103-I106 PolarHBondContact O-N 3.2Å; I106-Q108 PolarHBondContact O-N 3.29Å; I106-C110 HydrophobicContact CG2-CB 4.33Å; I106-C110 WeakPolarHBondContact O-CB 3.36Å; I106-C110 PolarHBondContact O-N 3.39Å; I106-W119 HydrophobicContact CD1-CD2 3.71Å; I106-W119 HydrophobicContact CD1-CE3 4.17Å; I106-W119 HydrophobicContact CD1-CG 3.9Å; I106-W119 HydrophobicContact CD1-CZ2 4.44Å; I106-W119 HydrophobicContact CG1-CG 4.49Å; I106-W119 HydrophobicContact CG2-CB 3.81Å; I106-W119 HydrophobicContact CG2-CG 3.75Å
107	A	93.5	Very high	93.5	Very high	5 Å²	5	46.5 Å²	46.5	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-16.8	179.3	0	0	0	0	0	114.6	F103 K104 Q105 R150 I151 R154	F103-A107 WeakPolarHBondContact O-CB 3.41Å; F103-A107 PolarHBondContact O-N 3.31Å; K104-A107 PolarHBondContact O-N 3.44Å; Q105-A107 VanDerWaalsContact C-N 3.28Å; Q105-A107 PolarHBondContact O-N 3.44Å; A107-R150 HydrophobicContact CB-CB 3.98Å; A107-R150 HydrophobicContact CB-CG 3.76Å; A107-I151 HydrophobicContact CB-CG1 3.7Å; A107-R154 WeakPolarHBondContact O-CG 3.27Å
108	Q	92.6	Very high	93.6	Very high	107 Å²	107	43.8 Å²	43.8	50%	0.5	22%	0.223	S	C	.	.	H	α-helix	trans	-102.6	-43.5	-178.9	-70.6	179.5	-35.1	0	0	112.4	K104 Q105 I106 R154	K104-Q108 WeakPolarHBondContact O-CG 3.12Å; K104-Q108 PolarHBondContact O-N 2.95Å; Q105-Q108 PolarHBondContact O-N 3.22Å; I106-Q108 PolarHBondContact O-N 3.29Å; Q108-R154 PolarHBondContact O-NH1 3.06Å; Q108-R154 PolarHBondContact O-NH2 3.25Å
109	E	90.6	Very high	93.7	Very high	129 Å²	129	38.5 Å²	38.5	60%	0.603	20%	0.203	S	C	*	.	H	α-helix	trans	-93.5	-32.5	-171.6	-65.8	177.6	-175.6	0	0	113.1	Q105	Q105-E109 HydrophobicContact CG-CG 4.16Å; Q105-E109 WeakPolarHBondContact CG-OE1 3.23Å; Q105-E109 WeakPolarHBondContact CG-OE2 3.38Å; Q105-E109 PolarHBondContact NE2-OE1 2.9Å; Q105-E109 PolarHBondContact NE2-OE2 2.94Å; Q105-E109 PolarHBondContact O-N 2.9Å
110	C	90.3	Very high	93.8	Very high	12 Å²	12	38.5 Å²	38.5	8%	0.081	20%	0.203	C	C	.	.			trans	-70.7	137.2	-175.3	-165.8	0	0	0	0	112.1	I106 L116 R154	I106-C110 HydrophobicContact CG2-CB 4.33Å; I106-C110 WeakPolarHBondContact O-CB 3.36Å; I106-C110 PolarHBondContact O-N 3.39Å; C110-L116 HydrophobicContact CB-CD2 3.95Å; C110-L116 HydrophobicContact CB-CG 4.12Å; C110-R154 VanDerWaalsContact O-CZ 3.26Å; C110-R154 PolarHBondContact O-NE 2.88Å; C110-R154 PolarHBondContact O-NH2 3.36Å
111	S	90	Very high	93.8	Very high	90 Å²	90	36.2 Å²	36.2	63%	0.629	19%	0.193	S	C	*	.			trans	-122	-11.5	179.7	55	0	0	0	0	113.6	V158	S111-V158 WeakPolarHBondContact O-CG1 3.2Å
112	S	92.6	Very high	93.9	Very high	40 Å²	40	33.8 Å²	33.8	28%	0.28	18%	0.176	S	C	.	.			trans	-80.4	123	178.5	166	0	0	0	0	110.2	D114 D115 L116	S112-D114 PolarHBondContact O-N 3.28Å; S112-D115 WeakPolarHBondContact CB-OD2 3.5Å; S112-D115 PolarHBondContact OG-N 3.01Å; S112-D115 PolarHBondContact OG-OD2 3.36Å; S112-L116 WeakPolarHBondContact O-CB 2.98Å; S112-L116 WeakPolarHBondContact O-CD1 3.37Å; S112-L116 VanDerWaalsContact O-CG 3.3Å; S112-L116 WeakPolarHBondContact O-CG 3.24Å; S112-L116 PolarHBondContact O-N 2.92Å
113	K	93.6	Very high	93.9	Very high	45 Å²	45	32.9 Å²	32.9	20%	0.196	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-37.3	176.3	55.8	131.4	-174.9	144.7	0	112.1	L116 I117 L155 V158 L159	K113-L116 PolarHBondContact O-N 3.44Å; K113-I117 WeakPolarHBondContact O-CD1 3.45Å; K113-I117 WeakPolarHBondContact O-CG1 3.34Å; K113-I117 PolarHBondContact O-N 2.76Å; K113-L155 HydrophobicContact CB-CD1 3.99Å; K113-L155 WeakPolarHBondContact O-CD1 3.44Å; K113-V158 HydrophobicContact CB-CG1 4.12Å; K113-L159 HydrophobicContact CB-CD2 3.94Å; K113-L159 HydrophobicContact CB-CG 4.42Å; K113-L159 HydrophobicContact CD-CD2 3.96Å; K113-L159 HydrophobicContact CG-CD2 4.37Å
114	D	92.6	Very high	94	Very high	51 Å²	51	32.9 Å²	32.9	27%	0.273	17%	0.171	S	C	.	.	H	α-helix	trans	-78.3	-32.5	-172.7	-59	-47	0	0	0	112	S112 F118 Q194	S112-D114 PolarHBondContact O-N 3.28Å; D114-F118 WeakPolarHBondContact O-CB 3.44Å; D114-F118 PolarHBondContact O-N 2.81Å; D114-F118 VanDerWaalsContact O-N 3.11Å; D114-Q194 HydrophobicContact CB-CG 3.99Å; D114-Q194 WeakPolarHBondContact OD1-CG 3.48Å
115	D	92.8	Very high	94	Very high	23 Å²	23	28.8 Å²	28.8	12%	0.123	15%	0.153	C	C	.	.	H	α-helix	trans	-71.6	-39.6	170	-63.8	-47.5	0	0	0	111.7	A61 T62 S112 I117 F118 W119	A61-D115 HydrophobicContact CB-CB 4.34Å; A61-D115 WeakPolarHBondContact CB-OD1 3.15Å; T62-D115 WeakPolarHBondContact CG2-OD1 3.38Å; S112-D115 WeakPolarHBondContact CB-OD2 3.5Å; S112-D115 PolarHBondContact OG-N 3.01Å; S112-D115 PolarHBondContact OG-OD2 3.36Å; D115-I117 VanDerWaalsContact C-N 3.34Å; D115-I117 PolarHBondContact O-N 2.94Å; D115-F118 WeakPolarHBondContact O-CB 3.28Å; D115-F118 PolarHBondContact O-N 3.13Å; D115-W119 WeakPolarHBondContact O-CB 3.37Å; D115-W119 PolarHBondContact O-N 3.08Å
116	L	95.7	Very high	94	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64	-37.9	175.4	-77.4	164.6	0	0	0	111.9	C110 S112 K113 L120 I151 R154 L155 V158	C110-L116 HydrophobicContact CB-CD2 3.95Å; C110-L116 HydrophobicContact CB-CG 4.12Å; S112-L116 WeakPolarHBondContact O-CB 2.98Å; S112-L116 WeakPolarHBondContact O-CD1 3.37Å; S112-L116 VanDerWaalsContact O-CG 3.3Å; S112-L116 WeakPolarHBondContact O-CG 3.24Å; S112-L116 PolarHBondContact O-N 2.92Å; K113-L116 PolarHBondContact O-N 3.44Å; L116-L120 VanDerWaalsContact O-CB 3.23Å; L116-L120 WeakPolarHBondContact O-CB 3.42Å; L116-L120 PolarHBondContact O-N 3.15Å; L116-I151 HydrophobicContact CD2-CG2 4.11Å; L116-R154 HydrophobicContact CD1-CG 3.87Å; L116-R154 HydrophobicContact CD2-CB 4.32Å; L116-R154 HydrophobicContact CD2-CG 3.85Å; L116-L155 HydrophobicContact CB-CB 4.15Å; L116-L155 HydrophobicContact CB-CD1 3.93Å; L116-V158 HydrophobicContact CD1-CB 4.43Å; L116-V158 HydrophobicContact CD1-CG2 3.88Å
117	I	96.1	Very high	94	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.6	-46.7	171.9	-71.3	161.5	0	0	0	111	K113 D115 W119 L120 A121 L155 T191 Q194 A195 C198	K113-I117 WeakPolarHBondContact O-CD1 3.45Å; K113-I117 WeakPolarHBondContact O-CG1 3.34Å; K113-I117 PolarHBondContact O-N 2.76Å; D115-I117 VanDerWaalsContact C-N 3.34Å; D115-I117 PolarHBondContact O-N 2.94Å; I117-W119 PolarHBondContact O-N 2.75Å; I117-L120 PolarHBondContact O-N 3.37Å; I117-A121 PolarHBondContact O-N 3.14Å; I117-L155 HydrophobicContact CD1-CD1 4.37Å; I117-L155 HydrophobicContact CG1-CD1 3.91Å; I117-L155 HydrophobicContact CG1-CD2 3.59Å; I117-L155 HydrophobicContact CG1-CG 4.42Å; I117-T191 HydrophobicContact CD1-CG2 3.98Å; I117-Q194 HydrophobicContact CB-CG 4.32Å; I117-Q194 HydrophobicContact CD1-CB 4.18Å; I117-Q194 HydrophobicContact CD1-CG 4.06Å; I117-Q194 HydrophobicContact CG2-CG 4.06Å; I117-A195 HydrophobicContact CG2-CB 4.23Å; I117-C198 HydrophobicContact CG2-CB 4.06Å
118	F	94.9	Very high	94	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.009	14%	0.136	C	C	.	.	H	α-helix	trans	-58.9	-44.6	177.2	174.4	-91.3	0	0	0	112.4	A60 A61 R70 P73 D114 D115 N122	A60-F118 HydrophobicContact CB-CE1 4.38Å; A60-F118 HydrophobicContact CB-CZ 4.28Å; A60-F118 WeakPolarHBondContact O-CZ 3.37Å; A61-F118 HydrophobicContact CB-CB 4.23Å; A61-F118 HydrophobicContact CB-CD1 3.36Å; A61-F118 HydrophobicContact CB-CE1 3.74Å; A61-F118 HydrophobicContact CB-CG 3.79Å; A61-F118 HydrophobicContact CB-CZ 4.44Å; R70-F118 HydrophobicContact CB-CE2 4.32Å; R70-F118 WeakPolarHBondContact O-CE2 3.46Å; P73-F118 HydrophobicContact CG-CE1 4.29Å; P73-F118 HydrophobicContact CG-CZ 3.87Å; D114-F118 WeakPolarHBondContact O-CB 3.44Å; D114-F118 PolarHBondContact O-N 2.81Å; D114-F118 VanDerWaalsContact O-N 3.11Å; D115-F118 WeakPolarHBondContact O-CB 3.28Å; D115-F118 PolarHBondContact O-N 3.13Å; F118-N122 PolarHBondContact O-N 3.42Å; F118-N122 VanDerWaalsContact O-N 3.09Å; F118-N122 PolarHBondContact O-ND2 3.49Å
119	W	95.5	Very high	93.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-74.1	-31.5	178.5	-73.4	124.8	0	0	0	113.3	V55 A60 P73 F103 I106 D115 I117 N122 A123	V55-W119 WeakPolarHBondContact O-CH2 3.22Å; A60-W119 HydrophobicContact CB-CH2 4.4Å; P73-W119 HydrophobicContact CB-CH2 4.48Å; P73-W119 HydrophobicContact CB-CZ3 4.13Å; P73-W119 HydrophobicContact CG-CZ3 4.48Å; F103-W119 AromaticContact CE1-CE3 4Å; F103-W119 HydrophobicContact CE1-CE3 4Å; I106-W119 HydrophobicContact CD1-CD2 3.71Å; I106-W119 HydrophobicContact CD1-CE3 4.17Å; I106-W119 HydrophobicContact CD1-CG 3.9Å; I106-W119 HydrophobicContact CD1-CZ2 4.44Å; I106-W119 HydrophobicContact CG1-CG 4.49Å; I106-W119 HydrophobicContact CG2-CB 3.81Å; I106-W119 HydrophobicContact CG2-CG 3.75Å; D115-W119 WeakPolarHBondContact O-CB 3.37Å; D115-W119 PolarHBondContact O-N 3.08Å; I117-W119 PolarHBondContact O-N 2.75Å; W119-N122 HydrophobicContact CE3-CB 4.15Å; W119-N122 HydrophobicContact CZ3-CB 4.41Å; W119-N122 PolarHBondContact O-N 2.85Å; W119-A123 WeakPolarHBondContact O-CB 3.3Å; W119-A123 PolarHBondContact O-N 3.39Å
120	L	97.1	Very high	93.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.3	-43.3	172.1	-177.8	67	0	0	0	111.6	L116 I117 S124 I148 I151 F152 L155 L200	L116-L120 VanDerWaalsContact O-CB 3.23Å; L116-L120 WeakPolarHBondContact O-CB 3.42Å; L116-L120 PolarHBondContact O-N 3.15Å; I117-L120 PolarHBondContact O-N 3.37Å; L120-S124 WeakPolarHBondContact O-CB 3.4Å; L120-S124 PolarHBondContact O-N 2.89Å; L120-S124 VanDerWaalsContact O-N 3.09Å; L120-S124 PolarHBondContact O-OG 2.82Å; L120-I148 HydrophobicContact CD1-CG2 3.89Å; L120-I151 HydrophobicContact CB-CG2 3.9Å; L120-I151 HydrophobicContact CD1-CB 4.46Å; L120-I151 HydrophobicContact CD1-CG2 4.24Å; L120-F152 HydrophobicContact CD1-CB 4.05Å; L120-F152 HydrophobicContact CD2-CD2 3.91Å; L120-L155 HydrophobicContact CD2-CD2 4.23Å; L120-L200 HydrophobicContact CB-CD1 4.33Å; L120-L200 HydrophobicContact CD2-CD1 3.87Å; L120-L200 HydrophobicContact CD2-CD2 4.03Å; L120-L200 HydrophobicContact CG-CD1 3.81Å
121	A	95.9	Very high	93.8	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.008	10%	0.104	C	C	.	.	H	α-helix	trans	-61.7	-51.9	175.3	0	0	0	0	0	110.8	L71 I117 A123 S124 E125 C198 L200	L71-A121 HydrophobicContact CD2-CB 3.92Å; I117-A121 PolarHBondContact O-N 3.14Å; A121-A123 PolarHBondContact O-N 3.25Å; A121-S124 PolarHBondContact O-N 2.88Å; A121-S124 PolarHBondContact O-OG 2.92Å; A121-E125 WeakPolarHBondContact O-CB 3.4Å; A121-E125 PolarHBondContact O-N 3.01Å; A121-C198 HydrophobicContact CB-CB 4.23Å; A121-C198 WeakPolarHBondContact CB-O 3.47Å; A121-L200 HydrophobicContact CB-CB 4.17Å; A121-L200 HydrophobicContact CB-CD1 4.06Å
122	N	95.3	Very high	93.7	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-64.2	-39.5	179.7	-83.3	-86	0	0	0	113.7	R70 L71 P73 A74 F118 W119 F126	R70-N122 PolarHBondContact O-ND2 3.35Å; L71-N122 WeakPolarHBondContact CA-OD1 3.39Å; L71-N122 PolarHBondContact O-OD1 2.94Å; P73-N122 WeakPolarHBondContact CB-OD1 3.2Å; P73-N122 VanDerWaalsContact CD-OD1 3.3Å; P73-N122 WeakPolarHBondContact CD-OD1 3.32Å; A74-N122 HydrophobicContact CB-CB 4.24Å; A74-N122 VanDerWaalsContact CB-O 3.24Å; A74-N122 WeakPolarHBondContact CB-O 3.38Å; A74-N122 PolarHBondContact N-OD1 3.05Å; F118-N122 PolarHBondContact O-N 3.42Å; F118-N122 VanDerWaalsContact O-N 3.09Å; F118-N122 PolarHBondContact O-ND2 3.49Å; W119-N122 HydrophobicContact CE3-CB 4.15Å; W119-N122 HydrophobicContact CZ3-CB 4.41Å; W119-N122 PolarHBondContact O-N 2.85Å; N122-F126 WeakPolarHBondContact O-CB 3.44Å; N122-F126 PolarHBondContact O-N 3.22Å
123	A	96.3	Very high	93.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.3	-41.4	178.4	0	0	0	0	0	112.2	F103 W119 A121 N127 I148 I151	F103-A123 HydrophobicContact CD1-CB 3.77Å; F103-A123 HydrophobicContact CE1-CB 3.51Å; F103-A123 HydrophobicContact CE2-CB 4.42Å; F103-A123 HydrophobicContact CG-CB 4.36Å; F103-A123 HydrophobicContact CZ-CB 3.86Å; W119-A123 WeakPolarHBondContact O-CB 3.3Å; W119-A123 PolarHBondContact O-N 3.39Å; A121-A123 PolarHBondContact O-N 3.25Å; A123-N127 PolarHBondContact O-N 3.33Å; A123-I148 HydrophobicContact CB-CG1 3.81Å; A123-I151 HydrophobicContact CB-CD1 4.12Å
124	S	96.4	Very high	93.1	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.007	9%	0.093	C	C	.	.	H	α-helix	trans	-74.6	-40.7	-178.1	61.1	0	0	0	0	112.9	L120 A121 N127 H128 L204 Y360	L120-S124 WeakPolarHBondContact O-CB 3.4Å; L120-S124 PolarHBondContact O-N 2.89Å; L120-S124 VanDerWaalsContact O-N 3.09Å; L120-S124 PolarHBondContact O-OG 2.82Å; A121-S124 PolarHBondContact O-N 2.88Å; A121-S124 PolarHBondContact O-OG 2.92Å; S124-N127 PolarHBondContact O-N 2.93Å; S124-H128 PolarHBondContact O-N 2.74Å; S124-L204 WeakPolarHBondContact OG-CD1 3.34Å; S124-Y360 WeakPolarHBondContact O-CE1 3.15Å
125	E	94.6	Very high	92.7	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.019	10%	0.098	C	C	.	.	H	α-helix	trans	-61.9	-42.5	170.7	-176.3	81.3	-162.9	0	0	111	L71 A74 Y75 A121 N127 H128 L129 Y360 F361 V362	L71-E125 HydrophobicContact CD1-CG 4.17Å; L71-E125 HydrophobicContact CD2-CB 4.2Å; L71-E125 HydrophobicContact CD2-CG 4.47Å; A74-E125 HydrophobicContact CB-CB 4.13Å; A74-E125 HydrophobicContact CB-CG 4.19Å; Y75-E125 HydrophobicContact CD2-CG 4.35Å; Y75-E125 HydrophobicContact CE2-CG 3.64Å; Y75-E125 WeakPolarHBondContact CE2-OE1 3.41Å; Y75-E125 VanDerWaalsContact CZ-OE1 3.31Å; Y75-E125 PolarHBondContact OH-OE1 2.72Å; A121-E125 WeakPolarHBondContact O-CB 3.4Å; A121-E125 PolarHBondContact O-N 3.01Å; E125-N127 PolarHBondContact O-N 3.29Å; E125-H128 PolarHBondContact O-N 3.32Å; E125-L129 HydrophobicContact CG-CD1 4.32Å; E125-L129 WeakPolarHBondContact O-CG 3.48Å; E125-L129 PolarHBondContact O-N 3.23Å; E125-Y360 HydrophobicContact CB-CD1 4.35Å; E125-Y360 WeakPolarHBondContact OE2-CD1 3.41Å; E125-F361 PolarHBondContact OE1-N 3.16Å; E125-F361 PolarHBondContact OE2-N 2.78Å; E125-V362 PolarHBondContact OE1-N 2.82Å
126	F	94.7	Very high	92.4	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-61.3	-43.5	175.4	174.8	-102.7	0	0	0	112.6	A74 L77 L81 F96 I99 F103 N122 H128 L129 V130 I144	A74-F126 HydrophobicContact CB-CB 4.07Å; L77-F126 HydrophobicContact CB-CD2 3.85Å; L77-F126 HydrophobicContact CB-CE2 3.74Å; L81-F126 HydrophobicContact CD2-CE2 4.32Å; L81-F126 HydrophobicContact CD2-CZ 4Å; F96-F126 HydrophobicContact CD2-CE1 4.48Å; F96-F126 HydrophobicContact CD2-CZ 4.31Å; F96-F126 AromaticContact CE2-CE1 3.96Å; F96-F126 HydrophobicContact CE2-CE1 3.96Å; F96-F126 HydrophobicContact CE2-CZ 4.18Å; I99-F126 HydrophobicContact CD1-CE2 4.46Å; I99-F126 HydrophobicContact CD1-CZ 4.02Å; I99-F126 HydrophobicContact CG2-CD1 4.49Å; I99-F126 HydrophobicContact CG2-CE1 3.92Å; I99-F126 HydrophobicContact CG2-CZ 4.17Å; F103-F126 HydrophobicContact CE2-CD1 4.32Å; N122-F126 WeakPolarHBondContact O-CB 3.44Å; N122-F126 PolarHBondContact O-N 3.22Å; F126-H128 VanDerWaalsContact C-N 3.34Å; F126-H128 PolarHBondContact O-N 3.33Å; F126-L129 PolarHBondContact O-N 2.92Å; F126-V130 HydrophobicContact CD2-CG2 4.32Å; F126-V130 HydrophobicContact CE1-CG2 4.15Å; F126-V130 HydrophobicContact CE2-CG2 3.89Å; F126-V130 HydrophobicContact CZ-CG2 3.81Å; F126-V130 WeakPolarHBondContact O-CG2 3.21Å; F126-V130 PolarHBondContact O-N 2.68Å; F126-I144 HydrophobicContact CD1-CD1 3.99Å; F126-I144 HydrophobicContact CE1-CD1 3.78Å
127	N	93.8	Very high	91.8	Very high	14 Å²	14	24.1 Å²	24.1	8%	0.075	12%	0.116	C	C	.	.	H	α-helix	trans	-61.4	-43.8	174.6	-173.7	88.8	0	0	0	111.4	A123 S124 E125 V130 E131 I144 I148	A123-N127 PolarHBondContact O-N 3.33Å; S124-N127 PolarHBondContact O-N 2.93Å; E125-N127 PolarHBondContact O-N 3.29Å; N127-V130 PolarHBondContact O-N 2.95Å; N127-E131 PolarHBondContact ND2-OE1 2.71Å; N127-E131 VanDerWaalsContact O-CB 3.29Å; N127-E131 WeakPolarHBondContact O-CB 3.37Å; N127-E131 WeakPolarHBondContact O-CG 3.45Å; N127-E131 PolarHBondContact O-N 3.49Å; N127-I144 HydrophobicContact CB-CG2 3.74Å; N127-I148 HydrophobicContact CB-CD1 3.62Å
128	H	91.9	Very high	90.9	Very high	11 Å²	11	27.8 Å²	27.8	5%	0.051	15%	0.146	C	C	.	.	H	α-helix	trans	-61.2	-44.7	177.9	179.8	90.4	0	0	0	112.1	S124 E125 F126 E131 R132 Q357 Y360 E363	S124-H128 PolarHBondContact O-N 2.74Å; E125-H128 PolarHBondContact O-N 3.32Å; F126-H128 VanDerWaalsContact C-N 3.34Å; F126-H128 PolarHBondContact O-N 3.33Å; H128-E131 PolarHBondContact O-N 2.92Å; H128-R132 VanDerWaalsContact CE1-CD 3.44Å; H128-R132 WeakPolarHBondContact CE1-CD 3.27Å; H128-R132 WeakPolarHBondContact NE2-CD 3.47Å; H128-R132 WeakPolarHBondContact O-CB 3.41Å; H128-R132 WeakPolarHBondContact O-CG 3.25Å; H128-R132 PolarHBondContact O-N 2.83Å; H128-Q357 PolarHBondContact CE1-O 2.75Å; H128-Q357 VanDerWaalsContact CE1-O 3.27Å; H128-Q357 PolarHBondContact ND1-O 3.23Å; H128-Y360 HydrophobicContact CB-CD1 4.01Å; H128-Y360 HydrophobicContact CB-CD2 3.85Å; H128-Y360 HydrophobicContact CB-CE1 4.15Å; H128-Y360 HydrophobicContact CB-CE2 3.94Å; H128-Y360 HydrophobicContact CB-CG 3.84Å; H128-Y360 AromaticContact CD2-CD2 3.96Å; H128-Y360 AromaticContact CD2-CG 3.8Å; H128-Y360 AromaticContact CE1-CD2 3.48Å; H128-Y360 VanDerWaalsContact CE1-CD2 3.48Å; H128-Y360 WeakPolarHBondContact CE1-CD2 3.27Å; H128-Y360 AromaticContact CG-CD2 3.39Å; H128-Y360 AromaticContact CG-CE2 3.89Å; H128-Y360 AromaticContact CG-CG 3.54Å; H128-Y360 AromaticContact ND1-CD2 3.07Å; H128-Y360 WeakPolarHBondContact ND1-CD2 3.41Å; H128-Y360 AromaticContact ND1-CE2 3.52Å; H128-Y360 AromaticContact ND1-CG 3.72Å; H128-E363 IonicContact CE1-OE1 3.82Å; H128-E363 PolarHBondContact CE1-OE1 3.47Å; H128-E363 IonicContact NE2-OE1 3.68Å; H128-E363 PolarHBondContact NE2-OE1 3.07Å
129	L	91.5	Very high	90	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.7	-49	174.2	-71.3	167.2	0	0	0	111.9	L35 Y75 Y78 E125 F126 E131 R132 D133 V362	L35-L129 HydrophobicContact CD2-CD2 4Å; Y75-L129 HydrophobicContact CD2-CD1 4.2Å; Y75-L129 HydrophobicContact CE2-CD1 4.27Å; Y75-L129 HydrophobicContact CG-CD1 4.32Å; Y78-L129 HydrophobicContact CD1-CD1 4.42Å; Y78-L129 HydrophobicContact CD1-CD2 4.42Å; Y78-L129 HydrophobicContact CD2-CB 3.73Å; Y78-L129 HydrophobicContact CE2-CB 4.18Å; Y78-L129 HydrophobicContact CG-CB 3.93Å; Y78-L129 HydrophobicContact CG-CD1 4.12Å; Y78-L129 HydrophobicContact CG-CG 4.45Å; E125-L129 HydrophobicContact CG-CD1 4.32Å; E125-L129 WeakPolarHBondContact O-CG 3.48Å; E125-L129 PolarHBondContact O-N 3.23Å; F126-L129 PolarHBondContact O-N 2.92Å; L129-E131 PolarHBondContact O-N 2.82Å; L129-R132 PolarHBondContact O-N 2.84Å; L129-D133 PolarHBondContact O-N 3.22Å; L129-V362 HydrophobicContact CD2-CB 3.9Å; L129-V362 HydrophobicContact CD2-CG1 4Å; L129-V362 HydrophobicContact CD2-CG2 3.73Å
130	V	90.9	Very high	88.8	Confident	13 Å²	13	40.8 Å²	40.8	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-67.7	-33.3	178.9	173.2	0	0	0	0	112.4	Y78 L81 F96 F126 N127 L136	Y78-V130 HydrophobicContact CD2-CG2 4.5Å; L81-V130 HydrophobicContact CD2-CG2 3.81Å; F96-V130 HydrophobicContact CE2-CG1 4.28Å; F126-V130 HydrophobicContact CD2-CG2 4.32Å; F126-V130 HydrophobicContact CE1-CG2 4.15Å; F126-V130 HydrophobicContact CE2-CG2 3.89Å; F126-V130 HydrophobicContact CZ-CG2 3.81Å; F126-V130 WeakPolarHBondContact O-CG2 3.21Å; F126-V130 PolarHBondContact O-N 2.68Å; N127-V130 PolarHBondContact O-N 2.95Å; V130-L136 HydrophobicContact CG1-CB 4.24Å; V130-L136 HydrophobicContact CG2-CD1 4.31Å
131	E	88.8	Confident	87.8	Confident	92 Å²	92	42.2 Å²	42.2	43%	0.43	21%	0.207	S	C	.	.	H	α-helix	trans	-77.7	-18.8	175.4	-80.3	-150	-129.3	0	0	113.9	N127 H128 L129 K137	N127-E131 PolarHBondContact ND2-OE1 2.71Å; N127-E131 VanDerWaalsContact O-CB 3.29Å; N127-E131 WeakPolarHBondContact O-CB 3.37Å; N127-E131 WeakPolarHBondContact O-CG 3.45Å; N127-E131 PolarHBondContact O-N 3.49Å; H128-E131 PolarHBondContact O-N 2.92Å; L129-E131 PolarHBondContact O-N 2.82Å; E131-K137 VanDerWaalsContact O-CD 3.3Å; E131-K137 WeakPolarHBondContact O-CD 3.36Å; E131-K137 PolarHBondContact O-NZ 2.87Å; E131-K137 IonicContact OE2-NZ 3.73Å; E131-K137 PolarHBondContact OE2-NZ 3.39Å; E131-K137 VanDerWaalsContact OE2-NZ 3.11Å
132	R	86.9	Confident	86.6	Confident	74 Å²	74	43.9 Å²	43.9	28%	0.279	23%	0.225	S	C	.	.	H	α-helix	trans	-92.6	-28.9	174.8	-74.5	-170.1	65.5	128.1	-2.2	113.7	L35 H128 L129 T134 E363	L35-R132 HydrophobicContact CB-CB 4.23Å; L35-R132 HydrophobicContact CD2-CB 3.78Å; H128-R132 VanDerWaalsContact CE1-CD 3.44Å; H128-R132 WeakPolarHBondContact CE1-CD 3.27Å; H128-R132 WeakPolarHBondContact NE2-CD 3.47Å; H128-R132 WeakPolarHBondContact O-CB 3.41Å; H128-R132 WeakPolarHBondContact O-CG 3.25Å; H128-R132 PolarHBondContact O-N 2.83Å; L129-R132 PolarHBondContact O-N 2.84Å; R132-T134 PolarHBondContact O-N 2.89Å; R132-E363 IonicContact CZ-OE1 2.6Å; R132-E363 IonicContact NH1-OE1 3.12Å; R132-E363 PolarHBondContact NH1-OE1 3.06Å
133	D	88.8	Confident	85.8	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.027	26%	0.258	C	S	.	.			trans	-69.4	122	172.6	-175.9	-70.7	0	0	0	111.2	Y78 R82 L129 E135 L136 K137	Y78-D133 HydrophobicContact CE2-CB 4.02Å; Y78-D133 PolarHBondContact OH-OD2 3.09Å; R82-D133 IonicContact CZ-OD1 2.67Å; R82-D133 IonicContact CZ-OD2 2.81Å; R82-D133 VanDerWaalsContact CZ-OD2 3.27Å; R82-D133 IonicContact NE-OD1 3.22Å; R82-D133 IonicContact NE-OD2 3.18Å; R82-D133 PolarHBondContact NE-OD2 3.3Å; R82-D133 IonicContact NH2-OD1 3.51Å; R82-D133 IonicContact NH2-OD2 2.6Å; R82-D133 PolarHBondContact NH2-OD2 2.84Å; L129-D133 PolarHBondContact O-N 3.22Å; D133-E135 PolarHBondContact O-N 2.83Å; D133-E135 WeakPolarHBondContact OD1-CA 3.39Å; D133-E135 WeakPolarHBondContact OD1-CB 3.43Å; D133-E135 PolarHBondContact OD1-N 3.18Å; D133-L136 HydrophobicContact CB-CB 4.12Å; D133-L136 HydrophobicContact CB-CD1 4.09Å; D133-L136 HydrophobicContact CB-CG 4.06Å; D133-L136 PolarHBondContact OD1-N 2.77Å; D133-K137 WeakPolarHBondContact O-CB 3.3Å; D133-K137 PolarHBondContact O-N 2.84Å
134	T	85	Confident	85.5	Confident	92 Å²	92	51.7 Å²	51.7	56%	0.564	26%	0.259	S	S	*	.	H	α-helix	trans	-68.8	-28.5	-174.3	46.4	0	0	0	0	114.3	R132 A138	R132-T134 PolarHBondContact O-N 2.89Å; T134-A138 WeakPolarHBondContact O-CB 3.15Å; T134-A138 PolarHBondContact O-N 2.79Å
135	E	85	Confident	85.3	Confident	79 Å²	79	53.2 Å²	53.2	37%	0.369	27%	0.269	S	S	.	.	H	α-helix	trans	-82.6	-43.2	178.6	-71.9	173.2	-119.4	0	0	111.1	R82 H85 D133 A138 S139	R82-E135 IonicContact CZ-OE1 2.67Å; R82-E135 IonicContact CZ-OE2 2.65Å; R82-E135 IonicContact NH1-OE1 3.31Å; R82-E135 PolarHBondContact NH1-OE1 3.04Å; R82-E135 VanDerWaalsContact NH1-OE1 3.13Å; R82-E135 IonicContact NH1-OE2 3.44Å; R82-E135 PolarHBondContact NH1-OE2 2.99Å; R82-E135 IonicContact NH2-OE1 3.31Å; R82-E135 PolarHBondContact NH2-OE1 3.05Å; R82-E135 IonicContact NH2-OE2 2.68Å; H85-E135 IonicContact CD2-OE2 3.52Å; D133-E135 PolarHBondContact O-N 2.83Å; D133-E135 WeakPolarHBondContact OD1-CA 3.39Å; D133-E135 WeakPolarHBondContact OD1-CB 3.43Å; D133-E135 PolarHBondContact OD1-N 3.18Å; E135-A138 PolarHBondContact O-N 2.88Å; E135-S139 PolarHBondContact O-N 3.22Å; E135-S139 PolarHBondContact O-OG 3.15Å
136	L	86.6	Confident	85.2	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-64.6	-44	175.9	-58.6	-176.3	0	0	0	110.7	Y78 L81 H85 V130 D133 A138 S139 Y141	Y78-L136 HydrophobicContact CD2-CD1 3.93Å; Y78-L136 HydrophobicContact CE2-CD1 3.67Å; L81-L136 HydrophobicContact CD2-CD1 4.04Å; L81-L136 HydrophobicContact CG-CD1 4.29Å; L81-L136 HydrophobicContact CG-CD2 4.19Å; H85-L136 HydrophobicContact CB-CD2 3.53Å; V130-L136 HydrophobicContact CG1-CB 4.24Å; V130-L136 HydrophobicContact CG2-CD1 4.31Å; D133-L136 HydrophobicContact CB-CB 4.12Å; D133-L136 HydrophobicContact CB-CD1 4.09Å; D133-L136 HydrophobicContact CB-CG 4.06Å; D133-L136 PolarHBondContact OD1-N 2.77Å; L136-A138 VanDerWaalsContact C-N 3.31Å; L136-A138 PolarHBondContact O-N 2.85Å; L136-S139 VanDerWaalsContact O-CB 3.31Å; L136-S139 WeakPolarHBondContact O-CB 3.35Å; L136-S139 PolarHBondContact O-N 3.2Å; L136-S139 VanDerWaalsContact O-N 3.07Å; L136-Y141 HydrophobicContact CB-CD2 4.49Å; L136-Y141 HydrophobicContact CB-CE2 4.03Å; L136-Y141 HydrophobicContact CD2-CE2 3.89Å; L136-Y141 WeakPolarHBondContact O-CD2 3.48Å; L136-Y141 WeakPolarHBondContact O-CE2 3.39Å
137	K	83.1	Confident	85.2	Confident	116 Å²	116	57 Å²	57	50%	0.504	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-38.7	175.2	-166	177.2	-151.6	125.6	0	112.8	E131 D133 S139	E131-K137 VanDerWaalsContact O-CD 3.3Å; E131-K137 WeakPolarHBondContact O-CD 3.36Å; E131-K137 PolarHBondContact O-NZ 2.87Å; E131-K137 IonicContact OE2-NZ 3.73Å; E131-K137 PolarHBondContact OE2-NZ 3.39Å; E131-K137 VanDerWaalsContact OE2-NZ 3.11Å; D133-K137 WeakPolarHBondContact O-CB 3.3Å; D133-K137 PolarHBondContact O-N 2.84Å; K137-S139 PolarHBondContact O-N 3.27Å
138	A	75.9	Confident	85.3	Confident	77 Å²	77	56.4 Å²	56.4	64%	0.636	29%	0.289	S	S	*	.	H	α-helix	trans	-67.5	-20.6	177.3	0	0	0	0	0	113.6	T134 E135 L136 R140	T134-A138 WeakPolarHBondContact O-CB 3.15Å; T134-A138 PolarHBondContact O-N 2.79Å; E135-A138 PolarHBondContact O-N 2.88Å; L136-A138 VanDerWaalsContact C-N 3.31Å; L136-A138 PolarHBondContact O-N 2.85Å; A138-R140 VanDerWaalsContact C-N 3.31Å; A138-R140 PolarHBondContact O-N 2.78Å
139	S	75.5	Confident	85.5	Confident	41 Å²	41	58.5 Å²	58.5	29%	0.287	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-8	-171.3	-60.7	0	0	0	0	115	H85 E135 L136 K137 Y141	H85-S139 PolarHBondContact CE1-OG 3.04Å; H85-S139 PolarHBondContact ND1-OG 3.05Å; E135-S139 PolarHBondContact O-N 3.22Å; E135-S139 PolarHBondContact O-OG 3.15Å; L136-S139 VanDerWaalsContact O-CB 3.31Å; L136-S139 WeakPolarHBondContact O-CB 3.35Å; L136-S139 PolarHBondContact O-N 3.2Å; L136-S139 VanDerWaalsContact O-N 3.07Å; K137-S139 PolarHBondContact O-N 3.27Å; S139-Y141 VanDerWaalsContact CB-CE2 3.48Å; S139-Y141 PolarHBondContact O-N 3.12Å
140	R	70.9	Confident	85.7	Confident	233 Å²	233	62.8 Å²	62.8	88%	0.879	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	47.1	-179.2	-55.8	-166.7	-64.3	-157.6	-0.3	113.7	A138	A138-R140 VanDerWaalsContact C-N 3.31Å; A138-R140 PolarHBondContact O-N 2.78Å
141	Y	77.3	Confident	86	Confident	30 Å²	30	62.2 Å²	62.2	12%	0.118	31%	0.311	C	S	.	.			trans	-58.9	166.6	163.3	-61.4	-66	0	0	0	111.7	L81 H85 S92 V93 F96 L136 S139	L81-Y141 HydrophobicContact CD1-CE1 4.27Å; H85-Y141 PolarHBondContact ND1-OH 3.18Å; S92-Y141 WeakPolarHBondContact CB-OH 3.49Å; S92-Y141 PolarHBondContact OG-OH 2.95Å; V93-Y141 HydrophobicContact CB-CE1 4.49Å; V93-Y141 HydrophobicContact CG2-CD1 4.38Å; V93-Y141 HydrophobicContact CG2-CE1 3.92Å; F96-Y141 HydrophobicContact CB-CD1 3.77Å; F96-Y141 HydrophobicContact CB-CE1 4.23Å; F96-Y141 HydrophobicContact CB-CG 4.41Å; F96-Y141 HydrophobicContact CD1-CD1 4.44Å; F96-Y141 HydrophobicContact CD1-CG 4.49Å; F96-Y141 HydrophobicContact CD2-CD1 4.12Å; F96-Y141 HydrophobicContact CD2-CD2 4.42Å; F96-Y141 AromaticContact CD2-CG 3.89Å; F96-Y141 HydrophobicContact CD2-CG 3.89Å; F96-Y141 HydrophobicContact CE2-CG 4.32Å; F96-Y141 AromaticContact CG-CD1 3.84Å; F96-Y141 HydrophobicContact CG-CD1 3.84Å; F96-Y141 AromaticContact CG-CG 3.99Å; F96-Y141 HydrophobicContact CG-CG 3.99Å; L136-Y141 HydrophobicContact CB-CD2 4.49Å; L136-Y141 HydrophobicContact CB-CE2 4.03Å; L136-Y141 HydrophobicContact CD2-CE2 3.89Å; L136-Y141 WeakPolarHBondContact O-CD2 3.48Å; L136-Y141 WeakPolarHBondContact O-CE2 3.39Å; S139-Y141 VanDerWaalsContact CB-CE2 3.48Å; S139-Y141 PolarHBondContact O-N 3.12Å
142	G	70.5	Confident	86.4	Confident	37 Å²	37	58 Å²	58	38%	0.381	29%	0.291	S	S	.	.			trans	-60.6	161.8	174.3	0	0	0	0	0	112.8	F96	F96-G142 VanDerWaalsContact CE1-O 3.3Å; F96-G142 WeakPolarHBondContact CE1-O 3.42Å; F96-G142 WeakPolarHBondContact CZ-O 3.44Å
143	K	78.6	Confident	86.8	Confident	163 Å²	163	62 Å²	62	71%	0.709	31%	0.306	S	S	*	.			trans	-97.7	95.4	178.6	-75.7	-163.1	176.1	-167.8	0	110.9	S145 V146	K143-S145 PolarHBondContact O-N 3.22Å; K143-V146 PolarHBondContact O-N 3.12Å
144	I	89.5	Confident	87.1	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-11.8	177.9	-126.1	164.1	0	0	0	113.2	F96 I99 E100 F103 F126 N127 V146 E147 I148	F96-I144 HydrophobicContact CZ-CB 4.46Å; F96-I144 HydrophobicContact CZ-CD1 4.33Å; I99-I144 HydrophobicContact CG2-CD1 3.99Å; E100-I144 HydrophobicContact CB-CD1 4.38Å; E100-I144 HydrophobicContact CB-CG1 4.31Å; E100-I144 HydrophobicContact CG-CG1 4.38Å; F103-I144 HydrophobicContact CD2-CD1 3.54Å; F103-I144 HydrophobicContact CD2-CG1 4.22Å; F103-I144 HydrophobicContact CE2-CD1 3.9Å; F126-I144 HydrophobicContact CD1-CD1 3.99Å; F126-I144 HydrophobicContact CE1-CD1 3.78Å; N127-I144 HydrophobicContact CB-CG2 3.74Å; I144-V146 PolarHBondContact O-N 3.47Å; I144-V146 VanDerWaalsContact O-N 3.12Å; I144-E147 PolarHBondContact O-N 3Å; I144-I148 HydrophobicContact CG2-CD1 3.73Å; I144-I148 HydrophobicContact CG2-CG1 4.1Å; I144-I148 PolarHBondContact O-N 3.31Å
145	S	90.9	Very high	87.7	Confident	33 Å²	33	61.3 Å²	61.3	23%	0.231	29%	0.293	C	S	.	.	H	α-helix	trans	-47.2	-36.9	171.3	62.6	0	0	0	0	114.3	K143 E149	K143-S145 PolarHBondContact O-N 3.22Å; S145-E149 PolarHBondContact O-N 3.06Å
146	V	92.5	Very high	88.2	Confident	72 Å²	72	58.4 Å²	58.4	44%	0.436	28%	0.281	S	S	.	.	H	α-helix	trans	-69.4	-35.7	179	-179.1	0	0	0	0	111.4	K143 I144 R150	K143-V146 PolarHBondContact O-N 3.12Å; I144-V146 PolarHBondContact O-N 3.47Å; I144-V146 VanDerWaalsContact O-N 3.12Å; V146-R150 WeakPolarHBondContact O-CB 3.47Å; V146-R150 PolarHBondContact O-N 3Å
147	E	94.9	Very high	88.5	Confident	14 Å²	14	60.8 Å²	60.8	7%	0.065	30%	0.301	C	S	.	.	H	α-helix	trans	-80.3	-32.8	178	-54	-51.9	146.7	0	0	111.5	E100 F103 K104 I144 E149 R150 I151	E100-E147 HydrophobicContact CG-CG 4.4Å; F103-E147 HydrophobicContact CB-CB 4.17Å; K104-E147 WeakPolarHBondContact CA-OE2 3.35Å; K104-E147 HydrophobicContact CB-CG 4.2Å; K104-E147 WeakPolarHBondContact CB-OE2 3.42Å; K104-E147 WeakPolarHBondContact CG-OE2 3.44Å; I144-E147 PolarHBondContact O-N 3Å; E147-E149 VanDerWaalsContact C-N 3.35Å; E147-E149 PolarHBondContact O-N 3.49Å; E147-R150 PolarHBondContact O-N 3.28Å; E147-R150 IonicContact OE1-CZ 3.86Å; E147-R150 IonicContact OE1-NH1 3.61Å; E147-R150 PolarHBondContact OE1-NH1 3.43Å; E147-R150 IonicContact OE2-CZ 3.54Å; E147-R150 IonicContact OE2-NE 3.79Å; E147-R150 IonicContact OE2-NH1 2.87Å; E147-R150 PolarHBondContact OE2-NH1 3.07Å; E147-I151 VanDerWaalsContact O-CG1 3.28Å; E147-I151 WeakPolarHBondContact O-CG1 3.43Å; E147-I151 PolarHBondContact O-N 3.3Å
148	I	96.5	Very high	89.1	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-57.4	-48.5	168.1	-65.1	166	0	0	0	110.3	L120 A123 N127 I144 R150 I151 F152 F353 I355	L120-I148 HydrophobicContact CD1-CG2 3.89Å; A123-I148 HydrophobicContact CB-CG1 3.81Å; N127-I148 HydrophobicContact CB-CD1 3.62Å; I144-I148 HydrophobicContact CG2-CD1 3.73Å; I144-I148 HydrophobicContact CG2-CG1 4.1Å; I144-I148 PolarHBondContact O-N 3.31Å; I148-R150 VanDerWaalsContact C-N 3.3Å; I148-R150 PolarHBondContact O-N 3.48Å; I148-I151 PolarHBondContact O-N 3.45Å; I148-F152 PolarHBondContact O-N 2.9Å; I148-F353 HydrophobicContact CG2-CE1 3.96Å; I148-F353 HydrophobicContact CG2-CZ 3.84Å; I148-I355 HydrophobicContact CB-CD1 4.46Å; I148-I355 HydrophobicContact CD1-CD1 4.12Å; I148-I355 HydrophobicContact CG2-CD1 4.47Å
149	E	95.9	Very high	90	Very high	55 Å²	55	53 Å²	53	26%	0.257	25%	0.254	S	S	.	.	H	α-helix	trans	-61.4	-39.2	175.7	-173.3	-179.6	159.6	0	0	111.6	S145 E147 F152 R153 F353	S145-E149 PolarHBondContact O-N 3.06Å; E147-E149 VanDerWaalsContact C-N 3.35Å; E147-E149 PolarHBondContact O-N 3.49Å; E149-F152 PolarHBondContact O-N 3.26Å; E149-R153 HydrophobicContact CG-CG 4.43Å; E149-R153 WeakPolarHBondContact O-CB 3.41Å; E149-R153 WeakPolarHBondContact O-CG 3.44Å; E149-R153 PolarHBondContact O-N 2.7Å; E149-R153 IonicContact OE1-CZ 3.13Å; E149-R153 IonicContact OE1-NE 3.22Å; E149-R153 PolarHBondContact OE1-NE 2.87Å; E149-R153 IonicContact OE1-NH2 3.36Å; E149-R153 PolarHBondContact OE1-NH2 2.99Å; E149-F353 HydrophobicContact CB-CD1 3.54Å; E149-F353 HydrophobicContact CB-CE1 3.85Å; E149-F353 HydrophobicContact CB-CG 4.23Å; E149-F353 HydrophobicContact CG-CB 3.88Å; E149-F353 HydrophobicContact CG-CD1 3.62Å; E149-F353 HydrophobicContact CG-CE1 4.35Å; E149-F353 HydrophobicContact CG-CG 3.82Å
150	R	95.9	Very high	90.8	Very high	90 Å²	90	53.6 Å²	53.6	34%	0.34	25%	0.253	S	S	.	.	H	α-helix	trans	-66.9	-39.4	178	-162.9	173.7	-74.3	135.4	6.2	112.4	A107 V146 E147 I148 R154	A107-R150 HydrophobicContact CB-CB 3.98Å; A107-R150 HydrophobicContact CB-CG 3.76Å; V146-R150 WeakPolarHBondContact O-CB 3.47Å; V146-R150 PolarHBondContact O-N 3Å; E147-R150 PolarHBondContact O-N 3.28Å; E147-R150 IonicContact OE1-CZ 3.86Å; E147-R150 IonicContact OE1-NH1 3.61Å; E147-R150 PolarHBondContact OE1-NH1 3.43Å; E147-R150 IonicContact OE2-CZ 3.54Å; E147-R150 IonicContact OE2-NE 3.79Å; E147-R150 IonicContact OE2-NH1 2.87Å; E147-R150 PolarHBondContact OE2-NH1 3.07Å; I148-R150 VanDerWaalsContact C-N 3.3Å; I148-R150 PolarHBondContact O-N 3.48Å; R150-R154 VanDerWaalsContact O-CB 3.3Å; R150-R154 WeakPolarHBondContact O-CB 3.47Å; R150-R154 PolarHBondContact O-N 3.49Å
151	I	97.3	Very high	91.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-45.3	172	-65.4	167.6	0	0	0	110	F103 A107 L116 L120 A123 E147 I148 R154 L155	F103-I151 HydrophobicContact CB-CD1 4.28Å; F103-I151 HydrophobicContact CD1-CD1 3.89Å; F103-I151 HydrophobicContact CG-CD1 4.49Å; A107-I151 HydrophobicContact CB-CG1 3.7Å; L116-I151 HydrophobicContact CD2-CG2 4.11Å; L120-I151 HydrophobicContact CB-CG2 3.9Å; L120-I151 HydrophobicContact CD1-CB 4.46Å; L120-I151 HydrophobicContact CD1-CG2 4.24Å; A123-I151 HydrophobicContact CB-CD1 4.12Å; E147-I151 VanDerWaalsContact O-CG1 3.28Å; E147-I151 WeakPolarHBondContact O-CG1 3.43Å; E147-I151 PolarHBondContact O-N 3.3Å; I148-I151 PolarHBondContact O-N 3.45Å; I151-R154 PolarHBondContact O-N 3.5Å; I151-L155 WeakPolarHBondContact O-CB 3.4Å; I151-L155 PolarHBondContact O-N 3.26Å
152	F	97.2	Very high	92.6	Very high	5 Å²	5	48.4 Å²	48.4	2%	0.022	25%	0.253	C	S	.	.	H	α-helix	trans	-61	-49.4	177.7	-178	-89.4	0	0	0	112.1	L120 I148 E149 R154 L155 V156 Q207 L208 H211 F353	L120-F152 HydrophobicContact CD1-CB 4.05Å; L120-F152 HydrophobicContact CD2-CD2 3.91Å; I148-F152 PolarHBondContact O-N 2.9Å; E149-F152 PolarHBondContact O-N 3.26Å; F152-R154 VanDerWaalsContact C-N 3.3Å; F152-R154 PolarHBondContact O-N 2.97Å; F152-L155 WeakPolarHBondContact O-CB 3.41Å; F152-L155 PolarHBondContact O-N 3.46Å; F152-V156 HydrophobicContact CD1-CG2 4.18Å; F152-V156 HydrophobicContact CE1-CG2 3.74Å; F152-V156 HydrophobicContact CZ-CG2 4.04Å; F152-V156 WeakPolarHBondContact O-CG2 3.25Å; F152-V156 PolarHBondContact O-N 3.48Å; F152-Q207 HydrophobicContact CE2-CB 4.21Å; F152-Q207 HydrophobicContact CZ-CB 4.06Å; F152-L208 HydrophobicContact CE2-CB 4.07Å; F152-L208 HydrophobicContact CE2-CD1 4.38Å; F152-H211 AromaticContact CE1-CE1 3.58Å; F152-H211 AromaticContact CE1-ND1 3.84Å; F152-H211 AromaticContact CE1-NE2 3.8Å; F152-H211 AromaticContact CZ-CE1 3.77Å; F152-H211 AromaticContact CZ-ND1 3.63Å; F152-F353 HydrophobicContact CB-CD2 4.36Å; F152-F353 HydrophobicContact CB-CE2 3.79Å; F152-F353 HydrophobicContact CB-CZ 4.17Å; F152-F353 AromaticContact CD1-CD2 3.81Å; F152-F353 HydrophobicContact CD1-CD2 3.81Å; F152-F353 AromaticContact CD1-CE2 3.91Å; F152-F353 HydrophobicContact CD1-CE2 3.91Å; F152-F353 HydrophobicContact CD2-CD2 4.44Å; F152-F353 AromaticContact CD2-CE2 3.78Å; F152-F353 HydrophobicContact CD2-CE2 3.78Å; F152-F353 HydrophobicContact CE1-CD2 4.22Å; F152-F353 HydrophobicContact CE1-CE2 4.48Å; F152-F353 HydrophobicContact CE2-CE2 4.35Å; F152-F353 AromaticContact CG-CD2 3.94Å; F152-F353 HydrophobicContact CG-CD2 3.94Å; F152-F353 AromaticContact CG-CE2 3.53Å; F152-F353 HydrophobicContact CG-CE2 3.53Å; F152-F353 HydrophobicContact CG-CZ 4.38Å
153	R	94.8	Very high	93.7	Very high	157 Å²	157	46.7 Å²	46.7	59%	0.592	24%	0.236	S	C	*	.	H	α-helix	trans	-59.2	-40.1	175.7	-72.4	174.4	179.5	-104.4	6.8	111.9	E149 V156 A157	E149-R153 HydrophobicContact CG-CG 4.43Å; E149-R153 WeakPolarHBondContact O-CB 3.41Å; E149-R153 WeakPolarHBondContact O-CG 3.44Å; E149-R153 PolarHBondContact O-N 2.7Å; E149-R153 IonicContact OE1-CZ 3.13Å; E149-R153 IonicContact OE1-NE 3.22Å; E149-R153 PolarHBondContact OE1-NE 2.87Å; E149-R153 IonicContact OE1-NH2 3.36Å; E149-R153 PolarHBondContact OE1-NH2 2.99Å; R153-V156 PolarHBondContact O-N 3.25Å; R153-A157 WeakPolarHBondContact O-CB 3.47Å; R153-A157 PolarHBondContact O-N 3.04Å
154	R	95.9	Very high	94.3	Very high	82 Å²	82	42.9 Å²	42.9	31%	0.309	22%	0.217	S	C	.	.	H	α-helix	trans	-64	-42.7	175.4	179.3	60.3	170.7	-143.1	-15.4	112	A107 Q108 C110 L116 R150 I151 F152 A157 V158	A107-R154 WeakPolarHBondContact O-CG 3.27Å; Q108-R154 PolarHBondContact O-NH1 3.06Å; Q108-R154 PolarHBondContact O-NH2 3.25Å; C110-R154 VanDerWaalsContact O-CZ 3.26Å; C110-R154 PolarHBondContact O-NE 2.88Å; C110-R154 PolarHBondContact O-NH2 3.36Å; L116-R154 HydrophobicContact CD1-CG 3.87Å; L116-R154 HydrophobicContact CD2-CB 4.32Å; L116-R154 HydrophobicContact CD2-CG 3.85Å; R150-R154 VanDerWaalsContact O-CB 3.3Å; R150-R154 WeakPolarHBondContact O-CB 3.47Å; R150-R154 PolarHBondContact O-N 3.49Å; I151-R154 PolarHBondContact O-N 3.5Å; F152-R154 VanDerWaalsContact C-N 3.3Å; F152-R154 PolarHBondContact O-N 2.97Å; R154-A157 PolarHBondContact O-N 3.01Å; R154-V158 WeakPolarHBondContact O-CG2 3.25Å; R154-V158 PolarHBondContact O-N 3.36Å
155	L	96.8	Very high	94.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-45.6	175.3	176.7	59.6	0	0	0	111.8	K113 L116 I117 L120 I151 F152 V158 L159 L208	K113-L155 HydrophobicContact CB-CD1 3.99Å; K113-L155 WeakPolarHBondContact O-CD1 3.44Å; L116-L155 HydrophobicContact CB-CB 4.15Å; L116-L155 HydrophobicContact CB-CD1 3.93Å; I117-L155 HydrophobicContact CD1-CD1 4.37Å; I117-L155 HydrophobicContact CG1-CD1 3.91Å; I117-L155 HydrophobicContact CG1-CD2 3.59Å; I117-L155 HydrophobicContact CG1-CG 4.42Å; L120-L155 HydrophobicContact CD2-CD2 4.23Å; I151-L155 WeakPolarHBondContact O-CB 3.4Å; I151-L155 PolarHBondContact O-N 3.26Å; F152-L155 WeakPolarHBondContact O-CB 3.41Å; F152-L155 PolarHBondContact O-N 3.46Å; L155-V158 PolarHBondContact O-N 3.29Å; L155-L159 HydrophobicContact CD1-CD1 3.7Å; L155-L159 HydrophobicContact CD1-CG 4.16Å; L155-L159 HydrophobicContact CG-CD1 3.84Å; L155-L159 WeakPolarHBondContact O-CG 3.4Å; L155-L159 PolarHBondContact O-N 2.83Å; L155-L208 HydrophobicContact CD2-CD1 3.84Å; L155-L208 HydrophobicContact CD2-CD2 3.83Å; L155-L208 HydrophobicContact CG-CD1 4.04Å
156	V	95	Very high	94.6	Very high	19 Å²	19	44.6 Å²	44.6	12%	0.115	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-46.5	175.6	172.9	0	0	0	0	110.9	F152 R153 V158 L159 Q160 L208 H211 M215	F152-V156 HydrophobicContact CD1-CG2 4.18Å; F152-V156 HydrophobicContact CE1-CG2 3.74Å; F152-V156 HydrophobicContact CZ-CG2 4.04Å; F152-V156 WeakPolarHBondContact O-CG2 3.25Å; F152-V156 PolarHBondContact O-N 3.48Å; R153-V156 PolarHBondContact O-N 3.25Å; V156-V158 PolarHBondContact O-N 2.87Å; V156-L159 PolarHBondContact O-N 2.82Å; V156-Q160 WeakPolarHBondContact O-CB 3.48Å; V156-Q160 PolarHBondContact O-N 3.36Å; V156-L208 HydrophobicContact CG2-CD1 4.27Å; V156-H211 HydrophobicContact CG1-CB 4.21Å; V156-H211 HydrophobicContact CG2-CB 3.98Å; V156-M215 HydrophobicContact CG1-CE 4.03Å; V156-M215 HydrophobicContact CG1-SD 4.15Å
157	A	93.8	Very high	94.7	Very high	51 Å²	51	41.2 Å²	41.2	42%	0.421	21%	0.207	S	C	.	.	H	α-helix	trans	-63.3	-38	178.3	0	0	0	0	0	113.4	R153 R154	R153-A157 WeakPolarHBondContact O-CB 3.47Å; R153-A157 PolarHBondContact O-N 3.04Å; R154-A157 PolarHBondContact O-N 3.01Å
158	V	95.1	Very high	94.6	Very high	27 Å²	27	47.6 Å²	47.6	16%	0.164	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-49.1	172.6	166.5	0	0	0	0	110.3	S111 K113 L116 R154 L155 V156 Q160 S161	S111-V158 WeakPolarHBondContact O-CG1 3.2Å; K113-V158 HydrophobicContact CB-CG1 4.12Å; L116-V158 HydrophobicContact CD1-CB 4.43Å; L116-V158 HydrophobicContact CD1-CG2 3.88Å; R154-V158 WeakPolarHBondContact O-CG2 3.25Å; R154-V158 PolarHBondContact O-N 3.36Å; L155-V158 PolarHBondContact O-N 3.29Å; V156-V158 PolarHBondContact O-N 2.87Å; V158-Q160 VanDerWaalsContact C-N 3.35Å; V158-Q160 PolarHBondContact O-N 3.15Å; V158-S161 PolarHBondContact O-N 3.29Å; V158-S161 PolarHBondContact O-OG 3.46Å
159	L	95.3	Very high	94.4	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-68.1	-31.6	-179	-66.7	163.5	0	0	0	112.9	K113 L155 V156 S161 V162 I163 L187 T191 L208 L212	K113-L159 HydrophobicContact CB-CD2 3.94Å; K113-L159 HydrophobicContact CB-CG 4.42Å; K113-L159 HydrophobicContact CD-CD2 3.96Å; K113-L159 HydrophobicContact CG-CD2 4.37Å; L155-L159 HydrophobicContact CD1-CD1 3.7Å; L155-L159 HydrophobicContact CD1-CG 4.16Å; L155-L159 HydrophobicContact CG-CD1 3.84Å; L155-L159 WeakPolarHBondContact O-CG 3.4Å; L155-L159 PolarHBondContact O-N 2.83Å; V156-L159 PolarHBondContact O-N 2.82Å; L159-S161 PolarHBondContact O-N 3.24Å; L159-V162 PolarHBondContact O-N 3.01Å; L159-I163 WeakPolarHBondContact O-CG2 3.3Å; L159-I163 PolarHBondContact O-N 2.93Å; L159-L187 HydrophobicContact CD2-CD1 4.21Å; L159-T191 HydrophobicContact CD1-CG2 3.92Å; L159-T191 HydrophobicContact CD2-CG2 4.2Å; L159-L208 HydrophobicContact CD1-CD1 3.9Å; L159-L212 HydrophobicContact CB-CD2 3.72Å; L159-L212 HydrophobicContact CD1-CD1 4.45Å; L159-L212 HydrophobicContact CD1-CD2 3.97Å; L159-L212 HydrophobicContact CG-CD2 4.31Å
160	Q	92.3	Very high	94.4	Very high	55 Å²	55	45.9 Å²	45.9	26%	0.257	23%	0.226	S	C	.	.	H	α-helix	trans	-54.6	-39.6	174.4	-169.2	174.3	24.1	0	0	111.8	V156 V158 V162 R164 M215	V156-Q160 WeakPolarHBondContact O-CB 3.48Å; V156-Q160 PolarHBondContact O-N 3.36Å; V158-Q160 VanDerWaalsContact C-N 3.35Å; V158-Q160 PolarHBondContact O-N 3.15Å; Q160-V162 PolarHBondContact O-N 2.94Å; Q160-R164 WeakPolarHBondContact O-CB 2.92Å; Q160-R164 PolarHBondContact O-N 2.87Å; Q160-M215 HydrophobicContact CB-CE 4.48Å; Q160-M215 HydrophobicContact CB-SD 3.48Å; Q160-M215 WeakPolarHBondContact CB-SD 3.49Å; Q160-M215 HydrophobicContact CG-SD 3.54Å; Q160-M215 VanDerWaalsContact CG-SD 3.54Å
161	S	91.3	Very high	94.2	Very high	81 Å²	81	42.1 Å²	42.1	57%	0.566	21%	0.213	S	C	*	.	H	α-helix	trans	-66.5	-22.6	179.2	76.1	0	0	0	0	114.1	V158 L159 P165	V158-S161 PolarHBondContact O-N 3.29Å; V158-S161 PolarHBondContact O-OG 3.46Å; L159-S161 PolarHBondContact O-N 3.24Å; S161-P165 WeakPolarHBondContact O-CD 3.48Å; S161-P165 VanDerWaalsContact O-CG 3.32Å; S161-P165 WeakPolarHBondContact O-CG 3.48Å
162	V	94.2	Very high	93.9	Very high	72 Å²	72	45.1 Å²	45.1	44%	0.436	23%	0.229	S	C	.	.	H	α-helix	trans	-100.8	-40.5	-177.9	-170.6	0	0	0	0	111.6	L159 Q160 P165 A166 L187	L159-V162 PolarHBondContact O-N 3.01Å; Q160-V162 PolarHBondContact O-N 2.94Å; V162-P165 WeakPolarHBondContact O-CD 3.46Å; V162-A166 PolarHBondContact O-N 3.07Å; V162-L187 HydrophobicContact CB-CD2 4.15Å; V162-L187 HydrophobicContact CG1-CD1 4.1Å; V162-L187 HydrophobicContact CG1-CD2 4Å
163	I	94.4	Very high	93.5	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-71.7	-32.4	-176.9	-159.1	159.2	0	0	0	112.8	L159 A166 A167 L187 L212 M215 V216	L159-I163 WeakPolarHBondContact O-CG2 3.3Å; L159-I163 PolarHBondContact O-N 2.93Å; I163-A166 PolarHBondContact O-N 3.44Å; I163-A167 VanDerWaalsContact O-CB 3.3Å; I163-A167 WeakPolarHBondContact O-CB 3.3Å; I163-A167 PolarHBondContact O-N 2.82Å; I163-L187 HydrophobicContact CB-CD2 3.58Å; I163-L187 HydrophobicContact CD1-CD2 4.23Å; I163-L187 HydrophobicContact CG1-CD2 3.89Å; I163-L212 HydrophobicContact CD1-CB 3.85Å; I163-L212 HydrophobicContact CD1-CD2 3.73Å; I163-L212 HydrophobicContact CD1-CG 4.41Å; I163-L212 WeakPolarHBondContact CD1-O 3.06Å; I163-M215 HydrophobicContact CG2-CB 3.95Å; I163-M215 HydrophobicContact CG2-CE 4.16Å; I163-M215 HydrophobicContact CG2-SD 4.35Å; I163-V216 HydrophobicContact CD1-CG2 3.66Å; I163-V216 HydrophobicContact CG1-CG2 3.75Å
164	R	91.1	Very high	93.2	Very high	82 Å²	82	46 Å²	46	31%	0.309	24%	0.24	S	C	.	.	H	α-helix	trans	-65.9	-44.3	178	175.2	175.5	-67.9	172.1	1.7	112.4	Q160 F219 D347	Q160-R164 WeakPolarHBondContact O-CB 2.92Å; Q160-R164 PolarHBondContact O-N 2.87Å; R164-F219 HydrophobicContact CG-CD2 3.72Å; R164-F219 HydrophobicContact CG-CE2 4.15Å; R164-F219 HydrophobicContact CG-CG 4.32Å; R164-D347 IonicContact CZ-OD1 3.11Å; R164-D347 IonicContact CZ-OD2 3.88Å; R164-D347 IonicContact NH1-OD2 2.73Å; R164-D347 IonicContact NH2-OD1 3.71Å; R164-D347 PolarHBondContact NH2-OD1 2.96Å; R164-D347 IonicContact NH2-OD2 3.27Å; R164-D347 PolarHBondContact NH2-OD2 3.36Å
165	P	91.8	Very high	93.1	Very high	61 Å²	61	45.2 Å²	45.2	40%	0.396	24%	0.242	S	C	.	.	H	α-helix	trans	-56.9	-50.3	166.2	-29.1	35.3	0	0	0	113.8	S161 V162 A167 R168	S161-P165 WeakPolarHBondContact O-CD 3.48Å; S161-P165 VanDerWaalsContact O-CG 3.32Å; S161-P165 WeakPolarHBondContact O-CG 3.48Å; V162-P165 WeakPolarHBondContact O-CD 3.46Å; P165-A167 VanDerWaalsContact C-N 3.32Å; P165-A167 PolarHBondContact O-N 2.84Å; P165-R168 VanDerWaalsContact O-CB 3.3Å; P165-R168 WeakPolarHBondContact O-CB 3.38Å; P165-R168 PolarHBondContact O-N 3.34Å; P165-R168 VanDerWaalsContact O-N 3.14Å
166	A	93.9	Very high	92.9	Very high	10 Å²	10	49.2 Å²	49.2	8%	0.083	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-41.5	-178.5	0	0	0	0	0	112.8	V162 I163 R168 A169 D183 V184	V162-A166 PolarHBondContact O-N 3.07Å; I163-A166 PolarHBondContact O-N 3.44Å; A166-R168 PolarHBondContact O-N 2.87Å; A166-R168 VanDerWaalsContact O-N 3.16Å; A166-A169 PolarHBondContact O-N 2.77Å; A166-D183 HydrophobicContact CB-CB 3.67Å; A166-V184 HydrophobicContact CB-CG2 3.88Å
167	A	94.6	Very high	92.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-9.1	-179.2	0	0	0	0	0	114.4	I163 P165 A169 L170 V184 F219	I163-A167 VanDerWaalsContact O-CB 3.3Å; I163-A167 WeakPolarHBondContact O-CB 3.3Å; I163-A167 PolarHBondContact O-N 2.82Å; P165-A167 VanDerWaalsContact C-N 3.32Å; P165-A167 PolarHBondContact O-N 2.84Å; A167-A169 VanDerWaalsContact C-N 3.35Å; A167-L170 HydrophobicContact CB-CD1 4.12Å; A167-L170 WeakPolarHBondContact O-CB 3.41Å; A167-L170 PolarHBondContact O-N 3.34Å; A167-V184 HydrophobicContact CB-CG2 4.35Å; A167-F219 HydrophobicContact CB-CD1 3.51Å; A167-F219 HydrophobicContact CB-CE1 4.15Å; A167-F219 HydrophobicContact CB-CG 4.3Å; A167-F219 WeakPolarHBondContact O-CE1 3.45Å
168	R	93.3	Very high	92.8	Very high	148 Å²	148	55.2 Å²	55.2	56%	0.558	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-39.1	173.6	-71.2	173.8	173.6	137.8	-0.1	112.4	P165 A166 L170 L171 F219	P165-R168 VanDerWaalsContact O-CB 3.3Å; P165-R168 WeakPolarHBondContact O-CB 3.38Å; P165-R168 PolarHBondContact O-N 3.34Å; P165-R168 VanDerWaalsContact O-N 3.14Å; A166-R168 PolarHBondContact O-N 2.87Å; A166-R168 VanDerWaalsContact O-N 3.16Å; R168-L170 PolarHBondContact O-N 3.23Å; R168-L170 VanDerWaalsContact O-N 3.16Å; R168-L171 PolarHBondContact O-N 3.41Å; R168-L171 VanDerWaalsContact O-N 3.07Å; R168-F219 HydrophobicContact CB-CZ 4.5Å; R168-F219 HydrophobicContact CG-CE1 3.97Å; R168-F219 HydrophobicContact CG-CE2 4.43Å; R168-F219 HydrophobicContact CG-CZ 3.58Å
169	A	92.9	Very high	92.8	Very high	19 Å²	19	58 Å²	58	16%	0.157	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-60.8	-26.7	-178.3	0	0	0	0	0	112.4	A166 A167 L171 D172 L175 A180 R245	A166-A169 PolarHBondContact O-N 2.77Å; A167-A169 VanDerWaalsContact C-N 3.35Å; A169-L171 PolarHBondContact O-N 2.96Å; A169-D172 PolarHBondContact O-N 3.41Å; A169-L175 HydrophobicContact CB-CD1 3.78Å; A169-A180 WeakPolarHBondContact O-CB 3.42Å; A169-R245 PolarHBondContact O-NH1 3.2Å
170	L	94.7	Very high	92.7	Very high	2 Å²	2	58 Å²	58	1%	0.01	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-60.7	-27.5	176.2	-60.2	172.3	0	0	0	113.5	A167 R168 A180 T181 V184 V216 V220 L242 R245 I249	A167-L170 HydrophobicContact CB-CD1 4.12Å; A167-L170 WeakPolarHBondContact O-CB 3.41Å; A167-L170 PolarHBondContact O-N 3.34Å; R168-L170 PolarHBondContact O-N 3.23Å; R168-L170 VanDerWaalsContact O-N 3.16Å; L170-A180 VanDerWaalsContact CD2-O 3.25Å; L170-A180 WeakPolarHBondContact CD2-O 3.43Å; L170-A180 PolarHBondContact N-O 3.03Å; L170-T181 HydrophobicContact CD2-CG2 3.65Å; L170-V184 HydrophobicContact CD1-CG2 4.26Å; L170-V184 HydrophobicContact CG-CG2 4.47Å; L170-V216 HydrophobicContact CD1-CG1 3.73Å; L170-V220 HydrophobicContact CB-CG2 4.29Å; L170-V220 HydrophobicContact CD1-CG2 3.71Å; L170-L242 HydrophobicContact CB-CD2 4.4Å; L170-L242 VanDerWaalsContact O-CD2 3.27Å; L170-L242 WeakPolarHBondContact O-CD2 3.35Å; L170-R245 HydrophobicContact CD2-CB 4.07Å; L170-R245 WeakPolarHBondContact O-CD 3.28Å; L170-R245 PolarHBondContact O-NH1 3.15Å; L170-I249 HydrophobicContact CD1-CD1 4.15Å; L170-I249 HydrophobicContact CD2-CD1 3.92Å
