A0A3Q0KPI7_SCHMA Loading...

DNA-directed RNA polymerase

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession A0A3Q0KPI7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,262 aa.

						>A0A3Q0KPI7_SCHMA|A0A3Q0KPI7
MFSHSHRLSYVKTALKYSTYAHGASPRLKNSVPLSPNSHKSEILTVKKENNPQIDELSLNAAILIKQSECVLTSKHIPPRFQKITKCCRQFWMANFPEWSRILEIELDKDPHFLDKHILEPGFPHSFSAQLSKNFHFNIKLAGFLDSSIASGEVFNFLRFCDSVFKESQTAKGFRRGHIIQTSMVYEKLANYYAKCGDWSGYIKLLERIKREGLLPSKNTYFYGFECLGKLMNKDGSQFPPSSHPQSISKNKAFNRLTPKSVIPMEKIGHEVENLIDAAEEEGHDLTQGLLGLSLEEGSLKNILTALLYVRPNINPNLNYFMHYSSSNISTHTKRTKEISHPAQKHLDSVKHERKNPYAGIFTDFGDISKAFKSQMHVEKMTEVTVSPVLSPFGQSETAPLTPELKKNLHNALIKERKHWHQVLLTAFNEQLKRLKIIHAKGKLTAYPFLKILPASNYADLMITGIDMLIVDSALQYTSSSIACLQLGRRVERACTVYRQEKIGYFKQLEKMYMTYATLFNEREMKFSNFRHMWLYALQSRMDQGPNTQHNWTSWPPTILFMIGEVLYSLIYEHLRFDLNGPLRVRHEFSKSDEKASSNVRRKDTPAIFEVLAEFPTEVTNEIKVHPTLINWYRDADYPPLSFHPCALPMLCPPVPWTNLDDAGYLISRNYATRLIRCTSVSSTNSTYHDDLDFDFKQIPSVLDALNCLASCPWKINNTILDYLIQVARSGGNENLSIPEWRSKPKRVDLRNNMTAKERRLAYRKYHSDRQDYGEFCSLWSTELYRLSIANQYRDKIIWFPHSMDFRGRVYPCPPHFNHTGSDVARSLIVFAKGLPLGPNGLDWLKIHLVNLTGLKKRCTHSERLEYADSIMNDIIDSAEKPFDGRRWWQNQAEPWQILACCMELKNALSHPSGPESYVSHFPVHQDGSCNGLQHYAALGRDLRGAKSVNLTSMNCPQDLYSDVVEIVEEQRRIDADGGNSIAKTLEGFVRRKVIKQSIMTTVYGVTSYGATEQIRKQLRDLPDFPKESLLPASRYLARLTLNSIEKVFTSSVDIQNWLCKIAKYISGDFQHRVSWQTPLGLPVIQPYIQSNKSSTDSDDYTVNFYSQLIDNNQKQIDLIKKDKIGDKLISLPKSSKQTSAFPPNFIHSLDSCHMMLTGLQCLKEGIVFASVHDCFWTHAATVDKLNRICREEFIALHSQPILSDFADYVKQRFGYTDKQINEFKNGKKREQALAFNRLLSNLPKRGSFDLSEVMKAEYFFS
					

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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	18.5	Very low	26.5	Very low	173 Å²	173	96 Å²	96	85%	0.852	47%	0.465	S	S	*	.				0	27	0	-83.5	-170.8	171.3	0	0	113.5	S3 T1001	M1-S3 PolarHBondContact O-N 3.49Å; M1-T1001 HydrophobicContact CE-CG2 3.66Å
2	F	25.8	Very low	26.6	Very low	146 Å²	146	97.9 Å²	97.9	64%	0.64	47%	0.47	S	S	*	.			trans	-82.8	92.1	164.5	-72.1	-93.3	0	0	0	108.5	Y811	F2-Y811 HydrophobicContact CD2-CE1 4.39Å; F2-Y811 HydrophobicContact CE2-CD1 4.09Å; F2-Y811 AromaticContact CE2-CE1 3.38Å; F2-Y811 HydrophobicContact CE2-CE1 3.38Å; F2-Y811 AromaticContact CE2-CZ 3.76Å; F2-Y811 HydrophobicContact CZ-CD1 4.36Å; F2-Y811 AromaticContact CZ-CE1 3.97Å; F2-Y811 HydrophobicContact CZ-CE1 3.97Å
3	S	22.4	Very low	26.7	Very low	75 Å²	75	94.9 Å²	94.9	52%	0.524	46%	0.461	S	S	.	.			trans	-160.3	96.6	161.2	69.1	0	0	0	0	108.1	M1 S5	M1-S3 PolarHBondContact O-N 3.49Å; S3-S5 PolarHBondContact O-N 3.24Å
4	H	29.7	Very low	26.6	Very low	133 Å²	133	92.8 Å²	92.8	62%	0.616	47%	0.467	S	S	*	.			trans	-82.6	81.2	-174.4	-79.6	54.5	0	0	0	110.8	V1103	H4-V1103 WeakPolarHBondContact CD2-CG1 3.32Å; H4-V1103 WeakPolarHBondContact NE2-CG1 3.45Å
5	S	23.3	Very low	26.5	Very low	50 Å²	50	93.1 Å²	93.1	35%	0.35	47%	0.469	S	S	.	.			trans	-94.5	71.2	165.4	60.3	0	0	0	0	110.1	S3	S3-S5 PolarHBondContact O-N 3.24Å
6	H	30	Very low	26.5	Very low	78 Å²	78	97.7 Å²	97.7	36%	0.361	49%	0.486	S	S	.	.			trans	-146.8	33.7	-179	-83.8	-64.7	0	0	0	115.7	L8	H6-L8 PolarHBondContact O-N 3.17Å
7	R	30.2	Very low	26.4	Very low	136 Å²	136	102.4 Å²	102.4	51%	0.513	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-10.3	170.6	-91.3	-172.1	-175.6	-155.7	7.2	114.6	G774 E775	R7-G774 PolarHBondContact NE-O 2.95Å; R7-G774 PolarHBondContact NH1-O 3.42Å; R7-G774 PolarHBondContact NH2-O 3.03Å; R7-E775 HydrophobicContact CB-CG 4.42Å
8	L	29.7	Very low	26.3	Very low	30 Å²	30	101.2 Å²	101.2	16%	0.157	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	19.1	-167.5	-127.1	83.7	0	0	0	120.3	H6 Y10 V11 Q771	H6-L8 PolarHBondContact O-N 3.17Å; L8-Y10 PolarHBondContact O-N 2.93Å; L8-V11 HydrophobicContact CD1-CG2 4.3Å; L8-V11 HydrophobicContact CD2-CB 4.01Å; L8-V11 HydrophobicContact CD2-CG1 4.48Å; L8-V11 HydrophobicContact CG-CB 4.07Å; L8-V11 HydrophobicContact CG-CG2 4.26Å; L8-Q771 HydrophobicContact CB-CG 3.97Å; L8-Q771 HydrophobicContact CD1-CB 3.37Å; L8-Q771 HydrophobicContact CD1-CG 3.49Å; L8-Q771 VanDerWaalsContact CD1-CG 3.49Å; L8-Q771 HydrophobicContact CD2-CB 3.99Å; L8-Q771 VanDerWaalsContact CD2-CD 3.5Å; L8-Q771 HydrophobicContact CD2-CG 4.15Å; L8-Q771 HydrophobicContact CG-CB 4.11Å; L8-Q771 HydrophobicContact CG-CG 3.99Å
9	S	25.8	Very low	26.2	Very low	33 Å²	33	101.2 Å²	101.2	23%	0.231	51%	0.508	C	S	.	.	H	α-helix	trans	-59.9	-33.3	162.3	-180	0	0	0	0	110.9	V11 K12 T13 D1100	S9-V11 PolarHBondContact O-N 3.24Å; S9-K12 PolarHBondContact O-N 3.45Å; S9-T13 PolarHBondContact O-N 2.72Å; S9-T13 PolarHBondContact O-OG1 3.17Å; S9-T13 VanDerWaalsContact O-OG1 3.13Å; S9-D1100 PolarHBondContact OG-OD2 2.93Å
10	Y	27.1	Very low	26.1	Very low	164 Å²	164	106.8 Å²	106.8	64%	0.643	52%	0.524	S	S	*	.	H	α-helix	trans	-62	-38	-175	-143.9	-98	0	0	0	114.3	L8 A14	L8-Y10 PolarHBondContact O-N 2.93Å; Y10-A14 VanDerWaalsContact O-CB 3.29Å; Y10-A14 WeakPolarHBondContact O-CB 3.47Å; Y10-A14 PolarHBondContact O-N 3.4Å
11	V	28.7	Very low	25.9	Very low	38 Å²	38	105.9 Å²	105.9	23%	0.23	53%	0.534	C	S	.	.	H	α-helix	trans	-88.2	-30.6	-178.1	179.2	0	0	0	0	111.9	L8 S9 T13 L15	L8-V11 HydrophobicContact CD1-CG2 4.3Å; L8-V11 HydrophobicContact CD2-CB 4.01Å; L8-V11 HydrophobicContact CD2-CG1 4.48Å; L8-V11 HydrophobicContact CG-CB 4.07Å; L8-V11 HydrophobicContact CG-CG2 4.26Å; S9-V11 PolarHBondContact O-N 3.24Å; V11-T13 VanDerWaalsContact C-N 3.34Å; V11-T13 PolarHBondContact O-N 2.8Å; V11-L15 HydrophobicContact CG1-CD1 3.57Å; V11-L15 HydrophobicContact CG1-CG 4.45Å; V11-L15 WeakPolarHBondContact O-CB 3.32Å; V11-L15 PolarHBondContact O-N 3.3Å
12	K	27.7	Very low	26	Very low	119 Å²	119	107 Å²	107	52%	0.517	54%	0.537	S	S	.	.	H	α-helix	trans	-68.5	-33.1	177	-84.3	-176.6	177.5	174.2	0	112.6	S9	S9-K12 PolarHBondContact O-N 3.45Å
13	T	27.8	Very low	25.9	Very low	59 Å²	59	103.7 Å²	103.7	36%	0.362	54%	0.544	S	S	.	.	H	α-helix	trans	-87.3	-42.1	-178.3	-47.2	0	0	0	0	111.2	S9 V11 L15 K16 Y17	S9-T13 PolarHBondContact O-N 2.72Å; S9-T13 PolarHBondContact O-OG1 3.17Å; S9-T13 VanDerWaalsContact O-OG1 3.13Å; V11-T13 VanDerWaalsContact C-N 3.34Å; V11-T13 PolarHBondContact O-N 2.8Å; T13-L15 PolarHBondContact O-N 3.38Å; T13-K16 PolarHBondContact O-N 2.93Å; T13-Y17 HydrophobicContact CG2-CD2 4.14Å; T13-Y17 HydrophobicContact CG2-CE2 3.95Å; T13-Y17 VanDerWaalsContact O-CD2 3.3Å; T13-Y17 WeakPolarHBondContact O-CD2 3.43Å
14	A	25.5	Very low	25.9	Very low	65 Å²	65	104.9 Å²	104.9	54%	0.537	56%	0.558	S	S	.	*	H	α-helix	trans	-64.6	-35.4	178.3	0	0	0	0	0	113.6	Y10	Y10-A14 VanDerWaalsContact O-CB 3.29Å; Y10-A14 WeakPolarHBondContact O-CB 3.47Å; Y10-A14 PolarHBondContact O-N 3.4Å
15	L	25.6	Very low	25.5	Very low	97 Å²	97	103.7 Å²	103.7	51%	0.508	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	-10.8	178.8	-77	168.3	0	0	0	114.7	V11 T13	V11-L15 HydrophobicContact CG1-CD1 3.57Å; V11-L15 HydrophobicContact CG1-CG 4.45Å; V11-L15 WeakPolarHBondContact O-CB 3.32Å; V11-L15 PolarHBondContact O-N 3.3Å; T13-L15 PolarHBondContact O-N 3.38Å
16	K	26	Very low	25.5	Very low	167 Å²	167	106.9 Å²	106.9	73%	0.726	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-20.1	174.3	-103.7	-175.2	174.4	-174.5	0	113.3	T13	T13-K16 PolarHBondContact O-N 2.93Å
17	Y	25.9	Very low	25.1	Very low	177 Å²	177	114 Å²	114	69%	0.694	61%	0.608	S	S	*	*	S	Bend	trans	-107.2	2.4	-176.7	-68.1	-70.9	0	0	0	114.7	T13 T19	T13-Y17 HydrophobicContact CG2-CD2 4.14Å; T13-Y17 HydrophobicContact CG2-CE2 3.95Å; T13-Y17 VanDerWaalsContact O-CD2 3.3Å; T13-Y17 WeakPolarHBondContact O-CD2 3.43Å; Y17-T19 PolarHBondContact O-N 2.89Å
18	S	24.1	Very low	24.9	Very low	82 Å²	82	115.6 Å²	115.6	57%	0.573	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	16.6	177.6	85.2	0	0	0	0	115
19	T	24.6	Very low	24.4	Very low	100 Å²	100	123 Å²	123	61%	0.613	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.3	9.7	175.9	51.7	0	0	0	0	114.5	Y17	Y17-T19 PolarHBondContact O-N 2.89Å
20	Y	23.3	Very low	24.5	Very low	214 Å²	214	128.7 Å²	128.7	84%	0.839	68%	0.684	S	S	*	*			trans	-127.7	73.7	171.3	-74.9	-80.6	0	0	0	110.6
21	A	22.2	Very low	24.2	Very low	87 Å²	87	126.7 Å²	126.7	72%	0.719	69%	0.694	S	S	*	*			trans	-116.5	76.8	169	0	0	0	0	0	109.1
22	H	21.1	Very low	24.2	Very low	198 Å²	198	131 Å²	131	92%	0.917	72%	0.72	S	S	*	*			trans	-148	121.4	160.9	-84.3	-37.6	0	0	0	108.9
23	G	22.6	Very low	24	Very low	76 Å²	76	130.9 Å²	130.9	78%	0.784	73%	0.732	S	S	*	*			trans	139.1	96.5	162.5	0	0	0	0	0	116.3
24	A	23.6	Very low	23.8	Very low	100 Å²	100	136.6 Å²	136.6	83%	0.826	76%	0.759	S	S	*	*			trans	64.9	103.4	143.2	0	0	0	0	0	120.5
25	S	20.5	Very low	23.8	Very low	108 Å²	108	138.5 Å²	138.5	76%	0.755	77%	0.768	S	S	*	*			trans	-63.7	133	153	169.2	0	0	0	0	111.7
26	P	24.7	Very low	23.9	Very low	116 Å²	116	139.5 Å²	139.5	75%	0.753	78%	0.781	S	S	*	*			trans	-97.6	111.4	155	17.9	-0.6	0	0	0	109.3	L28	P26-L28 PolarHBondContact O-N 3.36Å
27	R	19.6	Very low	23.9	Very low	229 Å²	229	138.4 Å²	138.4	86%	0.864	78%	0.783	S	S	*	*			trans	-60.9	119.5	161.1	-71.4	174.2	170.9	177.7	-2.1	108.8
28	L	26.2	Very low	23.9	Very low	169 Å²	169	135.3 Å²	135.3	89%	0.885	79%	0.787	S	S	*	*			trans	-124.9	84.3	157.7	-85.2	163.4	0	0	0	108.5	P26	P26-L28 PolarHBondContact O-N 3.36Å
29	K	20.5	Very low	24	Very low	184 Å²	184	139.8 Å²	139.8	80%	0.8	80%	0.799	S	S	*	*			trans	-70.6	129.4	150.7	-75.3	-179.7	173.5	-176.8	0	106.8
30	N	27.1	Very low	24.1	Very low	153 Å²	153	144.6 Å²	144.6	82%	0.818	81%	0.811	S	S	*	*			trans	179.5	87.5	135.1	-87.2	-11.3	0	0	0	108.8
31	S	21.5	Very low	24.3	Very low	123 Å²	123	140.1 Å²	140.1	86%	0.86	81%	0.811	S	S	*	*			trans	-74.5	119.4	155.2	49.3	0	0	0	0	108.5
32	V	27.3	Very low	24.6	Very low	127 Å²	127	144.2 Å²	144.2	77%	0.77	82%	0.816	S	S	*	*			trans	-115.8	131.4	163.3	179.1	0	0	0	0	107.3
33	P	24.2	Very low	24.9	Very low	118 Å²	118	142.7 Å²	142.7	77%	0.766	81%	0.812	S	S	*	*			trans	-83.7	139.3	-164.2	32.3	-31.5	0	0	0	112.3	S35	P33-S35 PolarHBondContact O-N 3.22Å
34	L	24.1	Very low	25.2	Very low	178 Å²	178	146.4 Å²	146.4	93%	0.932	81%	0.813	S	S	*	*			trans	-80.2	111.4	172	-77.3	155.6	0	0	0	109.4
35	S	26.2	Very low	25.3	Very low	105 Å²	105	147.8 Å²	147.8	73%	0.734	81%	0.812	S	S	*	*			trans	-74.8	142	168.3	59.2	0	0	0	0	111	P33	P33-S35 PolarHBondContact O-N 3.22Å
36	P	26.1	Very low	25.8	Very low	119 Å²	119	147.4 Å²	147.4	77%	0.773	81%	0.805	S	S	*	*			trans	-93	112.5	-176.3	34.2	-26.4	0	0	0	110.2
37	N	27	Very low	26	Very low	143 Å²	143	151.4 Å²	151.4	77%	0.765	81%	0.81	S	S	*	*			trans	-119.6	113.3	160.9	-90	-16.2	0	0	0	110.2	H39	N37-H39 PolarHBondContact O-N 2.85Å
38	S	24.6	Very low	26.6	Very low	113 Å²	113	150 Å²	150	79%	0.79	81%	0.811	S	S	*	*			trans	-63.1	115	167.4	50.3	0	0	0	0	110.3
39	H	27.3	Very low	27	Very low	176 Å²	176	150.4 Å²	150.4	82%	0.815	81%	0.808	S	S	*	*			trans	-113.7	118.9	159.8	-82.4	-69.1	0	0	0	110	N37	N37-H39 PolarHBondContact O-N 2.85Å
40	K	27.1	Very low	27.8	Very low	201 Å²	201	149.4 Å²	149.4	87%	0.874	81%	0.811	S	S	*	*			trans	-60	143.4	171.3	-74.2	173.3	173.7	175.2	0	109.3	E42	K40-E42 PolarHBondContact O-N 3.26Å
41	S	26.6	Very low	28.6	Very low	119 Å²	119	148.3 Å²	148.3	83%	0.832	81%	0.805	S	S	*	*			trans	-64.8	105.8	172.9	50.2	0	0	0	0	110.9
42	E	28.1	Very low	30	Very low	174 Å²	174	146 Å²	146	81%	0.813	79%	0.787	S	S	*	*			trans	-95.3	128.2	161.4	-82.5	-178.5	168.9	0	0	109.4	K40 L44	K40-E42 PolarHBondContact O-N 3.26Å; E42-L44 PolarHBondContact O-N 2.84Å
43	I	27.6	Very low	31.7	Very low	165 Å²	165	149.2 Å²	149.2	85%	0.846	79%	0.794	S	S	*	*			trans	-76	104.8	174.9	-65.2	167.8	0	0	0	106.2	T45	I43-T45 PolarHBondContact O-N 3.4Å
44	L	29	Very low	33.9	Very low	154 Å²	154	145.5 Å²	145.5	81%	0.806	77%	0.767	S	S	*	*			trans	-76.5	116.3	-176.1	-79.4	160.9	0	0	0	111	E42	E42-L44 PolarHBondContact O-N 2.84Å
45	T	26.8	Very low	36.7	Very low	129 Å²	129	140.6 Å²	140.6	79%	0.791	74%	0.742	S	S	*	*			trans	-91.9	120.3	163.7	26.6	0	0	0	0	108.1	I43 K47	I43-T45 PolarHBondContact O-N 3.4Å; T45-K47 PolarHBondContact O-N 3.34Å
46	V	29.7	Very low	39.4	Very low	101 Å²	101	141.6 Å²	141.6	61%	0.612	74%	0.735	S	S	*	*			trans	-73	105.1	-173.9	179.5	0	0	0	0	110.4
47	K	28.7	Very low	42.3	Very low	200 Å²	200	137.1 Å²	137.1	87%	0.87	70%	0.704	S	S	*	*			trans	-85.7	135	161	-79.8	-175	175.4	-179.4	0	109.5	T45 E49	T45-K47 PolarHBondContact O-N 3.34Å; K47-E49 PolarHBondContact O-N 3.12Å
48	K	32.7	Very low	45.1	Very low	200 Å²	200	131.3 Å²	131.3	87%	0.87	68%	0.675	S	S	*	*			trans	-66.8	105.2	175	-72	176.7	175.3	178.2	0	109.9
49	E	33.9	Very low	48.1	Very low	177 Å²	177	127.7 Å²	127.7	83%	0.827	65%	0.646	S	S	*	*			trans	-163.4	130	155.9	-111	164	-152.5	0	0	109.7	K47	K47-E49 PolarHBondContact O-N 3.12Å
50	N	39	Very low	51	Low	163 Å²	163	122 Å²	122	87%	0.872	62%	0.622	S	S	*	*	S	Bend	trans	11.6	111.9	169.3	-65.1	-24.3	0	0	0	118.8
51	N	43.5	Very low	53.9	Low	130 Å²	130	112.5 Å²	112.5	70%	0.695	58%	0.581	S	S	*	*	S	Bend	trans	69.5	75.8	173.1	-138.6	7.2	0	0	0	113	Q53	N51-Q53 PolarHBondContact O-N 3.02Å
52	P	50.8	Low	56.9	Low	74 Å²	74	106.8 Å²	106.8	48%	0.481	54%	0.541	S	S	.	.			trans	-58.4	114.8	175.3	25.7	-30.9	0	0	0	107.2	I54 I105	P52-I54 PolarHBondContact O-N 3.41Å; P52-I105 HydrophobicContact CG-CD1 4.26Å
53	Q	61.8	Low	59.8	Low	195 Å²	195	99 Å²	99	91%	0.911	51%	0.505	S	S	*	.			trans	-61.2	98.8	166.9	-78.5	-167.7	-12.1	0	0	106.2	N51 D55	N51-Q53 PolarHBondContact O-N 3.02Å; Q53-D55 PolarHBondContact O-N 3.43Å; Q53-D55 VanDerWaalsContact O-N 3.17Å
54	I	71.9	Confident	62.7	Low	39 Å²	39	91.7 Å²	91.7	20%	0.2	47%	0.467	C	S	.	.			trans	-63.3	117.8	174.2	-57.4	179.9	0	0	0	105.6	P52 L59 I102 I105 E106	P52-I54 PolarHBondContact O-N 3.41Å; I54-L59 HydrophobicContact CG2-CB 3.85Å; I54-I102 HydrophobicContact CD1-CG2 4.19Å; I54-I102 HydrophobicContact CG2-CD1 4.24Å; I54-I102 HydrophobicContact CG2-CG1 4.14Å; I54-I102 HydrophobicContact CG2-CG2 3.67Å; I54-I105 HydrophobicContact CD1-CB 4.22Å; I54-I105 HydrophobicContact CD1-CG2 3.89Å; I54-E106 HydrophobicContact CD1-CG 4.18Å; I54-E106 WeakPolarHBondContact CD1-OE1 3.44Å
55	D	82.6	Confident	65.6	Low	75 Å²	75	84.4 Å²	84.4	40%	0.401	43%	0.429	S	S	.	.			trans	-67.6	141.9	178.1	75.6	91.7	0	0	0	109.9	Q53 L57 S58 L59	Q53-D55 PolarHBondContact O-N 3.43Å; Q53-D55 VanDerWaalsContact O-N 3.17Å; D55-L57 PolarHBondContact O-N 3.04Å; D55-L57 VanDerWaalsContact O-N 3.1Å; D55-L57 WeakPolarHBondContact OD1-CA 3.44Å; D55-L57 VanDerWaalsContact OD1-CB 3.25Å; D55-L57 WeakPolarHBondContact OD1-CB 3.37Å; D55-L57 PolarHBondContact OD1-N 3.46Å; D55-S58 VanDerWaalsContact CG-OG 3.23Å; D55-S58 PolarHBondContact O-N 3.37Å; D55-S58 PolarHBondContact OD1-N 2.67Å; D55-S58 PolarHBondContact OD1-OG 3.08Å; D55-S58 WeakPolarHBondContact OD2-CB 3.24Å; D55-S58 PolarHBondContact OD2-OG 3.46Å; D55-L59 PolarHBondContact O-N 2.6Å; D55-L59 VanDerWaalsContact O-N 3.08Å
56	E	83.6	Confident	68.6	Low	127 Å²	127	80.9 Å²	80.9	59%	0.593	40%	0.403	S	S	*	.	H	α-helix	trans	-56.8	-31	-175.4	-164.8	-159.9	152.8	0	0	112.2	N60	E56-N60 VanDerWaalsContact O-CB 3.3Å; E56-N60 WeakPolarHBondContact O-CB 3.45Å; E56-N60 PolarHBondContact O-N 3.18Å; E56-N60 PolarHBondContact O-ND2 3.46Å
57	L	85.7	Confident	71.3	Confident	24 Å²	24	76.1 Å²	76.1	13%	0.126	37%	0.374	C	S	.	.	H	α-helix	trans	-69.5	-51.6	180	164.1	66.5	0	0	0	110.9	D55 L59 N60 A61 F96 A171 F174	D55-L57 PolarHBondContact O-N 3.04Å; D55-L57 VanDerWaalsContact O-N 3.1Å; D55-L57 WeakPolarHBondContact OD1-CA 3.44Å; D55-L57 VanDerWaalsContact OD1-CB 3.25Å; D55-L57 WeakPolarHBondContact OD1-CB 3.37Å; D55-L57 PolarHBondContact OD1-N 3.46Å; L57-L59 VanDerWaalsContact C-N 3.32Å; L57-L59 PolarHBondContact O-N 3.16Å; L57-N60 PolarHBondContact O-N 3.1Å; L57-A61 WeakPolarHBondContact O-CB 3.11Å; L57-A61 PolarHBondContact O-N 2.9Å; L57-F96 HydrophobicContact CD1-CE1 4.21Å; L57-F96 HydrophobicContact CD1-CZ 4Å; L57-F96 HydrophobicContact CD2-CE1 3.84Å; L57-F96 HydrophobicContact CD2-CZ 4.09Å; L57-F96 HydrophobicContact CG-CE1 3.74Å; L57-F96 HydrophobicContact CG-CZ 4.02Å; L57-A171 HydrophobicContact CB-CB 4.24Å; L57-A171 HydrophobicContact CD2-CB 4.35Å; L57-F174 HydrophobicContact CD1-CB 3.29Å; L57-F174 HydrophobicContact CD1-CD1 3.56Å; L57-F174 HydrophobicContact CD1-CD2 3.55Å; L57-F174 HydrophobicContact CD1-CE1 4.2Å; L57-F174 HydrophobicContact CD1-CE2 4.18Å; L57-F174 HydrophobicContact CD1-CG 3.18Å; L57-F174 HydrophobicContact CD1-CZ 4.45Å
58	S	85.4	Confident	74.2	Confident	21 Å²	21	66.6 Å²	66.6	15%	0.147	33%	0.333	C	S	.	.	H	α-helix	trans	-64.8	-36.9	180	-58.1	0	0	0	0	111.7	D55 A61 A62 I102	D55-S58 VanDerWaalsContact CG-OG 3.23Å; D55-S58 PolarHBondContact O-N 3.37Å; D55-S58 PolarHBondContact OD1-N 2.67Å; D55-S58 PolarHBondContact OD1-OG 3.08Å; D55-S58 WeakPolarHBondContact OD2-CB 3.24Å; D55-S58 PolarHBondContact OD2-OG 3.46Å; S58-A61 PolarHBondContact O-N 3.45Å; S58-A62 WeakPolarHBondContact O-CB 3.25Å; S58-A62 PolarHBondContact O-N 3.05Å; S58-I102 VanDerWaalsContact CB-CD1 3.45Å
59	L	88.4	Confident	76.7	Confident	37 Å²	37	60.7 Å²	60.7	19%	0.194	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-48.7	172.1	-177.8	58.1	0	0	0	111.9	I54 D55 L57 A61 A62 I63 I102 E106 F113	I54-L59 HydrophobicContact CG2-CB 3.85Å; D55-L59 PolarHBondContact O-N 2.6Å; D55-L59 VanDerWaalsContact O-N 3.08Å; L57-L59 VanDerWaalsContact C-N 3.32Å; L57-L59 PolarHBondContact O-N 3.16Å; L59-A61 VanDerWaalsContact C-N 3.32Å; L59-A61 PolarHBondContact O-N 2.83Å; L59-A62 PolarHBondContact O-N 3.21Å; L59-I63 HydrophobicContact CD1-CD1 4.34Å; L59-I63 HydrophobicContact CG-CD1 4.11Å; L59-I63 WeakPolarHBondContact O-CG1 3.3Å; L59-I63 PolarHBondContact O-N 3.07Å; L59-I102 HydrophobicContact CB-CG2 4.47Å; L59-I102 HydrophobicContact CD1-CG2 3.79Å; L59-E106 HydrophobicContact CD1-CG 3.84Å; L59-F113 HydrophobicContact CD1-CE1 4.46Å; L59-F113 HydrophobicContact CD1-CZ 3.98Å
60	N	87.9	Confident	78.9	Confident	58 Å²	58	54.5 Å²	54.5	31%	0.31	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-40.3	177.4	-78.4	-44.5	0	0	0	112	E56 L57 I63 L64 F174	E56-N60 VanDerWaalsContact O-CB 3.3Å; E56-N60 WeakPolarHBondContact O-CB 3.45Å; E56-N60 PolarHBondContact O-N 3.18Å; E56-N60 PolarHBondContact O-ND2 3.46Å; L57-N60 PolarHBondContact O-N 3.1Å; N60-I63 PolarHBondContact O-N 3.16Å; N60-L64 WeakPolarHBondContact O-CG 3.42Å; N60-L64 PolarHBondContact O-N 2.83Å; N60-F174 HydrophobicContact CB-CE1 3.72Å; N60-F174 HydrophobicContact CB-CZ 4.02Å
61	A	88.2	Confident	80.9	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-44.1	175.7	0	0	0	0	0	111.2	L57 S58 L59 I63 L64 I65 F96 F174	L57-A61 WeakPolarHBondContact O-CB 3.11Å; L57-A61 PolarHBondContact O-N 2.9Å; S58-A61 PolarHBondContact O-N 3.45Å; L59-A61 VanDerWaalsContact C-N 3.32Å; L59-A61 PolarHBondContact O-N 2.83Å; A61-I63 PolarHBondContact O-N 2.63Å; A61-L64 PolarHBondContact O-N 2.99Å; A61-I65 VanDerWaalsContact O-CG1 3.29Å; A61-I65 WeakPolarHBondContact O-CG1 3.38Å; A61-I65 PolarHBondContact O-N 2.85Å; A61-F96 HydrophobicContact CB-CB 4.2Å; A61-F96 HydrophobicContact CB-CD1 4.17Å; A61-F96 HydrophobicContact CB-CD2 3.75Å; A61-F96 HydrophobicContact CB-CE2 4.14Å; A61-F96 HydrophobicContact CB-CG 3.76Å; A61-F174 HydrophobicContact CB-CE2 3.77Å; A61-F174 HydrophobicContact CB-CZ 4.04Å