171	L	93.2	Very high	93	Very high	10 Å²	10	55.5 Å²	55.5	5%	0.052	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-91.3	-13	-178.1	-64.4	163.2	0	0	0	113.4	R168 A169 I173 F219 V220 S223 L224 A231 L238 L242	R168-L171 PolarHBondContact O-N 3.41Å; R168-L171 VanDerWaalsContact O-N 3.07Å; A169-L171 PolarHBondContact O-N 2.96Å; L171-I173 PolarHBondContact O-N 3.05Å; L171-F219 HydrophobicContact CD1-CE1 3.85Å; L171-F219 HydrophobicContact CD1-CZ 4.21Å; L171-V220 HydrophobicContact CD2-CG1 4.19Å; L171-S223 VanDerWaalsContact CD1-CB 3.41Å; L171-L224 HydrophobicContact CD2-CD2 4.02Å; L171-L224 HydrophobicContact CD2-CG 4.3Å; L171-A231 HydrophobicContact CD1-CB 4.3Å; L171-L238 WeakPolarHBondContact O-CD1 3.46Å; L171-L242 HydrophobicContact CD2-CD1 4.37Å; L171-L242 HydrophobicContact CD2-CD2 4.36Å
172	D	90.1	Very high	93.2	Very high	64 Å²	64	52.9 Å²	52.9	34%	0.342	27%	0.271	S	S	.	.			trans	-78.3	112.1	-175.8	-171.7	-35.3	0	0	0	111.2	A169 H174 L175 R245	A169-D172 PolarHBondContact O-N 3.41Å; D172-H174 PolarHBondContact O-N 3.31Å; D172-H174 WeakPolarHBondContact OD1-CA 3.27Å; D172-H174 VanDerWaalsContact OD1-CB 3.31Å; D172-H174 WeakPolarHBondContact OD1-CB 3.4Å; D172-H174 IonicContact OD1-CD2 2.74Å; D172-H174 IonicContact OD1-CG 3.47Å; D172-H174 PolarHBondContact OD1-N 3.29Å; D172-L175 HydrophobicContact CB-CB 4.34Å; D172-L175 HydrophobicContact CB-CD1 3.93Å; D172-L175 HydrophobicContact CB-CG 3.97Å; D172-L175 PolarHBondContact OD1-N 2.84Å; D172-R245 VanDerWaalsContact O-CZ 3.29Å; D172-R245 PolarHBondContact O-NH1 3.49Å; D172-R245 PolarHBondContact O-NH2 3.44Å
173	I	89.3	Confident	93.3	Very high	27 Å²	27	54.2 Å²	54.2	14%	0.138	28%	0.276	C	S	.	.	S	Bend	trans	-74.3	-7.4	-178.5	63.1	169.4	0	0	0	114.3	L171 R237 L238	L171-I173 PolarHBondContact O-N 3.05Å; I173-R237 PolarHBondContact O-NE 3.27Å; I173-R237 PolarHBondContact O-NH2 2.85Å; I173-L238 HydrophobicContact CG2-CB 3.95Å; I173-L238 HydrophobicContact CG2-CD1 3.86Å; I173-L238 HydrophobicContact CG2-CG 4.5Å
174	H	89.1	Confident	93.5	Very high	154 Å²	154	54.1 Å²	54.1	71%	0.713	28%	0.275	S	S	*	.	S	Bend	trans	-98.1	-26.4	179.7	-53.8	-78.7	0	0	0	112.7	D172	D172-H174 PolarHBondContact O-N 3.31Å; D172-H174 WeakPolarHBondContact OD1-CA 3.27Å; D172-H174 VanDerWaalsContact OD1-CB 3.31Å; D172-H174 WeakPolarHBondContact OD1-CB 3.4Å; D172-H174 IonicContact OD1-CD2 2.74Å; D172-H174 IonicContact OD1-CG 3.47Å; D172-H174 PolarHBondContact OD1-N 3.29Å
175	L	92.3	Very high	93.8	Very high	65 Å²	65	51.7 Å²	51.7	34%	0.34	27%	0.268	S	S	.	.	S	Bend	trans	-65.8	150.5	167.8	-67	-179.3	0	0	0	111.4	A169 D172 A180 R245	A169-L175 HydrophobicContact CB-CD1 3.78Å; D172-L175 HydrophobicContact CB-CB 4.34Å; D172-L175 HydrophobicContact CB-CD1 3.93Å; D172-L175 HydrophobicContact CB-CG 3.97Å; D172-L175 PolarHBondContact OD1-N 2.84Å; L175-A180 HydrophobicContact CB-CB 4.13Å; L175-A180 HydrophobicContact CD1-CB 4.49Å; L175-R245 PolarHBondContact O-NH2 3.37Å
176	N	94.1	Very high	94	Very high	84 Å²	84	54.5 Å²	54.5	45%	0.449	28%	0.276	S	S	.	.			trans	-77.5	160	166.2	69.2	67.3	0	0	0	110.3	H178 D179 A180	N176-H178 VanDerWaalsContact C-N 3.27Å; N176-H178 PolarHBondContact O-N 3.07Å; N176-H178 WeakPolarHBondContact OD1-CB 3.48Å; N176-H178 PolarHBondContact OD1-N 3.16Å; N176-H178 VanDerWaalsContact OD1-N 3.14Å; N176-D179 PolarHBondContact ND2-OD2 3.49Å; N176-D179 PolarHBondContact O-N 3.14Å; N176-D179 PolarHBondContact OD1-N 3.49Å; N176-A180 WeakPolarHBondContact O-CB 3.48Å; N176-A180 PolarHBondContact O-N 2.93Å
177	D	93.3	Very high	94.1	Very high	56 Å²	56	54.7 Å²	54.7	30%	0.299	28%	0.275	S	S	.	.	H	α-helix	trans	-69.6	-21.1	-171.5	-57.7	-40	0	0	0	114.3	T181 R245	D177-T181 WeakPolarHBondContact O-CG2 3.34Å; D177-T181 PolarHBondContact O-N 3.48Å; D177-T181 PolarHBondContact O-OG1 2.81Å; D177-R245 HydrophobicContact CB-CG 3.94Å; D177-R245 IonicContact OD1-CZ 3.52Å; D177-R245 IonicContact OD1-NE 3.45Å; D177-R245 PolarHBondContact OD1-NE 3.16Å; D177-R245 IonicContact OD1-NH2 2.69Å; D177-R245 PolarHBondContact OD1-NH2 3.38Å
178	H	93.3	Very high	94.2	Very high	139 Å²	139	54.8 Å²	54.8	64%	0.644	28%	0.276	S	S	*	.	H	α-helix	trans	-71.3	-55.6	173.7	174.2	-86.8	0	0	0	110.2	N176 A180 T181 G182	N176-H178 VanDerWaalsContact C-N 3.27Å; N176-H178 PolarHBondContact O-N 3.07Å; N176-H178 WeakPolarHBondContact OD1-CB 3.48Å; N176-H178 PolarHBondContact OD1-N 3.16Å; N176-H178 VanDerWaalsContact OD1-N 3.14Å; H178-A180 VanDerWaalsContact C-N 3.3Å; H178-A180 PolarHBondContact O-N 3.42Å; H178-T181 CarbonylContact O-C 3.59Å; H178-T181 PolarHBondContact O-N 3.32Å; H178-T181 PolarHBondContact O-OG1 2.83Å; H178-G182 PolarHBondContact O-N 2.76Å
179	D	94.3	Very high	94.3	Very high	85 Å²	85	49.1 Å²	49.1	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-69.6	-32.2	-176.7	-58.5	-18.1	0	0	0	111.3	N176 T181 G182	N176-D179 PolarHBondContact ND2-OD2 3.49Å; N176-D179 PolarHBondContact O-N 3.14Å; N176-D179 PolarHBondContact OD1-N 3.49Å; D179-T181 VanDerWaalsContact C-N 3.25Å; D179-T181 PolarHBondContact O-N 2.6Å; D179-G182 PolarHBondContact O-N 3.4Å
180	A	94.3	Very high	94.5	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-63.3	-25.7	171.3	0	0	0	0	0	114.2	A169 L170 L175 N176 H178 R245	A169-A180 WeakPolarHBondContact O-CB 3.42Å; L170-A180 VanDerWaalsContact CD2-O 3.25Å; L170-A180 WeakPolarHBondContact CD2-O 3.43Å; L170-A180 PolarHBondContact N-O 3.03Å; L175-A180 HydrophobicContact CB-CB 4.13Å; L175-A180 HydrophobicContact CD1-CB 4.49Å; N176-A180 WeakPolarHBondContact O-CB 3.48Å; N176-A180 PolarHBondContact O-N 2.93Å; H178-A180 VanDerWaalsContact C-N 3.3Å; H178-A180 PolarHBondContact O-N 3.42Å; A180-R245 HydrophobicContact CB-CG 4.35Å; A180-R245 VanDerWaalsContact CB-CZ 3.44Å
181	T	97.1	Very high	94.5	Very high	3 Å²	3	50 Å²	50	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-104.4	-16.2	178.8	54.5	0	0	0	0	114	L170 D177 H178 D179 D183 V184 I185 R245 I249	L170-T181 HydrophobicContact CD2-CG2 3.65Å; D177-T181 WeakPolarHBondContact O-CG2 3.34Å; D177-T181 PolarHBondContact O-N 3.48Å; D177-T181 PolarHBondContact O-OG1 2.81Å; H178-T181 CarbonylContact O-C 3.59Å; H178-T181 PolarHBondContact O-N 3.32Å; H178-T181 PolarHBondContact O-OG1 2.83Å; D179-T181 VanDerWaalsContact C-N 3.25Å; D179-T181 PolarHBondContact O-N 2.6Å; T181-D183 PolarHBondContact O-N 2.89Å; T181-V184 PolarHBondContact O-N 2.85Å; T181-I185 WeakPolarHBondContact O-CG1 3.14Å; T181-I185 PolarHBondContact O-N 3.39Å; T181-R245 HydrophobicContact CG2-CB 3.58Å; T181-R245 HydrophobicContact CG2-CG 3.88Å; T181-R245 WeakPolarHBondContact CG2-O 3.24Å; T181-I249 HydrophobicContact CG2-CD1 4.47Å; T181-I249 HydrophobicContact CG2-CG1 4.33Å
182	G	96.5	Very high	94.5	Very high	26 Å²	26	49.7 Å²	49.7	27%	0.268	26%	0.259	S	S	.	.	H	α-helix	trans	-52.2	-55.1	-171.8	0	0	0	0	0	114.1	H178 D179 V184 I185 H186	H178-G182 PolarHBondContact O-N 2.76Å; D179-G182 PolarHBondContact O-N 3.4Å; G182-V184 VanDerWaalsContact C-N 3.34Å; G182-V184 PolarHBondContact O-N 3.39Å; G182-I185 PolarHBondContact O-N 2.81Å; G182-H186 WeakPolarHBondContact O-CB 3.37Å; G182-H186 PolarHBondContact O-N 2.88Å
183	D	96.6	Very high	94.7	Very high	101 Å²	101	53 Å²	53	54%	0.54	27%	0.266	S	S	.	.	H	α-helix	trans	-62.4	-38.5	-178.1	-77.6	-18.6	0	0	0	112.9	A166 T181 L187	A166-D183 HydrophobicContact CB-CB 3.67Å; T181-D183 PolarHBondContact O-N 2.89Å; D183-L187 VanDerWaalsContact O-CB 3.3Å; D183-L187 WeakPolarHBondContact O-CB 3.45Å; D183-L187 PolarHBondContact O-N 2.77Å
184	V	97.6	Very high	94.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-69.5	-45.3	179.2	178.6	0	0	0	0	110.4	A166 A167 L170 T181 G182 L187 L188 V216 I249	A166-V184 HydrophobicContact CB-CG2 3.88Å; A167-V184 HydrophobicContact CB-CG2 4.35Å; L170-V184 HydrophobicContact CD1-CG2 4.26Å; L170-V184 HydrophobicContact CG-CG2 4.47Å; T181-V184 PolarHBondContact O-N 2.85Å; G182-V184 VanDerWaalsContact C-N 3.34Å; G182-V184 PolarHBondContact O-N 3.39Å; V184-L187 PolarHBondContact O-N 2.84Å; V184-L188 HydrophobicContact CG1-CD1 4.16Å; V184-L188 WeakPolarHBondContact O-CB 3.47Å; V184-L188 VanDerWaalsContact O-CG 3.28Å; V184-L188 WeakPolarHBondContact O-CG 3.39Å; V184-L188 PolarHBondContact O-N 3.38Å; V184-V216 HydrophobicContact CG1-CG2 3.89Å; V184-I249 HydrophobicContact CG1-CD1 3.98Å; V184-I249 HydrophobicContact CG1-CG1 4.49Å
185	I	97.5	Very high	95.1	Very high	31 Å²	31	46 Å²	46	16%	0.159	23%	0.233	C	C	.	.	H	α-helix	trans	-65.4	-41.3	177.4	-71.2	175	0	0	0	110.9	T181 G182 L188 D189 I249 F252	T181-I185 WeakPolarHBondContact O-CG1 3.14Å; T181-I185 PolarHBondContact O-N 3.39Å; G182-I185 PolarHBondContact O-N 2.81Å; I185-L188 PolarHBondContact O-N 2.8Å; I185-D189 PolarHBondContact O-N 2.79Å; I185-I249 HydrophobicContact CD1-CG1 4.42Å; I185-I249 HydrophobicContact CG1-CG1 4.14Å; I185-F252 HydrophobicContact CD1-CB 4.41Å; I185-F252 HydrophobicContact CG1-CB 4.34Å; I185-F252 HydrophobicContact CG1-CG 4.43Å; I185-F252 HydrophobicContact CG2-CB 4.41Å; I185-F252 HydrophobicContact CG2-CD1 4.39Å; I185-F252 HydrophobicContact CG2-CD2 3.6Å; I185-F252 HydrophobicContact CG2-CE2 3.97Å; I185-F252 HydrophobicContact CG2-CG 3.84Å
186	H	96.6	Very high	95	Very high	119 Å²	119	49 Å²	49	55%	0.551	24%	0.24	S	C	*	.	H	α-helix	trans	-66.6	-39.9	177.2	177.2	-114.7	0	0	0	112.6	G182 D189 T190	G182-H186 WeakPolarHBondContact O-CB 3.37Å; G182-H186 PolarHBondContact O-N 2.88Å; H186-D189 PolarHBondContact O-N 3.11Å; H186-T190 WeakPolarHBondContact NE2-CG2 3.48Å; H186-T190 WeakPolarHBondContact O-CB 3.48Å; H186-T190 WeakPolarHBondContact O-CG2 3.33Å; H186-T190 PolarHBondContact O-N 2.97Å; H186-T190 PolarHBondContact O-OG1 3.45Å
187	L	96.7	Very high	94.8	Very high	14 Å²	14	49.2 Å²	49.2	7%	0.073	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-40.7	173.7	-178	61.2	0	0	0	111.5	L159 V162 I163 D183 V184 T190 T191	L159-L187 HydrophobicContact CD2-CD1 4.21Å; V162-L187 HydrophobicContact CB-CD2 4.15Å; V162-L187 HydrophobicContact CG1-CD1 4.1Å; V162-L187 HydrophobicContact CG1-CD2 4Å; I163-L187 HydrophobicContact CB-CD2 3.58Å; I163-L187 HydrophobicContact CD1-CD2 4.23Å; I163-L187 HydrophobicContact CG1-CD2 3.89Å; D183-L187 VanDerWaalsContact O-CB 3.3Å; D183-L187 WeakPolarHBondContact O-CB 3.45Å; D183-L187 PolarHBondContact O-N 2.77Å; V184-L187 PolarHBondContact O-N 2.84Å; L187-T190 PolarHBondContact O-OG1 3Å; L187-T191 WeakPolarHBondContact O-CB 3.48Å; L187-T191 PolarHBondContact O-N 2.95Å; L187-T191 VanDerWaalsContact O-N 3.17Å; L187-T191 PolarHBondContact O-OG1 3.07Å
188	L	96.3	Very high	94.7	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-64.4	-48.7	174.6	-71.6	167.9	0	0	0	111.4	V184 I185 T191 M192 L212 L213 I249 F252	V184-L188 HydrophobicContact CG1-CD1 4.16Å; V184-L188 WeakPolarHBondContact O-CB 3.47Å; V184-L188 VanDerWaalsContact O-CG 3.28Å; V184-L188 WeakPolarHBondContact O-CG 3.39Å; V184-L188 PolarHBondContact O-N 3.38Å; I185-L188 PolarHBondContact O-N 2.8Å; L188-T191 PolarHBondContact O-N 3.27Å; L188-M192 WeakPolarHBondContact O-CB 3.38Å; L188-M192 WeakPolarHBondContact O-CG 3.37Å; L188-M192 PolarHBondContact O-N 3.35Å; L188-L212 HydrophobicContact CD2-CB 3.83Å; L188-L212 HydrophobicContact CD2-CD1 4.08Å; L188-L213 HydrophobicContact CD1-CD2 4.37Å; L188-I249 HydrophobicContact CD1-CG2 4.11Å; L188-F252 HydrophobicContact CB-CD1 4.26Å; L188-F252 HydrophobicContact CB-CE1 3.69Å; L188-F252 HydrophobicContact CD1-CD1 4.42Å
189	D	95.4	Very high	94.6	Very high	30 Å²	30	41.6 Å²	41.6	16%	0.16	21%	0.213	C	C	.	.	H	α-helix	trans	-59.1	-56.4	178.5	-176.1	79.9	0	0	0	111.8	I185 H186 T191 M192 R193 F252	I185-D189 PolarHBondContact O-N 2.79Å; H186-D189 PolarHBondContact O-N 3.11Å; D189-T191 PolarHBondContact O-N 3.37Å; D189-M192 PolarHBondContact O-N 2.72Å; D189-R193 WeakPolarHBondContact O-CB 3.4Å; D189-R193 PolarHBondContact O-N 3.07Å; D189-R193 IonicContact OD1-CZ 2.66Å; D189-R193 IonicContact OD1-NE 3.57Å; D189-R193 IonicContact OD1-NH2 3.96Å; D189-R193 PolarHBondContact OD1-NH2 2.97Å; D189-R193 IonicContact OD2-CZ 3.57Å; D189-R193 VanDerWaalsContact OD2-CZ 3.24Å; D189-R193 IonicContact OD2-NE 3.67Å; D189-R193 PolarHBondContact OD2-NE 3.02Å; D189-R193 IonicContact OD2-NH2 2.68Å; D189-R193 PolarHBondContact OD2-NH2 3.38Å; D189-F252 HydrophobicContact CB-CE2 4.07Å; D189-F252 HydrophobicContact CB-CZ 3.61Å
190	T	96	Very high	94.6	Very high	39 Å²	39	38.1 Å²	38.1	24%	0.239	19%	0.194	C	C	.	.	H	α-helix	trans	-60.4	-35.9	-176.3	55.6	0	0	0	0	112.2	H186 L187 Q194	H186-T190 WeakPolarHBondContact NE2-CG2 3.48Å; H186-T190 WeakPolarHBondContact O-CB 3.48Å; H186-T190 WeakPolarHBondContact O-CG2 3.33Å; H186-T190 PolarHBondContact O-N 2.97Å; H186-T190 PolarHBondContact O-OG1 3.45Å; L187-T190 PolarHBondContact O-OG1 3Å; T190-Q194 WeakPolarHBondContact O-CB 3.41Å; T190-Q194 PolarHBondContact O-N 2.92Å
191	T	95.8	Very high	94.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-72.9	-45.1	178.6	-55.8	0	0	0	0	112	I117 L159 L187 L188 D189 Q194 A195 L208 L212	I117-T191 HydrophobicContact CD1-CG2 3.98Å; L159-T191 HydrophobicContact CD1-CG2 3.92Å; L159-T191 HydrophobicContact CD2-CG2 4.2Å; L187-T191 WeakPolarHBondContact O-CB 3.48Å; L187-T191 PolarHBondContact O-N 2.95Å; L187-T191 VanDerWaalsContact O-N 3.17Å; L187-T191 PolarHBondContact O-OG1 3.07Å; L188-T191 PolarHBondContact O-N 3.27Å; D189-T191 PolarHBondContact O-N 3.37Å; T191-Q194 PolarHBondContact O-N 3Å; T191-A195 PolarHBondContact O-N 3.3Å; T191-L208 HydrophobicContact CG2-CD2 4.05Å; T191-L212 HydrophobicContact CG2-CD1 4.12Å
192	M	93.5	Very high	94.2	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.02	21%	0.214	C	C	.	.	H	α-helix	trans	-71.4	-33.8	177.6	-64.6	-63.4	100.6	0	0	112.3	L188 D189 A195 R196 T205 L208 C209 L212 M256	L188-M192 WeakPolarHBondContact O-CB 3.38Å; L188-M192 WeakPolarHBondContact O-CG 3.37Å; L188-M192 PolarHBondContact O-N 3.35Å; D189-M192 PolarHBondContact O-N 2.72Å; M192-A195 PolarHBondContact O-N 3.03Å; M192-R196 WeakPolarHBondContact O-CG 3.44Å; M192-R196 PolarHBondContact O-N 2.86Å; M192-T205 HydrophobicContact CE-CG2 4.43Å; M192-T205 HydrophobicContact SD-CG2 3.58Å; M192-T205 VanDerWaalsContact SD-CG2 3.58Å; M192-L208 HydrophobicContact CE-CB 4.3Å; M192-L208 HydrophobicContact CE-CD2 3.85Å; M192-L208 HydrophobicContact CE-CG 3.93Å; M192-C209 HydrophobicContact CE-CB 4.27Å; M192-C209 HydrophobicContact SD-CB 3.81Å; M192-L212 HydrophobicContact CE-CD1 4.02Å; M192-M256 HydrophobicContact CB-CE 3.46Å; M192-M256 VanDerWaalsContact CB-CE 3.46Å; M192-M256 HydrophobicContact CG-CE 4.15Å
193	R	92.9	Very high	93.9	Very high	132 Å²	132	41.1 Å²	41.1	50%	0.498	22%	0.215	S	C	.	.	H	α-helix	trans	-63.9	-46.4	173.2	-174.8	-178.9	-59.5	-87.9	-7	110.8	D189 A195 R196 I197	D189-R193 WeakPolarHBondContact O-CB 3.4Å; D189-R193 PolarHBondContact O-N 3.07Å; D189-R193 IonicContact OD1-CZ 2.66Å; D189-R193 IonicContact OD1-NE 3.57Å; D189-R193 IonicContact OD1-NH2 3.96Å; D189-R193 PolarHBondContact OD1-NH2 2.97Å; D189-R193 IonicContact OD2-CZ 3.57Å; D189-R193 VanDerWaalsContact OD2-CZ 3.24Å; D189-R193 IonicContact OD2-NE 3.67Å; D189-R193 PolarHBondContact OD2-NE 3.02Å; D189-R193 IonicContact OD2-NH2 2.68Å; D189-R193 PolarHBondContact OD2-NH2 3.38Å; R193-A195 PolarHBondContact O-N 2.79Å; R193-R196 PolarHBondContact O-N 2.94Å; R193-I197 HydrophobicContact CG-CD1 4Å; R193-I197 VanDerWaalsContact O-CG1 3.3Å; R193-I197 WeakPolarHBondContact O-CG1 3.38Å; R193-I197 PolarHBondContact O-N 3.06Å
194	Q	93.4	Very high	93.8	Very high	34 Å²	34	36.3 Å²	36.3	16%	0.159	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-40	174.5	-175.9	67.4	-3	0	0	112	D114 I117 T190 T191 R196 I197 C198	D114-Q194 HydrophobicContact CB-CG 3.99Å; D114-Q194 WeakPolarHBondContact OD1-CG 3.48Å; I117-Q194 HydrophobicContact CB-CG 4.32Å; I117-Q194 HydrophobicContact CD1-CB 4.18Å; I117-Q194 HydrophobicContact CD1-CG 4.06Å; I117-Q194 HydrophobicContact CG2-CG 4.06Å; T190-Q194 WeakPolarHBondContact O-CB 3.41Å; T190-Q194 PolarHBondContact O-N 2.92Å; T191-Q194 PolarHBondContact O-N 3Å; Q194-R196 PolarHBondContact O-N 3.17Å; Q194-I197 PolarHBondContact O-N 2.95Å; Q194-C198 WeakPolarHBondContact O-CB 3.43Å; Q194-C198 PolarHBondContact O-N 3.12Å; Q194-C198 PolarHBondContact O-SG 3.07Å
195	A	93.6	Very high	93.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-56.9	-47.1	174.4	0	0	0	0	0	112.2	I117 T191 M192 R193 C198 G199 L200 T205	I117-A195 HydrophobicContact CG2-CB 4.23Å; T191-A195 PolarHBondContact O-N 3.3Å; M192-A195 PolarHBondContact O-N 3.03Å; R193-A195 PolarHBondContact O-N 2.79Å; A195-C198 PolarHBondContact O-N 3.49Å; A195-G199 PolarHBondContact O-N 2.83Å; A195-L200 HydrophobicContact CB-CB 4.15Å; A195-L200 HydrophobicContact CB-CD2 3.94Å; A195-L200 VanDerWaalsContact O-CB 3.32Å; A195-L200 WeakPolarHBondContact O-CB 3.46Å; A195-L200 PolarHBondContact O-N 3.15Å; A195-T205 HydrophobicContact CB-CG2 4.14Å
196	R	90.5	Very high	93.3	Very high	128 Å²	128	39.1 Å²	39.1	48%	0.483	20%	0.204	S	C	.	.	H	α-helix	trans	-63.4	-45	175.3	-67.8	171.3	-173.4	150.8	-0.4	112.3	M192 R193 Q194 C198 G199 M256	M192-R196 WeakPolarHBondContact O-CG 3.44Å; M192-R196 PolarHBondContact O-N 2.86Å; R193-R196 PolarHBondContact O-N 2.94Å; Q194-R196 PolarHBondContact O-N 3.17Å; R196-C198 VanDerWaalsContact C-N 3.31Å; R196-C198 PolarHBondContact O-N 2.84Å; R196-G199 PolarHBondContact O-N 2.81Å; R196-G199 VanDerWaalsContact O-N 3.08Å; R196-M256 VanDerWaalsContact NH1-CE 3.29Å; R196-M256 PolarHBondContact NH1-SD 3.36Å; R196-M256 PolarHBondContact NH2-O 3.28Å; R196-M256 PolarHBondContact NH2-SD 3.49Å; R196-M256 VanDerWaalsContact NH2-SD 3.38Å
197	I	89.8	Confident	93.2	Very high	89 Å²	89	34.9 Å²	34.9	46%	0.456	19%	0.185	S	C	.	.	H	α-helix	trans	-60.9	-39.6	178.3	-71.2	166.7	0	0	0	111.6	R70 R193 Q194 G199	R70-I197 VanDerWaalsContact CG-O 3.3Å; R70-I197 WeakPolarHBondContact CG-O 3.35Å; R193-I197 HydrophobicContact CG-CD1 4Å; R193-I197 VanDerWaalsContact O-CG1 3.3Å; R193-I197 WeakPolarHBondContact O-CG1 3.38Å; R193-I197 PolarHBondContact O-N 3.06Å; Q194-I197 PolarHBondContact O-N 2.95Å; I197-G199 PolarHBondContact O-N 3.5Å
198	C	91.6	Very high	93.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-5.9	177.1	-72	0	0	0	0	114.4	I117 A121 Q194 A195 R196	I117-C198 HydrophobicContact CG2-CB 4.06Å; A121-C198 HydrophobicContact CB-CB 4.23Å; A121-C198 WeakPolarHBondContact CB-O 3.47Å; Q194-C198 WeakPolarHBondContact O-CB 3.43Å; Q194-C198 PolarHBondContact O-N 3.12Å; Q194-C198 PolarHBondContact O-SG 3.07Å; A195-C198 PolarHBondContact O-N 3.49Å; R196-C198 VanDerWaalsContact C-N 3.31Å; R196-C198 PolarHBondContact O-N 2.84Å
199	G	90.1	Very high	93	Very high	36 Å²	36	34.2 Å²	34.2	37%	0.371	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	29.6	-175.1	0	0	0	0	0	113.6	A195 R196 I197 N201	A195-G199 PolarHBondContact O-N 2.83Å; R196-G199 PolarHBondContact O-N 2.81Å; R196-G199 VanDerWaalsContact O-N 3.08Å; I197-G199 PolarHBondContact O-N 3.5Å; G199-N201 PolarHBondContact O-N 2.6Å
200	L	94.1	Very high	92.9	Very high	11 Å²	11	32.8 Å²	32.8	6%	0.058	17%	0.174	C	C	.	.			trans	-68.4	125.5	176.8	-174.6	66	0	0	0	110.4	L120 A121 A195 L204 T205	L120-L200 HydrophobicContact CB-CD1 4.33Å; L120-L200 HydrophobicContact CD2-CD1 3.87Å; L120-L200 HydrophobicContact CD2-CD2 4.03Å; L120-L200 HydrophobicContact CG-CD1 3.81Å; A121-L200 HydrophobicContact CB-CB 4.17Å; A121-L200 HydrophobicContact CB-CD1 4.06Å; A195-L200 HydrophobicContact CB-CB 4.15Å; A195-L200 HydrophobicContact CB-CD2 3.94Å; A195-L200 VanDerWaalsContact O-CB 3.32Å; A195-L200 WeakPolarHBondContact O-CB 3.46Å; A195-L200 PolarHBondContact O-N 3.15Å; L200-L204 HydrophobicContact CD1-CB 3.89Å; L200-L204 HydrophobicContact CD1-CD1 3.79Å; L200-L204 HydrophobicContact CD1-CG 4.5Å; L200-L204 HydrophobicContact CD2-CB 4.27Å; L200-L204 HydrophobicContact CG-CB 3.97Å; L200-T205 PolarHBondContact O-OG1 3.44Å
201	N	93.1	Very high	92.9	Very high	11 Å²	11	32.1 Å²	32.1	6%	0.059	17%	0.168	C	C	.	.			trans	-47.5	140.8	178.3	173.6	-77	0	0	0	112.6	G199 A203 L204 T205 P356 D358 G359 Y360	G199-N201 PolarHBondContact O-N 2.6Å; N201-A203 VanDerWaalsContact C-N 3.32Å; N201-A203 PolarHBondContact O-N 3.12Å; N201-A203 WeakPolarHBondContact OD1-CB 3.19Å; N201-A203 PolarHBondContact OD1-N 3.16Å; N201-L204 HydrophobicContact CB-CD1 4.46Å; N201-L204 PolarHBondContact O-N 3.21Å; N201-T205 PolarHBondContact O-N 2.94Å; N201-T205 PolarHBondContact O-OG1 3.35Å; N201-P356 HydrophobicContact CB-CG 4.16Å; N201-P356 VanDerWaalsContact CG-CG 3.47Å; N201-P356 WeakPolarHBondContact OD1-CB 3.39Å; N201-P356 WeakPolarHBondContact OD1-CG 3.47Å; N201-D358 PolarHBondContact ND2-O 3.01Å; N201-G359 PolarHBondContact ND2-O 3.45Å; N201-Y360 HydrophobicContact CB-CE1 4.29Å
202	A	90.4	Very high	92.9	Very high	47 Å²	47	32.1 Å²	32.1	39%	0.388	17%	0.168	S	C	.	.	H	α-helix	trans	-56.4	-40.5	-174.8	0	0	0	0	0	113.3	L204 T205 I206	A202-L204 PolarHBondContact O-N 3.43Å; A202-T205 WeakPolarHBondContact O-CB 3.24Å; A202-T205 PolarHBondContact O-N 3.2Å; A202-I206 VanDerWaalsContact O-CG1 3.3Å; A202-I206 WeakPolarHBondContact O-CG1 3.32Å; A202-I206 PolarHBondContact O-N 2.88Å
203	A	91.1	Very high	93	Very high	35 Å²	35	32 Å²	32	29%	0.289	17%	0.167	S	C	.	.	H	α-helix	trans	-74.3	-22.9	179.8	0	0	0	0	0	113.7	N201 Q207 P356	N201-A203 VanDerWaalsContact C-N 3.32Å; N201-A203 PolarHBondContact O-N 3.12Å; N201-A203 WeakPolarHBondContact OD1-CB 3.19Å; N201-A203 PolarHBondContact OD1-N 3.16Å; A203-Q207 WeakPolarHBondContact O-CG 3.12Å; A203-Q207 PolarHBondContact O-N 3.02Å; A203-Q207 PolarHBondContact O-NE2 3.29Å; A203-P356 HydrophobicContact CB-CB 4.45Å; A203-P356 HydrophobicContact CB-CG 4.12Å
204	L	94.3	Very high	93.1	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-75.8	-37.2	166.5	-72.9	172.5	0	0	0	111.3	S124 L200 N201 A202 Q207 L208 F353 P356	S124-L204 WeakPolarHBondContact OG-CD1 3.34Å; L200-L204 HydrophobicContact CD1-CB 3.89Å; L200-L204 HydrophobicContact CD1-CD1 3.79Å; L200-L204 HydrophobicContact CD1-CG 4.5Å; L200-L204 HydrophobicContact CD2-CB 4.27Å; L200-L204 HydrophobicContact CG-CB 3.97Å; N201-L204 HydrophobicContact CB-CD1 4.46Å; N201-L204 PolarHBondContact O-N 3.21Å; A202-L204 PolarHBondContact O-N 3.43Å; L204-Q207 PolarHBondContact O-N 2.76Å; L204-L208 WeakPolarHBondContact O-CB 3.38Å; L204-L208 PolarHBondContact O-N 3.46Å; L204-F353 HydrophobicContact CD2-CE2 3.7Å; L204-F353 HydrophobicContact CD2-CZ 3.71Å; L204-P356 HydrophobicContact CD1-CG 4.26Å; L204-P356 HydrophobicContact CD2-CG 4.46Å; L204-P356 HydrophobicContact CG-CG 3.77Å
205	T	93.3	Very high	93.2	Very high	13 Å²	13	25.3 Å²	25.3	8%	0.08	14%	0.142	C	C	.	.	H	α-helix	trans	-64.9	-42.1	175.8	-58.4	0	0	0	0	111.7	M192 A195 L200 N201 A202 L208 C209	M192-T205 HydrophobicContact CE-CG2 4.43Å; M192-T205 HydrophobicContact SD-CG2 3.58Å; M192-T205 VanDerWaalsContact SD-CG2 3.58Å; A195-T205 HydrophobicContact CB-CG2 4.14Å; L200-T205 PolarHBondContact O-OG1 3.44Å; N201-T205 PolarHBondContact O-N 2.94Å; N201-T205 PolarHBondContact O-OG1 3.35Å; A202-T205 WeakPolarHBondContact O-CB 3.24Å; A202-T205 PolarHBondContact O-N 3.2Å; T205-L208 PolarHBondContact O-N 3.02Å; T205-C209 WeakPolarHBondContact O-CB 3.27Å; T205-C209 PolarHBondContact O-N 2.66Å
206	I	91.3	Very high	93.3	Very high	76 Å²	76	25.6 Å²	25.6	39%	0.39	14%	0.144	S	C	.	.	H	α-helix	trans	-62.7	-45.5	173.1	-68.9	161.8	0	0	0	110.9	A202 L208 C209 G210 V258	A202-I206 VanDerWaalsContact O-CG1 3.3Å; A202-I206 WeakPolarHBondContact O-CG1 3.32Å; A202-I206 PolarHBondContact O-N 2.88Å; I206-L208 VanDerWaalsContact C-N 3.34Å; I206-L208 PolarHBondContact O-N 3.39Å; I206-C209 PolarHBondContact O-N 3.1Å; I206-G210 PolarHBondContact O-N 2.92Å; I206-V258 HydrophobicContact CG1-CG1 4.21Å
207	Q	93.8	Very high	93.6	Very high	31 Å²	31	19.7 Å²	19.7	15%	0.145	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-43.5	175.2	-80.7	172.3	94.4	0	0	111.9	F152 A203 L204 G210 H211 L354	F152-Q207 HydrophobicContact CE2-CB 4.21Å; F152-Q207 HydrophobicContact CZ-CB 4.06Å; A203-Q207 WeakPolarHBondContact O-CG 3.12Å; A203-Q207 PolarHBondContact O-N 3.02Å; A203-Q207 PolarHBondContact O-NE2 3.29Å; L204-Q207 PolarHBondContact O-N 2.76Å; Q207-G210 PolarHBondContact O-N 3.46Å; Q207-H211 PolarHBondContact O-N 3.26Å; Q207-H211 VanDerWaalsContact O-N 3.11Å; Q207-H211 PolarHBondContact O-ND1 3.23Å; Q207-L354 PolarHBondContact NE2-O 2.96Å; Q207-L354 PolarHBondContact OE1-O 3.48Å
208	L	94.6	Very high	93.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.8	-45.8	176.9	-177.4	61.3	0	0	0	111.6	F152 L155 V156 L159 T191 M192 L204 T205 I206 G210 H211 L212	F152-L208 HydrophobicContact CE2-CB 4.07Å; F152-L208 HydrophobicContact CE2-CD1 4.38Å; L155-L208 HydrophobicContact CD2-CD1 3.84Å; L155-L208 HydrophobicContact CD2-CD2 3.83Å; L155-L208 HydrophobicContact CG-CD1 4.04Å; V156-L208 HydrophobicContact CG2-CD1 4.27Å; L159-L208 HydrophobicContact CD1-CD1 3.9Å; T191-L208 HydrophobicContact CG2-CD2 4.05Å; M192-L208 HydrophobicContact CE-CB 4.3Å; M192-L208 HydrophobicContact CE-CD2 3.85Å; M192-L208 HydrophobicContact CE-CG 3.93Å; L204-L208 WeakPolarHBondContact O-CB 3.38Å; L204-L208 PolarHBondContact O-N 3.46Å; T205-L208 PolarHBondContact O-N 3.02Å; I206-L208 VanDerWaalsContact C-N 3.34Å; I206-L208 PolarHBondContact O-N 3.39Å; L208-G210 VanDerWaalsContact C-N 3.34Å; L208-G210 PolarHBondContact O-N 3.42Å; L208-H211 PolarHBondContact O-N 2.94Å; L208-L212 HydrophobicContact CG-CD1 4.24Å; L208-L212 WeakPolarHBondContact O-CG 3.46Å; L208-L212 PolarHBondContact O-N 3.47Å; L208-L212 VanDerWaalsContact O-N 3.1Å
209	C	94.4	Very high	93.8	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.007	11%	0.106	C	C	.	.	H	α-helix	trans	-59.8	-43.6	175.9	-166.8	0	0	0	0	111.8	M192 T205 I206 H211 L212 L213	M192-C209 HydrophobicContact CE-CB 4.27Å; M192-C209 HydrophobicContact SD-CB 3.81Å; T205-C209 WeakPolarHBondContact O-CB 3.27Å; T205-C209 PolarHBondContact O-N 2.66Å; I206-C209 PolarHBondContact O-N 3.1Å; C209-H211 PolarHBondContact O-N 3.17Å; C209-L212 WeakPolarHBondContact O-CB 3.46Å; C209-L212 PolarHBondContact O-N 3.38Å; C209-L212 VanDerWaalsContact O-N 3.15Å; C209-L213 WeakPolarHBondContact O-CG 3.28Å; C209-L213 PolarHBondContact O-N 3Å; C209-L213 VanDerWaalsContact SG-CD1 3.6Å
210	G	94.3	Very high	94	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-61.2	-39	177.2	0	0	0	0	0	113.9	I206 Q207 L208 H214 H265	I206-G210 PolarHBondContact O-N 2.92Å; Q207-G210 PolarHBondContact O-N 3.46Å; L208-G210 VanDerWaalsContact C-N 3.34Å; L208-G210 PolarHBondContact O-N 3.42Å; G210-H214 VanDerWaalsContact O-CB 3.27Å; G210-H214 WeakPolarHBondContact O-CB 3.45Å; G210-H214 PolarHBondContact O-N 3.43Å; G210-H265 VanDerWaalsContact CA-CD2 3.43Å; G210-H265 WeakPolarHBondContact CA-CD2 3.44Å; G210-H265 WeakPolarHBondContact CA-NE2 3.39Å; G210-H265 PolarHBondContact O-CE1 2.9Å; G210-H265 PolarHBondContact O-ND1 2.89Å
211	H	94.9	Very high	94	Very high	24 Å²	24	14.7 Å²	14.7	11%	0.111	9%	0.086	C	C	.	.	H	α-helix	trans	-64.7	-42.5	172.5	-73.9	71.9	0	0	0	111.7	F152 V156 Q207 L208 C209 H214 M215 L349	F152-H211 AromaticContact CE1-CE1 3.58Å; F152-H211 AromaticContact CE1-ND1 3.84Å; F152-H211 AromaticContact CE1-NE2 3.8Å; F152-H211 AromaticContact CZ-CE1 3.77Å; F152-H211 AromaticContact CZ-ND1 3.63Å; V156-H211 HydrophobicContact CG1-CB 4.21Å; V156-H211 HydrophobicContact CG2-CB 3.98Å; Q207-H211 PolarHBondContact O-N 3.26Å; Q207-H211 VanDerWaalsContact O-N 3.11Å; Q207-H211 PolarHBondContact O-ND1 3.23Å; L208-H211 PolarHBondContact O-N 2.94Å; C209-H211 PolarHBondContact O-N 3.17Å; H211-H214 PolarHBondContact O-N 3.23Å; H211-M215 WeakPolarHBondContact O-CE 3.31Å; H211-M215 WeakPolarHBondContact O-CG 3.28Å; H211-M215 PolarHBondContact O-N 3.46Å; H211-L349 HydrophobicContact CB-CD2 4.36Å
212	L	95.6	Very high	94.1	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-63	-47.7	178.1	-67.1	163.4	0	0	0	111.9	L159 I163 L188 T191 M192 L208 C209 H214 M215 V216	L159-L212 HydrophobicContact CB-CD2 3.72Å; L159-L212 HydrophobicContact CD1-CD1 4.45Å; L159-L212 HydrophobicContact CD1-CD2 3.97Å; L159-L212 HydrophobicContact CG-CD2 4.31Å; I163-L212 HydrophobicContact CD1-CB 3.85Å; I163-L212 HydrophobicContact CD1-CD2 3.73Å; I163-L212 HydrophobicContact CD1-CG 4.41Å; I163-L212 WeakPolarHBondContact CD1-O 3.06Å; L188-L212 HydrophobicContact CD2-CB 3.83Å; L188-L212 HydrophobicContact CD2-CD1 4.08Å; T191-L212 HydrophobicContact CG2-CD1 4.12Å; M192-L212 HydrophobicContact CE-CD1 4.02Å; L208-L212 HydrophobicContact CG-CD1 4.24Å; L208-L212 WeakPolarHBondContact O-CG 3.46Å; L208-L212 PolarHBondContact O-N 3.47Å; L208-L212 VanDerWaalsContact O-N 3.1Å; C209-L212 WeakPolarHBondContact O-CB 3.46Å; C209-L212 PolarHBondContact O-N 3.38Å; C209-L212 VanDerWaalsContact O-N 3.15Å; L212-H214 VanDerWaalsContact C-N 3.35Å; L212-H214 PolarHBondContact O-N 2.95Å; L212-M215 HydrophobicContact CD2-CE 3.8Å; L212-M215 HydrophobicContact CG-CE 4.4Å; L212-M215 PolarHBondContact O-N 2.98Å; L212-V216 PolarHBondContact O-N 2.8Å; L212-V216 VanDerWaalsContact O-N 3.08Å
213	L	96	Very high	94.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.6	-38.6	178.1	-67.6	163	0	0	0	111.8	L188 C209 V216 N217 I249 A261 A262 H265 L266	L188-L213 HydrophobicContact CD1-CD2 4.37Å; C209-L213 WeakPolarHBondContact O-CG 3.28Å; C209-L213 PolarHBondContact O-N 3Å; C209-L213 VanDerWaalsContact SG-CD1 3.6Å; L213-V216 PolarHBondContact O-N 3.43Å; L213-N217 PolarHBondContact O-N 3.29Å; L213-I249 HydrophobicContact CD2-CG2 3.99Å; L213-A261 HydrophobicContact CD1-CB 3.82Å; L213-A262 HydrophobicContact CD1-CB 4.17Å; L213-A262 HydrophobicContact CD2-CB 4.47Å; L213-H265 HydrophobicContact CB-CB 3.77Å; L213-L266 HydrophobicContact CB-CD2 4.26Å; L213-L266 HydrophobicContact CB-CG 4.49Å; L213-L266 HydrophobicContact CD2-CD1 3.99Å; L213-L266 HydrophobicContact CD2-CD2 4.2Å; L213-L266 HydrophobicContact CD2-CG 4.17Å; L213-L266 WeakPolarHBondContact O-CD2 3.5Å
214	H	95.8	Very high	94.2	Very high	14 Å²	14	12.6 Å²	12.6	7%	0.065	7%	0.065	C	C	.	.	H	α-helix	trans	-64.2	-40.8	173.5	177.9	69.8	0	0	0	112.4	G210 H211 L212 V216 N217 A218 H265 S346 L349	G210-H214 VanDerWaalsContact O-CB 3.27Å; G210-H214 WeakPolarHBondContact O-CB 3.45Å; G210-H214 PolarHBondContact O-N 3.43Å; H211-H214 PolarHBondContact O-N 3.23Å; L212-H214 VanDerWaalsContact C-N 3.35Å; L212-H214 PolarHBondContact O-N 2.95Å; H214-V216 VanDerWaalsContact C-N 3.3Å; H214-V216 PolarHBondContact O-N 2.87Å; H214-N217 PolarHBondContact O-N 3.34Å; H214-A218 WeakPolarHBondContact O-CB 3.37Å; H214-A218 PolarHBondContact O-N 2.69Å; H214-H265 HydrophobicContact CB-CB 4.44Å; H214-S346 PolarHBondContact NE2-O 3.24Å; H214-S346 VanDerWaalsContact NE2-O 3.14Å; H214-L349 HydrophobicContact CB-CD1 4Å; H214-L349 HydrophobicContact CB-CD2 3.98Å; H214-L349 HydrophobicContact CB-CG 4.39Å
215	M	95.1	Very high	94	Very high	13 Å²	13	12.5 Å²	12.5	6%	0.064	7%	0.065	C	C	.	.	H	α-helix	trans	-64.5	-33.4	175.9	-71.9	-176.9	-66.6	0	0	112.5	V156 Q160 I163 H211 L212 F219	V156-M215 HydrophobicContact CG1-CE 4.03Å; V156-M215 HydrophobicContact CG1-SD 4.15Å; Q160-M215 HydrophobicContact CB-CE 4.48Å; Q160-M215 HydrophobicContact CB-SD 3.48Å; Q160-M215 WeakPolarHBondContact CB-SD 3.49Å; Q160-M215 HydrophobicContact CG-SD 3.54Å; Q160-M215 VanDerWaalsContact CG-SD 3.54Å; I163-M215 HydrophobicContact CG2-CB 3.95Å; I163-M215 HydrophobicContact CG2-CE 4.16Å; I163-M215 HydrophobicContact CG2-SD 4.35Å; H211-M215 WeakPolarHBondContact O-CE 3.31Å; H211-M215 WeakPolarHBondContact O-CG 3.28Å; H211-M215 PolarHBondContact O-N 3.46Å; L212-M215 HydrophobicContact CD2-CE 3.8Å; L212-M215 HydrophobicContact CG-CE 4.4Å; L212-M215 PolarHBondContact O-N 2.98Å; M215-F219 VanDerWaalsContact O-CB 3.28Å; M215-F219 WeakPolarHBondContact O-CB 3.17Å; M215-F219 PolarHBondContact O-N 3.07Å
216	V	96.1	Very high	93.6	Very high	5 Å²	5	13.5 Å²	13.5	3%	0.03	7%	0.072	C	C	.	.	H	α-helix	trans	-65.1	-49	169.8	175.5	0	0	0	0	110.5	I163 L170 V184 L212 L213 H214 F219 V220 L266	I163-V216 HydrophobicContact CD1-CG2 3.66Å; I163-V216 HydrophobicContact CG1-CG2 3.75Å; L170-V216 HydrophobicContact CD1-CG1 3.73Å; V184-V216 HydrophobicContact CG1-CG2 3.89Å; L212-V216 PolarHBondContact O-N 2.8Å; L212-V216 VanDerWaalsContact O-N 3.08Å; L213-V216 PolarHBondContact O-N 3.43Å; H214-V216 VanDerWaalsContact C-N 3.3Å; H214-V216 PolarHBondContact O-N 2.87Å; V216-F219 PolarHBondContact O-N 2.89Å; V216-V220 HydrophobicContact CG1-CG2 4.21Å; V216-V220 WeakPolarHBondContact O-CB 3.36Å; V216-V220 VanDerWaalsContact O-CG2 3.31Å; V216-V220 WeakPolarHBondContact O-CG2 3.47Å; V216-V220 PolarHBondContact O-N 3.35Å; V216-L266 HydrophobicContact CB-CD2 4.27Å; V216-L266 HydrophobicContact CG1-CD2 4.21Å
217	N	95.4	Very high	92.3	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-59.8	-50.8	178.5	175.9	99.7	0	0	0	112.1	L213 H214 F219 V220 F221 H265 L266 R268 S269	L213-N217 PolarHBondContact O-N 3.29Å; H214-N217 PolarHBondContact O-N 3.34Å; N217-F219 PolarHBondContact O-N 3.03Å; N217-V220 PolarHBondContact O-N 3.4Å; N217-F221 WeakPolarHBondContact O-CB 3.3Å; N217-F221 PolarHBondContact O-N 3.5Å; N217-H265 WeakPolarHBondContact CB-O 3.33Å; N217-H265 PolarHBondContact OD1-O 3.14Å; N217-L266 HydrophobicContact CB-CD2 4.29Å; N217-R268 PolarHBondContact OD1-N 3.46Å; N217-S269 WeakPolarHBondContact CA-OG 3.37Å; N217-S269 PolarHBondContact O-OG 2.91Å; N217-S269 PolarHBondContact OD1-N 3.49Å; N217-S269 PolarHBondContact OD1-OG 3.03Å
218	A	93.9	Very high	90.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.8	-45.2	179.5	0	0	0	0	0	111.1	H214 N222 S346	H214-A218 WeakPolarHBondContact O-CB 3.37Å; H214-A218 PolarHBondContact O-N 2.69Å; A218-N222 WeakPolarHBondContact O-CB 3.42Å; A218-N222 PolarHBondContact O-N 3.03Å; A218-N222 PolarHBondContact O-OD1 2.87Å; A218-S346 WeakPolarHBondContact CB-O 3.05Å
219	F	93.4	Very high	88.4	Confident	29 Å²	29	26.7 Å²	26.7	13%	0.127	15%	0.147	C	C	.	.	H	α-helix	trans	-63.5	-51.7	176.6	175.1	-96.7	0	0	0	112.8	R164 A167 R168 L171 M215 V216 N217 S223	R164-F219 HydrophobicContact CG-CD2 3.72Å; R164-F219 HydrophobicContact CG-CE2 4.15Å; R164-F219 HydrophobicContact CG-CG 4.32Å; A167-F219 HydrophobicContact CB-CD1 3.51Å; A167-F219 HydrophobicContact CB-CE1 4.15Å; A167-F219 HydrophobicContact CB-CG 4.3Å; A167-F219 WeakPolarHBondContact O-CE1 3.45Å; R168-F219 HydrophobicContact CB-CZ 4.5Å; R168-F219 HydrophobicContact CG-CE1 3.97Å; R168-F219 HydrophobicContact CG-CE2 4.43Å; R168-F219 HydrophobicContact CG-CZ 3.58Å; L171-F219 HydrophobicContact CD1-CE1 3.85Å; L171-F219 HydrophobicContact CD1-CZ 4.21Å; M215-F219 VanDerWaalsContact O-CB 3.28Å; M215-F219 WeakPolarHBondContact O-CB 3.17Å; M215-F219 PolarHBondContact O-N 3.07Å; V216-F219 PolarHBondContact O-N 2.89Å; N217-F219 PolarHBondContact O-N 3.03Å; F219-S223 WeakPolarHBondContact CE2-OG 3.48Å; F219-S223 WeakPolarHBondContact CZ-OG 3.31Å; F219-S223 VanDerWaalsContact O-CB 3.3Å; F219-S223 WeakPolarHBondContact O-CB 3.38Å; F219-S223 PolarHBondContact O-N 2.93Å; F219-S223 VanDerWaalsContact O-N 3.07Å; F219-S223 PolarHBondContact O-OG 2.89Å
220	V	93.9	Very high	86.6	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-63	-46.5	-178.3	170	0	0	0	0	110.2	L170 L171 V216 N217 S223 L224 L242	L170-V220 HydrophobicContact CB-CG2 4.29Å; L170-V220 HydrophobicContact CD1-CG2 3.71Å; L171-V220 HydrophobicContact CD2-CG1 4.19Å; V216-V220 HydrophobicContact CG1-CG2 4.21Å; V216-V220 WeakPolarHBondContact O-CB 3.36Å; V216-V220 VanDerWaalsContact O-CG2 3.31Å; V216-V220 WeakPolarHBondContact O-CG2 3.47Å; V216-V220 PolarHBondContact O-N 3.35Å; N217-V220 PolarHBondContact O-N 3.4Å; V220-S223 PolarHBondContact O-N 3.28Å; V220-L224 WeakPolarHBondContact O-CG 3.24Å; V220-L224 PolarHBondContact O-N 2.76Å; V220-L242 HydrophobicContact CG1-CD2 4.02Å
221	F	94.5	Very high	84.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.2	-49.1	-178.8	-168.6	-84.6	0	0	0	112.2	N217 S223 L224 V225 R268 A272 L293 Q297 I301 E345	N217-F221 WeakPolarHBondContact O-CB 3.3Å; N217-F221 PolarHBondContact O-N 3.5Å; F221-S223 PolarHBondContact O-N 3.28Å; F221-L224 WeakPolarHBondContact O-CB 3.3Å; F221-L224 PolarHBondContact O-N 2.92Å; F221-V225 HydrophobicContact CD1-CG2 4.16Å; F221-V225 HydrophobicContact CE1-CG1 4Å; F221-V225 HydrophobicContact CE1-CG2 4Å; F221-V225 HydrophobicContact CZ-CG1 4.29Å; F221-V225 PolarHBondContact O-N 3.08Å; F221-R268 HydrophobicContact CD2-CB 3.94Å; F221-R268 HydrophobicContact CE2-CB 4.16Å; F221-A272 HydrophobicContact CD2-CB 4.11Å; F221-A272 HydrophobicContact CE2-CB 3.95Å; F221-L293 HydrophobicContact CE2-CD2 3.66Å; F221-L293 HydrophobicContact CZ-CD2 4.12Å; F221-Q297 HydrophobicContact CE1-CG 3.79Å; F221-Q297 HydrophobicContact CZ-CB 3.96Å; F221-Q297 VanDerWaalsContact CZ-CD 3.43Å; F221-Q297 HydrophobicContact CZ-CG 3.62Å; F221-I301 HydrophobicContact CE2-CD1 4.29Å; F221-I301 HydrophobicContact CZ-CD1 4.31Å; F221-E345 HydrophobicContact CB-CG 4.48Å; F221-E345 HydrophobicContact CD1-CG 3.74Å; F221-E345 HydrophobicContact CE1-CG 4.27Å; F221-E345 HydrophobicContact CG-CG 4.15Å
222	N	93.6	Very high	83.2	Confident	26 Å²	26	34.4 Å²	34.4	14%	0.139	21%	0.206	C	C	.	.	H	α-helix	trans	-65.5	-26.8	-179.3	-65.4	-3	0	0	0	111.7	A218 L224 V225 S226 E344 E345	A218-N222 WeakPolarHBondContact O-CB 3.42Å; A218-N222 PolarHBondContact O-N 3.03Å; A218-N222 PolarHBondContact O-OD1 2.87Å; N222-L224 VanDerWaalsContact C-N 3.34Å; N222-V225 CarbonylContact O-C 3.59Å; N222-V225 PolarHBondContact O-N 2.85Å; N222-S226 WeakPolarHBondContact O-CA 3.36Å; N222-S226 VanDerWaalsContact O-CB 3.24Å; N222-S226 WeakPolarHBondContact O-CB 3.5Å; N222-S226 PolarHBondContact O-N 3.48Å; N222-E344 HydrophobicContact CB-CG 4.44Å; N222-E345 PolarHBondContact ND2-O 2.85Å; N222-E345 PolarHBondContact OD1-N 3.39Å
223	S	91.9	Very high	82.5	Confident	17 Å²	17	40 Å²	40	12%	0.119	23%	0.232	C	C	.	.	H	α-helix	trans	-70.7	-25.8	172.1	-58.6	0	0	0	0	113.7	L171 F219 V220 F221	L171-S223 VanDerWaalsContact CD1-CB 3.41Å; F219-S223 WeakPolarHBondContact CE2-OG 3.48Å; F219-S223 WeakPolarHBondContact CZ-OG 3.31Å; F219-S223 VanDerWaalsContact O-CB 3.3Å; F219-S223 WeakPolarHBondContact O-CB 3.38Å; F219-S223 PolarHBondContact O-N 2.93Å; F219-S223 VanDerWaalsContact O-N 3.07Å; F219-S223 PolarHBondContact O-OG 2.89Å; V220-S223 PolarHBondContact O-N 3.28Å; F221-S223 PolarHBondContact O-N 3.28Å
224	L	91.4	Very high	82.3	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-81.7	-20.2	174.1	-64.6	170.2	0	0	0	113.1	L171 V220 F221 N222 L234 L238 L242 A272 L276	L171-L224 HydrophobicContact CD2-CD2 4.02Å; L171-L224 HydrophobicContact CD2-CG 4.3Å; V220-L224 WeakPolarHBondContact O-CG 3.24Å; V220-L224 PolarHBondContact O-N 2.76Å; F221-L224 WeakPolarHBondContact O-CB 3.3Å; F221-L224 PolarHBondContact O-N 2.92Å; N222-L224 VanDerWaalsContact C-N 3.34Å; L224-L234 HydrophobicContact CB-CD2 4.28Å; L224-L234 HydrophobicContact CD2-CD2 3.64Å; L224-L238 HydrophobicContact CD2-CD2 3.67Å; L224-L242 HydrophobicContact CD1-CD1 4.02Å; L224-L242 HydrophobicContact CD2-CD1 4.12Å; L224-A272 HydrophobicContact CD1-CB 4.02Å; L224-L276 HydrophobicContact CD2-CD1 4.31Å
225	V	90.4	Very high	82.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-114.6	15.7	178.3	-57.7	0	0	0	0	113.8	F221 N222 V227 I301 L343 E344	F221-V225 HydrophobicContact CD1-CG2 4.16Å; F221-V225 HydrophobicContact CE1-CG1 4Å; F221-V225 HydrophobicContact CE1-CG2 4Å; F221-V225 HydrophobicContact CZ-CG1 4.29Å; F221-V225 PolarHBondContact O-N 3.08Å; N222-V225 CarbonylContact O-C 3.59Å; N222-V225 PolarHBondContact O-N 2.85Å; V225-V227 PolarHBondContact O-N 2.69Å; V225-I301 HydrophobicContact CG1-CD1 4.26Å; V225-I301 HydrophobicContact CG1-CG1 3.98Å; V225-L343 HydrophobicContact CB-CD1 3.86Å; V225-L343 HydrophobicContact CB-CD2 4.35Å; V225-L343 HydrophobicContact CB-CG 3.89Å; V225-L343 HydrophobicContact CG1-CD1 4.09Å; V225-L343 HydrophobicContact CG2-CD1 4.34Å; V225-L343 HydrophobicContact CG2-CG 4Å; V225-E344 HydrophobicContact CG2-CG 4.25Å
226	S	84.4	Confident	81.9	Confident	33 Å²	33	40 Å²	40	23%	0.231	23%	0.233	C	C	.	.			trans	-77.4	102.2	-178.1	163.5	0	0	0	0	111.5	N222 N228 L229	N222-S226 WeakPolarHBondContact O-CA 3.36Å; N222-S226 VanDerWaalsContact O-CB 3.24Å; N222-S226 WeakPolarHBondContact O-CB 3.5Å; N222-S226 PolarHBondContact O-N 3.48Å; S226-N228 VanDerWaalsContact C-N 3.26Å; S226-N228 PolarHBondContact O-N 3.15Å; S226-L229 WeakPolarHBondContact CB-O 3.32Å; S226-L229 CarbonylContact O-C 3.51Å; S226-L229 PolarHBondContact OG-N 2.78Å; S226-L229 PolarHBondContact OG-O 2.81Å
227	V	64.6	Low	81.7	Confident	101 Å²	101	45.5 Å²	45.5	61%	0.612	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.9	179.5	-169.4	0	0	0	0	113.1	V225 L343	V225-V227 PolarHBondContact O-N 2.69Å; V227-L343 HydrophobicContact CG2-CD2 4.15Å
228	N	54.8	Low	81.6	Confident	152 Å²	152	45.3 Å²	45.3	81%	0.813	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-24.5	-169.3	-63.2	-60.8	0	0	0	113.8	S226	S226-N228 VanDerWaalsContact C-N 3.26Å; S226-N228 PolarHBondContact O-N 3.15Å
229	L	51.8	Low	81.6	Confident	132 Å²	132	45.3 Å²	45.3	69%	0.691	25%	0.252	S	S	*	.			trans	-156.7	102.9	179.7	-89	165.8	0	0	0	106.5	S226 A231	S226-L229 WeakPolarHBondContact CB-O 3.32Å; S226-L229 CarbonylContact O-C 3.51Å; S226-L229 PolarHBondContact OG-N 2.78Å; S226-L229 PolarHBondContact OG-O 2.81Å; L229-A231 PolarHBondContact O-N 2.75Å; L229-A231 VanDerWaalsContact O-N 3.14Å
230	P	57.2	Low	81.7	Confident	103 Å²	103	48.9 Å²	48.9	67%	0.669	27%	0.268	S	S	*	.			trans	-67.4	110.4	168.2	27.1	-31.7	0	0	0	108	A232	P230-A232 PolarHBondContact O-N 3.5Å
231	A	54.6	Low	81.7	Confident	63 Å²	63	49.8 Å²	49.8	52%	0.521	27%	0.274	S	S	.	.	S	Bend	trans	-70.9	-19	-174.6	0	0	0	0	0	113.1	L171 L229	L171-A231 HydrophobicContact CD1-CB 4.3Å; L229-A231 PolarHBondContact O-N 2.75Å; L229-A231 VanDerWaalsContact O-N 3.14Å
232	A	63.6	Low	81.8	Confident	21 Å²	21	49.8 Å²	49.8	17%	0.174	27%	0.274	C	S	.	.	S	Bend	trans	-150.9	154.4	170.9	0	0	0	0	0	108.9	P230 L238	P230-A232 PolarHBondContact O-N 3.5Å; A232-L238 HydrophobicContact CB-CD1 4.07Å; A232-L238 HydrophobicContact CB-CD2 3.63Å; A232-L238 HydrophobicContact CB-CG 4.48Å
233	Q	81	Confident	81.9	Confident	119 Å²	119	51.7 Å²	51.7	56%	0.556	28%	0.282	S	S	*	.			trans	-69	132.3	171.6	-66.8	179.7	-90.2	0	0	109.6	N235 L238 E306	Q233-N235 VanDerWaalsContact C-N 3.26Å; Q233-N235 PolarHBondContact O-N 2.99Å; Q233-L238 VanDerWaalsContact O-CD2 3.28Å; Q233-L238 WeakPolarHBondContact O-CD2 3.18Å; Q233-E306 WeakPolarHBondContact CB-OE2 3.36Å; Q233-E306 WeakPolarHBondContact CG-OE2 3.14Å; Q233-E306 PolarHBondContact NE2-OE2 3.39Å
234	L	90.2	Very high	82.1	Confident	14 Å²	14	58.3 Å²	58.3	7%	0.073	31%	0.305	C	S	.	.			trans	-81.2	70.9	-175	-62.5	-176.8	0	0	0	111	L224 L238 L276 G304 F305 E306	L224-L234 HydrophobicContact CB-CD2 4.28Å; L224-L234 HydrophobicContact CD2-CD2 3.64Å; L234-L238 HydrophobicContact CD2-CD2 4.2Å; L234-L276 HydrophobicContact CB-CD2 3.99Å; L234-L276 HydrophobicContact CD2-CD1 4.36Å; L234-G304 WeakPolarHBondContact CB-O 3.23Å; L234-F305 WeakPolarHBondContact O-CA 3.49Å; L234-F305 WeakPolarHBondContact O-CD2 3.37Å; L234-F305 WeakPolarHBondContact O-CE2 3.47Å; L234-E306 PolarHBondContact O-N 2.81Å
235	N	91.3	Very high	82.4	Confident	8 Å²	8	58 Å²	58	4%	0.043	30%	0.304	C	S	.	.			trans	-109.4	169.2	177.9	67.2	6.2	0	0	0	113	Q233 R237 L238 G239 E306 D308	Q233-N235 VanDerWaalsContact C-N 3.26Å; Q233-N235 PolarHBondContact O-N 2.99Å; N235-R237 PolarHBondContact O-N 3.14Å; N235-L238 PolarHBondContact O-N 2.94Å; N235-L238 WeakPolarHBondContact OD1-CB 3.28Å; N235-L238 PolarHBondContact OD1-N 3.38Å; N235-G239 PolarHBondContact O-N 2.97Å; N235-G239 VanDerWaalsContact O-N 3.14Å; N235-E306 WeakPolarHBondContact CA-O 3.25Å; N235-E306 WeakPolarHBondContact CB-O 3.43Å; N235-D308 PolarHBondContact ND2-OD1 3.44Å; N235-D308 PolarHBondContact ND2-OD2 2.97Å
236	T	92.5	Very high	82.7	Confident	4 Å²	4	58.4 Å²	58.4	3%	0.025	31%	0.306	C	S	.	.	H	α-helix	trans	-66.7	-26.4	179.7	-76	0	0	0	0	112.3	G239 K240 L276 K280 F305 E311	T236-G239 PolarHBondContact O-N 3.03Å; T236-K240 HydrophobicContact CG2-CD 3.94Å; T236-K240 HydrophobicContact CG2-CG 4.46Å; T236-K240 VanDerWaalsContact CG2-NZ 3.26Å; T236-K240 WeakPolarHBondContact O-CG 3.46Å; T236-K240 PolarHBondContact O-N 3.05Å; T236-L276 PolarHBondContact OG1-O 3.49Å; T236-K280 PolarHBondContact OG1-NZ 2.69Å; T236-K280 VanDerWaalsContact OG1-NZ 3.11Å; T236-F305 WeakPolarHBondContact OG1-CZ 3.4Å; T236-E311 VanDerWaalsContact CB-OE1 3.22Å; T236-E311 WeakPolarHBondContact CB-OE1 3.26Å; T236-E311 WeakPolarHBondContact CB-OE2 3.42Å; T236-E311 PolarHBondContact OG1-OE1 3.49Å; T236-E311 PolarHBondContact OG1-OE2 2.87Å
237	R	91.6	Very high	83.3	Confident	122 Å²	122	59.8 Å²	59.8	46%	0.46	31%	0.308	S	S	.	.	H	α-helix	trans	-60.5	-50.7	170.4	177.9	177.4	173.8	158.9	-1.9	111.7	I173 N235 G239 K240 C241	I173-R237 PolarHBondContact O-NE 3.27Å; I173-R237 PolarHBondContact O-NH2 2.85Å; N235-R237 PolarHBondContact O-N 3.14Å; R237-G239 VanDerWaalsContact C-N 3.32Å; R237-G239 PolarHBondContact O-N 3.44Å; R237-K240 PolarHBondContact O-N 3.21Å; R237-C241 PolarHBondContact O-N 3.36Å
238	L	93	Very high	84.8	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57.6	-45.1	175.4	176.5	64.7	0	0	0	111.3	L171 I173 L224 A232 Q233 L234 N235 K240 C241 L242 L276	L171-L238 WeakPolarHBondContact O-CD1 3.46Å; I173-L238 HydrophobicContact CG2-CB 3.95Å; I173-L238 HydrophobicContact CG2-CD1 3.86Å; I173-L238 HydrophobicContact CG2-CG 4.5Å; L224-L238 HydrophobicContact CD2-CD2 3.67Å; A232-L238 HydrophobicContact CB-CD1 4.07Å; A232-L238 HydrophobicContact CB-CD2 3.63Å; A232-L238 HydrophobicContact CB-CG 4.48Å; Q233-L238 VanDerWaalsContact O-CD2 3.28Å; Q233-L238 WeakPolarHBondContact O-CD2 3.18Å; L234-L238 HydrophobicContact CD2-CD2 4.2Å; N235-L238 PolarHBondContact O-N 2.94Å; N235-L238 WeakPolarHBondContact OD1-CB 3.28Å; N235-L238 PolarHBondContact OD1-N 3.38Å; L238-K240 PolarHBondContact O-N 2.58Å; L238-C241 PolarHBondContact O-N 2.88Å; L238-L242 HydrophobicContact CD1-CD1 3.95Å; L238-L242 HydrophobicContact CD1-CG 4.09Å; L238-L242 HydrophobicContact CG-CD1 3.95Å; L238-L242 HydrophobicContact CG-CG 4.47Å; L238-L242 WeakPolarHBondContact O-CB 3.26Å; L238-L242 WeakPolarHBondContact O-CG 3.23Å; L238-L242 PolarHBondContact O-N 2.93Å; L238-L276 HydrophobicContact CD2-CD1 4.45Å
239	G	94.4	Very high	86.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-54.5	-50.5	175.7	0	0	0	0	0	112.8	N235 T236 R237 L242 Q243	N235-G239 PolarHBondContact O-N 2.97Å; N235-G239 VanDerWaalsContact O-N 3.14Å; T236-G239 PolarHBondContact O-N 3.03Å; R237-G239 VanDerWaalsContact C-N 3.32Å; R237-G239 PolarHBondContact O-N 3.44Å; G239-L242 PolarHBondContact O-N 2.87Å; G239-Q243 WeakPolarHBondContact O-CG 3.21Å; G239-Q243 PolarHBondContact O-N 3.34Å
240	K	94.1	Very high	88.9	Confident	104 Å²	104	44.6 Å²	44.6	45%	0.452	23%	0.227	S	C	.	.	H	α-helix	trans	-64.3	-43.4	178.9	-72.4	165.8	-179	164.4	0	112.7	T236 R237 L238 Q243 Y244 A277	T236-K240 HydrophobicContact CG2-CD 3.94Å; T236-K240 HydrophobicContact CG2-CG 4.46Å; T236-K240 VanDerWaalsContact CG2-NZ 3.26Å; T236-K240 WeakPolarHBondContact O-CG 3.46Å; T236-K240 PolarHBondContact O-N 3.05Å; R237-K240 PolarHBondContact O-N 3.21Å; L238-K240 PolarHBondContact O-N 2.58Å; K240-Q243 WeakPolarHBondContact O-CB 3.24Å; K240-Q243 PolarHBondContact O-N 3.4Å; K240-Y244 WeakPolarHBondContact O-CD2 3.24Å; K240-Y244 PolarHBondContact O-N 3.38Å; K240-A277 HydrophobicContact CG-CB 4Å
241	C	95.1	Very high	90.7	Very high	21 Å²	21	46 Å²	46	14%	0.142	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-47.6	174.4	-75	0	0	0	0	111.2	R237 L238 Q243 Y244 R245	R237-C241 PolarHBondContact O-N 3.36Å; L238-C241 PolarHBondContact O-N 2.88Å; C241-Q243 VanDerWaalsContact C-N 3.33Å; C241-Q243 PolarHBondContact O-N 3.17Å; C241-Y244 PolarHBondContact O-N 2.85Å; C241-R245 WeakPolarHBondContact O-CB 3.41Å; C241-R245 VanDerWaalsContact O-CD 3.31Å; C241-R245 WeakPolarHBondContact O-CD 3.24Å; C241-R245 WeakPolarHBondContact O-CG 3.33Å; C241-R245 PolarHBondContact O-N 3.08Å
242	L	96.4	Very high	92.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-36.6	177.1	-74.6	172.6	0	0	0	112.8	L170 L171 V220 L224 L238 G239 R245 I246 A273	L170-L242 HydrophobicContact CB-CD2 4.4Å; L170-L242 VanDerWaalsContact O-CD2 3.27Å; L170-L242 WeakPolarHBondContact O-CD2 3.35Å; L171-L242 HydrophobicContact CD2-CD1 4.37Å; L171-L242 HydrophobicContact CD2-CD2 4.36Å; V220-L242 HydrophobicContact CG1-CD2 4.02Å; L224-L242 HydrophobicContact CD1-CD1 4.02Å; L224-L242 HydrophobicContact CD2-CD1 4.12Å; L238-L242 HydrophobicContact CD1-CD1 3.95Å; L238-L242 HydrophobicContact CD1-CG 4.09Å; L238-L242 HydrophobicContact CG-CD1 3.95Å; L238-L242 HydrophobicContact CG-CG 4.47Å; L238-L242 WeakPolarHBondContact O-CB 3.26Å; L238-L242 WeakPolarHBondContact O-CG 3.23Å; L238-L242 PolarHBondContact O-N 2.93Å; G239-L242 PolarHBondContact O-N 2.87Å; L242-R245 PolarHBondContact O-N 3.18Å; L242-I246 HydrophobicContact CB-CD1 4.37Å; L242-I246 VanDerWaalsContact O-CB 3.26Å; L242-I246 WeakPolarHBondContact O-CB 3.28Å; L242-I246 WeakPolarHBondContact O-CD1 3.16Å; L242-I246 WeakPolarHBondContact O-CG1 3.5Å; L242-I246 PolarHBondContact O-N 3.26Å; L242-A273 HydrophobicContact CB-CB 3.58Å
243	Q	95.6	Very high	94.2	Very high	65 Å²	65	42.9 Å²	42.9	30%	0.304	19%	0.19	S	C	.	.	H	α-helix	trans	-56.4	-54.9	172.6	-75.5	177.5	-43.5	0	0	111.4	G239 K240 C241 R245 E247 A273 N274 A277	G239-Q243 WeakPolarHBondContact O-CG 3.21Å; G239-Q243 PolarHBondContact O-N 3.34Å; K240-Q243 WeakPolarHBondContact O-CB 3.24Å; K240-Q243 PolarHBondContact O-N 3.4Å; C241-Q243 VanDerWaalsContact C-N 3.33Å; C241-Q243 PolarHBondContact O-N 3.17Å; Q243-R245 PolarHBondContact O-N 3.08Å; Q243-E247 WeakPolarHBondContact O-CB 3.1Å; Q243-E247 PolarHBondContact O-N 3.21Å; Q243-A273 HydrophobicContact CG-CB 4.03Å; Q243-N274 PolarHBondContact NE2-OD1 3.32Å; Q243-A277 HydrophobicContact CG-CB 4.41Å; Q243-A277 VanDerWaalsContact OE1-CB 3.24Å
244	Y	96.1	Very high	94.7	Very high	157 Å²	157	41.5 Å²	41.5	62%	0.616	18%	0.183	S	C	*	.	H	α-helix	trans	-64.2	-37.8	-179.7	-68	-61.8	0	0	0	112.9	K240 C241 S248	K240-Y244 WeakPolarHBondContact O-CD2 3.24Å; K240-Y244 PolarHBondContact O-N 3.38Å; C241-Y244 PolarHBondContact O-N 2.85Å; Y244-S248 WeakPolarHBondContact O-CB 3.44Å; Y244-S248 PolarHBondContact O-N 3.38Å
245	R	97.4	Very high	94.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-71.2	-44.6	-178.5	-67.4	165.3	-170.5	-161.7	-6.2	112.7	A169 L170 D172 L175 D177 A180 T181 C241 L242 Q243 E247 S248 I249	A169-R245 PolarHBondContact O-NH1 3.2Å; L170-R245 HydrophobicContact CD2-CB 4.07Å; L170-R245 WeakPolarHBondContact O-CD 3.28Å; L170-R245 PolarHBondContact O-NH1 3.15Å; D172-R245 VanDerWaalsContact O-CZ 3.29Å; D172-R245 PolarHBondContact O-NH1 3.49Å; D172-R245 PolarHBondContact O-NH2 3.44Å; L175-R245 PolarHBondContact O-NH2 3.37Å; D177-R245 HydrophobicContact CB-CG 3.94Å; D177-R245 IonicContact OD1-CZ 3.52Å; D177-R245 IonicContact OD1-NE 3.45Å; D177-R245 PolarHBondContact OD1-NE 3.16Å; D177-R245 IonicContact OD1-NH2 2.69Å; D177-R245 PolarHBondContact OD1-NH2 3.38Å; A180-R245 HydrophobicContact CB-CG 4.35Å; A180-R245 VanDerWaalsContact CB-CZ 3.44Å; T181-R245 HydrophobicContact CG2-CB 3.58Å; T181-R245 HydrophobicContact CG2-CG 3.88Å; T181-R245 WeakPolarHBondContact CG2-O 3.24Å; C241-R245 WeakPolarHBondContact O-CB 3.41Å; C241-R245 VanDerWaalsContact O-CD 3.31Å; C241-R245 WeakPolarHBondContact O-CD 3.24Å; C241-R245 WeakPolarHBondContact O-CG 3.33Å; C241-R245 PolarHBondContact O-N 3.08Å; L242-R245 PolarHBondContact O-N 3.18Å; Q243-R245 PolarHBondContact O-N 3.08Å; R245-E247 VanDerWaalsContact C-N 3.32Å; R245-S248 WeakPolarHBondContact O-CB 3.29Å; R245-S248 PolarHBondContact O-N 2.89Å; R245-I249 WeakPolarHBondContact O-CG1 3.43Å; R245-I249 PolarHBondContact O-N 2.76Å; R245-I249 VanDerWaalsContact O-N 3.15Å
246	I	97.3	Very high	94.5	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-65.7	-38.6	175.9	-68.2	169.2	0	0	0	110.4	L242 I249 H250 L266 R270 A273	L242-I246 HydrophobicContact CB-CD1 4.37Å; L242-I246 VanDerWaalsContact O-CB 3.26Å; L242-I246 WeakPolarHBondContact O-CB 3.28Å; L242-I246 WeakPolarHBondContact O-CD1 3.16Å; L242-I246 WeakPolarHBondContact O-CG1 3.5Å; L242-I246 PolarHBondContact O-N 3.26Å; I246-I249 PolarHBondContact O-N 2.92Å; I246-H250 PolarHBondContact O-N 3.28Å; I246-L266 HydrophobicContact CG2-CB 4.21Å; I246-L266 HydrophobicContact CG2-CD1 4.21Å; I246-R270 HydrophobicContact CG2-CB 4.24Å; I246-A273 HydrophobicContact CD1-CB 4.39Å
247	E	95.9	Very high	94.3	Very high	61 Å²	61	52.9 Å²	52.9	29%	0.285	24%	0.242	S	C	.	.	H	α-helix	trans	-67	-36.2	174.8	178.4	65.8	-178.2	0	0	112.7	Q243 R245 H250 R251	Q243-E247 WeakPolarHBondContact O-CB 3.1Å; Q243-E247 PolarHBondContact O-N 3.21Å; R245-E247 VanDerWaalsContact C-N 3.32Å; E247-H250 WeakPolarHBondContact O-CB 3.5Å; E247-H250 PolarHBondContact O-N 3.11Å; E247-R251 WeakPolarHBondContact O-CG 3.35Å; E247-R251 PolarHBondContact O-N 2.84Å; E247-R251 IonicContact OE1-CZ 2.71Å; E247-R251 IonicContact OE1-NE 2.72Å; E247-R251 PolarHBondContact OE1-NE 3.44Å; E247-R251 IonicContact OE1-NH2 3.34Å; E247-R251 PolarHBondContact OE1-NH2 3.32Å
248	S	96.9	Very high	94	Very high	42 Å²	42	47.8 Å²	47.8	29%	0.294	22%	0.224	S	C	.	.	H	α-helix	trans	-60.3	-44.6	171.8	-174.7	0	0	0	0	111.7	Y244 R245 H250 R251 F252	Y244-S248 WeakPolarHBondContact O-CB 3.44Å; Y244-S248 PolarHBondContact O-N 3.38Å; R245-S248 WeakPolarHBondContact O-CB 3.29Å; R245-S248 PolarHBondContact O-N 2.89Å; S248-H250 VanDerWaalsContact C-N 3.35Å; S248-R251 PolarHBondContact O-N 3.05Å; S248-F252 PolarHBondContact O-N 3.4Å
249	I	97.6	Very high	93.8	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-39.8	174.1	-63.2	165.5	0	0	0	110.6	L170 T181 V184 I185 L188 L213 R245 I246 F252 C253 L266	L170-I249 HydrophobicContact CD1-CD1 4.15Å; L170-I249 HydrophobicContact CD2-CD1 3.92Å; T181-I249 HydrophobicContact CG2-CD1 4.47Å; T181-I249 HydrophobicContact CG2-CG1 4.33Å; V184-I249 HydrophobicContact CG1-CD1 3.98Å; V184-I249 HydrophobicContact CG1-CG1 4.49Å; I185-I249 HydrophobicContact CD1-CG1 4.42Å; I185-I249 HydrophobicContact CG1-CG1 4.14Å; L188-I249 HydrophobicContact CD1-CG2 4.11Å; L213-I249 HydrophobicContact CD2-CG2 3.99Å; R245-I249 WeakPolarHBondContact O-CG1 3.43Å; R245-I249 PolarHBondContact O-N 2.76Å; R245-I249 VanDerWaalsContact O-N 3.15Å; I246-I249 PolarHBondContact O-N 2.92Å; I249-F252 WeakPolarHBondContact O-CB 3.5Å; I249-F252 PolarHBondContact O-N 3.46Å; I249-C253 PolarHBondContact O-N 3.42Å; I249-L266 HydrophobicContact CB-CD1 4.43Å; I249-L266 HydrophobicContact CG2-CD1 3.92Å
250	H	95.6	Very high	93.5	Very high	23 Å²	23	56.8 Å²	56.8	11%	0.106	27%	0.268	C	S	.	.	H	α-helix	trans	-59.5	-49.8	175.8	-164.3	-94	0	0	0	112.1	I246 E247 S248 F252 C253 E254 E263 R270	I246-H250 PolarHBondContact O-N 3.28Å; E247-H250 WeakPolarHBondContact O-CB 3.5Å; E247-H250 PolarHBondContact O-N 3.11Å; S248-H250 VanDerWaalsContact C-N 3.35Å; H250-F252 PolarHBondContact O-N 2.95Å; H250-C253 CarbonylContact O-C 3.54Å; H250-C253 WeakPolarHBondContact O-CA 3.38Å; H250-C253 WeakPolarHBondContact O-CB 3.19Å; H250-C253 PolarHBondContact O-N 3.15Å; H250-E254 IonicContact CE1-OE1 3.13Å; H250-E254 PolarHBondContact CE1-OE1 3.48Å; H250-E254 IonicContact ND1-OE1 2.65Å; H250-E254 PolarHBondContact ND1-OE1 3.42Å; H250-E254 WeakPolarHBondContact O-CG 3.42Å; H250-E254 PolarHBondContact O-N 2.9Å; H250-E263 PolarHBondContact NE2-N 3.41Å; H250-R270 PolarHBondContact CD2-NH2 3.08Å
251	R	95.3	Very high	93.2	Very high	133 Å²	133	52.2 Å²	52.2	50%	0.502	25%	0.25	S	C	.	.	H	α-helix	trans	-67.7	-20.5	177.4	-66.1	172.4	-169.3	166.1	3.8	113.8	E247 S248 E254 R255	E247-R251 WeakPolarHBondContact O-CG 3.35Å; E247-R251 PolarHBondContact O-N 2.84Å; E247-R251 IonicContact OE1-CZ 2.71Å; E247-R251 IonicContact OE1-NE 2.72Å; E247-R251 PolarHBondContact OE1-NE 3.44Å; E247-R251 IonicContact OE1-NH2 3.34Å; E247-R251 PolarHBondContact OE1-NH2 3.32Å; S248-R251 PolarHBondContact O-N 3.05Å; R251-E254 WeakPolarHBondContact CA-OE2 3.27Å; R251-R255 WeakPolarHBondContact O-CG 3.04Å; R251-R255 PolarHBondContact O-N 2.96Å; R251-R255 PolarHBondContact O-NE 3.37Å
252	F	95.6	Very high	93	Very high	17 Å²	17	51.2 Å²	51.2	8%	0.075	24%	0.243	C	C	.	.	H	α-helix	trans	-71.7	-46.5	165.7	177	-97	0	0	0	111.1	I185 L188 D189 S248 I249 H250 E254 R255 M256	I185-F252 HydrophobicContact CD1-CB 4.41Å; I185-F252 HydrophobicContact CG1-CB 4.34Å; I185-F252 HydrophobicContact CG1-CG 4.43Å; I185-F252 HydrophobicContact CG2-CB 4.41Å; I185-F252 HydrophobicContact CG2-CD1 4.39Å; I185-F252 HydrophobicContact CG2-CD2 3.6Å; I185-F252 HydrophobicContact CG2-CE2 3.97Å; I185-F252 HydrophobicContact CG2-CG 3.84Å; L188-F252 HydrophobicContact CB-CD1 4.26Å; L188-F252 HydrophobicContact CB-CE1 3.69Å; L188-F252 HydrophobicContact CD1-CD1 4.42Å; D189-F252 HydrophobicContact CB-CE2 4.07Å; D189-F252 HydrophobicContact CB-CZ 3.61Å; S248-F252 PolarHBondContact O-N 3.4Å; I249-F252 WeakPolarHBondContact O-CB 3.5Å; I249-F252 PolarHBondContact O-N 3.46Å; H250-F252 PolarHBondContact O-N 2.95Å; F252-E254 PolarHBondContact O-N 3.37Å; F252-R255 PolarHBondContact O-N 3.32Å; F252-M256 HydrophobicContact CD1-CG 4.4Å; F252-M256 HydrophobicContact CE1-CE 4.32Å; F252-M256 HydrophobicContact CE1-CG 3.85Å; F252-M256 HydrophobicContact CE2-CG 4.14Å; F252-M256 HydrophobicContact CZ-CE 3.85Å; F252-M256 HydrophobicContact CZ-CG 3.69Å; F252-M256 HydrophobicContact CZ-SD 4.08Å; F252-M256 VanDerWaalsContact O-CG 3.25Å; F252-M256 WeakPolarHBondContact O-CG 3.32Å; F252-M256 PolarHBondContact O-N 2.78Å
253	C	94.6	Very high	92.6	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.007	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-37.5	176.7	-74	0	0	0	0	113.8	I249 H250 M256 G257 V258 A262	I249-C253 PolarHBondContact O-N 3.42Å; H250-C253 CarbonylContact O-C 3.54Å; H250-C253 WeakPolarHBondContact O-CA 3.38Å; H250-C253 WeakPolarHBondContact O-CB 3.19Å; H250-C253 PolarHBondContact O-N 3.15Å; C253-M256 CarbonylContact O-C 3.54Å; C253-M256 WeakPolarHBondContact O-CA 3.18Å; C253-M256 PolarHBondContact O-N 2.9Å; C253-M256 VanDerWaalsContact O-N 3.07Å; C253-G257 PolarHBondContact O-N 2.84Å; C253-G257 VanDerWaalsContact O-N 3.12Å; C253-V258 HydrophobicContact CB-CG2 3.81Å; C253-V258 WeakPolarHBondContact O-CG2 3.19Å; C253-V258 PolarHBondContact O-N 3.38Å; C253-A262 HydrophobicContact CB-CB 3.53Å
254	E	92.1	Very high	92.3	Very high	90 Å²	90	53 Å²	53	42%	0.421	25%	0.254	S	S	.	.	H	α-helix	trans	-56.9	-50.2	171.1	-72	167.3	-179.1	0	0	112.2	H250 R251 F252 M256 G257 E259	H250-E254 IonicContact CE1-OE1 3.13Å; H250-E254 PolarHBondContact CE1-OE1 3.48Å; H250-E254 IonicContact ND1-OE1 2.65Å; H250-E254 PolarHBondContact ND1-OE1 3.42Å; H250-E254 WeakPolarHBondContact O-CG 3.42Å; H250-E254 PolarHBondContact O-N 2.9Å; R251-E254 WeakPolarHBondContact CA-OE2 3.27Å; F252-E254 PolarHBondContact O-N 3.37Å; E254-M256 PolarHBondContact O-N 2.91Å; E254-G257 PolarHBondContact O-N 2.94Å; E254-G257 VanDerWaalsContact O-N 3.12Å; E254-E259 HydrophobicContact CB-CB 4.35Å; E254-E259 HydrophobicContact CG-CB 3.65Å
255	R	92.1	Very high	92.2	Very high	190 Å²	190	46.5 Å²	46.5	72%	0.717	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.9	176.3	-71.1	-178.7	-67.8	159.4	-0.6	113.6	R251 F252	R251-R255 WeakPolarHBondContact O-CG 3.04Å; R251-R255 PolarHBondContact O-N 2.96Å; R251-R255 PolarHBondContact O-NE 3.37Å; F252-R255 PolarHBondContact O-N 3.32Å
256	M	86.2	Confident	92	Very high	24 Å²	24	46.6 Å²	46.6	12%	0.118	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-3.6	180	-67.4	-72.9	-88.1	0	0	113.6	M192 R196 F252 C253 E254 V258	M192-M256 HydrophobicContact CB-CE 3.46Å; M192-M256 VanDerWaalsContact CB-CE 3.46Å; M192-M256 HydrophobicContact CG-CE 4.15Å; R196-M256 VanDerWaalsContact NH1-CE 3.29Å; R196-M256 PolarHBondContact NH1-SD 3.36Å; R196-M256 PolarHBondContact NH2-O 3.28Å; R196-M256 PolarHBondContact NH2-SD 3.49Å; R196-M256 VanDerWaalsContact NH2-SD 3.38Å; F252-M256 HydrophobicContact CD1-CG 4.4Å; F252-M256 HydrophobicContact CE1-CE 4.32Å; F252-M256 HydrophobicContact CE1-CG 3.85Å; F252-M256 HydrophobicContact CE2-CG 4.14Å; F252-M256 HydrophobicContact CZ-CE 3.85Å; F252-M256 HydrophobicContact CZ-CG 3.69Å; F252-M256 HydrophobicContact CZ-SD 4.08Å; F252-M256 VanDerWaalsContact O-CG 3.25Å; F252-M256 WeakPolarHBondContact O-CG 3.32Å; F252-M256 PolarHBondContact O-N 2.78Å; C253-M256 CarbonylContact O-C 3.54Å; C253-M256 WeakPolarHBondContact O-CA 3.18Å; C253-M256 PolarHBondContact O-N 2.9Å; C253-M256 VanDerWaalsContact O-N 3.07Å; E254-M256 PolarHBondContact O-N 2.91Å; M256-V258 HydrophobicContact CB-CG2 4.02Å
257	G	86.6	Confident	91.7	Very high	52 Å²	52	46.7 Å²	46.7	54%	0.536	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	33.1	-178	0	0	0	0	0	114	C253 E254 E259	C253-G257 PolarHBondContact O-N 2.84Å; C253-G257 VanDerWaalsContact O-N 3.12Å; E254-G257 PolarHBondContact O-N 2.94Å; E254-G257 VanDerWaalsContact O-N 3.12Å; G257-E259 WeakPolarHBondContact CA-OE2 3.08Å
258	V	86.2	Confident	91.5	Very high	15 Å²	15	45.2 Å²	45.2	9%	0.091	22%	0.222	C	C	.	.			trans	-134.1	25	-179.1	-63.2	0	0	0	0	112.4	I206 C253 M256 M260 A261 A262	I206-V258 HydrophobicContact CG1-CG1 4.21Å; C253-V258 HydrophobicContact CB-CG2 3.81Å; C253-V258 WeakPolarHBondContact O-CG2 3.19Å; C253-V258 PolarHBondContact O-N 3.38Å; M256-V258 HydrophobicContact CB-CG2 4.02Å; V258-M260 VanDerWaalsContact C-N 3.35Å; V258-M260 PolarHBondContact O-N 2.95Å; V258-A261 WeakPolarHBondContact O-CB 3.34Å; V258-A261 PolarHBondContact O-N 3.39Å; V258-A262 PolarHBondContact O-N 2.95Å
259	E	89.8	Confident	91.4	Very high	69 Å²	69	43.3 Å²	43.3	32%	0.322	21%	0.209	S	C	.	.	H	α-helix	trans	-54.8	-42.8	179.8	62.1	-66.1	157.2	0	0	113.4	E254 G257 A261 A262 E263	E254-E259 HydrophobicContact CB-CB 4.35Å; E254-E259 HydrophobicContact CG-CB 3.65Å; G257-E259 WeakPolarHBondContact CA-OE2 3.08Å; E259-A261 PolarHBondContact O-N 3.46Å; E259-A261 VanDerWaalsContact O-N 3.17Å; E259-A262 CarbonylContact O-C 3.51Å; E259-A262 WeakPolarHBondContact O-CA 3.3Å; E259-A262 PolarHBondContact O-N 2.78Å; E259-E263 PolarHBondContact O-N 3.01Å
260	M	86.7	Confident	91.3	Very high	119 Å²	119	45.3 Å²	45.3	59%	0.586	22%	0.216	S	C	*	.	H	α-helix	trans	-61.7	-26.9	178.4	-63.7	-71.8	93.6	0	0	113	V258 C264	V258-M260 VanDerWaalsContact C-N 3.35Å; V258-M260 PolarHBondContact O-N 2.95Å; M260-C264 VanDerWaalsContact O-CB 3.24Å; M260-C264 WeakPolarHBondContact O-CB 3.43Å; M260-C264 PolarHBondContact O-N 3.12Å
261	A	87.8	Confident	91.3	Very high	9 Å²	9	44.3 Å²	44.3	7%	0.074	21%	0.212	C	C	.	.	H	α-helix	trans	-73.2	-43.5	170.9	0	0	0	0	0	110.8	L213 V258 E259 C264 H265	L213-A261 HydrophobicContact CD1-CB 3.82Å; V258-A261 WeakPolarHBondContact O-CB 3.34Å; V258-A261 PolarHBondContact O-N 3.39Å; E259-A261 PolarHBondContact O-N 3.46Å; E259-A261 VanDerWaalsContact O-N 3.17Å; A261-C264 PolarHBondContact O-N 3.48Å; A261-H265 WeakPolarHBondContact O-CB 3.47Å; A261-H265 PolarHBondContact O-CD2 3.45Å; A261-H265 PolarHBondContact O-N 3.18Å
262	A	91.1	Very high	91.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.2	-33.8	178.4	0	0	0	0	0	113.2	L213 C253 V258 E259 L266 R270	L213-A262 HydrophobicContact CD1-CB 4.17Å; L213-A262 HydrophobicContact CD2-CB 4.47Å; C253-A262 HydrophobicContact CB-CB 3.53Å; V258-A262 PolarHBondContact O-N 2.95Å; E259-A262 CarbonylContact O-C 3.51Å; E259-A262 WeakPolarHBondContact O-CA 3.3Å; E259-A262 PolarHBondContact O-N 2.78Å; A262-L266 HydrophobicContact CB-CD1 4.37Å; A262-L266 WeakPolarHBondContact O-CB 3.44Å; A262-L266 PolarHBondContact O-N 3.31Å; A262-R270 PolarHBondContact O-NH2 3.5Å
263	E	88.8	Confident	91.3	Very high	73 Å²	73	37.1 Å²	37.1	34%	0.341	18%	0.184	S	C	.	.	H	α-helix	trans	-61.4	-54.3	170.3	-171.7	-177.6	-146.4	0	0	109.5	H250 E259 D267 R270 S697	H250-E263 PolarHBondContact NE2-N 3.41Å; E259-E263 PolarHBondContact O-N 3.01Å; E263-D267 WeakPolarHBondContact O-CB 3.4Å; E263-R270 PolarHBondContact O-NH1 3.24Å; E263-S697 PolarHBondContact OE2-OG 3.12Å
264	C	89.3	Confident	91.3	Very high	30 Å²	30	39.2 Å²	39.2	20%	0.203	20%	0.195	C	C	.	.	H	α-helix	trans	-68.1	-49.9	-173.9	-174.3	0	0	0	0	114.1	M260 A261 Y694	M260-C264 VanDerWaalsContact O-CB 3.24Å; M260-C264 WeakPolarHBondContact O-CB 3.43Å; M260-C264 PolarHBondContact O-N 3.12Å; A261-C264 PolarHBondContact O-N 3.48Å; C264-Y694 VanDerWaalsContact SG-CE1 3.59Å
265	H	93	Very high	91.5	Very high	20 Å²	20	35 Å²	35	9%	0.093	18%	0.175	C	C	.	.	H	α-helix	trans	-83.8	-24.6	-168	-67	-80.6	0	0	0	114	G210 L213 H214 N217 A261 Y694	G210-H265 VanDerWaalsContact CA-CD2 3.43Å; G210-H265 WeakPolarHBondContact CA-CD2 3.44Å; G210-H265 WeakPolarHBondContact CA-NE2 3.39Å; G210-H265 PolarHBondContact O-CE1 2.9Å; G210-H265 PolarHBondContact O-ND1 2.89Å; L213-H265 HydrophobicContact CB-CB 3.77Å; H214-H265 HydrophobicContact CB-CB 4.44Å; N217-H265 WeakPolarHBondContact CB-O 3.33Å; N217-H265 PolarHBondContact OD1-O 3.14Å; A261-H265 WeakPolarHBondContact O-CB 3.47Å; A261-H265 PolarHBondContact O-CD2 3.45Å; A261-H265 PolarHBondContact O-N 3.18Å; H265-Y694 AromaticContact CE1-CE1 3.72Å; H265-Y694 AromaticContact CE1-CZ 3.82Å; H265-Y694 PolarHBondContact CE1-OH 3.5Å; H265-Y694 PolarHBondContact ND1-OH 2.89Å
266	L	94.4	Very high	91.5	Very high	2 Å²	2	26 Å²	26	1%	0.01	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	1.9	178.1	-56.9	177.4	0	0	0	113.7	L213 V216 N217 I246 I249 A262 R268 S269 R270	L213-L266 HydrophobicContact CB-CD2 4.26Å; L213-L266 HydrophobicContact CB-CG 4.49Å; L213-L266 HydrophobicContact CD2-CD1 3.99Å; L213-L266 HydrophobicContact CD2-CD2 4.2Å; L213-L266 HydrophobicContact CD2-CG 4.17Å; L213-L266 WeakPolarHBondContact O-CD2 3.5Å; V216-L266 HydrophobicContact CB-CD2 4.27Å; V216-L266 HydrophobicContact CG1-CD2 4.21Å; N217-L266 HydrophobicContact CB-CD2 4.29Å; I246-L266 HydrophobicContact CG2-CB 4.21Å; I246-L266 HydrophobicContact CG2-CD1 4.21Å; I249-L266 HydrophobicContact CB-CD1 4.43Å; I249-L266 HydrophobicContact CG2-CD1 3.92Å; A262-L266 HydrophobicContact CB-CD1 4.37Å; A262-L266 WeakPolarHBondContact O-CB 3.44Å; A262-L266 PolarHBondContact O-N 3.31Å; L266-R268 VanDerWaalsContact C-N 3.34Å; L266-R268 PolarHBondContact O-N 2.79Å; L266-S269 PolarHBondContact O-N 3.04Å; L266-R270 WeakPolarHBondContact O-CB 3.35Å; L266-R270 PolarHBondContact O-N 3.24Å
267	D	90.6	Very high	91.9	Very high	9 Å²	9	25.6 Å²	25.6	5%	0.048	14%	0.142	C	C	.	.	H	α-helix	trans	-67.1	-30.1	-164.4	-153.5	35.7	0	0	0	114.1	E263 R270 Q271 Y291 K292	E263-D267 WeakPolarHBondContact O-CB 3.4Å; D267-R270 PolarHBondContact O-N 2.96Å; D267-R270 IonicContact OD1-CZ 3.49Å; D267-R270 IonicContact OD1-NH1 2.71Å; D267-R270 PolarHBondContact OD1-NH1 3.31Å; D267-Q271 WeakPolarHBondContact O-CB 3.28Å; D267-Q271 WeakPolarHBondContact O-CG 3.49Å; D267-Q271 PolarHBondContact O-N 3.49Å; D267-Q271 PolarHBondContact OD2-NE2 3.08Å; D267-Y291 PolarHBondContact OD2-OH 3.32Å; D267-Y291 VanDerWaalsContact OD2-OH 3.11Å; D267-K292 WeakPolarHBondContact OD2-CD 3.15Å; D267-K292 WeakPolarHBondContact OD2-CE 3.44Å; D267-K292 IonicContact OD2-NZ 2.66Å; D267-K292 PolarHBondContact OD2-NZ 3.06Å
268	R	91.9	Very high	92.2	Very high	30 Å²	30	24.3 Å²	24.3	11%	0.113	12%	0.124	C	C	.	.	H	α-helix	trans	-73.5	-44	177.6	-69	-172.8	-172.1	-96.5	10.9	111.9	N217 F221 L266 R270 Q271 A272 K292 L293 E345	N217-R268 PolarHBondContact OD1-N 3.46Å; F221-R268 HydrophobicContact CD2-CB 3.94Å; F221-R268 HydrophobicContact CE2-CB 4.16Å; L266-R268 VanDerWaalsContact C-N 3.34Å; L266-R268 PolarHBondContact O-N 2.79Å; R268-R270 VanDerWaalsContact C-N 3.28Å; R268-R270 PolarHBondContact O-N 3.27Å; R268-Q271 PolarHBondContact O-N 2.8Å; R268-A272 WeakPolarHBondContact O-CB 3.33Å; R268-A272 PolarHBondContact O-N 2.68Å; R268-K292 PolarHBondContact NH1-O 3.24Å; R268-L293 HydrophobicContact CB-CD2 4.14Å; R268-L293 HydrophobicContact CG-CD2 4.31Å; R268-E345 WeakPolarHBondContact CD-OE1 3.16Å; R268-E345 WeakPolarHBondContact CD-OE2 3.41Å; R268-E345 IonicContact CZ-OE1 3.25Å; R268-E345 IonicContact CZ-OE2 3.72Å; R268-E345 IonicContact NE-OE1 3.83Å; R268-E345 PolarHBondContact NE-OE1 3.18Å; R268-E345 IonicContact NE-OE2 2.78Å; R268-E345 PolarHBondContact NE-OE2 3.42Å; R268-E345 IonicContact NH1-OE1 2.69Å; R268-E345 PolarHBondContact NH1-OE1 3.25Å; R268-E345 IonicContact NH2-OE1 3.9Å; R268-E345 IonicContact NH2-OE2 2.81Å
269	S	94.6	Very high	92.4	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.014	15%	0.148	C	C	.	.	H	α-helix	trans	-61.4	-38.2	172.1	-56.7	0	0	0	0	111.6	N217 L266 A272 A273	N217-S269 WeakPolarHBondContact CA-OG 3.37Å; N217-S269 PolarHBondContact O-OG 2.91Å; N217-S269 PolarHBondContact OD1-N 3.49Å; N217-S269 PolarHBondContact OD1-OG 3.03Å; L266-S269 PolarHBondContact O-N 3.04Å; S269-A272 PolarHBondContact O-N 2.79Å; S269-A273 WeakPolarHBondContact O-CB 3.46Å; S269-A273 PolarHBondContact O-N 3.32Å
270	R	95.4	Very high	92.5	Very high	43 Å²	43	26.5 Å²	26.5	16%	0.162	13%	0.133	C	C	.	.	H	α-helix	trans	-61	-46.4	173.8	-171.9	-172	-66.4	113.7	3.9	111.6	I246 H250 A262 E263 L266 D267 R268 A273 N274	I246-R270 HydrophobicContact CG2-CB 4.24Å; H250-R270 PolarHBondContact CD2-NH2 3.08Å; A262-R270 PolarHBondContact O-NH2 3.5Å; E263-R270 PolarHBondContact O-NH1 3.24Å; L266-R270 WeakPolarHBondContact O-CB 3.35Å; L266-R270 PolarHBondContact O-N 3.24Å; D267-R270 PolarHBondContact O-N 2.96Å; D267-R270 IonicContact OD1-CZ 3.49Å; D267-R270 IonicContact OD1-NH1 2.71Å; D267-R270 PolarHBondContact OD1-NH1 3.31Å; R268-R270 VanDerWaalsContact C-N 3.28Å; R268-R270 PolarHBondContact O-N 3.27Å; R270-A273 PolarHBondContact O-N 2.89Å; R270-N274 WeakPolarHBondContact O-CB 3.36Å; R270-N274 PolarHBondContact O-N 3.31Å; R270-N274 PolarHBondContact O-ND2 2.92Å
271	Q	95.4	Very high	92.6	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	13%	0.126	C	C	.	.	H	α-helix	trans	-67.9	-38	177.8	-71.1	-177.1	36.4	0	0	112.7	D267 R268 N274 L275 T289 Y291 L293	D267-Q271 WeakPolarHBondContact O-CB 3.28Å; D267-Q271 WeakPolarHBondContact O-CG 3.49Å; D267-Q271 PolarHBondContact O-N 3.49Å; D267-Q271 PolarHBondContact OD2-NE2 3.08Å; R268-Q271 PolarHBondContact O-N 2.8Å; Q271-N274 PolarHBondContact O-N 2.67Å; Q271-L275 WeakPolarHBondContact O-CB 3.46Å; Q271-L275 PolarHBondContact O-N 3.08Å; Q271-T289 VanDerWaalsContact CB-O 3.3Å; Q271-T289 WeakPolarHBondContact CB-O 3.13Å; Q271-T289 WeakPolarHBondContact CG-O 3.44Å; Q271-T289 PolarHBondContact OE1-O 3.2Å; Q271-Y291 HydrophobicContact CG-CE1 4.4Å; Q271-Y291 PolarHBondContact NE2-OH 3.5Å; Q271-Y291 VanDerWaalsContact OE1-N 3.09Å; Q271-L293 HydrophobicContact CB-CD1 4.16Å; Q271-L293 HydrophobicContact CB-CD2 4.16Å; Q271-L293 HydrophobicContact CB-CG 4Å
272	A	95.1	Very high	92.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.2	-44.9	173.4	0	0	0	0	0	111.8	F221 L224 R268 S269 N274 L275 L276 L293 I301	F221-A272 HydrophobicContact CD2-CB 4.11Å; F221-A272 HydrophobicContact CE2-CB 3.95Å; L224-A272 HydrophobicContact CD1-CB 4.02Å; R268-A272 WeakPolarHBondContact O-CB 3.33Å; R268-A272 PolarHBondContact O-N 2.68Å; S269-A272 PolarHBondContact O-N 2.79Å; A272-N274 VanDerWaalsContact C-N 3.34Å; A272-N274 PolarHBondContact O-N 2.85Å; A272-L275 PolarHBondContact O-N 3.31Å; A272-L276 WeakPolarHBondContact O-CG 3.04Å; A272-L276 PolarHBondContact O-N 2.6Å; A272-L293 HydrophobicContact CB-CD1 4.49Å; A272-I301 HydrophobicContact CB-CD1 3.92Å
273	A	95.3	Very high	92.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.8	-41.7	174.9	0	0	0	0	0	112.1	L242 Q243 I246 S269 R270 A277	L242-A273 HydrophobicContact CB-CB 3.58Å; Q243-A273 HydrophobicContact CG-CB 4.03Å; I246-A273 HydrophobicContact CD1-CB 4.39Å; S269-A273 WeakPolarHBondContact O-CB 3.46Å; S269-A273 PolarHBondContact O-N 3.32Å; R270-A273 PolarHBondContact O-N 2.89Å; A273-A277 VanDerWaalsContact O-CB 3.23Å; A273-A277 WeakPolarHBondContact O-CB 3.22Å; A273-A277 PolarHBondContact O-N 3.5Å
274	N	95.5	Very high	92.5	Very high	45 Å²	45	29.2 Å²	29.2	24%	0.241	16%	0.16	C	C	.	.	H	α-helix	trans	-63.7	-42.8	174.1	-69.5	-23.6	0	0	0	112.5	Q243 R270 Q271 A272 A277 T278 T289	Q243-N274 PolarHBondContact NE2-OD1 3.32Å; R270-N274 WeakPolarHBondContact O-CB 3.36Å; R270-N274 PolarHBondContact O-N 3.31Å; R270-N274 PolarHBondContact O-ND2 2.92Å; Q271-N274 PolarHBondContact O-N 2.67Å; A272-N274 VanDerWaalsContact C-N 3.34Å; A272-N274 PolarHBondContact O-N 2.85Å; N274-A277 PolarHBondContact O-N 2.68Å; N274-T278 WeakPolarHBondContact O-CB 3.48Å; N274-T278 PolarHBondContact O-N 2.91Å; N274-T278 PolarHBondContact O-OG1 3.24Å; N274-T289 HydrophobicContact CB-CG2 3.86Å
275	L	94.9	Very high	92.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-42.1	179.1	-173.9	64.7	0	0	0	111.3	Q271 A272 L286 C290 L293 I301 L302	Q271-L275 WeakPolarHBondContact O-CB 3.46Å; Q271-L275 PolarHBondContact O-N 3.08Å; A272-L275 PolarHBondContact O-N 3.31Å; L275-L286 HydrophobicContact CD1-CB 4.31Å; L275-L286 HydrophobicContact CD1-CD2 3.77Å; L275-C290 HydrophobicContact CD1-CB 4.26Å; L275-C290 HydrophobicContact CD2-CB 4.31Å; L275-L293 HydrophobicContact CD2-CD1 4.05Å; L275-I301 HydrophobicContact CD2-CB 4.35Å; L275-I301 HydrophobicContact CD2-CG2 4.02Å; L275-I301 HydrophobicContact CG-CG2 4.46Å; L275-L302 HydrophobicContact CD1-CD1 4.43Å; L275-L302 HydrophobicContact CD1-CD2 4.01Å; L275-L302 HydrophobicContact CD1-CG 4.46Å; L275-L302 HydrophobicContact CD2-CD2 4.25Å; L275-L302 HydrophobicContact CD2-CG 4.17Å; L275-L302 HydrophobicContact CG-CD2 3.9Å; L275-L302 HydrophobicContact CG-CG 4.36Å
276	L	93.8	Very high	92.5	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-64.4	-42.7	172.5	-73	172.9	0	0	0	112.3	L224 L234 T236 L238 A272 T278 K280 I301 F305	L224-L276 HydrophobicContact CD2-CD1 4.31Å; L234-L276 HydrophobicContact CB-CD2 3.99Å; L234-L276 HydrophobicContact CD2-CD1 4.36Å; T236-L276 PolarHBondContact OG1-O 3.49Å; L238-L276 HydrophobicContact CD2-CD1 4.45Å; A272-L276 WeakPolarHBondContact O-CG 3.04Å; A272-L276 PolarHBondContact O-N 2.6Å; L276-T278 PolarHBondContact O-N 2.9Å; L276-K280 PolarHBondContact O-NZ 2.92Å; L276-I301 HydrophobicContact CD2-CG2 3.77Å; L276-I301 HydrophobicContact CG-CG2 3.97Å; L276-F305 HydrophobicContact CD2-CD2 3.97Å
277	A	93.5	Very high	92.2	Very high	17 Å²	17	28.6 Å²	28.6	14%	0.14	16%	0.162	C	C	.	.	H	α-helix	trans	-77.2	-15.4	-176.2	0	0	0	0	0	115	K240 Q243 A273 N274	K240-A277 HydrophobicContact CG-CB 4Å; Q243-A277 HydrophobicContact CG-CB 4.41Å; Q243-A277 VanDerWaalsContact OE1-CB 3.24Å; A273-A277 VanDerWaalsContact O-CB 3.23Å; A273-A277 WeakPolarHBondContact O-CB 3.22Å; A273-A277 PolarHBondContact O-N 3.5Å; N274-A277 PolarHBondContact O-N 2.68Å
278	T	93.4	Very high	92.1	Very high	25 Å²	25	31 Å²	31	15%	0.153	18%	0.18	C	C	.	.	S	Bend	trans	-82.3	148.2	-177	-63.3	0	0	0	0	111.6	N274 L276 K280 A285 L286	N274-T278 WeakPolarHBondContact O-CB 3.48Å; N274-T278 PolarHBondContact O-N 2.91Å; N274-T278 PolarHBondContact O-OG1 3.24Å; L276-T278 PolarHBondContact O-N 2.9Å; T278-K280 PolarHBondContact O-N 3.16Å; T278-K280 PolarHBondContact O-NZ 2.91Å; T278-A285 HydrophobicContact CG2-CB 3.76Å; T278-L286 HydrophobicContact CG2-CD2 3.72Å; T278-L286 HydrophobicContact CG2-CG 3.98Å
279	Q	90	Very high	91.9	Very high	128 Å²	128	30.4 Å²	30.4	60%	0.598	18%	0.179	S	C	*	.			trans	-65	129.9	178.2	-62	-176.2	-2.3	0	0	110.8	N281 D282	Q279-N281 WeakPolarHBondContact CB-OD1 3.42Å; Q279-N281 PolarHBondContact O-N 3.08Å; Q279-N281 VanDerWaalsContact O-N 3.12Å; Q279-D282 PolarHBondContact O-N 2.58Å
280	K	92.8	Very high	91.5	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-3.4	-168.1	-53.5	-54.9	178.1	-61.3	0	115	T236 L276 T278 L286 L302 F305 C314 V318	T236-K280 PolarHBondContact OG1-NZ 2.69Å; T236-K280 VanDerWaalsContact OG1-NZ 3.11Å; L276-K280 PolarHBondContact O-NZ 2.92Å; T278-K280 PolarHBondContact O-N 3.16Å; T278-K280 PolarHBondContact O-NZ 2.91Å; K280-L286 HydrophobicContact CD-CD2 4.42Å; K280-L302 HydrophobicContact CD-CD2 4.39Å; K280-F305 HydrophobicContact CD-CD1 4.31Å; K280-F305 HydrophobicContact CD-CE1 4.25Å; K280-F305 HydrophobicContact CD-CZ 4.41Å; K280-F305 VanDerWaalsContact CE-CD2 3.41Å; K280-F305 VanDerWaalsContact CE-CZ 3.43Å; K280-F305 HydrophobicContact CG-CD1 4Å; K280-F305 HydrophobicContact CG-CE1 3.71Å; K280-F305 HydrophobicContact CG-CZ 4.19Å; K280-C314 HydrophobicContact CB-CB 4.07Å; K280-C314 HydrophobicContact CG-CB 4.18Å; K280-V318 WeakPolarHBondContact O-CG1 3.3Å
281	N	88.1	Confident	91	Very high	81 Å²	81	31.2 Å²	31.2	43%	0.433	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-21	175.2	60.2	-15.5	0	0	0	114.1	Q279 V283	Q279-N281 WeakPolarHBondContact CB-OD1 3.42Å; Q279-N281 PolarHBondContact O-N 3.08Å; Q279-N281 VanDerWaalsContact O-N 3.12Å; N281-V283 PolarHBondContact O-N 3.03Å
282	D	89.1	Confident	90.6	Very high	75 Å²	75	33.2 Å²	33.2	40%	0.401	19%	0.192	S	C	.	.			trans	-88	87	-179.5	-170.9	-14.3	0	0	0	111.6	Q279 A284 A285 L286	Q279-D282 PolarHBondContact O-N 2.58Å; D282-A284 PolarHBondContact O-N 3.43Å; D282-A284 WeakPolarHBondContact OD1-CA 3.15Å; D282-A284 WeakPolarHBondContact OD1-CB 3.37Å; D282-A284 PolarHBondContact OD1-N 3.4Å; D282-A285 HydrophobicContact CB-CB 3.87Å; D282-A285 VanDerWaalsContact CG-CB 3.42Å; D282-A285 PolarHBondContact O-N 3.07Å; D282-A285 PolarHBondContact OD1-N 2.98Å; D282-A285 WeakPolarHBondContact OD2-CB 3.47Å; D282-L286 WeakPolarHBondContact O-CB 3.3Å; D282-L286 VanDerWaalsContact O-CG 3.22Å; D282-L286 WeakPolarHBondContact O-CG 3.35Å; D282-L286 PolarHBondContact O-N 2.92Å
283	V	89	Confident	90.5	Very high	47 Å²	47	33.2 Å²	33.2	29%	0.285	19%	0.192	S	C	.	.	H	α-helix	trans	-54.5	-31.8	176.5	-174.3	0	0	0	0	112.6	N281 G287 V318 R321 I322	N281-V283 PolarHBondContact O-N 3.03Å; V283-G287 PolarHBondContact O-N 3.24Å; V283-V318 HydrophobicContact CG2-CG1 4.37Å; V283-V318 HydrophobicContact CG2-CG2 4.24Å; V283-R321 HydrophobicContact CG1-CB 3.97Å; V283-I322 HydrophobicContact CB-CD1 4.43Å; V283-I322 HydrophobicContact CG1-CD1 3.7Å; V283-I322 WeakPolarHBondContact O-CD1 3.22Å
284	A	88.4	Confident	90.4	Very high	55 Å²	55	33.3 Å²	33.3	46%	0.455	19%	0.192	S	C	.	.	H	α-helix	trans	-79.1	-41.5	-178.7	0	0	0	0	0	111.7	D282 S288	D282-A284 PolarHBondContact O-N 3.43Å; D282-A284 WeakPolarHBondContact OD1-CA 3.15Å; D282-A284 WeakPolarHBondContact OD1-CB 3.37Å; D282-A284 PolarHBondContact OD1-N 3.4Å; A284-S288 WeakPolarHBondContact O-CB 3.43Å; A284-S288 PolarHBondContact O-N 3.18Å; A284-S288 VanDerWaalsContact O-N 3.13Å
285	A	90.1	Very high	90.4	Very high	29 Å²	29	31.8 Å²	31.8	24%	0.24	19%	0.185	C	C	.	.	H	α-helix	trans	-62.3	-54	171.4	0	0	0	0	0	110.7	T278 D282 G287 S288 T289	T278-A285 HydrophobicContact CG2-CB 3.76Å; D282-A285 HydrophobicContact CB-CB 3.87Å; D282-A285 VanDerWaalsContact CG-CB 3.42Å; D282-A285 PolarHBondContact O-N 3.07Å; D282-A285 PolarHBondContact OD1-N 2.98Å; D282-A285 WeakPolarHBondContact OD2-CB 3.47Å; A285-G287 PolarHBondContact O-N 3.26Å; A285-S288 WeakPolarHBondContact O-CA 3.4Å; A285-S288 WeakPolarHBondContact O-CB 3.3Å; A285-S288 PolarHBondContact O-N 3.4Å; A285-S288 PolarHBondContact O-OG 3.35Å; A285-T289 WeakPolarHBondContact O-CG2 3.47Å; A285-T289 PolarHBondContact O-N 2.84Å
286	L	91	Very high	90.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-52	-52.2	178.6	-68.1	165.9	0	0	0	111.2	L275 T278 K280 D282 S288 T289 C290 V318 I322	L275-L286 HydrophobicContact CD1-CB 4.31Å; L275-L286 HydrophobicContact CD1-CD2 3.77Å; T278-L286 HydrophobicContact CG2-CD2 3.72Å; T278-L286 HydrophobicContact CG2-CG 3.98Å; K280-L286 HydrophobicContact CD-CD2 4.42Å; D282-L286 WeakPolarHBondContact O-CB 3.3Å; D282-L286 VanDerWaalsContact O-CG 3.22Å; D282-L286 WeakPolarHBondContact O-CG 3.35Å; D282-L286 PolarHBondContact O-N 2.92Å; L286-S288 PolarHBondContact O-N 2.86Å; L286-T289 PolarHBondContact O-N 3.49Å; L286-T289 PolarHBondContact O-OG1 3.36Å; L286-C290 PolarHBondContact O-N 3.44Å; L286-V318 HydrophobicContact CD1-CG1 3.6Å; L286-I322 HydrophobicContact CB-CD1 3.78Å; L286-I322 HydrophobicContact CB-CG1 4.1Å; L286-I322 HydrophobicContact CD1-CG1 4.47Å
287	G	88.2	Confident	90.4	Very high	10 Å²	10	35.8 Å²	35.8	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-62.3	-26.1	179	0	0	0	0	0	114.4	V283 A285	V283-G287 PolarHBondContact O-N 3.24Å; A285-G287 PolarHBondContact O-N 3.26Å
288	S	88.6	Confident	90.4	Very high	59 Å²	59	35 Å²	35	41%	0.413	20%	0.199	S	C	.	.	H	α-helix	trans	-77.3	-21.1	172.8	79.7	0	0	0	0	113.8	A284 A285 L286	A284-S288 WeakPolarHBondContact O-CB 3.43Å; A284-S288 PolarHBondContact O-N 3.18Å; A284-S288 VanDerWaalsContact O-N 3.13Å; A285-S288 WeakPolarHBondContact O-CA 3.4Å; A285-S288 WeakPolarHBondContact O-CB 3.3Å; A285-S288 PolarHBondContact O-N 3.4Å; A285-S288 PolarHBondContact O-OG 3.35Å; L286-S288 PolarHBondContact O-N 2.86Å
289	T	87.6	Confident	90.4	Very high	18 Å²	18	36.2 Å²	36.2	11%	0.11	21%	0.207	C	C	.	.	H	α-helix	trans	-84.7	-27	-178.6	63.5	0	0	0	0	114.6	Q271 N274 A285 L286	Q271-T289 VanDerWaalsContact CB-O 3.3Å; Q271-T289 WeakPolarHBondContact CB-O 3.13Å; Q271-T289 WeakPolarHBondContact CG-O 3.44Å; Q271-T289 PolarHBondContact OE1-O 3.2Å; N274-T289 HydrophobicContact CB-CG2 3.86Å; A285-T289 WeakPolarHBondContact O-CG2 3.47Å; A285-T289 PolarHBondContact O-N 2.84Å; L286-T289 PolarHBondContact O-N 3.49Å; L286-T289 PolarHBondContact O-OG1 3.36Å
290	C	86.4	Confident	90.6	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.02	19%	0.191	C	C	.	.			trans	-110.3	25.5	-164.9	67.3	0	0	0	0	114.9	L275 L286 K292 L293 V298 I322	L275-C290 HydrophobicContact CD1-CB 4.26Å; L275-C290 HydrophobicContact CD2-CB 4.31Å; L286-C290 PolarHBondContact O-N 3.44Å; C290-K292 PolarHBondContact O-N 3.01Å; C290-L293 HydrophobicContact CB-CB 4.17Å; C290-L293 HydrophobicContact CB-CD1 4Å; C290-L293 HydrophobicContact CB-CG 4.21Å; C290-L293 PolarHBondContact O-N 2.89Å; C290-V298 HydrophobicContact CB-CG2 4.17Å; C290-I322 WeakPolarHBondContact SG-CG2 3.03Å
291	Y	85.2	Confident	90.6	Very high	60 Å²	60	32.9 Å²	32.9	24%	0.235	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-10.8	-168.1	62.8	-95.2	0	0	0	117.2	D267 Q271 P700	D267-Y291 PolarHBondContact OD2-OH 3.32Å; D267-Y291 VanDerWaalsContact OD2-OH 3.11Å; Q271-Y291 HydrophobicContact CG-CE1 4.4Å; Q271-Y291 PolarHBondContact NE2-OH 3.5Å; Q271-Y291 VanDerWaalsContact OE1-N 3.09Å; Y291-P700 HydrophobicContact CD1-CG 4.19Å; Y291-P700 HydrophobicContact CD2-CG 3.75Å; Y291-P700 HydrophobicContact CG-CG 3.6Å
292	K	86.3	Confident	90.8	Very high	43 Å²	43	29.2 Å²	29.2	19%	0.187	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-11.8	168.2	-70.4	179.5	-177.9	160.1	0	113.3	D267 R268 C290	D267-K292 WeakPolarHBondContact OD2-CD 3.15Å; D267-K292 WeakPolarHBondContact OD2-CE 3.44Å; D267-K292 IonicContact OD2-NZ 2.66Å; D267-K292 PolarHBondContact OD2-NZ 3.06Å; R268-K292 PolarHBondContact NH1-O 3.24Å; C290-K292 PolarHBondContact O-N 3.01Å
293	L	93.1	Very high	90.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-75.5	129.5	178.4	-55.9	-172.2	0	0	0	109	F221 R268 Q271 A272 L275 C290 Q297 V298 I301 A330	F221-L293 HydrophobicContact CE2-CD2 3.66Å; F221-L293 HydrophobicContact CZ-CD2 4.12Å; R268-L293 HydrophobicContact CB-CD2 4.14Å; R268-L293 HydrophobicContact CG-CD2 4.31Å; Q271-L293 HydrophobicContact CB-CD1 4.16Å; Q271-L293 HydrophobicContact CB-CD2 4.16Å; Q271-L293 HydrophobicContact CB-CG 4Å; A272-L293 HydrophobicContact CB-CD1 4.49Å; L275-L293 HydrophobicContact CD2-CD1 4.05Å; C290-L293 HydrophobicContact CB-CB 4.17Å; C290-L293 HydrophobicContact CB-CD1 4Å; C290-L293 HydrophobicContact CB-CG 4.21Å; C290-L293 PolarHBondContact O-N 2.89Å; L293-Q297 HydrophobicContact CB-CB 4.36Å; L293-V298 HydrophobicContact CB-CG2 3.83Å; L293-I301 HydrophobicContact CD1-CD1 4.37Å; L293-A330 WeakPolarHBondContact O-CB 3.39Å
294	N	94.3	Very high	90.9	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.016	18%	0.18	C	C	.	.			trans	-78.4	168.5	-179.8	69.8	49.4	0	0	0	112.1	L296 Q297 V298 D331 V341 T342	N294-L296 VanDerWaalsContact C-N 3.33Å; N294-L296 PolarHBondContact O-N 2.72Å; N294-L296 WeakPolarHBondContact OD1-CB 3.3Å; N294-L296 PolarHBondContact OD1-N 2.57Å; N294-Q297 PolarHBondContact ND2-NE2 3.43Å; N294-Q297 PolarHBondContact ND2-OE1 2.91Å; N294-Q297 WeakPolarHBondContact O-CB 3.44Å; N294-Q297 PolarHBondContact O-N 3.17Å; N294-Q297 VanDerWaalsContact O-N 3.12Å; N294-Q297 WeakPolarHBondContact OD1-CG 3.2Å; N294-Q297 PolarHBondContact OD1-N 2.93Å; N294-V298 WeakPolarHBondContact O-CG2 3.33Å; N294-V298 PolarHBondContact O-N 3.1Å; N294-D331 VanDerWaalsContact CA-OD1 3.24Å; N294-D331 WeakPolarHBondContact CA-OD1 3.42Å; N294-D331 VanDerWaalsContact CB-OD1 3.28Å; N294-D331 WeakPolarHBondContact CB-OD1 3.48Å; N294-V341 HydrophobicContact CB-CG1 3.84Å; N294-T342 PolarHBondContact ND2-O 2.86Å
295	S	94.5	Very high	91	Very high	12 Å²	12	26.7 Å²	26.7	8%	0.084	16%	0.162	C	C	.	.	H	α-helix	trans	-51.4	-47.8	-178.1	59.1	0	0	0	0	112.8	Q297 V298 V299 D331	S295-Q297 PolarHBondContact O-N 3.36Å; S295-V298 PolarHBondContact O-N 3.32Å; S295-V299 WeakPolarHBondContact O-CB 3.48Å; S295-V299 VanDerWaalsContact O-CG2 3.28Å; S295-V299 WeakPolarHBondContact O-CG2 3.5Å; S295-V299 PolarHBondContact O-N 3.28Å; S295-D331 VanDerWaalsContact CB-OD2 3.29Å; S295-D331 WeakPolarHBondContact CB-OD2 3.32Å; S295-D331 PolarHBondContact N-OD1 2.8Å; S295-D331 PolarHBondContact OG-OD2 3.04Å
296	L	93.9	Very high	91	Very high	85 Å²	85	30 Å²	30	45%	0.445	17%	0.172	S	C	.	.	H	α-helix	trans	-62.6	-43.4	178.9	-54.1	-178.3	0	0	0	111.7	N294 H300 V341 L343	N294-L296 VanDerWaalsContact C-N 3.33Å; N294-L296 PolarHBondContact O-N 2.72Å; N294-L296 WeakPolarHBondContact OD1-CB 3.3Å; N294-L296 PolarHBondContact OD1-N 2.57Å; L296-H300 VanDerWaalsContact O-CB 3.31Å; L296-H300 WeakPolarHBondContact O-CB 3.45Å; L296-H300 PolarHBondContact O-N 3.46Å; L296-V341 HydrophobicContact CD1-CG1 3.91Å; L296-V341 HydrophobicContact CG-CG1 3.95Å; L296-L343 HydrophobicContact CB-CD1 4.41Å
297	Q	94.4	Very high	90.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.8	-45.9	177.7	-73.7	174	-11.9	0	0	111.8	F221 L293 N294 S295 I301 L343 E345	F221-Q297 HydrophobicContact CE1-CG 3.79Å; F221-Q297 HydrophobicContact CZ-CB 3.96Å; F221-Q297 VanDerWaalsContact CZ-CD 3.43Å; F221-Q297 HydrophobicContact CZ-CG 3.62Å; L293-Q297 HydrophobicContact CB-CB 4.36Å; N294-Q297 PolarHBondContact ND2-NE2 3.43Å; N294-Q297 PolarHBondContact ND2-OE1 2.91Å; N294-Q297 WeakPolarHBondContact O-CB 3.44Å; N294-Q297 PolarHBondContact O-N 3.17Å; N294-Q297 VanDerWaalsContact O-N 3.12Å; N294-Q297 WeakPolarHBondContact OD1-CG 3.2Å; N294-Q297 PolarHBondContact OD1-N 2.93Å; S295-Q297 PolarHBondContact O-N 3.36Å; Q297-I301 WeakPolarHBondContact O-CB 3.36Å; Q297-I301 WeakPolarHBondContact O-CD1 3.33Å; Q297-I301 VanDerWaalsContact O-CG1 3.27Å; Q297-I301 WeakPolarHBondContact O-CG1 3.37Å; Q297-I301 PolarHBondContact O-N 3.31Å; Q297-I301 VanDerWaalsContact O-N 3.1Å; Q297-L343 HydrophobicContact CG-CD1 4.48Å; Q297-L343 WeakPolarHBondContact CG-O 3.49Å; Q297-L343 PolarHBondContact NE2-O 3.34Å; Q297-E345 PolarHBondContact NE2-OE1 3.12Å
298	V	94.4	Very high	90.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-49.7	177	164.9	0	0	0	0	111.4	C290 L293 N294 S295 I301 L302 I322 A326	C290-V298 HydrophobicContact CB-CG2 4.17Å; L293-V298 HydrophobicContact CB-CG2 3.83Å; N294-V298 WeakPolarHBondContact O-CG2 3.33Å; N294-V298 PolarHBondContact O-N 3.1Å; S295-V298 PolarHBondContact O-N 3.32Å; V298-I301 PolarHBondContact O-N 2.77Å; V298-L302 HydrophobicContact CG1-CD1 3.88Å; V298-L302 WeakPolarHBondContact O-CB 3.43Å; V298-L302 WeakPolarHBondContact O-CG 3.48Å; V298-L302 PolarHBondContact O-N 3.11Å; V298-I322 HydrophobicContact CG1-CB 3.94Å; V298-I322 HydrophobicContact CG1-CG2 3.6Å; V298-A326 HydrophobicContact CG2-CB 4.05Å
299	V	93.5	Very high	90.4	Very high	52 Å²	52	41 Å²	41	32%	0.315	23%	0.228	S	C	.	.	H	α-helix	trans	-61.7	-46.1	-180	170.5	0	0	0	0	110.6	S295 I301 L302 S303 V319 C323	S295-V299 WeakPolarHBondContact O-CB 3.48Å; S295-V299 VanDerWaalsContact O-CG2 3.28Å; S295-V299 WeakPolarHBondContact O-CG2 3.5Å; S295-V299 PolarHBondContact O-N 3.28Å; V299-I301 PolarHBondContact O-N 3.48Å; V299-L302 PolarHBondContact O-N 3.18Å; V299-S303 VanDerWaalsContact O-CB 3.25Å; V299-S303 WeakPolarHBondContact O-CB 3.3Å; V299-S303 PolarHBondContact O-N 3.28Å; V299-S303 PolarHBondContact O-OG 3.11Å; V299-V319 HydrophobicContact CB-CG1 4.42Å; V299-V319 HydrophobicContact CG1-CG1 4.45Å; V299-V319 HydrophobicContact CG2-CG1 4.12Å; V299-C323 HydrophobicContact CG2-CB 3.76Å; V299-C323 VanDerWaalsContact CG2-SG 3.58Å
300	H	92.8	Very high	90	Very high	57 Å²	57	44.4 Å²	44.4	26%	0.264	27%	0.266	S	S	.	.	H	α-helix	trans	-63.2	-43.5	-179	-166.8	90.8	0	0	0	112.7	L296 G304 L343	L296-H300 VanDerWaalsContact O-CB 3.31Å; L296-H300 WeakPolarHBondContact O-CB 3.45Å; L296-H300 PolarHBondContact O-N 3.46Å; H300-G304 PolarHBondContact O-N 3.14Å; H300-L343 HydrophobicContact CB-CD1 3.63Å
301	I	92.9	Very high	90.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-69	-36.9	-179.7	-67.4	167.5	0	0	0	111.8	F221 V225 A272 L275 L276 L293 Q297 V298 V299	F221-I301 HydrophobicContact CE2-CD1 4.29Å; F221-I301 HydrophobicContact CZ-CD1 4.31Å; V225-I301 HydrophobicContact CG1-CD1 4.26Å; V225-I301 HydrophobicContact CG1-CG1 3.98Å; A272-I301 HydrophobicContact CB-CD1 3.92Å; L275-I301 HydrophobicContact CD2-CB 4.35Å; L275-I301 HydrophobicContact CD2-CG2 4.02Å; L275-I301 HydrophobicContact CG-CG2 4.46Å; L276-I301 HydrophobicContact CD2-CG2 3.77Å; L276-I301 HydrophobicContact CG-CG2 3.97Å; L293-I301 HydrophobicContact CD1-CD1 4.37Å; Q297-I301 WeakPolarHBondContact O-CB 3.36Å; Q297-I301 WeakPolarHBondContact O-CD1 3.33Å; Q297-I301 VanDerWaalsContact O-CG1 3.27Å; Q297-I301 WeakPolarHBondContact O-CG1 3.37Å; Q297-I301 PolarHBondContact O-N 3.31Å; Q297-I301 VanDerWaalsContact O-N 3.1Å; V298-I301 PolarHBondContact O-N 2.77Å; V299-I301 PolarHBondContact O-N 3.48Å
302	L	92.4	Very high	90.2	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-84.9	-38.8	-177.8	-67.3	178.4	0	0	0	113.7	L275 K280 V298 V299 G304 F305 V319 I322	L275-L302 HydrophobicContact CD1-CD1 4.43Å; L275-L302 HydrophobicContact CD1-CD2 4.01Å; L275-L302 HydrophobicContact CD1-CG 4.46Å; L275-L302 HydrophobicContact CD2-CD2 4.25Å; L275-L302 HydrophobicContact CD2-CG 4.17Å; L275-L302 HydrophobicContact CG-CD2 3.9Å; L275-L302 HydrophobicContact CG-CG 4.36Å; K280-L302 HydrophobicContact CD-CD2 4.39Å; V298-L302 HydrophobicContact CG1-CD1 3.88Å; V298-L302 WeakPolarHBondContact O-CB 3.43Å; V298-L302 WeakPolarHBondContact O-CG 3.48Å; V298-L302 PolarHBondContact O-N 3.11Å; V299-L302 PolarHBondContact O-N 3.18Å; L302-G304 VanDerWaalsContact C-N 3.31Å; L302-F305 VanDerWaalsContact O-CB 3.24Å; L302-F305 WeakPolarHBondContact O-CB 2.96Å; L302-F305 PolarHBondContact O-N 2.91Å; L302-V319 HydrophobicContact CB-CG1 4.17Å; L302-V319 HydrophobicContact CB-CG2 3.87Å; L302-I322 HydrophobicContact CD1-CB 4.19Å; L302-I322 HydrophobicContact CD1-CG1 4.29Å; L302-I322 HydrophobicContact CD1-CG2 4.49Å
303	S	91.2	Very high	90.2	Very high	73 Å²	73	49 Å²	49	51%	0.51	30%	0.298	S	S	.	.	H	α-helix	trans	-75.9	-20.1	175	-63	0	0	0	0	112.9	V299 F305	V299-S303 VanDerWaalsContact O-CB 3.25Å; V299-S303 WeakPolarHBondContact O-CB 3.3Å; V299-S303 PolarHBondContact O-N 3.28Å; V299-S303 PolarHBondContact O-OG 3.11Å; S303-F305 VanDerWaalsContact C-N 3.35Å
304	G	89.1	Confident	90.1	Very high	35 Å²	35	50.2 Å²	50.2	36%	0.361	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	3.3	169.6	0	0	0	0	0	114.3	L234 H300 L302 E306	L234-G304 WeakPolarHBondContact CB-O 3.23Å; H300-G304 PolarHBondContact O-N 3.14Å; L302-G304 VanDerWaalsContact C-N 3.31Å; G304-E306 PolarHBondContact O-N 3.44Å
305	F	91.9	Very high	89.9	Confident	17 Å²	17	54.6 Å²	54.6	8%	0.075	33%	0.329	C	S	.	.			trans	-73.2	120.4	-174.4	179.9	-101	0	0	0	112.3	L234 T236 L276 K280 L302 S303 P307 C314	L234-F305 WeakPolarHBondContact O-CA 3.49Å; L234-F305 WeakPolarHBondContact O-CD2 3.37Å; L234-F305 WeakPolarHBondContact O-CE2 3.47Å; T236-F305 WeakPolarHBondContact OG1-CZ 3.4Å; L276-F305 HydrophobicContact CD2-CD2 3.97Å; K280-F305 HydrophobicContact CD-CD1 4.31Å; K280-F305 HydrophobicContact CD-CE1 4.25Å; K280-F305 HydrophobicContact CD-CZ 4.41Å; K280-F305 VanDerWaalsContact CE-CD2 3.41Å; K280-F305 VanDerWaalsContact CE-CZ 3.43Å; K280-F305 HydrophobicContact CG-CD1 4Å; K280-F305 HydrophobicContact CG-CE1 3.71Å; K280-F305 HydrophobicContact CG-CZ 4.19Å; L302-F305 VanDerWaalsContact O-CB 3.24Å; L302-F305 WeakPolarHBondContact O-CB 2.96Å; L302-F305 PolarHBondContact O-N 2.91Å; S303-F305 VanDerWaalsContact C-N 3.35Å; F305-P307 HydrophobicContact CE1-CB 3.92Å; F305-P307 WeakPolarHBondContact O-CD 3.5Å; F305-C314 HydrophobicContact CD1-CB 4.32Å
306	E	89.9	Confident	89.8	Confident	97 Å²	97	60.2 Å²	60.2	45%	0.453	36%	0.359	S	S	.	.			trans	-99.8	110.9	174.7	-65.5	-173.9	151.6	0	0	109.1	Q233 L234 N235 G304	Q233-E306 WeakPolarHBondContact CB-OE2 3.36Å; Q233-E306 WeakPolarHBondContact CG-OE2 3.14Å; Q233-E306 PolarHBondContact NE2-OE2 3.39Å; L234-E306 PolarHBondContact O-N 2.81Å; N235-E306 WeakPolarHBondContact CA-O 3.25Å; N235-E306 WeakPolarHBondContact CB-O 3.43Å; G304-E306 PolarHBondContact O-N 3.44Å
307	P	89	Confident	89.8	Confident	57 Å²	57	61 Å²	61	37%	0.37	36%	0.363	S	S	.	.			trans	-71	136.5	177.6	27.5	-32.8	0	0	0	111.4	F305 E311 P313	F305-P307 HydrophobicContact CE1-CB 3.92Å; F305-P307 WeakPolarHBondContact O-CD 3.5Å; P307-E311 HydrophobicContact CB-CB 4.04Å; P307-E311 HydrophobicContact CB-CG 4.35Å; P307-P313 HydrophobicContact CG-CB 4.34Å; P307-P313 HydrophobicContact CG-CG 4.26Å
308	D	85.8	Confident	89.7	Confident	64 Å²	64	61.1 Å²	61.1	34%	0.342	36%	0.364	S	S	.	.			trans	-70.3	163.2	169.5	-67.9	-44.7	0	0	0	110.8	N235 G310 E311	N235-D308 PolarHBondContact ND2-OD1 3.44Å; N235-D308 PolarHBondContact ND2-OD2 2.97Å; D308-G310 PolarHBondContact O-N 2.81Å; D308-G310 VanDerWaalsContact O-N 3.07Å; D308-E311 VanDerWaalsContact O-CB 3.32Å; D308-E311 WeakPolarHBondContact O-CB 3.38Å; D308-E311 PolarHBondContact O-N 3.49Å
309	D	79.7	Confident	89.7	Confident	181 Å²	181	61.4 Å²	61.4	97%	0.968	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	114.7	-177.8	-86.9	-38.5	0	0	0	113.1
310	G	80.1	Confident	89.8	Confident	88 Å²	88	62.5 Å²	62.5	91%	0.907	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	3.7	-179.5	0	0	0	0	0	115.4	D308	D308-G310 PolarHBondContact O-N 2.81Å; D308-G310 VanDerWaalsContact O-N 3.07Å
311	E	88	Confident	89.8	Confident	50 Å²	50	64.2 Å²	64.2	23%	0.234	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-78.9	155.2	169.9	-174.7	159.3	-148.4	0	0	112.4	T236 P307 D308 P313	T236-E311 VanDerWaalsContact CB-OE1 3.22Å; T236-E311 WeakPolarHBondContact CB-OE1 3.26Å; T236-E311 WeakPolarHBondContact CB-OE2 3.42Å; T236-E311 PolarHBondContact OG1-OE1 3.49Å; T236-E311 PolarHBondContact OG1-OE2 2.87Å; P307-E311 HydrophobicContact CB-CB 4.04Å; P307-E311 HydrophobicContact CB-CG 4.35Å; D308-E311 VanDerWaalsContact O-CB 3.32Å; D308-E311 WeakPolarHBondContact O-CB 3.38Å; D308-E311 PolarHBondContact O-N 3.49Å; E311-P313 WeakPolarHBondContact O-CD 3.47Å
312	I	86.8	Confident	89.9	Confident	79 Å²	79	64.2 Å²	64.2	41%	0.405	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-76.4	121	175.6	-53	176.1	0	0	0	108.8
313	P	87.3	Confident	90.1	Very high	75 Å²	75	64.8 Å²	64.8	49%	0.487	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-59.6	162.1	173	-22.5	34.2	0	0	0	112.5	P307 E311	P307-P313 HydrophobicContact CG-CB 4.34Å; P307-P313 HydrophobicContact CG-CG 4.26Å; E311-P313 WeakPolarHBondContact O-CD 3.47Å
314	C	89.3	Confident	90.2	Very high	24 Å²	24	67.1 Å²	67.1	16%	0.162	38%	0.376	C	S	.	.			trans	-87.7	111.1	172	-159.8	0	0	0	0	109.7	K280 F305	K280-C314 HydrophobicContact CB-CB 4.07Å; K280-C314 HydrophobicContact CG-CB 4.18Å; F305-C314 HydrophobicContact CD1-CB 4.32Å
315	D	91.8	Very high	90.4	Very high	95 Å²	95	68.5 Å²	68.5	51%	0.508	37%	0.374	S	S	.	.			trans	-65.9	137.4	173.3	-60.2	-46.9	0	0	0	110.2	D317 V318 V319	D315-D317 HydrophobicContact CB-CB 4.34Å; D315-D317 PolarHBondContact O-N 3.28Å; D315-D317 VanDerWaalsContact O-N 3.08Å; D315-V318 HydrophobicContact CB-CG2 4.22Å; D315-V318 WeakPolarHBondContact O-CA 3.43Å; D315-V318 WeakPolarHBondContact O-CB 3.48Å; D315-V318 PolarHBondContact O-N 3.45Å; D315-V319 PolarHBondContact O-N 3.36Å; D315-V319 VanDerWaalsContact O-N 3.13Å
316	D	92.1	Very high	90.5	Very high	131 Å²	131	67.9 Å²	67.9	70%	0.701	37%	0.372	S	S	*	.	H	α-helix	trans	-49.7	-37.8	170.9	-67.7	-43.6	0	0	0	111.6	V318 V319 D320	D316-V318 PolarHBondContact O-N 2.82Å; D316-V319 WeakPolarHBondContact O-CB 3.41Å; D316-V319 PolarHBondContact O-N 3.44Å; D316-D320 PolarHBondContact O-N 3.22Å
317	D	93.1	Very high	90.8	Very high	101 Å²	101	67.9 Å²	67.9	54%	0.54	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-27.8	178.7	-160.3	49.6	0	0	0	112.6	D315 R321	D315-D317 HydrophobicContact CB-CB 4.34Å; D315-D317 PolarHBondContact O-N 3.28Å; D315-D317 VanDerWaalsContact O-N 3.08Å; D317-R321 VanDerWaalsContact C-CZ 3.48Å; D317-R321 WeakPolarHBondContact O-CG 3.36Å; D317-R321 PolarHBondContact O-NE 2.67Å; D317-R321 VanDerWaalsContact O-NE 3.12Å; D317-R321 PolarHBondContact O-NH1 2.68Å; D317-R321 VanDerWaalsContact O-NH1 3.16Å; D317-R321 PolarHBondContact O-NH2 2.98Å; D317-R321 IonicContact OD1-NH1 2.8Å; D317-R321 IonicContact OD2-CZ 3.93Å; D317-R321 IonicContact OD2-NH1 2.7Å; D317-R321 PolarHBondContact OD2-NH1 2.62Å; D317-R321 IonicContact OD2-NH2 3.12Å; D317-R321 PolarHBondContact OD2-NH2 2.73Å
318	V	92.8	Very high	90.9	Very high	2 Å²	2	72.3 Å²	72.3	1%	0.012	39%	0.386	C	S	.	.	H	α-helix	trans	-78	-46.7	168.3	174.2	0	0	0	0	110.9	K280 V283 L286 D315 D316 D320 R321 I322	K280-V318 WeakPolarHBondContact O-CG1 3.3Å; V283-V318 HydrophobicContact CG2-CG1 4.37Å; V283-V318 HydrophobicContact CG2-CG2 4.24Å; L286-V318 HydrophobicContact CD1-CG1 3.6Å; D315-V318 HydrophobicContact CB-CG2 4.22Å; D315-V318 WeakPolarHBondContact O-CA 3.43Å; D315-V318 WeakPolarHBondContact O-CB 3.48Å; D315-V318 PolarHBondContact O-N 3.45Å; D316-V318 PolarHBondContact O-N 2.82Å; V318-D320 VanDerWaalsContact C-N 3.25Å; V318-D320 PolarHBondContact O-N 2.98Å; V318-R321 WeakPolarHBondContact O-CB 3.49Å; V318-R321 PolarHBondContact O-N 3.35Å; V318-I322 HydrophobicContact CG1-CG1 4.21Å; V318-I322 PolarHBondContact O-N 3.48Å