62	A	89.1	Confident	82.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-42.9	178	0	0	0	0	0	112.4	S58 L59 I65 K66 W99 I102 L103	S58-A62 WeakPolarHBondContact O-CB 3.25Å; S58-A62 PolarHBondContact O-N 3.05Å; L59-A62 PolarHBondContact O-N 3.21Å; A62-I65 PolarHBondContact O-N 3.5Å; A62-K66 PolarHBondContact O-N 3.17Å; A62-W99 HydrophobicContact CB-CB 3.78Å; A62-I102 HydrophobicContact CB-CB 4.44Å; A62-I102 HydrophobicContact CB-CG2 4.07Å; A62-L103 HydrophobicContact CB-CD1 4.37Å; A62-L103 HydrophobicContact CB-CD2 4.12Å; A62-L103 HydrophobicContact CB-CG 3.89Å
63	I	89.1	Confident	84	Confident	11 Å²	11	45.4 Å²	45.4	6%	0.056	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-47.9	173.4	-65.6	164.8	0	0	0	110.7	L59 N60 A61 I65 K66 Q67 F113 H117	L59-I63 HydrophobicContact CD1-CD1 4.34Å; L59-I63 HydrophobicContact CG-CD1 4.11Å; L59-I63 WeakPolarHBondContact O-CG1 3.3Å; L59-I63 PolarHBondContact O-N 3.07Å; N60-I63 PolarHBondContact O-N 3.16Å; A61-I63 PolarHBondContact O-N 2.63Å; I63-I65 PolarHBondContact O-N 2.92Å; I63-K66 PolarHBondContact O-N 3.16Å; I63-Q67 HydrophobicContact CG2-CG 4.27Å; I63-Q67 WeakPolarHBondContact O-CB 3.47Å; I63-Q67 VanDerWaalsContact O-CG 3.28Å; I63-Q67 WeakPolarHBondContact O-CG 3.41Å; I63-Q67 PolarHBondContact O-N 2.82Å; I63-F113 HydrophobicContact CD1-CE1 4.35Å; I63-F113 HydrophobicContact CD1-CZ 3.98Å; I63-F113 HydrophobicContact CG1-CE1 4.1Å; I63-F113 HydrophobicContact CG1-CZ 4.23Å; I63-H117 HydrophobicContact CG2-CB 3.99Å
64	L	89.2	Confident	84.5	Confident	10 Å²	10	38.2 Å²	38.2	5%	0.052	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-37.4	179.4	-70	179	0	0	0	112.8	N60 A61 Q67 S68 W92 F127 Q130 F174	N60-L64 WeakPolarHBondContact O-CG 3.42Å; N60-L64 PolarHBondContact O-N 2.83Å; A61-L64 PolarHBondContact O-N 2.99Å; L64-Q67 PolarHBondContact O-N 3.39Å; L64-S68 VanDerWaalsContact O-CB 3.32Å; L64-S68 WeakPolarHBondContact O-CB 3.13Å; L64-S68 PolarHBondContact O-N 3.15Å; L64-W92 HydrophobicContact CB-CE3 4.22Å; L64-W92 HydrophobicContact CB-CH2 4.19Å; L64-W92 HydrophobicContact CB-CZ3 4.02Å; L64-W92 HydrophobicContact CD1-CH2 3.97Å; L64-W92 HydrophobicContact CD1-CZ2 3.73Å; L64-F127 HydrophobicContact CB-CD2 4.44Å; L64-F127 HydrophobicContact CD2-CB 4.32Å; L64-F127 HydrophobicContact CD2-CD2 3.81Å; L64-Q130 HydrophobicContact CD1-CB 4.31Å; L64-Q130 HydrophobicContact CD1-CG 3.73Å; L64-Q130 HydrophobicContact CD2-CB 4.18Å; L64-Q130 HydrophobicContact CD2-CG 4.48Å; L64-F174 HydrophobicContact CD1-CE1 4.09Å; L64-F174 HydrophobicContact CD1-CE2 4.06Å; L64-F174 HydrophobicContact CD1-CZ 3.39Å; L64-F174 HydrophobicContact CG-CZ 4.39Å
65	I	90.4	Very high	84.3	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-48	174.7	-71.1	165.4	0	0	0	109.3	A61 A62 I63 S68 E69 W92 M93 W99	A61-I65 VanDerWaalsContact O-CG1 3.29Å; A61-I65 WeakPolarHBondContact O-CG1 3.38Å; A61-I65 PolarHBondContact O-N 2.85Å; A62-I65 PolarHBondContact O-N 3.5Å; I63-I65 PolarHBondContact O-N 2.92Å; I65-S68 WeakPolarHBondContact O-CB 3.28Å; I65-S68 PolarHBondContact O-N 3.16Å; I65-S68 PolarHBondContact O-OG 3.1Å; I65-E69 PolarHBondContact O-N 3.23Å; I65-E69 VanDerWaalsContact O-N 3.11Å; I65-W92 HydrophobicContact CD1-CB 3.81Å; I65-W92 HydrophobicContact CG1-CB 3.66Å; I65-W92 HydrophobicContact CG1-CE3 4.43Å; I65-M93 HydrophobicContact CD1-CG 4.13Å; I65-M93 HydrophobicContact CG1-CG 4.34Å; I65-M93 HydrophobicContact CG2-CG 4.1Å; I65-W99 HydrophobicContact CB-CD2 4.4Å; I65-W99 HydrophobicContact CB-CE3 4.24Å; I65-W99 HydrophobicContact CD1-CB 3.78Å; I65-W99 HydrophobicContact CD1-CD2 3.96Å; I65-W99 HydrophobicContact CD1-CG 3.57Å; I65-W99 HydrophobicContact CG2-CD2 3.85Å; I65-W99 HydrophobicContact CG2-CE3 3.75Å; I65-W99 HydrophobicContact CG2-CH2 4.02Å; I65-W99 HydrophobicContact CG2-CZ2 4.11Å; I65-W99 HydrophobicContact CG2-CZ3 3.84Å
66	K	88.3	Confident	83.6	Confident	55 Å²	55	42.7 Å²	42.7	24%	0.239	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-42.2	178.3	-165	71	-168.2	165.1	0	112.4	A62 I63 S68 E69 C70 L103 L114 I118	A62-K66 PolarHBondContact O-N 3.17Å; I63-K66 PolarHBondContact O-N 3.16Å; K66-S68 VanDerWaalsContact C-N 3.28Å; K66-S68 PolarHBondContact O-N 3.3Å; K66-E69 WeakPolarHBondContact CD-OE2 3.43Å; K66-E69 IonicContact NZ-OE1 2.68Å; K66-E69 IonicContact NZ-OE2 3.77Å; K66-E69 PolarHBondContact NZ-OE2 2.99Å; K66-E69 WeakPolarHBondContact O-CB 3.27Å; K66-E69 PolarHBondContact O-N 3.18Å; K66-C70 PolarHBondContact O-N 3.03Å; K66-L103 HydrophobicContact CB-CD1 3.94Å; K66-L103 HydrophobicContact CD-CD1 4.35Å; K66-L103 HydrophobicContact CG-CD1 4.38Å; K66-L114 HydrophobicContact CB-CD2 4.47Å; K66-L114 HydrophobicContact CD-CD1 4.48Å; K66-L114 HydrophobicContact CG-CD1 4.06Å; K66-L114 HydrophobicContact CG-CD2 4.1Å; K66-I118 HydrophobicContact CB-CD1 4.48Å; K66-I118 HydrophobicContact CG-CD1 3.69Å
67	Q	87.9	Confident	82.9	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-58.3	-41.4	173	-73.2	175.8	-27.1	0	0	111.3	I63 L64 E69 C70 V71 H117 I118 P124 S126 F127	I63-Q67 HydrophobicContact CG2-CG 4.27Å; I63-Q67 WeakPolarHBondContact O-CB 3.47Å; I63-Q67 VanDerWaalsContact O-CG 3.28Å; I63-Q67 WeakPolarHBondContact O-CG 3.41Å; I63-Q67 PolarHBondContact O-N 2.82Å; L64-Q67 PolarHBondContact O-N 3.39Å; Q67-E69 VanDerWaalsContact C-N 3.33Å; Q67-E69 PolarHBondContact O-N 3.44Å; Q67-C70 PolarHBondContact O-N 3.24Å; Q67-V71 VanDerWaalsContact O-CB 3.26Å; Q67-V71 WeakPolarHBondContact O-CB 3.37Å; Q67-V71 WeakPolarHBondContact O-CG2 3.32Å; Q67-V71 PolarHBondContact O-N 3.36Å; Q67-H117 PolarHBondContact NE2-O 3.12Å; Q67-I118 HydrophobicContact CG-CG1 4.37Å; Q67-P124 HydrophobicContact CB-CG 4.4Å; Q67-P124 HydrophobicContact CG-CB 4.17Å; Q67-P124 HydrophobicContact CG-CG 4.09Å; Q67-S126 PolarHBondContact NE2-OG 3.3Å; Q67-S126 PolarHBondContact OE1-OG 3.33Å; Q67-S126 VanDerWaalsContact OE1-OG 3.13Å; Q67-F127 HydrophobicContact CB-CB 4.09Å; Q67-F127 HydrophobicContact CB-CD2 3.9Å; Q67-F127 HydrophobicContact CB-CG 4.03Å
68	S	88.4	Confident	82.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-32.8	178.8	79.2	0	0	0	0	113.4	L64 I65 K66 V71 L72 R89	L64-S68 VanDerWaalsContact O-CB 3.32Å; L64-S68 WeakPolarHBondContact O-CB 3.13Å; L64-S68 PolarHBondContact O-N 3.15Å; I65-S68 WeakPolarHBondContact O-CB 3.28Å; I65-S68 PolarHBondContact O-N 3.16Å; I65-S68 PolarHBondContact O-OG 3.1Å; K66-S68 VanDerWaalsContact C-N 3.28Å; K66-S68 PolarHBondContact O-N 3.3Å; S68-V71 PolarHBondContact O-N 3.41Å; S68-L72 WeakPolarHBondContact O-CB 3.38Å; S68-L72 VanDerWaalsContact O-CG 3.26Å; S68-L72 WeakPolarHBondContact O-CG 3.22Å; S68-L72 PolarHBondContact O-N 2.92Å; S68-R89 VanDerWaalsContact OG-CD 3.3Å; S68-R89 WeakPolarHBondContact OG-CD 3.36Å; S68-R89 WeakPolarHBondContact OG-CG 3.42Å
69	E	86.4	Confident	81.3	Confident	76 Å²	76	40.1 Å²	40.1	36%	0.355	22%	0.216	S	C	.	.	H	α-helix	trans	-67.8	-47.1	176.3	-171.6	-170.1	169	0	0	111.3	I65 K66 Q67 V71 L72 T73	I65-E69 PolarHBondContact O-N 3.23Å; I65-E69 VanDerWaalsContact O-N 3.11Å; K66-E69 WeakPolarHBondContact CD-OE2 3.43Å; K66-E69 IonicContact NZ-OE1 2.68Å; K66-E69 IonicContact NZ-OE2 3.77Å; K66-E69 PolarHBondContact NZ-OE2 2.99Å; K66-E69 WeakPolarHBondContact O-CB 3.27Å; K66-E69 PolarHBondContact O-N 3.18Å; Q67-E69 VanDerWaalsContact C-N 3.33Å; Q67-E69 PolarHBondContact O-N 3.44Å; E69-V71 VanDerWaalsContact C-N 3.26Å; E69-V71 PolarHBondContact O-N 2.97Å; E69-L72 PolarHBondContact O-N 3.49Å; E69-T73 PolarHBondContact O-N 3.39Å; E69-T73 PolarHBondContact O-OG1 2.89Å; E69-T73 VanDerWaalsContact O-OG1 3.04Å
70	C	80	Confident	80.5	Confident	47 Å²	47	40.4 Å²	40.4	32%	0.318	22%	0.215	S	C	.	.	H	α-helix	trans	-61.9	-37.3	174.4	-63.3	0	0	0	0	112	K66 Q67 T73 S74 I118	K66-C70 PolarHBondContact O-N 3.03Å; Q67-C70 PolarHBondContact O-N 3.24Å; C70-T73 PolarHBondContact O-OG1 3.1Å; C70-S74 PolarHBondContact O-N 3.22Å; C70-I118 HydrophobicContact CB-CG2 4.31Å
71	V	79.5	Confident	79.9	Confident	6 Å²	6	37.7 Å²	37.7	4%	0.036	20%	0.2	C	C	.	.	H	α-helix	trans	-65.2	-53.7	175.6	155.7	0	0	0	0	110.1	Q67 S68 E69 T73 S74 I77 T85 F123 F127	Q67-V71 VanDerWaalsContact O-CB 3.26Å; Q67-V71 WeakPolarHBondContact O-CB 3.37Å; Q67-V71 WeakPolarHBondContact O-CG2 3.32Å; Q67-V71 PolarHBondContact O-N 3.36Å; S68-V71 PolarHBondContact O-N 3.41Å; E69-V71 VanDerWaalsContact C-N 3.26Å; E69-V71 PolarHBondContact O-N 2.97Å; V71-T73 PolarHBondContact O-N 2.87Å; V71-S74 WeakPolarHBondContact O-CB 3.33Å; V71-S74 PolarHBondContact O-N 3.25Å; V71-I77 HydrophobicContact CB-CD1 3.8Å; V71-I77 HydrophobicContact CG1-CD1 3.03Å; V71-I77 HydrophobicContact CG1-CG1 4.48Å; V71-I77 HydrophobicContact CG2-CD1 4.47Å; V71-I77 WeakPolarHBondContact O-CD1 3.37Å; V71-T85 HydrophobicContact CG1-CG2 3.92Å; V71-F123 HydrophobicContact CB-CZ 4.46Å; V71-F123 HydrophobicContact CG1-CE1 4.46Å; V71-F123 HydrophobicContact CG1-CE2 3.85Å; V71-F123 HydrophobicContact CG1-CZ 3.61Å; V71-F123 HydrophobicContact CG2-CD1 4.5Å; V71-F123 HydrophobicContact CG2-CD2 4.29Å; V71-F123 HydrophobicContact CG2-CE1 4.23Å; V71-F123 HydrophobicContact CG2-CE2 3.99Å; V71-F123 HydrophobicContact CG2-CZ 3.96Å; V71-F127 HydrophobicContact CB-CE1 4.1Å; V71-F127 HydrophobicContact CG1-CD1 4.45Å; V71-F127 HydrophobicContact CG1-CE1 3.66Å; V71-F127 HydrophobicContact CG1-CZ 4.32Å; V71-F127 HydrophobicContact CG2-CD1 3.83Å; V71-F127 HydrophobicContact CG2-CE1 3.82Å
72	L	83	Confident	79.5	Confident	56 Å²	56	41.1 Å²	41.1	29%	0.293	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-20.1	-178.2	-73.4	170.6	0	0	0	114.4	S68 E69 T85 K86	S68-L72 WeakPolarHBondContact O-CB 3.38Å; S68-L72 VanDerWaalsContact O-CG 3.26Å; S68-L72 WeakPolarHBondContact O-CG 3.22Å; S68-L72 PolarHBondContact O-N 2.92Å; E69-L72 PolarHBondContact O-N 3.49Å; L72-T85 HydrophobicContact CD1-CG2 4.09Å; L72-T85 HydrophobicContact CD2-CG2 3.74Å; L72-T85 HydrophobicContact CG-CG2 3.65Å; L72-K86 HydrophobicContact CD1-CG 4.29Å; L72-K86 HydrophobicContact CD2-CG 3.75Å
73	T	76.8	Confident	79	Confident	114 Å²	114	46.6 Å²	46.6	70%	0.699	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-9.2	173.8	50.8	0	0	0	0	113.5	E69 C70 V71	E69-T73 PolarHBondContact O-N 3.39Å; E69-T73 PolarHBondContact O-OG1 2.89Å; E69-T73 VanDerWaalsContact O-OG1 3.04Å; C70-T73 PolarHBondContact O-OG1 3.1Å; V71-T73 PolarHBondContact O-N 2.87Å
74	S	72.1	Confident	78.7	Confident	44 Å²	44	46.6 Å²	46.6	31%	0.308	24%	0.24	S	C	.	.			trans	-77.6	132.5	-179.7	179.3	0	0	0	0	113	C70 V71 H76	C70-S74 PolarHBondContact O-N 3.22Å; V71-S74 WeakPolarHBondContact O-CB 3.33Å; V71-S74 PolarHBondContact O-N 3.25Å; S74-H76 PolarHBondContact O-N 2.74Å; S74-H76 VanDerWaalsContact O-N 3.17Å; S74-H76 PolarHBondContact OG-N 3.42Å
75	K	67.3	Low	78.6	Confident	162 Å²	162	46.1 Å²	46.1	70%	0.704	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-10.1	175.8	-66.1	-176.6	178.8	179.9	0	114.1
76	H	67.9	Low	78.6	Confident	45 Å²	45	51.4 Å²	51.4	21%	0.208	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	5.7	-165.6	-56.2	-71.2	0	0	0	115	S74 P78 H1072 R1213 F1214	S74-H76 PolarHBondContact O-N 2.74Å; S74-H76 VanDerWaalsContact O-N 3.17Å; S74-H76 PolarHBondContact OG-N 3.42Å; H76-P78 WeakPolarHBondContact O-CD 3.47Å; H76-H1072 WeakPolarHBondContact CB-CE1 3.33Å; H76-H1072 WeakPolarHBondContact CB-NE2 3.33Å; H76-H1072 AromaticContact CD2-NE2 3.94Å; H76-H1072 AromaticContact CG-CE1 3.9Å; H76-H1072 AromaticContact CG-NE2 3.5Å; H76-H1072 AromaticContact ND1-NE2 3.93Å; H76-R1213 PolarHBondContact CE1-O 3.4Å; H76-F1214 AromaticContact CE1-CD1 3.6Å; H76-F1214 AromaticContact CE1-CE1 3.64Å; H76-F1214 AromaticContact ND1-CE1 3.7Å
77	I	68.9	Low	78.6	Confident	10 Å²	10	49.4 Å²	49.4	5%	0.051	25%	0.253	C	S	.	.			trans	-89.6	125.1	-175	-52.8	-165.8	0	0	0	111.3	V71 F81 Q82 F123	V71-I77 HydrophobicContact CB-CD1 3.8Å; V71-I77 HydrophobicContact CG1-CD1 3.03Å; V71-I77 HydrophobicContact CG1-CG1 4.48Å; V71-I77 HydrophobicContact CG2-CD1 4.47Å; V71-I77 WeakPolarHBondContact O-CD1 3.37Å; I77-F81 HydrophobicContact CG2-CB 3.73Å; I77-Q82 HydrophobicContact CB-CG 4.07Å; I77-Q82 HydrophobicContact CG2-CG 3.74Å; I77-Q82 PolarHBondContact O-NE2 3.4Å; I77-Q82 VanDerWaalsContact O-NE2 3.09Å; I77-F123 HydrophobicContact CD1-CE2 3.53Å; I77-F123 HydrophobicContact CD1-CZ 4.16Å; I77-F123 HydrophobicContact CG1-CE2 3.82Å; I77-F123 HydrophobicContact CG2-CE2 4.43Å
78	P	69.2	Low	78.7	Confident	33 Å²	33	49.3 Å²	49.3	21%	0.214	25%	0.253	C	S	.	.			trans	-55.6	135.5	171	-22.7	30.3	0	0	0	112.7	H76 R80 F81 Q82 D693	H76-P78 WeakPolarHBondContact O-CD 3.47Å; P78-R80 VanDerWaalsContact C-N 3.26Å; P78-R80 PolarHBondContact O-N 2.98Å; P78-R80 VanDerWaalsContact O-N 3.12Å; P78-F81 HydrophobicContact CB-CD2 3.68Å; P78-F81 HydrophobicContact CB-CE2 4.16Å; P78-F81 HydrophobicContact CG-CD2 3.62Å; P78-F81 HydrophobicContact CG-CE2 3.94Å; P78-F81 PolarHBondContact O-N 2.75Å; P78-Q82 PolarHBondContact O-N 3.14Å; P78-D693 VanDerWaalsContact C-OD2 3.27Å; P78-D693 WeakPolarHBondContact CA-OD2 3.48Å; P78-D693 WeakPolarHBondContact CB-OD2 3.14Å
79	P	70	Confident	78.9	Confident	75 Å²	75	53 Å²	53	49%	0.487	27%	0.267	S	S	.	.	H	α-helix	trans	-47.4	-41.1	-176.4	-30.2	33.2	0	0	0	115.2	F81 Q82 K83 D693	P79-F81 VanDerWaalsContact C-N 3.26Å; P79-F81 PolarHBondContact O-N 3.03Å; P79-Q82 WeakPolarHBondContact O-CB 3.45Å; P79-Q82 PolarHBondContact O-N 3.19Å; P79-Q82 VanDerWaalsContact O-N 3.11Å; P79-K83 PolarHBondContact O-N 3.39Å; P79-D693 VanDerWaalsContact CD-OD2 3.29Å; P79-D693 WeakPolarHBondContact CD-OD2 3.43Å; P79-D693 VanDerWaalsContact N-OD2 3.16Å
80	R	71.3	Confident	79.1	Confident	44 Å²	44	52.4 Å²	52.4	17%	0.166	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-36.4	178.5	71.9	-159.4	-179.2	121.2	6.7	113.2	P78 K83 I84 S686 D690 D693	P78-R80 VanDerWaalsContact C-N 3.26Å; P78-R80 PolarHBondContact O-N 2.98Å; P78-R80 VanDerWaalsContact O-N 3.12Å; R80-K83 PolarHBondContact O-N 2.8Å; R80-I84 WeakPolarHBondContact O-CG1 3.48Å; R80-I84 PolarHBondContact O-N 3.49Å; R80-S686 PolarHBondContact NH1-O 2.86Å; R80-S686 PolarHBondContact NH2-O 3Å; R80-D690 IonicContact CZ-OD1 3.39Å; R80-D690 VanDerWaalsContact CZ-OD1 3.22Å; R80-D690 IonicContact NE-OD1 3.49Å; R80-D690 PolarHBondContact NE-OD1 3.13Å; R80-D690 IonicContact NH2-OD1 3.11Å; R80-D690 PolarHBondContact NH2-OD1 3.41Å; R80-D690 IonicContact NH2-OD2 2.72Å; R80-D690 PolarHBondContact NH2-OD2 3.46Å; R80-D693 VanDerWaalsContact CD-OD2 3.27Å; R80-D693 WeakPolarHBondContact CD-OD2 3.22Å; R80-D693 WeakPolarHBondContact CG-OD2 3.34Å; R80-D693 PolarHBondContact N-OD1 2.93Å; R80-D693 PolarHBondContact N-OD2 3.01Å; R80-D693 VanDerWaalsContact N-OD2 3.14Å; R80-D693 IonicContact NE-OD2 3.23Å
81	F	74.7	Confident	79.7	Confident	1 Å²	1	50.3 Å²	50.3	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-77.5	-26.6	178.6	-62.8	-47.8	0	0	0	112.4	I77 P78 P79 K83 I84 T85 L1129 I1130	I77-F81 HydrophobicContact CG2-CB 3.73Å; P78-F81 HydrophobicContact CB-CD2 3.68Å; P78-F81 HydrophobicContact CB-CE2 4.16Å; P78-F81 HydrophobicContact CG-CD2 3.62Å; P78-F81 HydrophobicContact CG-CE2 3.94Å; P78-F81 PolarHBondContact O-N 2.75Å; P79-F81 VanDerWaalsContact C-N 3.26Å; P79-F81 PolarHBondContact O-N 3.03Å; F81-K83 VanDerWaalsContact C-N 3.33Å; F81-I84 HydrophobicContact CD1-CD1 4.19Å; F81-I84 PolarHBondContact O-N 3.19Å; F81-T85 WeakPolarHBondContact O-CB 3.47Å; F81-T85 PolarHBondContact O-N 2.96Å; F81-T85 PolarHBondContact O-OG1 3.48Å; F81-L1129 HydrophobicContact CD1-CD1 4.43Å; F81-L1129 HydrophobicContact CD1-CD2 3.29Å; F81-L1129 HydrophobicContact CD1-CG 3.81Å; F81-L1129 HydrophobicContact CE1-CD1 3.63Å; F81-L1129 HydrophobicContact CE1-CD2 3.27Å; F81-L1129 HydrophobicContact CE1-CG 3.2Å; F81-L1129 HydrophobicContact CG-CD2 4.18Å; F81-L1129 HydrophobicContact CZ-CD1 4.26Å; F81-L1129 HydrophobicContact CZ-CD2 4.09Å; F81-L1129 HydrophobicContact CZ-CG 3.65Å; F81-L1129 WeakPolarHBondContact CZ-O 3.46Å; F81-I1130 HydrophobicContact CD2-CG1 4.48Å; F81-I1130 HydrophobicContact CE2-CG1 4.27Å
82	Q	79.4	Confident	80.2	Confident	71 Å²	71	50.1 Å²	50.1	33%	0.332	25%	0.248	S	C	.	.	H	α-helix	trans	-62.2	-43.9	170.8	-58.3	-179.4	3.4	0	0	110.4	I77 P78 P79 T85 K86	I77-Q82 HydrophobicContact CB-CG 4.07Å; I77-Q82 HydrophobicContact CG2-CG 3.74Å; I77-Q82 PolarHBondContact O-NE2 3.4Å; I77-Q82 VanDerWaalsContact O-NE2 3.09Å; P78-Q82 PolarHBondContact O-N 3.14Å; P79-Q82 WeakPolarHBondContact O-CB 3.45Å; P79-Q82 PolarHBondContact O-N 3.19Å; P79-Q82 VanDerWaalsContact O-N 3.11Å; Q82-T85 PolarHBondContact O-N 3.1Å; Q82-K86 WeakPolarHBondContact O-CB 3.36Å; Q82-K86 VanDerWaalsContact O-CG 3.28Å; Q82-K86 WeakPolarHBondContact O-CG 3.35Å; Q82-K86 PolarHBondContact O-N 3.16Å
83	K	79.8	Confident	80.7	Confident	116 Å²	116	50.4 Å²	50.4	50%	0.504	25%	0.249	S	C	.	.	H	α-helix	trans	-61.4	-46.9	178	-167	177.7	-173.4	-177.8	0	112.2	P79 R80 F81 K86 C87 S183	P79-K83 PolarHBondContact O-N 3.39Å; R80-K83 PolarHBondContact O-N 2.8Å; F81-K83 VanDerWaalsContact C-N 3.33Å; K83-K86 PolarHBondContact O-N 2.85Å; K83-C87 PolarHBondContact O-N 3.13Å; K83-S183 VanDerWaalsContact CE-OG 3.3Å; K83-S183 WeakPolarHBondContact CE-OG 2.81Å
84	I	82.8	Confident	81.3	Confident	11 Å²	11	47.6 Å²	47.6	6%	0.056	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-44.8	177.4	-66.7	166.5	0	0	0	111	R80 F81 K86 C87 C88 L131 F135 Q181	R80-I84 WeakPolarHBondContact O-CG1 3.48Å; R80-I84 PolarHBondContact O-N 3.49Å; F81-I84 HydrophobicContact CD1-CD1 4.19Å; F81-I84 PolarHBondContact O-N 3.19Å; I84-K86 PolarHBondContact O-N 3.14Å; I84-C87 PolarHBondContact O-N 3.08Å; I84-C88 PolarHBondContact O-N 2.94Å; I84-C88 PolarHBondContact O-SG 3.05Å; I84-L131 HydrophobicContact CG2-CD2 4.16Å; I84-F135 HydrophobicContact CD1-CD2 3.47Å; I84-F135 VanDerWaalsContact CD1-CD2 3.47Å; I84-F135 HydrophobicContact CD1-CE2 3.98Å; I84-F135 HydrophobicContact CD1-CG 4.29Å; I84-Q181 VanDerWaalsContact CG2-NE2 3.31Å
85	T	87.4	Confident	82.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-45.8	179	-62.8	0	0	0	0	111.3	V71 L72 F81 Q82 C87 C88 R89 F127 L131	V71-T85 HydrophobicContact CG1-CG2 3.92Å; L72-T85 HydrophobicContact CD1-CG2 4.09Å; L72-T85 HydrophobicContact CD2-CG2 3.74Å; L72-T85 HydrophobicContact CG-CG2 3.65Å; F81-T85 WeakPolarHBondContact O-CB 3.47Å; F81-T85 PolarHBondContact O-N 2.96Å; F81-T85 PolarHBondContact O-OG1 3.48Å; Q82-T85 PolarHBondContact O-N 3.1Å; T85-C87 VanDerWaalsContact C-N 3.35Å; T85-C87 PolarHBondContact O-N 3.49Å; T85-C88 PolarHBondContact O-N 3.16Å; T85-R89 VanDerWaalsContact O-CB 3.31Å; T85-R89 WeakPolarHBondContact O-CB 3.49Å; T85-R89 PolarHBondContact O-N 3.28Å; T85-F127 HydrophobicContact CG2-CE1 4.43Å; T85-F127 HydrophobicContact CG2-CZ 3.89Å; T85-L131 WeakPolarHBondContact OG1-CD1 3.24Å