319	V	94.3	Very high	91.1	Very high	6 Å²	6	72 Å²	72	4%	0.036	38%	0.383	C	S	.	.	H	α-helix	trans	-53.1	-47	178.6	-173.2	0	0	0	0	110.5	V299 L302 D315 D316 R321 I322 C323	V299-V319 HydrophobicContact CB-CG1 4.42Å; V299-V319 HydrophobicContact CG1-CG1 4.45Å; V299-V319 HydrophobicContact CG2-CG1 4.12Å; L302-V319 HydrophobicContact CB-CG1 4.17Å; L302-V319 HydrophobicContact CB-CG2 3.87Å; D315-V319 PolarHBondContact O-N 3.36Å; D315-V319 VanDerWaalsContact O-N 3.13Å; D316-V319 WeakPolarHBondContact O-CB 3.41Å; D316-V319 PolarHBondContact O-N 3.44Å; V319-R321 VanDerWaalsContact C-N 3.31Å; V319-R321 PolarHBondContact O-N 2.97Å; V319-I322 PolarHBondContact O-N 3.11Å; V319-C323 VanDerWaalsContact O-CB 3.24Å; V319-C323 WeakPolarHBondContact O-CB 3.42Å; V319-C323 PolarHBondContact O-N 2.67Å
320	D	94.9	Very high	91.6	Very high	76 Å²	76	63.6 Å²	63.6	41%	0.406	34%	0.338	S	S	.	.	H	α-helix	trans	-63.7	-34	179.4	-128.2	54.7	0	0	0	112.5	D316 V318 R324	D316-D320 PolarHBondContact O-N 3.22Å; V318-D320 VanDerWaalsContact C-N 3.25Å; V318-D320 PolarHBondContact O-N 2.98Å; D320-R324 WeakPolarHBondContact O-CB 3.45Å; D320-R324 WeakPolarHBondContact O-CD 3.31Å; D320-R324 WeakPolarHBondContact O-CG 3.49Å; D320-R324 PolarHBondContact O-N 3.29Å; D320-R324 VanDerWaalsContact O-N 3.15Å; D320-R324 PolarHBondContact O-NE 3.44Å; D320-R324 IonicContact OD2-CZ 3.2Å; D320-R324 IonicContact OD2-NE 3.15Å; D320-R324 PolarHBondContact OD2-NE 2.99Å; D320-R324 VanDerWaalsContact OD2-NE 3.12Å; D320-R324 IonicContact OD2-NH2 2.83Å; D320-R324 PolarHBondContact OD2-NH2 3.46Å
321	R	94.3	Very high	92.2	Very high	93 Å²	93	60.2 Å²	60.2	35%	0.351	30%	0.299	S	S	.	.	H	α-helix	trans	-69.7	-41.1	175.1	-77.5	-176.7	-73.4	-95.9	5.7	112.9	V283 D317 V318 V319 L325	V283-R321 HydrophobicContact CG1-CB 3.97Å; D317-R321 VanDerWaalsContact C-CZ 3.48Å; D317-R321 WeakPolarHBondContact O-CG 3.36Å; D317-R321 PolarHBondContact O-NE 2.67Å; D317-R321 VanDerWaalsContact O-NE 3.12Å; D317-R321 PolarHBondContact O-NH1 2.68Å; D317-R321 VanDerWaalsContact O-NH1 3.16Å; D317-R321 PolarHBondContact O-NH2 2.98Å; D317-R321 IonicContact OD1-NH1 2.8Å; D317-R321 IonicContact OD2-CZ 3.93Å; D317-R321 IonicContact OD2-NH1 2.7Å; D317-R321 PolarHBondContact OD2-NH1 2.62Å; D317-R321 IonicContact OD2-NH2 3.12Å; D317-R321 PolarHBondContact OD2-NH2 2.73Å; V318-R321 WeakPolarHBondContact O-CB 3.49Å; V318-R321 PolarHBondContact O-N 3.35Å; V319-R321 VanDerWaalsContact C-N 3.31Å; V319-R321 PolarHBondContact O-N 2.97Å; R321-L325 PolarHBondContact O-N 3.27Å
322	I	94.9	Very high	92.4	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-76.3	-36.8	179.1	-49.7	-55.7	0	0	0	110.8	V283 L286 C290 V298 L302 V318 V319 R324 L325 A326	V283-I322 HydrophobicContact CB-CD1 4.43Å; V283-I322 HydrophobicContact CG1-CD1 3.7Å; V283-I322 WeakPolarHBondContact O-CD1 3.22Å; L286-I322 HydrophobicContact CB-CD1 3.78Å; L286-I322 HydrophobicContact CB-CG1 4.1Å; L286-I322 HydrophobicContact CD1-CG1 4.47Å; C290-I322 WeakPolarHBondContact SG-CG2 3.03Å; V298-I322 HydrophobicContact CG1-CB 3.94Å; V298-I322 HydrophobicContact CG1-CG2 3.6Å; L302-I322 HydrophobicContact CD1-CB 4.19Å; L302-I322 HydrophobicContact CD1-CG1 4.29Å; L302-I322 HydrophobicContact CD1-CG2 4.49Å; V318-I322 HydrophobicContact CG1-CG1 4.21Å; V318-I322 PolarHBondContact O-N 3.48Å; V319-I322 PolarHBondContact O-N 3.11Å; I322-R324 PolarHBondContact O-N 2.8Å; I322-L325 WeakPolarHBondContact O-CB 3.49Å; I322-L325 PolarHBondContact O-N 3.47Å; I322-A326 PolarHBondContact O-N 2.77Å
323	C	95.1	Very high	92.4	Very high	16 Å²	16	62.1 Å²	62.1	11%	0.108	31%	0.306	C	S	.	.	H	α-helix	trans	-55	-53.6	172.3	-177.3	0	0	0	0	111.2	V299 V319 L325 A326 E327	V299-C323 HydrophobicContact CG2-CB 3.76Å; V299-C323 VanDerWaalsContact CG2-SG 3.58Å; V319-C323 VanDerWaalsContact O-CB 3.24Å; V319-C323 WeakPolarHBondContact O-CB 3.42Å; V319-C323 PolarHBondContact O-N 2.67Å; C323-L325 PolarHBondContact O-N 2.93Å; C323-A326 WeakPolarHBondContact O-CB 3.44Å; C323-A326 PolarHBondContact O-N 3.17Å; C323-E327 WeakPolarHBondContact O-CG 3.22Å; C323-E327 PolarHBondContact O-N 3.13Å
324	R	94.5	Very high	92.4	Very high	121 Å²	121	59.1 Å²	59.1	46%	0.457	29%	0.287	S	S	.	.	H	α-helix	trans	-64.6	-7.9	177	-64.4	172.1	-150	166.2	-0.8	114.9	D320 I322 E327 K328	D320-R324 WeakPolarHBondContact O-CB 3.45Å; D320-R324 WeakPolarHBondContact O-CD 3.31Å; D320-R324 WeakPolarHBondContact O-CG 3.49Å; D320-R324 PolarHBondContact O-N 3.29Å; D320-R324 VanDerWaalsContact O-N 3.15Å; D320-R324 PolarHBondContact O-NE 3.44Å; D320-R324 IonicContact OD2-CZ 3.2Å; D320-R324 IonicContact OD2-NE 3.15Å; D320-R324 PolarHBondContact OD2-NE 2.99Å; D320-R324 VanDerWaalsContact OD2-NE 3.12Å; D320-R324 IonicContact OD2-NH2 2.83Å; D320-R324 PolarHBondContact OD2-NH2 3.46Å; I322-R324 PolarHBondContact O-N 2.8Å; R324-E327 WeakPolarHBondContact CA-OE2 3.45Å; R324-K328 WeakPolarHBondContact O-CD 3.47Å; R324-K328 VanDerWaalsContact O-CE 3.24Å; R324-K328 WeakPolarHBondContact O-CE 3.47Å; R324-K328 WeakPolarHBondContact O-CG 3.38Å; R324-K328 PolarHBondContact O-NZ 3.34Å
325	L	93.1	Very high	92.4	Very high	64 Å²	64	63.4 Å²	63.4	34%	0.335	31%	0.307	S	S	.	.	H	α-helix	trans	-91	-46	169.3	-179.7	65	0	0	0	110.4	R321 I322 C323 E327 K328 Q329	R321-L325 PolarHBondContact O-N 3.27Å; I322-L325 WeakPolarHBondContact O-CB 3.49Å; I322-L325 PolarHBondContact O-N 3.47Å; C323-L325 PolarHBondContact O-N 2.93Å; L325-E327 PolarHBondContact O-N 3.04Å; L325-K328 PolarHBondContact O-N 3.16Å; L325-K328 VanDerWaalsContact O-N 3.15Å; L325-Q329 PolarHBondContact O-N 3Å
326	A	94.6	Very high	92.2	Very high	4 Å²	4	64.8 Å²	64.8	3%	0.033	31%	0.311	C	S	.	.	H	α-helix	trans	-58.8	-44.7	174.9	0	0	0	0	0	112.2	V298 I322 C323 K328 Q329 A330 D331	V298-A326 HydrophobicContact CG2-CB 4.05Å; I322-A326 PolarHBondContact O-N 2.77Å; C323-A326 WeakPolarHBondContact O-CB 3.44Å; C323-A326 PolarHBondContact O-N 3.17Å; A326-K328 PolarHBondContact O-N 3.11Å; A326-Q329 CarbonylContact O-C 3.59Å; A326-Q329 PolarHBondContact O-N 3.39Å; A326-Q329 VanDerWaalsContact O-N 3.08Å; A326-A330 PolarHBondContact O-N 2.72Å; A326-D331 PolarHBondContact O-N 3.38Å; A326-D331 VanDerWaalsContact O-N 3.08Å
327	E	94.6	Very high	91.7	Very high	98 Å²	98	60.6 Å²	60.6	46%	0.458	29%	0.289	S	S	.	.	I	π-helix	trans	-50.3	-42.1	172.7	-73.3	-178.6	146.1	0	0	112.8	C323 R324 L325	C323-E327 WeakPolarHBondContact O-CG 3.22Å; C323-E327 PolarHBondContact O-N 3.13Å; R324-E327 WeakPolarHBondContact CA-OE2 3.45Å; L325-E327 PolarHBondContact O-N 3.04Å
328	K	91.9	Very high	91.3	Very high	150 Å²	150	59 Å²	59	65%	0.652	30%	0.296	S	S	*	.	I	π-helix	trans	-81.7	-18	-175.6	-67.8	173.4	-169.7	158.2	0	113.3	R324 L325 A326	R324-K328 WeakPolarHBondContact O-CD 3.47Å; R324-K328 VanDerWaalsContact O-CE 3.24Å; R324-K328 WeakPolarHBondContact O-CE 3.47Å; R324-K328 WeakPolarHBondContact O-CG 3.38Å; R324-K328 PolarHBondContact O-NZ 3.34Å; L325-K328 PolarHBondContact O-N 3.16Å; L325-K328 VanDerWaalsContact O-N 3.15Å; A326-K328 PolarHBondContact O-N 3.11Å
329	Q	89.3	Confident	91	Very high	58 Å²	58	62.4 Å²	62.4	27%	0.271	31%	0.312	S	S	.	.	I	π-helix	trans	-119.9	-73.4	-172.3	-176.4	166.9	-4.5	0	0	111.8	L325 A326 L333	L325-Q329 PolarHBondContact O-N 3Å; A326-Q329 CarbonylContact O-C 3.59Å; A326-Q329 PolarHBondContact O-N 3.39Å; A326-Q329 VanDerWaalsContact O-N 3.08Å; Q329-L333 WeakPolarHBondContact O-CB 3.4Å; Q329-L333 WeakPolarHBondContact O-CD1 3.45Å; Q329-L333 VanDerWaalsContact O-CG 3.22Å; Q329-L333 WeakPolarHBondContact O-CG 3.48Å; Q329-L333 PolarHBondContact O-N 2.78Å
330	A	90.6	Very high	90.7	Very high	4 Å²	4	72.4 Å²	72.4	3%	0.033	35%	0.349	C	S	.	.	I	π-helix	trans	-69.3	-45	-174	0	0	0	0	0	112.7	L293 A326 L333 T334	L293-A330 WeakPolarHBondContact O-CB 3.39Å; A326-A330 PolarHBondContact O-N 2.72Å; A330-L333 PolarHBondContact O-N 3.02Å; A330-T334 WeakPolarHBondContact O-CB 3.38Å; A330-T334 PolarHBondContact O-N 2.91Å; A330-T334 PolarHBondContact O-OG1 3.03Å
331	D	94	Very high	90.5	Very high	16 Å²	16	70.5 Å²	70.5	9%	0.086	34%	0.34	C	S	.	.	I	π-helix	trans	-65.7	-45	178.8	-66.1	36.7	0	0	0	110.5	N294 S295 A326 L333 T334 L335 V341	N294-D331 VanDerWaalsContact CA-OD1 3.24Å; N294-D331 WeakPolarHBondContact CA-OD1 3.42Å; N294-D331 VanDerWaalsContact CB-OD1 3.28Å; N294-D331 WeakPolarHBondContact CB-OD1 3.48Å; S295-D331 VanDerWaalsContact CB-OD2 3.29Å; S295-D331 WeakPolarHBondContact CB-OD2 3.32Å; S295-D331 PolarHBondContact N-OD1 2.8Å; S295-D331 PolarHBondContact OG-OD2 3.04Å; A326-D331 PolarHBondContact O-N 3.38Å; A326-D331 VanDerWaalsContact O-N 3.08Å; D331-L333 PolarHBondContact O-N 3.46Å; D331-T334 WeakPolarHBondContact O-CB 3.48Å; D331-T334 PolarHBondContact O-N 2.99Å; D331-T334 VanDerWaalsContact O-N 3.16Å; D331-L335 WeakPolarHBondContact O-CB 3.49Å; D331-L335 VanDerWaalsContact O-CG 3.3Å; D331-L335 WeakPolarHBondContact O-CG 3.44Å; D331-L335 PolarHBondContact O-N 3.17Å; D331-V341 HydrophobicContact CB-CG2 3.96Å
332	K	90.6	Very high	90.4	Very high	103 Å²	103	69.2 Å²	69.2	45%	0.448	34%	0.343	S	S	.	.	H	α-helix	trans	-57.3	-45.9	176.1	-176.1	176.4	174	-64.9	0	111.9	L335 E336	K332-L335 PolarHBondContact O-N 2.76Å; K332-E336 WeakPolarHBondContact CE-OE1 3.35Å; K332-E336 VanDerWaalsContact NZ-CD 3.3Å; K332-E336 IonicContact NZ-OE1 2.72Å; K332-E336 PolarHBondContact NZ-OE1 3.03Å; K332-E336 IonicContact NZ-OE2 2.77Å; K332-E336 PolarHBondContact NZ-OE2 2.76Å; K332-E336 WeakPolarHBondContact O-CB 3.32Å; K332-E336 VanDerWaalsContact O-CG 3.3Å; K332-E336 WeakPolarHBondContact O-CG 3.3Å; K332-E336 PolarHBondContact O-N 2.62Å
333	L	87.4	Confident	90.3	Very high	66 Å²	66	71.1 Å²	71.1	35%	0.346	35%	0.353	S	S	.	.	H	α-helix	trans	-65.6	-39	175.7	-72.4	168.6	0	0	0	112.3	Q329 A330 D331 L335 E336 D337	Q329-L333 WeakPolarHBondContact O-CB 3.4Å; Q329-L333 WeakPolarHBondContact O-CD1 3.45Å; Q329-L333 VanDerWaalsContact O-CG 3.22Å; Q329-L333 WeakPolarHBondContact O-CG 3.48Å; Q329-L333 PolarHBondContact O-N 2.78Å; A330-L333 PolarHBondContact O-N 3.02Å; D331-L333 PolarHBondContact O-N 3.46Å; L333-L335 VanDerWaalsContact C-N 3.34Å; L333-L335 PolarHBondContact O-N 3.49Å; L333-E336 PolarHBondContact O-N 3.3Å; L333-D337 PolarHBondContact O-N 3.41Å
334	T	87.4	Confident	90.1	Very high	13 Å²	13	75.1 Å²	75.1	8%	0.08	37%	0.37	C	S	.	.	H	α-helix	trans	-61.9	-42.2	176	-55.7	0	0	0	0	111.1	A330 D331 D337 G338 Q339 V341	A330-T334 WeakPolarHBondContact O-CB 3.38Å; A330-T334 PolarHBondContact O-N 2.91Å; A330-T334 PolarHBondContact O-OG1 3.03Å; D331-T334 WeakPolarHBondContact O-CB 3.48Å; D331-T334 PolarHBondContact O-N 2.99Å; D331-T334 VanDerWaalsContact O-N 3.16Å; T334-D337 WeakPolarHBondContact O-CB 3.46Å; T334-D337 PolarHBondContact O-N 3.45Å; T334-G338 PolarHBondContact O-N 3.4Å; T334-Q339 HydrophobicContact CG2-CB 3.73Å; T334-Q339 WeakPolarHBondContact O-CA 3.15Å; T334-Q339 WeakPolarHBondContact O-CB 3.23Å; T334-Q339 PolarHBondContact O-N 2.84Å; T334-V341 HydrophobicContact CG2-CG2 4.33Å
335	L	89.9	Confident	89.9	Confident	113 Å²	113	70.5 Å²	70.5	59%	0.592	35%	0.353	S	S	*	.	H	α-helix	trans	-72	-33.6	176.4	-67.7	168.9	0	0	0	112.5	D331 K332 L333 D337 G338 V341	D331-L335 WeakPolarHBondContact O-CB 3.49Å; D331-L335 VanDerWaalsContact O-CG 3.3Å; D331-L335 WeakPolarHBondContact O-CG 3.44Å; D331-L335 PolarHBondContact O-N 3.17Å; K332-L335 PolarHBondContact O-N 2.76Å; L333-L335 VanDerWaalsContact C-N 3.34Å; L333-L335 PolarHBondContact O-N 3.49Å; L335-D337 VanDerWaalsContact C-N 3.32Å; L335-G338 WeakPolarHBondContact O-CA 3.39Å; L335-G338 PolarHBondContact O-N 3.18Å; L335-V341 HydrophobicContact CG-CG2 4.5Å
336	E	87.6	Confident	89.8	Confident	124 Å²	124	70.5 Å²	70.5	58%	0.579	36%	0.359	S	S	*	.	H	α-helix	trans	-68.4	-28.5	174	-77.9	173.6	167.8	0	0	112.9	K332 L333 G338	K332-E336 WeakPolarHBondContact CE-OE1 3.35Å; K332-E336 VanDerWaalsContact NZ-CD 3.3Å; K332-E336 IonicContact NZ-OE1 2.72Å; K332-E336 PolarHBondContact NZ-OE1 3.03Å; K332-E336 IonicContact NZ-OE2 2.77Å; K332-E336 PolarHBondContact NZ-OE2 2.76Å; K332-E336 WeakPolarHBondContact O-CB 3.32Å; K332-E336 VanDerWaalsContact O-CG 3.3Å; K332-E336 WeakPolarHBondContact O-CG 3.3Å; K332-E336 PolarHBondContact O-N 2.62Å; L333-E336 PolarHBondContact O-N 3.3Å; E336-G338 PolarHBondContact O-N 2.97Å
337	D	81.2	Confident	89.4	Confident	44 Å²	44	73.6 Å²	73.6	24%	0.235	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-10.9	166.5	-90	-23	0	0	0	113.6	L333 T334 L335 Q339 S692	L333-D337 PolarHBondContact O-N 3.41Å; T334-D337 WeakPolarHBondContact O-CB 3.46Å; T334-D337 PolarHBondContact O-N 3.45Å; L335-D337 VanDerWaalsContact C-N 3.32Å; D337-Q339 HydrophobicContact CB-CB 4.49Å; D337-Q339 HydrophobicContact CB-CG 4.15Å; D337-Q339 PolarHBondContact O-N 2.95Å; D337-S692 VanDerWaalsContact CG-CB 3.49Å; D337-S692 VanDerWaalsContact CG-N 3.28Å; D337-S692 WeakPolarHBondContact OD1-CB 3.45Å; D337-S692 PolarHBondContact OD1-N 2.96Å; D337-S692 WeakPolarHBondContact OD2-CA 3.11Å; D337-S692 WeakPolarHBondContact OD2-CB 3.41Å; D337-S692 PolarHBondContact OD2-N 2.99Å; D337-S692 PolarHBondContact OD2-OG 2.66Å
338	G	84.6	Confident	88.9	Confident	68 Å²	68	75.7 Å²	75.7	70%	0.701	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	12.2	-169.5	0	0	0	0	0	114.1	T334 L335 E336	T334-G338 PolarHBondContact O-N 3.4Å; L335-G338 WeakPolarHBondContact O-CA 3.39Å; L335-G338 PolarHBondContact O-N 3.18Å; E336-G338 PolarHBondContact O-N 2.97Å
339	Q	85.4	Confident	88.8	Confident	72 Å²	72	69.6 Å²	69.6	34%	0.336	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-81.8	158.4	172.9	-67.4	-171.5	-19.6	0	0	110.8	T334 D337	T334-Q339 HydrophobicContact CG2-CB 3.73Å; T334-Q339 WeakPolarHBondContact O-CA 3.15Å; T334-Q339 WeakPolarHBondContact O-CB 3.23Å; T334-Q339 PolarHBondContact O-N 2.84Å; D337-Q339 HydrophobicContact CB-CB 4.49Å; D337-Q339 HydrophobicContact CB-CG 4.15Å; D337-Q339 PolarHBondContact O-N 2.95Å
340	R	88.3	Confident	88.4	Confident	216 Å²	216	71.9 Å²	71.9	82%	0.815	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-90	143.1	171.6	-68.5	-178.9	179.6	-88.8	-3.3	109.1	T342	R340-T342 HydrophobicContact CB-CG2 4.48Å; R340-T342 PolarHBondContact O-N 3.48Å
341	V	91.2	Very high	87.9	Confident	36 Å²	36	73.9 Å²	73.9	22%	0.218	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-67.2	117.7	167	-178.3	0	0	0	0	108.2	N294 L296 D331 T334 L335	N294-V341 HydrophobicContact CB-CG1 3.84Å; L296-V341 HydrophobicContact CD1-CG1 3.91Å; L296-V341 HydrophobicContact CG-CG1 3.95Å; D331-V341 HydrophobicContact CB-CG2 3.96Å; T334-V341 HydrophobicContact CG2-CG2 4.33Å; L335-V341 HydrophobicContact CG-CG2 4.5Å
342	T	92.6	Very high	87.5	Confident	67 Å²	67	75.5 Å²	75.5	41%	0.411	39%	0.394	S	S	.	.			trans	-125.6	150.4	179.3	54	0	0	0	0	110.2	N294 R340 E344	N294-T342 PolarHBondContact ND2-O 2.86Å; R340-T342 HydrophobicContact CB-CG2 4.48Å; R340-T342 PolarHBondContact O-N 3.48Å; T342-E344 WeakPolarHBondContact CB-O 3.47Å; T342-E344 PolarHBondContact OG1-O 3.5Å
343	L	91.8	Very high	87.4	Confident	40 Å²	40	72.4 Å²	72.4	21%	0.209	38%	0.381	C	S	.	.	S	Bend	trans	-68	-54.9	173.8	-179.6	60.8	0	0	0	110.3	V225 V227 L296 Q297 H300	V225-L343 HydrophobicContact CB-CD1 3.86Å; V225-L343 HydrophobicContact CB-CD2 4.35Å; V225-L343 HydrophobicContact CB-CG 3.89Å; V225-L343 HydrophobicContact CG1-CD1 4.09Å; V225-L343 HydrophobicContact CG2-CD1 4.34Å; V225-L343 HydrophobicContact CG2-CG 4Å; V227-L343 HydrophobicContact CG2-CD2 4.15Å; L296-L343 HydrophobicContact CB-CD1 4.41Å; Q297-L343 HydrophobicContact CG-CD1 4.48Å; Q297-L343 WeakPolarHBondContact CG-O 3.49Å; Q297-L343 PolarHBondContact NE2-O 3.34Å; H300-L343 HydrophobicContact CB-CD1 3.63Å
344	E	91.7	Very high	87.6	Confident	101 Å²	101	73.3 Å²	73.3	47%	0.472	39%	0.385	S	S	.	.	S	Bend	trans	-78.8	150.3	177.6	-67.8	169.6	-164	0	0	112.3	N222 V225 T342	N222-E344 HydrophobicContact CB-CG 4.44Å; V225-E344 HydrophobicContact CG2-CG 4.25Å; T342-E344 WeakPolarHBondContact CB-O 3.47Å; T342-E344 PolarHBondContact OG1-O 3.5Å
345	E	90.6	Very high	87.7	Confident	23 Å²	23	74.8 Å²	74.8	11%	0.107	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-78.1	154.6	165	-69.9	-57.8	120.8	0	0	111.6	F221 N222 R268 Q297	F221-E345 HydrophobicContact CB-CG 4.48Å; F221-E345 HydrophobicContact CD1-CG 3.74Å; F221-E345 HydrophobicContact CE1-CG 4.27Å; F221-E345 HydrophobicContact CG-CG 4.15Å; N222-E345 PolarHBondContact ND2-O 2.85Å; N222-E345 PolarHBondContact OD1-N 3.39Å; R268-E345 WeakPolarHBondContact CD-OE1 3.16Å; R268-E345 WeakPolarHBondContact CD-OE2 3.41Å; R268-E345 IonicContact CZ-OE1 3.25Å; R268-E345 IonicContact CZ-OE2 3.72Å; R268-E345 IonicContact NE-OE1 3.83Å; R268-E345 PolarHBondContact NE-OE1 3.18Å; R268-E345 IonicContact NE-OE2 2.78Å; R268-E345 PolarHBondContact NE-OE2 3.42Å; R268-E345 IonicContact NH1-OE1 2.69Å; R268-E345 PolarHBondContact NH1-OE1 3.25Å; R268-E345 IonicContact NH2-OE1 3.9Å; R268-E345 IonicContact NH2-OE2 2.81Å; Q297-E345 PolarHBondContact NE2-OE1 3.12Å
346	S	89.8	Confident	87.7	Confident	64 Å²	64	70.3 Å²	70.3	45%	0.448	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-64.7	135.4	174.6	-62.8	0	0	0	0	111.3	H214 A218 E348	H214-S346 PolarHBondContact NE2-O 3.24Å; H214-S346 VanDerWaalsContact NE2-O 3.14Å; A218-S346 WeakPolarHBondContact CB-O 3.05Å; S346-E348 VanDerWaalsContact C-N 3.27Å
347	D	86.3	Confident	87.5	Confident	69 Å²	69	72 Å²	72	37%	0.369	38%	0.378	S	S	.	.	S	Bend	trans	-76.2	-18.2	174	-134	17.9	0	0	0	112	R164	R164-D347 IonicContact CZ-OD1 3.11Å; R164-D347 IonicContact CZ-OD2 3.88Å; R164-D347 IonicContact NH1-OD2 2.73Å; R164-D347 IonicContact NH2-OD1 3.71Å; R164-D347 PolarHBondContact NH2-OD1 2.96Å; R164-D347 IonicContact NH2-OD2 3.27Å; R164-D347 PolarHBondContact NH2-OD2 3.36Å
348	E	85.4	Confident	87.7	Confident	143 Å²	143	75.2 Å²	75.2	67%	0.668	40%	0.395	S	S	*	.	S	Bend	trans	-109.8	129.9	176.1	-67.9	-168	177.2	0	0	112.1	S346 N350	S346-E348 VanDerWaalsContact C-N 3.27Å; E348-N350 PolarHBondContact O-N 3.48Å; E348-N350 PolarHBondContact O-ND2 2.96Å
349	L	88.6	Confident	87.4	Confident	22 Å²	22	72.7 Å²	72.7	12%	0.115	37%	0.369	C	S	.	.			trans	-77.5	102.7	176.7	-169.7	55.7	0	0	0	110.9	H211 H214 L351 Y694	H211-L349 HydrophobicContact CB-CD2 4.36Å; H214-L349 HydrophobicContact CB-CD1 4Å; H214-L349 HydrophobicContact CB-CD2 3.98Å; H214-L349 HydrophobicContact CB-CG 4.39Å; L349-L351 HydrophobicContact CD1-CG 4.37Å; L349-L351 HydrophobicContact CD2-CD1 3.82Å; L349-L351 HydrophobicContact CD2-CG 4.34Å; L349-L351 HydrophobicContact CG-CB 4.42Å; L349-L351 HydrophobicContact CG-CD1 4.05Å; L349-L351 HydrophobicContact CG-CG 4Å; L349-L351 PolarHBondContact O-N 3.38Å; L349-Y694 WeakPolarHBondContact CD1-OH 3.37Å
350	N	80.6	Confident	87.5	Confident	106 Å²	106	69.4 Å²	69.4	57%	0.567	35%	0.353	S	S	*	.			trans	-76.9	53.7	-177.6	-78.8	-84.2	0	0	0	113.3	E348	E348-N350 PolarHBondContact O-N 3.48Å; E348-N350 PolarHBondContact O-ND2 2.96Å
351	L	80.9	Confident	87.3	Confident	45 Å²	45	61.2 Å²	61.2	24%	0.236	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-96.9	137.3	170.4	-77.2	-179.7	0	0	0	111	L349 F353 L690 Y694	L349-L351 HydrophobicContact CD1-CG 4.37Å; L349-L351 HydrophobicContact CD2-CD1 3.82Å; L349-L351 HydrophobicContact CD2-CG 4.34Å; L349-L351 HydrophobicContact CG-CB 4.42Å; L349-L351 HydrophobicContact CG-CD1 4.05Å; L349-L351 HydrophobicContact CG-CG 4Å; L349-L351 PolarHBondContact O-N 3.38Å; L351-F353 PolarHBondContact O-N 3.06Å; L351-L690 HydrophobicContact CD2-CD2 3.52Å; L351-Y694 HydrophobicContact CD1-CE1 4.22Å; L351-Y694 HydrophobicContact CD2-CD1 4.5Å; L351-Y694 HydrophobicContact CD2-CD2 3.94Å; L351-Y694 HydrophobicContact CD2-CE1 4.19Å; L351-Y694 HydrophobicContact CD2-CE2 3.56Å; L351-Y694 HydrophobicContact CD2-CG 4.4Å; L351-Y694 HydrophobicContact CG-CE2 4.13Å
352	P	84.8	Confident	86.8	Confident	50 Å²	50	60 Å²	60	33%	0.325	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-61.7	126.8	165.2	-18.5	31.6	0	0	0	110.1	L354	P352-L354 PolarHBondContact O-N 3.32Å
353	F	90.3	Very high	85.9	Confident	39 Å²	39	59.9 Å²	59.9	17%	0.171	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-64.2	130.6	173.9	177.8	-110.6	0	0	0	110.7	I148 E149 F152 L204 L351 I355	I148-F353 HydrophobicContact CG2-CE1 3.96Å; I148-F353 HydrophobicContact CG2-CZ 3.84Å; E149-F353 HydrophobicContact CB-CD1 3.54Å; E149-F353 HydrophobicContact CB-CE1 3.85Å; E149-F353 HydrophobicContact CB-CG 4.23Å; E149-F353 HydrophobicContact CG-CB 3.88Å; E149-F353 HydrophobicContact CG-CD1 3.62Å; E149-F353 HydrophobicContact CG-CE1 4.35Å; E149-F353 HydrophobicContact CG-CG 3.82Å; F152-F353 HydrophobicContact CB-CD2 4.36Å; F152-F353 HydrophobicContact CB-CE2 3.79Å; F152-F353 HydrophobicContact CB-CZ 4.17Å; F152-F353 AromaticContact CD1-CD2 3.81Å; F152-F353 HydrophobicContact CD1-CD2 3.81Å; F152-F353 AromaticContact CD1-CE2 3.91Å; F152-F353 HydrophobicContact CD1-CE2 3.91Å; F152-F353 HydrophobicContact CD2-CD2 4.44Å; F152-F353 AromaticContact CD2-CE2 3.78Å; F152-F353 HydrophobicContact CD2-CE2 3.78Å; F152-F353 HydrophobicContact CE1-CD2 4.22Å; F152-F353 HydrophobicContact CE1-CE2 4.48Å; F152-F353 HydrophobicContact CE2-CE2 4.35Å; F152-F353 AromaticContact CG-CD2 3.94Å; F152-F353 HydrophobicContact CG-CD2 3.94Å; F152-F353 AromaticContact CG-CE2 3.53Å; F152-F353 HydrophobicContact CG-CE2 3.53Å; F152-F353 HydrophobicContact CG-CZ 4.38Å; L204-F353 HydrophobicContact CD2-CE2 3.7Å; L204-F353 HydrophobicContact CD2-CZ 3.71Å; L351-F353 PolarHBondContact O-N 3.06Å; F353-I355 HydrophobicContact CD1-CG1 4.27Å; F353-I355 HydrophobicContact CE1-CD1 4.29Å; F353-I355 HydrophobicContact CE1-CG1 3.57Å; F353-I355 HydrophobicContact CZ-CG1 4.26Å
354	L	90.9	Very high	84.8	Confident	84 Å²	84	62.5 Å²	62.5	44%	0.44	32%	0.323	S	S	.	.			trans	-117	117.3	-179	-59.8	-179.8	0	0	0	110.9	Q207 P352 P356 V686	Q207-L354 PolarHBondContact NE2-O 2.96Å; Q207-L354 PolarHBondContact OE1-O 3.48Å; P352-L354 PolarHBondContact O-N 3.32Å; L354-P356 WeakPolarHBondContact O-CD 3.46Å; L354-V686 HydrophobicContact CD2-CG1 3.91Å
355	I	89.9	Confident	83.5	Confident	45 Å²	45	62 Å²	62	23%	0.231	32%	0.319	C	S	.	.			trans	-75.5	125.7	164.2	-58.7	-179.5	0	0	0	107.6	I148 F353	I148-I355 HydrophobicContact CB-CD1 4.46Å; I148-I355 HydrophobicContact CD1-CD1 4.12Å; I148-I355 HydrophobicContact CG2-CD1 4.47Å; F353-I355 HydrophobicContact CD1-CG1 4.27Å; F353-I355 HydrophobicContact CE1-CD1 4.29Å; F353-I355 HydrophobicContact CE1-CG1 3.57Å; F353-I355 HydrophobicContact CZ-CG1 4.26Å
356	P	89.7	Confident	82.2	Confident	18 Å²	18	71.4 Å²	71.4	12%	0.117	35%	0.354	C	S	.	.			trans	-56.5	155.8	173.6	-18.8	26.6	0	0	0	112.2	N201 A203 L204 L354 Y360	N201-P356 HydrophobicContact CB-CG 4.16Å; N201-P356 VanDerWaalsContact CG-CG 3.47Å; N201-P356 WeakPolarHBondContact OD1-CB 3.39Å; N201-P356 WeakPolarHBondContact OD1-CG 3.47Å; A203-P356 HydrophobicContact CB-CB 4.45Å; A203-P356 HydrophobicContact CB-CG 4.12Å; L204-P356 HydrophobicContact CD1-CG 4.26Å; L204-P356 HydrophobicContact CD2-CG 4.46Å; L204-P356 HydrophobicContact CG-CG 3.77Å; L354-P356 WeakPolarHBondContact O-CD 3.46Å; P356-Y360 HydrophobicContact CB-CE2 3.78Å; P356-Y360 WeakPolarHBondContact CD-OH 3.17Å; P356-Y360 HydrophobicContact CG-CE2 4.44Å
357	Q	83.9	Confident	81.3	Confident	159 Å²	159	73.1 Å²	73.1	74%	0.743	36%	0.362	S	S	*	.	S	Bend	trans	-105.5	-33.5	175	-65.4	-177.7	14.6	0	0	111.8	H128	H128-Q357 PolarHBondContact CE1-O 2.75Å; H128-Q357 VanDerWaalsContact CE1-O 3.27Å; H128-Q357 PolarHBondContact ND1-O 3.23Å
358	D	83.6	Confident	80.9	Confident	113 Å²	113	71.2 Å²	71.2	60%	0.604	35%	0.352	S	S	*	.	S	Bend	trans	-127.8	168.9	-178.2	-40.3	-75.6	0	0	0	109.7	N201 E363	N201-D358 PolarHBondContact ND2-O 3.01Å; D358-E363 VanDerWaalsContact CA-OE2 3.26Å; D358-E363 WeakPolarHBondContact CA-OE2 3.5Å
359	G	79.6	Confident	80.8	Confident	14 Å²	14	65.6 Å²	65.6	14%	0.144	33%	0.328	C	S	.	.			trans	86.2	26.6	179.8	0	0	0	0	0	113.8	N201 E363	N201-G359 PolarHBondContact ND2-O 3.45Å; G359-E363 PolarHBondContact N-OE2 3.28Å
360	Y	87.7	Confident	80.5	Confident	3 Å²	3	70.6 Å²	70.6	1%	0.012	36%	0.355	C	S	.	.			trans	-95.3	156.3	175.4	-75.5	-83.6	0	0	0	111.3	S124 E125 H128 N201 P356 V362 E363	S124-Y360 WeakPolarHBondContact O-CE1 3.15Å; E125-Y360 HydrophobicContact CB-CD1 4.35Å; E125-Y360 WeakPolarHBondContact OE2-CD1 3.41Å; H128-Y360 HydrophobicContact CB-CD1 4.01Å; H128-Y360 HydrophobicContact CB-CD2 3.85Å; H128-Y360 HydrophobicContact CB-CE1 4.15Å; H128-Y360 HydrophobicContact CB-CE2 3.94Å; H128-Y360 HydrophobicContact CB-CG 3.84Å; H128-Y360 AromaticContact CD2-CD2 3.96Å; H128-Y360 AromaticContact CD2-CG 3.8Å; H128-Y360 AromaticContact CE1-CD2 3.48Å; H128-Y360 VanDerWaalsContact CE1-CD2 3.48Å; H128-Y360 WeakPolarHBondContact CE1-CD2 3.27Å; H128-Y360 AromaticContact CG-CD2 3.39Å; H128-Y360 AromaticContact CG-CE2 3.89Å; H128-Y360 AromaticContact CG-CG 3.54Å; H128-Y360 AromaticContact ND1-CD2 3.07Å; H128-Y360 WeakPolarHBondContact ND1-CD2 3.41Å; H128-Y360 AromaticContact ND1-CE2 3.52Å; H128-Y360 AromaticContact ND1-CG 3.72Å; N201-Y360 HydrophobicContact CB-CE1 4.29Å; P356-Y360 HydrophobicContact CB-CE2 3.78Å; P356-Y360 WeakPolarHBondContact CD-OH 3.17Å; P356-Y360 HydrophobicContact CG-CE2 4.44Å; Y360-V362 PolarHBondContact O-N 3.39Å; Y360-E363 PolarHBondContact N-OE2 2.97Å; Y360-E363 WeakPolarHBondContact O-CB 3.13Å; Y360-E363 PolarHBondContact O-N 3.17Å
361	F	84.1	Confident	80.7	Confident	44 Å²	44	65.9 Å²	65.9	19%	0.193	33%	0.332	C	S	.	.	H	α-helix	trans	-61.3	-35.5	-168.7	-171.2	-81.4	0	0	0	112.1	F69 L71 E125 E363 Q364 F365 P369	F69-F361 HydrophobicContact CD2-CZ 4.4Å; F69-F361 AromaticContact CE2-CD1 3.81Å; F69-F361 HydrophobicContact CE2-CD1 3.81Å; F69-F361 HydrophobicContact CE2-CD2 4.02Å; F69-F361 AromaticContact CE2-CE1 3.57Å; F69-F361 HydrophobicContact CE2-CE1 3.57Å; F69-F361 AromaticContact CE2-CE2 3.76Å; F69-F361 HydrophobicContact CE2-CE2 3.76Å; F69-F361 HydrophobicContact CE2-CG 4.05Å; F69-F361 AromaticContact CE2-CZ 3.53Å; F69-F361 HydrophobicContact CE2-CZ 3.53Å; F69-F361 AromaticContact CZ-CD1 3.68Å; F69-F361 HydrophobicContact CZ-CD1 3.68Å; F69-F361 AromaticContact CZ-CE1 3.74Å; F69-F361 HydrophobicContact CZ-CE1 3.74Å; F69-F361 HydrophobicContact CZ-CG 4.12Å; F69-F361 HydrophobicContact CZ-CZ 4.2Å; L71-F361 HydrophobicContact CD1-CB 3.59Å; L71-F361 HydrophobicContact CD1-CD2 4.38Å; L71-F361 HydrophobicContact CD1-CG 4.08Å; E125-F361 PolarHBondContact OE1-N 3.16Å; E125-F361 PolarHBondContact OE2-N 2.78Å; F361-E363 PolarHBondContact O-N 3.04Å; F361-E363 VanDerWaalsContact O-N 3.16Å; F361-Q364 PolarHBondContact O-N 2.89Å; F361-Q364 VanDerWaalsContact O-N 3.13Å; F361-F365 AromaticContact CD1-CD2 3.92Å; F361-F365 HydrophobicContact CD1-CD2 3.92Å; F361-F365 HydrophobicContact CD2-CD2 4.16Å; F361-F365 HydrophobicContact CD2-CE2 4.08Å; F361-F365 HydrophobicContact CE1-CB 4.11Å; F361-F365 AromaticContact CE1-CD2 3.38Å; F361-F365 HydrophobicContact CE1-CD2 3.38Å; F361-F365 HydrophobicContact CE1-CE2 4.03Å; F361-F365 AromaticContact CE1-CG 3.86Å; F361-F365 HydrophobicContact CE1-CG 3.86Å; F361-F365 AromaticContact CE2-CD2 3.68Å; F361-F365 HydrophobicContact CE2-CD2 3.68Å; F361-F365 AromaticContact CE2-CE2 3.43Å; F361-F365 HydrophobicContact CE2-CE2 3.43Å; F361-F365 VanDerWaalsContact CE2-CE2 3.43Å; F361-F365 HydrophobicContact CE2-CZ 4.28Å; F361-F365 HydrophobicContact CG-CD2 4.27Å; F361-F365 AromaticContact CZ-CD2 3.25Å; F361-F365 HydrophobicContact CZ-CD2 3.25Å; F361-F365 AromaticContact CZ-CE2 3.39Å; F361-F365 HydrophobicContact CZ-CE2 3.39Å; F361-F365 AromaticContact CZ-CG 3.9Å; F361-F365 HydrophobicContact CZ-CG 3.9Å; F361-F365 HydrophobicContact CZ-CZ 4.12Å; F361-F365 PolarHBondContact O-N 3.31Å; F361-P369 HydrophobicContact CE1-CG 3.62Å; F361-P369 HydrophobicContact CZ-CG 4.18Å
362	V	79.6	Confident	81	Confident	12 Å²	12	63.8 Å²	63.8	7%	0.073	32%	0.321	C	S	.	.	H	α-helix	trans	-65.2	-16.8	179.2	82.3	0	0	0	0	114.3	L35 L37 Y75 E125 L129 Y360	L35-V362 HydrophobicContact CD1-CG1 4.24Å; L35-V362 HydrophobicContact CD1-CG2 4.14Å; L35-V362 HydrophobicContact CD2-CB 4.45Å; L35-V362 HydrophobicContact CD2-CG1 3.74Å; L35-V362 HydrophobicContact CD2-CG2 3.9Å; L35-V362 HydrophobicContact CG-CG2 4.24Å; L37-V362 HydrophobicContact CD2-CG2 4.02Å; Y75-V362 HydrophobicContact CE1-CG2 4.27Å; Y75-V362 VanDerWaalsContact OH-CA 3.32Å; Y75-V362 WeakPolarHBondContact OH-CA 3.35Å; Y75-V362 VanDerWaalsContact OH-CB 3.26Å; Y75-V362 WeakPolarHBondContact OH-CB 3.49Å; Y75-V362 PolarHBondContact OH-N 3.09Å; E125-V362 PolarHBondContact OE1-N 2.82Å; L129-V362 HydrophobicContact CD2-CB 3.9Å; L129-V362 HydrophobicContact CD2-CG1 4Å; L129-V362 HydrophobicContact CD2-CG2 3.73Å; Y360-V362 PolarHBondContact O-N 3.39Å
363	E	75.3	Confident	81	Confident	64 Å²	64	64.8 Å²	64.8	30%	0.299	32%	0.318	S	S	.	.	H	α-helix	trans	-87	-26	177.6	-53.2	-173.1	134.7	0	0	112	H128 R132 D358 G359 Y360 F361	H128-E363 IonicContact CE1-OE1 3.82Å; H128-E363 PolarHBondContact CE1-OE1 3.47Å; H128-E363 IonicContact NE2-OE1 3.68Å; H128-E363 PolarHBondContact NE2-OE1 3.07Å; R132-E363 IonicContact CZ-OE1 2.6Å; R132-E363 IonicContact NH1-OE1 3.12Å; R132-E363 PolarHBondContact NH1-OE1 3.06Å; D358-E363 VanDerWaalsContact CA-OE2 3.26Å; D358-E363 WeakPolarHBondContact CA-OE2 3.5Å; G359-E363 PolarHBondContact N-OE2 3.28Å; Y360-E363 PolarHBondContact N-OE2 2.97Å; Y360-E363 WeakPolarHBondContact O-CB 3.13Å; Y360-E363 PolarHBondContact O-N 3.17Å; F361-E363 PolarHBondContact O-N 3.04Å; F361-E363 VanDerWaalsContact O-N 3.16Å
364	Q	68.8	Low	80.8	Confident	95 Å²	95	67.3 Å²	67.3	44%	0.444	33%	0.33	S	S	.	.	H	α-helix	trans	-84.9	-26.1	-176.6	-63.9	175	-10.4	0	0	112.1	F361 E1072	F361-Q364 PolarHBondContact O-N 2.89Å; F361-Q364 VanDerWaalsContact O-N 3.13Å; Q364-E1072 PolarHBondContact NE2-OE1 3.3Å
365	F	63.7	Low	80.7	Confident	89 Å²	89	63.6 Å²	63.6	39%	0.39	31%	0.31	S	S	.	.			trans	-124.9	125.1	-174.8	-65.3	-88.6	0	0	0	113.5	F361	F361-F365 AromaticContact CD1-CD2 3.92Å; F361-F365 HydrophobicContact CD1-CD2 3.92Å; F361-F365 HydrophobicContact CD2-CD2 4.16Å; F361-F365 HydrophobicContact CD2-CE2 4.08Å; F361-F365 HydrophobicContact CE1-CB 4.11Å; F361-F365 AromaticContact CE1-CD2 3.38Å; F361-F365 HydrophobicContact CE1-CD2 3.38Å; F361-F365 HydrophobicContact CE1-CE2 4.03Å; F361-F365 AromaticContact CE1-CG 3.86Å; F361-F365 HydrophobicContact CE1-CG 3.86Å; F361-F365 AromaticContact CE2-CD2 3.68Å; F361-F365 HydrophobicContact CE2-CD2 3.68Å; F361-F365 AromaticContact CE2-CE2 3.43Å; F361-F365 HydrophobicContact CE2-CE2 3.43Å; F361-F365 VanDerWaalsContact CE2-CE2 3.43Å; F361-F365 HydrophobicContact CE2-CZ 4.28Å; F361-F365 HydrophobicContact CG-CD2 4.27Å; F361-F365 AromaticContact CZ-CD2 3.25Å; F361-F365 HydrophobicContact CZ-CD2 3.25Å; F361-F365 AromaticContact CZ-CE2 3.39Å; F361-F365 HydrophobicContact CZ-CE2 3.39Å; F361-F365 AromaticContact CZ-CG 3.9Å; F361-F365 HydrophobicContact CZ-CG 3.9Å; F361-F365 HydrophobicContact CZ-CZ 4.12Å; F361-F365 PolarHBondContact O-N 3.31Å
366	R	62.4	Low	80.6	Confident	222 Å²	222	61.4 Å²	61.4	84%	0.838	30%	0.299	S	S	*	.	S	Bend	trans	-87.9	-1.6	176.1	-71.9	-173.1	175.9	-106.9	1.9	114.4	E33	E33-R366 IonicContact OE2-NH1 3.21Å
367	T	70.4	Confident	80.5	Confident	100 Å²	100	64.2 Å²	64.2	61%	0.613	31%	0.311	S	S	*	.	S	Bend	trans	-125.8	158.2	-175.5	51.2	0	0	0	0	111.1	P369	T367-P369 WeakPolarHBondContact O-CD 3.48Å
368	V	79	Confident	80.6	Confident	28 Å²	28	60 Å²	60	17%	0.17	29%	0.291	C	S	.	.			trans	-62.5	129.8	173.2	179.9	0	0	0	0	109.8	P38 L39 W373 L390	P38-V368 HydrophobicContact CG-CG2 4.01Å; L39-V368 HydrophobicContact CD1-CB 4.45Å; L39-V368 HydrophobicContact CD1-CG1 3.76Å; L39-V368 HydrophobicContact CD1-CG2 3.8Å; L39-V368 HydrophobicContact CD2-CG2 4.18Å; L39-V368 HydrophobicContact CG-CG1 4.37Å; L39-V368 HydrophobicContact CG-CG2 3.65Å; V368-W373 HydrophobicContact CG1-CB 4.19Å; V368-L390 HydrophobicContact CG2-CD2 4.14Å
369	P	83.1	Confident	80.8	Confident	25 Å²	25	54.9 Å²	54.9	16%	0.162	26%	0.264	C	S	.	.			trans	-70.3	133.8	169.4	-20.8	35	0	0	0	111.1	F69 F361 T367 G371 L372 W373	F69-P369 HydrophobicContact CD2-CB 4.35Å; F69-P369 HydrophobicContact CE1-CG 4.39Å; F69-P369 HydrophobicContact CE2-CB 4.47Å; F69-P369 HydrophobicContact CE2-CG 4.25Å; F69-P369 HydrophobicContact CG-CB 4.44Å; F69-P369 HydrophobicContact CZ-CG 4.12Å; F361-P369 HydrophobicContact CE1-CG 3.62Å; F361-P369 HydrophobicContact CZ-CG 4.18Å; T367-P369 WeakPolarHBondContact O-CD 3.48Å; P369-G371 PolarHBondContact O-N 2.64Å; P369-G371 VanDerWaalsContact O-N 3.17Å; P369-L372 HydrophobicContact CB-CB 4.28Å; P369-L372 WeakPolarHBondContact O-CB 3.39Å; P369-L372 PolarHBondContact O-N 2.87Å; P369-W373 PolarHBondContact O-N 2.95Å; P369-W373 VanDerWaalsContact O-N 3.12Å
370	D	81.5	Confident	81.3	Confident	127 Å²	127	57.7 Å²	57.7	68%	0.679	27%	0.273	S	S	*	.	H	α-helix	trans	-56.6	-35.8	179.9	-65.1	-52.6	0	0	0	112.6	L372 W373 Q374	D370-L372 PolarHBondContact O-N 3.07Å; D370-W373 PolarHBondContact O-N 2.97Å; D370-Q374 WeakPolarHBondContact O-CB 3.44Å; D370-Q374 VanDerWaalsContact O-CG 3.22Å; D370-Q374 WeakPolarHBondContact O-CG 3.3Å; D370-Q374 PolarHBondContact O-N 3.05Å
371	G	84.9	Confident	81.2	Confident	8 Å²	8	64.7 Å²	64.7	8%	0.082	31%	0.306	C	S	.	.	H	α-helix	trans	-66.7	-31.1	175.9	0	0	0	0	0	114.4	T68 P369 Y375	T68-G371 WeakPolarHBondContact OG1-CA 3.39Å; P369-G371 PolarHBondContact O-N 2.64Å; P369-G371 VanDerWaalsContact O-N 3.17Å; G371-Y375 WeakPolarHBondContact O-CB 3.5Å; G371-Y375 PolarHBondContact O-N 2.88Å
372	L	87.1	Confident	81.4	Confident	1 Å²	1	68 Å²	68	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-69.2	-44.1	171.1	175.9	61.5	0	0	0	110.2	L39 F69 Y75 P369 D370 Y375 L376	L39-L372 HydrophobicContact CD1-CD2 4.06Å; F69-L372 HydrophobicContact CD1-CB 3.78Å; F69-L372 HydrophobicContact CD1-CD1 4.49Å; F69-L372 HydrophobicContact CE1-CB 4.17Å; Y75-L372 HydrophobicContact CD1-CD2 3.61Å; Y75-L372 HydrophobicContact CG-CD1 4.41Å; Y75-L372 HydrophobicContact CG-CD2 3.9Å; P369-L372 HydrophobicContact CB-CB 4.28Å; P369-L372 WeakPolarHBondContact O-CB 3.39Å; P369-L372 PolarHBondContact O-N 2.87Å; D370-L372 PolarHBondContact O-N 3.07Å; L372-Y375 PolarHBondContact O-N 3Å; L372-L376 HydrophobicContact CD1-CD1 4.11Å; L372-L376 HydrophobicContact CD1-CG 4.19Å; L372-L376 HydrophobicContact CG-CD1 4.06Å; L372-L376 WeakPolarHBondContact O-CB 3.38Å; L372-L376 VanDerWaalsContact O-CG 3.31Å; L372-L376 WeakPolarHBondContact O-CG 3.3Å; L372-L376 PolarHBondContact O-N 3.16Å
373	W	85.5	Confident	81.8	Confident	71 Å²	71	76.8 Å²	76.8	27%	0.269	35%	0.349	S	S	.	.	H	α-helix	trans	-61.4	-46.2	177.3	179.7	-97.4	0	0	0	111.8	L39 V368 P369 D370 Y375 L376 Q377 V388 L390	L39-W373 HydrophobicContact CD2-CE3 3.73Å; L39-W373 HydrophobicContact CD2-CZ3 3.64Å; V368-W373 HydrophobicContact CG1-CB 4.19Å; P369-W373 PolarHBondContact O-N 2.95Å; P369-W373 VanDerWaalsContact O-N 3.12Å; D370-W373 PolarHBondContact O-N 2.97Å; W373-Y375 PolarHBondContact O-N 2.86Å; W373-L376 PolarHBondContact O-N 3.09Å; W373-Q377 VanDerWaalsContact NE1-NE2 3.11Å; W373-Q377 WeakPolarHBondContact O-CG 3.26Å; W373-Q377 PolarHBondContact O-N 3.49Å; W373-V388 HydrophobicContact CE3-CG1 4Å; W373-V388 HydrophobicContact CH2-CB 4.47Å; W373-V388 HydrophobicContact CH2-CG1 4.09Å; W373-V388 HydrophobicContact CZ3-CB 4.37Å; W373-V388 HydrophobicContact CZ3-CG1 3.52Å; W373-L390 HydrophobicContact CZ3-CD2 4.43Å; W373-L390 HydrophobicContact CZ3-CG 4.35Å
374	Q	86.6	Confident	82.3	Confident	91 Å²	91	74.5 Å²	74.5	43%	0.425	34%	0.338	S	S	.	.	H	α-helix	trans	-58.2	-45.9	175	-72.4	165.7	9.8	0	0	112	T68 D370 Q377 Q378	T68-Q374 PolarHBondContact OG1-OE1 3.47Å; D370-Q374 WeakPolarHBondContact O-CB 3.44Å; D370-Q374 VanDerWaalsContact O-CG 3.22Å; D370-Q374 WeakPolarHBondContact O-CG 3.3Å; D370-Q374 PolarHBondContact O-N 3.05Å; Q374-Q377 WeakPolarHBondContact O-CB 3.35Å; Q374-Q377 PolarHBondContact O-N 3.34Å; Q374-Q378 WeakPolarHBondContact O-CG 3.08Å; Q374-Q378 PolarHBondContact O-N 2.89Å
375	Y	88.2	Confident	83.2	Confident	6 Å²	6	70 Å²	70	2%	0.024	32%	0.318	C	S	.	.	H	α-helix	trans	-61.3	-46.2	176.7	179.1	-100.1	0	0	0	112.3	M66 S76 G371 L372 W373 Q377 Q378 L379	M66-Y375 HydrophobicContact CG-CD2 4.38Å; M66-Y375 HydrophobicContact CG-CE2 4.17Å; M66-Y375 WeakPolarHBondContact O-CD2 3.4Å; S76-Y375 WeakPolarHBondContact OG-CE1 3.49Å; G371-Y375 WeakPolarHBondContact O-CB 3.5Å; G371-Y375 PolarHBondContact O-N 2.88Å; L372-Y375 PolarHBondContact O-N 3Å; W373-Y375 PolarHBondContact O-N 2.86Å; Y375-Q377 VanDerWaalsContact C-N 3.31Å; Y375-Q377 PolarHBondContact O-N 3.2Å; Y375-Q378 WeakPolarHBondContact O-CB 3.42Å; Y375-Q378 PolarHBondContact O-N 2.97Å; Y375-Q378 VanDerWaalsContact O-N 3.12Å; Y375-L379 HydrophobicContact CD1-CD1 4.08Å; Y375-L379 HydrophobicContact CE1-CD1 3.59Å; Y375-L379 HydrophobicContact CE1-CG 4.23Å; Y375-L379 PolarHBondContact O-N 3.19Å; Y375-L379 VanDerWaalsContact O-N 3.08Å
376	L	88.6	Confident	83.8	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.9	-37.2	176.4	-69.4	173.9	0	0	0	111.8	L39 I41 S76 L79 L372 W373 L379 Q380 V388	L39-L376 HydrophobicContact CD1-CD1 4.04Å; I41-L376 HydrophobicContact CG2-CD1 4.38Å; I41-L376 HydrophobicContact CG2-CD2 4.31Å; S76-L376 WeakPolarHBondContact OG-CD2 3.4Å; L79-L376 HydrophobicContact CD1-CD1 3.97Å; L372-L376 HydrophobicContact CD1-CD1 4.11Å; L372-L376 HydrophobicContact CD1-CG 4.19Å; L372-L376 HydrophobicContact CG-CD1 4.06Å; L372-L376 WeakPolarHBondContact O-CB 3.38Å; L372-L376 VanDerWaalsContact O-CG 3.31Å; L372-L376 WeakPolarHBondContact O-CG 3.3Å; L372-L376 PolarHBondContact O-N 3.16Å; W373-L376 PolarHBondContact O-N 3.09Å; L376-L379 HydrophobicContact CD2-CD1 4.5Å; L376-L379 PolarHBondContact O-N 3.38Å; L376-Q380 PolarHBondContact O-N 3.11Å; L376-V388 HydrophobicContact CB-CG1 4.08Å; L376-V388 HydrophobicContact CB-CG2 4.03Å; L376-V388 HydrophobicContact CD1-CG1 4.08Å
377	Q	86.7	Confident	84.4	Confident	77 Å²	77	61.5 Å²	61.5	36%	0.36	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-40.3	171.5	-74.7	-174.3	-40.2	0	0	112.5	W373 Q374 Y375 L379 Q380 H381	W373-Q377 VanDerWaalsContact NE1-NE2 3.11Å; W373-Q377 WeakPolarHBondContact O-CG 3.26Å; W373-Q377 PolarHBondContact O-N 3.49Å; Q374-Q377 WeakPolarHBondContact O-CB 3.35Å; Q374-Q377 PolarHBondContact O-N 3.34Å; Y375-Q377 VanDerWaalsContact C-N 3.31Å; Y375-Q377 PolarHBondContact O-N 3.2Å; Q377-L379 PolarHBondContact O-N 3.41Å; Q377-Q380 WeakPolarHBondContact O-CB 3.32Å; Q377-Q380 PolarHBondContact O-N 3.37Å; Q377-Q380 VanDerWaalsContact O-N 3.17Å; Q377-H381 PolarHBondContact O-CD2 2.92Å; Q377-H381 PolarHBondContact O-N 2.95Å
378	Q	86.5	Confident	84.7	Confident	70 Å²	70	57.4 Å²	57.4	33%	0.327	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-41.9	175.2	-68.7	-178.5	19.8	0	0	111.9	M66 Q374 Y375 Q380 H381 R382	M66-Q378 PolarHBondContact O-NE2 3.39Å; M66-Q378 PolarHBondContact O-OE1 3.04Å; Q374-Q378 WeakPolarHBondContact O-CG 3.08Å; Q374-Q378 PolarHBondContact O-N 2.89Å; Y375-Q378 WeakPolarHBondContact O-CB 3.42Å; Y375-Q378 PolarHBondContact O-N 2.97Å; Y375-Q378 VanDerWaalsContact O-N 3.12Å; Q378-Q380 VanDerWaalsContact C-N 3.31Å; Q378-Q380 PolarHBondContact O-N 3.01Å; Q378-H381 PolarHBondContact O-N 3.21Å; Q378-R382 WeakPolarHBondContact O-CG 3.26Å; Q378-R382 PolarHBondContact O-N 3Å
379	L	88.4	Confident	84.5	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-62.9	-37.7	173.2	-63.4	179.9	0	0	0	111.9	F51 E54 V55 Y375 L376 Q377 R382 R383 L384	F51-L379 HydrophobicContact CD2-CD1 4.29Å; F51-L379 HydrophobicContact CE2-CD1 3.76Å; F51-L379 HydrophobicContact CZ-CD1 4.48Å; E54-L379 HydrophobicContact CG-CD2 4.21Å; V55-L379 HydrophobicContact CG2-CD1 3.71Å; V55-L379 HydrophobicContact CG2-CD2 4.42Å; Y375-L379 HydrophobicContact CD1-CD1 4.08Å; Y375-L379 HydrophobicContact CE1-CD1 3.59Å; Y375-L379 HydrophobicContact CE1-CG 4.23Å; Y375-L379 PolarHBondContact O-N 3.19Å; Y375-L379 VanDerWaalsContact O-N 3.08Å; L376-L379 HydrophobicContact CD2-CD1 4.5Å; L376-L379 PolarHBondContact O-N 3.38Å; Q377-L379 PolarHBondContact O-N 3.41Å; L379-R382 CarbonylContact O-C 3.59Å; L379-R382 PolarHBondContact O-N 3.5Å; L379-R383 PolarHBondContact O-N 2.9Å; L379-L384 HydrophobicContact CB-CB 4.47Å; L379-L384 HydrophobicContact CD2-CD1 3.92Å; L379-L384 PolarHBondContact O-N 3.3Å
380	Q	89.1	Confident	84.1	Confident	73 Å²	73	62.3 Å²	62.3	34%	0.341	29%	0.294	S	S	.	.	H	α-helix	trans	-67.3	-41.9	175.5	-160.6	-173.5	-80.2	0	0	112	L376 Q377 Q378 R382 R383 C385 V388	L376-Q380 PolarHBondContact O-N 3.11Å; Q377-Q380 WeakPolarHBondContact O-CB 3.32Å; Q377-Q380 PolarHBondContact O-N 3.37Å; Q377-Q380 VanDerWaalsContact O-N 3.17Å; Q378-Q380 VanDerWaalsContact C-N 3.31Å; Q378-Q380 PolarHBondContact O-N 3.01Å; Q380-R382 VanDerWaalsContact C-N 3.27Å; Q380-R382 PolarHBondContact O-N 2.84Å; Q380-R383 WeakPolarHBondContact O-CA 3.07Å; Q380-R383 PolarHBondContact O-N 3.44Å; Q380-C385 PolarHBondContact N-SG 2.88Å; Q380-V388 HydrophobicContact CB-CG2 4.49Å
381	H	86.9	Confident	83.2	Confident	151 Å²	151	58.3 Å²	58.3	70%	0.699	27%	0.274	S	S	*	.	H	α-helix	trans	-62	-35.4	173.8	-78.9	-65.2	0	0	0	112.3	Q377 Q378 R383	Q377-H381 PolarHBondContact O-CD2 2.92Å; Q377-H381 PolarHBondContact O-N 2.95Å; Q378-H381 PolarHBondContact O-N 3.21Å; H381-R383 PolarHBondContact O-N 3.08Å
382	R	87.3	Confident	81.6	Confident	113 Å²	113	63.4 Å²	63.4	43%	0.426	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	4.6	171.6	-67.7	-178.8	61.7	-173.9	-9.6	113.8	E54 Q378 L379 Q380 L384	E54-R382 VanDerWaalsContact CD-CZ 3.47Å; E54-R382 IonicContact OE1-CZ 2.9Å; E54-R382 IonicContact OE1-NH1 3.66Å; E54-R382 PolarHBondContact OE1-NH1 2.92Å; E54-R382 IonicContact OE1-NH2 3.38Å; E54-R382 IonicContact OE2-CZ 2.78Å; E54-R382 IonicContact OE2-NH1 3.49Å; E54-R382 PolarHBondContact OE2-NH1 2.82Å; E54-R382 IonicContact OE2-NH2 3Å; E54-R382 PolarHBondContact OE2-NH2 2.89Å; Q378-R382 WeakPolarHBondContact O-CG 3.26Å; Q378-R382 PolarHBondContact O-N 3Å; L379-R382 CarbonylContact O-C 3.59Å; L379-R382 PolarHBondContact O-N 3.5Å; Q380-R382 VanDerWaalsContact C-N 3.27Å; Q380-R382 PolarHBondContact O-N 2.84Å; R382-L384 HydrophobicContact CB-CD1 4.28Å; R382-L384 HydrophobicContact CB-CG 4.19Å; R382-L384 PolarHBondContact O-N 3.08Å
383	R	87.9	Confident	79.3	Confident	196 Å²	196	67.6 Å²	67.6	74%	0.74	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	13.4	-179.1	-53.3	-177.6	178.4	-171.2	-1.6	115	N47 L379 Q380 H381 C385	N47-R383 PolarHBondContact ND2-O 3.25Å; L379-R383 PolarHBondContact O-N 2.9Å; Q380-R383 WeakPolarHBondContact O-CA 3.07Å; Q380-R383 PolarHBondContact O-N 3.44Å; H381-R383 PolarHBondContact O-N 3.08Å; R383-C385 VanDerWaalsContact C-N 3.28Å; R383-C385 PolarHBondContact O-N 2.86Å
384	L	85.8	Confident	76.9	Confident	16 Å²	16	69.3 Å²	69.3	8%	0.084	36%	0.361	C	S	.	.	S	Bend	trans	-73.8	-22.5	179.4	-62.1	176.2	0	0	0	112.1	D50 F51 E54 L379 R382	D50-L384 HydrophobicContact CB-CD2 3.84Å; F51-L384 HydrophobicContact CB-CB 4.26Å; F51-L384 HydrophobicContact CD2-CB 4.2Å; E54-L384 HydrophobicContact CB-CD1 3.71Å; E54-L384 HydrophobicContact CG-CD1 3.83Å; L379-L384 HydrophobicContact CB-CB 4.47Å; L379-L384 HydrophobicContact CD2-CD1 3.92Å; L379-L384 PolarHBondContact O-N 3.3Å; R382-L384 HydrophobicContact CB-CD1 4.28Å; R382-L384 HydrophobicContact CB-CG 4.19Å; R382-L384 PolarHBondContact O-N 3.08Å
385	C	86.9	Confident	74.5	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.014	38%	0.38	C	S	.	.			trans	-130.6	158.8	161.1	59.1	0	0	0	0	109.8	Q42 I43 Q380 R383	Q42-C385 WeakPolarHBondContact O-CA 3.4Å; Q42-C385 WeakPolarHBondContact O-CB 3.44Å; I43-C385 HydrophobicContact CG1-CB 4.1Å; Q380-C385 PolarHBondContact N-SG 2.88Å; R383-C385 VanDerWaalsContact C-N 3.28Å; R383-C385 PolarHBondContact O-N 2.86Å
386	H	77.4	Confident	72	Confident	78 Å²	78	75.3 Å²	75.3	36%	0.361	42%	0.416	S	S	.	.	S	Bend	trans	-103.3	-37.8	-171.7	-66.1	73.2	0	0	0	112.5	Q42 G44 Y46	Q42-H386 PolarHBondContact O-N 3.14Å; G44-H386 PolarHBondContact N-CE1 3.24Å; G44-H386 VanDerWaalsContact N-CE1 3.31Å; G44-H386 PolarHBondContact N-ND1 3.06Å; Y46-H386 AromaticContact CZ-NE2 3.79Å; Y46-H386 PolarHBondContact OH-NE2 3.39Å
387	T	74.2	Confident	69.3	Low	53 Å²	53	80 Å²	80	33%	0.325	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	126.3	-179	-45	0	0	0	0	109	I41 Q42	I41-T387 CarbonylContact C-O 2.92Å; I41-T387 VanDerWaalsContact CA-O 3.31Å; I41-T387 WeakPolarHBondContact CA-O 3.41Å; Q42-T387 PolarHBondContact N-O 2.92Å; Q42-T387 VanDerWaalsContact OE1-CB 3.32Å; Q42-T387 PolarHBondContact OE1-OG1 2.76Å
388	V	77.6	Confident	66.7	Low	14 Å²	14	84.9 Å²	84.9	9%	0.085	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116.6	161.6	-173.5	0	0	0	0	106.7	L39 I41 W373 L376 Q380	L39-V388 HydrophobicContact CD2-CG1 4.24Å; I41-V388 HydrophobicContact CG2-CG1 4.17Å; I41-V388 HydrophobicContact CG2-CG2 4.18Å; W373-V388 HydrophobicContact CE3-CG1 4Å; W373-V388 HydrophobicContact CH2-CB 4.47Å; W373-V388 HydrophobicContact CH2-CG1 4.09Å; W373-V388 HydrophobicContact CZ3-CB 4.37Å; W373-V388 HydrophobicContact CZ3-CG1 3.52Å; L376-V388 HydrophobicContact CB-CG1 4.08Å; L376-V388 HydrophobicContact CB-CG2 4.03Å; L376-V388 HydrophobicContact CD1-CG1 4.08Å; Q380-V388 HydrophobicContact CB-CG2 4.49Å
389	S	75.1	Confident	64.1	Low	45 Å²	45	88.2 Å²	88.2	32%	0.315	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.6	-175.8	65.8	0	0	0	0	112.3	L39 S40 T391	L39-S389 CarbonylContact C-O 3.59Å; L39-S389 WeakPolarHBondContact CA-O 3.48Å; S40-S389 PolarHBondContact N-O 3.49Å; S40-S389 PolarHBondContact O-N 3.35Å; S40-S389 PolarHBondContact OG-OG 2.86Å; S389-T391 PolarHBondContact O-N 3.46Å
390	L	73.4	Confident	61.4	Low	111 Å²	111	96.5 Å²	96.5	58%	0.581	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	123.1	171.4	-67.9	169.3	0	0	0	109.1	P38 L39 V368 W373	P38-L390 VanDerWaalsContact O-CA 3.24Å; P38-L390 WeakPolarHBondContact O-CA 3.42Å; P38-L390 WeakPolarHBondContact O-CD2 3.07Å; L39-L390 HydrophobicContact CD2-CD2 3.87Å; V368-L390 HydrophobicContact CG2-CD2 4.14Å; W373-L390 HydrophobicContact CZ3-CD2 4.43Å; W373-L390 HydrophobicContact CZ3-CG 4.35Å
391	T	63.5	Low	58.7	Low	44 Å²	44	98.4 Å²	98.4	27%	0.27	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-71.1	125.1	177.9	-25.9	0	0	0	0	108.9	P38 L39 S389 A393	P38-T391 VanDerWaalsContact C-OG1 3.24Å; P38-T391 PolarHBondContact O-N 3.07Å; P38-T391 VanDerWaalsContact O-N 3.08Å; L39-T391 PolarHBondContact N-OG1 3.09Å; L39-T391 VanDerWaalsContact N-OG1 3.14Å; S389-T391 PolarHBondContact O-N 3.46Å; T391-A393 PolarHBondContact O-N 2.61Å
392	P	50.7	Low	55.8	Low	115 Å²	115	98.8 Å²	98.8	75%	0.747	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-61.8	137.6	173.5	26.5	-33.6	0	0	0	109.5
393	A	39	Very low	53.1	Low	88 Å²	88	101.1 Å²	101.1	73%	0.727	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-58.6	143.1	-179.4	0	0	0	0	0	110.9	T391	T391-A393 PolarHBondContact O-N 2.61Å
394	P	35.6	Very low	50.3	Low	108 Å²	108	96.1 Å²	96.1	70%	0.701	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-59.7	138.5	177.4	25.7	-34.1	0	0	0	110	A396	P394-A396 PolarHBondContact O-N 2.52Å
395	P	35.4	Very low	47.5	Very low	128 Å²	128	103.8 Å²	103.8	83%	0.831	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-64.4	121.3	-178	26.1	-33.7	0	0	0	110	A397	P395-A397 PolarHBondContact O-N 3.4Å
396	A	35.4	Very low	44.7	Very low	94 Å²	94	111.6 Å²	111.6	78%	0.777	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-57.8	131.9	173.4	0	0	0	0	0	109.9	P394 M398	P394-A396 PolarHBondContact O-N 2.52Å; A396-M398 PolarHBondContact O-N 3.17Å
397	A	31.8	Very low	42.3	Very low	99 Å²	99	115 Å²	115	82%	0.818	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-59.4	128.6	176.9	0	0	0	0	0	110	P395 T399	P395-A397 PolarHBondContact O-N 3.4Å; A397-T399 PolarHBondContact O-N 3.27Å
398	M	33.3	Very low	40	Very low	180 Å²	180	116.2 Å²	116.2	89%	0.887	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-65.3	131.1	-169.3	-58.8	-179.6	-169.8	0	0	112.7	A396	A396-M398 PolarHBondContact O-N 3.17Å
399	T	32.3	Very low	37.5	Very low	139 Å²	139	120.3 Å²	120.3	85%	0.853	74%	0.736	S	S	*	*			trans	-106.4	91.7	153.5	36.8	0	0	0	0	109.5	A397	A397-T399 PolarHBondContact O-N 3.27Å
400	H	31.1	Very low	35.2	Very low	180 Å²	180	124.1 Å²	124.1	83%	0.833	76%	0.763	S	S	*	*			trans	16.5	115.4	167.3	-66	-86.5	0	0	0	120.2
401	S	32.4	Very low	32.9	Very low	112 Å²	112	126.6 Å²	126.6	78%	0.783	78%	0.776	S	S	*	*			trans	-67	155.5	157.9	173.6	0	0	0	0	112.4
402	M	26.7	Very low	31.2	Very low	160 Å²	160	128.6 Å²	128.6	79%	0.788	80%	0.797	S	S	*	*			trans	-151.1	142.3	153.4	-110.4	-55.8	-130.2	0	0	112.6
403	H	28.9	Very low	30.1	Very low	162 Å²	162	131.6 Å²	131.6	75%	0.75	80%	0.801	S	S	*	*			trans	64.9	139.8	177.8	-72.2	72.8	0	0	0	117.9
404	A	29.6	Very low	29.5	Very low	91 Å²	91	138.6 Å²	138.6	75%	0.752	81%	0.81	S	S	*	*			cis	-158.2	167.9	-17.9	0	0	0	0	0	112
405	M	27.1	Very low	29.2	Very low	177 Å²	177	140.8 Å²	140.8	87%	0.872	81%	0.811	S	S	*	*			trans	-62.7	129	-169.3	-75.1	-172.2	-66.6	0	0	118.5
406	H	27.8	Very low	28.6	Very low	165 Å²	165	141.1 Å²	141.1	76%	0.764	80%	0.802	S	S	*	*				79.9	149.3	106.6	-156.5	41.8	0	0	0	122.5