86	K	89.4	Confident	83.3	Confident	113 Å²	113	40.5 Å²	40.5	49%	0.491	20%	0.202	S	C	.	.	H	α-helix	trans	-57.7	-47.1	176.8	-74.1	178	-176.6	-174.4	0	111.4	L72 Q82 K83 I84 R89 Q90	L72-K86 HydrophobicContact CD1-CG 4.29Å; L72-K86 HydrophobicContact CD2-CG 3.75Å; Q82-K86 WeakPolarHBondContact O-CB 3.36Å; Q82-K86 VanDerWaalsContact O-CG 3.28Å; Q82-K86 WeakPolarHBondContact O-CG 3.35Å; Q82-K86 PolarHBondContact O-N 3.16Å; K83-K86 PolarHBondContact O-N 2.85Å; I84-K86 PolarHBondContact O-N 3.14Å; K86-R89 PolarHBondContact O-N 3.33Å; K86-Q90 WeakPolarHBondContact O-CB 3.49Å; K86-Q90 VanDerWaalsContact O-CG 3.28Å; K86-Q90 WeakPolarHBondContact O-CG 3.15Å; K86-Q90 PolarHBondContact O-N 2.93Å
87	C	88.9	Confident	84.2	Confident	12 Å²	12	42.8 Å²	42.8	8%	0.081	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-46	178.6	-176.7	0	0	0	0	112.4	K83 I84 T85 Q90 F91	K83-C87 PolarHBondContact O-N 3.13Å; I84-C87 PolarHBondContact O-N 3.08Å; T85-C87 VanDerWaalsContact C-N 3.35Å; T85-C87 PolarHBondContact O-N 3.49Å; C87-Q90 PolarHBondContact O-N 3.21Å; C87-F91 PolarHBondContact O-N 3.08Å; C87-F91 VanDerWaalsContact O-N 3.11Å
88	C	90.5	Very high	85.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.7	-43.1	179.1	-63.9	0	0	0	0	111.6	I84 T85 F91 W92 L131	I84-C88 PolarHBondContact O-N 2.94Å; I84-C88 PolarHBondContact O-SG 3.05Å; T85-C88 PolarHBondContact O-N 3.16Å; C88-F91 PolarHBondContact O-N 3.48Å; C88-W92 HydrophobicContact CB-CD2 4.44Å; C88-W92 HydrophobicContact CB-CE3 4.11Å; C88-W92 HydrophobicContact CB-CH2 3.59Å; C88-W92 HydrophobicContact CB-CZ2 3.96Å; C88-W92 HydrophobicContact CB-CZ3 3.66Å; C88-W92 VanDerWaalsContact O-CE3 3.32Å; C88-W92 PolarHBondContact O-N 2.81Å; C88-L131 HydrophobicContact CB-CD2 4.1Å
89	R	91.4	Very high	86	Confident	78 Å²	78	47.9 Å²	47.9	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-60.3	-46.6	177	-179.3	-178.9	169.9	-90.9	1.8	111.8	S68 T85 K86 F91 W92 M93	S68-R89 VanDerWaalsContact OG-CD 3.3Å; S68-R89 WeakPolarHBondContact OG-CD 3.36Å; S68-R89 WeakPolarHBondContact OG-CG 3.42Å; T85-R89 VanDerWaalsContact O-CB 3.31Å; T85-R89 WeakPolarHBondContact O-CB 3.49Å; T85-R89 PolarHBondContact O-N 3.28Å; K86-R89 PolarHBondContact O-N 3.33Å; R89-F91 PolarHBondContact O-N 3.43Å; R89-W92 PolarHBondContact O-N 2.98Å; R89-M93 HydrophobicContact CG-CG 4.32Å; R89-M93 HydrophobicContact CG-SD 3.86Å; R89-M93 WeakPolarHBondContact O-CB 3.43Å; R89-M93 VanDerWaalsContact O-CG 3.3Å; R89-M93 WeakPolarHBondContact O-CG 3.43Å; R89-M93 PolarHBondContact O-N 3.27Å
90	Q	90.9	Very high	86.8	Confident	62 Å²	62	46.7 Å²	46.7	29%	0.29	23%	0.233	S	C	.	.	H	α-helix	trans	-55.9	-50.5	176.1	-76.9	170.5	-15.5	0	0	111.3	K86 C87 W92 M93 A94 G213	K86-Q90 WeakPolarHBondContact O-CB 3.49Å; K86-Q90 VanDerWaalsContact O-CG 3.28Å; K86-Q90 WeakPolarHBondContact O-CG 3.15Å; K86-Q90 PolarHBondContact O-N 2.93Å; C87-Q90 PolarHBondContact O-N 3.21Å; Q90-W92 PolarHBondContact O-N 3.29Å; Q90-M93 PolarHBondContact O-N 3.36Å; Q90-A94 WeakPolarHBondContact O-CB 3.45Å; Q90-A94 PolarHBondContact O-N 3.1Å; Q90-A94 VanDerWaalsContact O-N 3.1Å; Q90-G213 CarbonylContact C-O 3.6Å
91	F	92.1	Very high	87.7	Confident	3 Å²	3	51.4 Å²	51.4	1%	0.013	25%	0.251	C	S	.	.	H	α-helix	trans	-57.5	-49.3	177.7	179.4	-91.1	0	0	0	112.4	C87 C88 R89 A94 N95 F165 S168 I179 E212 L214	C87-F91 PolarHBondContact O-N 3.08Å; C87-F91 VanDerWaalsContact O-N 3.11Å; C88-F91 PolarHBondContact O-N 3.48Å; R89-F91 PolarHBondContact O-N 3.43Å; F91-A94 PolarHBondContact O-N 3.38Å; F91-N95 HydrophobicContact CE1-CB 4.45Å; F91-N95 WeakPolarHBondContact CE2-ND2 3.42Å; F91-N95 HydrophobicContact CZ-CB 4.47Å; F91-N95 PolarHBondContact O-N 3.28Å; F91-N95 PolarHBondContact O-ND2 3.28Å; F91-F165 HydrophobicContact CE2-CD2 4.29Å; F91-F165 HydrophobicContact CE2-CE2 4.13Å; F91-S168 WeakPolarHBondContact CZ-OG 3.48Å; F91-I179 HydrophobicContact CB-CG2 3.83Å; F91-I179 HydrophobicContact CD1-CB 4.42Å; F91-I179 HydrophobicContact CD1-CD1 3.61Å; F91-I179 HydrophobicContact CD1-CG1 3.71Å; F91-I179 HydrophobicContact CD1-CG2 3.88Å; F91-I179 HydrophobicContact CD2-CG2 3.65Å; F91-I179 HydrophobicContact CE1-CD1 4.17Å; F91-I179 HydrophobicContact CE1-CG1 3.87Å; F91-I179 HydrophobicContact CE1-CG2 4.42Å; F91-I179 HydrophobicContact CE2-CG2 4.21Å; F91-I179 HydrophobicContact CG-CB 4.46Å; F91-I179 HydrophobicContact CG-CD1 4.21Å; F91-I179 HydrophobicContact CG-CG1 4.24Å; F91-I179 HydrophobicContact CG-CG2 3.47Å; F91-I179 VanDerWaalsContact CG-CG2 3.47Å; F91-I179 HydrophobicContact CZ-CG1 4.49Å; F91-E212 VanDerWaalsContact CD2-O 3.29Å; F91-E212 WeakPolarHBondContact CD2-O 3.45Å; F91-L214 HydrophobicContact CB-CD2 3.94Å
92	W	91.3	Very high	88.3	Confident	2 Å²	2	52 Å²	52	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-65.3	-42.5	-178.3	-65.4	-42.7	0	0	0	112.3	L64 I65 C88 R89 Q90 A94 N95 F96 F127 Q130 L131 F174 I179	L64-W92 HydrophobicContact CB-CE3 4.22Å; L64-W92 HydrophobicContact CB-CH2 4.19Å; L64-W92 HydrophobicContact CB-CZ3 4.02Å; L64-W92 HydrophobicContact CD1-CH2 3.97Å; L64-W92 HydrophobicContact CD1-CZ2 3.73Å; I65-W92 HydrophobicContact CD1-CB 3.81Å; I65-W92 HydrophobicContact CG1-CB 3.66Å; I65-W92 HydrophobicContact CG1-CE3 4.43Å; C88-W92 HydrophobicContact CB-CD2 4.44Å; C88-W92 HydrophobicContact CB-CE3 4.11Å; C88-W92 HydrophobicContact CB-CH2 3.59Å; C88-W92 HydrophobicContact CB-CZ2 3.96Å; C88-W92 HydrophobicContact CB-CZ3 3.66Å; C88-W92 VanDerWaalsContact O-CE3 3.32Å; C88-W92 PolarHBondContact O-N 2.81Å; R89-W92 PolarHBondContact O-N 2.98Å; Q90-W92 PolarHBondContact O-N 3.29Å; W92-A94 VanDerWaalsContact C-N 3.29Å; W92-A94 PolarHBondContact O-N 3.38Å; W92-N95 PolarHBondContact O-N 3.04Å; W92-F96 WeakPolarHBondContact O-CB 3.48Å; W92-F96 WeakPolarHBondContact O-CD2 3.39Å; W92-F96 PolarHBondContact O-N 3.34Å; W92-F127 HydrophobicContact CH2-CE2 4.09Å; W92-F127 AromaticContact CZ3-CE2 3.86Å; W92-F127 HydrophobicContact CZ3-CE2 3.86Å; W92-Q130 HydrophobicContact CH2-CG 4.4Å; W92-Q130 HydrophobicContact CZ2-CG 4Å; W92-L131 HydrophobicContact CH2-CD2 4.31Å; W92-F174 AromaticContact CD1-CE2 3.95Å; W92-F174 AromaticContact NE1-CE2 3.64Å; W92-I179 HydrophobicContact CZ2-CD1 4.14Å
93	M	91.9	Very high	88.6	Confident	63 Å²	63	49 Å²	49	31%	0.31	24%	0.24	S	C	.	.	H	α-helix	trans	-62.4	-37	178.3	-72.3	-179.9	71.1	0	0	112.4	I65 R89 Q90 W99	I65-M93 HydrophobicContact CD1-CG 4.13Å; I65-M93 HydrophobicContact CG1-CG 4.34Å; I65-M93 HydrophobicContact CG2-CG 4.1Å; R89-M93 HydrophobicContact CG-CG 4.32Å; R89-M93 HydrophobicContact CG-SD 3.86Å; R89-M93 WeakPolarHBondContact O-CB 3.43Å; R89-M93 VanDerWaalsContact O-CG 3.3Å; R89-M93 WeakPolarHBondContact O-CG 3.43Å; R89-M93 PolarHBondContact O-N 3.27Å; Q90-M93 PolarHBondContact O-N 3.36Å; M93-W99 HydrophobicContact CE-CZ2 4.33Å
94	A	90.8	Very high	89	Confident	54 Å²	54	49 Å²	49	45%	0.446	24%	0.242	S	C	.	.	H	α-helix	trans	-74.7	-35	179.3	0	0	0	0	0	113.3	Q90 F91 W92 G213	Q90-A94 WeakPolarHBondContact O-CB 3.45Å; Q90-A94 PolarHBondContact O-N 3.1Å; Q90-A94 VanDerWaalsContact O-N 3.1Å; F91-A94 PolarHBondContact O-N 3.38Å; W92-A94 VanDerWaalsContact C-N 3.29Å; W92-A94 PolarHBondContact O-N 3.38Å; A94-G213 VanDerWaalsContact CB-CA 3.49Å
95	N	90.3	Very high	89.2	Confident	36 Å²	36	50.5 Å²	50.5	19%	0.193	25%	0.25	C	C	.	.	H	α-helix	trans	-94.1	-15.8	-175.7	-70.9	-94	0	0	0	113.6	F91 W92 Q169 E212	F91-N95 HydrophobicContact CE1-CB 4.45Å; F91-N95 WeakPolarHBondContact CE2-ND2 3.42Å; F91-N95 HydrophobicContact CZ-CB 4.47Å; F91-N95 PolarHBondContact O-N 3.28Å; F91-N95 PolarHBondContact O-ND2 3.28Å; W92-N95 PolarHBondContact O-N 3.04Å; N95-Q169 PolarHBondContact OD1-NE2 3.39Å; N95-Q169 VanDerWaalsContact OD1-NE2 3.1Å; N95-E212 PolarHBondContact ND2-O 2.91Å
96	F	90.1	Very high	89.2	Confident	21 Å²	21	52 Å²	52	9%	0.092	26%	0.257	C	S	.	.			trans	-128.6	65.2	177.7	-58.4	-82.2	0	0	0	110.8	L57 A61 W92 E98 W99 F174	L57-F96 HydrophobicContact CD1-CE1 4.21Å; L57-F96 HydrophobicContact CD1-CZ 4Å; L57-F96 HydrophobicContact CD2-CE1 3.84Å; L57-F96 HydrophobicContact CD2-CZ 4.09Å; L57-F96 HydrophobicContact CG-CE1 3.74Å; L57-F96 HydrophobicContact CG-CZ 4.02Å; A61-F96 HydrophobicContact CB-CB 4.2Å; A61-F96 HydrophobicContact CB-CD1 4.17Å; A61-F96 HydrophobicContact CB-CD2 3.75Å; A61-F96 HydrophobicContact CB-CE2 4.14Å; A61-F96 HydrophobicContact CB-CG 3.76Å; W92-F96 WeakPolarHBondContact O-CB 3.48Å; W92-F96 WeakPolarHBondContact O-CD2 3.39Å; W92-F96 PolarHBondContact O-N 3.34Å; F96-E98 PolarHBondContact O-N 3.13Å; F96-W99 WeakPolarHBondContact O-CB 3.3Å; F96-W99 PolarHBondContact O-N 2.97Å; F96-F174 HydrophobicContact CE2-CD2 4.33Å; F96-F174 HydrophobicContact CZ-CD2 4.38Å
97	P	87.4	Confident	89	Confident	94 Å²	94	49.3 Å²	49.3	61%	0.61	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.6	-170.8	25.9	-35.5	0	0	0	114.2	W99	P97-W99 PolarHBondContact O-N 2.77Å
98	E	88	Confident	88.9	Confident	100 Å²	100	55.4 Å²	55.4	47%	0.467	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	3.5	-179.8	-56.8	-167	167.4	0	0	114.2	F96 S100 R101 I102	F96-E98 PolarHBondContact O-N 3.13Å; E98-S100 VanDerWaalsContact C-N 3.26Å; E98-S100 PolarHBondContact O-N 3.47Å; E98-S100 VanDerWaalsContact O-N 3.16Å; E98-R101 PolarHBondContact O-N 2.88Å; E98-R101 VanDerWaalsContact O-N 3.17Å; E98-I102 HydrophobicContact CB-CD1 4.39Å; E98-I102 WeakPolarHBondContact O-CG1 3.43Å; E98-I102 PolarHBondContact O-N 2.86Å
99	W	87.6	Confident	88.7	Confident	50 Å²	50	60.8 Å²	60.8	19%	0.189	30%	0.303	C	S	.	.	H	α-helix	trans	-54.7	-36.5	-174.3	72.2	-86	0	0	0	114.1	A62 I65 M93 F96 P97 I102 L103	A62-W99 HydrophobicContact CB-CB 3.78Å; I65-W99 HydrophobicContact CB-CD2 4.4Å; I65-W99 HydrophobicContact CB-CE3 4.24Å; I65-W99 HydrophobicContact CD1-CB 3.78Å; I65-W99 HydrophobicContact CD1-CD2 3.96Å; I65-W99 HydrophobicContact CD1-CG 3.57Å; I65-W99 HydrophobicContact CG2-CD2 3.85Å; I65-W99 HydrophobicContact CG2-CE3 3.75Å; I65-W99 HydrophobicContact CG2-CH2 4.02Å; I65-W99 HydrophobicContact CG2-CZ2 4.11Å; I65-W99 HydrophobicContact CG2-CZ3 3.84Å; M93-W99 HydrophobicContact CE-CZ2 4.33Å; F96-W99 WeakPolarHBondContact O-CB 3.3Å; F96-W99 PolarHBondContact O-N 2.97Å; P97-W99 PolarHBondContact O-N 2.77Å; W99-I102 PolarHBondContact O-N 3.4Å; W99-L103 HydrophobicContact CE3-CD1 3.77Å; W99-L103 HydrophobicContact CZ3-CD1 3.82Å; W99-L103 PolarHBondContact O-N 3.37Å; W99-L103 VanDerWaalsContact O-N 3.1Å
100	S	87.9	Confident	88.5	Confident	50 Å²	50	59 Å²	59	35%	0.35	30%	0.299	S	S	.	.	H	α-helix	trans	-67.2	-47.4	-179.8	53.2	0	0	0	0	111.1	E98 I102 L103 E104	E98-S100 VanDerWaalsContact C-N 3.26Å; E98-S100 PolarHBondContact O-N 3.47Å; E98-S100 VanDerWaalsContact O-N 3.16Å; S100-I102 VanDerWaalsContact C-N 3.28Å; S100-I102 PolarHBondContact O-N 2.94Å; S100-L103 PolarHBondContact O-N 3.44Å; S100-L103 VanDerWaalsContact O-N 3.16Å; S100-E104 WeakPolarHBondContact O-CG 3.45Å; S100-E104 PolarHBondContact O-N 3.34Å
101	R	88.4	Confident	88.1	Confident	142 Å²	142	60.8 Å²	60.8	54%	0.536	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-37.5	176.7	-172.8	179.1	-177.5	-175.1	-0.6	111.8	E98 E104 I105	E98-R101 PolarHBondContact O-N 2.88Å; E98-R101 VanDerWaalsContact O-N 3.17Å; R101-E104 PolarHBondContact O-N 3.24Å; R101-I105 HydrophobicContact CG-CD1 4.17Å; R101-I105 WeakPolarHBondContact O-CD1 3.28Å; R101-I105 VanDerWaalsContact O-CG1 3.24Å; R101-I105 WeakPolarHBondContact O-CG1 3.29Å; R101-I105 PolarHBondContact O-N 2.95Å
102	I	88.4	Confident	87.5	Confident	13 Å²	13	66.1 Å²	66.1	7%	0.067	34%	0.341	C	S	.	.	H	α-helix	trans	-62.5	-44.7	175.4	-72.3	169.3	0	0	0	111.1	I54 S58 L59 A62 E98 W99 S100 I105 E106	I54-I102 HydrophobicContact CD1-CG2 4.19Å; I54-I102 HydrophobicContact CG2-CD1 4.24Å; I54-I102 HydrophobicContact CG2-CG1 4.14Å; I54-I102 HydrophobicContact CG2-CG2 3.67Å; S58-I102 VanDerWaalsContact CB-CD1 3.45Å; L59-I102 HydrophobicContact CB-CG2 4.47Å; L59-I102 HydrophobicContact CD1-CG2 3.79Å; A62-I102 HydrophobicContact CB-CB 4.44Å; A62-I102 HydrophobicContact CB-CG2 4.07Å; E98-I102 HydrophobicContact CB-CD1 4.39Å; E98-I102 WeakPolarHBondContact O-CG1 3.43Å; E98-I102 PolarHBondContact O-N 2.86Å; W99-I102 PolarHBondContact O-N 3.4Å; S100-I102 VanDerWaalsContact C-N 3.28Å; S100-I102 PolarHBondContact O-N 2.94Å; I102-I105 PolarHBondContact O-N 2.87Å; I102-E106 PolarHBondContact O-N 3.07Å; I102-E106 VanDerWaalsContact O-N 3.12Å
103	L	86.1	Confident	87.1	Confident	9 Å²	9	67 Å²	67	5%	0.047	34%	0.344	C	S	.	.	H	α-helix	trans	-67.7	-38.2	176.5	-71.8	175.7	0	0	0	112.5	A62 K66 W99 S100 I105 E106 L107 F113 L114	A62-L103 HydrophobicContact CB-CD1 4.37Å; A62-L103 HydrophobicContact CB-CD2 4.12Å; A62-L103 HydrophobicContact CB-CG 3.89Å; K66-L103 HydrophobicContact CB-CD1 3.94Å; K66-L103 HydrophobicContact CD-CD1 4.35Å; K66-L103 HydrophobicContact CG-CD1 4.38Å; W99-L103 HydrophobicContact CE3-CD1 3.77Å; W99-L103 HydrophobicContact CZ3-CD1 3.82Å; W99-L103 PolarHBondContact O-N 3.37Å; W99-L103 VanDerWaalsContact O-N 3.1Å; S100-L103 PolarHBondContact O-N 3.44Å; S100-L103 VanDerWaalsContact O-N 3.16Å; L103-I105 VanDerWaalsContact C-N 3.34Å; L103-E106 PolarHBondContact O-N 3.18Å; L103-L107 VanDerWaalsContact O-CB 3.27Å; L103-L107 WeakPolarHBondContact O-CB 3.29Å; L103-L107 VanDerWaalsContact O-CG 3.22Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 3.48Å; L103-F113 HydrophobicContact CD2-CE1 4.19Å; L103-L114 HydrophobicContact CD2-CD2 4.1Å
104	E	87.4	Confident	86.5	Confident	116 Å²	116	65.2 Å²	65.2	54%	0.542	34%	0.336	S	S	.	.	H	α-helix	trans	-58	-47.5	173.9	-73.6	166.8	-171	0	0	110.8	S100 R101 E106 L107 D108	S100-E104 WeakPolarHBondContact O-CG 3.45Å; S100-E104 PolarHBondContact O-N 3.34Å; R101-E104 PolarHBondContact O-N 3.24Å; E104-E106 PolarHBondContact O-N 2.98Å; E104-L107 PolarHBondContact O-N 3.25Å; E104-D108 WeakPolarHBondContact O-CB 3.49Å; E104-D108 PolarHBondContact O-N 3.26Å
105	I	88.1	Confident	85.7	Confident	42 Å²	42	66 Å²	66	22%	0.215	33%	0.333	C	S	.	.	H	α-helix	trans	-61.2	-41.8	178	-67.2	163	0	0	0	111.8	P52 I54 R101 I102 L103 K109	P52-I105 HydrophobicContact CG-CD1 4.26Å; I54-I105 HydrophobicContact CD1-CB 4.22Å; I54-I105 HydrophobicContact CD1-CG2 3.89Å; R101-I105 HydrophobicContact CG-CD1 4.17Å; R101-I105 WeakPolarHBondContact O-CD1 3.28Å; R101-I105 VanDerWaalsContact O-CG1 3.24Å; R101-I105 WeakPolarHBondContact O-CG1 3.29Å; R101-I105 PolarHBondContact O-N 2.95Å; I102-I105 PolarHBondContact O-N 2.87Å; L103-I105 VanDerWaalsContact C-N 3.34Å; I105-K109 WeakPolarHBondContact O-CG 3.21Å; I105-K109 PolarHBondContact O-N 3.07Å
106	E	86.2	Confident	84.9	Confident	32 Å²	32	71.4 Å²	71.4	15%	0.15	36%	0.355	C	S	.	.	H	α-helix	trans	-73.8	-32.2	178.5	-70.6	-57.7	132.8	0	0	112.9	I54 L59 I102 L103 E104 K109 D110 F113	I54-E106 HydrophobicContact CD1-CG 4.18Å; I54-E106 WeakPolarHBondContact CD1-OE1 3.44Å; L59-E106 HydrophobicContact CD1-CG 3.84Å; I102-E106 PolarHBondContact O-N 3.07Å; I102-E106 VanDerWaalsContact O-N 3.12Å; L103-E106 PolarHBondContact O-N 3.18Å; E104-E106 PolarHBondContact O-N 2.98Å; E106-K109 PolarHBondContact O-N 3.23Å; E106-K109 IonicContact OE1-NZ 2.72Å; E106-K109 PolarHBondContact OE1-NZ 2.86Å; E106-D110 PolarHBondContact O-N 3.16Å; E106-F113 HydrophobicContact CB-CD1 3.97Å; E106-F113 HydrophobicContact CB-CD2 4.15Å; E106-F113 HydrophobicContact CB-CE1 4.05Å; E106-F113 HydrophobicContact CB-CE2 4.22Å; E106-F113 HydrophobicContact CB-CG 4.02Å; E106-F113 HydrophobicContact CB-CZ 4.18Å; E106-F113 HydrophobicContact CG-CE2 4.39Å; E106-F113 HydrophobicContact CG-CZ 4.3Å
107	L	85.4	Confident	84.1	Confident	56 Å²	56	73.2 Å²	73.2	29%	0.293	36%	0.363	S	S	.	.	H	α-helix	trans	-70.7	-33.3	173.3	-75.8	168.2	0	0	0	112.5	L103 E104 K109 D110 P111 F113 L114	L103-L107 VanDerWaalsContact O-CB 3.27Å; L103-L107 WeakPolarHBondContact O-CB 3.29Å; L103-L107 VanDerWaalsContact O-CG 3.22Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 3.48Å; E104-L107 PolarHBondContact O-N 3.25Å; L107-K109 VanDerWaalsContact C-N 3.31Å; L107-D110 CarbonylContact O-C 3.56Å; L107-P111 WeakPolarHBondContact O-CA 3.29Å; L107-P111 VanDerWaalsContact O-N 3.12Å; L107-F113 HydrophobicContact CD2-CB 4.34Å; L107-L114 HydrophobicContact CD1-CD1 4.1Å; L107-L114 HydrophobicContact CD2-CD1 4.14Å; L107-L114 HydrophobicContact CD2-CG 4.01Å
108	D	86.1	Confident	83.1	Confident	140 Å²	140	70.6 Å²	70.6	75%	0.749	34%	0.344	S	S	*	.	H	α-helix	trans	-65.7	-35.8	171.9	-78.1	-12.8	0	0	0	111.4	E104	E104-D108 WeakPolarHBondContact O-CB 3.49Å; E104-D108 PolarHBondContact O-N 3.26Å
109	K	87.6	Confident	81.5	Confident	113 Å²	113	71.4 Å²	71.4	49%	0.491	35%	0.351	S	S	.	.	H	α-helix	trans	-73.5	-42.3	175.5	-70	171.4	-170.4	171.4	0	112.4	I105 E106 L107	I105-K109 WeakPolarHBondContact O-CG 3.21Å; I105-K109 PolarHBondContact O-N 3.07Å; E106-K109 PolarHBondContact O-N 3.23Å; E106-K109 IonicContact OE1-NZ 2.72Å; E106-K109 PolarHBondContact OE1-NZ 2.86Å; L107-K109 VanDerWaalsContact C-N 3.31Å
110	D	86	Confident	79.8	Confident	42 Å²	42	73.8 Å²	73.8	23%	0.225	36%	0.364	C	S	.	.			trans	-142.1	102.1	179.9	178.8	8.4	0	0	0	109.5	E106 L107 H112 F113 K116	E106-D110 PolarHBondContact O-N 3.16Å; L107-D110 CarbonylContact O-C 3.56Å; D110-H112 PolarHBondContact O-N 3.35Å; D110-H112 WeakPolarHBondContact OD1-CA 3.11Å; D110-H112 WeakPolarHBondContact OD1-CB 3.37Å; D110-H112 PolarHBondContact OD1-N 2.86Å; D110-F113 HydrophobicContact CB-CB 4.16Å; D110-F113 WeakPolarHBondContact O-CB 3.32Å; D110-F113 PolarHBondContact O-N 3.3Å; D110-K116 IonicContact OD2-NZ 2.67Å; D110-K116 PolarHBondContact OD2-NZ 3.15Å
111	P	83.3	Confident	77.9	Confident	99 Å²	99	75.8 Å²	75.8	64%	0.643	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-20.6	176.6	-27.7	35.4	0	0	0	113.8	L107	L107-P111 WeakPolarHBondContact O-CA 3.29Å; L107-P111 VanDerWaalsContact O-N 3.12Å
112	H	79.6	Confident	76.3	Confident	114 Å²	114	71.4 Å²	71.4	53%	0.528	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	14.6	176.4	-64.5	-65.8	0	0	0	113.1	D110 L114 D115	D110-H112 PolarHBondContact O-N 3.35Å; D110-H112 WeakPolarHBondContact OD1-CA 3.11Å; D110-H112 WeakPolarHBondContact OD1-CB 3.37Å; D110-H112 PolarHBondContact OD1-N 2.86Å; H112-L114 PolarHBondContact O-N 3.48Å; H112-D115 HydrophobicContact CB-CB 4.33Å; H112-D115 IonicContact CE1-OD2 3.85Å; H112-D115 IonicContact CG-OD2 3.68Å; H112-D115 IonicContact ND1-OD2 2.82Å; H112-D115 PolarHBondContact ND1-OD2 3.04Å; H112-D115 WeakPolarHBondContact O-CB 3.42Å; H112-D115 PolarHBondContact O-N 2.99Å; H112-D115 VanDerWaalsContact O-N 3.15Å