407	I	26.8	Very low	28.3	Very low	150 Å²	150	143.5 Å²	143.5	77%	0.769	80%	0.796	S	S	*	*			trans	75	128.4	167	-43.8	-171.2	0	0	0	118.6
408	G	25.7	Very low	28	Very low	79 Å²	79	145.2 Å²	145.2	81%	0.814	79%	0.787	S	S	*	*			trans	149.6	98.4	162.3	0	0	0	0	0	113.5
409	A	25.6	Very low	27.7	Very low	100 Å²	100	142.9 Å²	142.9	83%	0.826	77%	0.774	S	S	*	*			trans	-119.5	140.1	179.1	0	0	0	0	0	112.1
410	S	26.9	Very low	27.4	Very low	125 Å²	125	143.7 Å²	143.7	87%	0.874	77%	0.768	S	S	*	*			trans	-174.5	162.6	152.5	11.1	0	0	0	0	111.1
411	D	25.3	Very low	27.1	Very low	162 Å²	162	144.2 Å²	144.2	87%	0.866	77%	0.771	S	S	*	*			trans	-90.7	176.4	-169.4	-64.1	-84.8	0	0	0	116.1
412	A	26.8	Very low	26.8	Very low	86 Å²	86	147 Å²	147	71%	0.711	77%	0.772	S	S	*	*			trans	90.4	117.9	146.1	0	0	0	0	0	120.6
413	H	28.4	Very low	26.7	Very low	179 Å²	179	148.1 Å²	148.1	83%	0.829	78%	0.775	S	S	*	*			trans	28.2	123.4	132	-72.7	75.4	0	0	0	119.5
414	Y	27.5	Very low	26.6	Very low	234 Å²	234	147.7 Å²	147.7	92%	0.918	78%	0.778	S	S	*	*				-159.1	-167.9	111	-120.2	-82.9	0	0	0	111.7
415	H	27.3	Very low	26.9	Very low	154 Å²	154	148.7 Å²	148.7	71%	0.713	78%	0.777	S	S	*	*			trans	-117.3	163.8	-157.2	-115.8	18.5	0	0	0	114.5
416	Q	24.9	Very low	26.7	Very low	136 Å²	136	146.8 Å²	146.8	64%	0.636	77%	0.769	S	S	*	*			trans	79.9	135	142.9	-82.3	165.4	-91	0	0	123.6
417	H	29	Very low	26.6	Very low	143 Å²	143	144.7 Å²	144.7	66%	0.662	77%	0.767	S	S	*	*			trans	70.6	156.2	140.8	-65.8	-34.5	0	0	0	121.1
418	Q	23.8	Very low	26.4	Very low	136 Å²	136	148.1 Å²	148.1	64%	0.636	77%	0.77	S	S	*	*			cis	-167	162.8	-37.1	-149.7	174.8	-21.7	0	0	109.9
419	H	27.9	Very low	26.3	Very low	131 Å²	131	149.7 Å²	149.7	61%	0.606	77%	0.769	S	S	*	*			trans	63.6	118.8	163	-75.3	-74.8	0	0	0	121.8
420	Q	26	Very low	26.2	Very low	155 Å²	155	150.3 Å²	150.3	72%	0.724	76%	0.763	S	S	*	*				23.7	132.1	123.2	-58.6	166.4	-36.6	0	0	119.7
421	Q	23.8	Very low	26.2	Very low	192 Å²	192	149.2 Å²	149.2	90%	0.897	76%	0.755	S	S	*	*				-171.6	177.2	98.1	-99.7	-176.8	31.4	0	0	112.8
422	Q	27.4	Very low	26.2	Very low	170 Å²	170	149.8 Å²	149.8	79%	0.794	75%	0.752	S	S	*	*			trans	-89.3	150.2	-179.5	-58.4	162.6	-15.5	0	0	111.2
423	Q	23.8	Very low	26.2	Very low	184 Å²	184	151.3 Å²	151.3	86%	0.86	75%	0.753	S	S	*	*				164.5	136.4	121.1	-88.6	170.6	27.3	0	0	114
424	N	27.5	Very low	26.1	Very low	153 Å²	153	148.5 Å²	148.5	82%	0.818	75%	0.748	S	S	*	*			trans	-75.4	159.5	154.9	-82.1	-19.3	0	0	0	108.7
425	P	36.2	Very low	25.9	Very low	112 Å²	112	143.7 Å²	143.7	73%	0.727	74%	0.738	S	S	*	*				-160.8	-165	66.2	37.9	-11.8	0	0	0	118.3
426	I	22.8	Very low	25.9	Very low	137 Å²	137	142.7 Å²	142.7	70%	0.703	74%	0.743	S	S	*	*			trans	78	110	165.5	-52.3	169.5	0	0	0	114.6
427	V	24.3	Very low	25.9	Very low	120 Å²	120	141.5 Å²	141.5	73%	0.727	75%	0.749	S	S	*	*			cis	84.2	108.3	24.7	-165.7	0	0	0	0	116
428	R	23.7	Very low	25.5	Very low	222 Å²	222	142.4 Å²	142.4	84%	0.838	76%	0.758	S	S	*	*				165.1	129.2	124.9	-92.1	-175.8	-175.7	86.1	-0.1	115.3
429	S	22.9	Very low	26.4	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	76%	0.761	S	S	*	*			trans	-171.1	102.6	136.6	-162.7	0	0	0	0	107.9
430	V	24.2	Very low	26.1	Very low	114 Å²	114	141.7 Å²	141.7	69%	0.691	77%	0.774	S	S	*	*				59	110.8	90.4	-176.1	0	0	0	0	111.9
431	S	26.7	Very low	26.2	Very low	101 Å²	101	139.7 Å²	139.7	71%	0.706	77%	0.772	S	S	*	*			cis	107.6	126.3	20.9	-63.8	0	0	0	0	114.2
432	Q	25.1	Very low	26.4	Very low	174 Å²	174	138.2 Å²	138.2	81%	0.813	77%	0.765	S	S	*	*			trans	-173.9	113.8	152.3	-100.4	152.1	93.1	0	0	106.6
433	T	26.2	Very low	26.1	Very low	118 Å²	118	139.3 Å²	139.3	72%	0.724	77%	0.768	S	S	*	*				64.2	138.9	77.8	62.9	0	0	0	0	113.4
434	T	26.7	Very low	26.1	Very low	120 Å²	120	133.6 Å²	133.6	74%	0.736	76%	0.759	S	S	*	*			cis	-151.6	169	37.8	50.6	0	0	0	0	112.8
435	L	24.7	Very low	26	Very low	133 Å²	133	134.6 Å²	134.6	70%	0.696	76%	0.764	S	S	*	*			cis	-171.8	137.9	-21.9	-97.9	168.4	0	0	0	109.4
436	T	26.2	Very low	25.9	Very low	133 Å²	133	134.6 Å²	134.6	82%	0.816	77%	0.767	S	S	*	*			trans	64.7	162.9	150.4	60.7	0	0	0	0	120.2
437	S	24.1	Very low	25.9	Very low	111 Å²	111	138.4 Å²	138.4	78%	0.776	78%	0.779	S	S	*	*			cis	-141.4	-178.5	11	59.2	0	0	0	0	113.4
438	I	21.8	Very low	26.4	Very low	163 Å²	163	136.6 Å²	136.6	84%	0.836	78%	0.784	S	S	*	*			trans	-121.8	-155.6	-167.2	-28.5	179	0	0	0	112
439	P	42.6	Very low	26.6	Very low	110 Å²	110	131.4 Å²	131.4	71%	0.714	78%	0.782	S	S	*	*				-116	177.3	-128.3	43.4	-27.6	0	0	0	116.7
440	T	22	Very low	27.3	Very low	141 Å²	141	130.3 Å²	130.3	87%	0.865	78%	0.779	S	S	*	*			trans	-143.2	160.9	162.2	-54.8	0	0	0	0	110.7
441	T	28.1	Very low	27.9	Very low	114 Å²	114	131.3 Å²	131.3	70%	0.699	79%	0.785	S	S	*	*			trans	-125.2	163.1	-169.8	52.2	0	0	0	0	114.9
442	Q	27.3	Very low	28.4	Very low	160 Å²	160	130.5 Å²	130.5	75%	0.748	78%	0.78	S	S	*	*			trans	87.1	133.6	150.7	-85.8	179.9	63.6	0	0	122.7
443	F	21.8	Very low	29.7	Very low	193 Å²	193	125.3 Å²	125.3	85%	0.846	76%	0.758	S	S	*	*			trans	55.6	127.2	155.5	-73.7	-71.6	0	0	0	122.8
444	G	24.3	Very low	31.4	Very low	65 Å²	65	123.7 Å²	123.7	67%	0.67	75%	0.748	S	S	*	*			trans	105.1	92.3	149.5	0	0	0	0	0	116.7
445	D	23.9	Very low	34.1	Very low	173 Å²	173	122.1 Å²	122.1	93%	0.925	73%	0.734	S	S	*	*				170.6	147.5	110.7	-93.2	-12.7	0	0	0	113.4
446	S	34.4	Very low	37.1	Very low	113 Å²	113	117.8 Å²	117.8	79%	0.79	72%	0.715	S	S	*	*			trans	-111.7	102.7	171.8	-70.6	0	0	0	0	110
447	F	24	Very low	40.1	Very low	217 Å²	217	119.1 Å²	119.1	95%	0.952	71%	0.709	S	S	*	*			trans	-158.4	160.2	150	-104.6	-69.3	0	0	0	110.6	S449	F447-S449 PolarHBondContact O-N 3.44Å
448	G	34.3	Very low	43.4	Very low	82 Å²	82	114 Å²	114	85%	0.845	67%	0.673	S	S	*	*			trans	-67.8	127.1	-167.4	0	0	0	0	0	114.2
449	S	27.3	Very low	46.6	Very low	113 Å²	113	108.4 Å²	108.4	79%	0.79	65%	0.647	S	S	*	*			trans	-134.2	143.7	162.7	-173.6	0	0	0	0	109.7	F447 V451	F447-S449 PolarHBondContact O-N 3.44Å; S449-V451 PolarHBondContact O-N 3.13Å; S449-V451 VanDerWaalsContact O-N 3.16Å
450	A	38.3	Very low	48.9	Very low	88 Å²	88	103.3 Å²	103.3	73%	0.727	61%	0.614	S	S	*	*			trans	-73.7	106.5	-177.4	0	0	0	0	0	110.5	S452	A450-S452 PolarHBondContact O-N 3.48Å
451	V	35.3	Very low	51.9	Low	135 Å²	135	104.9 Å²	104.9	82%	0.818	60%	0.604	S	S	*	*			trans	-62.4	109.3	166.8	-173.7	0	0	0	0	107.1	S449	S449-V451 PolarHBondContact O-N 3.13Å; S449-V451 VanDerWaalsContact O-N 3.16Å
452	S	38.1	Very low	54.4	Low	84 Å²	84	101.4 Å²	101.4	59%	0.587	58%	0.579	S	S	*	*			trans	-60.6	159.3	-170.3	-56	0	0	0	0	112.3	A450 T454	A450-S452 PolarHBondContact O-N 3.48Å; S452-T454 PolarHBondContact O-N 3.11Å; S452-T454 PolarHBondContact O-OG1 2.96Å
453	D	51.6	Low	56.4	Low	66 Å²	66	99 Å²	99	35%	0.353	57%	0.571	S	S	.	*			trans	-72.8	65.8	178.8	-144.2	57	0	0	0	111	I455 R539 R545	D453-I455 PolarHBondContact O-N 3.36Å; D453-R539 IonicContact OD1-NE 3.53Å; D453-R539 PolarHBondContact OD1-NE 2.82Å; D453-R539 IonicContact OD2-CZ 3.43Å; D453-R539 IonicContact OD2-NE 2.71Å; D453-R539 PolarHBondContact OD2-NE 3.45Å; D453-R539 IonicContact OD2-NH2 3.31Å; D453-R539 PolarHBondContact OD2-NH2 2.96Å; D453-R545 IonicContact OD1-CZ 3.83Å; D453-R545 IonicContact OD1-NH1 2.8Å; D453-R545 PolarHBondContact OD1-NH1 2.94Å; D453-R545 IonicContact OD1-NH2 3.11Å; D453-R545 PolarHBondContact OD1-NH2 2.93Å
454	T	63.8	Low	58.5	Low	84 Å²	84	94.4 Å²	94.4	52%	0.515	58%	0.578	S	S	.	*			trans	-74.6	84.9	-168.6	41.3	0	0	0	0	111.4	S452 S456	S452-T454 PolarHBondContact O-N 3.11Å; S452-T454 PolarHBondContact O-OG1 2.96Å; T454-S456 PolarHBondContact O-N 3.08Å; T454-S456 PolarHBondContact O-OG 3.23Å
455	I	83.1	Confident	60.5	Low	87 Å²	87	95.2 Å²	95.2	45%	0.446	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-59.7	110.1	168.8	-57.1	-179.8	0	0	0	108.5	D453 L508 D537 V538	D453-I455 PolarHBondContact O-N 3.36Å; I455-L508 HydrophobicContact CD1-CD1 3.61Å; I455-L508 HydrophobicContact CG1-CD1 3.7Å; I455-L508 HydrophobicContact CG2-CD1 4.15Å; I455-D537 HydrophobicContact CG2-CB 3.65Å; I455-V538 CarbonylContact C-O 3.58Å; I455-V538 WeakPolarHBondContact CA-O 3.5Å
456	S	86.3	Confident	63.2	Low	41 Å²	41	88.3 Å²	88.3	29%	0.287	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91	129.8	179.3	-61.7	0	0	0	0	109.7	T454 V538	T454-S456 PolarHBondContact O-N 3.08Å; T454-S456 PolarHBondContact O-OG 3.23Å; S456-V538 PolarHBondContact N-O 3.35Å; S456-V538 WeakPolarHBondContact O-CB 3.41Å; S456-V538 PolarHBondContact O-N 2.92Å
457	K	90.4	Very high	65.8	Low	162 Å²	162	83.8 Å²	83.8	70%	0.704	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	118.2	175.7	-74.6	-175	171.4	-178.6	0	111	F536 D537	K457-F536 WeakPolarHBondContact CA-O 3.49Å; K457-D537 WeakPolarHBondContact CE-OD1 3.24Å; K457-D537 WeakPolarHBondContact CG-OD1 3.34Å
458	V	92.4	Very high	68.8	Low	3 Å²	3	74.1 Å²	74.1	2%	0.018	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	107.8	-177.7	-175.3	0	0	0	0	109.6	L460 R500 L501 F536 V538	V458-L460 HydrophobicContact CG1-CD2 3.95Å; V458-L460 HydrophobicContact CG1-CG 4.06Å; V458-R500 HydrophobicContact CG1-CB 4.13Å; V458-R500 HydrophobicContact CG2-CB 4.06Å; V458-L501 HydrophobicContact CB-CD2 4.36Å; V458-L501 HydrophobicContact CG1-CD2 4.35Å; V458-L501 HydrophobicContact CG1-CG 4.19Å; V458-L501 HydrophobicContact CG2-CD2 4.11Å; V458-F536 PolarHBondContact N-O 3.48Å; V458-F536 PolarHBondContact O-N 3.14Å; V458-V538 HydrophobicContact CB-CG2 4.26Å; V458-V538 HydrophobicContact CG2-CG2 3.93Å
459	T	90.2	Very high	71.5	Confident	46 Å²	46	71.7 Å²	71.7	28%	0.282	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120.4	171.8	-51.6	0	0	0	0	109.9	R500 E533 V534 H535	T459-R500 PolarHBondContact O-NH2 2.93Å; T459-E533 HydrophobicContact CG2-CG 3.38Å; T459-E533 WeakPolarHBondContact CG2-OE1 3.25Å; T459-V534 CarbonylContact C-O 3.54Å; T459-V534 WeakPolarHBondContact CA-O 3.39Å; T459-H535 WeakPolarHBondContact CG2-NE2 3.34Å; T459-H535 PolarHBondContact OG1-CD2 3.5Å; T459-H535 PolarHBondContact OG1-NE2 2.9Å
460	L	89.6	Confident	74.5	Confident	3 Å²	3	68.7 Å²	68.7	2%	0.016	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143	175.3	-61.3	-177.4	0	0	0	110.7	V458 I467 A495 D498 L501 E533 V534 F536	V458-L460 HydrophobicContact CG1-CD2 3.95Å; V458-L460 HydrophobicContact CG1-CG 4.06Å; L460-I467 HydrophobicContact CB-CG2 4.32Å; L460-I467 HydrophobicContact CD1-CG2 3.52Å; L460-A495 HydrophobicContact CD1-CB 3.89Å; L460-D498 HydrophobicContact CD2-CB 3.36Å; L460-L501 HydrophobicContact CD1-CD1 3.77Å; L460-E533 WeakPolarHBondContact O-CA 3.33Å; L460-V534 PolarHBondContact N-O 3.15Å; L460-V534 PolarHBondContact O-N 3Å; L460-F536 HydrophobicContact CD1-CE2 4.2Å
461	R	84.7	Confident	77.1	Confident	174 Å²	174	65.2 Å²	65.2	66%	0.657	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.5	172.6	-66.9	-178.8	63.4	-176.3	0	110.4	P494 N532 E533	R461-P494 WeakPolarHBondContact O-CB 3.28Å; R461-P494 WeakPolarHBondContact O-CG 3.35Å; R461-N532 CarbonylContact C-O 3.56Å; R461-N532 VanDerWaalsContact CA-O 3.27Å; R461-N532 WeakPolarHBondContact CA-O 3.33Å; R461-E533 HydrophobicContact CG-CB 4.39Å; R461-E533 HydrophobicContact CG-CG 4.14Å
462	K	81	Confident	79.8	Confident	40 Å²	40	59.4 Å²	59.4	17%	0.174	37%	0.365	C	S	.	.			trans	-78.7	137.1	178.1	-65.3	-174.6	-177.2	177.7	0	110.7	I467 M527 T528 S530 G531 N532 V534	K462-I467 HydrophobicContact CG-CG1 3.97Å; K462-M527 WeakPolarHBondContact CE-O 3.43Å; K462-M527 PolarHBondContact NZ-O 3Å; K462-T528 PolarHBondContact NZ-O 3.37Å; K462-S530 PolarHBondContact NZ-O 3.44Å; K462-G531 VanDerWaalsContact CD-O 3.28Å; K462-G531 WeakPolarHBondContact CD-O 3.45Å; K462-G531 VanDerWaalsContact CE-O 3.23Å; K462-G531 WeakPolarHBondContact CE-O 3.44Å; K462-N532 PolarHBondContact N-O 2.78Å; K462-V534 HydrophobicContact CD-CG2 4.35Å; K462-V534 VanDerWaalsContact CE-CG2 3.49Å; K462-V534 HydrophobicContact CG-CG2 4.04Å
463	N	70.6	Confident	82.3	Confident	110 Å²	110	56.4 Å²	56.4	59%	0.588	35%	0.345	S	S	*	.	B	Isolated β-bridge	trans	-100.6	175.8	160.8	-67.6	-5.3	0	0	0	109	G465 G466 P494	N463-G465 PolarHBondContact O-N 3.14Å; N463-G466 PolarHBondContact N-O 2.99Å; N463-G466 PolarHBondContact O-N 3.34Å; N463-P494 HydrophobicContact CB-CG 4.07Å
464	G	64	Low	84.1	Confident	97 Å²	97	53.7 Å²	53.7	100%	1	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.1	-178.7	0	0	0	0	0	115.7
465	G	66.8	Low	85.2	Confident	81 Å²	81	54.6 Å²	54.6	84%	0.835	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	11.2	172.3	0	0	0	0	0	115.3	N463	N463-G465 PolarHBondContact O-N 3.14Å
466	G	81.8	Confident	84.8	Confident	28 Å²	28	50.8 Å²	50.8	29%	0.289	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	89.6	-152.7	179.9	0	0	0	0	0	114.8	N463	N463-G466 PolarHBondContact N-O 2.99Å; N463-G466 PolarHBondContact O-N 3.34Å
467	I	87.3	Confident	83.7	Confident	18 Å²	18	55.3 Å²	55.3	9%	0.092	34%	0.338	C	S	.	.			trans	-91.5	-35.8	-175.2	-52.9	173.6	0	0	0	111.8	L460 K462 L469 A495 M527 V534 F536	L460-I467 HydrophobicContact CB-CG2 4.32Å; L460-I467 HydrophobicContact CD1-CG2 3.52Å; K462-I467 HydrophobicContact CG-CG1 3.97Å; I467-L469 HydrophobicContact CG2-CD1 3.98Å; I467-L469 HydrophobicContact CG2-CG 4.15Å; I467-A495 HydrophobicContact CG2-CB 4.43Å; I467-A495 WeakPolarHBondContact O-CB 3.46Å; I467-A495 PolarHBondContact O-N 3.17Å; I467-M527 HydrophobicContact CD1-CB 4.11Å; I467-V534 HydrophobicContact CD1-CB 4.24Å; I467-V534 HydrophobicContact CD1-CG1 4.09Å; I467-V534 HydrophobicContact CD1-CG2 3.91Å; I467-V534 HydrophobicContact CG1-CG2 4.44Å; I467-F536 HydrophobicContact CD1-CE2 4.42Å; I467-F536 HydrophobicContact CD1-CZ 4.04Å
468	G	88.6	Confident	82.2	Confident	14 Å²	14	51.2 Å²	51.2	14%	0.144	34%	0.342	C	S	.	.			trans	90.6	27.8	-179.7	0	0	0	0	0	116.4	V490 T493	G468-V490 PolarHBondContact O-N 3.33Å; G468-T493 WeakPolarHBondContact CA-OG1 3.14Å
469	L	90.2	Very high	81	Confident	31 Å²	31	53.2 Å²	53.2	16%	0.162	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127	175.5	-64.7	170.5	0	0	0	110.9	I467 I471 V486 V489 A495 L501 F536	I467-L469 HydrophobicContact CG2-CD1 3.98Å; I467-L469 HydrophobicContact CG2-CG 4.15Å; L469-I471 HydrophobicContact CB-CG2 4.24Å; L469-V486 HydrophobicContact CD2-CG1 4.11Å; L469-V486 HydrophobicContact CD2-CG2 4.49Å; L469-V489 HydrophobicContact CD2-CG1 4.38Å; L469-V489 HydrophobicContact CD2-CG2 4Å; L469-A495 HydrophobicContact CD2-CB 3.67Å; L469-A495 HydrophobicContact CG-CB 3.89Å; L469-L501 HydrophobicContact CD1-CD1 3.56Å; L469-L501 HydrophobicContact CD2-CB 4.35Å; L469-L501 HydrophobicContact CD2-CD1 3.72Å; L469-L501 HydrophobicContact CG-CD1 4.2Å; L469-F536 HydrophobicContact CD1-CE2 4.36Å; L469-F536 HydrophobicContact CD1-CZ 4.28Å
470	S	90.9	Very high	79.9	Confident	51 Å²	51	62.5 Å²	62.5	36%	0.357	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	119.9	157.7	-178.4	0	0	0	0	108.1	K487 K488	S470-K487 PolarHBondContact O-N 2.88Å; S470-K488 WeakPolarHBondContact CB-O 3.33Å; S470-K488 PolarHBondContact N-O 3.31Å; S470-K488 PolarHBondContact O-N 2.96Å
471	I	93.4	Very high	79.3	Confident	14 Å²	14	68 Å²	68	7%	0.072	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	156	179	60.9	167.8	0	0	0	110.9	L469 I484 Y485 L507 Q520 A523 A524 M527	L469-I471 HydrophobicContact CB-CG2 4.24Å; I471-I484 HydrophobicContact CB-CG2 3.99Å; I471-I484 HydrophobicContact CD1-CG2 3.95Å; I471-I484 HydrophobicContact CG2-CG2 4.27Å; I471-Y485 CarbonylContact C-O 3.55Å; I471-Y485 VanDerWaalsContact CA-O 3.27Å; I471-Y485 WeakPolarHBondContact CA-O 3.47Å; I471-L507 HydrophobicContact CG2-CD1 3.92Å; I471-Q520 HydrophobicContact CD1-CG 4.43Å; I471-Q520 HydrophobicContact CG1-CG 4.25Å; I471-Q520 PolarHBondContact O-NE2 3.01Å; I471-A523 HydrophobicContact CD1-CB 3.85Å; I471-A524 HydrophobicContact CD1-CB 4.34Å; I471-M527 HydrophobicContact CD1-CE 3.82Å; I471-M527 HydrophobicContact CD1-SD 4.03Å; I471-M527 HydrophobicContact CG2-CE 4.49Å
472	V	91.1	Very high	79.2	Confident	13 Å²	13	63.1 Å²	63.1	8%	0.079	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	146.3	170.8	-71.1	0	0	0	0	111.3	I484 Y485 K487 W551 L552	V472-I484 WeakPolarHBondContact O-CA 3.24Å; V472-Y485 PolarHBondContact N-O 3.12Å; V472-Y485 PolarHBondContact O-N 3.08Å; V472-K487 HydrophobicContact CG1-CB 4.11Å; V472-K487 HydrophobicContact CG1-CD 3.7Å; V472-K487 HydrophobicContact CG2-CB 4.16Å; V472-W551 HydrophobicContact CB-CH2 4.01Å; V472-W551 HydrophobicContact CB-CZ3 4.2Å; V472-W551 HydrophobicContact CG1-CH2 4.38Å; V472-W551 HydrophobicContact CG2-CH2 3.94Å; V472-W551 HydrophobicContact CG2-CZ3 3.61Å; V472-L552 HydrophobicContact CG2-CD2 3.64Å
473	A	91.5	Very high	79.7	Confident	22 Å²	22	61.2 Å²	61.2	18%	0.182	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.4	166.6	0	0	0	0	0	109.8	M482 G483 I484 Q520	A473-M482 HydrophobicContact CB-CE 3.77Å; A473-G483 WeakPolarHBondContact CA-O 3.46Å; A473-I484 HydrophobicContact CB-CD1 3.89Å; A473-Q520 HydrophobicContact CB-CB 3.93Å
474	A	87.4	Confident	80.9	Confident	9 Å²	9	56 Å²	56	7%	0.074	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	158.3	177.1	0	0	0	0	0	111.4	G483 Y485 L548 W551	A474-G483 PolarHBondContact N-O 2.98Å; A474-G483 PolarHBondContact O-N 3.36Å; A474-Y485 HydrophobicContact CB-CD2 4Å; A474-Y485 HydrophobicContact CB-CE2 4.1Å; A474-L548 HydrophobicContact CB-CD1 3.76Å; A474-L548 HydrophobicContact CB-CD2 4.15Å; A474-W551 HydrophobicContact CB-CE3 4.4Å; A474-W551 HydrophobicContact CB-CH2 4.21Å; A474-W551 HydrophobicContact CB-CZ3 3.73Å
475	Q	87.9	Confident	82.3	Confident	103 Å²	103	51.4 Å²	51.4	48%	0.481	31%	0.31	S	S	.	.			trans	-112.1	124.8	172.4	-172.1	170.2	-2	0	0	108.7	D479 M482	Q475-D479 HydrophobicContact CG-CB 3.97Å; Q475-D479 PolarHBondContact NE2-O 2.7Å; Q475-M482 HydrophobicContact CB-SD 3.76Å
476	G	74.9	Confident	83.6	Confident	6 Å²	6	47.6 Å²	47.6	6%	0.062	27%	0.27	C	S	.	.			trans	-72.2	161.5	175.6	0	0	0	0	0	113.4	G478 D479 N546	G476-G478 PolarHBondContact O-N 3.01Å; G476-D479 WeakPolarHBondContact CA-OD2 3.39Å; G476-D479 PolarHBondContact N-OD2 2.84Å; G476-D479 PolarHBondContact O-N 3.35Å; G476-N546 CarbonylContact C-O 3.45Å; G476-N546 WeakPolarHBondContact CA-O 3.33Å
477	V	63.8	Low	84.1	Confident	136 Å²	136	51 Å²	51	82%	0.824	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	104.5	172	-177.6	0	0	0	0	108.8	N546	V477-N546 PolarHBondContact N-O 3.03Å
478	G	57.6	Low	84.3	Confident	77 Å²	77	54.8 Å²	54.8	79%	0.794	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.1	-8.5	-175.7	0	0	0	0	0	115.3	G476	G476-G478 PolarHBondContact O-N 3.01Å
479	D	68.2	Low	84.4	Confident	45 Å²	45	55.4 Å²	55.4	24%	0.241	29%	0.294	C	S	.	.			trans	-67.2	137.7	170.7	-80	-32.7	0	0	0	110.1	Q475 G476 Y485 N546	Q475-D479 HydrophobicContact CG-CB 3.97Å; Q475-D479 PolarHBondContact NE2-O 2.7Å; G476-D479 WeakPolarHBondContact CA-OD2 3.39Å; G476-D479 PolarHBondContact N-OD2 2.84Å; G476-D479 PolarHBondContact O-N 3.35Å; D479-Y485 PolarHBondContact OD2-OH 2.71Å; D479-N546 VanDerWaalsContact CG-ND2 3.27Å; D479-N546 PolarHBondContact OD1-ND2 3.44Å; D479-N546 VanDerWaalsContact OD1-ND2 3.09Å; D479-N546 PolarHBondContact OD2-ND2 3.37Å
480	R	67.1	Low	84.4	Confident	241 Å²	241	57 Å²	57	91%	0.909	31%	0.305	S	S	*	.	S	Bend	trans	-87.7	-7.8	174.1	-67.1	-174.2	177.9	-172.3	-1.1	114
481	Q	76.3	Confident	84.2	Confident	118 Å²	118	62.4 Å²	62.4	55%	0.551	33%	0.325	S	S	*	.	S	Bend	trans	-147.1	153.9	-173.8	-68.4	-178	-20.6	0	0	110.2	I516	Q481-I516 HydrophobicContact CB-CG2 4.31Å
482	M	83.4	Confident	83.7	Confident	71 Å²	71	64.7 Å²	64.7	35%	0.35	35%	0.352	S	S	.	.			trans	-62.5	142.1	172.9	-63.9	-67	-72.7	0	0	111.1	A473 Q475 G517	A473-M482 HydrophobicContact CB-CE 3.77Å; Q475-M482 HydrophobicContact CB-SD 3.76Å; M482-G517 WeakPolarHBondContact O-CA 3.5Å; M482-G517 PolarHBondContact O-N 3.41Å
483	G	90.8	Very high	83.6	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	152.3	170.5	0	0	0	0	0	111.8	A473 A474 Y485	A473-G483 WeakPolarHBondContact CA-O 3.46Å; A474-G483 PolarHBondContact N-O 2.98Å; A474-G483 PolarHBondContact O-N 3.36Å; G483-Y485 VanDerWaalsContact O-CD2 3.27Å; G483-Y485 WeakPolarHBondContact O-CD2 3.4Å; G483-Y485 WeakPolarHBondContact O-CE2 3.46Å
484	I	95.4	Very high	83.4	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.6	173.8	-57.6	-61.4	0	0	0	109.2	I471 V472 A473 Q506 L507 L515 A523 M527	I471-I484 HydrophobicContact CB-CG2 3.99Å; I471-I484 HydrophobicContact CD1-CG2 3.95Å; I471-I484 HydrophobicContact CG2-CG2 4.27Å; V472-I484 WeakPolarHBondContact O-CA 3.24Å; A473-I484 HydrophobicContact CB-CD1 3.89Å; I484-Q506 CarbonylContact O-C 3.54Å; I484-Q506 WeakPolarHBondContact O-CA 3.33Å; I484-L507 HydrophobicContact CG2-CB 4.38Å; I484-L507 HydrophobicContact CG2-CD1 4.3Å; I484-L507 PolarHBondContact O-N 3.43Å; I484-L515 HydrophobicContact CB-CB 4.38Å; I484-L515 HydrophobicContact CG1-CB 4.07Å; I484-L515 WeakPolarHBondContact CG1-O 3.22Å; I484-A523 HydrophobicContact CD1-CB 3.59Å; I484-A523 HydrophobicContact CG1-CB 3.66Å; I484-A523 HydrophobicContact CG2-CB 4.15Å; I484-M527 HydrophobicContact CG2-CE 4.29Å
485	Y	94.6	Very high	83.5	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	145.3	-178	-61.1	-94.2	0	0	0	111.4	I471 V472 A474 D479 G483 K487 D505 Q506 A542 A543 N546 L548	I471-Y485 CarbonylContact C-O 3.55Å; I471-Y485 VanDerWaalsContact CA-O 3.27Å; I471-Y485 WeakPolarHBondContact CA-O 3.47Å; V472-Y485 PolarHBondContact N-O 3.12Å; V472-Y485 PolarHBondContact O-N 3.08Å; A474-Y485 HydrophobicContact CB-CD2 4Å; A474-Y485 HydrophobicContact CB-CE2 4.1Å; D479-Y485 PolarHBondContact OD2-OH 2.71Å; G483-Y485 VanDerWaalsContact O-CD2 3.27Å; G483-Y485 WeakPolarHBondContact O-CD2 3.4Å; G483-Y485 WeakPolarHBondContact O-CE2 3.46Å; Y485-K487 PolarHBondContact O-N 2.82Å; Y485-D505 CarbonylContact C-O 3.59Å; Y485-D505 VanDerWaalsContact CA-O 3.3Å; Y485-D505 WeakPolarHBondContact CA-O 3.41Å; Y485-Q506 HydrophobicContact CD1-CB 3.8Å; Y485-Q506 HydrophobicContact CD1-CG 4.33Å; Y485-Q506 HydrophobicContact CE1-CB 3.74Å; Y485-Q506 HydrophobicContact CE1-CG 4.06Å; Y485-A542 HydrophobicContact CD1-CB 4.46Å; Y485-A542 HydrophobicContact CE1-CB 3.93Å; Y485-A543 HydrophobicContact CD1-CB 4.06Å; Y485-A543 HydrophobicContact CE1-CB 4.41Å; Y485-N546 PolarHBondContact OH-ND2 3.04Å; Y485-L548 HydrophobicContact CD2-CD1 4.14Å; Y485-L548 HydrophobicContact CE1-CD1 4.1Å; Y485-L548 HydrophobicContact CE2-CD1 3.59Å
486	V	94.6	Very high	83.5	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	115.4	172.1	-179.8	0	0	0	0	108.9	L469 V489 E502 T503 G504 D505 L507	L469-V486 HydrophobicContact CD2-CG1 4.11Å; L469-V486 HydrophobicContact CD2-CG2 4.49Å; V486-V489 HydrophobicContact CG1-CG2 3.88Å; V486-E502 WeakPolarHBondContact CB-O 3.35Å; V486-T503 WeakPolarHBondContact O-CA 3.46Å; V486-G504 PolarHBondContact O-N 3.21Å; V486-D505 HydrophobicContact CG2-CB 4.29Å; V486-D505 PolarHBondContact N-O 3.4Å; V486-L507 HydrophobicContact CG2-CD1 4.29Å; V486-L507 HydrophobicContact CG2-CD2 4.02Å; V486-L507 HydrophobicContact CG2-CG 4.09Å
487	K	92.2	Very high	84.1	Confident	100 Å²	100	68.3 Å²	68.3	44%	0.435	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-44.4	175.4	179.2	168.6	179	173	0	112.3	S470 V472 Y485 T503 L552	S470-K487 PolarHBondContact O-N 2.88Å; V472-K487 HydrophobicContact CG1-CB 4.11Å; V472-K487 HydrophobicContact CG1-CD 3.7Å; V472-K487 HydrophobicContact CG2-CB 4.16Å; Y485-K487 PolarHBondContact O-N 2.82Å; K487-T503 WeakPolarHBondContact O-CG2 3.45Å; K487-T503 PolarHBondContact O-OG1 3.34Å; K487-L552 HydrophobicContact CB-CD2 3.84Å; K487-L552 HydrophobicContact CG-CD2 4.18Å
488	K	91.3	Very high	85.2	Confident	97 Å²	97	64.4 Å²	64.4	42%	0.422	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	137.7	175.7	179.8	163	-177.6	166.9	0	110.2	S470	S470-K488 WeakPolarHBondContact CB-O 3.33Å; S470-K488 PolarHBondContact N-O 3.31Å; S470-K488 PolarHBondContact O-N 2.96Å
489	V	91	Very high	86.7	Confident	27 Å²	27	63 Å²	63	16%	0.164	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131	162.5	-170.4	0	0	0	0	107.5	L469 V486 A495 A496 L501	L469-V489 HydrophobicContact CD2-CG1 4.38Å; L469-V489 HydrophobicContact CD2-CG2 4Å; V486-V489 HydrophobicContact CG1-CG2 3.88Å; V489-A495 HydrophobicContact CG1-CB 3.73Å; V489-A496 HydrophobicContact CG1-CB 3.97Å; V489-L501 HydrophobicContact CG2-CB 4.4Å
490	V	89.7	Confident	87.7	Confident	66 Å²	66	66 Å²	66	40%	0.4	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-88.9	125	-175.1	-177.8	0	0	0	0	109.5	G468 T493 A496	G468-V490 PolarHBondContact O-N 3.33Å; V490-T493 HydrophobicContact CB-CG2 3.74Å; V490-T493 HydrophobicContact CG1-CG2 3.77Å; V490-T493 WeakPolarHBondContact O-CB 3.32Å; V490-T493 WeakPolarHBondContact O-CG2 3.32Å; V490-T493 PolarHBondContact O-N 3.5Å; V490-T493 PolarHBondContact O-OG1 2.85Å; V490-A496 WeakPolarHBondContact O-CB 3.5Å
491	E	86.5	Confident	88.8	Confident	163 Å²	163	54.9 Å²	54.9	76%	0.762	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	147.6	179.8	-69.3	166.3	-141.4	0	0	112.2	T493	E491-T493 PolarHBondContact O-N 3.43Å
492	G	81.6	Confident	89.6	Confident	62 Å²	62	53 Å²	53	64%	0.639	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	8.3	-177.6	0	0	0	0	0	115.8	H497	G492-H497 PolarHBondContact O-NE2 3.35Å
493	T	89.1	Confident	89.9	Confident	26 Å²	26	53 Å²	53	16%	0.16	29%	0.292	C	S	.	.	S	Bend	trans	-104.6	165.5	178.6	70.8	0	0	0	0	112.5	G468 V490 E491 A495 A496 H497	G468-T493 WeakPolarHBondContact CA-OG1 3.14Å; V490-T493 HydrophobicContact CB-CG2 3.74Å; V490-T493 HydrophobicContact CG1-CG2 3.77Å; V490-T493 WeakPolarHBondContact O-CB 3.32Å; V490-T493 WeakPolarHBondContact O-CG2 3.32Å; V490-T493 PolarHBondContact O-N 3.5Å; V490-T493 PolarHBondContact O-OG1 2.85Å; E491-T493 PolarHBondContact O-N 3.43Å; T493-A495 VanDerWaalsContact C-N 3.26Å; T493-A495 PolarHBondContact O-N 3.04Å; T493-A496 PolarHBondContact O-N 2.65Å; T493-H497 PolarHBondContact O-CD2 2.84Å; T493-H497 PolarHBondContact O-N 3.37Å
494	P	87.6	Confident	89.9	Confident	20 Å²	20	53.4 Å²	53.4	13%	0.13	30%	0.296	C	S	.	.	H	α-helix	trans	-53.5	-38.6	177.5	-29	37	0	0	0	114.4	R461 N463 H497 D498	R461-P494 WeakPolarHBondContact O-CB 3.28Å; R461-P494 WeakPolarHBondContact O-CG 3.35Å; N463-P494 HydrophobicContact CB-CG 4.07Å; P494-H497 PolarHBondContact O-N 3.02Å; P494-D498 VanDerWaalsContact O-CB 3.26Å; P494-D498 WeakPolarHBondContact O-CB 3.46Å; P494-D498 PolarHBondContact O-N 3.17Å
495	A	89.7	Confident	89.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.7	-37.4	176.6	0	0	0	0	0	113.3	L460 I467 L469 V489 T493 G499	L460-A495 HydrophobicContact CD1-CB 3.89Å; I467-A495 HydrophobicContact CG2-CB 4.43Å; I467-A495 WeakPolarHBondContact O-CB 3.46Å; I467-A495 PolarHBondContact O-N 3.17Å; L469-A495 HydrophobicContact CD2-CB 3.67Å; L469-A495 HydrophobicContact CG-CB 3.89Å; V489-A495 HydrophobicContact CG1-CB 3.73Å; T493-A495 VanDerWaalsContact C-N 3.26Å; T493-A495 PolarHBondContact O-N 3.04Å; A495-G499 PolarHBondContact O-N 3.46Å; A495-G499 VanDerWaalsContact O-N 3.11Å
496	A	88.1	Confident	89.8	Confident	38 Å²	38	53.6 Å²	53.6	31%	0.314	30%	0.297	S	S	.	.	H	α-helix	trans	-73.3	-36.8	175.5	0	0	0	0	0	112.6	V489 V490 T493 G499	V489-A496 HydrophobicContact CG1-CB 3.97Å; V490-A496 WeakPolarHBondContact O-CB 3.5Å; T493-A496 PolarHBondContact O-N 2.65Å; A496-G499 PolarHBondContact O-N 3.39Å
497	H	86.8	Confident	89.8	Confident	145 Å²	145	53.7 Å²	53.7	67%	0.671	30%	0.297	S	S	*	.	H	α-helix	trans	-71.3	-30.6	176.8	-72.4	-56	0	0	0	113.3	G492 T493 P494	G492-H497 PolarHBondContact O-NE2 3.35Å; T493-H497 PolarHBondContact O-CD2 2.84Å; T493-H497 PolarHBondContact O-N 3.37Å; P494-H497 PolarHBondContact O-N 3.02Å
498	D	88.3	Confident	89.9	Confident	55 Å²	55	49.5 Å²	49.5	29%	0.294	28%	0.28	S	S	.	.	H	α-helix	trans	-75	-36.5	172.9	-177.7	-90.8	0	0	0	112.4	L460 P494 R500	L460-D498 HydrophobicContact CD2-CB 3.36Å; P494-D498 VanDerWaalsContact O-CB 3.26Å; P494-D498 WeakPolarHBondContact O-CB 3.46Å; P494-D498 PolarHBondContact O-N 3.17Å; D498-R500 VanDerWaalsContact CG-NE 3.33Å; D498-R500 PolarHBondContact O-N 2.92Å; D498-R500 WeakPolarHBondContact OD1-CB 3.21Å; D498-R500 WeakPolarHBondContact OD1-CG 3.3Å; D498-R500 IonicContact OD1-CZ 3.2Å; D498-R500 PolarHBondContact OD1-N 3.22Å; D498-R500 IonicContact OD1-NE 3.58Å; D498-R500 PolarHBondContact OD1-NE 2.96Å; D498-R500 IonicContact OD1-NH2 3.59Å; D498-R500 PolarHBondContact OD1-NH2 3.33Å; D498-R500 IonicContact OD2-CZ 3.36Å; D498-R500 VanDerWaalsContact OD2-CZ 3.31Å; D498-R500 IonicContact OD2-NE 3.35Å; D498-R500 PolarHBondContact OD2-NE 3.36Å; D498-R500 VanDerWaalsContact OD2-NE 3.11Å; D498-R500 IonicContact OD2-NH2 2.65Å; D498-R500 PolarHBondContact OD2-NH2 2.97Å
499	G	87.7	Confident	90	Very high	46 Å²	46	45.3 Å²	45.3	47%	0.474	26%	0.263	S	S	.	.			trans	70	-6.7	173.4	0	0	0	0	0	115.8	A495 A496 L501	A495-G499 PolarHBondContact O-N 3.46Å; A495-G499 VanDerWaalsContact O-N 3.11Å; A496-G499 PolarHBondContact O-N 3.39Å; G499-L501 PolarHBondContact O-N 3.49Å
500	R	89.4	Confident	90.1	Very high	109 Å²	109	44 Å²	44	41%	0.411	26%	0.255	S	S	.	.			trans	-81.2	7.1	-178.8	-57.2	176.1	-69.3	164	-5.2	114.1	V458 T459 D498 K540	V458-R500 HydrophobicContact CG1-CB 4.13Å; V458-R500 HydrophobicContact CG2-CB 4.06Å; T459-R500 PolarHBondContact O-NH2 2.93Å; D498-R500 VanDerWaalsContact CG-NE 3.33Å; D498-R500 PolarHBondContact O-N 2.92Å; D498-R500 WeakPolarHBondContact OD1-CB 3.21Å; D498-R500 WeakPolarHBondContact OD1-CG 3.3Å; D498-R500 IonicContact OD1-CZ 3.2Å; D498-R500 PolarHBondContact OD1-N 3.22Å; D498-R500 IonicContact OD1-NE 3.58Å; D498-R500 PolarHBondContact OD1-NE 2.96Å; D498-R500 IonicContact OD1-NH2 3.59Å; D498-R500 PolarHBondContact OD1-NH2 3.33Å; D498-R500 IonicContact OD2-CZ 3.36Å; D498-R500 VanDerWaalsContact OD2-CZ 3.31Å; D498-R500 IonicContact OD2-NE 3.35Å; D498-R500 PolarHBondContact OD2-NE 3.36Å; D498-R500 VanDerWaalsContact OD2-NE 3.11Å; D498-R500 IonicContact OD2-NH2 2.65Å; D498-R500 PolarHBondContact OD2-NH2 2.97Å; R500-K540 WeakPolarHBondContact O-CE 3.49Å; R500-K540 PolarHBondContact O-NZ 2.99Å
501	L	91.8	Very high	90.1	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.042	25%	0.25	C	S	.	.			trans	-119.3	134.9	171.6	-64.3	177.7	0	0	0	110.2	V458 L460 L469 V489 G499 L507 V538	V458-L501 HydrophobicContact CB-CD2 4.36Å; V458-L501 HydrophobicContact CG1-CD2 4.35Å; V458-L501 HydrophobicContact CG1-CG 4.19Å; V458-L501 HydrophobicContact CG2-CD2 4.11Å; L460-L501 HydrophobicContact CD1-CD1 3.77Å; L469-L501 HydrophobicContact CD1-CD1 3.56Å; L469-L501 HydrophobicContact CD2-CB 4.35Å; L469-L501 HydrophobicContact CD2-CD1 3.72Å; L469-L501 HydrophobicContact CG-CD1 4.2Å; V489-L501 HydrophobicContact CG2-CB 4.4Å; G499-L501 PolarHBondContact O-N 3.49Å; L501-L507 HydrophobicContact CD2-CD2 4.22Å; L501-V538 HydrophobicContact CD2-CB 4.45Å; L501-V538 HydrophobicContact CD2-CG1 3.95Å; L501-V538 HydrophobicContact CD2-CG2 3.74Å
502	E	91.4	Very high	90.1	Very high	77 Å²	77	38.9 Å²	38.9	36%	0.36	25%	0.246	S	C	.	.			trans	-121.1	154.3	179.2	-63.9	178.9	172.5	0	0	110.2	V486 G504 D505 R541	V486-E502 WeakPolarHBondContact CB-O 3.35Å; E502-G504 PolarHBondContact O-N 3.32Å; E502-D505 PolarHBondContact N-OD2 2.69Å; E502-D505 WeakPolarHBondContact O-CB 3.31Å; E502-D505 PolarHBondContact O-N 3.38Å; E502-R541 IonicContact OE1-NH2 3.62Å; E502-R541 IonicContact OE2-CZ 3.68Å; E502-R541 IonicContact OE2-NE 3.22Å; E502-R541 PolarHBondContact OE2-NE 2.92Å; E502-R541 IonicContact OE2-NH2 3.19Å; E502-R541 PolarHBondContact OE2-NH2 3.37Å
503	T	91.4	Very high	90.4	Very high	73 Å²	73	41.3 Å²	41.3	45%	0.448	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	130.6	167.5	-74.9	0	0	0	0	109.9	V486 K487 L552	V486-T503 WeakPolarHBondContact O-CA 3.46Å; K487-T503 WeakPolarHBondContact O-CG2 3.45Å; K487-T503 PolarHBondContact O-OG1 3.34Å; T503-L552 HydrophobicContact CG2-CB 4.47Å
504	G	88.9	Confident	90.5	Very high	8 Å²	8	43.2 Å²	43.2	8%	0.082	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-1.9	-176	0	0	0	0	0	115.3	V486 E502 R541 A542 A543	V486-G504 PolarHBondContact O-N 3.21Å; E502-G504 PolarHBondContact O-N 3.32Å; G504-R541 CarbonylContact O-C 3.46Å; G504-A542 PolarHBondContact O-N 3.12Å; G504-A543 VanDerWaalsContact O-CB 3.27Å; G504-A543 WeakPolarHBondContact O-CB 3.43Å; G504-A543 PolarHBondContact O-N 3.02Å
505	D	94.4	Very high	90.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-69.9	144.2	166.2	-73.5	-20.1	0	0	0	111.3	Y485 V486 E502 V538 K540 R541	Y485-D505 CarbonylContact C-O 3.59Å; Y485-D505 VanDerWaalsContact CA-O 3.3Å; Y485-D505 WeakPolarHBondContact CA-O 3.41Å; V486-D505 HydrophobicContact CG2-CB 4.29Å; V486-D505 PolarHBondContact N-O 3.4Å; E502-D505 PolarHBondContact N-OD2 2.69Å; E502-D505 WeakPolarHBondContact O-CB 3.31Å; E502-D505 PolarHBondContact O-N 3.38Å; D505-V538 HydrophobicContact CB-CG1 3.83Å; D505-K540 WeakPolarHBondContact OD1-CA 3.47Å; D505-K540 VanDerWaalsContact OD1-CD 3.25Å; D505-K540 WeakPolarHBondContact OD1-CD 3.32Å; D505-K540 IonicContact OD1-NZ 2.76Å; D505-K540 WeakPolarHBondContact OD2-CD 3.34Å; D505-K540 IonicContact OD2-NZ 3.19Å; D505-K540 PolarHBondContact OD2-NZ 2.91Å; D505-R541 PolarHBondContact OD1-N 3.34Å
506	Q	94.1	Very high	90.7	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.028	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.6	172.7	178.6	-175.6	40.6	0	0	110	I484 Y485 L508 V538 R539 A542	I484-Q506 CarbonylContact O-C 3.54Å; I484-Q506 WeakPolarHBondContact O-CA 3.33Å; Y485-Q506 HydrophobicContact CD1-CB 3.8Å; Y485-Q506 HydrophobicContact CD1-CG 4.33Å; Y485-Q506 HydrophobicContact CE1-CB 3.74Å; Y485-Q506 HydrophobicContact CE1-CG 4.06Å; Q506-L508 HydrophobicContact CG-CD2 3.88Å; Q506-V538 CarbonylContact O-C 3.5Å; Q506-V538 WeakPolarHBondContact O-CA 3.45Å; Q506-R539 HydrophobicContact CB-CB 4.34Å; Q506-R539 PolarHBondContact N-O 3.49Å; Q506-R539 PolarHBondContact O-N 3.4Å; Q506-A542 HydrophobicContact CB-CB 3.34Å; Q506-A542 HydrophobicContact CG-CB 4.45Å
507	L	95.1	Very high	90.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	116.6	172.4	-51.9	178.9	0	0	0	107.8	I471 I484 V486 L501 L515 M527 F536 V538	I471-L507 HydrophobicContact CG2-CD1 3.92Å; I484-L507 HydrophobicContact CG2-CB 4.38Å; I484-L507 HydrophobicContact CG2-CD1 4.3Å; I484-L507 PolarHBondContact O-N 3.43Å; V486-L507 HydrophobicContact CG2-CD1 4.29Å; V486-L507 HydrophobicContact CG2-CD2 4.02Å; V486-L507 HydrophobicContact CG2-CG 4.09Å; L501-L507 HydrophobicContact CD2-CD2 4.22Å; L507-L515 HydrophobicContact CB-CD1 3.45Å; L507-L515 VanDerWaalsContact CB-CD1 3.45Å; L507-L515 WeakPolarHBondContact O-CB 3.37Å; L507-M527 HydrophobicContact CD1-CE 3.62Å; L507-M527 HydrophobicContact CD1-SD 4.4Å; L507-F536 HydrophobicContact CD1-CD1 4.2Å; L507-F536 HydrophobicContact CD1-CE1 4.08Å; L507-F536 HydrophobicContact CD2-CB 4.47Å; L507-F536 HydrophobicContact CD2-CD1 4.2Å; L507-F536 HydrophobicContact CD2-CG 4.4Å; L507-V538 HydrophobicContact CD2-CG1 4.33Å; L507-V538 HydrophobicContact CD2-CG2 4Å
508	L	93.5	Very high	90.5	Very high	13 Å²	13	41 Å²	41	7%	0.068	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-33.4	-178	-58.2	-178.6	0	0	0	112.5	I455 Q506 L515 I516 D537 R539	I455-L508 HydrophobicContact CD1-CD1 3.61Å; I455-L508 HydrophobicContact CG1-CD1 3.7Å; I455-L508 HydrophobicContact CG2-CD1 4.15Å; Q506-L508 HydrophobicContact CG-CD2 3.88Å; L508-L515 PolarHBondContact O-N 2.71Å; L508-I516 HydrophobicContact CD2-CD1 4.23Å; L508-I516 HydrophobicContact CD2-CG1 4.39Å; L508-D537 HydrophobicContact CB-CB 4.18Å; L508-D537 WeakPolarHBondContact CB-O 3.39Å; L508-D537 PolarHBondContact N-O 3.31Å; L508-R539 HydrophobicContact CD1-CB 4.09Å; L508-R539 HydrophobicContact CD2-CB 4.23Å; L508-R539 HydrophobicContact CG-CB 4.2Å
509	S	93.3	Very high	90.5	Very high	9 Å²	9	40.7 Å²	40.7	6%	0.063	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	159.9	175.7	95.7	0	0	0	0	111.6	H513 F536 D537	S509-H513 CarbonylContact C-O 3.47Å; S509-H513 WeakPolarHBondContact CA-O 3.28Å; S509-H513 WeakPolarHBondContact CB-O 3.39Å; S509-F536 WeakPolarHBondContact O-CA 3.35Å; S509-F536 WeakPolarHBondContact O-CD1 3.46Å; S509-D537 WeakPolarHBondContact CB-OD2 3.34Å; S509-D537 PolarHBondContact N-O 2.81Å; S509-D537 PolarHBondContact O-N 3.49Å; S509-D537 WeakPolarHBondContact OG-CB 3.36Å; S509-D537 PolarHBondContact OG-OD2 3.03Å
510	V	94.2	Very high	90.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	122.1	164.5	64.1	0	0	0	0	110	G512 H513 L515 L526 M527 V534 H535 F536	V510-G512 PolarHBondContact O-N 3.07Å; V510-G512 VanDerWaalsContact O-N 3.08Å; V510-H513 PolarHBondContact N-O 2.86Å; V510-H513 WeakPolarHBondContact O-CB 3.41Å; V510-H513 PolarHBondContact O-N 2.73Å; V510-L515 HydrophobicContact CB-CD1 4.17Å; V510-L515 HydrophobicContact CB-CD2 4.37Å; V510-L515 HydrophobicContact CB-CG 4.42Å; V510-L515 HydrophobicContact CG1-CD1 4.38Å; V510-L515 HydrophobicContact CG1-CD2 3.69Å; V510-L515 HydrophobicContact CG1-CG 4.18Å; V510-L526 HydrophobicContact CG1-CB 3.57Å; V510-L526 HydrophobicContact CG1-CD1 4.29Å; V510-M527 HydrophobicContact CB-CG 4.42Å; V510-M527 HydrophobicContact CG1-CG 4.5Å; V510-M527 HydrophobicContact CG2-CG 3.97Å; V510-V534 HydrophobicContact CG2-CG1 3.38Å; V510-H535 CarbonylContact C-O 3.53Å; V510-H535 WeakPolarHBondContact CA-O 3.37Å; V510-F536 HydrophobicContact CB-CD1 4.06Å; V510-F536 HydrophobicContact CB-CE1 3.92Å; V510-F536 HydrophobicContact CG2-CD1 4.08Å; V510-F536 HydrophobicContact CG2-CE1 3.63Å; V510-F536 HydrophobicContact CG2-CZ 4.17Å
511	N	90.2	Very high	90.6	Very high	56 Å²	56	41.1 Å²	41.1	30%	0.299	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	36.4	-174.3	-76.1	-31.9	0	0	0	113.2	S530 E533 H535	N511-S530 WeakPolarHBondContact ND2-CB 3.46Å; N511-S530 PolarHBondContact ND2-OG 3.1Å; N511-E533 PolarHBondContact ND2-O 2.83Å; N511-H535 PolarHBondContact N-O 2.93Å; N511-H535 WeakPolarHBondContact OD1-CB 3.46Å; N511-H535 PolarHBondContact OD1-N 3.28Å; N511-H535 PolarHBondContact OD1-ND1 2.93Å
512	G	85	Confident	90.4	Very high	65 Å²	65	43.2 Å²	43.2	67%	0.67	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-10.2	-178.4	0	0	0	0	0	115.6	V510	V510-G512 PolarHBondContact O-N 3.07Å; V510-G512 VanDerWaalsContact O-N 3.08Å
513	H	88.6	Confident	90.3	Very high	112 Å²	112	39.5 Å²	39.5	52%	0.519	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	125.6	172.1	-62.5	-75.8	0	0	0	110.6	S509 V510 L515 L526	S509-H513 CarbonylContact C-O 3.47Å; S509-H513 WeakPolarHBondContact CA-O 3.28Å; S509-H513 WeakPolarHBondContact CB-O 3.39Å; V510-H513 PolarHBondContact N-O 2.86Å; V510-H513 WeakPolarHBondContact O-CB 3.41Å; V510-H513 PolarHBondContact O-N 2.73Å; H513-L515 PolarHBondContact O-N 3.02Å; H513-L526 HydrophobicContact CB-CD1 4.17Å; H513-L526 HydrophobicContact CB-CD2 4.43Å
514	S	90.7	Very high	90.1	Very high	67 Å²	67	38 Å²	38	47%	0.469	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	135.4	175.9	-177.8	0	0	0	0	111.7	I516	S514-I516 PolarHBondContact OG-N 3.07Å; S514-I516 VanDerWaalsContact OG-N 3.15Å
515	L	91.9	Very high	90	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.255	C	S	.	.			trans	-100.4	0.7	171	-64.1	176	0	0	0	112.1	I484 L507 L508 V510 H513 I518 A523 L526 M527	I484-L515 HydrophobicContact CB-CB 4.38Å; I484-L515 HydrophobicContact CG1-CB 4.07Å; I484-L515 WeakPolarHBondContact CG1-O 3.22Å; L507-L515 HydrophobicContact CB-CD1 3.45Å; L507-L515 VanDerWaalsContact CB-CD1 3.45Å; L507-L515 WeakPolarHBondContact O-CB 3.37Å; L508-L515 PolarHBondContact O-N 2.71Å; V510-L515 HydrophobicContact CB-CD1 4.17Å; V510-L515 HydrophobicContact CB-CD2 4.37Å; V510-L515 HydrophobicContact CB-CG 4.42Å; V510-L515 HydrophobicContact CG1-CD1 4.38Å; V510-L515 HydrophobicContact CG1-CD2 3.69Å; V510-L515 HydrophobicContact CG1-CG 4.18Å; H513-L515 PolarHBondContact O-N 3.02Å; L515-I518 HydrophobicContact CD2-CD1 3.64Å; L515-A523 HydrophobicContact CD2-CB 3.88Å; L515-L526 HydrophobicContact CD2-CD1 4.26Å; L515-M527 HydrophobicContact CD1-CE 3.79Å; L515-M527 HydrophobicContact CD2-CE 4.26Å
516	I	89.9	Confident	89.7	Confident	70 Å²	70	45.8 Å²	45.8	36%	0.359	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	128.2	177.5	-49.9	178	0	0	0	109.1	Q481 L508 S514 I518	Q481-I516 HydrophobicContact CB-CG2 4.31Å; L508-I516 HydrophobicContact CD2-CD1 4.23Å; L508-I516 HydrophobicContact CD2-CG1 4.39Å; S514-I516 PolarHBondContact OG-N 3.07Å; S514-I516 VanDerWaalsContact OG-N 3.15Å; I516-I518 VanDerWaalsContact C-N 3.35Å; I516-I518 PolarHBondContact O-N 3.47Å
517	G	83.5	Confident	89.4	Confident	42 Å²	42	46.1 Å²	46.1	43%	0.433	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	1.3	176.2	0	0	0	0	0	116	M482	M482-G517 WeakPolarHBondContact O-CA 3.5Å; M482-G517 PolarHBondContact O-N 3.41Å
518	I	86.6	Confident	88.9	Confident	44 Å²	44	51 Å²	51	23%	0.226	30%	0.297	C	S	.	.			trans	-97.9	165.2	-179.8	75.4	172.7	0	0	0	112.4	L515 I516 D522 A523 L526	L515-I518 HydrophobicContact CD2-CD1 3.64Å; I516-I518 VanDerWaalsContact C-N 3.35Å; I516-I518 PolarHBondContact O-N 3.47Å; I518-D522 HydrophobicContact CB-CB 4.08Å; I518-D522 HydrophobicContact CD1-CB 3.87Å; I518-D522 HydrophobicContact CG1-CB 4.2Å; I518-A523 HydrophobicContact CD1-CB 4.07Å; I518-A523 HydrophobicContact CG1-CB 4.41Å; I518-L526 HydrophobicContact CD1-CD1 3.77Å
519	S	88.4	Confident	88.3	Confident	49 Å²	49	57.4 Å²	57.4	34%	0.343	33%	0.326	S	S	.	.			trans	-75.8	162.2	177.1	78.3	0	0	0	0	112.8	E521 D522 A523	S519-E521 VanDerWaalsContact C-N 3.25Å; S519-E521 PolarHBondContact O-N 3.26Å; S519-E521 PolarHBondContact OG-N 2.8Å; S519-D522 WeakPolarHBondContact CB-OD2 3.47Å; S519-D522 PolarHBondContact N-OD2 3.23Å; S519-D522 PolarHBondContact O-N 3.25Å; S519-D522 PolarHBondContact OG-N 3.37Å; S519-D522 PolarHBondContact OG-OD2 3.5Å; S519-A523 WeakPolarHBondContact O-CB 3.44Å; S519-A523 PolarHBondContact O-N 3.28Å
520	Q	91.6	Very high	87.6	Confident	88 Å²	88	58 Å²	58	41%	0.411	33%	0.33	S	S	.	.	H	α-helix	trans	-60.2	-35.6	171.9	-173.8	179.9	-38.6	0	0	112.1	I471 A473 A524	I471-Q520 HydrophobicContact CD1-CG 4.43Å; I471-Q520 HydrophobicContact CG1-CG 4.25Å; I471-Q520 PolarHBondContact O-NE2 3.01Å; A473-Q520 HydrophobicContact CB-CB 3.93Å; Q520-A524 VanDerWaalsContact O-CB 3.28Å; Q520-A524 WeakPolarHBondContact O-CB 3.46Å; Q520-A524 PolarHBondContact O-N 2.89Å
521	E	88.3	Confident	86.8	Confident	75 Å²	75	60.2 Å²	60.2	35%	0.35	35%	0.353	S	S	.	.	H	α-helix	trans	-65.6	-41.4	174.9	-69.5	-175.5	-136.9	0	0	111.7	S519 R525 R1075	S519-E521 VanDerWaalsContact C-N 3.25Å; S519-E521 PolarHBondContact O-N 3.26Å; S519-E521 PolarHBondContact OG-N 2.8Å; E521-R525 WeakPolarHBondContact O-CB 3.49Å; E521-R525 PolarHBondContact O-N 3.36Å; E521-R1075 IonicContact OE2-CZ 2.95Å; E521-R1075 IonicContact OE2-NE 3.75Å; E521-R1075 IonicContact OE2-NH2 3.95Å; E521-R1075 PolarHBondContact OE2-NH2 3.2Å
522	D	86.9	Confident	86.5	Confident	52 Å²	52	63.7 Å²	63.7	28%	0.278	37%	0.372	S	S	.	.	H	α-helix	trans	-65.8	-44.3	176.7	-64.2	-53.1	0	0	0	111.6	I518 S519 R525 L526	I518-D522 HydrophobicContact CB-CB 4.08Å; I518-D522 HydrophobicContact CD1-CB 3.87Å; I518-D522 HydrophobicContact CG1-CB 4.2Å; S519-D522 WeakPolarHBondContact CB-OD2 3.47Å; S519-D522 PolarHBondContact N-OD2 3.23Å; S519-D522 PolarHBondContact O-N 3.25Å; S519-D522 PolarHBondContact OG-N 3.37Å; S519-D522 PolarHBondContact OG-OD2 3.5Å; D522-R525 PolarHBondContact O-N 2.9Å; D522-R525 IonicContact OD1-CZ 2.82Å; D522-R525 IonicContact OD1-NE 2.87Å; D522-R525 IonicContact OD1-NH2 3.24Å; D522-R525 PolarHBondContact OD1-NH2 3.45Å; D522-L526 WeakPolarHBondContact O-CG 3.19Å; D522-L526 PolarHBondContact O-N 3.48Å
523	A	88.9	Confident	86.5	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-60.5	-48.5	176	0	0	0	0	0	111.7	I471 I484 L515 I518 S519 R525 L526 M527	I471-A523 HydrophobicContact CD1-CB 3.85Å; I484-A523 HydrophobicContact CD1-CB 3.59Å; I484-A523 HydrophobicContact CG1-CB 3.66Å; I484-A523 HydrophobicContact CG2-CB 4.15Å; L515-A523 HydrophobicContact CD2-CB 3.88Å; I518-A523 HydrophobicContact CD1-CB 4.07Å; I518-A523 HydrophobicContact CG1-CB 4.41Å; S519-A523 WeakPolarHBondContact O-CB 3.44Å; S519-A523 PolarHBondContact O-N 3.28Å; A523-R525 VanDerWaalsContact C-N 3.32Å; A523-R525 PolarHBondContact O-N 2.7Å; A523-L526 PolarHBondContact O-N 2.91Å; A523-M527 HydrophobicContact CB-CE 4.06Å; A523-M527 WeakPolarHBondContact O-CB 3.22Å; A523-M527 VanDerWaalsContact O-CG 3.24Å; A523-M527 WeakPolarHBondContact O-CG 3.45Å; A523-M527 PolarHBondContact O-N 3.29Å
524	A	88.5	Confident	86.6	Confident	40 Å²	40	59.7 Å²	59.7	33%	0.331	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-38.5	175.7	0	0	0	0	0	112	I471 Q520 T528	I471-A524 HydrophobicContact CD1-CB 4.34Å; Q520-A524 VanDerWaalsContact O-CB 3.28Å; Q520-A524 WeakPolarHBondContact O-CB 3.46Å; Q520-A524 PolarHBondContact O-N 2.89Å; A524-T528 VanDerWaalsContact O-CB 3.26Å; A524-T528 WeakPolarHBondContact O-CB 3.46Å; A524-T528 PolarHBondContact O-N 2.93Å; A524-T528 PolarHBondContact O-OG1 3.18Å
525	R	86.9	Confident	86.6	Confident	131 Å²	131	60.5 Å²	60.5	49%	0.494	33%	0.332	S	S	.	.	H	α-helix	trans	-64.1	-47.6	175.5	170.2	161.4	52.8	-173.2	-3.9	112	E521 D522 A523 M527 T528 Q529	E521-R525 WeakPolarHBondContact O-CB 3.49Å; E521-R525 PolarHBondContact O-N 3.36Å; D522-R525 PolarHBondContact O-N 2.9Å; D522-R525 IonicContact OD1-CZ 2.82Å; D522-R525 IonicContact OD1-NE 2.87Å; D522-R525 IonicContact OD1-NH2 3.24Å; D522-R525 PolarHBondContact OD1-NH2 3.45Å; A523-R525 VanDerWaalsContact C-N 3.32Å; A523-R525 PolarHBondContact O-N 2.7Å; R525-M527 PolarHBondContact O-N 3.47Å; R525-T528 PolarHBondContact O-N 3.13Å; R525-T528 VanDerWaalsContact O-N 3.14Å; R525-Q529 HydrophobicContact CG-CG 4.29Å; R525-Q529 WeakPolarHBondContact O-CB 3.29Å; R525-Q529 WeakPolarHBondContact O-CG 3.31Å; R525-Q529 PolarHBondContact O-N 3.46Å
526	L	87.8	Confident	86.8	Confident	42 Å²	42	60.6 Å²	60.6	22%	0.22	33%	0.332	C	S	.	.	H	α-helix	trans	-62.5	-42.3	176.6	-70.3	169	0	0	0	111.8	V510 H513 L515 I518 D522 A523 T528 S530	V510-L526 HydrophobicContact CG1-CB 3.57Å; V510-L526 HydrophobicContact CG1-CD1 4.29Å; H513-L526 HydrophobicContact CB-CD1 4.17Å; H513-L526 HydrophobicContact CB-CD2 4.43Å; L515-L526 HydrophobicContact CD2-CD1 4.26Å; I518-L526 HydrophobicContact CD1-CD1 3.77Å; D522-L526 WeakPolarHBondContact O-CG 3.19Å; D522-L526 PolarHBondContact O-N 3.48Å; A523-L526 PolarHBondContact O-N 2.91Å; L526-T528 VanDerWaalsContact C-N 3.31Å; L526-T528 PolarHBondContact O-N 3.34Å; L526-S530 WeakPolarHBondContact O-CB 3.26Å; L526-S530 PolarHBondContact O-N 2.9Å; L526-S530 PolarHBondContact O-OG 3.44Å
527	M	87.8	Confident	87	Confident	12 Å²	12	59.1 Å²	59.1	6%	0.059	33%	0.326	C	S	.	.	H	α-helix	trans	-63.4	-35.4	173.2	-68.7	173	-150.2	0	0	112.2	K462 I467 I471 I484 L507 V510 L515 A523 R525 F536	K462-M527 WeakPolarHBondContact CE-O 3.43Å; K462-M527 PolarHBondContact NZ-O 3Å; I467-M527 HydrophobicContact CD1-CB 4.11Å; I471-M527 HydrophobicContact CD1-CE 3.82Å; I471-M527 HydrophobicContact CD1-SD 4.03Å; I471-M527 HydrophobicContact CG2-CE 4.49Å; I484-M527 HydrophobicContact CG2-CE 4.29Å; L507-M527 HydrophobicContact CD1-CE 3.62Å; L507-M527 HydrophobicContact CD1-SD 4.4Å; V510-M527 HydrophobicContact CB-CG 4.42Å; V510-M527 HydrophobicContact CG1-CG 4.5Å; V510-M527 HydrophobicContact CG2-CG 3.97Å; L515-M527 HydrophobicContact CD1-CE 3.79Å; L515-M527 HydrophobicContact CD2-CE 4.26Å; A523-M527 HydrophobicContact CB-CE 4.06Å; A523-M527 WeakPolarHBondContact O-CB 3.22Å; A523-M527 VanDerWaalsContact O-CG 3.24Å; A523-M527 WeakPolarHBondContact O-CG 3.45Å; A523-M527 PolarHBondContact O-N 3.29Å; R525-M527 PolarHBondContact O-N 3.47Å; M527-F536 HydrophobicContact CE-CE1 3.94Å; M527-F536 HydrophobicContact CG-CE1 3.78Å; M527-F536 HydrophobicContact CG-CZ 3.97Å; M527-F536 HydrophobicContact SD-CE1 3.89Å; M527-F536 HydrophobicContact SD-CZ 4.1Å
528	T	84.1	Confident	87.5	Confident	105 Å²	105	57.1 Å²	57.1	64%	0.644	31%	0.305	S	S	*	.	H	α-helix	trans	-76.2	-43	179.2	-58.3	0	0	0	0	112.3	K462 A524 R525 L526 S530	K462-T528 PolarHBondContact NZ-O 3.37Å; A524-T528 VanDerWaalsContact O-CB 3.26Å; A524-T528 WeakPolarHBondContact O-CB 3.46Å; A524-T528 PolarHBondContact O-N 2.93Å; A524-T528 PolarHBondContact O-OG1 3.18Å; R525-T528 PolarHBondContact O-N 3.13Å; R525-T528 VanDerWaalsContact O-N 3.14Å; L526-T528 VanDerWaalsContact C-N 3.31Å; L526-T528 PolarHBondContact O-N 3.34Å; T528-S530 VanDerWaalsContact C-N 3.33Å; T528-S530 PolarHBondContact O-N 3.18Å
529	Q	80.6	Confident	87.7	Confident	147 Å²	147	57.7 Å²	57.7	69%	0.687	30%	0.304	S	S	*	.	H	α-helix	trans	-73.5	-20.4	178.8	-71.7	177.3	-27.7	0	0	113.9	R525	R525-Q529 HydrophobicContact CG-CG 4.29Å; R525-Q529 WeakPolarHBondContact O-CB 3.29Å; R525-Q529 WeakPolarHBondContact O-CG 3.31Å; R525-Q529 PolarHBondContact O-N 3.46Å
530	S	78.3	Confident	87.9	Confident	20 Å²	20	58 Å²	58	14%	0.14	30%	0.299	C	S	.	.	S	Bend	trans	-53.7	153.7	168.8	-70.4	0	0	0	0	112	K462 N511 L526 T528	K462-S530 PolarHBondContact NZ-O 3.44Å; N511-S530 WeakPolarHBondContact ND2-CB 3.46Å; N511-S530 PolarHBondContact ND2-OG 3.1Å; L526-S530 WeakPolarHBondContact O-CB 3.26Å; L526-S530 PolarHBondContact O-N 2.9Å; L526-S530 PolarHBondContact O-OG 3.44Å; T528-S530 VanDerWaalsContact C-N 3.33Å; T528-S530 PolarHBondContact O-N 3.18Å
531	G	78.9	Confident	87.5	Confident	47 Å²	47	61.4 Å²	61.4	49%	0.485	31%	0.308	S	S	.	.			trans	-68.7	-163.3	179.3	0	0	0	0	0	114.5	K462 E533	K462-G531 VanDerWaalsContact CD-O 3.28Å; K462-G531 WeakPolarHBondContact CD-O 3.45Å; K462-G531 VanDerWaalsContact CE-O 3.23Å; K462-G531 WeakPolarHBondContact CE-O 3.44Å; G531-E533 PolarHBondContact O-N 3.38Å
532	N	82.5	Confident	87.3	Confident	129 Å²	129	57.9 Å²	57.9	69%	0.69	29%	0.292	S	S	*	.	S	Bend	trans	-64.1	-5.2	174.7	-72.3	-7.4	0	0	0	113.8	R461 K462	R461-N532 CarbonylContact C-O 3.56Å; R461-N532 VanDerWaalsContact CA-O 3.27Å; R461-N532 WeakPolarHBondContact CA-O 3.33Å; K462-N532 PolarHBondContact N-O 2.78Å
533	E	85.9	Confident	87.1	Confident	93 Å²	93	55.5 Å²	55.5	44%	0.435	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139	177.8	-169.9	159.8	-126.2	0	0	109.9	T459 L460 R461 N511 G531	T459-E533 HydrophobicContact CG2-CG 3.38Å; T459-E533 WeakPolarHBondContact CG2-OE1 3.25Å; L460-E533 WeakPolarHBondContact O-CA 3.33Å; R461-E533 HydrophobicContact CG-CB 4.39Å; R461-E533 HydrophobicContact CG-CG 4.14Å; N511-E533 PolarHBondContact ND2-O 2.83Å; G531-E533 PolarHBondContact O-N 3.38Å
534	V	90.6	Very high	86.7	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	115.2	-167.8	-168.4	0	0	0	0	109.4	T459 L460 K462 I467 V510 F536	T459-V534 CarbonylContact C-O 3.54Å; T459-V534 WeakPolarHBondContact CA-O 3.39Å; L460-V534 PolarHBondContact N-O 3.15Å; L460-V534 PolarHBondContact O-N 3Å; K462-V534 HydrophobicContact CD-CG2 4.35Å; K462-V534 VanDerWaalsContact CE-CG2 3.49Å; K462-V534 HydrophobicContact CG-CG2 4.04Å; I467-V534 HydrophobicContact CD1-CB 4.24Å; I467-V534 HydrophobicContact CD1-CG1 4.09Å; I467-V534 HydrophobicContact CD1-CG2 3.91Å; I467-V534 HydrophobicContact CG1-CG2 4.44Å; V510-V534 HydrophobicContact CG2-CG1 3.38Å; V534-F536 HydrophobicContact CB-CE2 4.17Å; V534-F536 HydrophobicContact CB-CZ 4.5Å; V534-F536 HydrophobicContact CG1-CD2 4.32Å; V534-F536 HydrophobicContact CG1-CE1 4.17Å; V534-F536 HydrophobicContact CG1-CE2 3.61Å; V534-F536 HydrophobicContact CG1-CZ 3.53Å
535	H	91.6	Very high	86.1	Confident	84 Å²	84	67.1 Å²	67.1	39%	0.389	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125	-179	-58.7	74.7	0	0	0	109.7	T459 V510 N511	T459-H535 WeakPolarHBondContact CG2-NE2 3.34Å; T459-H535 PolarHBondContact OG1-CD2 3.5Å; T459-H535 PolarHBondContact OG1-NE2 2.9Å; V510-H535 CarbonylContact C-O 3.53Å; V510-H535 WeakPolarHBondContact CA-O 3.37Å; N511-H535 PolarHBondContact N-O 2.93Å; N511-H535 WeakPolarHBondContact OD1-CB 3.46Å; N511-H535 PolarHBondContact OD1-N 3.28Å; N511-H535 PolarHBondContact OD1-ND1 2.93Å
536	F	94.9	Very high	85.8	Confident	2 Å²	2	62 Å²	62	1%	0.009	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.6	174.4	-63.4	-80	0	0	0	111.3	K457 V458 L460 I467 L469 L507 S509 V510 M527 V534 V538	K457-F536 WeakPolarHBondContact CA-O 3.49Å; V458-F536 PolarHBondContact N-O 3.48Å; V458-F536 PolarHBondContact O-N 3.14Å; L460-F536 HydrophobicContact CD1-CE2 4.2Å; I467-F536 HydrophobicContact CD1-CE2 4.42Å; I467-F536 HydrophobicContact CD1-CZ 4.04Å; L469-F536 HydrophobicContact CD1-CE2 4.36Å; L469-F536 HydrophobicContact CD1-CZ 4.28Å; L507-F536 HydrophobicContact CD1-CD1 4.2Å; L507-F536 HydrophobicContact CD1-CE1 4.08Å; L507-F536 HydrophobicContact CD2-CB 4.47Å; L507-F536 HydrophobicContact CD2-CD1 4.2Å; L507-F536 HydrophobicContact CD2-CG 4.4Å; S509-F536 WeakPolarHBondContact O-CA 3.35Å; S509-F536 WeakPolarHBondContact O-CD1 3.46Å; V510-F536 HydrophobicContact CB-CD1 4.06Å; V510-F536 HydrophobicContact CB-CE1 3.92Å; V510-F536 HydrophobicContact CG2-CD1 4.08Å; V510-F536 HydrophobicContact CG2-CE1 3.63Å; V510-F536 HydrophobicContact CG2-CZ 4.17Å; M527-F536 HydrophobicContact CE-CE1 3.94Å; M527-F536 HydrophobicContact CG-CE1 3.78Å; M527-F536 HydrophobicContact CG-CZ 3.97Å; M527-F536 HydrophobicContact SD-CE1 3.89Å; M527-F536 HydrophobicContact SD-CZ 4.1Å; V534-F536 HydrophobicContact CB-CE2 4.17Å; V534-F536 HydrophobicContact CB-CZ 4.5Å; V534-F536 HydrophobicContact CG1-CD2 4.32Å; V534-F536 HydrophobicContact CG1-CE1 4.17Å; V534-F536 HydrophobicContact CG1-CE2 3.61Å; V534-F536 HydrophobicContact CG1-CZ 3.53Å; F536-V538 HydrophobicContact CB-CG2 3.66Å
537	D	93.6	Very high	85.4	Confident	40 Å²	40	62.5 Å²	62.5	21%	0.214	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.9	156.7	-72.2	-58.6	0	0	0	108.2	I455 K457 L508 S509	I455-D537 HydrophobicContact CG2-CB 3.65Å; K457-D537 WeakPolarHBondContact CE-OD1 3.24Å; K457-D537 WeakPolarHBondContact CG-OD1 3.34Å; L508-D537 HydrophobicContact CB-CB 4.18Å; L508-D537 WeakPolarHBondContact CB-O 3.39Å; L508-D537 PolarHBondContact N-O 3.31Å; S509-D537 WeakPolarHBondContact CB-OD2 3.34Å; S509-D537 PolarHBondContact N-O 2.81Å; S509-D537 PolarHBondContact O-N 3.49Å; S509-D537 WeakPolarHBondContact OG-CB 3.36Å; S509-D537 PolarHBondContact OG-OD2 3.03Å
538	V	94.2	Very high	85	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.4	-167.9	-172.4	0	0	0	0	111.4	I455 S456 V458 L501 D505 Q506 L507 F536	I455-V538 CarbonylContact C-O 3.58Å; I455-V538 WeakPolarHBondContact CA-O 3.5Å; S456-V538 PolarHBondContact N-O 3.35Å; S456-V538 WeakPolarHBondContact O-CB 3.41Å; S456-V538 PolarHBondContact O-N 2.92Å; V458-V538 HydrophobicContact CB-CG2 4.26Å; V458-V538 HydrophobicContact CG2-CG2 3.93Å; L501-V538 HydrophobicContact CD2-CB 4.45Å; L501-V538 HydrophobicContact CD2-CG1 3.95Å; L501-V538 HydrophobicContact CD2-CG2 3.74Å; D505-V538 HydrophobicContact CB-CG1 3.83Å; Q506-V538 CarbonylContact O-C 3.5Å; Q506-V538 WeakPolarHBondContact O-CA 3.45Å; L507-V538 HydrophobicContact CD2-CG1 4.33Å; L507-V538 HydrophobicContact CD2-CG2 4Å; F536-V538 HydrophobicContact CB-CG2 3.66Å
539	R	92.3	Very high	84.5	Confident	56 Å²	56	59.8 Å²	59.8	21%	0.211	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	111.3	167.4	-177.2	-177.7	-76.6	125.1	-3.9	109.3	D453 Q506 L508 A542	D453-R539 IonicContact OD1-NE 3.53Å; D453-R539 PolarHBondContact OD1-NE 2.82Å; D453-R539 IonicContact OD2-CZ 3.43Å; D453-R539 IonicContact OD2-NE 2.71Å; D453-R539 PolarHBondContact OD2-NE 3.45Å; D453-R539 IonicContact OD2-NH2 3.31Å; D453-R539 PolarHBondContact OD2-NH2 2.96Å; Q506-R539 HydrophobicContact CB-CB 4.34Å; Q506-R539 PolarHBondContact N-O 3.49Å; Q506-R539 PolarHBondContact O-N 3.4Å; L508-R539 HydrophobicContact CD1-CB 4.09Å; L508-R539 HydrophobicContact CD2-CB 4.23Å; L508-R539 HydrophobicContact CG-CB 4.2Å; R539-A542 HydrophobicContact CB-CB 4.25Å; R539-A542 HydrophobicContact CG-CB 3.97Å
540	K	91.1	Very high	84	Confident	55 Å²	55	59.7 Å²	59.7	24%	0.239	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	134.7	-178.2	-79.4	-65.2	-174.2	-179.4	0	112.9	R500 D505 A542	R500-K540 WeakPolarHBondContact O-CE 3.49Å; R500-K540 PolarHBondContact O-NZ 2.99Å; D505-K540 WeakPolarHBondContact OD1-CA 3.47Å; D505-K540 VanDerWaalsContact OD1-CD 3.25Å; D505-K540 WeakPolarHBondContact OD1-CD 3.32Å; D505-K540 IonicContact OD1-NZ 2.76Å; D505-K540 WeakPolarHBondContact OD2-CD 3.34Å; D505-K540 IonicContact OD2-NZ 3.19Å; D505-K540 PolarHBondContact OD2-NZ 2.91Å; K540-A542 PolarHBondContact O-N 3.05Å
541	R	83.7	Confident	83.6	Confident	160 Å²	160	65.5 Å²	65.5	60%	0.604	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	26	175.4	-58.3	179.8	-177.9	152.4	4.5	114.9	E502 G504 D505 A543 H544	E502-R541 IonicContact OE1-NH2 3.62Å; E502-R541 IonicContact OE2-CZ 3.68Å; E502-R541 IonicContact OE2-NE 3.22Å; E502-R541 PolarHBondContact OE2-NE 2.92Å; E502-R541 IonicContact OE2-NH2 3.19Å; E502-R541 PolarHBondContact OE2-NH2 3.37Å; G504-R541 CarbonylContact O-C 3.46Å; D505-R541 PolarHBondContact OD1-N 3.34Å; R541-A543 VanDerWaalsContact C-N 3.26Å; R541-A543 PolarHBondContact O-N 3.36Å; R541-H544 PolarHBondContact O-N 3.01Å; R541-H544 VanDerWaalsContact O-N 3.1Å
542	A	83.6	Confident	83.2	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-56	-37	-176.7	0	0	0	0	0	113.2	Y485 G504 Q506 R539 K540 H544 R545 N546	Y485-A542 HydrophobicContact CD1-CB 4.46Å; Y485-A542 HydrophobicContact CE1-CB 3.93Å; G504-A542 PolarHBondContact O-N 3.12Å; Q506-A542 HydrophobicContact CB-CB 3.34Å; Q506-A542 HydrophobicContact CG-CB 4.45Å; R539-A542 HydrophobicContact CB-CB 4.25Å; R539-A542 HydrophobicContact CG-CB 3.97Å; K540-A542 PolarHBondContact O-N 3.05Å; A542-H544 VanDerWaalsContact C-N 3.27Å; A542-H544 PolarHBondContact O-N 2.84Å; A542-R545 WeakPolarHBondContact O-CB 3.23Å; A542-R545 PolarHBondContact O-N 3.49Å; A542-N546 WeakPolarHBondContact O-CB 3.42Å; A542-N546 PolarHBondContact O-N 3.42Å; A542-N546 PolarHBondContact O-OD1 3Å
543	A	84.3	Confident	81.9	Confident	2 Å²	2	60.2 Å²	60.2	2%	0.017	30%	0.3	C	S	.	.	H	α-helix	trans	-57.3	-37.5	177.8	0	0	0	0	0	113.4	Y485 G504 R541 N546 G547 L548 S549 L552	Y485-A543 HydrophobicContact CD1-CB 4.06Å; Y485-A543 HydrophobicContact CE1-CB 4.41Å; G504-A543 VanDerWaalsContact O-CB 3.27Å; G504-A543 WeakPolarHBondContact O-CB 3.43Å; G504-A543 PolarHBondContact O-N 3.02Å; R541-A543 VanDerWaalsContact C-N 3.26Å; R541-A543 PolarHBondContact O-N 3.36Å; A543-N546 PolarHBondContact O-N 3.09Å; A543-G547 PolarHBondContact O-N 3.16Å; A543-L548 HydrophobicContact CB-CB 4.12Å; A543-L548 WeakPolarHBondContact O-CA 3.37Å; A543-L548 PolarHBondContact O-N 2.65Å; A543-S549 PolarHBondContact O-N 2.91Å; A543-L552 HydrophobicContact CB-CD1 3.33Å
544	H	79.9	Confident	79.4	Confident	140 Å²	140	60.8 Å²	60.8	65%	0.648	31%	0.314	S	S	*	.	H	α-helix	trans	-70.2	-34.4	177	-171.5	-53.3	0	0	0	111.7	R541 A542 N546	R541-H544 PolarHBondContact O-N 3.01Å; R541-H544 VanDerWaalsContact O-N 3.1Å; A542-H544 VanDerWaalsContact C-N 3.27Å; A542-H544 PolarHBondContact O-N 2.84Å; H544-N546 VanDerWaalsContact C-N 3.33Å
545	R	75.1	Confident	76.6	Confident	144 Å²	144	68.3 Å²	68.3	54%	0.543	35%	0.349	S	S	.	.	H	α-helix	trans	-71.5	-31.6	176.4	-67.7	171.6	57.6	-172.8	-7.8	112	D453 A542	D453-R545 IonicContact OD1-CZ 3.83Å; D453-R545 IonicContact OD1-NH1 2.8Å; D453-R545 PolarHBondContact OD1-NH1 2.94Å; D453-R545 IonicContact OD1-NH2 3.11Å; D453-R545 PolarHBondContact OD1-NH2 2.93Å; A542-R545 WeakPolarHBondContact O-CB 3.23Å; A542-R545 PolarHBondContact O-N 3.49Å
546	N	80.8	Confident	73.5	Confident	24 Å²	24	69.4 Å²	69.4	13%	0.128	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	8.8	-171.8	-69.6	35.8	0	0	0	113.1	G476 V477 D479 Y485 A542 A543 H544 L548	G476-N546 CarbonylContact C-O 3.45Å; G476-N546 WeakPolarHBondContact CA-O 3.33Å; V477-N546 PolarHBondContact N-O 3.03Å; D479-N546 VanDerWaalsContact CG-ND2 3.27Å; D479-N546 PolarHBondContact OD1-ND2 3.44Å; D479-N546 VanDerWaalsContact OD1-ND2 3.09Å; D479-N546 PolarHBondContact OD2-ND2 3.37Å; Y485-N546 PolarHBondContact OH-ND2 3.04Å; A542-N546 WeakPolarHBondContact O-CB 3.42Å; A542-N546 PolarHBondContact O-N 3.42Å; A542-N546 PolarHBondContact O-OD1 3Å; A543-N546 PolarHBondContact O-N 3.09Å; H544-N546 VanDerWaalsContact C-N 3.33Å; N546-L548 HydrophobicContact CB-CD1 4.4Å
547	G	78.9	Confident	70.2	Confident	52 Å²	52	75.9 Å²	75.9	54%	0.536	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	8.7	176.2	0	0	0	0	0	115.6	A543	A543-G547 PolarHBondContact O-N 3.16Å
548	L	80.3	Confident	67	Low	19 Å²	19	79.4 Å²	79.4	10%	0.099	43%	0.427	C	S	.	.			trans	-97.8	-5	-171.9	-62.9	169.9	0	0	0	114	A474 Y485 A543 N546 N550 W551 L552	A474-L548 HydrophobicContact CB-CD1 3.76Å; A474-L548 HydrophobicContact CB-CD2 4.15Å; Y485-L548 HydrophobicContact CD2-CD1 4.14Å; Y485-L548 HydrophobicContact CE1-CD1 4.1Å; Y485-L548 HydrophobicContact CE2-CD1 3.59Å; A543-L548 HydrophobicContact CB-CB 4.12Å; A543-L548 WeakPolarHBondContact O-CA 3.37Å; A543-L548 PolarHBondContact O-N 2.65Å; N546-L548 HydrophobicContact CB-CD1 4.4Å; L548-N550 PolarHBondContact O-N 3.21Å; L548-W551 PolarHBondContact O-N 3.46Å; L548-L552 HydrophobicContact CB-CD1 4.04Å; L548-L552 PolarHBondContact O-N 3.05Å
549	S	74.4	Confident	64.1	Low	41 Å²	41	86.2 Å²	86.2	29%	0.287	47%	0.469	S	S	.	.	H	α-helix	trans	-53.7	-45.9	-177.4	35.1	0	0	0	0	113.2	A543 W551 L552 G553	A543-S549 PolarHBondContact O-N 2.91Å; S549-W551 VanDerWaalsContact C-N 3.27Å; S549-W551 PolarHBondContact O-N 2.75Å; S549-L552 PolarHBondContact O-N 3.47Å; S549-G553 WeakPolarHBondContact O-CA 3.33Å; S549-G553 PolarHBondContact O-N 2.91Å
550	N	70.1	Confident	60.9	Low	146 Å²	146	88.6 Å²	88.6	78%	0.781	49%	0.494	S	S	*	.	H	α-helix	trans	-70.3	-22.2	179.8	-65.5	6.3	0	0	0	113.2	L548	L548-N550 PolarHBondContact O-N 3.21Å
551	W	69.6	Low	57.9	Low	141 Å²	141	93.6 Å²	93.6	53%	0.534	52%	0.524	S	S	.	.	H	α-helix	trans	-85.8	-30.8	178.6	179	79.2	0	0	0	112.4	V472 A474 L548 S549	V472-W551 HydrophobicContact CB-CH2 4.01Å; V472-W551 HydrophobicContact CB-CZ3 4.2Å; V472-W551 HydrophobicContact CG1-CH2 4.38Å; V472-W551 HydrophobicContact CG2-CH2 3.94Å; V472-W551 HydrophobicContact CG2-CZ3 3.61Å; A474-W551 HydrophobicContact CB-CE3 4.4Å; A474-W551 HydrophobicContact CB-CH2 4.21Å; A474-W551 HydrophobicContact CB-CZ3 3.73Å; L548-W551 PolarHBondContact O-N 3.46Å; S549-W551 VanDerWaalsContact C-N 3.27Å; S549-W551 PolarHBondContact O-N 2.75Å
552	L	70.6	Confident	55.1	Low	11 Å²	11	95.5 Å²	95.5	6%	0.058	54%	0.537	C	S	.	.	H	α-helix	trans	-80.4	-26.6	170.9	-76.5	147.2	0	0	0	112.4	V472 K487 T503 A543 L548 S549 S554	V472-L552 HydrophobicContact CG2-CD2 3.64Å; K487-L552 HydrophobicContact CB-CD2 3.84Å; K487-L552 HydrophobicContact CG-CD2 4.18Å; T503-L552 HydrophobicContact CG2-CB 4.47Å; A543-L552 HydrophobicContact CB-CD1 3.33Å; L548-L552 HydrophobicContact CB-CD1 4.04Å; L548-L552 PolarHBondContact O-N 3.05Å; S549-L552 PolarHBondContact O-N 3.47Å; L552-S554 PolarHBondContact O-N 2.97Å
553	G	53.8	Low	52.4	Low	55 Å²	55	103.1 Å²	103.1	57%	0.567	58%	0.576	S	S	*	*			trans	-85.5	32.3	-173.3	0	0	0	0	0	117.1	S549	S549-G553 WeakPolarHBondContact O-CA 3.33Å; S549-G553 PolarHBondContact O-N 2.91Å
554	S	33.9	Very low	49.8	Very low	104 Å²	104	107.4 Å²	107.4	73%	0.727	61%	0.611	S	S	*	*			trans	-91	100.9	172.9	-63.4	0	0	0	0	111.1	L552	L552-S554 PolarHBondContact O-N 2.97Å
555	Q	31.4	Very low	47.2	Very low	158 Å²	158	106.7 Å²	106.7	74%	0.738	62%	0.619	S	S	*	*			trans	-114.8	147.4	168.5	-70.2	-149.9	91.4	0	0	111.9
556	T	27.7	Very low	45	Very low	108 Å²	108	104.5 Å²	104.5	66%	0.663	63%	0.626	S	S	*	*			trans	-64.7	150.8	168.9	42.1	0	0	0	0	111	T558	T556-T558 PolarHBondContact O-N 3.47Å; T556-T558 PolarHBondContact O-OG1 3.41Å
557	P	25.5	Very low	42.6	Very low	138 Å²	138	109.7 Å²	109.7	90%	0.896	66%	0.661	S	S	*	*			trans	-64.1	112.4	176.2	27.2	-33.7	0	0	0	109.5
558	T	25	Very low	40.1	Very low	113 Å²	113	112.3 Å²	112.3	69%	0.693	67%	0.671	S	S	*	*			trans	-109.5	132.4	172.7	9.6	0	0	0	0	109.3	T556	T556-T558 PolarHBondContact O-N 3.47Å; T556-T558 PolarHBondContact O-OG1 3.41Å
559	T	33.4	Very low	37.7	Very low	143 Å²	143	118.1 Å²	118.1	88%	0.877	71%	0.707	S	S	*	*			trans	-64	132	-179.6	33.5	0	0	0	0	111.2
560	S	25.8	Very low	35.6	Very low	106 Å²	106	122.4 Å²	122.4	74%	0.741	73%	0.731	S	S	*	*			trans	-121.8	133.4	163.3	51.5	0	0	0	0	108.7	F562	S560-F562 PolarHBondContact O-N 3.47Å
561	N	27.8	Very low	33.7	Very low	160 Å²	160	120.3 Å²	120.3	86%	0.856	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-75.2	122.9	-168.8	-66	-38.1	0	0	0	111.3
562	F	25.9	Very low	31.9	Very low	201 Å²	201	119.2 Å²	119.2	88%	0.882	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-92.1	134.1	154.7	-93.9	-87.4	0	0	0	110.1	S560	S560-F562 PolarHBondContact O-N 3.47Å
563	I	27.1	Very low	30.1	Very low	160 Å²	160	124.9 Å²	124.9	82%	0.821	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-72.4	130.4	-178	-64.9	167.9	0	0	0	109	P565	I563-P565 WeakPolarHBondContact O-CD 3.34Å
564	A	27.8	Very low	28.8	Very low	92 Å²	92	127.5 Å²	127.5	76%	0.76	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-72.2	127.3	-176.5	0	0	0	0	0	112.6
565	P	26.7	Very low	28.6	Very low	125 Å²	125	133.8 Å²	133.8	81%	0.812	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-74	143.7	161.7	-12	29.1	0	0	0	110.7	I563	I563-P565 WeakPolarHBondContact O-CD 3.34Å
566	S	29.3	Very low	28.4	Very low	98 Å²	98	130.2 Å²	130.2	69%	0.685	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-71.1	149.2	176.8	46.1	0	0	0	0	113	S568	S566-S568 PolarHBondContact O-N 3.33Å
567	P	30.2	Very low	28.4	Very low	133 Å²	133	133.3 Å²	133.3	86%	0.864	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66.2	129.8	-178.4	28	-35.1	0	0	0	111.5
568	S	25.1	Very low	28.5	Very low	106 Å²	106	133.5 Å²	133.5	74%	0.741	79%	0.791	S	S	*	*			trans	-117.5	120.2	176.4	-65.3	0	0	0	0	110.8	S566	S566-S568 PolarHBondContact O-N 3.33Å
569	T	31.5	Very low	28.5	Very low	141 Å²	141	130.9 Å²	130.9	87%	0.865	79%	0.786	S	S	*	*			trans	-70.9	135.5	-177.2	-53.4	0	0	0	0	112.5
570	V	28.8	Very low	28.4	Very low	132 Å²	132	135.4 Å²	135.4	80%	0.8	79%	0.787	S	S	*	*			trans	-137.5	143.1	169.3	-150.3	0	0	0	0	106.2
571	P	30.7	Very low	28.5	Very low	101 Å²	101	136.4 Å²	136.4	66%	0.656	79%	0.789	S	S	*	*			trans	-106	170.1	-134.4	19.5	-4.2	0	0	0	116.5
572	P	32.7	Very low	29.5	Very low	119 Å²	119	134 Å²	134	77%	0.773	78%	0.782	S	S	*	*			trans	-74.1	134.7	172.7	30.8	-34.7	0	0	0	112.2	S574	P572-S574 PolarHBondContact O-N 3.39Å
573	P	31.7	Very low	29.7	Very low	130 Å²	130	129 Å²	129	84%	0.844	77%	0.772	S	S	*	*			trans	-77.8	115.3	165	30.8	-31	0	0	0	110
574	S	26.1	Very low	30	Very low	110 Å²	110	131.6 Å²	131.6	77%	0.769	77%	0.773	S	S	*	*			trans	-81.6	142.5	-179.8	55.7	0	0	0	0	113.1	P572	P572-S574 PolarHBondContact O-N 3.39Å
575	Y	30.7	Very low	30.2	Very low	235 Å²	235	134.4 Å²	134.4	92%	0.922	78%	0.775	S	S	*	*			trans	-125.1	138.2	155.5	-98.6	-83.5	0	0	0	111.1
576	S	26.4	Very low	30.4	Very low	83 Å²	83	131.6 Å²	131.6	58%	0.58	77%	0.769	S	S	*	*			trans	-111.4	168.5	-177.9	58.2	0	0	0	0	110.4
577	H	28	Very low	30.4	Very low	173 Å²	173	136 Å²	136	80%	0.801	78%	0.779	S	S	*	*			cis	-121.1	-153.8	-1.5	-62.4	-97.4	0	0	0	108.1
578	V	27.4	Very low	31.9	Very low	142 Å²	142	134.7 Å²	134.7	86%	0.861	77%	0.77	S	S	*	*			cis	-151.6	156.2	8.9	-176.8	0	0	0	0	105.3
579	G	25.3	Very low	32.9	Very low	58 Å²	58	135.4 Å²	135.4	60%	0.598	77%	0.772	S	S	*	*			cis	138.7	141.9	-0.8	0	0	0	0	0	111.5
580	R	30.9	Very low	34.2	Very low	238 Å²	238	134 Å²	134	90%	0.898	77%	0.766	S	S	*	*			trans	74	110.7	-165.4	-56.2	-176.1	174.5	-154.4	-2.1	113.5
581	T	29.5	Very low	34.2	Very low	127 Å²	127	132.4 Å²	132.4	78%	0.779	76%	0.761	S	S	*	*				71.1	144	54	71.9	0	0	0	0	114.3
582	P	47.8	Very low	34.3	Very low	111 Å²	111	137.6 Å²	137.6	72%	0.721	77%	0.768	S	S	*	*			cis	-144.5	165.1	16.2	41.9	-22.6	0	0	0	120
583	S	29.6	Very low	34.2	Very low	95 Å²	95	138.1 Å²	138.1	66%	0.664	77%	0.765	S	S	*	*			trans	76.5	153.4	134.3	62.4	0	0	0	0	125.6
584	Y	33.8	Very low	34.1	Very low	215 Å²	215	139.4 Å²	139.4	84%	0.843	76%	0.759	S	S	*	*			trans	83	137.6	172.2	-68.3	-93.3	0	0	0	118.8
585	D	31.2	Very low	34.1	Very low	151 Å²	151	143.8 Å²	143.8	81%	0.807	76%	0.759	S	S	*	*			cis	-166.2	165.2	-30.2	-161.5	4.9	0	0	0	110.2
586	G	31.3	Very low	34.2	Very low	66 Å²	66	139.5 Å²	139.5	68%	0.68	75%	0.752	S	S	*	*			trans	97.4	129	156.3	0	0	0	0	0	119.6
587	Q	29.6	Very low	34.2	Very low	189 Å²	189	139.7 Å²	139.7	88%	0.883	77%	0.767	S	S	*	*			trans	-114.3	-156.9	161.1	-69.3	-163.9	-52.4	0	0	110.2
588	P	61.5	Low	34.1	Very low	106 Å²	106	135.1 Å²	135.1	69%	0.688	77%	0.766	S	S	*	*				-112.7	-174.3	-91.7	39.3	-23.8	0	0	0	112.1
589	P	46.7	Very low	34.2	Very low	121 Å²	121	132.8 Å²	132.8	79%	0.786	76%	0.762	S	S	*	*				-157.2	172.5	97.6	40.4	-22	0	0	0	117
590	P	57.5	Low	34.3	Very low	112 Å²	112	135.9 Å²	135.9	73%	0.727	78%	0.775	S	S	*	*			trans	-109.5	168.5	163.3	39.9	-32.2	0	0	0	113.6
591	S	30.5	Very low	34.2	Very low	99 Å²	99	128.3 Å²	128.3	69%	0.692	77%	0.77	S	S	*	*			trans	154.7	140.3	137.9	-78	0	0	0	0	117.3
592	Y	32.3	Very low	34.1	Very low	209 Å²	209	127.6 Å²	127.6	82%	0.82	78%	0.777	S	S	*	*			trans	32.2	143.4	145.9	-61.4	-76.9	0	0	0	121.9
593	N	29.8	Very low	33.2	Very low	131 Å²	131	126 Å²	126	70%	0.701	78%	0.782	S	S	*	*				-173	154.3	66	-128.1	-20.3	0	0	0	118.4
594	H	30.3	Very low	33.1	Very low	156 Å²	156	125 Å²	125	72%	0.722	79%	0.786	S	S	*	*			trans	35.8	119.3	144.8	-79.4	-33.7	0	0	0	128
595	R	26.1	Very low	32.9	Very low	203 Å²	203	119.9 Å²	119.9	77%	0.766	78%	0.781	S	S	*	*				89.6	124.2	99.8	-161.5	-178.9	-172.2	-169.2	4.5	124
596	N	31.8	Very low	32.7	Very low	145 Å²	145	118.8 Å²	118.8	78%	0.775	79%	0.786	S	S	*	*			trans	67.1	131.3	148.8	-76.1	20.4	0	0	0	124.9
597	G	27.1	Very low	32.6	Very low	87 Å²	87	119.5 Å²	119.5	90%	0.897	79%	0.793	S	S	*	*			trans	89	153.1	137	0	0	0	0	0	118.1
598	G	25.4	Very low	32.5	Very low	76 Å²	76	121.6 Å²	121.6	78%	0.784	79%	0.793	S	S	*	*			cis	159.7	146.1	-11	0	0	0	0	0	114.6
599	A	29.4	Very low	31	Very low	94 Å²	94	123.7 Å²	123.7	78%	0.777	80%	0.799	S	S	*	*			trans	72.5	107.9	160.2	0	0	0	0	0	122
600	S	28.7	Very low	30	Very low	123 Å²	123	123.9 Å²	123.9	86%	0.86	80%	0.803	S	S	*	*				54.3	131	127.5	64.6	0	0	0	0	124
601	G	27.4	Very low	28.6	Very low	78 Å²	78	123 Å²	123	80%	0.804	80%	0.804	S	S	*	*			trans	-170.3	144.7	157.4	0	0	0	0	0	112.3
602	A	28.6	Very low	28.4	Very low	112 Å²	112	128.2 Å²	128.2	93%	0.926	82%	0.815	S	S	*	*			trans	-69.5	166.6	177.1	0	0	0	0	0	112.1
603	G	27.7	Very low	28.2	Very low	79 Å²	79	125.1 Å²	125.1	81%	0.814	82%	0.818	S	S	*	*			cis	151.7	171.3	3.4	0	0	0	0	0	109.5
604	G	28.5	Very low	27.9	Very low	73 Å²	73	122.9 Å²	122.9	75%	0.753	82%	0.817	S	S	*	*			trans	120.9	111.7	167.5	0	0	0	0	0	118.1
605	S	28.5	Very low	29	Very low	107 Å²	107	118.4 Å²	118.4	75%	0.748	80%	0.802	S	S	*	*			trans	24.6	129	137.7	59.9	0	0	0	0	123.1
606	S	28.4	Very low	29	Very low	129 Å²	129	113.9 Å²	113.9	90%	0.902	79%	0.793	S	S	*	*			trans	67.9	141.6	132.4	-56.9	0	0	0	0	121.1
607	G	27.9	Very low	28.8	Very low	81 Å²	81	110.2 Å²	110.2	84%	0.835	78%	0.778	S	S	*	*			trans	154.3	97.6	159.8	0	0	0	0	0	115.9
608	R	28.1	Very low	28.9	Very low	233 Å²	233	110.3 Å²	110.3	88%	0.879	76%	0.758	S	S	*	*			trans	-68.7	148.9	176.6	-83	176.5	174.2	166	-3.5	114.4
609	N	29.3	Very low	29.1	Very low	150 Å²	150	110.5 Å²	110.5	80%	0.802	75%	0.748	S	S	*	*			trans	65.3	118.3	143.5	-58.1	6.7	0	0	0	120
610	S	26.8	Very low	29.1	Very low	125 Å²	125	111.3 Å²	111.3	87%	0.874	75%	0.747	S	S	*	*			trans	-81.5	152.5	162.4	52.3	0	0	0	0	112.6
611	A	27.8	Very low	29.3	Very low	92 Å²	92	109.8 Å²	109.8	76%	0.76	74%	0.737	S	S	*	*			trans	-124.8	164.7	177	0	0	0	0	0	113.1
612	F	26.5	Very low	29.3	Very low	209 Å²	209	113.2 Å²	113.2	92%	0.917	74%	0.737	S	S	*	*			trans	-27.5	139.5	173.8	-77.8	-100.5	0	0	0	118.4
613	V	28.2	Very low	29.4	Very low	145 Å²	145	111.9 Å²	111.9	88%	0.879	73%	0.726	S	S	*	*			trans	-142.5	146.8	149.7	-177.6	0	0	0	0	109.8
614	A	22.8	Very low	29.4	Very low	83 Å²	83	113.8 Å²	113.8	69%	0.686	73%	0.727	S	S	*	*			trans	-157.3	171.5	167.1	0	0	0	0	0	108
615	P	54.4	Low	29.5	Very low	63 Å²	63	115.2 Å²	115.2	41%	0.409	73%	0.725	S	S	.	*			cis	-127.2	-159.8	-33.9	33.7	-15.6	0	0	0	111.4	Q1045	P615-Q1045 WeakPolarHBondContact CB-O 3.41Å; P615-Q1045 WeakPolarHBondContact CG-O 3.48Å
616	L	26.2	Very low	29.6	Very low	108 Å²	108	115.3 Å²	115.3	57%	0.565	73%	0.726	S	S	*	*				151.1	138.2	129.1	-79.8	-177.3	0	0	0	117.2	Y1044	L616-Y1044 VanDerWaalsContact CD2-CB 3.45Å; L616-Y1044 HydrophobicContact CD2-CD2 4.32Å; L616-Y1044 HydrophobicContact CD2-CG 4.36Å
617	S	27.6	Very low	29.9	Very low	68 Å²	68	116.7 Å²	116.7	48%	0.476	72%	0.718	S	S	.	*			trans	82.2	70.8	140	-58.1	0	0	0	0	124.2	Y1044	S617-Y1044 WeakPolarHBondContact OG-CD2 3.42Å; S617-Y1044 WeakPolarHBondContact OG-CE2 3.47Å
618	N	28.3	Very low	29.9	Very low	88 Å²	88	119.9 Å²	119.9	47%	0.471	71%	0.713	S	S	.	*				35.7	148.5	119.6	-129.6	22.9	0	0	0	127.2	Y1044 Q1045	N618-Y1044 HydrophobicContact CB-CE1 3.6Å; N618-Y1044 HydrophobicContact CB-CE2 4.08Å; N618-Y1044 WeakPolarHBondContact CB-OH 3.5Å; N618-Y1044 WeakPolarHBondContact ND2-CE1 3.43Å; N618-Y1044 PolarHBondContact ND2-OH 3.21Å; N618-Q1045 VanDerWaalsContact CB-OE1 3.3Å; N618-Q1045 VanDerWaalsContact CG-NE2 3.32Å; N618-Q1045 PolarHBondContact OD1-NE2 2.9Å
619	S	29.9	Very low	29.9	Very low	81 Å²	81	115.4 Å²	115.4	57%	0.566	70%	0.702	S	S	*	*			trans	98.4	120.1	132.8	-84.6	0	0	0	0	125
620	S	29.2	Very low	30	Very low	110 Å²	110	115 Å²	115	77%	0.769	70%	0.695	S	S	*	*			trans	74.7	149.3	135.6	71.8	0	0	0	0	121.2
621	S	33.2	Very low	30.1	Very low	92 Å²	92	116.1 Å²	116.1	64%	0.643	69%	0.686	S	S	*	*			cis	-170.4	178	-21.3	56.1	0	0	0	0	112.3
622	N	28.2	Very low	30	Very low	149 Å²	149	122.2 Å²	122.2	80%	0.797	69%	0.691	S	S	*	*			trans	82.9	113.5	147.9	-70.8	-9.2	0	0	0	123.9
623	A	29.9	Very low	30.1	Very low	84 Å²	84	115.9 Å²	115.9	69%	0.694	68%	0.677	S	S	*	*				95.8	106.6	110.9	0	0	0	0	0	123.8
624	S	28.7	Very low	30.2	Very low	120 Å²	120	116.3 Å²	116.3	84%	0.839	67%	0.669	S	S	*	*				71	131.6	116.2	-50.6	0	0	0	0	124.2
625	S	29.9	Very low	30.7	Very low	103 Å²	103	119.4 Å²	119.4	72%	0.72	67%	0.669	S	S	*	*				134.6	124.4	111.9	-162.8	0	0	0	0	119.4
626	S	30.9	Very low	29.6	Very low	108 Å²	108	122.1 Å²	122.1	76%	0.755	68%	0.68	S	S	*	*			trans	62.5	165.3	146.2	75.1	0	0	0	0	120.1
627	H	33.3	Very low	29.8	Very low	159 Å²	159	123.4 Å²	123.4	74%	0.736	69%	0.685	S	S	*	*			cis	-163.9	167.8	12.6	-157.4	40.5	0	0	0	114.9
628	M	27.9	Very low	29.9	Very low	147 Å²	147	126.5 Å²	126.5	72%	0.724	69%	0.694	S	S	*	*			trans	41	113.5	158.8	-89.9	-158.3	-66	0	0	126.5
629	Q	28.5	Very low	29.9	Very low	140 Å²	140	130.3 Å²	130.3	65%	0.654	71%	0.708	S	S	*	*				51.7	113.4	96	-142.2	74.5	8.9	0	0	123.7
630	Q	31.3	Very low	29.9	Very low	142 Å²	142	134 Å²	134	66%	0.664	72%	0.722	S	S	*	*			trans	38.9	146.7	138.1	-51.5	173.7	-48.4	0	0	122.2
631	H	29.6	Very low	29.9	Very low	147 Å²	147	132 Å²	132	68%	0.681	72%	0.718	S	S	*	*				-177.3	173	51.8	-132.3	-72.4	0	0	0	112
632	Y	26	Very low	29.6	Very low	220 Å²	220	135.3 Å²	135.3	86%	0.863	73%	0.729	S	S	*	*			trans	74.9	153.6	173.5	-64.7	-88.7	0	0	0	119.1
633	A	28.8	Very low	29.6	Very low	76 Å²	76	136.5 Å²	136.5	63%	0.628	73%	0.734	S	S	*	*			cis	-172.7	146.3	-38.2	0	0	0	0	0	114.4
634	H	30.2	Very low	29.5	Very low	155 Å²	155	137.8 Å²	137.8	72%	0.718	74%	0.738	S	S	*	*			trans	81.4	141.1	140.4	-99	-114.6	0	0	0	125.5
635	H	32.6	Very low	29.4	Very low	148 Å²	148	136.9 Å²	136.9	69%	0.685	74%	0.738	S	S	*	*			trans	66.5	143.4	162.1	-64.1	-55	0	0	0	117.6
636	N	31.2	Very low	29.5	Very low	119 Å²	119	136.4 Å²	136.4	64%	0.636	74%	0.74	S	S	*	*			cis	-166.5	167.6	1.2	-112.1	-2.5	0	0	0	109.2
637	M	31	Very low	29.9	Very low	136 Å²	136	137.6 Å²	137.6	67%	0.67	75%	0.745	S	S	*	*			cis	-163.1	150	-5.2	-136.1	-170.8	-168	0	0	110.5
638	M	28.9	Very low	29.5	Very low	133 Å²	133	133.8 Å²	133.8	66%	0.655	75%	0.749	S	S	*	*			trans	61	155.6	153.3	-62.5	-42.9	167.8	0	0	121.9
639	H	28.9	Very low	29.5	Very low	168 Å²	168	131.5 Å²	131.5	78%	0.778	75%	0.753	S	S	*	*			cis	-139.2	154.4	0.7	-131	-57.5	0	0	0	112.3
640	N	30.5	Very low	29.9	Very low	158 Å²	158	130.6 Å²	130.6	85%	0.845	76%	0.76	S	S	*	*			trans	-130.9	161.9	169.8	-169	11.2	0	0	0	109.1
641	G	27.5	Very low	29.7	Very low	67 Å²	67	129 Å²	129	69%	0.691	77%	0.77	S	S	*	*			trans	-168.7	121.1	-177.6	0	0	0	0	0	117
642	N	28.8	Very low	29.7	Very low	162 Å²	162	125.9 Å²	125.9	87%	0.866	78%	0.778	S	S	*	*			trans	-76.8	161.3	165.3	-76.4	-26.7	0	0	0	111.7
643	L	27.7	Very low	29.7	Very low	175 Å²	175	122.3 Å²	122.3	92%	0.916	77%	0.774	S	S	*	*			trans	-167.5	171.9	131.4	-107.3	164.9	0	0	0	112.7
644	S	27.4	Very low	30.3	Very low	111 Å²	111	123.6 Å²	123.6	78%	0.776	78%	0.776	S	S	*	*			trans	-107.6	172.8	-164.5	-53.7	0	0	0	0	114.7
645	A	26.3	Very low	30.1	Very low	101 Å²	101	123.6 Å²	123.6	84%	0.835	77%	0.774	S	S	*	*			trans	84	142.4	157.3	0	0	0	0	0	119.3
646	A	33	Very low	29.8	Very low	92 Å²	92	124.1 Å²	124.1	76%	0.76	78%	0.776	S	S	*	*			trans	-90.3	153	159.4	0	0	0	0	0	108.6
647	P	37.5	Very low	29.6	Very low	134 Å²	134	128.2 Å²	128.2	87%	0.87	78%	0.784	S	S	*	*				-149.8	178.3	80.6	40.8	-23.8	0	0	0	115.4
648	G	25.6	Very low	29.3	Very low	79 Å²	79	132.1 Å²	132.1	81%	0.814	79%	0.792	S	S	*	*			trans	106.8	113.1	149.9	0	0	0	0	0	117.4
649	A	28.1	Very low	29.1	Very low	98 Å²	98	130.1 Å²	130.1	81%	0.81	79%	0.791	S	S	*	*			trans	-86.5	161.7	149.2	0	0	0	0	0	108.6
650	P	37.8	Very low	29	Very low	122 Å²	122	126.8 Å²	126.8	79%	0.792	79%	0.787	S	S	*	*				-151	167.4	81.1	40.1	-22.4	0	0	0	117.3
651	A	26.6	Very low	28.7	Very low	107 Å²	107	124.9 Å²	124.9	88%	0.884	79%	0.786	S	S	*	*			trans	52.2	120.6	147.4	0	0	0	0	0	121.2
652	G	28.4	Very low	28.6	Very low	82 Å²	82	125.9 Å²	125.9	85%	0.845	79%	0.787	S	S	*	*			trans	-169.7	13.7	171	0	0	0	0	0	117.6
653	D	26.9	Very low	28.5	Very low	145 Å²	145	123.8 Å²	123.8	78%	0.775	79%	0.785	S	S	*	*			trans	-76.3	139.5	176.4	-156.6	-6.6	0	0	0	109.6	K655	D653-K655 PolarHBondContact OD1-N 2.98Å
654	P	40.6	Very low	28.4	Very low	104 Å²	104	122.5 Å²	122.5	68%	0.675	78%	0.779	S	S	*	*				-149.4	129.3	92.2	32.5	-11.4	0	0	0	118
655	K	27.8	Very low	28.3	Very low	154 Å²	154	124.3 Å²	124.3	67%	0.67	78%	0.779	S	S	*	*				83.9	121.9	123.4	-68.2	176	-175	172	0	124.3	D653	D653-K655 PolarHBondContact OD1-N 2.98Å
656	H	25.4	Very low	28.4	Very low	159 Å²	159	128.3 Å²	128.3	74%	0.736	78%	0.781	S	S	*	*			trans	68	150.3	137.8	-47.6	-31.1	0	0	0	118.5
657	Y	27.6	Very low	28.1	Very low	206 Å²	206	132.2 Å²	132.2	81%	0.808	78%	0.783	S	S	*	*			cis	-118.3	147.7	12	-109.5	-118.6	0	0	0	110.4
658	R	23.4	Very low	27.5	Very low	217 Å²	217	133.5 Å²	133.5	82%	0.819	78%	0.782	S	S	*	*				48.5	138.2	77	-80.4	-165.5	178.6	-171.7	1.4	115.9
659	S	26.2	Very low	27.7	Very low	92 Å²	92	134.3 Å²	134.3	64%	0.643	77%	0.774	S	S	*	*			cis	-174.8	179.8	-12.3	51.5	0	0	0	0	111.6
660	S	25	Very low	27.6	Very low	98 Å²	98	137.7 Å²	137.7	69%	0.685	78%	0.778	S	S	*	*			trans	65.8	95.2	143	52	0	0	0	0	121.3
661	S	24.5	Very low	27.1	Very low	118 Å²	118	136.9 Å²	136.9	83%	0.825	78%	0.782	S	S	*	*				24.8	146	107.4	-40.1	0	0	0	0	123.4
662	A	25.2	Very low	27	Very low	87 Å²	87	136.9 Å²	136.9	72%	0.719	78%	0.775	S	S	*	*			trans	85.4	128.9	135.7	0	0	0	0	0	122.5
663	S	27.8	Very low	26.8	Very low	118 Å²	118	142.5 Å²	142.5	83%	0.825	78%	0.776	S	S	*	*			trans	-174.2	112.9	138.1	-71.1	0	0	0	0	105.9
664	D	25.6	Very low	26.7	Very low	149 Å²	149	141.5 Å²	141.5	80%	0.797	78%	0.781	S	S	*	*				61.3	117.6	69.1	-76.9	-43.1	0	0	0	115.2
665	L	26	Very low	26	Very low	148 Å²	148	145.9 Å²	145.9	78%	0.775	79%	0.792	S	S	*	*				-175.9	117.2	117.7	-96.5	163.5	0	0	0	114.3
666	Q	27	Very low	25.9	Very low	186 Å²	186	144 Å²	144	87%	0.869	80%	0.799	S	S	*	*			trans	75.6	158.8	145.4	-77.9	166.1	-4.7	0	0	122.9
667	H	27	Very low	25.8	Very low	173 Å²	173	141.2 Å²	141.2	80%	0.801	80%	0.797	S	S	*	*			trans	-111	159.3	-165.1	-102.5	12.8	0	0	0	110.9
668	D	25.1	Very low	25.8	Very low	161 Å²	161	139.2 Å²	139.2	86%	0.861	80%	0.797	S	S	*	*				-158.7	147.9	109.1	-120.3	-0.4	0	0	0	113.1
669	P	30.5	Very low	26	Very low	97 Å²	97	135.4 Å²	135.4	63%	0.63	80%	0.798	S	S	*	*			trans	-109.7	108.8	-168.5	37.2	-28	0	0	0	114.2
670	N	26.3	Very low	25.9	Very low	169 Å²	169	134.5 Å²	134.5	90%	0.904	80%	0.804	S	S	*	*			trans	-162.5	89	160.6	-109.3	-39.4	0	0	0	112.9
671	A	26.3	Very low	25.8	Very low	105 Å²	105	134.9 Å²	134.9	87%	0.868	81%	0.806	S	S	*	*			trans	-155	41.6	176.8	0	0	0	0	0	113.9
672	S	24.6	Very low	26.1	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	81%	0.811	S	S	*	*			trans	-134	152	172.4	-82.3	0	0	0	0	111
673	F	24.5	Very low	26.4	Very low	200 Å²	200	140.1 Å²	140.1	88%	0.877	81%	0.813	S	S	*	*			trans	63.2	97.3	-177.3	-73	-88.7	0	0	0	117.2
674	S	24.7	Very low	26.8	Very low	125 Å²	125	137.2 Å²	137.2	87%	0.874	79%	0.793	S	S	*	*			trans	-165	72.9	136.7	-84.1	0	0	0	0	111.8
675	Q	26.1	Very low	27.4	Very low	195 Å²	195	133.9 Å²	133.9	91%	0.911	78%	0.781	S	S	*	*			trans	-119.4	100	154.8	-79.9	-157.5	13.6	0	0	109.3
676	S	24.8	Very low	28.1	Very low	115 Å²	115	129.5 Å²	129.5	80%	0.804	76%	0.76	S	S	*	*			trans	-166.8	145.2	164.7	-82.5	0	0	0	0	110.5
677	S	24.7	Very low	28.3	Very low	101 Å²	101	123.2 Å²	123.2	71%	0.706	73%	0.73	S	S	*	*			trans	63.8	98.7	163	-65.9	0	0	0	0	118.2
678	M	26.1	Very low	28.7	Very low	164 Å²	164	119.8 Å²	119.8	81%	0.808	72%	0.718	S	S	*	*				-172.7	148	84.4	-95	-66.5	104	0	0	113.6
679	T	27.3	Very low	29.3	Very low	137 Å²	137	119.1 Å²	119.1	84%	0.84	71%	0.707	S	S	*	*			trans	-87.8	161.2	168.1	49.6	0	0	0	0	110.4
680	G	24.5	Very low	29.9	Very low	73 Å²	73	115.7 Å²	115.7	75%	0.753	68%	0.684	S	S	*	*			trans	173.1	10.5	178.1	0	0	0	0	0	122.3
681	S	23.8	Very low	30.9	Very low	106 Å²	106	108.2 Å²	108.2	74%	0.741	64%	0.644	S	S	*	*			trans	-160	139.8	168.7	-86.5	0	0	0	0	113.4	R683	S681-R683 VanDerWaalsContact C-N 3.32Å; S681-R683 PolarHBondContact O-N 3.11Å
682	A	30.7	Very low	31.8	Very low	111 Å²	111	104.1 Å²	104.1	92%	0.917	61%	0.609	S	S	*	*	S	Bend	trans	-75	74.7	-175.7	0	0	0	0	0	112.9
683	R	30.4	Very low	32.9	Very low	203 Å²	203	101.2 Å²	101.2	77%	0.766	58%	0.584	S	S	*	*			trans	-154.8	48.3	168.1	-120.1	174.2	-177.2	-157.5	-1.9	113.1	S681 R1081	S681-R683 VanDerWaalsContact C-N 3.32Å; S681-R683 PolarHBondContact O-N 3.11Å; R683-R1081 PolarHBondContact O-NH1 3.04Å; R683-R1081 VanDerWaalsContact O-NH1 3.09Å
684	S	37.8	Very low	33.9	Very low	58 Å²	58	94.2 Å²	94.2	41%	0.406	55%	0.552	S	S	.	*			trans	-133.2	141.4	159.3	-161.9	0	0	0	0	111	D688	S684-D688 VanDerWaalsContact CB-OD2 3.26Å; S684-D688 WeakPolarHBondContact CB-OD2 3.3Å; S684-D688 VanDerWaalsContact OG-CG 3.29Å; S684-D688 PolarHBondContact OG-OD2 3Å
685	S	38.2	Very low	34.9	Very low	79 Å²	79	93 Å²	93	55%	0.552	53%	0.528	S	S	*	.	S	Bend	trans	-169.3	-2.9	178.5	59.1	0	0	0	0	115.1	K689	S685-K689 WeakPolarHBondContact O-CD 3.17Å; S685-K689 WeakPolarHBondContact O-CE 3.42Å
686	V	39.2	Very low	35.6	Very low	56 Å²	56	88.5 Å²	88.5	34%	0.339	51%	0.507	S	S	.	.	S	Bend	trans	-128	-60.6	-172.2	-172.8	0	0	0	0	112.3	L354 D688 K689 L690	L354-V686 HydrophobicContact CD2-CG1 3.91Å; V686-D688 VanDerWaalsContact C-N 3.31Å; V686-D688 PolarHBondContact O-N 3.46Å; V686-K689 WeakPolarHBondContact O-CA 3.33Å; V686-K689 WeakPolarHBondContact O-CB 3.24Å; V686-K689 PolarHBondContact O-N 3.38Å; V686-L690 PolarHBondContact O-N 3.17Å
687	F	32.3	Very low	36	Very low	53 Å²	53	87.1 Å²	87.1	23%	0.232	50%	0.497	C	S	.	.	G	3₁₀ helix	trans	-60.5	-39.7	179.1	-106.5	-93.1	0	0	0	112.4	K689 L690	F687-K689 PolarHBondContact O-N 3.41Å; F687-K689 VanDerWaalsContact O-N 3.11Å; F687-L690 HydrophobicContact CD1-CD1 3.75Å; F687-L690 HydrophobicContact CE1-CD1 3.96Å; F687-L690 HydrophobicContact CG-CD1 4.07Å; F687-L690 HydrophobicContact CZ-CD1 4.47Å; F687-L690 WeakPolarHBondContact O-CB 3.38Å; F687-L690 PolarHBondContact O-N 2.9Å; F687-L690 VanDerWaalsContact O-N 3.13Å
688	D	35.3	Very low	36.4	Very low	102 Å²	102	87.5 Å²	87.5	55%	0.545	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-73.9	4.7	176.1	-56.1	-25.2	0	0	0	113.6	S684 V686 R695	S684-D688 VanDerWaalsContact CB-OD2 3.26Å; S684-D688 WeakPolarHBondContact CB-OD2 3.3Å; S684-D688 VanDerWaalsContact OG-CG 3.29Å; S684-D688 PolarHBondContact OG-OD2 3Å; V686-D688 VanDerWaalsContact C-N 3.31Å; V686-D688 PolarHBondContact O-N 3.46Å; D688-R695 PolarHBondContact O-NH2 3.29Å
689	K	38.1	Very low	36.7	Very low	147 Å²	147	90.7 Å²	90.7	64%	0.639	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-108.7	-5.8	170	-62.1	-168.4	-179.9	-176.5	0	113.9	S685 V686 F687	S685-K689 WeakPolarHBondContact O-CD 3.17Å; S685-K689 WeakPolarHBondContact O-CE 3.42Å; V686-K689 WeakPolarHBondContact O-CA 3.33Å; V686-K689 WeakPolarHBondContact O-CB 3.24Å; V686-K689 PolarHBondContact O-N 3.38Å; F687-K689 PolarHBondContact O-N 3.41Å; F687-K689 VanDerWaalsContact O-N 3.11Å
690	L	42.4	Very low	36.9	Very low	25 Å²	25	86.7 Å²	86.7	13%	0.131	48%	0.475	C	S	.	.	S	Bend	trans	-72	137.1	172.3	-58.2	172.1	0	0	0	108.9	L351 V686 F687 Y694 R695	L351-L690 HydrophobicContact CD2-CD2 3.52Å; V686-L690 PolarHBondContact O-N 3.17Å; F687-L690 HydrophobicContact CD1-CD1 3.75Å; F687-L690 HydrophobicContact CE1-CD1 3.96Å; F687-L690 HydrophobicContact CG-CD1 4.07Å; F687-L690 HydrophobicContact CZ-CD1 4.47Å; F687-L690 WeakPolarHBondContact O-CB 3.38Å; F687-L690 PolarHBondContact O-N 2.9Å; F687-L690 VanDerWaalsContact O-N 3.13Å; L690-Y694 HydrophobicContact CB-CD2 4.45Å; L690-R695 PolarHBondContact O-NE 2.73Å; L690-R695 PolarHBondContact O-NH2 3.44Å
691	P	46.4	Very low	37.1	Very low	12 Å²	12	89.3 Å²	89.3	8%	0.078	48%	0.477	C	S	.	.			trans	-54.3	154.5	171	-29	34.8	0	0	0	113.6	H693 Y694 R695	P691-H693 WeakPolarHBondContact CB-CE1 3.2Å; P691-H693 PolarHBondContact O-N 2.66Å; P691-H693 VanDerWaalsContact O-N 3.08Å; P691-Y694 HydrophobicContact CB-CD2 4.2Å; P691-Y694 HydrophobicContact CG-CD2 4.28Å; P691-Y694 HydrophobicContact CG-CE2 4.36Å; P691-Y694 WeakPolarHBondContact O-CB 3.3Å; P691-Y694 PolarHBondContact O-N 3.06Å; P691-R695 PolarHBondContact O-N 3.39Å
692	S	45.9	Very low	37.4	Very low	19 Å²	19	89 Å²	89	13%	0.133	47%	0.47	C	S	.	.	H	α-helix	trans	-55	-28.3	-179.3	61.4	0	0	0	0	113.9	D337 Y694 R695 H696	D337-S692 VanDerWaalsContact CG-CB 3.49Å; D337-S692 VanDerWaalsContact CG-N 3.28Å; D337-S692 WeakPolarHBondContact OD1-CB 3.45Å; D337-S692 PolarHBondContact OD1-N 2.96Å; D337-S692 WeakPolarHBondContact OD2-CA 3.11Å; D337-S692 WeakPolarHBondContact OD2-CB 3.41Å; D337-S692 PolarHBondContact OD2-N 2.99Å; D337-S692 PolarHBondContact OD2-OG 2.66Å; S692-Y694 PolarHBondContact O-N 2.84Å; S692-R695 PolarHBondContact O-N 2.85Å; S692-H696 PolarHBondContact O-N 3.45Å; S692-H696 VanDerWaalsContact O-N 3.08Å; S692-H696 PolarHBondContact O-ND1 3.28Å
693	H	48.1	Very low	37.3	Very low	45 Å²	45	91.2 Å²	91.2	21%	0.208	47%	0.465	C	S	.	.	H	α-helix	trans	-65.5	-17.8	175.3	57.8	-105.8	0	0	0	113.9	P691	P691-H693 WeakPolarHBondContact CB-CE1 3.2Å; P691-H693 PolarHBondContact O-N 2.66Å; P691-H693 VanDerWaalsContact O-N 3.08Å
694	Y	46.1	Very low	37	Very low	52 Å²	52	89.1 Å²	89.1	20%	0.204	46%	0.464	C	S	.	.	H	α-helix	trans	-93.8	-15.4	166.1	-63.2	-76.1	0	0	0	114	C264 H265 L349 L351 L690 P691 S692	C264-Y694 VanDerWaalsContact SG-CE1 3.59Å; H265-Y694 AromaticContact CE1-CE1 3.72Å; H265-Y694 AromaticContact CE1-CZ 3.82Å; H265-Y694 PolarHBondContact CE1-OH 3.5Å; H265-Y694 PolarHBondContact ND1-OH 2.89Å; L349-Y694 WeakPolarHBondContact CD1-OH 3.37Å; L351-Y694 HydrophobicContact CD1-CE1 4.22Å; L351-Y694 HydrophobicContact CD2-CD1 4.5Å; L351-Y694 HydrophobicContact CD2-CD2 3.94Å; L351-Y694 HydrophobicContact CD2-CE1 4.19Å; L351-Y694 HydrophobicContact CD2-CE2 3.56Å; L351-Y694 HydrophobicContact CD2-CG 4.4Å; L351-Y694 HydrophobicContact CG-CE2 4.13Å; L690-Y694 HydrophobicContact CB-CD2 4.45Å; P691-Y694 HydrophobicContact CB-CD2 4.2Å; P691-Y694 HydrophobicContact CG-CD2 4.28Å; P691-Y694 HydrophobicContact CG-CE2 4.36Å; P691-Y694 WeakPolarHBondContact O-CB 3.3Å; P691-Y694 PolarHBondContact O-N 3.06Å; S692-Y694 PolarHBondContact O-N 2.84Å
695	R	44.3	Very low	36.7	Very low	101 Å²	101	91.9 Å²	91.9	38%	0.381	48%	0.48	S	S	.	.	H	α-helix	trans	-85.7	-28.7	-179.1	-58.3	-175	-162.6	-161.8	4.1	112.5	D688 L690 P691 S692	D688-R695 PolarHBondContact O-NH2 3.29Å; L690-R695 PolarHBondContact O-NE 2.73Å; L690-R695 PolarHBondContact O-NH2 3.44Å; P691-R695 PolarHBondContact O-N 3.39Å; S692-R695 PolarHBondContact O-N 2.85Å
696	H	40.7	Very low	36.2	Very low	100 Å²	100	94.8 Å²	94.8	46%	0.463	50%	0.495	S	S	.	.			trans	-128.5	74.3	-168.7	-51.5	111.3	0	0	0	113	S692 T698	S692-H696 PolarHBondContact O-N 3.45Å; S692-H696 VanDerWaalsContact O-N 3.08Å; S692-H696 PolarHBondContact O-ND1 3.28Å; H696-T698 PolarHBondContact O-N 3.07Å
697	S	33.6	Very low	35.5	Very low	86 Å²	86	103.1 Å²	103.1	60%	0.601	52%	0.52	S	S	*	.			trans	-83	74.7	156.9	-159.3	0	0	0	0	109.5	E263	E263-S697 PolarHBondContact OE2-OG 3.12Å
698	T	33.5	Very low	35.4	Very low	109 Å²	109	106.2 Å²	106.2	67%	0.669	55%	0.545	S	S	*	.			trans	-143.3	118.8	175.4	50.2	0	0	0	0	108.6	H696	H696-T698 PolarHBondContact O-N 3.07Å
699	R	32.1	Very low	35.1	Very low	231 Å²	231	107.2 Å²	107.2	87%	0.872	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-53.7	137.7	176.3	-97.4	-175.5	171	-164.7	-2.6	111.3
700	P	31.6	Very low	34.7	Very low	53 Å²	53	105 Å²	105	34%	0.344	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-62.9	149.2	168.7	-16.2	28.6	0	0	0	111.5	Y291	Y291-P700 HydrophobicContact CD1-CG 4.19Å; Y291-P700 HydrophobicContact CD2-CG 3.75Å; Y291-P700 HydrophobicContact CG-CG 3.6Å
701	T	29.6	Very low	34.1	Very low	128 Å²	128	112.8 Å²	112.8	79%	0.785	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-79.6	131.5	164	-57.8	0	0	0	0	108.8	I703	T701-I703 PolarHBondContact O-N 3.33Å
702	V	28.7	Very low	33.1	Very low	100 Å²	100	117.8 Å²	117.8	61%	0.606	64%	0.64	S	S	*	*			trans	-67.1	115.3	-179.5	178.6	0	0	0	0	110.1
703	I	29.1	Very low	32.3	Very low	156 Å²	156	122.4 Å²	122.4	80%	0.8	67%	0.67	S	S	*	*			trans	-90	107.7	172.4	-58.7	176	0	0	0	107.9	T701	T701-I703 PolarHBondContact O-N 3.33Å
704	Q	25.2	Very low	31.2	Very low	160 Å²	160	126 Å²	126	75%	0.748	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-70.5	144.4	172.1	-69.9	-171.8	-6	0	0	111
705	P	30.4	Very low	30.3	Very low	115 Å²	115	128.5 Å²	128.5	75%	0.747	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-63	137.6	172.9	26.5	-33.7	0	0	0	111	R707	P705-R707 PolarHBondContact O-N 3.24Å
706	T	27.1	Very low	29.5	Very low	140 Å²	140	132 Å²	132	86%	0.859	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-67.4	117.6	-172.8	49	0	0	0	0	112.5
707	R	25.9	Very low	28.9	Very low	232 Å²	232	138.7 Å²	138.7	88%	0.875	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-66	135.3	170.3	-168	-179.5	-168.9	176.6	4.9	110.4	P705	P705-R707 PolarHBondContact O-N 3.24Å
708	P	30.1	Very low	28.6	Very low	117 Å²	117	144.1 Å²	144.1	76%	0.76	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-62.1	143.3	174.1	25.4	-33.8	0	0	0	111.3	A710	P708-A710 PolarHBondContact O-N 3.14Å
709	S	28.3	Very low	28.3	Very low	123 Å²	123	143.9 Å²	143.9	86%	0.86	80%	0.8	S	S	*	*			trans	-76.3	110.5	-168.8	42.8	0	0	0	0	113.2
710	A	28.6	Very low	27.9	Very low	100 Å²	100	138 Å²	138	83%	0.826	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-83.4	133.2	165	0	0	0	0	0	110.3	P708	P708-A710 PolarHBondContact O-N 3.14Å
711	Q	30.9	Very low	27.7	Very low	190 Å²	190	140 Å²	140	89%	0.888	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-75.5	146	176.3	-67	173.4	-14.1	0	0	111
712	S	25.5	Very low	27.6	Very low	117 Å²	117	138.9 Å²	138.9	82%	0.818	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-71.3	139.1	-176.9	-161.4	0	0	0	0	111.7
713	P	28.9	Very low	27.5	Very low	116 Å²	116	139.5 Å²	139.5	75%	0.753	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-83.9	137.8	-166	32	-35.7	0	0	0	114
714	S	25.5	Very low	27.9	Very low	120 Å²	120	137.6 Å²	137.6	84%	0.839	83%	0.832	S	S	*	*			trans	-152.3	149.5	159.4	-83.7	0	0	0	0	110.4
715	A	27.1	Very low	27.9	Very low	105 Å²	105	135.9 Å²	135.9	87%	0.868	83%	0.832	S	S	*	*			trans	60.4	70.7	178.7	0	0	0	0	0	117.3
716	L	27	Very low	27.8	Very low	173 Å²	173	134.7 Å²	134.7	91%	0.906	83%	0.826	S	S	*	*			trans	-134.3	87.7	150.6	-124.4	173.3	0	0	0	110.7
717	R	28.1	Very low	27.7	Very low	241 Å²	241	134.9 Å²	134.9	91%	0.909	82%	0.822	S	S	*	*			trans	-147.3	69	174.1	-161.8	-157.6	-71.2	-158.9	1.4	113.3
718	K	27.7	Very low	27.7	Very low	201 Å²	201	131.1 Å²	131.1	87%	0.874	82%	0.818	S	S	*	*	S	Bend	trans	-154.4	150.4	141.6	-118	171.6	-177.1	180	0	111.2
719	A	26.2	Very low	27.5	Very low	104 Å²	104	135.5 Å²	135.5	86%	0.86	82%	0.821	S	S	*	*			trans	-64.2	147.6	-164.7	0	0	0	0	0	114.4
720	A	24.4	Very low	27.3	Very low	107 Å²	107	140.2 Å²	140.2	88%	0.884	82%	0.82	S	S	*	*			trans	-113.9	137.8	146.1	0	0	0	0	0	107.7
721	A	26.6	Very low	27.4	Very low	96 Å²	96	140 Å²	140	79%	0.793	81%	0.81	S	S	*	*			trans	-129.9	155.9	173.2	0	0	0	0	0	108.6
722	A	29	Very low	27.1	Very low	103 Å²	103	137 Å²	137	85%	0.851	81%	0.805	S	S	*	*			trans	63.5	109.5	178.9	0	0	0	0	0	116.9
723	S	25.9	Very low	27.1	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	81%	0.807	S	S	*	*			trans	-66.7	168.4	144.9	-29.7	0	0	0	0	109.1
724	P	36.8	Very low	26.9	Very low	115 Å²	115	136 Å²	136	75%	0.747	81%	0.807	S	S	*	*				-155.1	-175.7	54.2	39.8	-15.6	0	0	0	118.7
725	V	27	Very low	27	Very low	125 Å²	125	135.4 Å²	135.4	76%	0.758	80%	0.802	S	S	*	*			trans	69.6	122.9	160	-119.3	0	0	0	0	123.5
726	S	27.6	Very low	27	Very low	89 Å²	89	137.9 Å²	137.9	62%	0.622	80%	0.801	S	S	*	*			trans	64.6	121.4	135.9	58.2	0	0	0	0	125
727	N	25.5	Very low	27	Very low	145 Å²	145	136.9 Å²	136.9	78%	0.775	80%	0.796	S	S	*	*				80	123.1	126.9	-66.1	-0.7	0	0	0	123.8
728	L	25.8	Very low	26.9	Very low	152 Å²	152	134.6 Å²	134.6	80%	0.796	79%	0.793	S	S	*	*			trans	74	114.2	136.7	-66.7	169.4	0	0	0	122.4
729	Y	25.1	Very low	26.7	Very low	209 Å²	209	129.2 Å²	129.2	82%	0.82	79%	0.786	S	S	*	*				66	90.3	128.9	-114.3	-100.4	0	0	0	122.8
730	R	24	Very low	27.6	Very low	223 Å²	223	129.1 Å²	129.1	84%	0.842	78%	0.776	S	S	*	*			trans	69.4	178.1	135.5	-123.5	-170.1	-178.1	179.9	2.4	117.3
731	P	30.8	Very low	28.3	Very low	95 Å²	95	129.7 Å²	129.7	62%	0.617	77%	0.771	S	S	*	*				-126.8	165	-99.8	43.2	-29.3	0	0	0	118.5
732	T	24.2	Very low	28.3	Very low	126 Å²	126	135.9 Å²	135.9	77%	0.773	77%	0.774	S	S	*	*			trans	53.8	119.7	147.8	49.8	0	0	0	0	121.8
733	S	25.8	Very low	28.1	Very low	122 Å²	122	138.2 Å²	138.2	85%	0.853	77%	0.772	S	S	*	*				173.9	164.2	119.6	-80.1	0	0	0	0	115.3
734	A	24.7	Very low	28.2	Very low	92 Å²	92	137.5 Å²	137.5	76%	0.76	77%	0.767	S	S	*	*			trans	83.9	85.4	153.3	0	0	0	0	0	123.2
735	S	27.5	Very low	27.7	Very low	106 Å²	106	136.1 Å²	136.1	74%	0.741	77%	0.774	S	S	*	*				52.2	114.7	113.6	-51.4	0	0	0	0	125.2
736	N	27.8	Very low	27.8	Very low	158 Å²	158	133.8 Å²	133.8	85%	0.845	78%	0.775	S	S	*	*				53.4	139	124.3	-59.3	-10.4	0	0	0	124.3
737	L	25.9	Very low	27.8	Very low	151 Å²	151	137.1 Å²	137.1	79%	0.791	79%	0.785	S	S	*	*			trans	-158.4	148.9	140.1	-110.5	178.9	0	0	0	114.1
738	F	26.9	Very low	27.9	Very low	193 Å²	193	137 Å²	137	85%	0.846	79%	0.789	S	S	*	*			trans	73.7	143	170.9	-71.6	-73.6	0	0	0	122.6
739	A	24.3	Very low	28	Very low	88 Å²	88	132.5 Å²	132.5	73%	0.727	78%	0.78	S	S	*	*			trans	-168.7	-161.7	-170.1	0	0	0	0	0	107.9
740	P	44.3	Very low	28	Very low	102 Å²	102	133.7 Å²	133.7	66%	0.662	78%	0.784	S	S	*	*			cis	-108.8	-132.5	-11.6	43.4	-27.2	0	0	0	110.2
741	P	38.3	Very low	28	Very low	119 Å²	119	127.4 Å²	127.4	77%	0.773	77%	0.774	S	S	*	*			cis	-69.1	-179.3	-3.1	-20.5	36.6	0	0	0	115.3
742	R	27.3	Very low	27.8	Very low	226 Å²	226	127 Å²	127	85%	0.853	77%	0.774	S	S	*	*			cis	83.7	92	8.2	-69.8	-170.1	171.3	-155.4	0.1	120.7
743	N	25.6	Very low	27.8	Very low	153 Å²	153	128.5 Å²	128.5	82%	0.818	78%	0.777	S	S	*	*				-177	152.8	109.9	-106	15	0	0	0	111.5
744	S	28.1	Very low	27.7	Very low	99 Å²	99	127.6 Å²	127.6	69%	0.692	78%	0.777	S	S	*	*			cis	-173.5	126.3	-35.6	48.1	0	0	0	0	111.6
745	G	26.1	Very low	27.8	Very low	86 Å²	86	127.8 Å²	127.8	89%	0.887	78%	0.779	S	S	*	*			trans	85.4	143.5	171.1	0	0	0	0	0	115
746	G	28	Very low	27.9	Very low	75 Å²	75	132.7 Å²	132.7	77%	0.773	78%	0.781	S	S	*	*			cis	161.6	162.7	-2.9	0	0	0	0	0	110
747	L	28.1	Very low	27.7	Very low	160 Å²	160	132.5 Å²	132.5	84%	0.838	78%	0.775	S	S	*	*			cis	-166.8	159.6	-3.8	-138.4	160.1	0	0	0	108.8
748	V	28.2	Very low	27.7	Very low	141 Å²	141	130.1 Å²	130.1	86%	0.855	77%	0.771	S	S	*	*			trans	76.5	132.1	171.1	-163.3	0	0	0	0	116.1
749	G	26.6	Very low	27.8	Very low	59 Å²	59	126.2 Å²	126.2	61%	0.608	76%	0.763	S	S	*	*			cis	-178.7	166.6	-5.9	0	0	0	0	0	116.3
750	Y	25.7	Very low	28.1	Very low	233 Å²	233	129.7 Å²	129.7	91%	0.914	77%	0.765	S	S	*	*			trans	-25.4	166.2	167.6	-57.4	-87.8	0	0	0	120.4
751	S	23.8	Very low	27.6	Very low	91 Å²	91	130.1 Å²	130.1	64%	0.636	76%	0.761	S	S	*	*			cis	178.6	153.1	-22.6	-179.2	0	0	0	0	110.7
752	S	26.4	Very low	27.3	Very low	88 Å²	88	131 Å²	131	62%	0.615	76%	0.758	S	S	*	*			trans	44.2	123.5	145.7	61.5	0	0	0	0	123
753	N	23.8	Very low	27.4	Very low	156 Å²	156	125.6 Å²	125.6	83%	0.834	74%	0.742	S	S	*	*			trans	77.5	122.3	133.2	-62.9	-2.9	0	0	0	122.1
754	A	25	Very low	27.5	Very low	103 Å²	103	127.9 Å²	127.9	85%	0.851	74%	0.739	S	S	*	*			trans	61.7	109.6	135.9	0	0	0	0	0	120.9
755	A	26.9	Very low	27.4	Very low	96 Å²	96	127 Å²	127	79%	0.793	74%	0.738	S	S	*	*			trans	-163	144.9	133.3	0	0	0	0	0	113
756	R	28.9	Very low	27.5	Very low	210 Å²	210	130.2 Å²	130.2	79%	0.792	73%	0.734	S	S	*	*			trans	45.7	122.9	136.3	-68.7	-161.2	147	113.9	-1.2	123.6
757	E	23.9	Very low	27.5	Very low	154 Å²	154	132.3 Å²	132.3	72%	0.72	73%	0.728	S	S	*	*				40.8	148.4	99.9	-54.5	173.6	121	0	0	121.7
758	S	26	Very low	27.5	Very low	101 Å²	101	130.7 Å²	130.7	71%	0.706	72%	0.72	S	S	*	*			trans	75.6	111.2	166.3	-144	0	0	0	0	115.7
759	T	27.4	Very low	27.5	Very low	111 Å²	111	131 Å²	131	68%	0.681	72%	0.716	S	S	*	*			cis	77.7	140.4	33	-43.2	0	0	0	0	113.8
760	Q	32	Very low	27.5	Very low	161 Å²	161	135.9 Å²	135.9	75%	0.752	72%	0.723	S	S	*	*			trans	73.4	157.3	169.9	-85.3	144.2	-15.3	0	0	116.6