113	F	82.7	Confident	75	Confident	20 Å²	20	72.8 Å²	72.8	9%	0.088	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-50.4	-179.9	177.4	-100.8	0	0	0	112	L59 I63 L103 E106 L107 D110 D115 K116 H117	L59-F113 HydrophobicContact CD1-CE1 4.46Å; L59-F113 HydrophobicContact CD1-CZ 3.98Å; I63-F113 HydrophobicContact CD1-CE1 4.35Å; I63-F113 HydrophobicContact CD1-CZ 3.98Å; I63-F113 HydrophobicContact CG1-CE1 4.1Å; I63-F113 HydrophobicContact CG1-CZ 4.23Å; L103-F113 HydrophobicContact CD2-CE1 4.19Å; E106-F113 HydrophobicContact CB-CD1 3.97Å; E106-F113 HydrophobicContact CB-CD2 4.15Å; E106-F113 HydrophobicContact CB-CE1 4.05Å; E106-F113 HydrophobicContact CB-CE2 4.22Å; E106-F113 HydrophobicContact CB-CG 4.02Å; E106-F113 HydrophobicContact CB-CZ 4.18Å; E106-F113 HydrophobicContact CG-CE2 4.39Å; E106-F113 HydrophobicContact CG-CZ 4.3Å; L107-F113 HydrophobicContact CD2-CB 4.34Å; D110-F113 HydrophobicContact CB-CB 4.16Å; D110-F113 WeakPolarHBondContact O-CB 3.32Å; D110-F113 PolarHBondContact O-N 3.3Å; F113-D115 VanDerWaalsContact C-N 3.27Å; F113-D115 PolarHBondContact O-N 3.48Å; F113-K116 PolarHBondContact O-N 3.45Å; F113-H117 AromaticContact CE1-CD2 3.97Å; F113-H117 AromaticContact CE2-NE2 3.88Å; F113-H117 AromaticContact CZ-CD2 3.86Å; F113-H117 AromaticContact CZ-NE2 3.76Å; F113-H117 PolarHBondContact O-CD2 2.91Å
114	L	78.7	Confident	74.1	Confident	26 Å²	26	72.6 Å²	72.6	14%	0.136	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.8	-179.7	-72	-179.8	0	0	0	113.1	K66 L103 L107 H112 K116 H117 I118	K66-L114 HydrophobicContact CB-CD2 4.47Å; K66-L114 HydrophobicContact CD-CD1 4.48Å; K66-L114 HydrophobicContact CG-CD1 4.06Å; K66-L114 HydrophobicContact CG-CD2 4.1Å; L103-L114 HydrophobicContact CD2-CD2 4.1Å; L107-L114 HydrophobicContact CD1-CD1 4.1Å; L107-L114 HydrophobicContact CD2-CD1 4.14Å; L107-L114 HydrophobicContact CD2-CG 4.01Å; H112-L114 PolarHBondContact O-N 3.48Å; L114-K116 PolarHBondContact O-N 2.97Å; L114-H117 CarbonylContact O-C 3.55Å; L114-H117 PolarHBondContact O-N 2.92Å; L114-I118 HydrophobicContact CB-CD1 4.04Å; L114-I118 HydrophobicContact CD1-CD1 4.31Å; L114-I118 HydrophobicContact CD2-CD1 4Å; L114-I118 HydrophobicContact CG-CD1 4.35Å; L114-I118 WeakPolarHBondContact O-CB 3.5Å; L114-I118 PolarHBondContact O-N 3.36Å
115	D	74.9	Confident	73.1	Confident	72 Å²	72	71.4 Å²	71.4	39%	0.385	37%	0.374	S	S	.	.	H	α-helix	trans	-60.5	-35.3	177.5	-73.8	-14.4	0	0	0	111	H112 F113 H117 L119	H112-D115 HydrophobicContact CB-CB 4.33Å; H112-D115 IonicContact CE1-OD2 3.85Å; H112-D115 IonicContact CG-OD2 3.68Å; H112-D115 IonicContact ND1-OD2 2.82Å; H112-D115 PolarHBondContact ND1-OD2 3.04Å; H112-D115 WeakPolarHBondContact O-CB 3.42Å; H112-D115 PolarHBondContact O-N 2.99Å; H112-D115 VanDerWaalsContact O-N 3.15Å; F113-D115 VanDerWaalsContact C-N 3.27Å; F113-D115 PolarHBondContact O-N 3.48Å; D115-H117 VanDerWaalsContact C-N 3.27Å; D115-H117 PolarHBondContact O-N 3.42Å; D115-L119 HydrophobicContact CB-CD1 3.45Å; D115-L119 VanDerWaalsContact CB-CD1 3.45Å; D115-L119 HydrophobicContact CB-CG 4.17Å; D115-L119 VanDerWaalsContact CG-CD1 3.46Å; D115-L119 VanDerWaalsContact O-CB 3.29Å; D115-L119 WeakPolarHBondContact O-CB 3.43Å; D115-L119 PolarHBondContact O-N 3.03Å; D115-L119 WeakPolarHBondContact OD1-CD1 3.42Å
116	K	73.5	Confident	72.5	Confident	148 Å²	148	72.3 Å²	72.3	64%	0.643	38%	0.384	S	S	*	.	H	α-helix	trans	-70.2	-21.1	175.6	-63.5	167.7	-178.5	160.3	0	113.5	D110 F113 L114	D110-K116 IonicContact OD2-NZ 2.67Å; D110-K116 PolarHBondContact OD2-NZ 3.15Å; F113-K116 PolarHBondContact O-N 3.45Å; L114-K116 PolarHBondContact O-N 2.97Å
117	H	72.3	Confident	72.2	Confident	60 Å²	60	70.8 Å²	70.8	28%	0.278	38%	0.377	S	S	.	.	H	α-helix	trans	-111.7	-19.6	-173.2	-67.8	-67.5	0	0	0	114.2	I63 Q67 F113 L114 D115	I63-H117 HydrophobicContact CG2-CB 3.99Å; Q67-H117 PolarHBondContact NE2-O 3.12Å; F113-H117 AromaticContact CE1-CD2 3.97Å; F113-H117 AromaticContact CE2-NE2 3.88Å; F113-H117 AromaticContact CZ-CD2 3.86Å; F113-H117 AromaticContact CZ-NE2 3.76Å; F113-H117 PolarHBondContact O-CD2 2.91Å; L114-H117 CarbonylContact O-C 3.55Å; L114-H117 PolarHBondContact O-N 2.92Å; D115-H117 VanDerWaalsContact C-N 3.27Å; D115-H117 PolarHBondContact O-N 3.42Å
118	I	67.8	Low	71.7	Confident	39 Å²	39	68.4 Å²	68.4	20%	0.2	37%	0.365	C	S	.	.	H	α-helix	trans	-115.4	-31.7	-174.4	-58.6	-179.1	0	0	0	112.6	K66 Q67 C70 L114 E120	K66-I118 HydrophobicContact CB-CD1 4.48Å; K66-I118 HydrophobicContact CG-CD1 3.69Å; Q67-I118 HydrophobicContact CG-CG1 4.37Å; C70-I118 HydrophobicContact CB-CG2 4.31Å; L114-I118 HydrophobicContact CB-CD1 4.04Å; L114-I118 HydrophobicContact CD1-CD1 4.31Å; L114-I118 HydrophobicContact CD2-CD1 4Å; L114-I118 HydrophobicContact CG-CD1 4.35Å; L114-I118 WeakPolarHBondContact O-CB 3.5Å; L114-I118 PolarHBondContact O-N 3.36Å; I118-E120 PolarHBondContact O-N 2.74Å; I118-E120 VanDerWaalsContact O-N 3.09Å
119	L	53	Low	71.3	Confident	117 Å²	117	63 Å²	63	61%	0.613	34%	0.34	S	S	*	.			trans	-78.2	13.7	-169.9	-68.5	176.4	0	0	0	116.2	D115 P121	D115-L119 HydrophobicContact CB-CD1 3.45Å; D115-L119 VanDerWaalsContact CB-CD1 3.45Å; D115-L119 HydrophobicContact CB-CG 4.17Å; D115-L119 VanDerWaalsContact CG-CD1 3.46Å; D115-L119 VanDerWaalsContact O-CB 3.29Å; D115-L119 WeakPolarHBondContact O-CB 3.43Å; D115-L119 PolarHBondContact O-N 3.03Å; D115-L119 WeakPolarHBondContact OD1-CD1 3.42Å; L119-P121 WeakPolarHBondContact O-CD 3.47Å
120	E	53.5	Low	71.1	Confident	99 Å²	99	58.2 Å²	58.2	46%	0.463	32%	0.319	S	S	.	.	S	Bend	trans	-61.5	125.5	167.4	-69.3	-173.2	159.6	0	0	108.5	I118 G122 H125	I118-E120 PolarHBondContact O-N 2.74Å; I118-E120 VanDerWaalsContact O-N 3.09Å; E120-G122 PolarHBondContact O-N 2.67Å; E120-H125 PolarHBondContact OE2-N 2.93Å
121	P	47.5	Very low	70.9	Confident	93 Å²	93	56.2 Å²	56.2	60%	0.604	31%	0.309	S	S	*	.	S	Bend	trans	-57.5	108.4	171.9	-14.9	25.3	0	0	0	108.7	L119 Q1071	L119-P121 WeakPolarHBondContact O-CD 3.47Å; P121-Q1071 PolarHBondContact O-OE1 2.91Å
122	G	53.9	Low	70.7	Confident	50 Å²	50	51.5 Å²	51.5	52%	0.515	28%	0.278	S	S	.	.	S	Bend	trans	115.8	-138.8	-176.7	0	0	0	0	0	113.8	E120	E120-G122 PolarHBondContact O-N 2.67Å
123	F	61.2	Low	70.9	Confident	41 Å²	41	50 Å²	50	18%	0.18	27%	0.27	C	S	.	.	S	Bend	trans	-100.6	124.1	-174.9	-142.7	-94.8	0	0	0	109.3	V71 I77 H125 F127 L131 I1130	V71-F123 HydrophobicContact CB-CZ 4.46Å; V71-F123 HydrophobicContact CG1-CE1 4.46Å; V71-F123 HydrophobicContact CG1-CE2 3.85Å; V71-F123 HydrophobicContact CG1-CZ 3.61Å; V71-F123 HydrophobicContact CG2-CD1 4.5Å; V71-F123 HydrophobicContact CG2-CD2 4.29Å; V71-F123 HydrophobicContact CG2-CE1 4.23Å; V71-F123 HydrophobicContact CG2-CE2 3.99Å; V71-F123 HydrophobicContact CG2-CZ 3.96Å; I77-F123 HydrophobicContact CD1-CE2 3.53Å; I77-F123 HydrophobicContact CD1-CZ 4.16Å; I77-F123 HydrophobicContact CG1-CE2 3.82Å; I77-F123 HydrophobicContact CG2-CE2 4.43Å; F123-H125 PolarHBondContact O-N 3.12Å; F123-F127 AromaticContact CD1-CD1 3.92Å; F123-F127 HydrophobicContact CD1-CD1 3.92Å; F123-F127 AromaticContact CE1-CD1 3.33Å; F123-F127 HydrophobicContact CE1-CD1 3.33Å; F123-F127 AromaticContact CE1-CE1 3.63Å; F123-F127 HydrophobicContact CE1-CE1 3.63Å; F123-F127 HydrophobicContact CZ-CD1 4.06Å; F123-F127 AromaticContact CZ-CE1 3.92Å; F123-F127 HydrophobicContact CZ-CE1 3.92Å; F123-L131 HydrophobicContact CE1-CD1 4.24Å; F123-L131 HydrophobicContact CZ-CD1 4.43Å; F123-I1130 HydrophobicContact CB-CD1 4.09Å; F123-I1130 HydrophobicContact CD1-CD1 3.67Å; F123-I1130 HydrophobicContact CD2-CD1 3.31Å; F123-I1130 HydrophobicContact CE1-CD1 3.69Å; F123-I1130 HydrophobicContact CE2-CD1 3.35Å; F123-I1130 HydrophobicContact CG-CD1 3.46Å; F123-I1130 VanDerWaalsContact CG-CD1 3.46Å; F123-I1130 HydrophobicContact CZ-CD1 3.54Å
124	P	67.4	Low	71.1	Confident	6 Å²	6	49.1 Å²	49.1	4%	0.039	27%	0.266	C	S	.	.			trans	-54.6	127.8	-177.1	-25.6	32.6	0	0	0	112	Q67 S126 F127 S128	Q67-P124 HydrophobicContact CB-CG 4.4Å; Q67-P124 HydrophobicContact CG-CB 4.17Å; Q67-P124 HydrophobicContact CG-CG 4.09Å; P124-S126 VanDerWaalsContact C-N 3.31Å; P124-S126 PolarHBondContact O-N 3.36Å; P124-F127 HydrophobicContact CB-CB 4.06Å; P124-F127 WeakPolarHBondContact O-CB 3.34Å; P124-F127 PolarHBondContact O-N 3.14Å; P124-F127 VanDerWaalsContact O-N 3.16Å; P124-S128 PolarHBondContact O-N 3.12Å
125	H	67.1	Low	71.3	Confident	90 Å²	90	49.1 Å²	49.1	42%	0.417	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-40.6	-172.8	-170.3	-46	0	0	0	112.6	E120 F123 F127 S128 A129 K1128	E120-H125 PolarHBondContact OE2-N 2.93Å; F123-H125 PolarHBondContact O-N 3.12Å; H125-F127 VanDerWaalsContact C-N 3.35Å; H125-S128 PolarHBondContact O-N 2.68Å; H125-A129 WeakPolarHBondContact O-CB 3.34Å; H125-A129 PolarHBondContact O-N 3.43Å; H125-K1128 PolarHBondContact CD2-NZ 3.08Å; H125-K1128 WeakPolarHBondContact NE2-CE 3.47Å; H125-K1128 PolarHBondContact NE2-NZ 3.44Å
126	S	74.1	Confident	71.6	Confident	61 Å²	61	48.1 Å²	48.1	43%	0.427	26%	0.258	S	S	.	.	H	α-helix	trans	-60.5	-45.2	177.9	57.9	0	0	0	0	111.5	Q67 P124 A129 Q130	Q67-S126 PolarHBondContact NE2-OG 3.3Å; Q67-S126 PolarHBondContact OE1-OG 3.33Å; Q67-S126 VanDerWaalsContact OE1-OG 3.13Å; P124-S126 VanDerWaalsContact C-N 3.31Å; P124-S126 PolarHBondContact O-N 3.36Å; S126-A129 PolarHBondContact O-N 3.17Å; S126-Q130 PolarHBondContact O-N 3.22Å
127	F	80.7	Confident	72.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-47.8	179.4	-171.5	-108.2	0	0	0	111.9	L64 Q67 V71 T85 W92 F123 P124 H125 A129 Q130 L131	L64-F127 HydrophobicContact CB-CD2 4.44Å; L64-F127 HydrophobicContact CD2-CB 4.32Å; L64-F127 HydrophobicContact CD2-CD2 3.81Å; Q67-F127 HydrophobicContact CB-CB 4.09Å; Q67-F127 HydrophobicContact CB-CD2 3.9Å; Q67-F127 HydrophobicContact CB-CG 4.03Å; V71-F127 HydrophobicContact CB-CE1 4.1Å; V71-F127 HydrophobicContact CG1-CD1 4.45Å; V71-F127 HydrophobicContact CG1-CE1 3.66Å; V71-F127 HydrophobicContact CG1-CZ 4.32Å; V71-F127 HydrophobicContact CG2-CD1 3.83Å; V71-F127 HydrophobicContact CG2-CE1 3.82Å; T85-F127 HydrophobicContact CG2-CE1 4.43Å; T85-F127 HydrophobicContact CG2-CZ 3.89Å; W92-F127 HydrophobicContact CH2-CE2 4.09Å; W92-F127 AromaticContact CZ3-CE2 3.86Å; W92-F127 HydrophobicContact CZ3-CE2 3.86Å; F123-F127 AromaticContact CD1-CD1 3.92Å; F123-F127 HydrophobicContact CD1-CD1 3.92Å; F123-F127 AromaticContact CE1-CD1 3.33Å; F123-F127 HydrophobicContact CE1-CD1 3.33Å; F123-F127 AromaticContact CE1-CE1 3.63Å; F123-F127 HydrophobicContact CE1-CE1 3.63Å; F123-F127 HydrophobicContact CZ-CD1 4.06Å; F123-F127 AromaticContact CZ-CE1 3.92Å; F123-F127 HydrophobicContact CZ-CE1 3.92Å; P124-F127 HydrophobicContact CB-CB 4.06Å; P124-F127 WeakPolarHBondContact O-CB 3.34Å; P124-F127 PolarHBondContact O-N 3.14Å; P124-F127 VanDerWaalsContact O-N 3.16Å; H125-F127 VanDerWaalsContact C-N 3.35Å; F127-A129 VanDerWaalsContact C-N 3.33Å; F127-A129 PolarHBondContact O-N 3.42Å; F127-Q130 PolarHBondContact O-N 2.63Å; F127-L131 HydrophobicContact CD1-CD1 4.03Å; F127-L131 HydrophobicContact CD1-CG 4.34Å; F127-L131 HydrophobicContact CE1-CD1 3.3Å; F127-L131 HydrophobicContact CE1-CD2 4.46Å; F127-L131 HydrophobicContact CE1-CG 3.85Å; F127-L131 HydrophobicContact CE2-CD2 4.35Å; F127-L131 HydrophobicContact CE2-CG 4.34Å; F127-L131 HydrophobicContact CZ-CD1 3.62Å; F127-L131 HydrophobicContact CZ-CD2 3.95Å; F127-L131 HydrophobicContact CZ-CG 3.82Å; F127-L131 PolarHBondContact O-N 3.38Å
128	S	75.6	Confident	73.2	Confident	7 Å²	7	39.6 Å²	39.6	5%	0.049	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-43.4	177.1	-168.2	0	0	0	0	112.3	P124 H125 Q130 S132 I1130	P124-S128 PolarHBondContact O-N 3.12Å; H125-S128 PolarHBondContact O-N 2.68Å; S128-Q130 VanDerWaalsContact C-N 3.33Å; S128-Q130 PolarHBondContact O-N 3.34Å; S128-S132 PolarHBondContact O-N 2.74Å; S128-I1130 PolarHBondContact OG-N 2.79Å
129	A	76.4	Confident	74	Confident	26 Å²	26	39.1 Å²	39.1	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-40.5	177.6	0	0	0	0	0	111.7	H125 S126 F127 S132 K133	H125-A129 WeakPolarHBondContact O-CB 3.34Å; H125-A129 PolarHBondContact O-N 3.43Å; S126-A129 PolarHBondContact O-N 3.17Å; F127-A129 VanDerWaalsContact C-N 3.33Å; F127-A129 PolarHBondContact O-N 3.42Å; A129-S132 PolarHBondContact O-N 3.39Å; A129-K133 WeakPolarHBondContact O-CG 3.48Å; A129-K133 PolarHBondContact O-N 2.67Å
130	Q	83.8	Confident	75.7	Confident	13 Å²	13	36.9 Å²	36.9	6%	0.061	20%	0.203	C	C	.	.	H	α-helix	trans	-67.9	-45.1	178.9	-172.6	64.5	11.1	0	0	112.5	L64 W92 S126 F127 S128 S132 K133 N134 F174	L64-Q130 HydrophobicContact CD1-CB 4.31Å; L64-Q130 HydrophobicContact CD1-CG 3.73Å; L64-Q130 HydrophobicContact CD2-CB 4.18Å; L64-Q130 HydrophobicContact CD2-CG 4.48Å; W92-Q130 HydrophobicContact CH2-CG 4.4Å; W92-Q130 HydrophobicContact CZ2-CG 4Å; S126-Q130 PolarHBondContact O-N 3.22Å; F127-Q130 PolarHBondContact O-N 2.63Å; S128-Q130 VanDerWaalsContact C-N 3.33Å; S128-Q130 PolarHBondContact O-N 3.34Å; Q130-S132 VanDerWaalsContact C-N 3.26Å; Q130-S132 PolarHBondContact O-N 2.99Å; Q130-K133 PolarHBondContact O-N 3.5Å; Q130-N134 PolarHBondContact O-N 3.28Å; Q130-N134 VanDerWaalsContact O-N 3.08Å; Q130-F174 PolarHBondContact NE2-O 3.25Å
131	L	82.8	Confident	77.6	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.4	-35.8	175.6	-68.8	-171.5	0	0	0	111.9	I84 T85 C88 W92 F123 F127 N134 F135 L1129	I84-L131 HydrophobicContact CG2-CD2 4.16Å; T85-L131 WeakPolarHBondContact OG1-CD1 3.24Å; C88-L131 HydrophobicContact CB-CD2 4.1Å; W92-L131 HydrophobicContact CH2-CD2 4.31Å; F123-L131 HydrophobicContact CE1-CD1 4.24Å; F123-L131 HydrophobicContact CZ-CD1 4.43Å; F127-L131 HydrophobicContact CD1-CD1 4.03Å; F127-L131 HydrophobicContact CD1-CG 4.34Å; F127-L131 HydrophobicContact CE1-CD1 3.3Å; F127-L131 HydrophobicContact CE1-CD2 4.46Å; F127-L131 HydrophobicContact CE1-CG 3.85Å; F127-L131 HydrophobicContact CE2-CD2 4.35Å; F127-L131 HydrophobicContact CE2-CG 4.34Å; F127-L131 HydrophobicContact CZ-CD1 3.62Å; F127-L131 HydrophobicContact CZ-CD2 3.95Å; F127-L131 HydrophobicContact CZ-CG 3.82Å; F127-L131 PolarHBondContact O-N 3.38Å; L131-N134 PolarHBondContact O-N 2.74Å; L131-F135 WeakPolarHBondContact O-CB 3.23Å; L131-F135 PolarHBondContact O-N 2.85Å; L131-L1129 HydrophobicContact CB-CD2 3.56Å; L131-L1129 HydrophobicContact CD1-CD2 4.22Å
132	S	77.7	Confident	79.7	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.6	-49.8	175.3	-169.3	0	0	0	0	112.4	S128 A129 Q130 N134 F135 H136 D1127	S128-S132 PolarHBondContact O-N 2.74Å; A129-S132 PolarHBondContact O-N 3.39Å; Q130-S132 VanDerWaalsContact C-N 3.26Å; Q130-S132 PolarHBondContact O-N 2.99Å; S132-N134 VanDerWaalsContact C-N 3.25Å; S132-N134 PolarHBondContact O-N 3.19Å; S132-F135 PolarHBondContact O-N 3.44Å; S132-H136 PolarHBondContact O-N 3.26Å; S132-H136 PolarHBondContact O-ND1 3.3Å; S132-H136 PolarHBondContact OG-CE1 2.76Å; S132-H136 VanDerWaalsContact OG-CE1 3.24Å; S132-H136 PolarHBondContact OG-ND1 2.94Å; S132-D1127 WeakPolarHBondContact CB-O 3.33Å; S132-D1127 PolarHBondContact OG-O 3.27Å
133	K	83.9	Confident	81.4	Confident	82 Å²	82	25.5 Å²	25.5	36%	0.357	13%	0.128	S	C	.	.	H	α-helix	trans	-56.7	-44.6	176.8	-67.9	170.6	-175.7	174.4	0	110.9	A129 Q130 F137 R175	A129-K133 WeakPolarHBondContact O-CG 3.48Å; A129-K133 PolarHBondContact O-N 2.67Å; Q130-K133 PolarHBondContact O-N 3.5Å; K133-F137 VanDerWaalsContact O-CB 3.26Å; K133-F137 WeakPolarHBondContact O-CB 3.23Å; K133-F137 PolarHBondContact O-N 2.74Å; K133-R175 WeakPolarHBondContact CD-O 3.42Å; K133-R175 PolarHBondContact NZ-O 3.32Å
134	N	86.9	Confident	83	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.011	12%	0.12	C	C	.	.	H	α-helix	trans	-61.5	-46.5	178.8	-175.4	-99.3	0	0	0	112.9	Q130 L131 S132 F137 N138 G177 I179 Q181	Q130-N134 PolarHBondContact O-N 3.28Å; Q130-N134 VanDerWaalsContact O-N 3.08Å; L131-N134 PolarHBondContact O-N 2.74Å; S132-N134 VanDerWaalsContact C-N 3.25Å; S132-N134 PolarHBondContact O-N 3.19Å; N134-F137 PolarHBondContact O-N 2.99Å; N134-N138 PolarHBondContact ND2-ND2 2.98Å; N134-N138 PolarHBondContact O-N 3.21Å; N134-N138 PolarHBondContact O-ND2 3.22Å; N134-N138 PolarHBondContact OD1-ND2 3.26Å; N134-G177 WeakPolarHBondContact CA-O 3.45Å; N134-G177 PolarHBondContact ND2-O 3.39Å; N134-I179 VanDerWaalsContact ND2-CB 3.3Å; N134-I179 WeakPolarHBondContact ND2-CB 3.37Å; N134-I179 PolarHBondContact ND2-N 2.79Å; N134-I179 PolarHBondContact ND2-O 2.78Å; N134-I179 VanDerWaalsContact ND2-O 3.09Å; N134-Q181 PolarHBondContact OD1-NE2 3.27Å
135	F	84.1	Confident	84.3	Confident	26 Å²	26	23.2 Å²	23.2	11%	0.114	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-49.8	179.2	178.4	-109.1	0	0	0	112.4	I84 L131 S132 F137 N138 I139 M184 L1129	I84-F135 HydrophobicContact CD1-CD2 3.47Å; I84-F135 VanDerWaalsContact CD1-CD2 3.47Å; I84-F135 HydrophobicContact CD1-CE2 3.98Å; I84-F135 HydrophobicContact CD1-CG 4.29Å; L131-F135 WeakPolarHBondContact O-CB 3.23Å; L131-F135 PolarHBondContact O-N 2.85Å; S132-F135 PolarHBondContact O-N 3.44Å; F135-F137 VanDerWaalsContact C-N 3.3Å; F135-F137 PolarHBondContact O-N 3.41Å; F135-N138 PolarHBondContact O-N 3.12Å; F135-N138 VanDerWaalsContact O-N 3.12Å; F135-I139 HydrophobicContact CD1-CD1 3.77Å; F135-I139 HydrophobicContact CD2-CD1 4.4Å; F135-I139 HydrophobicContact CE1-CD1 3.19Å; F135-I139 HydrophobicContact CE1-CG1 4.28Å; F135-I139 HydrophobicContact CE2-CD1 3.92Å; F135-I139 HydrophobicContact CE2-CG1 4.28Å; F135-I139 HydrophobicContact CG-CD1 4.36Å; F135-I139 HydrophobicContact CZ-CD1 3.31Å; F135-I139 HydrophobicContact CZ-CG1 4.15Å; F135-I139 PolarHBondContact O-N 2.83Å; F135-M184 HydrophobicContact CD2-SD 4.29Å; F135-M184 HydrophobicContact CE2-CE 4.5Å; F135-M184 HydrophobicContact CE2-SD 4.37Å; F135-L1129 HydrophobicContact CB-CD1 4.03Å; F135-L1129 HydrophobicContact CD1-CD1 4.1Å; F135-L1129 HydrophobicContact CG-CD1 4.22Å
136	H	81.4	Confident	85.5	Confident	51 Å²	51	19.3 Å²	19.3	24%	0.236	10%	0.1	C	C	.	.	H	α-helix	trans	-62	-39.2	179.3	-72.1	92.1	0	0	0	112.1	S132 K140 T684	S132-H136 PolarHBondContact O-N 3.26Å; S132-H136 PolarHBondContact O-ND1 3.3Å; S132-H136 PolarHBondContact OG-CE1 2.76Å; S132-H136 VanDerWaalsContact OG-CE1 3.24Å; S132-H136 PolarHBondContact OG-ND1 2.94Å; H136-K140 WeakPolarHBondContact O-CB 3.45Å; H136-K140 PolarHBondContact O-N 3.25Å; H136-K140 VanDerWaalsContact O-N 3.16Å; H136-T684 PolarHBondContact NE2-O 2.99Å; H136-T684 VanDerWaalsContact NE2-O 3.17Å