761	D	33.3	Very low	27.6	Very low	110 Å²	110	130.9 Å²	130.9	59%	0.588	71%	0.711	S	S	*	*			cis	-143.1	143.9	9.2	-141.7	-24.1	0	0	0	110.7	H763	D761-H763 IonicContact OD1-CD2 2.6Å
762	I	31.5	Very low	27.7	Very low	138 Å²	138	133.5 Å²	133.5	71%	0.708	72%	0.718	S	S	*	*				166.6	149.5	94.3	-99.2	147.1	0	0	0	105.3
763	H	30.4	Very low	27.7	Very low	113 Å²	113	134.6 Å²	134.6	52%	0.523	73%	0.726	S	S	.	*			cis	-168.5	165.2	-12.9	-92	170.5	0	0	0	104.6	D761	D761-H763 IonicContact OD1-CD2 2.6Å
764	R	28.1	Very low	29.1	Very low	200 Å²	200	132.3 Å²	132.3	76%	0.755	72%	0.72	S	S	*	*			cis	-158.2	157.2	-16.4	-97	171.1	-165.2	-138.5	-1.3	105
765	A	26.1	Very low	29.6	Very low	81 Å²	81	135.5 Å²	135.5	67%	0.669	72%	0.721	S	S	*	*				54.8	128	71	0	0	0	0	0	113.4
766	L	26.8	Very low	30.1	Very low	154 Å²	154	135.3 Å²	135.3	81%	0.806	72%	0.72	S	S	*	*			cis	-148.9	160.8	28	-73.8	171.9	0	0	0	115
767	N	29	Very low	30.2	Very low	119 Å²	119	136.2 Å²	136.2	64%	0.636	72%	0.723	S	S	*	*			trans	54.5	127	140.9	-67.8	45.2	0	0	0	124.9
768	D	27.9	Very low	30.6	Very low	125 Å²	125	133.9 Å²	133.9	67%	0.668	72%	0.724	S	S	*	*				58.9	130.7	120.9	-51	-29.5	0	0	0	124.9
769	L	27.3	Very low	31.3	Very low	148 Å²	148	135.4 Å²	135.4	78%	0.775	73%	0.729	S	S	*	*			trans	62.2	122	137.2	-67.5	167.7	0	0	0	122.1
770	E	26.4	Very low	32.9	Very low	161 Å²	161	134.9 Å²	134.9	75%	0.752	73%	0.728	S	S	*	*			trans	75.5	127	135.7	-75	-166.5	156.6	0	0	123.5
771	L	28.1	Very low	33	Very low	129 Å²	129	133.4 Å²	133.4	68%	0.675	73%	0.725	S	S	*	*			trans	81.2	131.7	135.1	-72.2	168.1	0	0	0	122.4
772	N	25.5	Very low	33.1	Very low	145 Å²	145	136.1 Å²	136.1	78%	0.775	73%	0.734	S	S	*	*			trans	87.7	127.1	148.4	-62.7	-29.7	0	0	0	121.9
773	S	28.3	Very low	33.3	Very low	111 Å²	111	137 Å²	137	78%	0.776	74%	0.735	S	S	*	*			trans	-85.8	-163.9	159.5	-45.2	0	0	0	0	109.2
774	P	52.2	Low	33.7	Very low	109 Å²	109	139.5 Å²	139.5	71%	0.708	74%	0.741	S	S	*	*			cis	-149.6	171.9	6.5	44.1	-23.4	0	0	0	120.5
775	L	36.3	Very low	34	Very low	170 Å²	170	140.1 Å²	140.1	89%	0.89	74%	0.744	S	S	*	*			trans	71	155.1	139.8	-103.7	74.8	0	0	0	126.3
776	A	36.1	Very low	34.4	Very low	92 Å²	92	143.3 Å²	143.3	76%	0.76	75%	0.748	S	S	*	*			trans	87.1	156.8	159	0	0	0	0	0	118.6
777	R	30.9	Very low	35.8	Very low	229 Å²	229	141.6 Å²	141.6	86%	0.864	75%	0.746	S	S	*	*			cis	-167	156.9	8.4	-151.5	-177.7	-175.8	166.8	-0.2	115.2
778	S	33	Very low	37.6	Very low	104 Å²	104	141.1 Å²	141.1	73%	0.727	75%	0.749	S	S	*	*			trans	72.5	169.7	144.5	41.7	0	0	0	0	125.2
779	T	40.2	Very low	39	Very low	133 Å²	133	140.1 Å²	140.1	82%	0.816	75%	0.75	S	S	*	*			trans	-152.2	-161.4	-170.1	54.1	0	0	0	0	109.7
780	P	61.3	Low	39	Very low	101 Å²	101	144.1 Å²	144.1	66%	0.656	75%	0.754	S	S	*	*			cis	-147.8	-164.6	-0.9	47.3	-26	0	0	0	118.3
781	N	35	Very low	39.2	Very low	129 Å²	129	142.7 Å²	142.7	69%	0.69	76%	0.756	S	S	*	*			trans	65.6	164.3	152.3	-76.6	38.2	0	0	0	122.4
782	E	35.8	Very low	40.3	Very low	167 Å²	167	141.4 Å²	141.4	78%	0.78	76%	0.756	S	S	*	*			cis	-176.7	174.2	-21.8	179.6	161.3	-122.9	0	0	114
783	E	33.9	Very low	40.4	Very low	157 Å²	157	140 Å²	140	73%	0.734	75%	0.753	S	S	*	*			trans	106.8	137.8	150.5	-127.4	-171.7	-168.3	0	0	125.4
784	Y	39.9	Very low	40.3	Very low	166 Å²	166	140.6 Å²	140.6	65%	0.651	75%	0.751	S	S	*	*			trans	90.5	116.1	147.9	-96.6	-52.2	0	0	0	129.2
785	R	33.9	Very low	39.1	Very low	213 Å²	213	141.2 Å²	141.2	80%	0.804	75%	0.753	S	S	*	*			trans	94.9	162.8	134.5	-112.9	161.4	-157.6	-165.7	6.2	122.8
786	I	34.4	Very low	38.6	Very low	148 Å²	148	138 Å²	138	76%	0.759	75%	0.745	S	S	*	*			trans	-159.1	171.6	-143.9	51.6	163.7	0	0	0	108.2
787	P	55.7	Low	38.2	Very low	118 Å²	118	139.4 Å²	139.4	77%	0.766	74%	0.744	S	S	*	*			cis	-138.4	-95.4	40.4	25	4.7	0	0	0	123.4
788	P	68.1	Low	38	Very low	108 Å²	108	133.6 Å²	133.6	70%	0.701	74%	0.739	S	S	*	*			trans	-123.9	-158.1	-135.7	45.8	-26.4	0	0	0	113.5
789	P	56.8	Low	37.8	Very low	105 Å²	105	133.6 Å²	133.6	68%	0.682	74%	0.739	S	S	*	*			cis	-140.3	-166.1	1.2	43.8	-22.9	0	0	0	117.4
790	R	26.6	Very low	37.3	Very low	231 Å²	231	133.5 Å²	133.5	87%	0.872	73%	0.733	S	S	*	*			trans	61.7	95	172.4	-60.3	-170.8	-172.4	-115.3	0.5	116.8
791	V	31	Very low	35.7	Very low	131 Å²	131	139.3 Å²	139.3	79%	0.794	74%	0.744	S	S	*	*			cis	75.7	143.3	18	-153.5	0	0	0	0	110.1
792	P	51.7	Low	35.8	Very low	102 Å²	102	137.4 Å²	137.4	66%	0.662	75%	0.746	S	S	*	*				-145.5	-151.2	-77.9	40	-16.1	0	0	0	115
793	T	27.1	Very low	36	Very low	117 Å²	117	134.7 Å²	134.7	72%	0.718	74%	0.743	S	S	*	*			trans	82.8	129.7	142.2	43.4	0	0	0	0	126
794	V	27	Very low	35.6	Very low	122 Å²	122	134.2 Å²	134.2	74%	0.739	74%	0.744	S	S	*	*				82.3	116.4	127.3	168.7	0	0	0	0	123.3
795	T	25.8	Very low	34.9	Very low	122 Å²	122	134.1 Å²	134.1	75%	0.748	75%	0.749	S	S	*	*				-175.7	117.4	117	17.2	0	0	0	0	109.9
796	S	26.6	Very low	34.6	Very low	103 Å²	103	128.5 Å²	128.5	72%	0.72	74%	0.743	S	S	*	*				63.2	135.5	97.4	74	0	0	0	0	115.2
797	T	26.9	Very low	34.3	Very low	121 Å²	121	129.4 Å²	129.4	74%	0.742	75%	0.748	S	S	*	*			cis	-142.7	139.1	27.8	33.8	0	0	0	0	110.9
798	S	27.5	Very low	33	Very low	107 Å²	107	134.7 Å²	134.7	75%	0.748	75%	0.752	S	S	*	*				57.4	134.3	74.9	80.9	0	0	0	0	115.4
799	S	28.1	Very low	31.9	Very low	105 Å²	105	135.1 Å²	135.1	73%	0.734	76%	0.755	S	S	*	*			cis	-163.3	172	-0.5	-170	0	0	0	0	111.5
800	N	29.7	Very low	30.5	Very low	131 Å²	131	134.3 Å²	134.3	70%	0.701	76%	0.757	S	S	*	*			trans	-54.8	147.3	166.7	-45.7	-76.1	0	0	0	111.8
801	Y	27.8	Very low	30.7	Very low	223 Å²	223	128.4 Å²	128.4	88%	0.875	75%	0.751	S	S	*	*				-173.6	168.6	77.8	-106	-84.1	0	0	0	112
802	A	37.2	Very low	30.6	Very low	88 Å²	88	127.4 Å²	127.4	73%	0.727	74%	0.739	S	S	*	*			trans	-76.8	161.3	172.1	0	0	0	0	0	112.7
803	P	41.1	Very low	29.8	Very low	111 Å²	111	132.3 Å²	132.3	72%	0.721	75%	0.746	S	S	*	*				-156.5	168.9	93.8	42.4	-24.2	0	0	0	118.3
804	L	24.8	Very low	29.8	Very low	146 Å²	146	129.7 Å²	129.7	76%	0.764	74%	0.742	S	S	*	*			trans	42	142.6	136.6	-64.2	170.1	0	0	0	124.9
805	H	26.3	Very low	29.8	Very low	164 Å²	164	132.2 Å²	132.2	76%	0.759	74%	0.74	S	S	*	*			trans	57.5	124.4	152.2	-68.5	-60.2	0	0	0	119.7
806	S	26.5	Very low	29.9	Very low	95 Å²	95	134.2 Å²	134.2	66%	0.664	74%	0.741	S	S	*	*				81.7	118.8	51.9	170	0	0	0	0	114.9
807	I	28.1	Very low	29.9	Very low	168 Å²	168	134 Å²	134	86%	0.862	74%	0.739	S	S	*	*			trans	-165.5	154.7	139.4	-102.7	151.4	0	0	0	112.1
808	R	27.7	Very low	30.8	Very low	229 Å²	229	133.4 Å²	133.4	86%	0.864	74%	0.737	S	S	*	*			trans	-93.4	-157.2	-175.5	-65.4	172.6	157.5	176.8	-6.8	110.4
809	P	46.7	Very low	30.9	Very low	117 Å²	117	133.1 Å²	133.1	76%	0.76	74%	0.735	S	S	*	*			cis	-146.8	-166.8	0.6	45.3	-23.9	0	0	0	118.5
810	A	25.6	Very low	30.9	Very low	88 Å²	88	133.1 Å²	133.1	73%	0.727	74%	0.735	S	S	*	*			trans	75.3	139.5	161.5	0	0	0	0	0	117.8
811	S	31.2	Very low	30.9	Very low	107 Å²	107	132 Å²	132	75%	0.748	74%	0.738	S	S	*	*			cis	76.2	139	33.7	-157.9	0	0	0	0	112.7
812	M	29.7	Very low	30.9	Very low	110 Å²	110	127.2 Å²	127.2	54%	0.542	73%	0.732	S	S	.	*			cis	-144.8	165.5	16.4	-148.6	161.9	176.1	0	0	107.6	Y815	M812-Y815 HydrophobicContact CE-CE2 3.85Å
813	Y	33.6	Very low	30.5	Very low	204 Å²	204	129 Å²	129	80%	0.8	73%	0.734	S	S	*	*			cis	-150.8	177.6	33.1	-79	-92.8	0	0	0	110	Y815	Y813-Y815 HydrophobicContact CD1-CE2 4.42Å
814	G	27.4	Very low	29.7	Very low	62 Å²	62	130.1 Å²	130.1	64%	0.639	74%	0.739	S	S	*	*			cis	-174.9	141.2	-8.9	0	0	0	0	0	114.9
815	Y	28.5	Very low	30.1	Very low	176 Å²	176	130.2 Å²	130.2	69%	0.69	74%	0.738	S	S	*	*			trans	56.3	82.2	151.2	-63.6	-76.6	0	0	0	124	M812 Y813	M812-Y815 HydrophobicContact CE-CE2 3.85Å; Y813-Y815 HydrophobicContact CD1-CE2 4.42Å
816	Q	27	Very low	31	Very low	164 Å²	164	127.9 Å²	127.9	77%	0.766	74%	0.737	S	S	*	*				43.8	140.2	102	-82.6	-173.2	-19.2	0	0	124.5
817	S	27.2	Very low	31.2	Very low	99 Å²	99	127.3 Å²	127.3	69%	0.692	74%	0.739	S	S	*	*			trans	83.6	158.8	130.3	-74.8	0	0	0	0	121.5
818	P	45.3	Very low	32.5	Very low	108 Å²	108	124.4 Å²	124.4	70%	0.701	73%	0.731	S	S	*	*			cis	-143.1	170.9	-31.1	39.7	-22.2	0	0	0	116.7
819	S	29.2	Very low	32.9	Very low	101 Å²	101	123.8 Å²	123.8	71%	0.706	73%	0.734	S	S	*	*			trans	9.9	135.3	151.3	60.5	0	0	0	0	123.3
820	S	28.6	Very low	32	Very low	104 Å²	104	121.5 Å²	121.5	73%	0.727	73%	0.732	S	S	*	*				161.7	132.3	112.1	-71.5	0	0	0	0	115.8
821	S	28.7	Very low	32.1	Very low	109 Å²	109	124.1 Å²	124.1	76%	0.762	74%	0.739	S	S	*	*			trans	45.2	150.1	134.5	-43.8	0	0	0	0	125.4
822	T	28	Very low	32	Very low	122 Å²	122	123.4 Å²	123.4	75%	0.748	74%	0.739	S	S	*	*			trans	91.6	92.9	142.7	-51	0	0	0	0	121.9
823	T	29.2	Very low	32	Very low	126 Å²	126	123.1 Å²	123.1	77%	0.773	75%	0.748	S	S	*	*				62.7	156.2	118.6	-30.5	0	0	0	0	124.1
824	V	25.1	Very low	31.8	Very low	134 Å²	134	118.1 Å²	118.1	81%	0.812	74%	0.743	S	S	*	*			trans	91.9	143.6	156.2	-144.1	0	0	0	0	119.8
825	I	32.7	Very low	31.9	Very low	148 Å²	148	119.8 Å²	119.8	76%	0.759	75%	0.745	S	S	*	*			trans	-95.6	162.7	174.7	-20.4	175.2	0	0	0	110.6
826	P	45.9	Very low	31.9	Very low	114 Å²	114	118.4 Å²	118.4	74%	0.74	75%	0.749	S	S	*	*				-143.5	167.3	99	36.6	-19.4	0	0	0	112.5
827	A	30.2	Very low	31.9	Very low	84 Å²	84	117.3 Å²	117.3	69%	0.694	75%	0.749	S	S	*	*			cis	72.4	159.3	32.9	0	0	0	0	0	114.1
828	P	55.8	Low	31.9	Very low	106 Å²	106	118.8 Å²	118.8	69%	0.688	75%	0.754	S	S	*	*			cis	-144.6	163	0.5	41.7	-22	0	0	0	119.6
829	K	34.3	Very low	31	Very low	217 Å²	217	119.1 Å²	119.1	94%	0.943	76%	0.758	S	S	*	*			trans	58.4	141.8	134.4	-67.2	170.4	-175.6	177.6	0	126.3
830	G	28.7	Very low	31.9	Very low	69 Å²	69	119.3 Å²	119.3	71%	0.711	76%	0.758	S	S	*	*			trans	156.8	146.8	143.6	0	0	0	0	0	113.9
831	V	27.5	Very low	32	Very low	143 Å²	143	125.4 Å²	125.4	87%	0.867	77%	0.765	S	S	*	*			cis	-159.3	147.8	-6.9	-174.1	0	0	0	0	110.1
832	A	29.1	Very low	32.2	Very low	92 Å²	92	125.1 Å²	125.1	76%	0.76	76%	0.758	S	S	*	*			trans	62.4	164.2	158	0	0	0	0	0	121.6
833	S	30.4	Very low	32.3	Very low	104 Å²	104	125.2 Å²	125.2	73%	0.727	75%	0.754	S	S	*	*			cis	-168.3	164.1	-32.6	60.9	0	0	0	0	114.2
834	S	28.9	Very low	32.3	Very low	99 Å²	99	125.6 Å²	125.6	69%	0.692	76%	0.756	S	S	*	*			trans	72.6	126.1	144.7	55.4	0	0	0	0	125.4
835	S	29.3	Very low	32.3	Very low	97 Å²	97	124.2 Å²	124.2	68%	0.678	75%	0.748	S	S	*	*			trans	81.3	110.5	132.3	63.2	0	0	0	0	125.3
836	N	28.7	Very low	32.2	Very low	146 Å²	146	125.5 Å²	125.5	78%	0.781	76%	0.755	S	S	*	*				73.8	131.1	124.5	-64.8	4.3	0	0	0	125.2
837	N	27.6	Very low	31.1	Very low	141 Å²	141	124 Å²	124	75%	0.754	76%	0.76	S	S	*	*			trans	88.8	131.4	138.8	-77.9	-3	0	0	0	123.9
838	T	26.7	Very low	31	Very low	131 Å²	131	123.7 Å²	123.7	80%	0.804	77%	0.766	S	S	*	*			trans	71	114.1	148.6	43.7	0	0	0	0	122.3
839	S	26	Very low	29.7	Very low	114 Å²	114	123 Å²	123	80%	0.797	77%	0.768	S	S	*	*			trans	-35.3	174.4	148.9	-36.5	0	0	0	0	116.1
840	P	48.6	Very low	29.4	Very low	106 Å²	106	120.2 Å²	120.2	69%	0.688	76%	0.763	S	S	*	*			cis	-151	162.8	20	44.8	-24.5	0	0	0	120.8
841	R	31	Very low	29.2	Very low	232 Å²	232	122.1 Å²	122.1	88%	0.875	77%	0.765	S	S	*	*			trans	60.9	158.3	131.4	-74	-170.8	153.1	174.1	-6.1	123.9
842	V	33.3	Very low	29.2	Very low	102 Å²	102	120.2 Å²	120.2	62%	0.618	76%	0.758	S	S	*	*			cis	-177.1	161.3	-27.8	78	0	0	0	0	114
843	N	30.2	Very low	29.3	Very low	125 Å²	125	120.9 Å²	120.9	67%	0.668	76%	0.758	S	S	*	*			trans	67.7	164.7	156.1	-71.9	-6.4	0	0	0	119.1	T845	N843-T845 PolarHBondContact OD1-OG1 3.16Å
844	V	27.6	Very low	29.3	Very low	134 Å²	134	126.8 Å²	126.8	81%	0.812	76%	0.764	S	S	*	*			cis	-127.6	126.3	11.2	-178.1	0	0	0	0	109
845	T	26.8	Very low	29.3	Very low	105 Å²	105	126.5 Å²	126.5	64%	0.644	76%	0.762	S	S	*	*				90.1	129	56	-43.5	0	0	0	0	114.9	N843	N843-T845 PolarHBondContact OD1-OG1 3.16Å
846	L	29	Very low	29.4	Very low	175 Å²	175	129.2 Å²	129.2	92%	0.916	76%	0.764	S	S	*	*			trans	-75.9	167.4	174.2	-82.3	78.5	0	0	0	113.2
847	G	24.4	Very low	29.3	Very low	81 Å²	81	128.6 Å²	128.6	84%	0.835	76%	0.76	S	S	*	*			trans	-161.5	82.9	170.4	0	0	0	0	0	118
848	G	26.3	Very low	29.3	Very low	79 Å²	79	126.3 Å²	126.3	81%	0.814	76%	0.755	S	S	*	*			trans	84	160.1	155.8	0	0	0	0	0	118.4
849	A	28.7	Very low	29.3	Very low	90 Å²	90	127.9 Å²	127.9	74%	0.744	76%	0.758	S	S	*	*			cis	-163.9	175.1	-10.2	0	0	0	0	0	112.2
850	L	28.3	Very low	29.3	Very low	159 Å²	159	127.9 Å²	127.9	83%	0.832	76%	0.758	S	S	*	*			trans	77.4	126	172.5	-46.7	179.8	0	0	0	115.3
851	S	25.9	Very low	28.3	Very low	109 Å²	109	132.1 Å²	132.1	76%	0.762	77%	0.769	S	S	*	*			cis	91.2	130.7	35.8	-64.2	0	0	0	0	113.5
852	S	26.6	Very low	28.3	Very low	103 Å²	103	129.8 Å²	129.8	72%	0.72	77%	0.768	S	S	*	*			cis	-171.7	149.2	-4.3	47.3	0	0	0	0	114.6
853	S	30.1	Very low	28.8	Very low	107 Å²	107	130.4 Å²	130.4	75%	0.748	77%	0.774	S	S	*	*			trans	71.4	114.2	143.2	-62.5	0	0	0	0	124.5
854	R	30.8	Very low	28.6	Very low	227 Å²	227	129.1 Å²	129.1	86%	0.857	78%	0.781	S	S	*	*			trans	72.1	155.8	132.3	-79.9	179.6	167.5	169.8	-2.9	119.6
855	S	29.7	Very low	28.5	Very low	94 Å²	94	130.5 Å²	130.5	66%	0.657	78%	0.782	S	S	*	*			cis	-151.8	142.5	14.3	51.1	0	0	0	0	115.6
856	H	30.8	Very low	28.5	Very low	153 Å²	153	131.3 Å²	131.3	71%	0.708	79%	0.786	S	S	*	*			trans	53	150.7	138.9	-70.8	-96.8	0	0	0	121.3
857	N	27.4	Very low	28.5	Very low	133 Å²	133	130.9 Å²	130.9	71%	0.711	78%	0.783	S	S	*	*			cis	-155.7	165.5	24.7	-141.5	8.9	0	0	0	114.3
858	S	26.4	Very low	28.7	Very low	93 Å²	93	138.1 Å²	138.1	65%	0.65	79%	0.785	S	S	*	*			trans	58.6	109.9	166.6	38.9	0	0	0	0	118.6
859	L	27.2	Very low	30.2	Very low	164 Å²	164	139.9 Å²	139.9	86%	0.859	78%	0.783	S	S	*	*				78	127.4	81.9	-74.4	162.5	0	0	0	113.2
860	S	26.2	Very low	30	Very low	114 Å²	114	142 Å²	142	80%	0.797	79%	0.786	S	S	*	*			cis	-144.2	-175.5	15.1	-69.1	0	0	0	0	113.2
861	Q	26.6	Very low	30	Very low	195 Å²	195	141.7 Å²	141.7	91%	0.911	79%	0.785	S	S	*	*			trans	-96.5	148.4	-163.2	-61	173	-73.8	0	0	117.2
862	E	31.3	Very low	30.3	Very low	183 Å²	183	145 Å²	145	86%	0.855	79%	0.793	S	S	*	*			trans	-83.2	179.9	152.5	-91.2	-163.8	138.3	0	0	111.4
863	P	44.2	Very low	30.3	Very low	116 Å²	116	147.4 Å²	147.4	75%	0.753	80%	0.798	S	S	*	*			cis	-132.1	179.2	2.7	41.9	-27.2	0	0	0	115
864	A	25.2	Very low	30.3	Very low	98 Å²	98	150.3 Å²	150.3	81%	0.81	80%	0.802	S	S	*	*			trans	-176.9	151.3	136.6	0	0	0	0	0	114.8
865	I	27.5	Very low	30.5	Very low	162 Å²	162	144 Å²	144	83%	0.831	79%	0.79	S	S	*	*			trans	-92.5	147.6	162.8	-26.5	179.4	0	0	0	106.1
866	V	26.7	Very low	30.3	Very low	122 Å²	122	148.7 Å²	148.7	74%	0.739	80%	0.799	S	S	*	*				-178.3	150.9	64.8	175	0	0	0	0	108.4
867	I	27.4	Very low	30	Very low	166 Å²	166	145.5 Å²	145.5	85%	0.851	80%	0.799	S	S	*	*			trans	177.2	157	138.2	-93.2	156.2	0	0	0	111.9
868	R	29.9	Very low	30	Very low	233 Å²	233	145.2 Å²	145.2	88%	0.879	80%	0.802	S	S	*	*			trans	-131.9	168.4	172.7	-72.2	-175.8	178.1	-171.6	0.5	108.6
869	P	56.3	Low	30.8	Very low	117 Å²	117	146.3 Å²	146.3	76%	0.76	81%	0.807	S	S	*	*			cis	-125.5	-156.9	-27.3	38.4	-20.4	0	0	0	110.8
870	V	26.2	Very low	31.1	Very low	135 Å²	135	144.2 Å²	144.2	82%	0.818	80%	0.803	S	S	*	*			trans	139.3	135.6	147.8	167.7	0	0	0	0	112.4
871	D	28.3	Very low	31.1	Very low	152 Å²	152	143.7 Å²	143.7	81%	0.813	81%	0.806	S	S	*	*			trans	-83.8	154.9	-177	-57.8	-85.1	0	0	0	115.2
872	L	31.9	Very low	31.3	Very low	177 Å²	177	139.7 Å²	139.7	93%	0.927	80%	0.8	S	S	*	*			trans	-151.4	133.5	154.4	-106.7	169.4	0	0	0	111.2
873	N	26.3	Very low	31.1	Very low	154 Å²	154	137.4 Å²	137.4	82%	0.824	79%	0.792	S	S	*	*			trans	-70.4	160.1	170.9	-82.7	-69.2	0	0	0	110.7
874	M	29.6	Very low	30.2	Very low	168 Å²	168	143.7 Å²	143.7	83%	0.828	80%	0.8	S	S	*	*				177.1	-176.9	57	-124.5	-151.9	-178.7	0	0	107.5
875	P	36.5	Very low	30.2	Very low	94 Å²	94	142.3 Å²	142.3	61%	0.61	80%	0.796	S	S	*	*			cis	-131.8	176.1	-46.8	38.3	-21.1	0	0	0	114.3
876	K	24.8	Very low	30.2	Very low	193 Å²	193	139.8 Å²	139.8	84%	0.839	80%	0.799	S	S	*	*			trans	40	128	142.1	-69.7	174.8	-179.4	179.1	0	120.8
877	A	24.4	Very low	30.2	Very low	86 Å²	86	140.4 Å²	140.4	71%	0.711	80%	0.803	S	S	*	*				61	146.7	81.4	0	0	0	0	0	114.4
878	T	26.7	Very low	31	Very low	128 Å²	128	138 Å²	138	79%	0.785	80%	0.798	S	S	*	*			cis	-164.6	170.9	27.7	-7.2	0	0	0	0	108.8
879	P	43.3	Very low	31	Very low	116 Å²	116	132.4 Å²	132.4	75%	0.753	79%	0.79	S	S	*	*			trans	-85.1	146	175.8	34.3	-33.1	0	0	0	113.5
880	P	33.8	Very low	29.8	Very low	119 Å²	119	130.8 Å²	130.8	77%	0.773	79%	0.787	S	S	*	*			trans	-84	131.2	155.4	33.1	-28.8	0	0	0	109.4
881	A	26.3	Very low	29.9	Very low	103 Å²	103	132.1 Å²	132.1	85%	0.851	79%	0.787	S	S	*	*				88.6	149.1	56.5	0	0	0	0	0	112.9
882	S	31	Very low	29.9	Very low	112 Å²	112	129.6 Å²	129.6	78%	0.783	78%	0.778	S	S	*	*			trans	-113.4	-177.5	-162.5	-176.3	0	0	0	0	112.6
883	I	27.3	Very low	29.8	Very low	135 Å²	135	130 Å²	130	69%	0.692	78%	0.775	S	S	*	*			trans	95	122.9	158.9	-55.3	174.2	0	0	0	118.1
884	R	25.9	Very low	30	Very low	247 Å²	247	126.2 Å²	126.2	93%	0.932	77%	0.765	S	S	*	*			trans	61.7	137.5	162.2	-68.7	163.6	-174.4	-177.1	-0.2	117.3
885	G	25.4	Very low	30	Very low	69 Å²	69	125.8 Å²	125.8	71%	0.711	77%	0.765	S	S	*	*			cis	153.6	-174.5	18.1	0	0	0	0	0	109.9
886	A	25.5	Very low	29.8	Very low	109 Å²	109	128.7 Å²	128.7	90%	0.901	77%	0.771	S	S	*	*			trans	84	152.2	173.9	0	0	0	0	0	120.2
887	V	26.8	Very low	30	Very low	136 Å²	136	126.4 Å²	126.4	82%	0.824	77%	0.767	S	S	*	*			trans	-154.5	162.5	-167.9	166.4	0	0	0	0	105.5
888	P	45.2	Very low	30.3	Very low	114 Å²	114	130 Å²	130	74%	0.74	77%	0.769	S	S	*	*			cis	-109.2	-139.8	3.9	19.3	7.5	0	0	0	112.4
889	T	30.5	Very low	31.2	Very low	117 Å²	117	128.9 Å²	128.9	72%	0.718	76%	0.764	S	S	*	*			cis	-162	122.5	16.5	-46.1	0	0	0	0	108.4
890	A	30.5	Very low	30.7	Very low	83 Å²	83	131 Å²	131	69%	0.686	77%	0.769	S	S	*	*				78.8	142.5	77.5	0	0	0	0	0	117.8
891	I	27.5	Very low	30.5	Very low	162 Å²	162	128.4 Å²	128.4	83%	0.831	76%	0.764	S	S	*	*			trans	78.2	150	162.6	-65	163.7	0	0	0	117.7
892	T	28.8	Very low	30.6	Very low	100 Å²	100	127.6 Å²	127.6	61%	0.613	77%	0.766	S	S	*	*			cis	177.4	146.2	-47.6	-91.3	0	0	0	0	110.9
893	Q	30.3	Very low	30.4	Very low	185 Å²	185	125.7 Å²	125.7	86%	0.864	76%	0.764	S	S	*	*			trans	67.7	161	165.4	-76.9	160.8	16.2	0	0	120
894	A	30.1	Very low	30.5	Very low	75 Å²	75	123.9 Å²	123.9	62%	0.62	77%	0.769	S	S	*	*			cis	-175.7	169.2	-30.5	0	0	0	0	0	114.2
895	L	30.4	Very low	30.6	Very low	158 Å²	158	118.6 Å²	118.6	83%	0.827	76%	0.764	S	S	*	*			trans	69.3	155	160.8	-62.3	156.3	0	0	0	116.6
896	Q	31.5	Very low	30.6	Very low	156 Å²	156	123.5 Å²	123.5	73%	0.729	77%	0.773	S	S	*	*			cis	-146.2	-161.8	2.6	-131.6	168.3	13.2	0	0	108.5
897	L	29.1	Very low	30.7	Very low	145 Å²	145	129.5 Å²	129.5	76%	0.759	77%	0.772	S	S	*	*			cis	-153.3	-155.5	6.6	-136.1	-178.1	0	0	0	110.4
898	Q	30.9	Very low	30.7	Very low	161 Å²	161	132.4 Å²	132.4	75%	0.752	78%	0.777	S	S	*	*			trans	-160.4	-169	179	-118.6	-162.9	42.5	0	0	109.7
899	P	45	Very low	29.8	Very low	104 Å²	104	133.2 Å²	133.2	68%	0.675	78%	0.779	S	S	*	*			cis	-114.2	-141.2	6	28.1	-2.5	0	0	0	111.1
900	N	32.2	Very low	29.7	Very low	160 Å²	160	138.8 Å²	138.8	86%	0.856	79%	0.787	S	S	*	*			cis	-162.2	-171.9	4.2	-158	-9.1	0	0	0	110.3
901	G	31.1	Very low	29.6	Very low	66 Å²	66	140.7 Å²	140.7	68%	0.68	79%	0.792	S	S	*	*			trans	149.2	-21.4	142	0	0	0	0	0	123.2
902	G	27.8	Very low	29.7	Very low	86 Å²	86	137.5 Å²	137.5	89%	0.887	79%	0.79	S	S	*	*			trans	74.3	162.2	-178.7	0	0	0	0	0	116.3
903	G	27.7	Very low	29.8	Very low	72 Å²	72	137.1 Å²	137.1	74%	0.742	79%	0.792	S	S	*	*			cis	-174.1	159.9	-6.1	0	0	0	0	0	112.3
904	A	29.3	Very low	29.9	Very low	97 Å²	97	130.6 Å²	130.6	80%	0.802	77%	0.774	S	S	*	*			trans	63.3	106.4	-175.8	0	0	0	0	0	116.1
905	V	27	Very low	30	Very low	135 Å²	135	135 Å²	135	82%	0.818	79%	0.786	S	S	*	*				71.7	121.4	75.2	173.1	0	0	0	0	111.9
906	L	26.5	Very low	30.1	Very low	172 Å²	172	134 Å²	134	90%	0.901	77%	0.771	S	S	*	*			cis	-105.9	146.3	8.9	-75.7	159.4	0	0	0	113.4
907	R	26.9	Very low	30.5	Very low	236 Å²	236	133 Å²	133	89%	0.891	77%	0.767	S	S	*	*			trans	-106.7	126.1	168.6	-129.1	-179.1	-171.9	175.2	2.7	109.2	V909	R907-V909 PolarHBondContact O-N 3.08Å
908	Q	27	Very low	31	Very low	197 Å²	197	136.8 Å²	136.8	92%	0.921	77%	0.771	S	S	*	*			trans	-64.9	115.7	165.9	-76.1	-178.6	-18.9	0	0	109.1
909	V	26.6	Very low	31.4	Very low	130 Å²	130	133.9 Å²	133.9	79%	0.788	76%	0.76	S	S	*	*			trans	-81.5	116.1	171.4	177	0	0	0	0	108	R907 P911	R907-V909 PolarHBondContact O-N 3.08Å; V909-P911 WeakPolarHBondContact O-CD 3.28Å
910	R	28.6	Very low	31.4	Very low	235 Å²	235	135.3 Å²	135.3	89%	0.887	76%	0.758	S	S	*	*			trans	-72.1	127.2	165.6	-75.1	179.7	173.6	168	-3.7	109.3	A912	R910-A912 PolarHBondContact O-N 3.48Å
911	P	28.1	Very low	31.8	Very low	122 Å²	122	131 Å²	131	79%	0.792	74%	0.735	S	S	*	*			trans	-78.5	115.9	159.2	-8.1	26.5	0	0	0	109.6	V909	V909-P911 WeakPolarHBondContact O-CD 3.28Å
912	A	29.1	Very low	32.4	Very low	95 Å²	95	130.1 Å²	130.1	79%	0.785	72%	0.721	S	S	*	*				-82.5	159.6	123.8	0	0	0	0	0	106.5	R910	R910-A912 PolarHBondContact O-N 3.48Å
913	S	31.4	Very low	33.2	Very low	93 Å²	93	129 Å²	129	65%	0.65	70%	0.695	S	S	*	*			cis	-137.1	-160.7	9.3	27.8	0	0	0	0	109.6	E917	S913-E917 WeakPolarHBondContact CB-OE2 3.47Å; S913-E917 PolarHBondContact OG-OE2 3.43Å
914	G	32.3	Very low	34.1	Very low	48 Å²	48	127.1 Å²	127.1	50%	0.495	67%	0.668	S	S	.	*			trans	173.1	-45.6	169.1	0	0	0	0	0	117.8	R916 E917	G914-R916 VanDerWaalsContact C-N 3.27Å; G914-R916 PolarHBondContact O-N 3.17Å; G914-E917 PolarHBondContact O-N 3.45Å
915	L	32.3	Very low	34.8	Very low	167 Å²	167	129 Å²	129	87%	0.874	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-4.3	-172.6	-126.5	169.3	0	0	0	114.5
916	R	33	Very low	35.6	Very low	137 Å²	137	127 Å²	127	52%	0.517	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.3	-10.9	176.5	-171	172.7	176.5	120.3	8.3	113.1	G914 R918 D921	G914-R916 VanDerWaalsContact C-N 3.27Å; G914-R916 PolarHBondContact O-N 3.17Å; R916-R918 PolarHBondContact O-N 2.69Å; R916-D921 IonicContact CZ-OD1 2.67Å; R916-D921 IonicContact NE-OD1 2.68Å; R916-D921 PolarHBondContact NE-OD1 3.27Å; R916-D921 IonicContact NE-OD2 3.6Å; R916-D921 IonicContact NH2-OD1 3.67Å; R916-D921 PolarHBondContact NH2-OD1 2.94Å
917	E	38.1	Very low	36.5	Very low	134 Å²	134	122.4 Å²	122.4	63%	0.626	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	19.1	-158.3	-145.4	163.3	170.9	0	0	114	S913 G914	S913-E917 WeakPolarHBondContact CB-OE2 3.47Å; S913-E917 PolarHBondContact OG-OE2 3.43Å; G914-E917 PolarHBondContact O-N 3.45Å
918	R	40.1	Very low	37.4	Very low	225 Å²	225	117.4 Å²	117.4	85%	0.849	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.7	1.6	172.8	-76	-169.4	173.6	-169.1	-0.8	114.4	R916	R916-R918 PolarHBondContact O-N 2.69Å
919	L	39.8	Very low	38.2	Very low	100 Å²	100	115.1 Å²	115.1	52%	0.524	59%	0.589	S	S	.	*	S	Bend	trans	-112.1	145.7	153.1	-68.9	174.2	0	0	0	105.7	V924	L919-V924 HydrophobicContact CB-CG2 4.12Å; L919-V924 HydrophobicContact CD1-CG2 4.5Å
920	Q	44.1	Very low	39.3	Very low	135 Å²	135	112 Å²	112	63%	0.631	57%	0.571	S	S	*	*			trans	-70.4	142.8	177	-52.9	-172.3	14	0	0	108.1	A922 D923 V924	Q920-A922 HydrophobicContact CB-CB 4.36Å; Q920-A922 PolarHBondContact O-N 2.95Å; Q920-D923 WeakPolarHBondContact CA-OD2 3.43Å; Q920-D923 VanDerWaalsContact CB-OD2 3.26Å; Q920-D923 WeakPolarHBondContact CB-OD2 3.39Å; Q920-D923 PolarHBondContact N-OD2 3.3Å; Q920-D923 WeakPolarHBondContact O-CB 3.44Å; Q920-D923 PolarHBondContact O-N 3.19Å; Q920-V924 PolarHBondContact O-N 3.48Å
921	D	41.7	Very low	40	Very low	70 Å²	70	107.9 Å²	107.9	37%	0.374	57%	0.566	S	S	.	*	H	α-helix	trans	-64.6	-5.2	173.7	-111.3	-33	0	0	0	112	R916 R925	R916-D921 IonicContact CZ-OD1 2.67Å; R916-D921 IonicContact NE-OD1 2.68Å; R916-D921 PolarHBondContact NE-OD1 3.27Å; R916-D921 IonicContact NE-OD2 3.6Å; R916-D921 IonicContact NH2-OD1 3.67Å; R916-D921 PolarHBondContact NH2-OD1 2.94Å; D921-R925 WeakPolarHBondContact O-CB 3.41Å; D921-R925 PolarHBondContact O-NE 3.37Å; D921-R925 PolarHBondContact O-NH2 3.24Å
922	A	43.1	Very low	41.2	Very low	46 Å²	46	102.7 Å²	102.7	38%	0.38	53%	0.532	S	S	.	.	H	α-helix	trans	-76.4	-40.8	164.7	0	0	0	0	0	112.6	Q920 R925 N926	Q920-A922 HydrophobicContact CB-CB 4.36Å; Q920-A922 PolarHBondContact O-N 2.95Å; A922-R925 CarbonylContact O-C 3.51Å; A922-N926 WeakPolarHBondContact O-CB 3.37Å; A922-N926 PolarHBondContact O-N 2.87Å; A922-N926 PolarHBondContact O-ND2 3.09Å
923	D	44.5	Very low	42.3	Very low	64 Å²	64	99.9 Å²	99.9	34%	0.342	51%	0.509	S	S	.	.	H	α-helix	trans	-67.5	-49.7	-178.1	-51.2	-36.8	0	0	0	110.5	Q920 R925 N926 L927	Q920-D923 WeakPolarHBondContact CA-OD2 3.43Å; Q920-D923 VanDerWaalsContact CB-OD2 3.26Å; Q920-D923 WeakPolarHBondContact CB-OD2 3.39Å; Q920-D923 PolarHBondContact N-OD2 3.3Å; Q920-D923 WeakPolarHBondContact O-CB 3.44Å; Q920-D923 PolarHBondContact O-N 3.19Å; D923-R925 VanDerWaalsContact C-N 3.33Å; D923-R925 PolarHBondContact O-N 3.44Å; D923-N926 WeakPolarHBondContact O-CA 3.21Å; D923-N926 WeakPolarHBondContact O-CB 3.36Å; D923-N926 PolarHBondContact O-N 2.72Å; D923-L927 WeakPolarHBondContact O-CD1 3.48Å; D923-L927 PolarHBondContact O-N 3.35Å
924	V	47.6	Very low	43.3	Very low	31 Å²	31	102.9 Å²	102.9	19%	0.188	52%	0.517	C	S	.	.	H	α-helix	trans	-57.9	-46.7	177.5	-177.7	0	0	0	0	110.5	L919 Q920 N926 L927 E928	L919-V924 HydrophobicContact CB-CG2 4.12Å; L919-V924 HydrophobicContact CD1-CG2 4.5Å; Q920-V924 PolarHBondContact O-N 3.48Å; V924-N926 PolarHBondContact O-N 2.95Å; V924-L927 PolarHBondContact O-N 3.37Å; V924-E928 WeakPolarHBondContact O-CG 3.34Å; V924-E928 PolarHBondContact O-N 2.85Å
925	R	43.6	Very low	44.6	Very low	138 Å²	138	102.6 Å²	102.6	52%	0.521	50%	0.503	S	S	.	.	H	α-helix	trans	-75	3.1	175.1	-72	-177.5	-67	177.3	-2.5	114	D921 A922 D923 K929	D921-R925 WeakPolarHBondContact O-CB 3.41Å; D921-R925 PolarHBondContact O-NE 3.37Å; D921-R925 PolarHBondContact O-NH2 3.24Å; A922-R925 CarbonylContact O-C 3.51Å; D923-R925 VanDerWaalsContact C-N 3.33Å; D923-R925 PolarHBondContact O-N 3.44Å; R925-K929 VanDerWaalsContact O-CD 3.25Å; R925-K929 WeakPolarHBondContact O-CD 3.43Å; R925-K929 WeakPolarHBondContact O-CE 3.46Å; R925-K929 WeakPolarHBondContact O-CG 3.44Å; R925-K929 PolarHBondContact O-NZ 3.31Å
926	N	44.2	Very low	46.2	Very low	91 Å²	91	97.8 Å²	97.8	49%	0.487	48%	0.484	S	S	.	.	H	α-helix	trans	-101.4	-36.4	167.6	-76.1	-20.6	0	0	0	111	A922 D923 V924 K929	A922-N926 WeakPolarHBondContact O-CB 3.37Å; A922-N926 PolarHBondContact O-N 2.87Å; A922-N926 PolarHBondContact O-ND2 3.09Å; D923-N926 WeakPolarHBondContact O-CA 3.21Å; D923-N926 WeakPolarHBondContact O-CB 3.36Å; D923-N926 PolarHBondContact O-N 2.72Å; V924-N926 PolarHBondContact O-N 2.95Å; N926-K929 PolarHBondContact O-N 2.94Å; N926-K929 PolarHBondContact OD1-NZ 3.42Å
927	L	44.6	Very low	47.8	Very low	77 Å²	77	95.2 Å²	95.2	40%	0.403	47%	0.474	S	S	.	.	H	α-helix	trans	-58.9	-47.7	167.2	-88.5	70.4	0	0	0	111	D923 V924 K929 T930 A933	D923-L927 WeakPolarHBondContact O-CD1 3.48Å; D923-L927 PolarHBondContact O-N 3.35Å; V924-L927 PolarHBondContact O-N 3.37Å; L927-K929 PolarHBondContact O-N 2.73Å; L927-T930 PolarHBondContact O-N 2.83Å; L927-A933 WeakPolarHBondContact O-CB 3.37Å
928	E	45.3	Very low	49.2	Very low	131 Å²	131	96.3 Å²	96.3	61%	0.612	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-5.5	-178.2	-71.6	171.9	161.4	0	0	115.2	V924	V924-E928 WeakPolarHBondContact O-CG 3.34Å; V924-E928 PolarHBondContact O-N 2.85Å
929	K	44.5	Very low	50.8	Low	148 Å²	148	87.2 Å²	87.2	64%	0.643	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-6.1	-175.5	-73.6	175.4	-173.7	131.1	0	115.3	R925 N926 L927	R925-K929 VanDerWaalsContact O-CD 3.25Å; R925-K929 WeakPolarHBondContact O-CD 3.43Å; R925-K929 WeakPolarHBondContact O-CE 3.46Å; R925-K929 WeakPolarHBondContact O-CG 3.44Å; R925-K929 PolarHBondContact O-NZ 3.31Å; N926-K929 PolarHBondContact O-N 2.94Å; N926-K929 PolarHBondContact OD1-NZ 3.42Å; L927-K929 PolarHBondContact O-N 2.73Å
930	T	49	Very low	52.7	Low	66 Å²	66	82.4 Å²	82.4	41%	0.405	43%	0.427	S	S	.	.	S	Bend	trans	-118.9	139.5	178.7	62.7	0	0	0	0	111.5	L927 T932 A933	L927-T930 PolarHBondContact O-N 2.83Å; T930-T932 PolarHBondContact O-N 2.71Å; T930-T932 VanDerWaalsContact O-N 3.08Å; T930-A933 PolarHBondContact O-N 2.78Å; T930-A933 VanDerWaalsContact O-N 3.1Å
931	N	44	Very low	54.3	Low	148 Å²	148	78.4 Å²	78.4	79%	0.791	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-58	-24.8	177.1	-80.9	-42.2	0	0	0	112.6	A933 L934	N931-A933 VanDerWaalsContact C-N 3.28Å; N931-A933 PolarHBondContact O-N 2.74Å; N931-L934 PolarHBondContact O-N 3.05Å
932	T	52.5	Low	56.3	Low	13 Å²	13	80 Å²	80	8%	0.08	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-60.8	-32.6	177.5	-29.6	0	0	0	0	112.6	T930 L934 M935 E964 L965 V968	T930-T932 PolarHBondContact O-N 2.71Å; T930-T932 VanDerWaalsContact O-N 3.08Å; T932-L934 VanDerWaalsContact C-N 3.34Å; T932-L934 PolarHBondContact O-N 3.11Å; T932-M935 PolarHBondContact O-N 3.2Å; T932-E964 PolarHBondContact OG1-OE1 3.33Å; T932-L965 HydrophobicContact CG2-CD2 3.67Å; T932-L965 HydrophobicContact CG2-CG 4.43Å; T932-V968 HydrophobicContact CG2-CG2 4.23Å
933	A	52.2	Low	58	Low	36 Å²	36	80.1 Å²	80.1	30%	0.298	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-77.9	-14.1	-176.2	0	0	0	0	0	114.7	L927 T930 N931	L927-A933 WeakPolarHBondContact O-CB 3.37Å; T930-A933 PolarHBondContact O-N 2.78Å; T930-A933 VanDerWaalsContact O-N 3.1Å; N931-A933 VanDerWaalsContact C-N 3.28Å; N931-A933 PolarHBondContact O-N 2.74Å
934	L	52.6	Low	60	Low	155 Å²	155	77.8 Å²	77.8	81%	0.812	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-88.2	-2.6	175.3	-69.2	172.8	0	0	0	113.2	N931 T932	N931-L934 PolarHBondContact O-N 3.05Å; T932-L934 VanDerWaalsContact C-N 3.34Å; T932-L934 PolarHBondContact O-N 3.11Å
935	M	58.8	Low	61.8	Low	43 Å²	43	81.9 Å²	81.9	21%	0.212	42%	0.416	C	S	.	.	S	Bend	trans	-76.2	135.4	176	-63.9	-174.7	67.6	0	0	110.9	T932 A939 V940 E943 L965	T932-M935 PolarHBondContact O-N 3.2Å; M935-A939 HydrophobicContact CB-CB 4.45Å; M935-A939 HydrophobicContact CE-CB 3.96Å; M935-A939 WeakPolarHBondContact CE-O 3.49Å; M935-V940 HydrophobicContact CB-CG2 3.57Å; M935-E943 HydrophobicContact CE-CB 4.35Å; M935-E943 WeakPolarHBondContact CE-OE2 3.32Å; M935-L965 HydrophobicContact SD-CD2 4.36Å
936	S	67.3	Low	63.8	Low	66 Å²	66	82.4 Å²	82.4	46%	0.462	42%	0.418	S	S	.	.			trans	-64.8	154.7	172.4	69.8	0	0	0	0	110.6	E938 A939 V940	S936-E938 PolarHBondContact O-N 3Å; S936-E938 VanDerWaalsContact O-N 3.11Å; S936-A939 PolarHBondContact O-N 3.33Å; S936-A939 WeakPolarHBondContact OG-CB 3.49Å; S936-A939 PolarHBondContact OG-N 2.85Å; S936-V940 WeakPolarHBondContact O-CG2 3.49Å; S936-V940 PolarHBondContact O-N 2.94Å
937	Y	65.8	Low	65.7	Low	82 Å²	82	78.5 Å²	78.5	32%	0.322	40%	0.397	S	S	.	.	H	α-helix	trans	-52.2	-35.2	177	-176.6	-99.2	0	0	0	112.6	N941 V969	Y937-N941 WeakPolarHBondContact CE1-ND2 3.3Å; Y937-N941 VanDerWaalsContact O-CG 3.27Å; Y937-N941 PolarHBondContact O-N 3.02Å; Y937-N941 PolarHBondContact O-ND2 3.1Å; Y937-V969 HydrophobicContact CE2-CG1 4.36Å
938	E	68.4	Low	67.6	Low	158 Å²	158	78.4 Å²	78.4	74%	0.738	40%	0.397	S	S	*	.	H	α-helix	trans	-70.6	-44.3	176.1	-66.1	168.2	169.6	0	0	112	S936 N941 E942	S936-E938 PolarHBondContact O-N 3Å; S936-E938 VanDerWaalsContact O-N 3.11Å; E938-N941 PolarHBondContact O-N 3.43Å; E938-E942 PolarHBondContact O-N 3.28Å
939	A	74.1	Confident	69.4	Low	33 Å²	33	76.2 Å²	76.2	27%	0.273	40%	0.402	S	S	.	.	H	α-helix	trans	-67.6	-34.6	177.6	0	0	0	0	0	112.8	M935 S936 E943	M935-A939 HydrophobicContact CB-CB 4.45Å; M935-A939 HydrophobicContact CE-CB 3.96Å; M935-A939 WeakPolarHBondContact CE-O 3.49Å; S936-A939 PolarHBondContact O-N 3.33Å; S936-A939 WeakPolarHBondContact OG-CB 3.49Å; S936-A939 PolarHBondContact OG-N 2.85Å; A939-E943 PolarHBondContact O-N 2.92Å; A939-E943 VanDerWaalsContact O-N 3.11Å
940	V	77.8	Confident	71.1	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-63.1	-43.9	172.9	173	0	0	0	0	110.5	M935 S936 L944 L965 V968 V969	M935-V940 HydrophobicContact CB-CG2 3.57Å; S936-V940 WeakPolarHBondContact O-CG2 3.49Å; S936-V940 PolarHBondContact O-N 2.94Å; V940-L944 HydrophobicContact CG1-CD1 4.25Å; V940-L944 WeakPolarHBondContact O-CG 3.31Å; V940-L944 PolarHBondContact O-N 3.47Å; V940-L965 HydrophobicContact CG1-CB 4.36Å; V940-L965 HydrophobicContact CG1-CD2 3.98Å; V940-L965 HydrophobicContact CG2-CD2 4.38Å; V940-V968 HydrophobicContact CG2-CG1 4.44Å; V940-V969 HydrophobicContact CG1-CG2 3.41Å; V940-V969 VanDerWaalsContact CG1-CG2 3.41Å
941	N	79.4	Confident	72.4	Confident	50 Å²	50	76.7 Å²	76.7	27%	0.267	40%	0.4	S	S	.	.	H	α-helix	trans	-68.9	-43.1	177.5	-69.8	-11.2	0	0	0	112.2	Y937 E938 E943 L944 D945	Y937-N941 WeakPolarHBondContact CE1-ND2 3.3Å; Y937-N941 VanDerWaalsContact O-CG 3.27Å; Y937-N941 PolarHBondContact O-N 3.02Å; Y937-N941 PolarHBondContact O-ND2 3.1Å; E938-N941 PolarHBondContact O-N 3.43Å; N941-E943 VanDerWaalsContact C-N 3.25Å; N941-E943 PolarHBondContact O-N 3.28Å; N941-L944 WeakPolarHBondContact O-CB 3.33Å; N941-L944 PolarHBondContact O-N 3.45Å; N941-D945 PolarHBondContact O-N 2.68Å
942	E	81.8	Confident	73.7	Confident	105 Å²	105	77.4 Å²	77.4	49%	0.491	40%	0.404	S	S	.	.	H	α-helix	trans	-64	-30.1	178.4	-158.4	-161.4	147	0	0	112.4	E938 R946	E938-E942 PolarHBondContact O-N 3.28Å; E942-R946 VanDerWaalsContact CD-NH1 3.28Å; E942-R946 PolarHBondContact O-N 3.49Å; E942-R946 IonicContact OE1-CZ 3.11Å; E942-R946 IonicContact OE1-NH1 3.77Å; E942-R946 PolarHBondContact OE1-NH1 3.06Å; E942-R946 IonicContact OE1-NH2 3.87Å; E942-R946 PolarHBondContact OE1-NH2 2.95Å
943	E	80.5	Confident	75.2	Confident	48 Å²	48	82.3 Å²	82.3	22%	0.224	43%	0.434	C	S	.	.	H	α-helix	trans	-82	-30.8	174	-166.7	150.7	-139.4	0	0	113.1	M935 A939 N941 L947 R961 L965	M935-E943 HydrophobicContact CE-CB 4.35Å; M935-E943 WeakPolarHBondContact CE-OE2 3.32Å; A939-E943 PolarHBondContact O-N 2.92Å; A939-E943 VanDerWaalsContact O-N 3.11Å; N941-E943 VanDerWaalsContact C-N 3.25Å; N941-E943 PolarHBondContact O-N 3.28Å; E943-L947 HydrophobicContact CG-CD1 4.39Å; E943-L947 WeakPolarHBondContact O-CB 3.46Å; E943-L947 VanDerWaalsContact O-CG 3.26Å; E943-L947 WeakPolarHBondContact O-CG 3.43Å; E943-L947 PolarHBondContact O-N 3.47Å; E943-L947 VanDerWaalsContact O-N 3.16Å; E943-R961 IonicContact OE1-CZ 2.61Å; E943-R961 IonicContact OE1-NH1 2.7Å; E943-R961 PolarHBondContact OE1-NH1 3.49Å; E943-R961 IonicContact OE1-NH2 3.17Å; E943-R961 IonicContact OE2-CZ 3.71Å; E943-R961 IonicContact OE2-NH1 3.2Å; E943-R961 PolarHBondContact OE2-NH1 3.41Å; E943-R961 IonicContact OE2-NH2 3.4Å; E943-R961 PolarHBondContact OE2-NH2 2.93Å; E943-L965 HydrophobicContact CB-CD1 4.26Å; E943-L965 HydrophobicContact CG-CD1 4.05Å
944	L	85.2	Confident	76.8	Confident	15 Å²	15	81.5 Å²	81.5	8%	0.079	43%	0.425	C	S	.	.	H	α-helix	trans	-61.2	-48.9	166.5	-80.4	168.9	0	0	0	111.4	V940 N941 R946 L947 D948 Y962 L965 L966 V969	V940-L944 HydrophobicContact CG1-CD1 4.25Å; V940-L944 WeakPolarHBondContact O-CG 3.31Å; V940-L944 PolarHBondContact O-N 3.47Å; N941-L944 WeakPolarHBondContact O-CB 3.33Å; N941-L944 PolarHBondContact O-N 3.45Å; L944-R946 VanDerWaalsContact C-N 3.32Å; L944-R946 PolarHBondContact O-N 3.04Å; L944-L947 PolarHBondContact O-N 3.23Å; L944-D948 WeakPolarHBondContact O-CB 3.39Å; L944-D948 PolarHBondContact O-N 3.46Å; L944-Y962 HydrophobicContact CD2-CD2 3.66Å; L944-Y962 HydrophobicContact CD2-CE2 3.89Å; L944-Y962 HydrophobicContact CD2-CG 4.26Å; L944-L965 HydrophobicContact CD1-CB 4.25Å; L944-L965 HydrophobicContact CD2-CB 3.63Å; L944-L965 HydrophobicContact CD2-CD1 4.46Å; L944-L965 HydrophobicContact CG-CB 3.78Å; L944-L965 HydrophobicContact CG-CD1 4.43Å; L944-L966 HydrophobicContact CD1-CD2 4.12Å; L944-L966 HydrophobicContact CD2-CD2 3.95Å; L944-L966 HydrophobicContact CD2-CG 3.85Å; L944-V969 HydrophobicContact CD1-CG2 3.67Å
945	D	85.1	Confident	78.5	Confident	116 Å²	116	77.9 Å²	77.9	62%	0.62	41%	0.409	S	S	*	.	H	α-helix	trans	-59.9	-40.6	178.2	-73.8	-17.2	0	0	0	111.8	N941 L947 A949	N941-D945 PolarHBondContact O-N 2.68Å; D945-L947 VanDerWaalsContact C-N 3.27Å; D945-L947 PolarHBondContact O-N 2.98Å; D945-A949 VanDerWaalsContact O-CB 3.28Å; D945-A949 WeakPolarHBondContact O-CB 3.49Å; D945-A949 PolarHBondContact O-N 3.29Å
946	R	86.6	Confident	79.5	Confident	149 Å²	149	82.1 Å²	82.1	56%	0.562	43%	0.431	S	S	*	.	H	α-helix	trans	-63.3	-29.9	174.4	-88	-162.5	-176.3	78	6.9	114	E942 L944	E942-R946 VanDerWaalsContact CD-NH1 3.28Å; E942-R946 PolarHBondContact O-N 3.49Å; E942-R946 IonicContact OE1-CZ 3.11Å; E942-R946 IonicContact OE1-NH1 3.77Å; E942-R946 PolarHBondContact OE1-NH1 3.06Å; E942-R946 IonicContact OE1-NH2 3.87Å; E942-R946 PolarHBondContact OE1-NH2 2.95Å; L944-R946 VanDerWaalsContact C-N 3.32Å; L944-R946 PolarHBondContact O-N 3.04Å
947	L	84.9	Confident	79.9	Confident	10 Å²	10	84 Å²	84	5%	0.052	44%	0.436	C	S	.	.	H	α-helix	trans	-87.1	-39.8	-180	-72.6	176.2	0	0	0	111.2	E943 L944 D945 A949 K950 M954 E958 Y962 L965	E943-L947 HydrophobicContact CG-CD1 4.39Å; E943-L947 WeakPolarHBondContact O-CB 3.46Å; E943-L947 VanDerWaalsContact O-CG 3.26Å; E943-L947 WeakPolarHBondContact O-CG 3.43Å; E943-L947 PolarHBondContact O-N 3.47Å; E943-L947 VanDerWaalsContact O-N 3.16Å; L944-L947 PolarHBondContact O-N 3.23Å; D945-L947 VanDerWaalsContact C-N 3.27Å; D945-L947 PolarHBondContact O-N 2.98Å; L947-A949 VanDerWaalsContact C-N 3.3Å; L947-A949 PolarHBondContact O-N 3.05Å; L947-K950 WeakPolarHBondContact O-CB 3.49Å; L947-K950 PolarHBondContact O-N 3Å; L947-M954 HydrophobicContact CB-SD 3.82Å; L947-M954 HydrophobicContact CD2-SD 4.01Å; L947-M954 HydrophobicContact CG-SD 4.41Å; L947-E958 HydrophobicContact CD2-CB 3.96Å; L947-E958 HydrophobicContact CD2-CG 4.1Å; L947-Y962 HydrophobicContact CB-CD2 3.73Å; L947-Y962 HydrophobicContact CB-CG 4.5Å; L947-L965 HydrophobicContact CD1-CD1 4.03Å
948	D	83.4	Confident	80.7	Confident	74 Å²	74	82.3 Å²	82.3	40%	0.396	43%	0.431	S	S	.	.	H	α-helix	trans	-61.8	-39.1	175	-154.1	71.3	0	0	0	111.7	L944 K950 Q951 Y962	L944-D948 WeakPolarHBondContact O-CB 3.39Å; L944-D948 PolarHBondContact O-N 3.46Å; D948-K950 PolarHBondContact O-N 3.31Å; D948-Q951 WeakPolarHBondContact O-CG 3.44Å; D948-Q951 PolarHBondContact O-N 3.42Å; D948-Y962 HydrophobicContact CB-CE2 3.94Å; D948-Y962 PolarHBondContact OD1-OH 3.14Å
949	A	83.5	Confident	81.3	Confident	86 Å²	86	78.4 Å²	78.4	71%	0.711	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-13.7	174.1	0	0	0	0	0	114.7	D945 L947	D945-A949 VanDerWaalsContact O-CB 3.28Å; D945-A949 WeakPolarHBondContact O-CB 3.49Å; D945-A949 PolarHBondContact O-N 3.29Å; L947-A949 VanDerWaalsContact C-N 3.3Å; L947-A949 PolarHBondContact O-N 3.05Å
950	K	79.8	Confident	81.7	Confident	83 Å²	83	84.3 Å²	84.3	36%	0.361	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-19.5	173	-59.6	-174.3	-178.4	-170.4	0	113.3	L947 D948 N952 T953 M954 E958	L947-K950 WeakPolarHBondContact O-CB 3.49Å; L947-K950 PolarHBondContact O-N 3Å; D948-K950 PolarHBondContact O-N 3.31Å; K950-N952 PolarHBondContact O-N 3.39Å; K950-N952 VanDerWaalsContact O-N 3.17Å; K950-T953 PolarHBondContact O-N 3.04Å; K950-T953 PolarHBondContact O-OG1 2.99Å; K950-T953 VanDerWaalsContact O-OG1 3.06Å; K950-M954 HydrophobicContact CB-CB 4.15Å; K950-E958 IonicContact NZ-OE1 2.84Å; K950-E958 PolarHBondContact NZ-OE1 3.06Å
951	Q	76.1	Confident	81.7	Confident	141 Å²	141	89 Å²	89	66%	0.659	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	41.2	-119.6	-178.5	-59.1	-171.7	-23.4	0	0	112.1	D948 T953 M954	D948-Q951 WeakPolarHBondContact O-CG 3.44Å; D948-Q951 PolarHBondContact O-N 3.42Å; Q951-T953 PolarHBondContact O-N 2.74Å; Q951-M954 WeakPolarHBondContact O-CB 3.5Å; Q951-M954 PolarHBondContact O-N 3.25Å
952	N	72.2	Confident	81.9	Confident	163 Å²	163	89 Å²	89	87%	0.872	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-72.4	-6	-176.2	-66.2	11.9	0	0	0	114.5	K950	K950-N952 PolarHBondContact O-N 3.39Å; K950-N952 VanDerWaalsContact O-N 3.17Å
953	T	84.6	Confident	81.9	Confident	116 Å²	116	92.3 Å²	92.3	71%	0.712	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-94.8	4.4	175.3	79.6	0	0	0	0	113.3	K950 Q951	K950-T953 PolarHBondContact O-N 3.04Å; K950-T953 PolarHBondContact O-OG1 2.99Å; K950-T953 VanDerWaalsContact O-OG1 3.06Å; Q951-T953 PolarHBondContact O-N 2.74Å
954	M	85.1	Confident	81.8	Confident	19 Å²	19	93.7 Å²	93.7	9%	0.094	46%	0.457	C	S	.	.			trans	-71.7	127.9	179.7	-172.8	161.9	39.9	0	0	111.2	L947 K950 Q951 E958 Q959 Y962	L947-M954 HydrophobicContact CB-SD 3.82Å; L947-M954 HydrophobicContact CD2-SD 4.01Å; L947-M954 HydrophobicContact CG-SD 4.41Å; K950-M954 HydrophobicContact CB-CB 4.15Å; Q951-M954 WeakPolarHBondContact O-CB 3.5Å; Q951-M954 PolarHBondContact O-N 3.25Å; M954-E958 HydrophobicContact CG-CB 3.33Å; M954-E958 HydrophobicContact SD-CB 3.96Å; M954-Q959 HydrophobicContact CB-CG 4.07Å; M954-Q959 HydrophobicContact CE-CG 4.08Å; M954-Q959 HydrophobicContact CG-CG 3.85Å; M954-Q959 PolarHBondContact O-NE2 3.17Å; M954-Q959 HydrophobicContact SD-CG 4.46Å; M954-Y962 HydrophobicContact CE-CD1 4.25Å; M954-Y962 HydrophobicContact CE-CD2 4.3Å; M954-Y962 HydrophobicContact CE-CG 3.96Å; M954-Y962 HydrophobicContact SD-CG 4.36Å
955	T	88.3	Confident	81.7	Confident	79 Å²	79	93 Å²	93	49%	0.485	45%	0.453	S	S	.	.			trans	-69.5	164	-179	62.3	0	0	0	0	112.3	D957 E958 Q959	T955-D957 VanDerWaalsContact C-N 3.3Å; T955-D957 PolarHBondContact O-N 3.34Å; T955-E958 WeakPolarHBondContact CB-OE2 3.34Å; T955-E958 WeakPolarHBondContact CG2-OE2 3.41Å; T955-E958 PolarHBondContact N-OE2 3.37Å; T955-E958 PolarHBondContact O-N 3.5Å; T955-E958 VanDerWaalsContact O-N 3.14Å; T955-E958 VanDerWaalsContact OG1-CD 3.23Å; T955-E958 VanDerWaalsContact OG1-CG 3.22Å; T955-E958 WeakPolarHBondContact OG1-CG 3.45Å; T955-E958 PolarHBondContact OG1-OE2 3.49Å; T955-Q959 WeakPolarHBondContact O-CG 3.41Å; T955-Q959 PolarHBondContact O-N 3.28Å
956	I	79.8	Confident	81.4	Confident	132 Å²	132	91.1 Å²	91.1	68%	0.677	44%	0.443	S	S	*	.	H	α-helix	trans	-58.6	-39.1	-174.7	-63.8	173.7	0	0	0	112.3	R960	I956-R960 PolarHBondContact O-N 2.59Å
957	D	75.1	Confident	80.9	Confident	105 Å²	105	89.8 Å²	89.8	56%	0.561	45%	0.447	S	S	*	.	H	α-helix	trans	-78.2	-30	179.2	-62.7	-50.3	0	0	0	112.6	T955 R960 R961	T955-D957 VanDerWaalsContact C-N 3.3Å; T955-D957 PolarHBondContact O-N 3.34Å; D957-R960 WeakPolarHBondContact O-CB 3.43Å; D957-R960 PolarHBondContact O-N 3.23Å; D957-R960 IonicContact OD1-CZ 3.92Å; D957-R960 IonicContact OD1-NE 3.71Å; D957-R960 IonicContact OD1-NH2 3.35Å; D957-R960 PolarHBondContact OD1-NH2 3.14Å; D957-R961 WeakPolarHBondContact O-CB 3.44Å; D957-R961 PolarHBondContact O-N 2.93Å
958	E	82	Confident	80.5	Confident	46 Å²	46	90.4 Å²	90.4	22%	0.215	45%	0.451	C	S	.	.	H	α-helix	trans	-68.3	-40.4	168.7	-70	172.5	128.8	0	0	111.8	L947 K950 M954 T955 R960 R961 Y962	L947-E958 HydrophobicContact CD2-CB 3.96Å; L947-E958 HydrophobicContact CD2-CG 4.1Å; K950-E958 IonicContact NZ-OE1 2.84Å; K950-E958 PolarHBondContact NZ-OE1 3.06Å; M954-E958 HydrophobicContact CG-CB 3.33Å; M954-E958 HydrophobicContact SD-CB 3.96Å; T955-E958 WeakPolarHBondContact CB-OE2 3.34Å; T955-E958 WeakPolarHBondContact CG2-OE2 3.41Å; T955-E958 PolarHBondContact N-OE2 3.37Å; T955-E958 PolarHBondContact O-N 3.5Å; T955-E958 VanDerWaalsContact O-N 3.14Å; T955-E958 VanDerWaalsContact OG1-CD 3.23Å; T955-E958 VanDerWaalsContact OG1-CG 3.22Å; T955-E958 WeakPolarHBondContact OG1-CG 3.45Å; T955-E958 PolarHBondContact OG1-OE2 3.49Å; E958-R960 VanDerWaalsContact C-N 3.27Å; E958-R960 PolarHBondContact O-N 3.33Å; E958-R961 PolarHBondContact O-N 3.21Å; E958-Y962 WeakPolarHBondContact O-CB 3.41Å; E958-Y962 PolarHBondContact O-N 3.44Å
959	Q	82.3	Confident	80	Confident	76 Å²	76	88 Å²	88	36%	0.355	44%	0.439	S	S	.	.	H	α-helix	trans	-62.1	-35.8	173.1	-71.1	-179.7	28.5	0	0	111.5	M954 T955 R963	M954-Q959 HydrophobicContact CB-CG 4.07Å; M954-Q959 HydrophobicContact CE-CG 4.08Å; M954-Q959 HydrophobicContact CG-CG 3.85Å; M954-Q959 PolarHBondContact O-NE2 3.17Å; M954-Q959 HydrophobicContact SD-CG 4.46Å; T955-Q959 WeakPolarHBondContact O-CG 3.41Å; T955-Q959 PolarHBondContact O-N 3.28Å; Q959-R963 WeakPolarHBondContact O-CG 3.49Å; Q959-R963 PolarHBondContact O-N 3.05Å
960	R	81.4	Confident	79.5	Confident	158 Å²	158	86 Å²	86	60%	0.596	42%	0.422	S	S	*	.	H	α-helix	trans	-63.8	-50.7	171.5	-169	-166.2	-52.5	-132.8	6.5	110.6	I956 D957 E958 Y962 R963 E964	I956-R960 PolarHBondContact O-N 2.59Å; D957-R960 WeakPolarHBondContact O-CB 3.43Å; D957-R960 PolarHBondContact O-N 3.23Å; D957-R960 IonicContact OD1-CZ 3.92Å; D957-R960 IonicContact OD1-NE 3.71Å; D957-R960 IonicContact OD1-NH2 3.35Å; D957-R960 PolarHBondContact OD1-NH2 3.14Å; E958-R960 VanDerWaalsContact C-N 3.27Å; E958-R960 PolarHBondContact O-N 3.33Å; R960-Y962 PolarHBondContact O-N 3.35Å; R960-R963 PolarHBondContact O-N 3.06Å; R960-E964 PolarHBondContact O-N 3.32Å
961	R	78.7	Confident	78.8	Confident	97 Å²	97	86.5 Å²	86.5	37%	0.366	43%	0.425	S	S	.	.	H	α-helix	trans	-64.9	-37	-178.2	-166.4	170.2	-175	-131.2	-10.6	113	E943 D957 E958 E964 L965	E943-R961 IonicContact OE1-CZ 2.61Å; E943-R961 IonicContact OE1-NH1 2.7Å; E943-R961 PolarHBondContact OE1-NH1 3.49Å; E943-R961 IonicContact OE1-NH2 3.17Å; E943-R961 IonicContact OE2-CZ 3.71Å; E943-R961 IonicContact OE2-NH1 3.2Å; E943-R961 PolarHBondContact OE2-NH1 3.41Å; E943-R961 IonicContact OE2-NH2 3.4Å; E943-R961 PolarHBondContact OE2-NH2 2.93Å; D957-R961 WeakPolarHBondContact O-CB 3.44Å; D957-R961 PolarHBondContact O-N 2.93Å; E958-R961 PolarHBondContact O-N 3.21Å; R961-E964 WeakPolarHBondContact O-CB 3.49Å; R961-E964 PolarHBondContact O-N 3.21Å; R961-L965 HydrophobicContact CG-CD1 4.29Å; R961-L965 VanDerWaalsContact O-CG 3.32Å; R961-L965 WeakPolarHBondContact O-CG 3.26Å; R961-L965 PolarHBondContact O-N 2.87Å
962	Y	84.5	Confident	78.2	Confident	52 Å²	52	82.4 Å²	82.4	20%	0.204	41%	0.406	C	S	.	.	H	α-helix	trans	-60.2	-46.5	172.4	177.8	-94.6	0	0	0	111.6	L944 L947 D948 M954 E958 R960 E964 L965 L966	L944-Y962 HydrophobicContact CD2-CD2 3.66Å; L944-Y962 HydrophobicContact CD2-CE2 3.89Å; L944-Y962 HydrophobicContact CD2-CG 4.26Å; L947-Y962 HydrophobicContact CB-CD2 3.73Å; L947-Y962 HydrophobicContact CB-CG 4.5Å; D948-Y962 HydrophobicContact CB-CE2 3.94Å; D948-Y962 PolarHBondContact OD1-OH 3.14Å; M954-Y962 HydrophobicContact CE-CD1 4.25Å; M954-Y962 HydrophobicContact CE-CD2 4.3Å; M954-Y962 HydrophobicContact CE-CG 3.96Å; M954-Y962 HydrophobicContact SD-CG 4.36Å; E958-Y962 WeakPolarHBondContact O-CB 3.41Å; E958-Y962 PolarHBondContact O-N 3.44Å; R960-Y962 PolarHBondContact O-N 3.35Å; Y962-E964 VanDerWaalsContact C-N 3.33Å; Y962-E964 PolarHBondContact O-N 3.14Å; Y962-L965 PolarHBondContact O-N 2.93Å; Y962-L966 HydrophobicContact CD1-CD1 3.92Å; Y962-L966 HydrophobicContact CE1-CD1 3.48Å; Y962-L966 VanDerWaalsContact CE1-CD1 3.48Å; Y962-L966 HydrophobicContact CE1-CG 4.29Å; Y962-L966 WeakPolarHBondContact O-CG 3.04Å; Y962-L966 PolarHBondContact O-N 3.08Å
963	R	81.8	Confident	77.9	Confident	173 Å²	173	77.1 Å²	77.1	65%	0.653	38%	0.382	S	S	*	.	H	α-helix	trans	-64.4	-35.3	174.4	-71.3	174.8	-179.6	167.5	3.4	112.9	Q959 R960 N967	Q959-R963 WeakPolarHBondContact O-CG 3.49Å; Q959-R963 PolarHBondContact O-N 3.05Å; R960-R963 PolarHBondContact O-N 3.06Å; R963-N967 PolarHBondContact O-N 2.83Å
964	E	78.4	Confident	76.8	Confident	77 Å²	77	80 Å²	80	36%	0.36	38%	0.38	S	S	.	.	H	α-helix	trans	-65.4	-47.7	176	-164.3	-178.1	141.9	0	0	111.3	T932 R960 R961 Y962 L966 N967 V968	T932-E964 PolarHBondContact OG1-OE1 3.33Å; R960-E964 PolarHBondContact O-N 3.32Å; R961-E964 WeakPolarHBondContact O-CB 3.49Å; R961-E964 PolarHBondContact O-N 3.21Å; Y962-E964 VanDerWaalsContact C-N 3.33Å; Y962-E964 PolarHBondContact O-N 3.14Å; E964-L966 PolarHBondContact O-N 3.32Å; E964-N967 WeakPolarHBondContact O-CB 3.13Å; E964-N967 PolarHBondContact O-N 2.98Å; E964-V968 PolarHBondContact O-N 3.36Å; E964-V968 VanDerWaalsContact O-N 3.08Å
965	L	81.6	Confident	75.3	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-62.2	-40	175.8	-69.5	164.8	0	0	0	112.1	T932 M935 V940 E943 L944 L947 R961 Y962 N967 V968 V969	T932-L965 HydrophobicContact CG2-CD2 3.67Å; T932-L965 HydrophobicContact CG2-CG 4.43Å; M935-L965 HydrophobicContact SD-CD2 4.36Å; V940-L965 HydrophobicContact CG1-CB 4.36Å; V940-L965 HydrophobicContact CG1-CD2 3.98Å; V940-L965 HydrophobicContact CG2-CD2 4.38Å; E943-L965 HydrophobicContact CB-CD1 4.26Å; E943-L965 HydrophobicContact CG-CD1 4.05Å; L944-L965 HydrophobicContact CD1-CB 4.25Å; L944-L965 HydrophobicContact CD2-CB 3.63Å; L944-L965 HydrophobicContact CD2-CD1 4.46Å; L944-L965 HydrophobicContact CG-CB 3.78Å; L944-L965 HydrophobicContact CG-CD1 4.43Å; L947-L965 HydrophobicContact CD1-CD1 4.03Å; R961-L965 HydrophobicContact CG-CD1 4.29Å; R961-L965 VanDerWaalsContact O-CG 3.32Å; R961-L965 WeakPolarHBondContact O-CG 3.26Å; R961-L965 PolarHBondContact O-N 2.87Å; Y962-L965 PolarHBondContact O-N 2.93Å; L965-N967 VanDerWaalsContact C-N 3.32Å; L965-N967 PolarHBondContact O-N 3.13Å; L965-V968 PolarHBondContact O-N 3.31Å; L965-V968 VanDerWaalsContact O-N 3.16Å; L965-V969 WeakPolarHBondContact O-CG2 3.27Å; L965-V969 PolarHBondContact O-N 3.36Å
966	L	79.9	Confident	73.7	Confident	78 Å²	78	84.9 Å²	84.9	41%	0.408	40%	0.398	S	S	.	.	H	α-helix	trans	-60.1	-39.5	174.1	-76	177.6	0	0	0	112.7	L944 Y962 E964 V969 A970	L944-L966 HydrophobicContact CD1-CD2 4.12Å; L944-L966 HydrophobicContact CD2-CD2 3.95Å; L944-L966 HydrophobicContact CD2-CG 3.85Å; Y962-L966 HydrophobicContact CD1-CD1 3.92Å; Y962-L966 HydrophobicContact CE1-CD1 3.48Å; Y962-L966 VanDerWaalsContact CE1-CD1 3.48Å; Y962-L966 HydrophobicContact CE1-CG 4.29Å; Y962-L966 WeakPolarHBondContact O-CG 3.04Å; Y962-L966 PolarHBondContact O-N 3.08Å; E964-L966 PolarHBondContact O-N 3.32Å; L966-V969 PolarHBondContact O-N 2.74Å; L966-A970 PolarHBondContact O-N 2.86Å
967	N	76.1	Confident	72.4	Confident	120 Å²	120	84.5 Å²	84.5	64%	0.642	39%	0.392	S	S	*	.	H	α-helix	trans	-64.9	-42.3	173.6	-89.7	-11.5	0	0	0	111.7	R963 E964 L965 V969 A970 E971	R963-N967 PolarHBondContact O-N 2.83Å; E964-N967 WeakPolarHBondContact O-CB 3.13Å; E964-N967 PolarHBondContact O-N 2.98Å; L965-N967 VanDerWaalsContact C-N 3.32Å; L965-N967 PolarHBondContact O-N 3.13Å; N967-V969 PolarHBondContact O-N 2.75Å; N967-A970 PolarHBondContact O-N 3.07Å; N967-E971 WeakPolarHBondContact O-CB 3.37Å; N967-E971 PolarHBondContact O-N 3.32Å
968	V	75.8	Confident	71	Confident	23 Å²	23	84.1 Å²	84.1	14%	0.139	39%	0.389	C	S	.	.	H	α-helix	trans	-60.3	-43.1	176.1	173.7	0	0	0	0	111.3	T932 V940 E964 L965 A970 E971 Q972	T932-V968 HydrophobicContact CG2-CG2 4.23Å; V940-V968 HydrophobicContact CG2-CG1 4.44Å; E964-V968 PolarHBondContact O-N 3.36Å; E964-V968 VanDerWaalsContact O-N 3.08Å; L965-V968 PolarHBondContact O-N 3.31Å; L965-V968 VanDerWaalsContact O-N 3.16Å; V968-A970 PolarHBondContact O-N 3.27Å; V968-E971 PolarHBondContact O-N 3.35Å; V968-Q972 HydrophobicContact CG1-CG 4.33Å; V968-Q972 WeakPolarHBondContact O-CB 3.28Å; V968-Q972 WeakPolarHBondContact O-CG 3.09Å; V968-Q972 PolarHBondContact O-N 3.02Å
969	V	73.6	Confident	69.2	Low	25 Å²	25	87 Å²	87	15%	0.152	41%	0.406	C	S	.	.	H	α-helix	trans	-62.1	-43.6	174.7	175.1	0	0	0	0	111.6	Y937 V940 L944 L965 L966 N967 E971 S973	Y937-V969 HydrophobicContact CE2-CG1 4.36Å; V940-V969 HydrophobicContact CG1-CG2 3.41Å; V940-V969 VanDerWaalsContact CG1-CG2 3.41Å; L944-V969 HydrophobicContact CD1-CG2 3.67Å; L965-V969 WeakPolarHBondContact O-CG2 3.27Å; L965-V969 PolarHBondContact O-N 3.36Å; L966-V969 PolarHBondContact O-N 2.74Å; N967-V969 PolarHBondContact O-N 2.75Å; V969-E971 VanDerWaalsContact C-N 3.33Å; V969-E971 PolarHBondContact O-N 3.36Å; V969-S973 VanDerWaalsContact O-CB 3.28Å; V969-S973 WeakPolarHBondContact O-CB 3.48Å; V969-S973 PolarHBondContact O-N 3.15Å; V969-S973 PolarHBondContact O-OG 2.8Å
970	A	72.6	Confident	67.3	Low	42 Å²	42	86.8 Å²	86.8	35%	0.347	41%	0.413	S	S	.	.	H	α-helix	trans	-64	-38.2	178.3	0	0	0	0	0	112.3	L966 N967 V968 S973 R974	L966-A970 PolarHBondContact O-N 2.86Å; N967-A970 PolarHBondContact O-N 3.07Å; V968-A970 PolarHBondContact O-N 3.27Å; A970-S973 PolarHBondContact O-N 3.03Å; A970-R974 WeakPolarHBondContact O-CG 3.41Å; A970-R974 PolarHBondContact O-N 3.38Å
971	E	64.8	Low	65.4	Low	94 Å²	94	83.9 Å²	83.9	44%	0.439	41%	0.406	S	S	.	.	H	α-helix	trans	-73.1	-45.8	179.3	-169.3	158	-119.7	0	0	112.4	N967 V968 V969 S973 R974 A975	N967-E971 WeakPolarHBondContact O-CB 3.37Å; N967-E971 PolarHBondContact O-N 3.32Å; V968-E971 PolarHBondContact O-N 3.35Å; V969-E971 VanDerWaalsContact C-N 3.33Å; V969-E971 PolarHBondContact O-N 3.36Å; E971-S973 PolarHBondContact O-N 3.43Å; E971-R974 PolarHBondContact O-N 2.78Å; E971-R974 VanDerWaalsContact O-N 3.14Å; E971-A975 PolarHBondContact O-N 2.73Å
972	Q	64.9	Low	63.5	Low	55 Å²	55	84.6 Å²	84.6	26%	0.257	42%	0.416	S	S	.	.	H	α-helix	trans	-59.7	-34.1	171.9	-70.3	-176	8.8	0	0	112	V968 R976	V968-Q972 HydrophobicContact CG1-CG 4.33Å; V968-Q972 WeakPolarHBondContact O-CB 3.28Å; V968-Q972 WeakPolarHBondContact O-CG 3.09Å; V968-Q972 PolarHBondContact O-N 3.02Å; Q972-R976 PolarHBondContact O-N 3.4Å
973	S	64.4	Low	61.2	Low	53 Å²	53	93.1 Å²	93.1	37%	0.371	45%	0.447	S	S	.	.	H	α-helix	trans	-68.8	-40.5	175.1	-59.8	0	0	0	0	112.5	V969 A970 E971 R976 K977	V969-S973 VanDerWaalsContact O-CB 3.28Å; V969-S973 WeakPolarHBondContact O-CB 3.48Å; V969-S973 PolarHBondContact O-N 3.15Å; V969-S973 PolarHBondContact O-OG 2.8Å; A970-S973 PolarHBondContact O-N 3.03Å; E971-S973 PolarHBondContact O-N 3.43Å; S973-R976 PolarHBondContact O-N 3.38Å; S973-K977 PolarHBondContact O-N 2.87Å
974	R	62.3	Low	58.9	Low	177 Å²	177	88.6 Å²	88.6	67%	0.668	44%	0.442	S	S	*	.	H	α-helix	trans	-63.5	-44.3	173.3	-73.8	170.6	-179.7	160.4	1.2	111.8	A970 E971 R976 K977 L978	A970-R974 WeakPolarHBondContact O-CG 3.41Å; A970-R974 PolarHBondContact O-N 3.38Å; E971-R974 PolarHBondContact O-N 2.78Å; E971-R974 VanDerWaalsContact O-N 3.14Å; R974-R976 PolarHBondContact O-N 3.47Å; R974-K977 PolarHBondContact O-N 3.17Å; R974-K977 VanDerWaalsContact O-N 3.16Å; R974-L978 PolarHBondContact O-N 2.92Å
975	A	52.6	Low	56.7	Low	45 Å²	45	90.1 Å²	90.1	37%	0.372	46%	0.459	S	S	.	.	H	α-helix	trans	-59.9	-44.2	177	0	0	0	0	0	111.9	E971 K977 L978 L979	E971-A975 PolarHBondContact O-N 2.73Å; A975-K977 PolarHBondContact O-N 3.3Å; A975-L978 PolarHBondContact O-N 3.19Å; A975-L979 WeakPolarHBondContact O-CG 3.48Å; A975-L979 PolarHBondContact O-N 3.37Å
976	R	56.4	Low	54.3	Low	154 Å²	154	96.2 Å²	96.2	58%	0.581	50%	0.499	S	S	*	.	H	α-helix	trans	-61.4	-38.7	173.3	-82.1	-179.7	164.9	167.3	-3.8	113	Q972 S973 R974 L979 S980	Q972-R976 PolarHBondContact O-N 3.4Å; S973-R976 PolarHBondContact O-N 3.38Å; R974-R976 PolarHBondContact O-N 3.47Å; R976-L979 PolarHBondContact O-N 2.64Å; R976-S980 PolarHBondContact O-N 2.89Å; R976-S980 VanDerWaalsContact O-N 3.09Å
977	K	51.8	Low	51.8	Low	125 Å²	125	99.1 Å²	99.1	54%	0.543	52%	0.52	S	S	.	.	H	α-helix	trans	-64.2	-47.7	176.9	-165.7	176.4	-172.1	-93.4	0	111.8	S973 R974 A975 L979 S980 E981	S973-K977 PolarHBondContact O-N 2.87Å; R974-K977 PolarHBondContact O-N 3.17Å; R974-K977 VanDerWaalsContact O-N 3.16Å; A975-K977 PolarHBondContact O-N 3.3Å; K977-L979 VanDerWaalsContact C-N 3.31Å; K977-L979 PolarHBondContact O-N 3.05Å; K977-S980 WeakPolarHBondContact O-CB 3.42Å; K977-S980 PolarHBondContact O-N 3.5Å; K977-S980 PolarHBondContact O-OG 3.1Å; K977-E981 WeakPolarHBondContact CE-OE1 3.48Å; K977-E981 IonicContact NZ-OE1 2.67Å; K977-E981 PolarHBondContact NZ-OE1 3.46Å; K977-E981 PolarHBondContact O-N 3.21Å
978	L	45.7	Very low	49.6	Very low	97 Å²	97	98.7 Å²	98.7	51%	0.508	53%	0.526	S	S	.	.	H	α-helix	trans	-60.6	-38.7	176.4	-71.5	167.9	0	0	0	112.4	R974 A975 S980 E981 I982	R974-L978 PolarHBondContact O-N 2.92Å; A975-L978 PolarHBondContact O-N 3.19Å; L978-S980 VanDerWaalsContact C-N 3.27Å; L978-S980 PolarHBondContact O-N 2.99Å; L978-E981 PolarHBondContact O-N 3.11Å; L978-I982 WeakPolarHBondContact O-CD1 3.42Å; L978-I982 VanDerWaalsContact O-CG1 3.31Å; L978-I982 WeakPolarHBondContact O-CG1 3.26Å; L978-I982 PolarHBondContact O-N 3Å
979	L	44.7	Very low	47.5	Very low	106 Å²	106	109.1 Å²	109.1	56%	0.555	57%	0.565	S	S	*	*	H	α-helix	trans	-65.5	-27.7	173.8	-73	168.2	0	0	0	113.3	A975 R976 K977	A975-L979 WeakPolarHBondContact O-CG 3.48Å; A975-L979 PolarHBondContact O-N 3.37Å; R976-L979 PolarHBondContact O-N 2.64Å; K977-L979 VanDerWaalsContact C-N 3.31Å; K977-L979 PolarHBondContact O-N 3.05Å
980	S	42.3	Very low	45.4	Very low	72 Å²	72	116.6 Å²	116.6	50%	0.503	60%	0.598	S	S	.	*	H	α-helix	trans	-76.7	-40.1	173.9	70.7	0	0	0	0	112.8	R976 K977 L978 I982 R983	R976-S980 PolarHBondContact O-N 2.89Å; R976-S980 VanDerWaalsContact O-N 3.09Å; K977-S980 WeakPolarHBondContact O-CB 3.42Å; K977-S980 PolarHBondContact O-N 3.5Å; K977-S980 PolarHBondContact O-OG 3.1Å; L978-S980 VanDerWaalsContact C-N 3.27Å; L978-S980 PolarHBondContact O-N 2.99Å; S980-I982 VanDerWaalsContact C-N 3.26Å; S980-I982 PolarHBondContact O-N 3.38Å; S980-R983 PolarHBondContact O-N 3.49Å; S980-R983 VanDerWaalsContact O-N 3.08Å
981	E	41.7	Very low	43.3	Very low	96 Å²	96	123.7 Å²	123.7	45%	0.449	62%	0.624	S	S	.	*	H	α-helix	trans	-68.2	-23.9	179.6	-69.6	168.6	177.8	0	0	112.8	K977 L978 R983 S984	K977-E981 WeakPolarHBondContact CE-OE1 3.48Å; K977-E981 IonicContact NZ-OE1 2.67Å; K977-E981 PolarHBondContact NZ-OE1 3.46Å; K977-E981 PolarHBondContact O-N 3.21Å; L978-E981 PolarHBondContact O-N 3.11Å; E981-R983 VanDerWaalsContact C-N 3.32Å; E981-S984 PolarHBondContact O-OG 3.28Å
982	I	39	Very low	41.6	Very low	113 Å²	113	130.8 Å²	130.8	58%	0.579	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-16.2	173.9	-69	166.4	0	0	0	112.4	L978 S980	L978-I982 WeakPolarHBondContact O-CD1 3.42Å; L978-I982 VanDerWaalsContact O-CG1 3.31Å; L978-I982 WeakPolarHBondContact O-CG1 3.26Å; L978-I982 PolarHBondContact O-N 3Å; S980-I982 VanDerWaalsContact C-N 3.26Å; S980-I982 PolarHBondContact O-N 3.38Å
983	R	34.7	Very low	39.7	Very low	230 Å²	230	136.5 Å²	136.5	87%	0.868	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-4.1	-173.4	-153.2	175.4	-178.4	-170.2	-1	114.4	S980 E981	S980-R983 PolarHBondContact O-N 3.49Å; S980-R983 VanDerWaalsContact O-N 3.08Å; E981-R983 VanDerWaalsContact C-N 3.32Å
984	S	33.2	Very low	37.8	Very low	78 Å²	78	141.3 Å²	141.3	55%	0.545	69%	0.693	S	S	.	*	S	Bend	trans	-94.9	134.2	175.9	43.7	0	0	0	0	112.3	E981	E981-S984 PolarHBondContact O-OG 3.28Å
985	P	32.6	Very low	36.2	Very low	109 Å²	109	138.7 Å²	138.7	71%	0.708	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-71.6	151.9	174.2	31.3	-35	0	0	0	111.7
986	P	31.8	Very low	35	Very low	129 Å²	129	144.1 Å²	144.1	84%	0.838	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-82.8	128	-176.9	32	-33.9	0	0	0	112.7
987	T	26.5	Very low	33.4	Very low	138 Å²	138	144.7 Å²	144.7	85%	0.847	73%	0.729	S	S	*	*			trans	-136.6	94	169.3	43.1	0	0	0	0	111.7
988	S	30.8	Very low	32.1	Very low	111 Å²	111	145 Å²	145	78%	0.776	74%	0.741	S	S	*	*			trans	-160.6	89.7	159	63.2	0	0	0	0	110.9
989	Y	30.4	Very low	31.1	Very low	242 Å²	242	148.1 Å²	148.1	95%	0.949	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-88.4	117.4	158.4	-84.5	-85	0	0	0	108.1
990	Q	29.7	Very low	30.2	Very low	183 Å²	183	151.4 Å²	151.4	86%	0.855	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-95.6	136.3	163.2	-76.2	-174.1	-30.1	0	0	108.7
991	E	29.1	Very low	29.4	Very low	190 Å²	190	153.9 Å²	153.9	89%	0.888	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-67.1	139.9	177.8	-64.7	169.8	116.2	0	0	111.7
992	R	28.1	Very low	28.7	Very low	243 Å²	243	155.6 Å²	155.6	92%	0.917	78%	0.775	S	S	*	*			trans	-141.2	123.3	152.9	-68.5	-166.8	-173.6	-168	4.2	108.4
993	E	25.8	Very low	28.2	Very low	176 Å²	176	157.7 Å²	157.7	82%	0.822	78%	0.782	S	S	*	*			trans	-83	-180	176.4	-64	-174.1	112.9	0	0	112.8
994	I	25.3	Very low	27.9	Very low	154 Å²	154	154.1 Å²	154.1	79%	0.79	78%	0.775	S	S	*	*			trans	84.8	128.3	159.9	-48.6	173.2	0	0	0	115.6
995	P	27.7	Very low	27.6	Very low	122 Å²	122	157.1 Å²	157.1	79%	0.792	78%	0.78	S	S	*	*			cis	-131.7	-173.8	-20.5	38.7	-20.8	0	0	0	114.2
996	I	26.8	Very low	27.3	Very low	159 Å²	159	160.1 Å²	160.1	82%	0.815	78%	0.778	S	S	*	*			trans	-102.7	128.1	-179	-60.7	167.9	0	0	0	112.9
997	H	24.8	Very low	27.1	Very low	166 Å²	166	162.7 Å²	162.7	77%	0.769	77%	0.771	S	S	*	*			trans	-175.2	166.8	150.1	-111	65.5	0	0	0	109.3
998	V	24.4	Very low	27.1	Very low	130 Å²	130	164.1 Å²	164.1	79%	0.788	77%	0.767	S	S	*	*			cis	-128.7	-174.3	8.5	-168.9	0	0	0	0	109.7
999	Q	24.4	Very low	27	Very low	164 Å²	164	165 Å²	165	77%	0.766	77%	0.768	S	S	*	*			trans	-91.8	156.1	179.4	-54.4	156.2	-27.7	0	0	114.5
1000	K	25.7	Very low	26.9	Very low	175 Å²	175	159.8 Å²	159.8	76%	0.761	76%	0.762	S	S	*	*			trans	153.2	143.2	131.7	-88.2	176.9	174.8	-82.7	0	111.7
1001	E	25.5	Very low	26.7	Very low	124 Å²	124	157.8 Å²	157.8	58%	0.579	76%	0.755	S	S	*	*			cis	-165.2	164.7	-18	-136.1	-175.2	111.1	0	0	111
1002	Q	26.2	Very low	26.6	Very low	131 Å²	131	155.5 Å²	155.5	61%	0.612	75%	0.749	S	S	*	*			trans	76.3	124.4	150.1	-73.7	-179.7	36.7	0	0	124.3
1003	Q	27.7	Very low	26.5	Very low	157 Å²	157	151.4 Å²	151.4	73%	0.734	75%	0.746	S	S	*	*			trans	73.4	152.9	138.1	-65	-179.7	54.3	0	0	121.4
1004	Q	29.4	Very low	26.8	Very low	155 Å²	155	150.3 Å²	150.3	72%	0.724	74%	0.744	S	S	*	*			cis	-171.1	167.6	-44.3	-129.3	-171.9	22	0	0	111
1005	H	26.9	Very low	27.5	Very low	142 Å²	142	147.7 Å²	147.7	66%	0.657	74%	0.736	S	S	*	*			trans	71.8	151.5	163	-78.9	59.9	0	0	0	119.2
1006	R	26.7	Very low	27.4	Very low	172 Å²	172	150.2 Å²	150.2	65%	0.649	74%	0.737	S	S	*	*			cis	-175.5	133.1	-22.7	-178.3	-177.9	-154.6	-172.3	13.2	113.3
1007	R	28.1	Very low	27.4	Very low	183 Å²	183	147.2 Å²	147.2	69%	0.691	73%	0.73	S	S	*	*			trans	61.6	143.4	160.4	-72.2	170.7	178.8	177.5	-5	118.6
1008	E	26.4	Very low	27.4	Very low	167 Å²	167	144.7 Å²	144.7	78%	0.78	73%	0.731	S	S	*	*			cis	93	148.3	27.1	-68.6	-178.3	126.8	0	0	116.9
1009	T	28.1	Very low	27.5	Very low	130 Å²	130	144.2 Å²	144.2	80%	0.798	73%	0.734	S	S	*	*			trans	73.2	129.3	175.7	60.1	0	0	0	0	117.2
1010	V	27.3	Very low	27.5	Very low	133 Å²	133	141.8 Å²	141.8	81%	0.806	74%	0.735	S	S	*	*			cis	105.3	141.7	11.6	-177.1	0	0	0	0	114.7
1011	I	26.9	Very low	27.6	Very low	141 Å²	141	139.3 Å²	139.3	72%	0.723	73%	0.734	S	S	*	*			trans	95	114.3	177.2	-52.9	-167.7	0	0	0	117
1012	D	25.6	Very low	27.8	Very low	142 Å²	142	141.1 Å²	141.1	76%	0.759	74%	0.743	S	S	*	*			trans	33.7	152.1	133.1	-43.3	-28	0	0	0	120.7
1013	D	25.8	Very low	27.7	Very low	157 Å²	157	141.5 Å²	141.5	84%	0.84	75%	0.749	S	S	*	*			cis	-164.8	172.8	45.8	-143.2	-27.3	0	0	0	114.3
1014	I	33.5	Very low	27.6	Very low	153 Å²	153	139.6 Å²	139.6	79%	0.785	75%	0.748	S	S	*	*			trans	-133.2	125.6	-178.4	-63.7	166	0	0	0	112
1015	P	40	Very low	27.7	Very low	98 Å²	98	137.2 Å²	137.2	64%	0.636	75%	0.748	S	S	*	*				-149.8	169.9	127.2	40.2	-24.4	0	0	0	113
1016	H	25.5	Very low	28.5	Very low	176 Å²	176	136.1 Å²	136.1	82%	0.815	75%	0.754	S	S	*	*			cis	-148.3	174.1	17.4	-80.7	-81.2	0	0	0	108.8
1017	S	26.4	Very low	28.3	Very low	95 Å²	95	134.3 Å²	134.3	66%	0.664	76%	0.761	S	S	*	*			cis	-176.1	-166.1	-31.8	69.3	0	0	0	0	108.8
1018	S	24.8	Very low	28.2	Very low	113 Å²	113	130.6 Å²	130.6	79%	0.79	76%	0.764	S	S	*	*			trans	71.9	138	176.3	78	0	0	0	0	117.3
1019	S	26.3	Very low	29	Very low	120 Å²	120	127.8 Å²	127.8	84%	0.839	76%	0.76	S	S	*	*			cis	-154.9	152.5	-16.9	43.6	0	0	0	0	110.3
1020	S	25.4	Very low	28.9	Very low	113 Å²	113	127.7 Å²	127.7	79%	0.79	76%	0.761	S	S	*	*			trans	-99.5	166.7	-170.8	46.7	0	0	0	0	113.9
1021	V	27.8	Very low	28.7	Very low	124 Å²	124	129.7 Å²	129.7	75%	0.752	76%	0.762	S	S	*	*			trans	179.9	128.9	133.5	144.6	0	0	0	0	113
1022	E	28	Very low	28.6	Very low	162 Å²	162	127.7 Å²	127.7	76%	0.757	76%	0.761	S	S	*	*			trans	42.3	116.1	146.9	-59	-169.4	115.9	0	0	126
1023	N	25.6	Very low	28.5	Very low	138 Å²	138	131 Å²	131	74%	0.738	76%	0.763	S	S	*	*				76.5	152.1	102.4	-147.8	4.4	0	0	0	122.6
1024	V	25.3	Very low	28.4	Very low	118 Å²	118	132.2 Å²	132.2	72%	0.715	76%	0.76	S	S	*	*			trans	74.6	142.8	164.1	-169.6	0	0	0	0	119.8
1025	S	32.4	Very low	27.8	Very low	104 Å²	104	129.6 Å²	129.6	73%	0.727	75%	0.751	S	S	*	*			trans	-126	156.3	158.3	-62	0	0	0	0	107.3
1026	P	43.6	Very low	27	Very low	119 Å²	119	131.7 Å²	131.7	77%	0.773	75%	0.753	S	S	*	*			cis	-146.7	-142.8	33.2	35.9	-10	0	0	0	114.1
1027	V	22.1	Very low	26.8	Very low	134 Å²	134	130.6 Å²	130.6	81%	0.812	75%	0.746	S	S	*	*			trans	94.9	140.1	161.2	-176.8	0	0	0	0	118.9
1028	S	25	Very low	26.7	Very low	106 Å²	106	132.3 Å²	132.3	74%	0.741	75%	0.746	S	S	*	*			trans	-131.3	173.1	167.5	11.1	0	0	0	0	108.6
1029	P	44.6	Very low	26.7	Very low	107 Å²	107	133.2 Å²	133.2	70%	0.695	74%	0.742	S	S	*	*			cis	-119.6	-145.3	-6.5	38.3	-19.5	0	0	0	110.7
1030	P	25.7	Very low	26.7	Very low	128 Å²	128	135.8 Å²	135.8	83%	0.831	74%	0.741	S	S	*	*				-140.2	172.7	109.9	39.4	-28.1	0	0	0	115.2
1031	E	23.3	Very low	26.8	Very low	175 Å²	175	134.1 Å²	134.1	82%	0.818	73%	0.726	S	S	*	*			trans	-104.5	170.4	-174	-54.8	-179.6	105.5	0	0	115.3
1032	S	24.3	Very low	26.7	Very low	100 Å²	100	134.3 Å²	134.3	70%	0.699	73%	0.727	S	S	*	*			trans	86.2	155.7	142.9	90.5	0	0	0	0	117.6
1033	R	23.8	Very low	26.6	Very low	211 Å²	211	131.4 Å²	131.4	80%	0.796	71%	0.713	S	S	*	*			cis	-167.6	162.3	11.1	-140.5	163.5	-177.2	173.3	2.6	112
1034	K	23	Very low	26.6	Very low	182 Å²	182	128.8 Å²	128.8	79%	0.791	69%	0.694	S	S	*	*			trans	74.8	150.7	155.9	-65.4	-166.4	177.5	-177.4	0	118
1035	V	22.1	Very low	26.6	Very low	99 Å²	99	126.6 Å²	126.6	60%	0.6	68%	0.676	S	S	*	*			cis	-162.7	144.6	-2	116.5	0	0	0	0	113.4
1036	Q	22.2	Very low	26.6	Very low	142 Å²	142	126.8 Å²	126.8	66%	0.664	67%	0.672	S	S	*	*			trans	32	166.5	148.5	-47.7	157.5	-72.3	0	0	121.8
1037	F	21.6	Very low	25.8	Very low	153 Å²	153	125.7 Å²	125.7	67%	0.671	67%	0.665	S	S	*	*			cis	-135.2	151.8	6	-89.5	-92.6	0	0	0	107.8
1038	I	23.3	Very low	26.2	Very low	131 Å²	131	125.4 Å²	125.4	67%	0.672	66%	0.664	S	S	*	*				59.1	131.2	72.4	-79.2	163.5	0	0	0	112.8
1039	D	26.1	Very low	26.5	Very low	132 Å²	132	126.6 Å²	126.6	71%	0.706	67%	0.672	S	S	*	*			cis	-149	-168.1	-10.4	-99.9	-17.7	0	0	0	107.6
1040	E	25.3	Very low	25.5	Very low	174 Å²	174	124.8 Å²	124.8	81%	0.813	67%	0.674	S	S	*	*			cis	-137.6	166.2	29.1	-80.1	-171.3	91	0	0	111.1
1041	V	28.1	Very low	25.6	Very low	77 Å²	77	123 Å²	123	47%	0.467	67%	0.67	S	S	.	*			cis	80.1	125.1	37	-173.9	0	0	0	0	111.5	Q1043	V1041-Q1043 HydrophobicContact CG1-CG 4.28Å
1042	V	26.4	Very low	25.7	Very low	128 Å²	128	121.5 Å²	121.5	78%	0.776	67%	0.667	S	S	*	*			cis	-135	137.2	42.4	-159.6	0	0	0	0	109.3
1043	Q	25.3	Very low	25.7	Very low	102 Å²	102	125 Å²	125	48%	0.477	67%	0.672	S	S	.	*			cis	79.9	149.5	41.9	-62.1	-179.6	-0.3	0	0	113.5	V1041	V1041-Q1043 HydrophobicContact CG1-CG 4.28Å
1044	Y	24.9	Very low	25.7	Very low	82 Å²	82	118.9 Å²	118.9	32%	0.322	67%	0.667	S	S	.	*			cis	-162.7	172.8	-2.4	-98	-23.1	0	0	0	108.6	L616 S617 N618	L616-Y1044 VanDerWaalsContact CD2-CB 3.45Å; L616-Y1044 HydrophobicContact CD2-CD2 4.32Å; L616-Y1044 HydrophobicContact CD2-CG 4.36Å; S617-Y1044 WeakPolarHBondContact OG-CD2 3.42Å; S617-Y1044 WeakPolarHBondContact OG-CE2 3.47Å; N618-Y1044 HydrophobicContact CB-CE1 3.6Å; N618-Y1044 HydrophobicContact CB-CE2 4.08Å; N618-Y1044 WeakPolarHBondContact CB-OH 3.5Å; N618-Y1044 WeakPolarHBondContact ND2-CE1 3.43Å; N618-Y1044 PolarHBondContact ND2-OH 3.21Å
1045	Q	25.2	Very low	25.7	Very low	73 Å²	73	119.3 Å²	119.3	34%	0.341	67%	0.669	S	S	.	*			cis	-172.6	-174.1	-28.8	-157	178.5	8.9	0	0	107.5	P615 N618	P615-Q1045 WeakPolarHBondContact CB-O 3.41Å; P615-Q1045 WeakPolarHBondContact CG-O 3.48Å; N618-Q1045 VanDerWaalsContact CB-OE1 3.3Å; N618-Q1045 VanDerWaalsContact CG-NE2 3.32Å; N618-Q1045 PolarHBondContact OD1-NE2 2.9Å
1046	T	32	Very low	25.9	Very low	107 Å²	107	123.6 Å²	123.6	66%	0.656	68%	0.68	S	S	*	*			trans	-115.5	167.6	158.4	51.1	0	0	0	0	110.7
1047	P	28.4	Very low	26	Very low	96 Å²	96	123.9 Å²	123.9	62%	0.623	69%	0.686	S	S	*	*			trans	-111.5	150.7	168.5	37	-28.2	0	0	0	114.1
1048	T	30.7	Very low	26.2	Very low	128 Å²	128	124 Å²	124	79%	0.785	69%	0.694	S	S	*	*			trans	-147.7	162.2	178.1	53.7	0	0	0	0	111.1
1049	S	30.2	Very low	26.3	Very low	131 Å²	131	124.4 Å²	124.4	92%	0.916	70%	0.702	S	S	*	*			trans	177.3	142	152.7	-81.6	0	0	0	0	110.6
1050	G	24.5	Very low	26.3	Very low	70 Å²	70	123.5 Å²	123.5	72%	0.722	70%	0.703	S	S	*	*			cis	170.1	163.7	-10.5	0	0	0	0	0	113.2
1051	A	26.6	Very low	26.4	Very low	91 Å²	91	121.7 Å²	121.7	75%	0.752	70%	0.704	S	S	*	*			trans	58.2	144.6	155.3	0	0	0	0	0	120.6
1052	N	26	Very low	26.4	Very low	143 Å²	143	125.4 Å²	125.4	77%	0.765	72%	0.72	S	S	*	*			cis	-164.8	168	-1.1	-113.3	-5.5	0	0	0	112.5
1053	H	24.6	Very low	26.3	Very low	172 Å²	172	126.7 Å²	126.7	80%	0.796	72%	0.723	S	S	*	*			trans	69.5	88.4	157.7	-82.2	-71.3	0	0	0	123.2
1054	A	24.3	Very low	26.3	Very low	83 Å²	83	126.6 Å²	126.6	69%	0.686	73%	0.733	S	S	*	*				53	138.9	115	0	0	0	0	0	125.2
1055	F	22.1	Very low	26.4	Very low	191 Å²	191	128.5 Å²	128.5	84%	0.838	76%	0.756	S	S	*	*			trans	87.2	108.2	161	-74.3	-69	0	0	0	121
1056	F	25.3	Very low	26.9	Very low	189 Å²	189	128.8 Å²	128.8	83%	0.829	78%	0.779	S	S	*	*			trans	63.2	153.2	159.7	-78.9	-79.3	0	0	0	120.4
1057	D	24.8	Very low	26.5	Very low	148 Å²	148	130.7 Å²	130.7	79%	0.791	78%	0.783	S	S	*	*	S	Bend	trans	63.6	155	-176.9	-61.4	-23.6	0	0	0	118.6
1058	D	26.3	Very low	26.8	Very low	156 Å²	156	132.9 Å²	132.9	83%	0.834	80%	0.795	S	S	*	*			trans	45.5	87.9	175.6	-66.7	-19.1	0	0	0	119.8
1059	V	25.7	Very low	26.7	Very low	140 Å²	140	128.7 Å²	128.7	85%	0.848	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-82.1	118.1	145.4	178.2	0	0	0	0	107.8	V1061	V1059-V1061 PolarHBondContact O-N 3.2Å
1060	P	24.7	Very low	26.6	Very low	113 Å²	113	129 Å²	129	73%	0.734	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-69.1	133	-172.6	26.4	-34.4	0	0	0	112.1	L1062	P1060-L1062 PolarHBondContact O-N 2.99Å
1061	V	28.6	Very low	26.9	Very low	136 Å²	136	132.6 Å²	132.6	82%	0.824	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-64.2	117.5	166.7	176.5	0	0	0	0	108.1	V1059 D1063	V1059-V1061 PolarHBondContact O-N 3.2Å; V1061-D1063 PolarHBondContact O-N 3.11Å; V1061-D1063 VanDerWaalsContact O-N 3.16Å
1062	L	27	Very low	27.3	Very low	155 Å²	155	133 Å²	133	81%	0.812	76%	0.762	S	S	*	*			trans	-64.7	114.1	170.4	-104.5	163.5	0	0	0	109.2	P1060 S1064	P1060-L1062 PolarHBondContact O-N 2.99Å; L1062-S1064 PolarHBondContact O-N 2.91Å; L1062-S1064 PolarHBondContact O-OG 3.47Å
1063	D	25.6	Very low	27.8	Very low	155 Å²	155	131.5 Å²	131.5	83%	0.829	75%	0.753	S	S	*	*			trans	-55.4	109.4	179.4	-123.6	-19.3	0	0	0	109.7	V1061	V1061-D1063 PolarHBondContact O-N 3.11Å; V1061-D1063 VanDerWaalsContact O-N 3.16Å
1064	S	25.6	Very low	28.1	Very low	100 Å²	100	131.2 Å²	131.2	70%	0.699	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-81.8	121.2	-178.6	-65.8	0	0	0	0	108.6	L1062 G1066	L1062-S1064 PolarHBondContact O-N 2.91Å; L1062-S1064 PolarHBondContact O-OG 3.47Å; S1064-G1066 PolarHBondContact O-N 3.35Å
1065	P	27	Very low	28.7	Very low	121 Å²	121	136 Å²	136	79%	0.786	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-57.9	119.9	175.6	24	-32.7	0	0	0	108.8	I1067	P1065-I1067 PolarHBondContact O-N 2.91Å
1066	G	35.4	Very low	29.4	Very low	80 Å²	80	128.5 Å²	128.5	83%	0.825	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-61.5	121.4	-157.7	0	0	0	0	0	114.5	S1064	S1064-G1066 PolarHBondContact O-N 3.35Å
1067	I	24.1	Very low	29.9	Very low	146 Å²	146	122.4 Å²	122.4	75%	0.749	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-99.8	119.2	170.3	-61	178.5	0	0	0	108.8	P1065 G1069	P1065-I1067 PolarHBondContact O-N 2.91Å; I1067-G1069 PolarHBondContact O-N 3.46Å
1068	V	33.1	Very low	30.6	Very low	143 Å²	143	121.3 Å²	121.3	87%	0.867	68%	0.68	S	S	*	*	S	Bend	trans	-72.2	116.9	172.8	177.3	0	0	0	0	108.6
1069	G	30.2	Very low	31.3	Very low	40 Å²	40	120 Å²	120	41%	0.412	67%	0.668	S	S	.	*			trans	173.8	-12.4	178.4	0	0	0	0	0	117.4	I1067 N1071	I1067-G1069 PolarHBondContact O-N 3.46Å; G1069-N1071 PolarHBondContact O-N 2.99Å
1070	T	28.1	Very low	32.5	Very low	137 Å²	137	121.4 Å²	121.4	84%	0.84	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	11.4	-171.2	50.7	0	0	0	0	116.6
1071	N	29.7	Very low	33.2	Very low	145 Å²	145	120.4 Å²	120.4	78%	0.775	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	31.7	-177.3	-77.6	-14.9	0	0	0	113.2	G1069 I1073	G1069-N1071 PolarHBondContact O-N 2.99Å; N1071-I1073 PolarHBondContact O-N 2.87Å
1072	E	35.2	Very low	34.1	Very low	101 Å²	101	118.3 Å²	118.3	47%	0.472	62%	0.624	S	S	.	*			trans	-72.2	77.8	167.6	-71.8	-167.5	175.4	0	0	110.8	Q364 Y1074	Q364-E1072 PolarHBondContact NE2-OE1 3.3Å; E1072-Y1074 PolarHBondContact O-N 2.91Å
1073	I	35.7	Very low	35.2	Very low	111 Å²	111	114.9 Å²	114.9	57%	0.569	61%	0.606	S	S	*	*			trans	-59.1	121.2	171.4	-62.5	173.6	0	0	0	108.7	N1071 R1075	N1071-I1073 PolarHBondContact O-N 2.87Å; I1073-R1075 PolarHBondContact O-N 2.83Å
1074	Y	31.6	Very low	36.5	Very low	166 Å²	166	111.5 Å²	111.5	65%	0.651	59%	0.585	S	S	*	*			trans	-62.6	99.4	177.6	-177	-91.8	0	0	0	110.9	E1072 D1076	E1072-Y1074 PolarHBondContact O-N 2.91Å; Y1074-D1076 PolarHBondContact O-N 2.95Å
1075	R	36.4	Very low	37.7	Very low	182 Å²	182	111 Å²	111	69%	0.687	57%	0.574	S	S	*	*			trans	-83.2	104	-179.7	-78.7	179	168.5	164	-2.1	111	E521 I1073 P1077	E521-R1075 IonicContact OE2-CZ 2.95Å; E521-R1075 IonicContact OE2-NE 3.75Å; E521-R1075 IonicContact OE2-NH2 3.95Å; E521-R1075 PolarHBondContact OE2-NH2 3.2Å; I1073-R1075 PolarHBondContact O-N 2.83Å; R1075-P1077 WeakPolarHBondContact O-CD 3.46Å
1076	D	37.3	Very low	38.7	Very low	34 Å²	34	109.6 Å²	109.6	18%	0.182	56%	0.557	C	S	.	*			trans	-57.1	120.7	-176.6	-168.5	-33.1	0	0	0	112.7	Y1074 R1078 Q1079 R1080	Y1074-D1076 PolarHBondContact O-N 2.95Å; D1076-R1078 PolarHBondContact O-N 3.12Å; D1076-R1078 WeakPolarHBondContact OD1-CA 3.36Å; D1076-R1078 WeakPolarHBondContact OD1-CB 3.43Å; D1076-R1078 VanDerWaalsContact OD1-CG 3.25Å; D1076-R1078 WeakPolarHBondContact OD1-CG 3.33Å; D1076-R1078 PolarHBondContact OD1-N 3.08Å; D1076-R1078 IonicContact OD1-NE 2.87Å; D1076-R1078 PolarHBondContact OD1-NE 2.71Å; D1076-R1078 VanDerWaalsContact OD1-NE 3.11Å; D1076-R1078 IonicContact OD2-CZ 2.72Å; D1076-R1078 IonicContact OD2-NE 2.95Å; D1076-R1078 PolarHBondContact OD2-NE 2.87Å; D1076-R1078 IonicContact OD2-NH2 3.55Å; D1076-R1078 PolarHBondContact OD2-NH2 3.43Å; D1076-Q1079 HydrophobicContact CB-CB 4.4Å; D1076-Q1079 WeakPolarHBondContact O-CB 3.46Å; D1076-Q1079 PolarHBondContact O-N 2.9Å; D1076-R1080 PolarHBondContact O-N 2.58Å
1077	P	35.8	Very low	39.2	Very low	62 Å²	62	110.2 Å²	110.2	40%	0.403	54%	0.541	S	S	.	.	H	α-helix	trans	-60	-15	176.3	-25.3	35.5	0	0	0	115.1	R1075 R1081	R1075-P1077 WeakPolarHBondContact O-CD 3.46Å; P1077-R1081 PolarHBondContact O-N 3.37Å
1078	R	38.9	Very low	40.2	Very low	125 Å²	125	110.8 Å²	110.8	47%	0.472	53%	0.534	S	S	.	.	H	α-helix	trans	-72.8	-38.4	170.9	-61.4	175.3	-74.3	-167.5	-1.3	111.2	D1076 R1081 L1082	D1076-R1078 PolarHBondContact O-N 3.12Å; D1076-R1078 WeakPolarHBondContact OD1-CA 3.36Å; D1076-R1078 WeakPolarHBondContact OD1-CB 3.43Å; D1076-R1078 VanDerWaalsContact OD1-CG 3.25Å; D1076-R1078 WeakPolarHBondContact OD1-CG 3.33Å; D1076-R1078 PolarHBondContact OD1-N 3.08Å; D1076-R1078 IonicContact OD1-NE 2.87Å; D1076-R1078 PolarHBondContact OD1-NE 2.71Å; D1076-R1078 VanDerWaalsContact OD1-NE 3.11Å; D1076-R1078 IonicContact OD2-CZ 2.72Å; D1076-R1078 IonicContact OD2-NE 2.95Å; D1076-R1078 PolarHBondContact OD2-NE 2.87Å; D1076-R1078 IonicContact OD2-NH2 3.55Å; D1076-R1078 PolarHBondContact OD2-NH2 3.43Å; R1078-R1081 CarbonylContact O-C 3.57Å; R1078-R1081 WeakPolarHBondContact O-CB 3.09Å; R1078-R1081 PolarHBondContact O-N 3.37Å; R1078-L1082 PolarHBondContact O-N 3.42Å
1079	Q	42.7	Very low	40.8	Very low	127 Å²	127	109.3 Å²	109.3	59%	0.593	52%	0.521	S	S	*	.	H	α-helix	trans	-71.9	-36.8	-177.8	-160	164.8	6.1	0	0	111.7	D1076 R1081 L1082 N1083	D1076-Q1079 HydrophobicContact CB-CB 4.4Å; D1076-Q1079 WeakPolarHBondContact O-CB 3.46Å; D1076-Q1079 PolarHBondContact O-N 2.9Å; Q1079-R1081 VanDerWaalsContact C-N 3.34Å; Q1079-R1081 PolarHBondContact O-N 3.27Å; Q1079-L1082 PolarHBondContact O-N 3.43Å; Q1079-N1083 PolarHBondContact O-N 3.21Å; Q1079-N1083 PolarHBondContact O-OD1 3.05Å
1080	R	49.1	Very low	41.3	Very low	171 Å²	171	115 Å²	115	65%	0.645	53%	0.53	S	S	*	.	H	α-helix	trans	-57.3	-45.2	166.6	-179.4	177.3	177.9	156.3	6.2	112	D1076 L1082 N1083 E1084	D1076-R1080 PolarHBondContact O-N 2.58Å; R1080-L1082 VanDerWaalsContact C-N 3.34Å; R1080-L1082 PolarHBondContact O-N 3.45Å; R1080-N1083 PolarHBondContact O-N 2.8Å; R1080-E1084 IonicContact NE-OE1 2.71Å; R1080-E1084 PolarHBondContact NE-OE1 3.36Å; R1080-E1084 VanDerWaalsContact NE-OE1 3.13Å; R1080-E1084 WeakPolarHBondContact O-CG 3.42Å; R1080-E1084 PolarHBondContact O-N 3.38Å
1081	R	41	Very low	41.9	Very low	92 Å²	92	112.9 Å²	112.9	35%	0.347	52%	0.521	S	S	.	.	H	α-helix	trans	-66.4	-34	178	-123.4	-179.6	-58.8	168.7	11	112.8	R683 P1077 R1078 Q1079 L1085	R683-R1081 PolarHBondContact O-NH1 3.04Å; R683-R1081 VanDerWaalsContact O-NH1 3.09Å; P1077-R1081 PolarHBondContact O-N 3.37Å; R1078-R1081 CarbonylContact O-C 3.57Å; R1078-R1081 WeakPolarHBondContact O-CB 3.09Å; R1078-R1081 PolarHBondContact O-N 3.37Å; Q1079-R1081 VanDerWaalsContact C-N 3.34Å; Q1079-R1081 PolarHBondContact O-N 3.27Å; R1081-L1085 WeakPolarHBondContact O-CG 3.44Å; R1081-L1085 PolarHBondContact O-N 3.24Å
1082	L	46.7	Very low	42.5	Very low	92 Å²	92	110.3 Å²	110.3	48%	0.482	52%	0.515	S	S	.	.	H	α-helix	trans	-67.2	-42.5	175.2	-172.9	63.1	0	0	0	111	R1078 Q1079 R1080 L1085 Q1086	R1078-L1082 PolarHBondContact O-N 3.42Å; Q1079-L1082 PolarHBondContact O-N 3.43Å; R1080-L1082 VanDerWaalsContact C-N 3.34Å; R1080-L1082 PolarHBondContact O-N 3.45Å; L1082-L1085 WeakPolarHBondContact O-CB 3.35Å; L1082-L1085 PolarHBondContact O-N 2.81Å; L1082-Q1086 WeakPolarHBondContact O-CG 3.43Å; L1082-Q1086 PolarHBondContact O-N 2.99Å
1083	N	50.2	Low	42.8	Very low	82 Å²	82	112.9 Å²	112.9	44%	0.439	53%	0.527	S	S	.	.	H	α-helix	trans	-66	-44.9	174	-66.6	7.4	0	0	0	111.4	Q1079 R1080 L1085 Q1086 D1087	Q1079-N1083 PolarHBondContact O-N 3.21Å; Q1079-N1083 PolarHBondContact O-OD1 3.05Å; R1080-N1083 PolarHBondContact O-N 2.8Å; N1083-L1085 PolarHBondContact O-N 2.67Å; N1083-L1085 VanDerWaalsContact O-N 3.14Å; N1083-Q1086 PolarHBondContact O-N 3.11Å; N1083-Q1086 VanDerWaalsContact O-N 3.08Å; N1083-D1087 PolarHBondContact O-N 3.41Å
1084	E	52.6	Low	43.1	Very low	85 Å²	85	115.1 Å²	115.1	40%	0.397	54%	0.54	S	S	.	.	H	α-helix	trans	-58.4	-25.5	173.6	-74.2	174.8	-165.6	0	0	113	R1080 R1088	R1080-E1084 IonicContact NE-OE1 2.71Å; R1080-E1084 PolarHBondContact NE-OE1 3.36Å; R1080-E1084 VanDerWaalsContact NE-OE1 3.13Å; R1080-E1084 WeakPolarHBondContact O-CG 3.42Å; R1080-E1084 PolarHBondContact O-N 3.38Å; E1084-R1088 WeakPolarHBondContact O-CB 3.17Å; E1084-R1088 WeakPolarHBondContact O-CG 3.39Å
1085	L	50.9	Low	43.5	Very low	88 Å²	88	109.7 Å²	109.7	46%	0.461	53%	0.534	S	S	.	.	H	α-helix	trans	-83.1	-41.2	171.8	-77.2	165.4	0	0	0	113	R1081 L1082 N1083 R1088 N1089	R1081-L1085 WeakPolarHBondContact O-CG 3.44Å; R1081-L1085 PolarHBondContact O-N 3.24Å; L1082-L1085 WeakPolarHBondContact O-CB 3.35Å; L1082-L1085 PolarHBondContact O-N 2.81Å; N1083-L1085 PolarHBondContact O-N 2.67Å; N1083-L1085 VanDerWaalsContact O-N 3.14Å; L1085-R1088 PolarHBondContact O-N 3.19Å; L1085-N1089 PolarHBondContact O-N 3.45Å
1086	Q	48	Very low	44	Very low	92 Å²	92	106.4 Å²	106.4	43%	0.43	55%	0.546	S	S	.	.	H	α-helix	trans	-66	-41.2	177.5	-73.9	-178.8	7.3	0	0	112.1	L1082 N1083 R1088 N1089 R1090	L1082-Q1086 WeakPolarHBondContact O-CG 3.43Å; L1082-Q1086 PolarHBondContact O-N 2.99Å; N1083-Q1086 PolarHBondContact O-N 3.11Å; N1083-Q1086 VanDerWaalsContact O-N 3.08Å; Q1086-R1088 VanDerWaalsContact C-N 3.35Å; Q1086-N1089 PolarHBondContact O-N 3.16Å; Q1086-R1090 WeakPolarHBondContact O-CG 3.46Å; Q1086-R1090 PolarHBondContact O-N 2.95Å
1087	D	45.8	Very low	44.1	Very low	93 Å²	93	108.8 Å²	108.8	50%	0.497	57%	0.571	S	S	.	*	H	α-helix	trans	-68.2	-35	176.2	-70	-28.3	0	0	0	111.7	N1083 R1090 S1091	N1083-D1087 PolarHBondContact O-N 3.41Å; D1087-R1090 PolarHBondContact O-N 2.99Å; D1087-S1091 WeakPolarHBondContact O-CB 3.34Å; D1087-S1091 PolarHBondContact O-N 3.19Å; D1087-S1091 PolarHBondContact O-OG 2.9Å
1088	R	46.1	Very low	44.6	Very low	159 Å²	159	112 Å²	112	60%	0.6	58%	0.584	S	S	*	*	H	α-helix	trans	-61.1	-45.2	169.4	-93.1	174.5	56.9	175.1	-5	112.1	E1084 L1085 Q1086 S1091 S1092	E1084-R1088 WeakPolarHBondContact O-CB 3.17Å; E1084-R1088 WeakPolarHBondContact O-CG 3.39Å; L1085-R1088 PolarHBondContact O-N 3.19Å; Q1086-R1088 VanDerWaalsContact C-N 3.35Å; R1088-S1091 PolarHBondContact O-N 3.2Å; R1088-S1091 PolarHBondContact O-OG 3.06Å; R1088-S1092 PolarHBondContact O-N 3.08Å
1089	N	44	Very low	45	Very low	111 Å²	111	107.6 Å²	107.6	59%	0.594	58%	0.578	S	S	*	*	H	α-helix	trans	-64.3	-46.3	177.1	-74.6	1.9	0	0	0	111.4	L1085 Q1086 S1091 S1092 E1093	L1085-N1089 PolarHBondContact O-N 3.45Å; Q1086-N1089 PolarHBondContact O-N 3.16Å; N1089-S1091 VanDerWaalsContact C-N 3.27Å; N1089-S1091 PolarHBondContact O-N 3.47Å; N1089-S1092 WeakPolarHBondContact O-CA 3.38Å; N1089-S1092 WeakPolarHBondContact O-CB 3.32Å; N1089-S1092 PolarHBondContact O-N 3.43Å; N1089-E1093 PolarHBondContact O-N 3.38Å
1090	R	42.3	Very low	45.5	Very low	160 Å²	160	104.9 Å²	104.9	60%	0.604	58%	0.577	S	S	*	*	H	α-helix	trans	-57.6	-37.3	174.9	-76.1	173.7	164.6	174.3	-4.7	113	Q1086 D1087 S1092 E1093	Q1086-R1090 WeakPolarHBondContact O-CG 3.46Å; Q1086-R1090 PolarHBondContact O-N 2.95Å; D1087-R1090 PolarHBondContact O-N 2.99Å; R1090-S1092 PolarHBondContact O-N 3.41Å; R1090-E1093 PolarHBondContact O-N 3.1Å
1091	S	39.5	Very low	45.5	Very low	92 Å²	92	106.2 Å²	106.2	64%	0.643	59%	0.588	S	S	*	*	H	α-helix	trans	-68.2	-15	175.1	75.3	0	0	0	0	114.1	D1087 R1088 N1089	D1087-S1091 WeakPolarHBondContact O-CB 3.34Å; D1087-S1091 PolarHBondContact O-N 3.19Å; D1087-S1091 PolarHBondContact O-OG 2.9Å; R1088-S1091 PolarHBondContact O-N 3.2Å; R1088-S1091 PolarHBondContact O-OG 3.06Å; N1089-S1091 VanDerWaalsContact C-N 3.27Å; N1089-S1091 PolarHBondContact O-N 3.47Å
1092	S	42.2	Very low	46	Very low	92 Å²	92	104.8 Å²	104.8	64%	0.643	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-6.4	178.5	-167.2	0	0	0	0	114.1	R1088 N1089 R1090	R1088-S1092 PolarHBondContact O-N 3.08Å; N1089-S1092 WeakPolarHBondContact O-CA 3.38Å; N1089-S1092 WeakPolarHBondContact O-CB 3.32Å; N1089-S1092 PolarHBondContact O-N 3.43Å; R1090-S1092 PolarHBondContact O-N 3.41Å
1093	E	41.8	Very low	46.7	Very low	155 Å²	155	102.2 Å²	102.2	72%	0.724	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-14.3	-177.4	-69.3	-179.6	139	0	0	113.5	N1089 R1090	N1089-E1093 PolarHBondContact O-N 3.38Å; R1090-E1093 PolarHBondContact O-N 3.1Å
1094	N	42.7	Very low	46.4	Very low	158 Å²	158	106.2 Å²	106.2	85%	0.845	60%	0.596	S	S	*	*	S	Bend	trans	-120.9	30.4	-174.8	-80	-49	0	0	0	114.2
1095	G	39.2	Very low	46.4	Very low	52 Å²	52	110.4 Å²	110.4	54%	0.536	61%	0.608	S	S	.	*	S	Bend	trans	-150	130.1	176.6	0	0	0	0	0	113	A1097	G1095-A1097 PolarHBondContact O-N 3.45Å; G1095-A1097 VanDerWaalsContact O-N 3.08Å
1096	A	46.7	Very low	46.8	Very low	113 Å²	113	109.8 Å²	109.8	93%	0.934	61%	0.605	S	S	*	*			trans	-67.7	105.5	175.7	0	0	0	0	0	110.2
1097	A	39.8	Very low	47.5	Very low	84 Å²	84	109.2 Å²	109.2	69%	0.694	60%	0.602	S	S	*	*			trans	-81.8	121.3	-173.7	0	0	0	0	0	112.4	G1095 G1099	G1095-A1097 PolarHBondContact O-N 3.45Å; G1095-A1097 VanDerWaalsContact O-N 3.08Å; A1097-G1099 PolarHBondContact O-N 3.02Å
1098	D	45.7	Very low	47.9	Very low	128 Å²	128	110.1 Å²	110.1	68%	0.684	60%	0.603	S	S	*	*			trans	-59.1	120	172.9	174	8.6	0	0	0	111.5	A1100	D1098-A1100 PolarHBondContact O-N 3.3Å; D1098-A1100 VanDerWaalsContact O-N 3.08Å; D1098-A1100 PolarHBondContact OD1-N 2.95Å; D1098-A1100 VanDerWaalsContact OD1-N 3.12Å
1099	G	48.6	Very low	48.4	Very low	34 Å²	34	109.5 Å²	109.5	35%	0.351	60%	0.6	S	S	.	*	G	3₁₀ helix	trans	-65.2	-10.7	-173.9	0	0	0	0	0	115.2	A1097 K1101 L1102 K1107	A1097-G1099 PolarHBondContact O-N 3.02Å; G1099-K1101 PolarHBondContact O-N 3.5Å; G1099-L1102 PolarHBondContact O-N 2.95Å; G1099-K1107 WeakPolarHBondContact O-CE 2.96Å; G1099-K1107 PolarHBondContact O-NZ 3.07Å
1100	A	52.1	Low	49.1	Very low	69 Å²	69	109.1 Å²	109.1	57%	0.57	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-52.1	-41.1	178.8	0	0	0	0	0	113	D1098 K1107	D1098-A1100 PolarHBondContact O-N 3.3Å; D1098-A1100 VanDerWaalsContact O-N 3.08Å; D1098-A1100 PolarHBondContact OD1-N 2.95Å; D1098-A1100 VanDerWaalsContact OD1-N 3.12Å; A1100-K1107 PolarHBondContact O-NZ 3Å
1101	K	48.5	Very low	49.5	Very low	200 Å²	200	108 Å²	108	87%	0.87	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-95.2	0.2	-170.4	-70	176.7	-178.6	169.7	0	116.1	G1099	G1099-K1101 PolarHBondContact O-N 3.5Å
1102	L	52.9	Low	50.2	Low	62 Å²	62	104.9 Å²	104.9	33%	0.325	58%	0.577	S	S	.	*			trans	-72.5	138.7	178.7	-69.3	171.8	0	0	0	112.2	G1099 D1106 K1107	G1099-L1102 PolarHBondContact O-N 2.95Å; L1102-D1106 HydrophobicContact CD2-CB 4.43Å; L1102-K1107 HydrophobicContact CB-CD 4.35Å; L1102-K1107 HydrophobicContact CB-CG 3.73Å; L1102-K1107 WeakPolarHBondContact O-CD 3.46Å; L1102-K1107 WeakPolarHBondContact O-CE 3.25Å; L1102-K1107 PolarHBondContact O-NZ 2.89Å
1103	G	60.5	Low	50.9	Low	38 Å²	38	109.8 Å²	109.8	39%	0.392	58%	0.582	S	S	.	*			trans	-72.5	162.9	175.3	0	0	0	0	0	112.9	R1105 D1106 K1107	G1103-R1105 PolarHBondContact O-N 3.2Å; G1103-D1106 PolarHBondContact O-N 2.9Å; G1103-K1107 PolarHBondContact O-N 3.22Å
1104	F	45.4	Very low	51.2	Low	165 Å²	165	109.9 Å²	109.9	72%	0.724	58%	0.582	S	S	*	*	H	α-helix	trans	-55.3	-47.8	-172.3	-176.3	-95	0	0	0	113.6	D1106 K1107 Q1108	F1104-D1106 VanDerWaalsContact C-N 3.27Å; F1104-D1106 PolarHBondContact O-N 3.03Å; F1104-K1107 PolarHBondContact O-N 3.19Å; F1104-Q1108 WeakPolarHBondContact O-CB 3.34Å; F1104-Q1108 PolarHBondContact O-N 3.16Å
1105	R	52.1	Low	51.7	Low	173 Å²	173	108.4 Å²	108.4	65%	0.653	57%	0.573	S	S	*	*	H	α-helix	trans	-62.9	-30.4	178	-90.6	174.5	58.5	177.8	-4.4	113.6	G1103 R1109	G1103-R1105 PolarHBondContact O-N 3.2Å; R1105-R1109 WeakPolarHBondContact O-CG 3.39Å; R1105-R1109 PolarHBondContact O-N 3.25Å; R1105-R1109 VanDerWaalsContact O-N 3.14Å
1106	D	58.8	Low	51.9	Low	75 Å²	75	108.9 Å²	108.9	40%	0.401	58%	0.578	S	S	.	*	H	α-helix	trans	-85.8	-35.6	-177.2	-53.8	-53.2	0	0	0	110.9	L1102 G1103 F1104 R1109 L1110	L1102-D1106 HydrophobicContact CD2-CB 4.43Å; G1103-D1106 PolarHBondContact O-N 2.9Å; F1104-D1106 VanDerWaalsContact C-N 3.27Å; F1104-D1106 PolarHBondContact O-N 3.03Å; D1106-R1109 PolarHBondContact O-N 3.39Å; D1106-R1109 IonicContact OD1-NH1 2.85Å; D1106-L1110 PolarHBondContact O-N 3.26Å
1107	K	62.5	Low	52.2	Low	81 Å²	81	109.5 Å²	109.5	35%	0.352	56%	0.562	S	S	.	*	H	α-helix	trans	-59	-45	165.2	-74.8	176	169	149.4	0	111.4	G1099 A1100 L1102 G1103 F1104 R1109 L1110 F1111	G1099-K1107 WeakPolarHBondContact O-CE 2.96Å; G1099-K1107 PolarHBondContact O-NZ 3.07Å; A1100-K1107 PolarHBondContact O-NZ 3Å; L1102-K1107 HydrophobicContact CB-CD 4.35Å; L1102-K1107 HydrophobicContact CB-CG 3.73Å; L1102-K1107 WeakPolarHBondContact O-CD 3.46Å; L1102-K1107 WeakPolarHBondContact O-CE 3.25Å; L1102-K1107 PolarHBondContact O-NZ 2.89Å; G1103-K1107 PolarHBondContact O-N 3.22Å; F1104-K1107 PolarHBondContact O-N 3.19Å; K1107-R1109 VanDerWaalsContact C-N 3.33Å; K1107-R1109 PolarHBondContact O-N 2.73Å; K1107-L1110 WeakPolarHBondContact O-CB 3.42Å; K1107-L1110 PolarHBondContact O-N 2.95Å; K1107-F1111 WeakPolarHBondContact O-CD2 3.37Å; K1107-F1111 PolarHBondContact O-N 3.23Å
1108	Q	53.5	Low	52.5	Low	111 Å²	111	112.4 Å²	112.4	52%	0.519	57%	0.566	S	S	.	*	H	α-helix	trans	-63.4	-36.6	178.5	-164.4	174.9	22.1	0	0	112.6	F1104 A1112	F1104-Q1108 WeakPolarHBondContact O-CB 3.34Å; F1104-Q1108 PolarHBondContact O-N 3.16Å; Q1108-A1112 PolarHBondContact O-N 3.31Å
1109	R	57.8	Low	52.5	Low	146 Å²	146	111 Å²	111	55%	0.551	56%	0.562	S	S	*	*	H	α-helix	trans	-68	-39.5	171.6	-78.6	167.7	159.2	-173.5	-12.8	113.1	R1105 D1106 K1107 F1111 A1112 R1113	R1105-R1109 WeakPolarHBondContact O-CG 3.39Å; R1105-R1109 PolarHBondContact O-N 3.25Å; R1105-R1109 VanDerWaalsContact O-N 3.14Å; D1106-R1109 PolarHBondContact O-N 3.39Å; D1106-R1109 IonicContact OD1-NH1 2.85Å; K1107-R1109 VanDerWaalsContact C-N 3.33Å; K1107-R1109 PolarHBondContact O-N 2.73Å; R1109-F1111 VanDerWaalsContact C-N 3.33Å; R1109-A1112 PolarHBondContact O-N 2.8Å; R1109-R1113 PolarHBondContact O-N 3.46Å
1110	L	59.1	Low	52.2	Low	104 Å²	104	112.6 Å²	112.6	55%	0.545	57%	0.572	S	S	.	*	H	α-helix	trans	-60.6	-44.6	177	-148.7	83.5	0	0	0	110.8	D1106 K1107 R1113 Q1114	D1106-L1110 PolarHBondContact O-N 3.26Å; K1107-L1110 WeakPolarHBondContact O-CB 3.42Å; K1107-L1110 PolarHBondContact O-N 2.95Å; L1110-R1113 PolarHBondContact O-N 2.84Å; L1110-Q1114 WeakPolarHBondContact O-CB 3.35Å; L1110-Q1114 PolarHBondContact O-N 3.08Å; L1110-Q1114 VanDerWaalsContact O-N 3.12Å
1111	F	49.8	Very low	51.7	Low	135 Å²	135	115.3 Å²	115.3	59%	0.592	58%	0.584	S	S	*	*	H	α-helix	trans	-62.6	-48.3	176.8	-95	-85.4	0	0	0	113.2	K1107 R1109 R1113 Q1114 I1115	K1107-F1111 WeakPolarHBondContact O-CD2 3.37Å; K1107-F1111 PolarHBondContact O-N 3.23Å; R1109-F1111 VanDerWaalsContact C-N 3.33Å; F1111-R1113 VanDerWaalsContact C-N 3.28Å; F1111-R1113 PolarHBondContact O-N 2.65Å; F1111-Q1114 PolarHBondContact O-N 3.42Å; F1111-Q1114 VanDerWaalsContact O-N 3.07Å; F1111-I1115 WeakPolarHBondContact O-CG1 3.45Å; F1111-I1115 PolarHBondContact O-N 2.75Å; F1111-I1115 VanDerWaalsContact O-N 3.14Å
1112	A	55	Low	51.6	Low	27 Å²	27	117.2 Å²	117.2	22%	0.223	59%	0.585	C	S	.	*	H	α-helix	trans	-56.9	-43.8	178.2	0	0	0	0	0	111.9	Q1108 R1109 Q1114 I1115 G1116 E1117	Q1108-A1112 PolarHBondContact O-N 3.31Å; R1109-A1112 PolarHBondContact O-N 2.8Å; A1112-Q1114 VanDerWaalsContact C-N 3.27Å; A1112-Q1114 PolarHBondContact O-N 3.4Å; A1112-I1115 PolarHBondContact O-N 2.67Å; A1112-I1115 VanDerWaalsContact O-N 3.16Å; A1112-G1116 PolarHBondContact O-N 2.81Å; A1112-G1116 VanDerWaalsContact O-N 3.14Å; A1112-E1117 PolarHBondContact O-N 3.06Å
1113	R	56	Low	50.9	Low	196 Å²	196	123 Å²	123	74%	0.74	61%	0.611	S	S	*	*	H	α-helix	trans	-67.9	-23.8	178.5	-147.7	178	-159.7	-173.4	3.6	113.8	R1109 L1110 F1111	R1109-R1113 PolarHBondContact O-N 3.46Å; L1110-R1113 PolarHBondContact O-N 2.84Å; F1111-R1113 VanDerWaalsContact C-N 3.28Å; F1111-R1113 PolarHBondContact O-N 2.65Å
1114	Q	48	Very low	50	Low	156 Å²	156	131.6 Å²	131.6	73%	0.729	63%	0.631	S	S	*	*	H	α-helix	trans	-85.9	-15.1	176.1	-167	167.4	4.9	0	0	113	L1110 F1111 A1112	L1110-Q1114 WeakPolarHBondContact O-CB 3.35Å; L1110-Q1114 PolarHBondContact O-N 3.08Å; L1110-Q1114 VanDerWaalsContact O-N 3.12Å; F1111-Q1114 PolarHBondContact O-N 3.42Å; F1111-Q1114 VanDerWaalsContact O-N 3.07Å; A1112-Q1114 VanDerWaalsContact C-N 3.27Å; A1112-Q1114 PolarHBondContact O-N 3.4Å
1115	I	53.2	Low	49.9	Very low	127 Å²	127	130.9 Å²	130.9	65%	0.651	63%	0.632	S	S	*	*	H	α-helix	trans	-95.2	-17.1	174.9	-65	167.5	0	0	0	111.5	F1111 A1112	F1111-I1115 WeakPolarHBondContact O-CG1 3.45Å; F1111-I1115 PolarHBondContact O-N 2.75Å; F1111-I1115 VanDerWaalsContact O-N 3.14Å; A1112-I1115 PolarHBondContact O-N 2.67Å; A1112-I1115 VanDerWaalsContact O-N 3.16Å
1116	G	43.2	Very low	49.4	Very low	63 Å²	63	130.6 Å²	130.6	65%	0.649	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	96.8	12.9	176.7	0	0	0	0	0	114.9	A1112	A1112-G1116 PolarHBondContact O-N 2.81Å; A1112-G1116 VanDerWaalsContact O-N 3.14Å
1117	E	52.8	Low	48.5	Very low	125 Å²	125	130.7 Å²	130.7	58%	0.584	64%	0.642	S	S	*	*			trans	-90.7	103.6	172	-71	-167.8	122.4	0	0	111	A1112 T1119	A1112-E1117 PolarHBondContact O-N 3.06Å; E1117-T1119 PolarHBondContact O-N 3.31Å
1118	D	47.5	Very low	47.4	Very low	145 Å²	145	130.7 Å²	130.7	78%	0.775	65%	0.652	S	S	*	*			trans	-75.4	1.2	176.6	-88.4	-43.6	0	0	0	114.2
1119	T	45.1	Very low	46.9	Very low	98 Å²	98	130.2 Å²	130.2	60%	0.601	66%	0.661	S	S	*	*			trans	-112	105.3	178.5	56.7	0	0	0	0	112.9	E1117	E1117-T1119 PolarHBondContact O-N 3.31Å
1120	A	41.8	Very low	46.2	Very low	68 Å²	68	126.5 Å²	126.5	56%	0.562	66%	0.662	S	S	*	*			trans	-65.3	138.6	168.1	0	0	0	0	0	111	R1122	A1120-R1122 PolarHBondContact O-N 3.21Å
1121	P	41.8	Very low	45.7	Very low	126 Å²	126	127.2 Å²	127.2	82%	0.818	66%	0.662	S	S	*	*	S	Bend	trans	-72.9	95.1	-167.3	27.6	-35.7	0	0	0	112.9
1122	R	46.3	Very low	45.6	Very low	240 Å²	240	126.4 Å²	126.4	91%	0.906	66%	0.655	S	S	*	*			trans	-141.7	-3.1	168.5	-112.1	-176.3	176.9	-161.7	-5.6	116.2	A1120	A1120-R1122 PolarHBondContact O-N 3.21Å
1123	Q	38.8	Very low	45	Very low	185 Å²	185	130.8 Å²	130.8	86%	0.864	67%	0.674	S	S	*	*	S	Bend	trans	-100.3	-3	-177.3	-91	177.2	-30	0	0	115.9
1124	R	42.3	Very low	44.7	Very low	217 Å²	217	127 Å²	127	82%	0.819	67%	0.667	S	S	*	*	S	Bend	trans	-98.8	45.8	173.7	-62.4	-164.2	-170.4	-171.8	5.6	113.5
1125	M	43.3	Very low	44.5	Very low	151 Å²	151	126.1 Å²	126.1	74%	0.744	66%	0.663	S	S	*	*			trans	-148.4	42.2	-179.4	-148.3	-173.6	86	0	0	113.8
1126	N	41.3	Very low	44	Very low	167 Å²	167	124 Å²	124	89%	0.893	66%	0.656	S	S	*	*			trans	-141.2	31.1	164.6	-93.4	-22.8	0	0	0	111
1127	E	38.9	Very low	43.8	Very low	77 Å²	77	127.6 Å²	127.6	36%	0.36	66%	0.66	S	S	.	*			trans	-80.5	132.4	166.9	-65.9	133.6	-150.5	0	0	109	R1132	E1127-R1132 IonicContact OE2-CZ 2.68Å; E1127-R1132 VanDerWaalsContact OE2-CZ 3.25Å; E1127-R1132 IonicContact OE2-NE 3.16Å; E1127-R1132 PolarHBondContact OE2-NE 2.67Å; E1127-R1132 IonicContact OE2-NH2 3.71Å; E1127-R1132 PolarHBondContact OE2-NH2 2.8Å
1128	S	40.8	Very low	43.4	Very low	80 Å²	80	128.6 Å²	128.6	56%	0.559	67%	0.669	S	S	*	*			trans	-72.3	142.6	177.3	-67.7	0	0	0	0	111	A1130 Q1131	S1128-A1130 PolarHBondContact O-N 2.91Å; S1128-Q1131 PolarHBondContact O-N 3.17Å
1129	S	41.3	Very low	42.9	Very low	101 Å²	101	125.9 Å²	125.9	71%	0.706	67%	0.666	S	S	*	*	H	α-helix	trans	-54.6	-23.6	-177.2	-54.4	0	0	0	0	114.8	L1133	S1129-L1133 PolarHBondContact O-N 3.02Å
1130	A	44.1	Very low	42.4	Very low	69 Å²	69	124.9 Å²	124.9	57%	0.57	67%	0.668	S	S	*	*	H	α-helix	trans	-67.3	-31.3	174.5	0	0	0	0	0	114	S1128	S1128-A1130 PolarHBondContact O-N 2.91Å
1131	Q	49.1	Very low	42	Very low	119 Å²	119	128 Å²	128	56%	0.556	68%	0.68	S	S	*	*	H	α-helix	trans	-76.3	-39.3	177.9	-73.6	175.3	-68.1	0	0	111.5	S1128 L1133 I1134 E1135	S1128-Q1131 PolarHBondContact O-N 3.17Å; Q1131-L1133 VanDerWaalsContact C-N 3.26Å; Q1131-L1133 PolarHBondContact O-N 2.85Å; Q1131-I1134 PolarHBondContact O-N 2.6Å; Q1131-I1134 VanDerWaalsContact O-N 3.09Å; Q1131-E1135 PolarHBondContact O-N 3.14Å
1132	R	47.5	Very low	42.4	Very low	118 Å²	118	127.1 Å²	127.1	45%	0.445	67%	0.674	S	S	.	*	H	α-helix	trans	-63	-30.9	178.8	-70.7	-174.9	175	-177.4	-2.8	113.4	E1127 T1136	E1127-R1132 IonicContact OE2-CZ 2.68Å; E1127-R1132 VanDerWaalsContact OE2-CZ 3.25Å; E1127-R1132 IonicContact OE2-NE 3.16Å; E1127-R1132 PolarHBondContact OE2-NE 2.67Å; E1127-R1132 IonicContact OE2-NH2 3.71Å; E1127-R1132 PolarHBondContact OE2-NH2 2.8Å; R1132-T1136 WeakPolarHBondContact O-CG2 3.22Å; R1132-T1136 PolarHBondContact O-N 2.93Å; R1132-T1136 PolarHBondContact O-OG1 2.91Å
1133	L	42.4	Very low	41.6	Very low	119 Å²	119	125.2 Å²	125.2	62%	0.623	68%	0.676	S	S	*	*	H	α-helix	trans	-69	-30.2	174.6	-83.4	162.9	0	0	0	113.5	S1129 Q1131 T1136	S1129-L1133 PolarHBondContact O-N 3.02Å; Q1131-L1133 VanDerWaalsContact C-N 3.26Å; Q1131-L1133 PolarHBondContact O-N 2.85Å; L1133-T1136 WeakPolarHBondContact CA-OG1 3.43Å; L1133-T1136 PolarHBondContact O-OG1 3.26Å
1134	I	48.8	Very low	41.3	Very low	117 Å²	117	125.8 Å²	125.8	60%	0.6	68%	0.675	S	S	*	*	H	α-helix	trans	-77.2	-34.5	178.9	-62.7	170.2	0	0	0	110.7	Q1131	Q1131-I1134 PolarHBondContact O-N 2.6Å; Q1131-I1134 VanDerWaalsContact O-N 3.09Å
1135	E	45.3	Very low	41.4	Very low	136 Å²	136	124.8 Å²	124.8	64%	0.636	70%	0.697	S	S	*	*	H	α-helix	trans	-74.9	-29.2	176.9	-66.1	-176.2	153.2	0	0	113	Q1131 D1137 I1138	Q1131-E1135 PolarHBondContact O-N 3.14Å; E1135-D1137 PolarHBondContact O-N 3.17Å; E1135-I1138 PolarHBondContact O-N 3.4Å
1136	T	41.7	Very low	41.3	Very low	83 Å²	83	123.5 Å²	123.5	51%	0.509	69%	0.694	S	S	.	*	H	α-helix	trans	-67.6	-32.4	178.4	41.5	0	0	0	0	114.2	R1132 L1133 I1138	R1132-T1136 WeakPolarHBondContact O-CG2 3.22Å; R1132-T1136 PolarHBondContact O-N 2.93Å; R1132-T1136 PolarHBondContact O-OG1 2.91Å; L1133-T1136 WeakPolarHBondContact CA-OG1 3.43Å; L1133-T1136 PolarHBondContact O-OG1 3.26Å; T1136-I1138 VanDerWaalsContact C-N 3.27Å; T1136-I1138 PolarHBondContact O-N 3.4Å
1137	D	39.8	Very low	41.3	Very low	138 Å²	138	121.2 Å²	121.2	74%	0.738	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-14.5	-177.5	-77.7	-3.7	0	0	0	113.4	E1135	E1135-D1137 PolarHBondContact O-N 3.17Å
1138	I	43	Very low	41.4	Very low	147 Å²	147	123.6 Å²	123.6	75%	0.754	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-17.8	-175.7	-63.3	176.3	0	0	0	112.4	E1135 T1136	E1135-I1138 PolarHBondContact O-N 3.4Å; T1136-I1138 VanDerWaalsContact C-N 3.27Å; T1136-I1138 PolarHBondContact O-N 3.4Å
1139	A	37.3	Very low	41.4	Very low	87 Å²	87	126.2 Å²	126.2	72%	0.719	71%	0.71	S	S	*	*	S	Bend	trans	-106.9	4.9	-172.4	0	0	0	0	0	115.3	T1141	A1139-T1141 PolarHBondContact O-N 3.35Å
1140	A	35.9	Very low	41.4	Very low	77 Å²	77	127.8 Å²	127.8	64%	0.636	71%	0.711	S	S	*	*			trans	-100.1	65.3	-167.8	0	0	0	0	0	114.9
1141	T	31.3	Very low	41.3	Very low	134 Å²	134	131.7 Å²	131.7	82%	0.822	72%	0.72	S	S	*	*			trans	-157.6	152.2	159.6	14.6	0	0	0	0	110.5	A1139	A1139-T1141 PolarHBondContact O-N 3.35Å
1142	P	51.5	Low	40.7	Very low	108 Å²	108	132.6 Å²	132.6	70%	0.701	73%	0.732	S	S	*	*				-133.8	169.5	-114.4	41.1	-26.7	0	0	0	115.9
1143	Q	28.7	Very low	40.2	Very low	200 Å²	200	133.7 Å²	133.7	94%	0.935	75%	0.754	S	S	*	*			trans	-153.4	156.3	132.3	-115.3	160.2	55.2	0	0	113.8
1144	K	34	Very low	40	Very low	196 Å²	196	134.9 Å²	134.9	85%	0.852	77%	0.765	S	S	*	*			trans	-99.4	171.2	-178.8	-82.7	-177.5	178.6	-178.4	0	110.2
1145	P	42.4	Very low	39.2	Very low	196 Å²	196	136.5 Å²	136.5	100%	1.273	78%	0.78	S	S	*	*			cis	-110.3	0	3.6	39.2	-29.7	0	0	0	115.5

Retrieved 1,145 of 1,145 residues in 173.2 ms (Link to these results)

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