137	F	87.9	Confident	86.4	Confident	28 Å²	28	16.4 Å²	16.4	12%	0.123	8%	0.08	C	C	.	.	H	α-helix	trans	-59.4	-46.9	173.3	179.3	-110	0	0	0	111.4	K133 N134 F135 K140 L141 V164 H178	K133-F137 VanDerWaalsContact O-CB 3.26Å; K133-F137 WeakPolarHBondContact O-CB 3.23Å; K133-F137 PolarHBondContact O-N 2.74Å; N134-F137 PolarHBondContact O-N 2.99Å; F135-F137 VanDerWaalsContact C-N 3.3Å; F135-F137 PolarHBondContact O-N 3.41Å; F137-K140 WeakPolarHBondContact O-CB 3.37Å; F137-K140 PolarHBondContact O-N 3.49Å; F137-L141 HydrophobicContact CD1-CD1 4.04Å; F137-L141 HydrophobicContact CD1-CG 4.38Å; F137-L141 HydrophobicContact CE1-CD1 3.42Å; F137-L141 VanDerWaalsContact CE1-CD1 3.42Å; F137-L141 HydrophobicContact CE1-CG 4.05Å; F137-L141 HydrophobicContact CE2-CD1 4.45Å; F137-L141 HydrophobicContact CE2-CD2 4.17Å; F137-L141 HydrophobicContact CE2-CG 4.33Å; F137-L141 HydrophobicContact CZ-CD1 3.66Å; F137-L141 HydrophobicContact CZ-CD2 4.04Å; F137-L141 HydrophobicContact CZ-CG 4.02Å; F137-L141 WeakPolarHBondContact O-CG 3.32Å; F137-L141 PolarHBondContact O-N 2.93Å; F137-V164 HydrophobicContact CE1-CG1 3.71Å; F137-V164 HydrophobicContact CZ-CB 4.42Å; F137-V164 HydrophobicContact CZ-CG1 3.56Å; F137-V164 HydrophobicContact CZ-CG2 3.89Å; F137-H178 AromaticContact CD2-CD2 3.82Å; F137-H178 HydrophobicContact CE1-CB 4.26Å; F137-H178 AromaticContact CE2-CD2 3.64Å; F137-H178 AromaticContact CE2-NE2 3.86Å; F137-H178 HydrophobicContact CZ-CB 4.35Å; F137-H178 AromaticContact CZ-CD2 3.89Å
138	N	89.8	Confident	87	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-69.7	-37.5	-179	-81	-77.8	0	0	0	114.3	N134 F135 K140 L141 A142 I179 I180 Q181 M184	N134-N138 PolarHBondContact ND2-ND2 2.98Å; N134-N138 PolarHBondContact O-N 3.21Å; N134-N138 PolarHBondContact O-ND2 3.22Å; N134-N138 PolarHBondContact OD1-ND2 3.26Å; F135-N138 PolarHBondContact O-N 3.12Å; F135-N138 VanDerWaalsContact O-N 3.12Å; N138-K140 VanDerWaalsContact C-N 3.27Å; N138-K140 PolarHBondContact O-N 3.42Å; N138-L141 PolarHBondContact O-N 3.2Å; N138-A142 VanDerWaalsContact O-CB 3.32Å; N138-A142 WeakPolarHBondContact O-CB 3.44Å; N138-A142 PolarHBondContact O-N 2.98Å; N138-I179 PolarHBondContact ND2-O 3.17Å; N138-I179 PolarHBondContact OD1-O 2.55Å; N138-I180 WeakPolarHBondContact OD1-CA 3.14Å; N138-Q181 HydrophobicContact CB-CB 4.46Å; N138-Q181 HydrophobicContact CB-CG 4.39Å; N138-Q181 PolarHBondContact OD1-N 3.22Å; N138-M184 HydrophobicContact CB-CB 4.42Å; N138-M184 HydrophobicContact CB-CE 4.37Å; N138-M184 HydrophobicContact CB-SD 3.83Å
139	I	85.7	Confident	87.8	Confident	29 Å²	29	18.2 Å²	18.2	15%	0.149	9%	0.088	C	C	.	.	H	α-helix	trans	-57.9	-45.5	171.5	-71.8	175.3	0	0	0	110	F135 A142 G143 M184 T553 P556	F135-I139 HydrophobicContact CD1-CD1 3.77Å; F135-I139 HydrophobicContact CD2-CD1 4.4Å; F135-I139 HydrophobicContact CE1-CD1 3.19Å; F135-I139 HydrophobicContact CE1-CG1 4.28Å; F135-I139 HydrophobicContact CE2-CD1 3.92Å; F135-I139 HydrophobicContact CE2-CG1 4.28Å; F135-I139 HydrophobicContact CG-CD1 4.36Å; F135-I139 HydrophobicContact CZ-CD1 3.31Å; F135-I139 HydrophobicContact CZ-CG1 4.15Å; F135-I139 PolarHBondContact O-N 2.83Å; I139-A142 PolarHBondContact O-N 3.4Å; I139-G143 PolarHBondContact O-N 2.98Å; I139-M184 HydrophobicContact CB-CE 4.3Å; I139-M184 HydrophobicContact CG1-CE 3.44Å; I139-M184 VanDerWaalsContact CG1-CE 3.44Å; I139-T553 HydrophobicContact CG2-CG2 4.49Å; I139-P556 HydrophobicContact CG2-CB 4.07Å; I139-P556 HydrophobicContact CG2-CG 3.93Å
140	K	88.7	Confident	88.5	Confident	71 Å²	71	19 Å²	19	31%	0.309	10%	0.095	S	C	.	.	H	α-helix	trans	-59.9	-48.8	177.6	-175.5	177.9	-179.9	177.5	0	110.5	H136 F137 N138 A142 G143 F144 P556 I559	H136-K140 WeakPolarHBondContact O-CB 3.45Å; H136-K140 PolarHBondContact O-N 3.25Å; H136-K140 VanDerWaalsContact O-N 3.16Å; F137-K140 WeakPolarHBondContact O-CB 3.37Å; F137-K140 PolarHBondContact O-N 3.49Å; N138-K140 VanDerWaalsContact C-N 3.27Å; N138-K140 PolarHBondContact O-N 3.42Å; K140-A142 VanDerWaalsContact C-N 3.35Å; K140-A142 PolarHBondContact O-N 3.21Å; K140-G143 PolarHBondContact O-N 2.87Å; K140-F144 HydrophobicContact CD-CE2 4.36Å; K140-F144 HydrophobicContact CG-CD2 3.91Å; K140-F144 HydrophobicContact CG-CE2 3.74Å; K140-F144 VanDerWaalsContact O-CD2 3.26Å; K140-F144 WeakPolarHBondContact O-CD2 3.33Å; K140-F144 PolarHBondContact O-N 2.97Å; K140-P556 HydrophobicContact CB-CG 4.46Å; K140-I559 HydrophobicContact CG-CD1 4.09Å; K140-I559 HydrophobicContact CG-CG1 4.25Å
141	L	92.6	Very high	88.9	Confident	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-59.7	-42.7	177.4	-66.9	-168.1	0	0	0	113	F137 N138 G143 F144 L145 F157 F160 I180 V185	F137-L141 HydrophobicContact CD1-CD1 4.04Å; F137-L141 HydrophobicContact CD1-CG 4.38Å; F137-L141 HydrophobicContact CE1-CD1 3.42Å; F137-L141 VanDerWaalsContact CE1-CD1 3.42Å; F137-L141 HydrophobicContact CE1-CG 4.05Å; F137-L141 HydrophobicContact CE2-CD1 4.45Å; F137-L141 HydrophobicContact CE2-CD2 4.17Å; F137-L141 HydrophobicContact CE2-CG 4.33Å; F137-L141 HydrophobicContact CZ-CD1 3.66Å; F137-L141 HydrophobicContact CZ-CD2 4.04Å; F137-L141 HydrophobicContact CZ-CG 4.02Å; F137-L141 WeakPolarHBondContact O-CG 3.32Å; F137-L141 PolarHBondContact O-N 2.93Å; N138-L141 PolarHBondContact O-N 3.2Å; L141-G143 VanDerWaalsContact C-N 3.32Å; L141-G143 PolarHBondContact O-N 3.34Å; L141-F144 PolarHBondContact O-N 3.18Å; L141-L145 WeakPolarHBondContact O-CB 3.41Å; L141-L145 PolarHBondContact O-N 3.24Å; L141-F157 HydrophobicContact CB-CZ 4.41Å; L141-F157 WeakPolarHBondContact O-CE2 3.45Å; L141-F160 HydrophobicContact CD2-CD1 4.3Å; L141-F160 HydrophobicContact CD2-CE1 3.56Å; L141-F160 HydrophobicContact CD2-CZ 4.48Å; L141-I180 HydrophobicContact CD1-CD1 4.4Å; L141-I180 HydrophobicContact CD1-CG1 3.92Å; L141-V185 HydrophobicContact CB-CG2 3.89Å
142	A	91.6	Very high	89.4	Confident	1 Å²	1	21.7 Å²	21.7	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-40.3	178.5	0	0	0	0	0	111.6	N138 I139 K140 L145 D146 K188 T553	N138-A142 VanDerWaalsContact O-CB 3.32Å; N138-A142 WeakPolarHBondContact O-CB 3.44Å; N138-A142 PolarHBondContact O-N 2.98Å; I139-A142 PolarHBondContact O-N 3.4Å; K140-A142 VanDerWaalsContact C-N 3.35Å; K140-A142 PolarHBondContact O-N 3.21Å; A142-L145 PolarHBondContact O-N 3.34Å; A142-D146 PolarHBondContact O-N 2.87Å; A142-K188 HydrophobicContact CB-CD 4.37Å; A142-T553 HydrophobicContact CB-CG2 3.86Å; A142-T553 WeakPolarHBondContact CB-OG1 3.46Å
143	G	91.1	Very high	90	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-42.1	172.1	0	0	0	0	0	113.6	I139 K140 L141 S147	I139-G143 PolarHBondContact O-N 2.98Å; K140-G143 PolarHBondContact O-N 2.87Å; L141-G143 VanDerWaalsContact C-N 3.32Å; L141-G143 PolarHBondContact O-N 3.34Å; G143-S147 PolarHBondContact O-N 3.21Å; G143-S147 PolarHBondContact O-OG 2.86Å
144	F	94.1	Very high	90.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.8	-43.9	173.5	-86.7	-79.3	0	0	0	112.1	K140 L141 S147 S148 F157 L444 T445 P448 F449 I559 M562	K140-F144 HydrophobicContact CD-CE2 4.36Å; K140-F144 HydrophobicContact CG-CD2 3.91Å; K140-F144 HydrophobicContact CG-CE2 3.74Å; K140-F144 VanDerWaalsContact O-CD2 3.26Å; K140-F144 WeakPolarHBondContact O-CD2 3.33Å; K140-F144 PolarHBondContact O-N 2.97Å; L141-F144 PolarHBondContact O-N 3.18Å; F144-S147 PolarHBondContact O-N 2.88Å; F144-S148 VanDerWaalsContact O-CB 3.3Å; F144-S148 WeakPolarHBondContact O-CB 3.38Å; F144-S148 PolarHBondContact O-N 3.47Å; F144-S148 PolarHBondContact O-OG 2.76Å; F144-F157 HydrophobicContact CB-CD2 4.14Å; F144-F157 HydrophobicContact CB-CE2 3.91Å; F144-L444 HydrophobicContact CB-CD2 4.44Å; F144-L444 HydrophobicContact CD1-CB 4.31Å; F144-L444 HydrophobicContact CD1-CD2 3.71Å; F144-L444 HydrophobicContact CD1-CG 4.39Å; F144-L444 HydrophobicContact CD2-CD1 3.96Å; F144-L444 HydrophobicContact CD2-CD2 4.45Å; F144-L444 HydrophobicContact CE1-CB 3.69Å; F144-L444 HydrophobicContact CE1-CD1 4.44Å; F144-L444 HydrophobicContact CE1-CD2 4Å; F144-L444 HydrophobicContact CE1-CG 4.25Å; F144-L444 HydrophobicContact CE2-CB 4.35Å; F144-L444 HydrophobicContact CE2-CD1 3.95Å; F144-L444 HydrophobicContact CG-CD1 4.3Å; F144-L444 HydrophobicContact CG-CD2 3.96Å; F144-L444 HydrophobicContact CZ-CB 3.76Å; F144-L444 HydrophobicContact CZ-CD1 4.2Å; F144-L444 HydrophobicContact CZ-CG 4.4Å; F144-T445 WeakPolarHBondContact CE1-O 3.49Å; F144-P448 HydrophobicContact CD1-CG 4.42Å; F144-F449 AromaticContact CD1-CE2 3.51Å; F144-F449 HydrophobicContact CD1-CE2 3.51Å; F144-F449 AromaticContact CD1-CZ 3.79Å; F144-F449 HydrophobicContact CD1-CZ 3.79Å; F144-F449 HydrophobicContact CD2-CZ 4.44Å; F144-F449 AromaticContact CE1-CE2 3.44Å; F144-F449 HydrophobicContact CE1-CE2 3.44Å; F144-F449 VanDerWaalsContact CE1-CE2 3.44Å; F144-F449 HydrophobicContact CE1-CZ 4.05Å; F144-F449 HydrophobicContact CG-CE2 4.2Å; F144-F449 HydrophobicContact CG-CZ 4.01Å; F144-F449 AromaticContact CZ-CE2 4Å; F144-F449 HydrophobicContact CZ-CE2 4Å; F144-F449 HydrophobicContact CZ-CZ 4.4Å; F144-I559 HydrophobicContact CD2-CD1 3.84Å; F144-I559 HydrophobicContact CE2-CD1 3.8Å; F144-I559 HydrophobicContact CE2-CG1 4Å; F144-M562 HydrophobicContact CZ-CE 4.13Å; F144-M562 HydrophobicContact CZ-SD 4.27Å
145	L	94.3	Very high	90.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.3	-51.3	178	173.4	57.1	0	0	0	111.2	L141 A142 S147 S148 I149 F157 V185 K188 L189	L141-L145 WeakPolarHBondContact O-CB 3.41Å; L141-L145 PolarHBondContact O-N 3.24Å; A142-L145 PolarHBondContact O-N 3.34Å; L145-S147 VanDerWaalsContact C-N 3.27Å; L145-S147 PolarHBondContact O-N 3.5Å; L145-S148 CarbonylContact O-C 3.6Å; L145-S148 PolarHBondContact O-N 3.34Å; L145-S148 VanDerWaalsContact O-N 3.11Å; L145-I149 HydrophobicContact CD1-CD1 3.75Å; L145-I149 HydrophobicContact CD1-CG1 3.96Å; L145-I149 HydrophobicContact CG-CD1 3.88Å; L145-I149 HydrophobicContact CG-CG1 4.49Å; L145-I149 WeakPolarHBondContact O-CG1 3.49Å; L145-I149 PolarHBondContact O-N 3.5Å; L145-F157 HydrophobicContact CB-CD1 4.37Å; L145-F157 HydrophobicContact CB-CD2 4.42Å; L145-F157 HydrophobicContact CB-CE1 3.84Å; L145-F157 HydrophobicContact CB-CE2 3.91Å; L145-F157 HydrophobicContact CB-CZ 3.61Å; L145-F157 HydrophobicContact CD1-CD1 3.72Å; L145-F157 HydrophobicContact CD1-CE1 3.73Å; L145-F157 HydrophobicContact CD1-CG 4.36Å; L145-F157 HydrophobicContact CD1-CZ 4.39Å; L145-F157 HydrophobicContact CD2-CE1 4.28Å; L145-F157 HydrophobicContact CG-CE1 4.15Å; L145-F157 HydrophobicContact CG-CZ 4.4Å; L145-V185 HydrophobicContact CD2-CG1 3.96Å; L145-V185 VanDerWaalsContact CD2-O 3.23Å; L145-V185 WeakPolarHBondContact CD2-O 3.33Å; L145-K188 HydrophobicContact CD2-CB 3.51Å; L145-K188 HydrophobicContact CD2-CD 4.18Å; L145-K188 HydrophobicContact CG-CB 4.42Å; L145-L189 HydrophobicContact CD1-CD2 3.53Å; L145-L189 HydrophobicContact CD1-CG 3.82Å; L145-L189 HydrophobicContact CD2-CD2 4.48Å; L145-L189 HydrophobicContact CD2-CG 3.85Å
146	D	91.6	Very high	90.8	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	-59.1	-40.6	-178.7	-76.6	-37.6	0	0	0	111.8	A142 A150 K188 T553	A142-D146 PolarHBondContact O-N 2.87Å; D146-A150 WeakPolarHBondContact O-CB 3.37Å; D146-A150 PolarHBondContact O-N 2.94Å; D146-K188 IonicContact OD1-NZ 2.77Å; D146-K188 PolarHBondContact OD1-NZ 3.16Å; D146-K188 IonicContact OD2-NZ 2.86Å; D146-K188 PolarHBondContact OD2-NZ 3.01Å; D146-T553 VanDerWaalsContact OD2-CB 3.23Å; D146-T553 WeakPolarHBondContact OD2-CB 3.28Å; D146-T553 PolarHBondContact OD2-N 3.21Å; D146-T553 PolarHBondContact OD2-OG1 2.9Å
147	S	93.7	Very high	91.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-72.2	-35.8	175.9	-64.7	0	0	0	0	112.6	G143 F144 L145 A150 S151 F449	G143-S147 PolarHBondContact O-N 3.21Å; G143-S147 PolarHBondContact O-OG 2.86Å; F144-S147 PolarHBondContact O-N 2.88Å; L145-S147 VanDerWaalsContact C-N 3.27Å; L145-S147 PolarHBondContact O-N 3.5Å; S147-A150 PolarHBondContact O-N 2.88Å; S147-S151 VanDerWaalsContact O-CB 3.24Å; S147-S151 WeakPolarHBondContact O-CB 3.32Å; S147-S151 PolarHBondContact O-N 3.21Å; S147-S151 PolarHBondContact O-OG 3.42Å; S147-F449 WeakPolarHBondContact OG-CD1 3.47Å; S147-F449 WeakPolarHBondContact OG-CE1 3.35Å
148	S	94.1	Very high	91.4	Very high	1 Å²	1	23 Å²	23	1%	0.007	13%	0.133	C	C	.	.	H	α-helix	trans	-65.5	-37.9	172.9	-76.5	0	0	0	0	112	F144 L145 S151 G152 E153	F144-S148 VanDerWaalsContact O-CB 3.3Å; F144-S148 WeakPolarHBondContact O-CB 3.38Å; F144-S148 PolarHBondContact O-N 3.47Å; F144-S148 PolarHBondContact O-OG 2.76Å; L145-S148 CarbonylContact O-C 3.6Å; L145-S148 PolarHBondContact O-N 3.34Å; L145-S148 VanDerWaalsContact O-N 3.11Å; S148-S151 WeakPolarHBondContact CA-OG 3.27Å; S148-S151 PolarHBondContact O-N 3.31Å; S148-S151 PolarHBondContact O-OG 3.23Å; S148-G152 CarbonylContact O-C 3.56Å; S148-G152 PolarHBondContact O-N 3.41Å; S148-E153 PolarHBondContact O-N 3.35Å
149	I	92.6	Very high	91.4	Very high	44 Å²	44	28.4 Å²	28.4	23%	0.226	15%	0.153	C	C	.	.	H	α-helix	trans	-62.6	-51.3	172	-69.5	164	0	0	0	109.6	L145 S151 G152 V154 Y192	L145-I149 HydrophobicContact CD1-CD1 3.75Å; L145-I149 HydrophobicContact CD1-CG1 3.96Å; L145-I149 HydrophobicContact CG-CD1 3.88Å; L145-I149 HydrophobicContact CG-CG1 4.49Å; L145-I149 WeakPolarHBondContact O-CG1 3.49Å; L145-I149 PolarHBondContact O-N 3.5Å; I149-S151 PolarHBondContact O-N 3.24Å; I149-G152 PolarHBondContact O-N 3.4Å; I149-V154 HydrophobicContact CB-CG2 4.32Å; I149-V154 HydrophobicContact CG1-CG2 3.78Å; I149-Y192 HydrophobicContact CB-CD2 4.37Å; I149-Y192 HydrophobicContact CD1-CD2 4.42Å; I149-Y192 HydrophobicContact CD1-CG 4.3Å; I149-Y192 HydrophobicContact CG1-CD2 3.93Å; I149-Y192 HydrophobicContact CG1-CG 4.11Å; I149-Y192 HydrophobicContact CG2-CD2 3.68Å; I149-Y192 HydrophobicContact CG2-CE2 4.2Å
150	A	91	Very high	91.6	Very high	43 Å²	43	28.9 Å²	28.9	36%	0.355	16%	0.155	S	C	.	.	H	α-helix	trans	-62.1	-31.3	-178.8	0	0	0	0	0	113.2	D146 S147 I452	D146-A150 WeakPolarHBondContact O-CB 3.37Å; D146-A150 PolarHBondContact O-N 2.94Å; S147-A150 PolarHBondContact O-N 2.88Å; A150-I452 HydrophobicContact CB-CD1 4.12Å; A150-I452 HydrophobicContact CB-CG1 4.06Å
151	S	92.7	Very high	91.6	Very high	10 Å²	10	25.5 Å²	25.5	7%	0.07	14%	0.14	C	C	.	.	H	α-helix	trans	-97.9	-2.9	-178.1	63.1	0	0	0	0	114.5	S147 S148 I149 P448 K451	S147-S151 VanDerWaalsContact O-CB 3.24Å; S147-S151 WeakPolarHBondContact O-CB 3.32Å; S147-S151 PolarHBondContact O-N 3.21Å; S147-S151 PolarHBondContact O-OG 3.42Å; S148-S151 WeakPolarHBondContact CA-OG 3.27Å; S148-S151 PolarHBondContact O-N 3.31Å; S148-S151 PolarHBondContact O-OG 3.23Å; I149-S151 PolarHBondContact O-N 3.24Å; S151-P448 WeakPolarHBondContact CB-O 3.4Å; S151-P448 WeakPolarHBondContact OG-CB 3.42Å; S151-K451 VanDerWaalsContact O-CE 3.31Å; S151-K451 WeakPolarHBondContact O-CE 3.28Å; S151-K451 PolarHBondContact O-NZ 3.11Å
152	G	91.3	Very high	91.5	Very high	60 Å²	60	28 Å²	28	62%	0.619	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	24.4	-178.2	0	0	0	0	0	114.8	S148 I149	S148-G152 CarbonylContact O-C 3.56Å; S148-G152 PolarHBondContact O-N 3.41Å; I149-G152 PolarHBondContact O-N 3.4Å
153	E	91.8	Very high	91.4	Very high	23 Å²	23	31.1 Å²	31.1	11%	0.107	18%	0.175	C	C	.	.			trans	-104.1	21.6	-177.2	-60.8	-63.3	150.1	0	0	113	S148 F155 N156 F157 H439 Y447 K451	S148-E153 PolarHBondContact O-N 3.35Å; E153-F155 VanDerWaalsContact C-N 3.27Å; E153-F155 PolarHBondContact O-N 3.38Å; E153-N156 PolarHBondContact O-N 2.63Å; E153-N156 VanDerWaalsContact O-N 3.12Å; E153-N156 PolarHBondContact OE2-ND2 3.09Å; E153-F157 PolarHBondContact O-N 2.84Å; E153-H439 IonicContact OE2-CD2 2.74Å; E153-Y447 HydrophobicContact CG-CD1 4.35Å; E153-Y447 HydrophobicContact CG-CE1 4.05Å; E153-K451 IonicContact OE1-NZ 3.63Å; E153-K451 PolarHBondContact OE1-NZ 3.18Å
154	V	91.4	Very high	91.3	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-57.6	-37.5	-175.9	-178	0	0	0	0	112.3	I149 N156 F157 L158 L189 Y192	I149-V154 HydrophobicContact CB-CG2 4.32Å; I149-V154 HydrophobicContact CG1-CG2 3.78Å; V154-N156 VanDerWaalsContact C-N 3.33Å; V154-N156 PolarHBondContact O-N 2.91Å; V154-F157 WeakPolarHBondContact O-CB 3.45Å; V154-F157 PolarHBondContact O-N 2.96Å; V154-F157 VanDerWaalsContact O-N 3.14Å; V154-L158 HydrophobicContact CG1-CD1 4.19Å; V154-L158 HydrophobicContact CG1-CG 4.3Å; V154-L158 WeakPolarHBondContact O-CG 3.48Å; V154-L158 PolarHBondContact O-N 3.48Å; V154-L189 HydrophobicContact CG1-CD2 3.98Å; V154-Y192 HydrophobicContact CB-CE1 4.31Å; V154-Y192 HydrophobicContact CG1-CD1 4.27Å; V154-Y192 HydrophobicContact CG1-CE1 3.93Å; V154-Y192 HydrophobicContact CG2-CE1 4.1Å; V154-Y192 HydrophobicContact CG2-CE2 4.11Å
155	F	90.1	Very high	91.1	Very high	137 Å²	137	32.3 Å²	32.3	60%	0.601	18%	0.18	S	C	*	.	H	α-helix	trans	-60.6	-40.5	177.8	179.6	-103.8	0	0	0	113	E153 F157 L158 R159	E153-F155 VanDerWaalsContact C-N 3.27Å; E153-F155 PolarHBondContact O-N 3.38Å; F155-F157 VanDerWaalsContact C-N 3.32Å; F155-L158 PolarHBondContact O-N 3.35Å; F155-R159 HydrophobicContact CE1-CG 4.34Å; F155-R159 VanDerWaalsContact CE1-CZ 3.48Å; F155-R159 HydrophobicContact CZ-CG 4.33Å; F155-R159 PolarHBondContact O-N 3.11Å; F155-R159 VanDerWaalsContact O-N 3.14Å
156	N	89.9	Confident	90.8	Very high	19 Å²	19	39.6 Å²	39.6	10%	0.102	21%	0.212	C	C	.	.	H	α-helix	trans	-67.8	-36.3	176.6	-70.3	-38.9	0	0	0	111.4	E153 V154 R159 F160	E153-N156 PolarHBondContact O-N 2.63Å; E153-N156 VanDerWaalsContact O-N 3.12Å; E153-N156 PolarHBondContact OE2-ND2 3.09Å; V154-N156 VanDerWaalsContact C-N 3.33Å; V154-N156 PolarHBondContact O-N 2.91Å; N156-R159 PolarHBondContact OD1-NH2 2.99Å; N156-F160 PolarHBondContact O-N 3.45Å
157	F	91.6	Very high	90.7	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-44.3	173.6	-177.5	-94.3	0	0	0	112.1	L141 F144 L145 E153 V154 F155 R159 F160 C161 V185 L189	L141-F157 HydrophobicContact CB-CZ 4.41Å; L141-F157 WeakPolarHBondContact O-CE2 3.45Å; F144-F157 HydrophobicContact CB-CD2 4.14Å; F144-F157 HydrophobicContact CB-CE2 3.91Å; L145-F157 HydrophobicContact CB-CD1 4.37Å; L145-F157 HydrophobicContact CB-CD2 4.42Å; L145-F157 HydrophobicContact CB-CE1 3.84Å; L145-F157 HydrophobicContact CB-CE2 3.91Å; L145-F157 HydrophobicContact CB-CZ 3.61Å; L145-F157 HydrophobicContact CD1-CD1 3.72Å; L145-F157 HydrophobicContact CD1-CE1 3.73Å; L145-F157 HydrophobicContact CD1-CG 4.36Å; L145-F157 HydrophobicContact CD1-CZ 4.39Å; L145-F157 HydrophobicContact CD2-CE1 4.28Å; L145-F157 HydrophobicContact CG-CE1 4.15Å; L145-F157 HydrophobicContact CG-CZ 4.4Å; E153-F157 PolarHBondContact O-N 2.84Å; V154-F157 WeakPolarHBondContact O-CB 3.45Å; V154-F157 PolarHBondContact O-N 2.96Å; V154-F157 VanDerWaalsContact O-N 3.14Å; F155-F157 VanDerWaalsContact C-N 3.32Å; F157-R159 PolarHBondContact O-N 3.45Å; F157-F160 WeakPolarHBondContact O-CA 3.3Å; F157-F160 WeakPolarHBondContact O-CB 3.48Å; F157-F160 PolarHBondContact O-N 2.92Å; F157-F160 VanDerWaalsContact O-N 3.08Å; F157-C161 WeakPolarHBondContact CE1-SG 3.26Å; F157-C161 PolarHBondContact O-N 3.4Å; F157-C161 PolarHBondContact O-SG 3.45Å; F157-V185 HydrophobicContact CE1-CG1 4.04Å; F157-V185 HydrophobicContact CZ-CG1 3.98Å; F157-L189 HydrophobicContact CE1-CD1 4.38Å
158	L	90.3	Very high	90.4	Very high	28 Å²	28	41.2 Å²	41.2	15%	0.147	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-41.2	177.8	-69	171.5	0	0	0	112.5	V154 F155 F160 C161 D162 L189 Y193	V154-L158 HydrophobicContact CG1-CD1 4.19Å; V154-L158 HydrophobicContact CG1-CG 4.3Å; V154-L158 WeakPolarHBondContact O-CG 3.48Å; V154-L158 PolarHBondContact O-N 3.48Å; F155-L158 PolarHBondContact O-N 3.35Å; L158-F160 PolarHBondContact O-N 3.11Å; L158-C161 WeakPolarHBondContact O-CB 3.38Å; L158-C161 PolarHBondContact O-N 3.49Å; L158-C161 VanDerWaalsContact O-N 3.12Å; L158-D162 PolarHBondContact O-N 3.39Å; L158-L189 HydrophobicContact CD2-CD1 3.89Å; L158-L189 HydrophobicContact CD2-CD2 4.07Å; L158-Y193 WeakPolarHBondContact CD1-OH 3.37Å
159	R	88.8	Confident	90	Very high	113 Å²	113	45.8 Å²	45.8	43%	0.426	24%	0.241	S	C	.	.	H	α-helix	trans	-59.8	-37	173	-74.3	-165.1	-77.6	173.1	-6.5	112.2	F155 N156 F157 S163	F155-R159 HydrophobicContact CE1-CG 4.34Å; F155-R159 VanDerWaalsContact CE1-CZ 3.48Å; F155-R159 HydrophobicContact CZ-CG 4.33Å; F155-R159 PolarHBondContact O-N 3.11Å; F155-R159 VanDerWaalsContact O-N 3.14Å; N156-R159 PolarHBondContact OD1-NH2 2.99Å; F157-R159 PolarHBondContact O-N 3.45Å; R159-S163 PolarHBondContact O-N 3.24Å
160	F	89.8	Confident	89.7	Confident	40 Å²	40	46.6 Å²	46.6	18%	0.175	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-42.8	173.8	177.5	-93.8	0	0	0	111.6	L141 N156 F157 L158 D162 S163 V164 L444	L141-F160 HydrophobicContact CD2-CD1 4.3Å; L141-F160 HydrophobicContact CD2-CE1 3.56Å; L141-F160 HydrophobicContact CD2-CZ 4.48Å; N156-F160 PolarHBondContact O-N 3.45Å; F157-F160 WeakPolarHBondContact O-CA 3.3Å; F157-F160 WeakPolarHBondContact O-CB 3.48Å; F157-F160 PolarHBondContact O-N 2.92Å; F157-F160 VanDerWaalsContact O-N 3.08Å; L158-F160 PolarHBondContact O-N 3.11Å; F160-D162 VanDerWaalsContact C-N 3.31Å; F160-D162 PolarHBondContact O-N 3.2Å; F160-S163 WeakPolarHBondContact O-CA 3.16Å; F160-S163 WeakPolarHBondContact O-CB 3.36Å; F160-S163 PolarHBondContact O-N 2.91Å; F160-V164 HydrophobicContact CD1-CG2 3.89Å; F160-V164 HydrophobicContact CE1-CG2 3.31Å; F160-V164 HydrophobicContact CE2-CG2 4.28Å; F160-V164 HydrophobicContact CZ-CG2 3.55Å; F160-V164 WeakPolarHBondContact O-CG2 3.31Å; F160-V164 PolarHBondContact O-N 2.99Å; F160-L444 HydrophobicContact CD1-CD1 4.2Å; F160-L444 HydrophobicContact CD1-CD2 4.05Å; F160-L444 HydrophobicContact CD1-CG 4.24Å; F160-L444 HydrophobicContact CD2-CD1 4.43Å; F160-L444 HydrophobicContact CD2-CD2 4.26Å; F160-L444 HydrophobicContact CD2-CG 3.93Å; F160-L444 HydrophobicContact CE1-CD1 3.63Å; F160-L444 HydrophobicContact CE1-CD2 4.33Å; F160-L444 HydrophobicContact CE1-CG 4.1Å; F160-L444 HydrophobicContact CE2-CD1 3.88Å; F160-L444 HydrophobicContact CE2-CG 3.78Å; F160-L444 HydrophobicContact CG-CD2 4.01Å; F160-L444 HydrophobicContact CG-CG 4.16Å; F160-L444 HydrophobicContact CZ-CD1 3.45Å; F160-L444 VanDerWaalsContact CZ-CD1 3.45Å; F160-L444 HydrophobicContact CZ-CG 3.88Å
161	C	89.9	Confident	89.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.9	-40.3	174.7	-66.1	0	0	0	0	112.7	F157 L158 S163 V164 F165 I180	F157-C161 WeakPolarHBondContact CE1-SG 3.26Å; F157-C161 PolarHBondContact O-N 3.4Å; F157-C161 PolarHBondContact O-SG 3.45Å; L158-C161 WeakPolarHBondContact O-CB 3.38Å; L158-C161 PolarHBondContact O-N 3.49Å; L158-C161 VanDerWaalsContact O-N 3.12Å; C161-S163 VanDerWaalsContact C-N 3.3Å; C161-S163 PolarHBondContact O-N 2.98Å; C161-V164 WeakPolarHBondContact O-CB 3.32Å; C161-V164 PolarHBondContact O-N 2.88Å; C161-V164 VanDerWaalsContact O-N 3.15Å; C161-F165 PolarHBondContact O-N 2.95Å; C161-I180 HydrophobicContact CB-CD1 3.8Å
162	D	89.7	Confident	88.9	Confident	52 Å²	52	51 Å²	51	28%	0.278	27%	0.265	S	S	.	.	H	α-helix	trans	-61.3	-38.3	173.9	-75.5	-42.2	0	0	0	112.6	L158 F160 K166 R208 R211	L158-D162 PolarHBondContact O-N 3.39Å; F160-D162 VanDerWaalsContact C-N 3.31Å; F160-D162 PolarHBondContact O-N 3.2Å; D162-K166 WeakPolarHBondContact O-CG 3.49Å; D162-K166 PolarHBondContact O-N 3.4Å; D162-K166 VanDerWaalsContact O-N 3.16Å; D162-R208 IonicContact OD1-CZ 3.84Å; D162-R208 IonicContact OD1-NH1 3.12Å; D162-R208 PolarHBondContact OD1-NH1 3.25Å; D162-R208 IonicContact OD1-NH2 3.12Å; D162-R208 PolarHBondContact OD1-NH2 2.92Å; D162-R208 IonicContact OD2-NH2 3.35Å; D162-R208 PolarHBondContact OD2-NH2 3.49Å; D162-R208 VanDerWaalsContact OD2-NH2 3.12Å; D162-R211 IonicContact OD1-NH2 3.08Å; D162-R211 PolarHBondContact OD1-NH2 3.49Å
163	S	89.1	Confident	88.6	Confident	67 Å²	67	48.1 Å²	48.1	47%	0.469	24%	0.236	S	C	.	.	H	α-helix	trans	-67.3	-37.5	174	-172.4	0	0	0	0	112	R159 F160 C161 K166 E167	R159-S163 PolarHBondContact O-N 3.24Å; F160-S163 WeakPolarHBondContact O-CA 3.16Å; F160-S163 WeakPolarHBondContact O-CB 3.36Å; F160-S163 PolarHBondContact O-N 2.91Å; C161-S163 VanDerWaalsContact C-N 3.3Å; C161-S163 PolarHBondContact O-N 2.98Å; S163-K166 PolarHBondContact O-N 3.18Å; S163-E167 WeakPolarHBondContact O-CB 3.36Å; S163-E167 PolarHBondContact O-N 3.25Å
164	V	89.5	Confident	88.2	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-44.3	178.3	169.6	0	0	0	0	111	F137 F160 C161 K166 E167 S168 H178 I180	F137-V164 HydrophobicContact CE1-CG1 3.71Å; F137-V164 HydrophobicContact CZ-CB 4.42Å; F137-V164 HydrophobicContact CZ-CG1 3.56Å; F137-V164 HydrophobicContact CZ-CG2 3.89Å; F160-V164 HydrophobicContact CD1-CG2 3.89Å; F160-V164 HydrophobicContact CE1-CG2 3.31Å; F160-V164 HydrophobicContact CE2-CG2 4.28Å; F160-V164 HydrophobicContact CZ-CG2 3.55Å; F160-V164 WeakPolarHBondContact O-CG2 3.31Å; F160-V164 PolarHBondContact O-N 2.99Å; C161-V164 WeakPolarHBondContact O-CB 3.32Å; C161-V164 PolarHBondContact O-N 2.88Å; C161-V164 VanDerWaalsContact O-N 3.15Å; V164-K166 VanDerWaalsContact C-N 3.34Å; V164-K166 PolarHBondContact O-N 3.5Å; V164-E167 CarbonylContact O-C 3.54Å; V164-E167 PolarHBondContact O-N 2.96Å; V164-S168 WeakPolarHBondContact O-CB 3.46Å; V164-S168 PolarHBondContact O-N 3.23Å; V164-H178 HydrophobicContact CG1-CB 4.18Å; V164-I180 HydrophobicContact CB-CD1 4.28Å; V164-I180 HydrophobicContact CG1-CD1 4.01Å; V164-I180 HydrophobicContact CG1-CG1 3.91Å
165	F	89.2	Confident	87.8	Confident	23 Å²	23	53.9 Å²	53.9	10%	0.101	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-39.7	176.6	176.6	-117.8	0	0	0	111.9	F91 C161 E167 S168 E212	F91-F165 HydrophobicContact CE2-CD2 4.29Å; F91-F165 HydrophobicContact CE2-CE2 4.13Å; C161-F165 PolarHBondContact O-N 2.95Å; F165-E167 PolarHBondContact O-N 2.59Å; F165-S168 PolarHBondContact O-N 3.03Å; F165-S168 PolarHBondContact O-OG 3.22Å; F165-E212 HydrophobicContact CD1-CG 4.35Å; F165-E212 HydrophobicContact CD2-CB 4.14Å; F165-E212 HydrophobicContact CD2-CG 3.46Å; F165-E212 VanDerWaalsContact CD2-CG 3.46Å; F165-E212 HydrophobicContact CE1-CG 4.36Å; F165-E212 HydrophobicContact CE2-CB 3.86Å; F165-E212 HydrophobicContact CE2-CG 3.5Å; F165-E212 HydrophobicContact CG-CG 3.91Å; F165-E212 HydrophobicContact CZ-CB 4.48Å; F165-E212 HydrophobicContact CZ-CG 3.96Å
166	K	89.5	Confident	87.5	Confident	152 Å²	152	53.2 Å²	53.2	66%	0.661	25%	0.249	S	C	*	.	H	α-helix	trans	-64.6	-39.6	172.6	-69.8	175.9	-176.8	-176.2	0	112.2	D162 S163 V164	D162-K166 WeakPolarHBondContact O-CG 3.49Å; D162-K166 PolarHBondContact O-N 3.4Å; D162-K166 VanDerWaalsContact O-N 3.16Å; S163-K166 PolarHBondContact O-N 3.18Å; V164-K166 VanDerWaalsContact C-N 3.34Å; V164-K166 PolarHBondContact O-N 3.5Å
167	E	89.2	Confident	87.2	Confident	39 Å²	39	52.3 Å²	52.3	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-71	-32.4	178	-165.8	179.5	-176.7	0	0	111.9	S163 V164 F165 Q169 T170 K172 G173 R176 H178	S163-E167 WeakPolarHBondContact O-CB 3.36Å; S163-E167 PolarHBondContact O-N 3.25Å; V164-E167 CarbonylContact O-C 3.54Å; V164-E167 PolarHBondContact O-N 2.96Å; F165-E167 PolarHBondContact O-N 2.59Å; E167-Q169 PolarHBondContact O-N 3.08Å; E167-T170 WeakPolarHBondContact O-CB 3.28Å; E167-T170 PolarHBondContact O-N 3.03Å; E167-T170 PolarHBondContact O-OG1 3.48Å; E167-K172 VanDerWaalsContact OE1-CE 3.32Å; E167-K172 WeakPolarHBondContact OE1-CE 3.31Å; E167-K172 IonicContact OE1-NZ 3.8Å; E167-G173 VanDerWaalsContact O-CA 3.22Å; E167-G173 WeakPolarHBondContact O-CA 3.47Å; E167-G173 PolarHBondContact O-N 3.02Å; E167-R176 IonicContact OE1-NH1 3.29Å; E167-R176 PolarHBondContact OE1-NH1 2.89Å; E167-R176 VanDerWaalsContact OE1-NH1 3.08Å; E167-H178 IonicContact OE1-CE1 3.68Å; E167-H178 IonicContact OE1-ND1 3.91Å; E167-H178 IonicContact OE2-CE1 3.14Å; E167-H178 PolarHBondContact OE2-CE1 3.48Å; E167-H178 IonicContact OE2-ND1 3.13Å; E167-H178 PolarHBondContact OE2-ND1 3.41Å; E167-H178 VanDerWaalsContact OE2-ND1 3.13Å
168	S	87.6	Confident	87.1	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-62.6	-27.8	-178.4	70.2	0	0	0	0	113.4	F91 V164 F165 T170 H178	F91-S168 WeakPolarHBondContact CZ-OG 3.48Å; V164-S168 WeakPolarHBondContact O-CB 3.46Å; V164-S168 PolarHBondContact O-N 3.23Å; F165-S168 PolarHBondContact O-N 3.03Å; F165-S168 PolarHBondContact O-OG 3.22Å; S168-T170 PolarHBondContact O-N 3.46Å; S168-H178 WeakPolarHBondContact CB-O 3.42Å
169	Q	84.2	Confident	87	Confident	96 Å²	96	52.3 Å²	52.3	45%	0.449	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-3.7	174	-63.3	179.6	-33.3	0	0	113.2	N95 E167	N95-Q169 PolarHBondContact OD1-NE2 3.39Å; N95-Q169 VanDerWaalsContact OD1-NE2 3.1Å; E167-Q169 PolarHBondContact O-N 3.08Å
170	T	87.4	Confident	87	Confident	61 Å²	61	47 Å²	47	37%	0.374	22%	0.224	S	C	.	.	S	Bend	trans	-100	154.5	176.7	74.5	0	0	0	0	111.5	E167 S168 K172 G173 F174	E167-T170 WeakPolarHBondContact O-CB 3.28Å; E167-T170 PolarHBondContact O-N 3.03Å; E167-T170 PolarHBondContact O-OG1 3.48Å; S168-T170 PolarHBondContact O-N 3.46Å; T170-K172 PolarHBondContact O-N 3.39Å; T170-K172 VanDerWaalsContact O-N 3.07Å; T170-K172 PolarHBondContact OG1-N 3.48Å; T170-G173 PolarHBondContact O-N 3.42Å; T170-G173 VanDerWaalsContact O-N 3.1Å; T170-G173 PolarHBondContact OG1-N 3.12Å; T170-G173 VanDerWaalsContact OG1-N 3.16Å; T170-F174 WeakPolarHBondContact O-CB 3.32Å; T170-F174 PolarHBondContact O-N 2.91Å
171	A	81.7	Confident	86.8	Confident	39 Å²	39	45.2 Å²	45.2	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-55.4	-31.6	174.9	0	0	0	0	0	112.7	L57 R175	L57-A171 HydrophobicContact CB-CB 4.24Å; L57-A171 HydrophobicContact CD2-CB 4.35Å; A171-R175 WeakPolarHBondContact O-CB 3.38Å; A171-R175 VanDerWaalsContact O-CG 3.28Å; A171-R175 WeakPolarHBondContact O-CG 3.33Å; A171-R175 PolarHBondContact O-N 3.05Å; A171-R175 PolarHBondContact O-NE 2.73Å
172	K	84.4	Confident	86.5	Confident	107 Å²	107	45.5 Å²	45.5	47%	0.465	22%	0.219	S	C	.	.	H	α-helix	trans	-68.8	-49.8	176.6	-178.5	-178	170.8	-169.7	0	112.3	E167 T170 R175 R176	E167-K172 VanDerWaalsContact OE1-CE 3.32Å; E167-K172 WeakPolarHBondContact OE1-CE 3.31Å; E167-K172 IonicContact OE1-NZ 3.8Å; T170-K172 PolarHBondContact O-N 3.39Å; T170-K172 VanDerWaalsContact O-N 3.07Å; T170-K172 PolarHBondContact OG1-N 3.48Å; K172-R175 PolarHBondContact O-N 3.34Å; K172-R176 VanDerWaalsContact CE-CZ 3.41Å; K172-R176 WeakPolarHBondContact O-CG 3.3Å; K172-R176 PolarHBondContact O-N 3.09Å; K172-R176 VanDerWaalsContact O-N 3.16Å
173	G	84.6	Confident	86.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.5	-37.7	179.4	0	0	0	0	0	112.4	E167 T170 R176 G177 H178	E167-G173 VanDerWaalsContact O-CA 3.22Å; E167-G173 WeakPolarHBondContact O-CA 3.47Å; E167-G173 PolarHBondContact O-N 3.02Å; T170-G173 PolarHBondContact O-N 3.42Å; T170-G173 VanDerWaalsContact O-N 3.1Å; T170-G173 PolarHBondContact OG1-N 3.12Å; T170-G173 VanDerWaalsContact OG1-N 3.16Å; G173-R176 CarbonylContact O-C 3.17Å; G173-R176 PolarHBondContact O-N 3.01Å; G173-G177 PolarHBondContact O-N 3.38Å; G173-H178 PolarHBondContact O-N 3.18Å
174	F	84.4	Confident	85.9	Confident	15 Å²	15	43 Å²	43	7%	0.066	20%	0.202	C	C	.	.	H	α-helix	trans	-58	-51.5	171.3	-176.9	-88.9	0	0	0	111.4	L57 N60 A61 L64 W92 F96 Q130 T170 R176 G177	L57-F174 HydrophobicContact CD1-CB 3.29Å; L57-F174 HydrophobicContact CD1-CD1 3.56Å; L57-F174 HydrophobicContact CD1-CD2 3.55Å; L57-F174 HydrophobicContact CD1-CE1 4.2Å; L57-F174 HydrophobicContact CD1-CE2 4.18Å; L57-F174 HydrophobicContact CD1-CG 3.18Å; L57-F174 HydrophobicContact CD1-CZ 4.45Å; N60-F174 HydrophobicContact CB-CE1 3.72Å; N60-F174 HydrophobicContact CB-CZ 4.02Å; A61-F174 HydrophobicContact CB-CE2 3.77Å; A61-F174 HydrophobicContact CB-CZ 4.04Å; L64-F174 HydrophobicContact CD1-CE1 4.09Å; L64-F174 HydrophobicContact CD1-CE2 4.06Å; L64-F174 HydrophobicContact CD1-CZ 3.39Å; L64-F174 HydrophobicContact CG-CZ 4.39Å; W92-F174 AromaticContact CD1-CE2 3.95Å; W92-F174 AromaticContact NE1-CE2 3.64Å; F96-F174 HydrophobicContact CE2-CD2 4.33Å; F96-F174 HydrophobicContact CZ-CD2 4.38Å; Q130-F174 PolarHBondContact NE2-O 3.25Å; T170-F174 WeakPolarHBondContact O-CB 3.32Å; T170-F174 PolarHBondContact O-N 2.91Å; F174-R176 PolarHBondContact O-N 3.33Å; F174-R176 VanDerWaalsContact O-N 3.14Å; F174-G177 PolarHBondContact O-N 3.08Å
175	R	82.8	Confident	86	Confident	135 Å²	135	42.9 Å²	42.9	51%	0.509	20%	0.201	S	C	.	.	H	α-helix	trans	-60	-27.1	177.4	-77.4	-172.3	-65	-125.4	2.8	114	K133 A171 K172	K133-R175 WeakPolarHBondContact CD-O 3.42Å; K133-R175 PolarHBondContact NZ-O 3.32Å; A171-R175 WeakPolarHBondContact O-CB 3.38Å; A171-R175 VanDerWaalsContact O-CG 3.28Å; A171-R175 WeakPolarHBondContact O-CG 3.33Å; A171-R175 PolarHBondContact O-N 3.05Å; A171-R175 PolarHBondContact O-NE 2.73Å; K172-R175 PolarHBondContact O-N 3.34Å
176	R	83.9	Confident	86.2	Confident	123 Å²	123	41.8 Å²	41.8	46%	0.464	20%	0.196	S	C	.	.	H	α-helix	trans	-86.5	-9.8	176.9	-72.1	175.7	166.9	-171	-14.5	114	E167 K172 G173 F174 H178	E167-R176 IonicContact OE1-NH1 3.29Å; E167-R176 PolarHBondContact OE1-NH1 2.89Å; E167-R176 VanDerWaalsContact OE1-NH1 3.08Å; K172-R176 VanDerWaalsContact CE-CZ 3.41Å; K172-R176 WeakPolarHBondContact O-CG 3.3Å; K172-R176 PolarHBondContact O-N 3.09Å; K172-R176 VanDerWaalsContact O-N 3.16Å; G173-R176 CarbonylContact O-C 3.17Å; G173-R176 PolarHBondContact O-N 3.01Å; F174-R176 PolarHBondContact O-N 3.33Å; F174-R176 VanDerWaalsContact O-N 3.14Å; R176-H178 WeakPolarHBondContact CB-NE2 3.44Å
177	G	84	Confident	86.3	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.01	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	26.4	-177.2	0	0	0	0	0	114	N134 G173 F174 I179	N134-G177 WeakPolarHBondContact CA-O 3.45Å; N134-G177 PolarHBondContact ND2-O 3.39Å; G173-G177 PolarHBondContact O-N 3.38Å; F174-G177 PolarHBondContact O-N 3.08Å; G177-I179 PolarHBondContact O-N 2.73Å
178	H	89.1	Confident	86.3	Confident	22 Å²	22	35.4 Å²	35.4	10%	0.102	17%	0.168	C	C	.	.			trans	-69.4	87.3	178.3	-70.8	-174.2	0	0	0	110.5	F137 V164 E167 S168 G173 R176	F137-H178 AromaticContact CD2-CD2 3.82Å; F137-H178 HydrophobicContact CE1-CB 4.26Å; F137-H178 AromaticContact CE2-CD2 3.64Å; F137-H178 AromaticContact CE2-NE2 3.86Å; F137-H178 HydrophobicContact CZ-CB 4.35Å; F137-H178 AromaticContact CZ-CD2 3.89Å; V164-H178 HydrophobicContact CG1-CB 4.18Å; E167-H178 IonicContact OE1-CE1 3.68Å; E167-H178 IonicContact OE1-ND1 3.91Å; E167-H178 IonicContact OE2-CE1 3.14Å; E167-H178 PolarHBondContact OE2-CE1 3.48Å; E167-H178 IonicContact OE2-ND1 3.13Å; E167-H178 PolarHBondContact OE2-ND1 3.41Å; E167-H178 VanDerWaalsContact OE2-ND1 3.13Å; S168-H178 WeakPolarHBondContact CB-O 3.42Å; G173-H178 PolarHBondContact O-N 3.18Å; R176-H178 WeakPolarHBondContact CB-NE2 3.44Å
179	I	88.8	Confident	86.6	Confident	7 Å²	7	35.3 Å²	35.3	4%	0.036	17%	0.167	C	C	.	.			trans	-135.7	132.8	168.2	-50.7	166.5	0	0	0	105.8	F91 W92 N134 N138 G177	F91-I179 HydrophobicContact CB-CG2 3.83Å; F91-I179 HydrophobicContact CD1-CB 4.42Å; F91-I179 HydrophobicContact CD1-CD1 3.61Å; F91-I179 HydrophobicContact CD1-CG1 3.71Å; F91-I179 HydrophobicContact CD1-CG2 3.88Å; F91-I179 HydrophobicContact CD2-CG2 3.65Å; F91-I179 HydrophobicContact CE1-CD1 4.17Å; F91-I179 HydrophobicContact CE1-CG1 3.87Å; F91-I179 HydrophobicContact CE1-CG2 4.42Å; F91-I179 HydrophobicContact CE2-CG2 4.21Å; F91-I179 HydrophobicContact CG-CB 4.46Å; F91-I179 HydrophobicContact CG-CD1 4.21Å; F91-I179 HydrophobicContact CG-CG1 4.24Å; F91-I179 HydrophobicContact CG-CG2 3.47Å; F91-I179 VanDerWaalsContact CG-CG2 3.47Å; F91-I179 HydrophobicContact CZ-CG1 4.49Å; W92-I179 HydrophobicContact CZ2-CD1 4.14Å; N134-I179 VanDerWaalsContact ND2-CB 3.3Å; N134-I179 WeakPolarHBondContact ND2-CB 3.37Å; N134-I179 PolarHBondContact ND2-N 2.79Å; N134-I179 PolarHBondContact ND2-O 2.78Å; N134-I179 VanDerWaalsContact ND2-O 3.09Å; N138-I179 PolarHBondContact ND2-O 3.17Å; N138-I179 PolarHBondContact OD1-O 2.55Å; G177-I179 PolarHBondContact O-N 2.73Å
180	I	89.1	Confident	87.1	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.01	15%	0.146	C	C	.	.			trans	-87.8	119	-180	-58.3	177.9	0	0	0	108.5	N138 L141 C161 V164 V185 Y186 L214	N138-I180 WeakPolarHBondContact OD1-CA 3.14Å; L141-I180 HydrophobicContact CD1-CD1 4.4Å; L141-I180 HydrophobicContact CD1-CG1 3.92Å; C161-I180 HydrophobicContact CB-CD1 3.8Å; V164-I180 HydrophobicContact CB-CD1 4.28Å; V164-I180 HydrophobicContact CG1-CD1 4.01Å; V164-I180 HydrophobicContact CG1-CG1 3.91Å; I180-V185 HydrophobicContact CG2-CB 3.61Å; I180-V185 HydrophobicContact CG2-CG1 3.77Å; I180-V185 HydrophobicContact CG2-CG2 3.99Å; I180-Y186 HydrophobicContact CB-CE2 4.09Å; I180-Y186 HydrophobicContact CG2-CD1 4.35Å; I180-Y186 HydrophobicContact CG2-CD2 4.28Å; I180-Y186 HydrophobicContact CG2-CE1 3.84Å; I180-Y186 HydrophobicContact CG2-CE2 3.76Å; I180-L214 VanDerWaalsContact O-CD1 3.28Å; I180-L214 WeakPolarHBondContact O-CD1 3.3Å
181	Q	84.8	Confident	87.2	Confident	2 Å²	2	28.6 Å²	28.6	1%	0.009	13%	0.132	C	C	.	.			trans	-81.2	129.2	-179.8	-72.9	-178	7.5	0	0	111.3	I84 N134 N138 S183 M184 V185	I84-Q181 VanDerWaalsContact CG2-NE2 3.31Å; N134-Q181 PolarHBondContact OD1-NE2 3.27Å; N138-Q181 HydrophobicContact CB-CB 4.46Å; N138-Q181 HydrophobicContact CB-CG 4.39Å; N138-Q181 PolarHBondContact OD1-N 3.22Å; Q181-S183 PolarHBondContact O-N 3.03Å; Q181-M184 HydrophobicContact CB-CB 4.25Å; Q181-M184 HydrophobicContact CB-CG 4.34Å; Q181-M184 PolarHBondContact O-N 3.24Å; Q181-M184 PolarHBondContact OE1-SD 3.22Å; Q181-V185 PolarHBondContact O-N 3.12Å
182	T	82.5	Confident	87.7	Confident	7 Å²	7	29.8 Å²	29.8	4%	0.043	13%	0.129	C	C	.	.	I	π-helix	trans	-54.9	-50.8	179.5	-49.5	0	0	0	0	112.1	M184 Y186 E187 I209 L215	T182-M184 PolarHBondContact O-N 2.79Å; T182-Y186 PolarHBondContact O-N 3.02Å; T182-Y186 VanDerWaalsContact O-N 3.14Å; T182-E187 WeakPolarHBondContact O-CB 3.26Å; T182-E187 PolarHBondContact O-N 3.01Å; T182-I209 HydrophobicContact CG2-CD1 4.28Å; T182-L215 WeakPolarHBondContact CG2-O 3.28Å; T182-L215 PolarHBondContact OG1-O 3.38Å
183	S	82.7	Confident	88.1	Confident	31 Å²	31	25.8 Å²	25.8	22%	0.217	11%	0.111	C	C	.	.	I	π-helix	trans	-72.4	-12.6	-174.2	57.2	0	0	0	0	115.6	K83 Q181	K83-S183 VanDerWaalsContact CE-OG 3.3Å; K83-S183 WeakPolarHBondContact CE-OG 2.81Å; Q181-S183 PolarHBondContact O-N 3.03Å
184	M	83.5	Confident	88.4	Confident	35 Å²	35	25.8 Å²	25.8	17%	0.172	11%	0.111	C	C	.	.	I	π-helix	trans	-104	-36.1	-179.5	-65.7	-167.8	69	0	0	112.4	F135 N138 I139 Q181 T182 K188	F135-M184 HydrophobicContact CD2-SD 4.29Å; F135-M184 HydrophobicContact CE2-CE 4.5Å; F135-M184 HydrophobicContact CE2-SD 4.37Å; N138-M184 HydrophobicContact CB-CB 4.42Å; N138-M184 HydrophobicContact CB-CE 4.37Å; N138-M184 HydrophobicContact CB-SD 3.83Å; I139-M184 HydrophobicContact CB-CE 4.3Å; I139-M184 HydrophobicContact CG1-CE 3.44Å; I139-M184 VanDerWaalsContact CG1-CE 3.44Å; Q181-M184 HydrophobicContact CB-CB 4.25Å; Q181-M184 HydrophobicContact CB-CG 4.34Å; Q181-M184 PolarHBondContact O-N 3.24Å; Q181-M184 PolarHBondContact OE1-SD 3.22Å; T182-M184 PolarHBondContact O-N 2.79Å; M184-K188 WeakPolarHBondContact O-CD 3.41Å; M184-K188 VanDerWaalsContact O-CE 3.3Å; M184-K188 WeakPolarHBondContact O-CE 3.41Å
185	V	91.6	Very high	88.5	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	12%	0.12	C	C	.	.	I	π-helix	trans	-116.4	-53.6	-172.3	-177.1	0	0	0	0	111.3	L141 L145 F157 I180 Q181 E187 K188 L189	L141-V185 HydrophobicContact CB-CG2 3.89Å; L145-V185 HydrophobicContact CD2-CG1 3.96Å; L145-V185 VanDerWaalsContact CD2-O 3.23Å; L145-V185 WeakPolarHBondContact CD2-O 3.33Å; F157-V185 HydrophobicContact CE1-CG1 4.04Å; F157-V185 HydrophobicContact CZ-CG1 3.98Å; I180-V185 HydrophobicContact CG2-CB 3.61Å; I180-V185 HydrophobicContact CG2-CG1 3.77Å; I180-V185 HydrophobicContact CG2-CG2 3.99Å; Q181-V185 PolarHBondContact O-N 3.12Å; V185-E187 PolarHBondContact O-N 3.27Å; V185-K188 WeakPolarHBondContact O-CB 3.42Å; V185-K188 PolarHBondContact O-N 2.96Å; V185-L189 PolarHBondContact O-N 3.44Å; V185-L189 VanDerWaalsContact O-N 3.13Å
186	Y	93.3	Very high	88.6	Confident	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	I	π-helix	trans	-69.4	-36.2	-175.9	-63.8	-42	0	0	0	113.4	I180 T182 K188 L189 A190 L205 R208 I209 E212 L214	I180-Y186 HydrophobicContact CB-CE2 4.09Å; I180-Y186 HydrophobicContact CG2-CD1 4.35Å; I180-Y186 HydrophobicContact CG2-CD2 4.28Å; I180-Y186 HydrophobicContact CG2-CE1 3.84Å; I180-Y186 HydrophobicContact CG2-CE2 3.76Å; T182-Y186 PolarHBondContact O-N 3.02Å; T182-Y186 VanDerWaalsContact O-N 3.14Å; Y186-K188 PolarHBondContact O-N 3.38Å; Y186-L189 HydrophobicContact CD1-CD1 4.03Å; Y186-L189 HydrophobicContact CE1-CD1 4.47Å; Y186-L189 WeakPolarHBondContact O-CB 3.49Å; Y186-L189 PolarHBondContact O-N 2.9Å; Y186-L189 VanDerWaalsContact O-N 3.1Å; Y186-A190 WeakPolarHBondContact O-CB 3.26Å; Y186-A190 PolarHBondContact O-N 3.4Å; Y186-L205 HydrophobicContact CD1-CD1 3.55Å; Y186-L205 HydrophobicContact CE1-CD1 4.25Å; Y186-L205 HydrophobicContact CG-CD1 4.11Å; Y186-R208 HydrophobicContact CE1-CG 4.42Å; Y186-I209 HydrophobicContact CD2-CD1 4.42Å; Y186-I209 HydrophobicContact CD2-CG1 3.66Å; Y186-I209 HydrophobicContact CE2-CG1 4.26Å; Y186-I209 HydrophobicContact CG-CD1 4.31Å; Y186-I209 HydrophobicContact CG-CG1 3.89Å; Y186-E212 PolarHBondContact OH-OE1 2.84Å; Y186-E212 PolarHBondContact OH-OE2 2.84Å; Y186-L214 HydrophobicContact CD2-CD1 4.47Å; Y186-L214 HydrophobicContact CE2-CD1 3.96Å
187	E	91.7	Very high	88.8	Confident	22 Å²	22	18.7 Å²	18.7	10%	0.103	10%	0.097	C	C	.	.	H	α-helix	trans	-58.6	-37	173.8	-174.8	172.8	136.2	0	0	112	T182 V185 A190 N191 S217 N219 Y223	T182-E187 WeakPolarHBondContact O-CB 3.26Å; T182-E187 PolarHBondContact O-N 3.01Å; V185-E187 PolarHBondContact O-N 3.27Å; E187-A190 PolarHBondContact O-N 2.82Å; E187-N191 WeakPolarHBondContact O-CB 3.45Å; E187-N191 PolarHBondContact O-N 3.3Å; E187-S217 WeakPolarHBondContact OE2-CB 3.18Å; E187-S217 PolarHBondContact OE2-OG 3.08Å; E187-N219 HydrophobicContact CG-CB 3.82Å; E187-N219 WeakPolarHBondContact OE1-CB 3.34Å; E187-N219 PolarHBondContact OE1-ND2 2.84Å; E187-Y223 HydrophobicContact CG-CD2 4.47Å; E187-Y223 HydrophobicContact CG-CE2 3.91Å
188	K	91.1	Very high	89.1	Confident	36 Å²	36	21.6 Å²	21.6	16%	0.157	11%	0.112	C	C	.	.	H	α-helix	trans	-71.5	-36.7	175.3	-71.2	175.5	-178.3	-88.7	0	112.7	A142 L145 D146 M184 V185 Y186 N191 Y192 N551 T553	A142-K188 HydrophobicContact CB-CD 4.37Å; L145-K188 HydrophobicContact CD2-CB 3.51Å; L145-K188 HydrophobicContact CD2-CD 4.18Å; L145-K188 HydrophobicContact CG-CB 4.42Å; D146-K188 IonicContact OD1-NZ 2.77Å; D146-K188 PolarHBondContact OD1-NZ 3.16Å; D146-K188 IonicContact OD2-NZ 2.86Å; D146-K188 PolarHBondContact OD2-NZ 3.01Å; M184-K188 WeakPolarHBondContact O-CD 3.41Å; M184-K188 VanDerWaalsContact O-CE 3.3Å; M184-K188 WeakPolarHBondContact O-CE 3.41Å; V185-K188 WeakPolarHBondContact O-CB 3.42Å; V185-K188 PolarHBondContact O-N 2.96Å; Y186-K188 PolarHBondContact O-N 3.38Å; K188-N191 PolarHBondContact O-N 2.79Å; K188-Y192 WeakPolarHBondContact O-CB 3.02Å; K188-Y192 PolarHBondContact O-N 2.86Å; K188-N551 PolarHBondContact NZ-O 3.26Å; K188-T553 WeakPolarHBondContact CE-OG1 3.39Å; K188-T553 PolarHBondContact NZ-OG1 3.14Å
189	L	93.6	Very high	89.2	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.6	-41.4	172.4	-80.7	166.7	0	0	0	111.1	L145 V154 F157 L158 V185 Y186 N191 Y192 Y193 L205	L145-L189 HydrophobicContact CD1-CD2 3.53Å; L145-L189 HydrophobicContact CD1-CG 3.82Å; L145-L189 HydrophobicContact CD2-CD2 4.48Å; L145-L189 HydrophobicContact CD2-CG 3.85Å; V154-L189 HydrophobicContact CG1-CD2 3.98Å; F157-L189 HydrophobicContact CE1-CD1 4.38Å; L158-L189 HydrophobicContact CD2-CD1 3.89Å; L158-L189 HydrophobicContact CD2-CD2 4.07Å; V185-L189 PolarHBondContact O-N 3.44Å; V185-L189 VanDerWaalsContact O-N 3.13Å; Y186-L189 HydrophobicContact CD1-CD1 4.03Å; Y186-L189 HydrophobicContact CE1-CD1 4.47Å; Y186-L189 WeakPolarHBondContact O-CB 3.49Å; Y186-L189 PolarHBondContact O-N 2.9Å; Y186-L189 VanDerWaalsContact O-N 3.1Å; L189-N191 VanDerWaalsContact C-N 3.34Å; L189-N191 PolarHBondContact O-N 3.41Å; L189-Y192 WeakPolarHBondContact O-CB 3.32Å; L189-Y192 PolarHBondContact O-N 3.24Å; L189-Y193 HydrophobicContact CB-CE2 4.38Å; L189-Y193 WeakPolarHBondContact O-CD2 3.43Å; L189-Y193 PolarHBondContact O-N 3.25Å; L189-L205 HydrophobicContact CB-CD1 4.08Å; L189-L205 HydrophobicContact CB-CD2 3.81Å; L189-L205 HydrophobicContact CD1-CD1 4.17Å
190	A	93.8	Very high	89.4	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.5	-46.3	175.3	0	0	0	0	0	110.8	Y186 E187 Y192 Y193 A194 Y202 L205 T220 Y223	Y186-A190 WeakPolarHBondContact O-CB 3.26Å; Y186-A190 PolarHBondContact O-N 3.4Å; E187-A190 PolarHBondContact O-N 2.82Å; A190-Y192 VanDerWaalsContact C-N 3.34Å; A190-Y192 PolarHBondContact O-N 3.15Å; A190-Y193 PolarHBondContact O-N 2.72Å; A190-A194 WeakPolarHBondContact O-CB 3.03Å; A190-A194 PolarHBondContact O-N 3Å; A190-Y202 HydrophobicContact CB-CD2 4.29Å; A190-Y202 HydrophobicContact CB-CE2 4.17Å; A190-L205 HydrophobicContact CB-CD2 3.7Å; A190-L205 VanDerWaalsContact N-CD2 3.28Å; A190-T220 HydrophobicContact CB-CG2 3.89Å; A190-Y223 HydrophobicContact CB-CD2 3.99Å; A190-Y223 HydrophobicContact CB-CG 4.39Å
191	N	90.7	Very high	89.5	Confident	17 Å²	17	25 Å²	25	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-57.5	-45.1	173.1	-167.9	-10.2	0	0	0	111.9	E187 K188 L189 Y193 A194 K195 Y223	E187-N191 WeakPolarHBondContact O-CB 3.45Å; E187-N191 PolarHBondContact O-N 3.3Å; K188-N191 PolarHBondContact O-N 2.79Å; L189-N191 VanDerWaalsContact C-N 3.34Å; L189-N191 PolarHBondContact O-N 3.41Å; N191-Y193 PolarHBondContact O-N 3.23Å; N191-A194 WeakPolarHBondContact O-CB 3.44Å; N191-A194 PolarHBondContact O-N 3.21Å; N191-K195 WeakPolarHBondContact O-CG 3.21Å; N191-K195 PolarHBondContact O-N 2.7Å; N191-K195 WeakPolarHBondContact OD1-CE 3.11Å; N191-Y223 HydrophobicContact CB-CD1 4.02Å; N191-Y223 HydrophobicContact CB-CD2 3.9Å; N191-Y223 HydrophobicContact CB-CE1 3.73Å; N191-Y223 HydrophobicContact CB-CE2 3.61Å; N191-Y223 HydrophobicContact CB-CG 4.13Å; N191-Y223 VanDerWaalsContact CG-CZ 3.44Å; N191-Y223 PolarHBondContact ND2-OH 3.29Å; N191-Y223 VanDerWaalsContact ND2-OH 3.11Å
192	Y	91.5	Very high	90	Very high	64 Å²	64	24.9 Å²	24.9	25%	0.251	13%	0.134	S	C	.	.	H	α-helix	trans	-57.6	-46.9	175.4	167.3	-103.4	0	0	0	112.5	I149 V154 K188 L189 A190 K195 C196	I149-Y192 HydrophobicContact CB-CD2 4.37Å; I149-Y192 HydrophobicContact CD1-CD2 4.42Å; I149-Y192 HydrophobicContact CD1-CG 4.3Å; I149-Y192 HydrophobicContact CG1-CD2 3.93Å; I149-Y192 HydrophobicContact CG1-CG 4.11Å; I149-Y192 HydrophobicContact CG2-CD2 3.68Å; I149-Y192 HydrophobicContact CG2-CE2 4.2Å; V154-Y192 HydrophobicContact CB-CE1 4.31Å; V154-Y192 HydrophobicContact CG1-CD1 4.27Å; V154-Y192 HydrophobicContact CG1-CE1 3.93Å; V154-Y192 HydrophobicContact CG2-CE1 4.1Å; V154-Y192 HydrophobicContact CG2-CE2 4.11Å; K188-Y192 WeakPolarHBondContact O-CB 3.02Å; K188-Y192 PolarHBondContact O-N 2.86Å; L189-Y192 WeakPolarHBondContact O-CB 3.32Å; L189-Y192 PolarHBondContact O-N 3.24Å; A190-Y192 VanDerWaalsContact C-N 3.34Å; A190-Y192 PolarHBondContact O-N 3.15Å; Y192-K195 PolarHBondContact O-N 3.27Å; Y192-C196 PolarHBondContact O-N 2.95Å; Y192-C196 PolarHBondContact O-SG 3.36Å
193	Y	93.3	Very high	90.6	Very high	22 Å²	22	26.7 Å²	26.7	9%	0.086	14%	0.143	C	C	.	.	H	α-helix	trans	-65.5	-39.8	177.7	-68.6	-56.3	0	0	0	112.5	L158 L189 A190 N191 K195 C196 G197 D198 G201 L205	L158-Y193 WeakPolarHBondContact CD1-OH 3.37Å; L189-Y193 HydrophobicContact CB-CE2 4.38Å; L189-Y193 WeakPolarHBondContact O-CD2 3.43Å; L189-Y193 PolarHBondContact O-N 3.25Å; A190-Y193 PolarHBondContact O-N 2.72Å; N191-Y193 PolarHBondContact O-N 3.23Å; Y193-K195 PolarHBondContact O-N 3.43Å; Y193-C196 CarbonylContact O-C 3.57Å; Y193-C196 PolarHBondContact O-N 2.81Å; Y193-G197 PolarHBondContact O-N 3.17Å; Y193-D198 HydrophobicContact CD1-CB 3.99Å; Y193-D198 WeakPolarHBondContact CD1-OD2 3.43Å; Y193-D198 PolarHBondContact O-N 2.65Å; Y193-G201 WeakPolarHBondContact CE2-O 3.43Å; Y193-L205 HydrophobicContact CD2-CB 4.36Å; Y193-L205 HydrophobicContact CD2-CD2 4.07Å; Y193-L205 HydrophobicContact CE2-CB 4.1Å; Y193-L205 HydrophobicContact CE2-CD2 4.26Å
194	A	90.8	Very high	91.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.7	-48.6	172.4	0	0	0	0	0	112.4	A190 N191 C196 G197 Y223 E226 C227	A190-A194 WeakPolarHBondContact O-CB 3.03Å; A190-A194 PolarHBondContact O-N 3Å; N191-A194 WeakPolarHBondContact O-CB 3.44Å; N191-A194 PolarHBondContact O-N 3.21Å; A194-C196 VanDerWaalsContact C-N 3.32Å; A194-C196 PolarHBondContact O-N 3.19Å; A194-G197 PolarHBondContact O-N 3.03Å; A194-Y223 HydrophobicContact CB-CD1 4.03Å; A194-Y223 HydrophobicContact CB-CG 4.32Å; A194-Y223 WeakPolarHBondContact CB-O 3.36Å; A194-E226 HydrophobicContact CB-CB 4.01Å; A194-E226 HydrophobicContact CB-CG 4.11Å; A194-C227 WeakPolarHBondContact CA-SG 3.24Å
195	K	85	Confident	91.6	Very high	58 Å²	58	30 Å²	30	25%	0.252	15%	0.153	S	C	.	.	H	α-helix	trans	-60.5	-40.4	175.4	-70.4	-178.3	-173.2	-163.9	0	112.3	N191 Y192 Y193 G197 K230 E296	N191-K195 WeakPolarHBondContact O-CG 3.21Å; N191-K195 PolarHBondContact O-N 2.7Å; N191-K195 WeakPolarHBondContact OD1-CE 3.11Å; Y192-K195 PolarHBondContact O-N 3.27Å; Y193-K195 PolarHBondContact O-N 3.43Å; K195-G197 VanDerWaalsContact C-N 3.27Å; K195-G197 PolarHBondContact O-N 3.1Å; K195-K230 PolarHBondContact O-NZ 2.83Å; K195-E296 WeakPolarHBondContact CD-OE1 3.24Å; K195-E296 VanDerWaalsContact CE-CD 3.4Å; K195-E296 WeakPolarHBondContact CE-OE1 3.5Å; K195-E296 IonicContact NZ-OE1 2.77Å; K195-E296 PolarHBondContact NZ-OE1 3.45Å
196	C	86.6	Confident	91.8	Very high	54 Å²	54	30.7 Å²	30.7	37%	0.365	16%	0.156	S	C	.	.	H	α-helix	trans	-72.4	-18.5	175	-69.5	0	0	0	0	113.4	Y192 Y193 A194 D198	Y192-C196 PolarHBondContact O-N 2.95Å; Y192-C196 PolarHBondContact O-SG 3.36Å; Y193-C196 CarbonylContact O-C 3.57Å; Y193-C196 PolarHBondContact O-N 2.81Å; A194-C196 VanDerWaalsContact C-N 3.32Å; A194-C196 PolarHBondContact O-N 3.19Å; C196-D198 HydrophobicContact CB-CB 4.07Å
197	G	87	Confident	91.8	Very high	12 Å²	12	36.3 Å²	36.3	12%	0.124	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	32.5	-166.9	0	0	0	0	0	112.1	Y193 A194 K195 W199	Y193-G197 PolarHBondContact O-N 3.17Å; A194-G197 PolarHBondContact O-N 3.03Å; K195-G197 VanDerWaalsContact C-N 3.27Å; K195-G197 PolarHBondContact O-N 3.1Å; G197-W199 PolarHBondContact O-N 3.08Å
198	D	90.1	Very high	91.9	Very high	63 Å²	63	36.6 Å²	36.6	34%	0.337	18%	0.183	S	C	.	.			trans	-95.8	83.4	-177.8	179.6	10.8	0	0	0	110.3	Y193 C196 S200 G201 Y202	Y193-D198 HydrophobicContact CD1-CB 3.99Å; Y193-D198 WeakPolarHBondContact CD1-OD2 3.43Å; Y193-D198 PolarHBondContact O-N 2.65Å; C196-D198 HydrophobicContact CB-CB 4.07Å; D198-S200 VanDerWaalsContact C-N 3.3Å; D198-S200 PolarHBondContact O-N 3.18Å; D198-S200 PolarHBondContact OD1-N 3.08Å; D198-G201 PolarHBondContact O-N 3.12Å; D198-G201 PolarHBondContact OD1-N 2.75Å; D198-Y202 PolarHBondContact O-N 3.42Å
199	W	92.6	Very high	92	Very high	34 Å²	34	34.9 Å²	34.9	13%	0.129	18%	0.175	C	C	.	.	H	α-helix	trans	-61	-37.1	177.3	178.3	-117.2	0	0	0	112.8	G197 Y202 I203 C227 L228 L231 E271 L275	G197-W199 PolarHBondContact O-N 3.08Å; W199-Y202 AromaticContact CE3-CD1 3.63Å; W199-Y202 HydrophobicContact CE3-CD1 3.63Å; W199-Y202 HydrophobicContact CE3-CE1 4.33Å; W199-Y202 HydrophobicContact CE3-CG 4.31Å; W199-Y202 AromaticContact CH2-CD1 3.98Å; W199-Y202 HydrophobicContact CH2-CD1 3.98Å; W199-Y202 HydrophobicContact CH2-CE1 4.01Å; W199-Y202 AromaticContact CZ3-CD1 3.27Å; W199-Y202 HydrophobicContact CZ3-CD1 3.27Å; W199-Y202 AromaticContact CZ3-CE1 3.52Å; W199-Y202 HydrophobicContact CZ3-CE1 3.52Å; W199-Y202 HydrophobicContact CZ3-CG 4.28Å; W199-Y202 PolarHBondContact O-N 3.15Å; W199-I203 HydrophobicContact CD2-CG1 4.04Å; W199-I203 HydrophobicContact CH2-CD1 3.67Å; W199-I203 HydrophobicContact CH2-CG1 4.26Å; W199-I203 HydrophobicContact CZ2-CD1 3.33Å; W199-I203 HydrophobicContact CZ2-CG1 3.67Å; W199-I203 HydrophobicContact CZ3-CD1 4.39Å; W199-I203 PolarHBondContact O-N 2.76Å; W199-C227 HydrophobicContact CE3-CB 3.85Å; W199-C227 HydrophobicContact CZ3-CB 4.48Å; W199-L228 HydrophobicContact CD2-CD2 3.59Å; W199-L228 HydrophobicContact CD2-CG 4.25Å; W199-L228 HydrophobicContact CE3-CD1 4.42Å; W199-L228 HydrophobicContact CE3-CD2 3.63Å; W199-L228 HydrophobicContact CE3-CG 3.74Å; W199-L228 HydrophobicContact CG-CD2 4.25Å; W199-L228 HydrophobicContact CH2-CD1 3.61Å; W199-L228 HydrophobicContact CH2-CD2 3.84Å; W199-L228 HydrophobicContact CH2-CG 3.85Å; W199-L228 HydrophobicContact CZ2-CD1 4.22Å; W199-L228 HydrophobicContact CZ2-CD2 3.79Å; W199-L228 HydrophobicContact CZ2-CG 4.32Å; W199-L228 HydrophobicContact CZ3-CD1 3.71Å; W199-L228 HydrophobicContact CZ3-CD2 3.74Å; W199-L228 HydrophobicContact CZ3-CG 3.52Å; W199-L231 HydrophobicContact CB-CD1 3.8Å; W199-L231 HydrophobicContact CG-CD1 4.3Å; W199-E271 HydrophobicContact CH2-CB 4.39Å; W199-E271 HydrophobicContact CZ2-CB 3.81Å; W199-E271 HydrophobicContact CZ2-CG 4.01Å; W199-L275 HydrophobicContact CH2-CD1 3.72Å; W199-L275 HydrophobicContact CH2-CG 4.18Å; W199-L275 HydrophobicContact CZ3-CD1 3.92Å
200	S	91.9	Very high	91.9	Very high	63 Å²	63	41.2 Å²	41.2	44%	0.441	20%	0.203	S	C	.	.	H	α-helix	trans	-65.4	-42.2	178.7	-175.3	0	0	0	0	111.6	D198 Y202 K204	D198-S200 VanDerWaalsContact C-N 3.3Å; D198-S200 PolarHBondContact O-N 3.18Å; D198-S200 PolarHBondContact OD1-N 3.08Å; S200-Y202 VanDerWaalsContact C-N 3.35Å; S200-K204 WeakPolarHBondContact O-CG 3Å; S200-K204 PolarHBondContact O-N 3.15Å; S200-K204 VanDerWaalsContact O-N 3.12Å
201	G	92	Very high	91.8	Very high	5 Å²	5	47.5 Å²	47.5	5%	0.052	23%	0.227	C	C	.	.	H	α-helix	trans	-61.6	-42	172.9	0	0	0	0	0	112.4	Y193 D198 K204 L205	Y193-G201 WeakPolarHBondContact CE2-O 3.43Å; D198-G201 PolarHBondContact O-N 3.12Å; D198-G201 PolarHBondContact OD1-N 2.75Å; G201-K204 PolarHBondContact O-N 3.19Å; G201-L205 PolarHBondContact O-N 3.45Å
202	Y	95.1	Very high	91.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.4	-46.1	176.3	177.2	-93.7	0	0	0	113	A190 D198 W199 S200 K204 L205 L206 T220 L275	A190-Y202 HydrophobicContact CB-CD2 4.29Å; A190-Y202 HydrophobicContact CB-CE2 4.17Å; D198-Y202 PolarHBondContact O-N 3.42Å; W199-Y202 AromaticContact CE3-CD1 3.63Å; W199-Y202 HydrophobicContact CE3-CD1 3.63Å; W199-Y202 HydrophobicContact CE3-CE1 4.33Å; W199-Y202 HydrophobicContact CE3-CG 4.31Å; W199-Y202 AromaticContact CH2-CD1 3.98Å; W199-Y202 HydrophobicContact CH2-CD1 3.98Å; W199-Y202 HydrophobicContact CH2-CE1 4.01Å; W199-Y202 AromaticContact CZ3-CD1 3.27Å; W199-Y202 HydrophobicContact CZ3-CD1 3.27Å; W199-Y202 AromaticContact CZ3-CE1 3.52Å; W199-Y202 HydrophobicContact CZ3-CE1 3.52Å; W199-Y202 HydrophobicContact CZ3-CG 4.28Å; W199-Y202 PolarHBondContact O-N 3.15Å; S200-Y202 VanDerWaalsContact C-N 3.35Å; Y202-K204 PolarHBondContact O-N 3.33Å; Y202-L205 WeakPolarHBondContact O-CA 3.29Å; Y202-L205 VanDerWaalsContact O-CB 3.3Å; Y202-L205 WeakPolarHBondContact O-CB 3.34Å; Y202-L205 PolarHBondContact O-N 3.22Å; Y202-L205 VanDerWaalsContact O-N 3.08Å; Y202-L206 HydrophobicContact CD1-CD1 4.12Å; Y202-L206 HydrophobicContact CD1-CG 4.36Å; Y202-L206 HydrophobicContact CE1-CD1 3.33Å; Y202-L206 HydrophobicContact CE1-CD2 4.5Å; Y202-L206 HydrophobicContact CE1-CG 3.79Å; Y202-L206 PolarHBondContact O-N 3.46Å; Y202-T220 HydrophobicContact CE2-CG2 4.22Å; Y202-T220 WeakPolarHBondContact CE2-O 3.41Å; Y202-T220 PolarHBondContact OH-O 3.12Å; Y202-T220 VanDerWaalsContact OH-O 3.07Å; Y202-L275 HydrophobicContact CE1-CD1 4.16Å; Y202-L275 HydrophobicContact CE1-CD2 4.24Å
203	I	94.3	Very high	91.7	Very high	45 Å²	45	44.9 Å²	44.9	23%	0.231	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-45.4	176.8	-72.6	-58.1	0	0	0	111.4	W199 L205 L206 E207	W199-I203 HydrophobicContact CD2-CG1 4.04Å; W199-I203 HydrophobicContact CH2-CD1 3.67Å; W199-I203 HydrophobicContact CH2-CG1 4.26Å; W199-I203 HydrophobicContact CZ2-CD1 3.33Å; W199-I203 HydrophobicContact CZ2-CG1 3.67Å; W199-I203 HydrophobicContact CZ3-CD1 4.39Å; W199-I203 PolarHBondContact O-N 2.76Å; I203-L205 PolarHBondContact O-N 2.83Å; I203-L206 HydrophobicContact CD1-CD1 4.37Å; I203-L206 PolarHBondContact O-N 3.29Å; I203-E207 HydrophobicContact CG2-CG 4.4Å; I203-E207 WeakPolarHBondContact O-CG 3.48Å; I203-E207 PolarHBondContact O-N 3.08Å
204	K	94.1	Very high	91.6	Very high	130 Å²	130	44 Å²	44	57%	0.565	22%	0.219	S	C	*	.	H	α-helix	trans	-60.4	-30.7	175.3	-72.3	171.3	-176.4	167.8	0	112.6	S200 G201 Y202 R208	S200-K204 WeakPolarHBondContact O-CG 3Å; S200-K204 PolarHBondContact O-N 3.15Å; S200-K204 VanDerWaalsContact O-N 3.12Å; G201-K204 PolarHBondContact O-N 3.19Å; Y202-K204 PolarHBondContact O-N 3.33Å; K204-R208 WeakPolarHBondContact O-CB 3.12Å; K204-R208 PolarHBondContact O-N 3.23Å
205	L	94.4	Very high	91.6	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-70.8	-43.7	173.4	176.7	67.7	0	0	0	111.5	Y186 L189 A190 Y193 G201 Y202 I203 R208 I209	Y186-L205 HydrophobicContact CD1-CD1 3.55Å; Y186-L205 HydrophobicContact CE1-CD1 4.25Å; Y186-L205 HydrophobicContact CG-CD1 4.11Å; L189-L205 HydrophobicContact CB-CD1 4.08Å; L189-L205 HydrophobicContact CB-CD2 3.81Å; L189-L205 HydrophobicContact CD1-CD1 4.17Å; A190-L205 HydrophobicContact CB-CD2 3.7Å; A190-L205 VanDerWaalsContact N-CD2 3.28Å; Y193-L205 HydrophobicContact CD2-CB 4.36Å; Y193-L205 HydrophobicContact CD2-CD2 4.07Å; Y193-L205 HydrophobicContact CE2-CB 4.1Å; Y193-L205 HydrophobicContact CE2-CD2 4.26Å; G201-L205 PolarHBondContact O-N 3.45Å; Y202-L205 WeakPolarHBondContact O-CA 3.29Å; Y202-L205 VanDerWaalsContact O-CB 3.3Å; Y202-L205 WeakPolarHBondContact O-CB 3.34Å; Y202-L205 PolarHBondContact O-N 3.22Å; Y202-L205 VanDerWaalsContact O-N 3.08Å; I203-L205 PolarHBondContact O-N 2.83Å; L205-R208 WeakPolarHBondContact O-CB 3.12Å; L205-R208 PolarHBondContact O-N 2.96Å; L205-I209 HydrophobicContact CG-CD1 4.17Å; L205-I209 VanDerWaalsContact O-CG1 3.31Å; L205-I209 WeakPolarHBondContact O-CG1 3.26Å; L205-I209 PolarHBondContact O-N 3.41Å
206	L	94	Very high	91.9	Very high	15 Å²	15	45.2 Å²	45.2	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-45.1	174.7	-74.3	-175.9	0	0	0	111.9	Y202 I203 R208 I209 K210 P216 T220 L275	Y202-L206 HydrophobicContact CD1-CD1 4.12Å; Y202-L206 HydrophobicContact CD1-CG 4.36Å; Y202-L206 HydrophobicContact CE1-CD1 3.33Å; Y202-L206 HydrophobicContact CE1-CD2 4.5Å; Y202-L206 HydrophobicContact CE1-CG 3.79Å; Y202-L206 PolarHBondContact O-N 3.46Å; I203-L206 HydrophobicContact CD1-CD1 4.37Å; I203-L206 PolarHBondContact O-N 3.29Å; L206-R208 VanDerWaalsContact C-N 3.27Å; L206-R208 PolarHBondContact O-N 3.04Å; L206-I209 HydrophobicContact CD2-CD1 4.4Å; L206-I209 PolarHBondContact O-N 3.27Å; L206-K210 WeakPolarHBondContact O-CG 3.37Å; L206-K210 PolarHBondContact O-N 3.46Å; L206-P216 HydrophobicContact CD2-CB 4.16Å; L206-P216 HydrophobicContact CD2-CG 3.76Å; L206-T220 HydrophobicContact CD2-CG2 4.03Å; L206-L275 HydrophobicContact CD1-CD2 3.83Å
207	E	93.8	Very high	92	Very high	119 Å²	119	43.4 Å²	43.4	56%	0.556	22%	0.217	S	C	*	.	H	α-helix	trans	-57.4	-42.2	173.5	-71.5	173	177.7	0	0	111.3	I203 K210 R211	I203-E207 HydrophobicContact CG2-CG 4.4Å; I203-E207 WeakPolarHBondContact O-CG 3.48Å; I203-E207 PolarHBondContact O-N 3.08Å; E207-K210 PolarHBondContact O-N 3.27Å; E207-R211 WeakPolarHBondContact O-CB 3.48Å; E207-R211 PolarHBondContact O-N 3.39Å
208	R	93.3	Very high	92.1	Very high	28 Å²	28	45.6 Å²	45.6	11%	0.106	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-49.7	174.3	173.6	-176.7	-65.3	-83.8	-2.2	111.6	D162 Y186 K204 L205 L206 K210 R211 E212	D162-R208 IonicContact OD1-CZ 3.84Å; D162-R208 IonicContact OD1-NH1 3.12Å; D162-R208 PolarHBondContact OD1-NH1 3.25Å; D162-R208 IonicContact OD1-NH2 3.12Å; D162-R208 PolarHBondContact OD1-NH2 2.92Å; D162-R208 IonicContact OD2-NH2 3.35Å; D162-R208 PolarHBondContact OD2-NH2 3.49Å; D162-R208 VanDerWaalsContact OD2-NH2 3.12Å; Y186-R208 HydrophobicContact CE1-CG 4.42Å; K204-R208 WeakPolarHBondContact O-CB 3.12Å; K204-R208 PolarHBondContact O-N 3.23Å; L205-R208 WeakPolarHBondContact O-CB 3.12Å; L205-R208 PolarHBondContact O-N 2.96Å; L206-R208 VanDerWaalsContact C-N 3.27Å; L206-R208 PolarHBondContact O-N 3.04Å; R208-K210 VanDerWaalsContact C-N 3.31Å; R208-K210 PolarHBondContact O-N 3.42Å; R208-R211 PolarHBondContact O-N 3.06Å; R208-E212 IonicContact NH1-OE1 3.07Å; R208-E212 WeakPolarHBondContact O-CG 3.44Å; R208-E212 PolarHBondContact O-N 3.22Å
209	I	93.1	Very high	92.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-55.7	-49	179.5	-69.4	165.1	0	0	0	110.1	T182 Y186 L205 L206 E212 G213 L214 P216 T220	T182-I209 HydrophobicContact CG2-CD1 4.28Å; Y186-I209 HydrophobicContact CD2-CD1 4.42Å; Y186-I209 HydrophobicContact CD2-CG1 3.66Å; Y186-I209 HydrophobicContact CE2-CG1 4.26Å; Y186-I209 HydrophobicContact CG-CD1 4.31Å; Y186-I209 HydrophobicContact CG-CG1 3.89Å; L205-I209 HydrophobicContact CG-CD1 4.17Å; L205-I209 VanDerWaalsContact O-CG1 3.31Å; L205-I209 WeakPolarHBondContact O-CG1 3.26Å; L205-I209 PolarHBondContact O-N 3.41Å; L206-I209 HydrophobicContact CD2-CD1 4.4Å; L206-I209 PolarHBondContact O-N 3.27Å; I209-E212 PolarHBondContact O-N 3.12Å; I209-G213 PolarHBondContact O-N 3.19Å; I209-L214 HydrophobicContact CG2-CB 3.91Å; I209-L214 WeakPolarHBondContact CG2-O 2.88Å; I209-L214 PolarHBondContact O-N 2.84Å; I209-L214 VanDerWaalsContact O-N 3.11Å; I209-P216 HydrophobicContact CG2-CG 4.19Å; I209-T220 HydrophobicContact CD1-CG2 4.21Å
210	K	92.2	Very high	92.2	Very high	133 Å²	133	42.5 Å²	42.5	58%	0.578	21%	0.209	S	C	*	.	H	α-helix	trans	-62.8	-43.9	178.2	-69.7	-178.5	178.7	-174.3	0	112.3	L206 E207 R208 E212 G213	L206-K210 WeakPolarHBondContact O-CG 3.37Å; L206-K210 PolarHBondContact O-N 3.46Å; E207-K210 PolarHBondContact O-N 3.27Å; R208-K210 VanDerWaalsContact C-N 3.31Å; R208-K210 PolarHBondContact O-N 3.42Å; K210-E212 PolarHBondContact O-N 2.88Å; K210-G213 PolarHBondContact O-N 2.99Å
211	R	91.2	Very high	92.3	Very high	131 Å²	131	39.7 Å²	39.7	49%	0.494	19%	0.188	S	C	.	.	H	α-helix	trans	-58.8	-32.1	177.2	-177.3	-175.1	69.4	-169.2	4.4	112.8	D162 E207 R208 G213	D162-R211 IonicContact OD1-NH2 3.08Å; D162-R211 PolarHBondContact OD1-NH2 3.49Å; E207-R211 WeakPolarHBondContact O-CB 3.48Å; E207-R211 PolarHBondContact O-N 3.39Å; R208-R211 PolarHBondContact O-N 3.06Å; R211-G213 VanDerWaalsContact C-N 3.27Å
212	E	90.9	Very high	92.3	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.009	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-1.8	178.5	-60.6	-172.5	-171.6	0	0	113.1	F91 N95 F165 Y186 R208 I209 K210 L214	F91-E212 VanDerWaalsContact CD2-O 3.29Å; F91-E212 WeakPolarHBondContact CD2-O 3.45Å; N95-E212 PolarHBondContact ND2-O 2.91Å; F165-E212 HydrophobicContact CD1-CG 4.35Å; F165-E212 HydrophobicContact CD2-CB 4.14Å; F165-E212 HydrophobicContact CD2-CG 3.46Å; F165-E212 VanDerWaalsContact CD2-CG 3.46Å; F165-E212 HydrophobicContact CE1-CG 4.36Å; F165-E212 HydrophobicContact CE2-CB 3.86Å; F165-E212 HydrophobicContact CE2-CG 3.5Å; F165-E212 HydrophobicContact CG-CG 3.91Å; F165-E212 HydrophobicContact CZ-CB 4.48Å; F165-E212 HydrophobicContact CZ-CG 3.96Å; Y186-E212 PolarHBondContact OH-OE1 2.84Å; Y186-E212 PolarHBondContact OH-OE2 2.84Å; R208-E212 IonicContact NH1-OE1 3.07Å; R208-E212 WeakPolarHBondContact O-CG 3.44Å; R208-E212 PolarHBondContact O-N 3.22Å; I209-E212 PolarHBondContact O-N 3.12Å; K210-E212 PolarHBondContact O-N 2.88Å; E212-L214 HydrophobicContact CB-CD1 4.19Å; E212-L214 HydrophobicContact CB-CG 4.36Å
213	G	89.3	Confident	92.2	Very high	24 Å²	24	39.6 Å²	39.6	25%	0.247	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	26.6	-178.1	0	0	0	0	0	113.7	Q90 A94 I209 K210 R211	Q90-G213 CarbonylContact C-O 3.6Å; A94-G213 VanDerWaalsContact CB-CA 3.49Å; I209-G213 PolarHBondContact O-N 3.19Å; K210-G213 PolarHBondContact O-N 2.99Å; R211-G213 VanDerWaalsContact C-N 3.27Å
214	L	91.5	Very high	92.3	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	18%	0.175	C	C	.	.			trans	-109.5	158.9	-179.3	-65	172.4	0	0	0	110.5	F91 I180 Y186 I209 E212	F91-L214 HydrophobicContact CB-CD2 3.94Å; I180-L214 VanDerWaalsContact O-CD1 3.28Å; I180-L214 WeakPolarHBondContact O-CD1 3.3Å; Y186-L214 HydrophobicContact CD2-CD1 4.47Å; Y186-L214 HydrophobicContact CE2-CD1 3.96Å; I209-L214 HydrophobicContact CG2-CB 3.91Å; I209-L214 WeakPolarHBondContact CG2-O 2.88Å; I209-L214 PolarHBondContact O-N 2.84Å; I209-L214 VanDerWaalsContact O-N 3.11Å; E212-L214 HydrophobicContact CB-CD1 4.19Å; E212-L214 HydrophobicContact CB-CG 4.36Å
215	L	90.3	Very high	92.3	Very high	79 Å²	79	31.2 Å²	31.2	41%	0.414	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-101.3	144	171.1	-61.9	179.1	0	0	0	110.8	T182	T182-L215 WeakPolarHBondContact CG2-O 3.28Å; T182-L215 PolarHBondContact OG1-O 3.38Å
216	P	92.1	Very high	92.2	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.032	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-58.2	149.4	168.4	-21.4	34.2	0	0	0	111.8	L206 I209 T220 Y221 E282	L206-P216 HydrophobicContact CD2-CB 4.16Å; L206-P216 HydrophobicContact CD2-CG 3.76Å; I209-P216 HydrophobicContact CG2-CG 4.19Å; P216-T220 HydrophobicContact CB-CG2 3.98Å; P216-Y221 HydrophobicContact CB-CD2 4.24Å; P216-Y221 HydrophobicContact CB-CE2 3.72Å; P216-Y221 HydrophobicContact CG-CE2 4.24Å; P216-E282 WeakPolarHBondContact CD-OE1 3.49Å
217	S	89.3	Confident	92.1	Very high	17 Å²	17	30.4 Å²	30.4	12%	0.119	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-80.6	157.3	169.7	71	0	0	0	0	110.1	E187 N219 T220 Y221	E187-S217 WeakPolarHBondContact OE2-CB 3.18Å; E187-S217 PolarHBondContact OE2-OG 3.08Å; S217-N219 PolarHBondContact O-N 3.47Å; S217-N219 VanDerWaalsContact O-N 3.11Å; S217-T220 PolarHBondContact N-OG1 3.44Å; S217-T220 WeakPolarHBondContact O-CA 3.48Å; S217-T220 WeakPolarHBondContact O-CB 3.14Å; S217-T220 PolarHBondContact O-N 2.91Å; S217-T220 PolarHBondContact OG-N 3.19Å; S217-T220 PolarHBondContact OG-OG1 3.36Å; S217-Y221 PolarHBondContact O-N 3.46Å
218	K	89.3	Confident	92.1	Very high	58 Å²	58	24.8 Å²	24.8	25%	0.252	12%	0.118	S	C	.	.	H	α-helix	trans	-46.4	-43.1	170.3	-176	172.7	67.9	165.8	0	113.2	T220 Y221 F222 H284 Q288	K218-T220 VanDerWaalsContact C-N 3.31Å; K218-T220 PolarHBondContact O-N 2.94Å; K218-Y221 WeakPolarHBondContact O-CB 3.49Å; K218-Y221 PolarHBondContact O-N 2.91Å; K218-F222 HydrophobicContact CD-CE2 3.96Å; K218-F222 HydrophobicContact CG-CD2 4.05Å; K218-F222 HydrophobicContact CG-CE2 3.66Å; K218-F222 WeakPolarHBondContact O-CD2 3.49Å; K218-F222 PolarHBondContact O-N 3.11Å; K218-H284 HydrophobicContact CB-CB 4.34Å; K218-H284 HydrophobicContact CD-CB 4.41Å; K218-H284 HydrophobicContact CG-CB 4.14Å; K218-Q288 PolarHBondContact NZ-O 3.31Å
219	N	90.5	Very high	92	Very high	32 Å²	32	23.5 Å²	23.5	17%	0.171	11%	0.113	C	C	.	.	H	α-helix	trans	-68.2	-31.8	179.3	-66.4	-2.5	0	0	0	112.2	E187 S217 Y221 F222 Y223 L293	E187-N219 HydrophobicContact CG-CB 3.82Å; E187-N219 WeakPolarHBondContact OE1-CB 3.34Å; E187-N219 PolarHBondContact OE1-ND2 2.84Å; S217-N219 PolarHBondContact O-N 3.47Å; S217-N219 VanDerWaalsContact O-N 3.11Å; N219-Y221 VanDerWaalsContact C-N 3.29Å; N219-Y221 PolarHBondContact O-N 3.15Å; N219-F222 PolarHBondContact O-N 2.8Å; N219-Y223 HydrophobicContact CB-CE2 4.14Å; N219-Y223 WeakPolarHBondContact O-CD2 3.35Å; N219-Y223 PolarHBondContact O-N 3.06Å; N219-L293 HydrophobicContact CB-CD2 3.66Å; N219-L293 VanDerWaalsContact OD1-CD2 3.27Å; N219-L293 WeakPolarHBondContact OD1-CD2 3.42Å
220	T	93.1	Very high	91.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58	-44.6	173.5	-54.2	0	0	0	0	110.4	A190 Y202 L206 I209 P216 S217 K218 Y223 G224	A190-T220 HydrophobicContact CB-CG2 3.89Å; Y202-T220 HydrophobicContact CE2-CG2 4.22Å; Y202-T220 WeakPolarHBondContact CE2-O 3.41Å; Y202-T220 PolarHBondContact OH-O 3.12Å; Y202-T220 VanDerWaalsContact OH-O 3.07Å; L206-T220 HydrophobicContact CD2-CG2 4.03Å; I209-T220 HydrophobicContact CD1-CG2 4.21Å; P216-T220 HydrophobicContact CB-CG2 3.98Å; S217-T220 PolarHBondContact N-OG1 3.44Å; S217-T220 WeakPolarHBondContact O-CA 3.48Å; S217-T220 WeakPolarHBondContact O-CB 3.14Å; S217-T220 PolarHBondContact O-N 2.91Å; S217-T220 PolarHBondContact OG-N 3.19Å; S217-T220 PolarHBondContact OG-OG1 3.36Å; K218-T220 VanDerWaalsContact C-N 3.31Å; K218-T220 PolarHBondContact O-N 2.94Å; T220-Y223 PolarHBondContact O-N 2.88Å; T220-G224 PolarHBondContact O-N 2.98Å; T220-G224 VanDerWaalsContact O-N 3.09Å
221	Y	94.3	Very high	91.7	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-61.8	-45.1	174.7	-72.8	-71	0	0	0	113.1	P216 S217 K218 N219 Y223 G224 F225 L275 A278 A279 E282 H284	P216-Y221 HydrophobicContact CB-CD2 4.24Å; P216-Y221 HydrophobicContact CB-CE2 3.72Å; P216-Y221 HydrophobicContact CG-CE2 4.24Å; S217-Y221 PolarHBondContact O-N 3.46Å; K218-Y221 WeakPolarHBondContact O-CB 3.49Å; K218-Y221 PolarHBondContact O-N 2.91Å; N219-Y221 VanDerWaalsContact C-N 3.29Å; N219-Y221 PolarHBondContact O-N 3.15Å; Y221-Y223 VanDerWaalsContact C-N 3.28Å; Y221-Y223 PolarHBondContact O-N 3.29Å; Y221-G224 WeakPolarHBondContact O-CA 3.15Å; Y221-G224 PolarHBondContact O-N 3.1Å; Y221-F225 WeakPolarHBondContact O-CD2 3.42Å; Y221-F225 PolarHBondContact O-N 3.34Å; Y221-L275 HydrophobicContact CD1-CD2 4.09Å; Y221-L275 HydrophobicContact CE1-CD2 4.17Å; Y221-A278 HydrophobicContact CE1-CB 4.04Å; Y221-A278 PolarHBondContact OH-O 2.84Å; Y221-A279 HydrophobicContact CD1-CB 3.87Å; Y221-A279 HydrophobicContact CD2-CB 3.82Å; Y221-A279 HydrophobicContact CE1-CB 4.13Å; Y221-A279 HydrophobicContact CE2-CB 4.05Å; Y221-A279 HydrophobicContact CG-CB 3.71Å; Y221-E282 VanDerWaalsContact CE2-OE2 3.28Å; Y221-E282 WeakPolarHBondContact CE2-OE2 3.37Å; Y221-E282 PolarHBondContact OH-OE1 3.36Å; Y221-E282 PolarHBondContact OH-OE2 3.12Å; Y221-H284 AromaticContact CD2-CD2 3.8Å; Y221-H284 AromaticContact CE2-CD2 3.61Å; Y221-H284 AromaticContact CE2-NE2 3.8Å
222	F	92.7	Very high	91.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.2	-37.7	175.8	-74.5	-60	0	0	0	113.1	K218 N219 G224 F225 E226 L286 L290 L293 I303 L307	K218-F222 HydrophobicContact CD-CE2 3.96Å; K218-F222 HydrophobicContact CG-CD2 4.05Å; K218-F222 HydrophobicContact CG-CE2 3.66Å; K218-F222 WeakPolarHBondContact O-CD2 3.49Å; K218-F222 PolarHBondContact O-N 3.11Å; N219-F222 PolarHBondContact O-N 2.8Å; F222-G224 VanDerWaalsContact C-N 3.3Å; F222-G224 PolarHBondContact O-N 2.86Å; F222-F225 AromaticContact CD1-CD2 3.89Å; F222-F225 HydrophobicContact CD1-CD2 3.89Å; F222-F225 HydrophobicContact CD1-CE2 4.32Å; F222-F225 PolarHBondContact O-N 2.75Å; F222-E226 PolarHBondContact O-N 3.45Å; F222-L286 HydrophobicContact CZ-CD2 4.47Å; F222-L290 HydrophobicContact CD1-CD2 3.42Å; F222-L290 VanDerWaalsContact CD1-CD2 3.42Å; F222-L290 HydrophobicContact CD1-CG 4.37Å; F222-L290 HydrophobicContact CE1-CD2 3.36Å; F222-L290 HydrophobicContact CE1-CG 3.83Å; F222-L290 HydrophobicContact CE2-CD2 4.5Å; F222-L290 HydrophobicContact CG-CD2 4.08Å; F222-L290 HydrophobicContact CZ-CD2 3.94Å; F222-L290 HydrophobicContact CZ-CG 4.03Å; F222-L293 HydrophobicContact CB-CD1 3.51Å; F222-L293 HydrophobicContact CB-CD2 4.23Å; F222-L293 HydrophobicContact CD1-CD1 4.33Å; F222-L293 HydrophobicContact CD2-CD1 3.81Å; F222-L293 HydrophobicContact CD2-CD2 4.21Å; F222-L293 HydrophobicContact CD2-CG 4.42Å; F222-L293 HydrophobicContact CG-CD1 3.65Å; F222-I303 HydrophobicContact CD1-CG2 4.02Å; F222-L307 HydrophobicContact CE1-CD1 4.27Å
223	Y	93.5	Very high	91.2	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-67.2	-30.5	172.8	-66.1	-48.1	0	0	0	112.7	E187 A190 N191 A194 N219 T220 Y221 E226 C227	E187-Y223 HydrophobicContact CG-CD2 4.47Å; E187-Y223 HydrophobicContact CG-CE2 3.91Å; A190-Y223 HydrophobicContact CB-CD2 3.99Å; A190-Y223 HydrophobicContact CB-CG 4.39Å; N191-Y223 HydrophobicContact CB-CD1 4.02Å; N191-Y223 HydrophobicContact CB-CD2 3.9Å; N191-Y223 HydrophobicContact CB-CE1 3.73Å; N191-Y223 HydrophobicContact CB-CE2 3.61Å; N191-Y223 HydrophobicContact CB-CG 4.13Å; N191-Y223 VanDerWaalsContact CG-CZ 3.44Å; N191-Y223 PolarHBondContact ND2-OH 3.29Å; N191-Y223 VanDerWaalsContact ND2-OH 3.11Å; A194-Y223 HydrophobicContact CB-CD1 4.03Å; A194-Y223 HydrophobicContact CB-CG 4.32Å; A194-Y223 WeakPolarHBondContact CB-O 3.36Å; N219-Y223 HydrophobicContact CB-CE2 4.14Å; N219-Y223 WeakPolarHBondContact O-CD2 3.35Å; N219-Y223 PolarHBondContact O-N 3.06Å; T220-Y223 PolarHBondContact O-N 2.88Å; Y221-Y223 VanDerWaalsContact C-N 3.28Å; Y221-Y223 PolarHBondContact O-N 3.29Å; Y223-E226 PolarHBondContact O-N 3.32Å; Y223-C227 PolarHBondContact O-N 2.77Å
224	G	94.7	Very high	90.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.9	-47.3	168.5	0	0	0	0	0	112.8	T220 Y221 F222 E226 C227 L228	T220-G224 PolarHBondContact O-N 2.98Å; T220-G224 VanDerWaalsContact O-N 3.09Å; Y221-G224 WeakPolarHBondContact O-CA 3.15Å; Y221-G224 PolarHBondContact O-N 3.1Å; F222-G224 VanDerWaalsContact C-N 3.3Å; F222-G224 PolarHBondContact O-N 2.86Å; G224-E226 VanDerWaalsContact C-N 3.27Å; G224-E226 PolarHBondContact O-N 2.9Å; G224-C227 WeakPolarHBondContact O-CB 3.34Å; G224-C227 PolarHBondContact O-N 2.96Å; G224-L228 PolarHBondContact O-N 3.45Å
225	F	94.3	Very high	88.6	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.7	-37.6	174.3	-57.2	-42.4	0	0	0	111.8	Y221 F222 L228 G229 V272 L275 I276 L286 I303 A306 L307	Y221-F225 WeakPolarHBondContact O-CD2 3.42Å; Y221-F225 PolarHBondContact O-N 3.34Å; F222-F225 AromaticContact CD1-CD2 3.89Å; F222-F225 HydrophobicContact CD1-CD2 3.89Å; F222-F225 HydrophobicContact CD1-CE2 4.32Å; F222-F225 PolarHBondContact O-N 2.75Å; F225-L228 PolarHBondContact O-N 3.22Å; F225-G229 PolarHBondContact O-N 3.31Å; F225-V272 HydrophobicContact CD1-CG1 4.3Å; F225-V272 HydrophobicContact CE1-CG1 4.42Å; F225-L275 HydrophobicContact CD1-CB 4.29Å; F225-L275 HydrophobicContact CD1-CD1 4.21Å; F225-L275 HydrophobicContact CE1-CB 3.53Å; F225-L275 HydrophobicContact CE1-CD1 4.24Å; F225-L275 HydrophobicContact CZ-CB 4.21Å; F225-I276 HydrophobicContact CE1-CG1 3.73Å; F225-I276 HydrophobicContact CZ-CG1 3.78Å; F225-L286 HydrophobicContact CE2-CD1 4.2Å; F225-L286 HydrophobicContact CE2-CD2 3.9Å; F225-L286 HydrophobicContact CZ-CD1 4.06Å; F225-L286 HydrophobicContact CZ-CD2 4.37Å; F225-I303 HydrophobicContact CB-CG2 4.16Å; F225-A306 HydrophobicContact CB-CB 4.09Å; F225-A306 VanDerWaalsContact O-CB 3.27Å; F225-A306 WeakPolarHBondContact O-CB 3.17Å; F225-L307 HydrophobicContact CD1-CD2 4.19Å; F225-L307 HydrophobicContact CD2-CD1 4.33Å; F225-L307 HydrophobicContact CD2-CD2 3.65Å; F225-L307 HydrophobicContact CD2-CG 4.03Å; F225-L307 HydrophobicContact CE1-CD2 4.14Å; F225-L307 HydrophobicContact CE2-CD2 3.64Å; F225-L307 HydrophobicContact CE2-CG 4.49Å; F225-L307 HydrophobicContact CG-CD2 3.97Å; F225-L307 HydrophobicContact CG-CG 4.2Å; F225-L307 HydrophobicContact CZ-CD2 3.89Å
226	E	92.7	Very high	86.2	Confident	2 Å²	2	24 Å²	24	1%	0.009	14%	0.135	C	C	.	.	H	α-helix	trans	-62.4	-46.1	173.7	-172.5	177.7	177.2	0	0	112.3	A194 F222 Y223 G224 L228 K230 S299 N302 I303	A194-E226 HydrophobicContact CB-CB 4.01Å; A194-E226 HydrophobicContact CB-CG 4.11Å; F222-E226 PolarHBondContact O-N 3.45Å; Y223-E226 PolarHBondContact O-N 3.32Å; G224-E226 VanDerWaalsContact C-N 3.27Å; G224-E226 PolarHBondContact O-N 2.9Å; E226-L228 PolarHBondContact O-N 3.04Å; E226-K230 WeakPolarHBondContact O-CB 3.34Å; E226-K230 PolarHBondContact O-N 2.8Å; E226-S299 WeakPolarHBondContact OE1-CA 3.48Å; E226-S299 WeakPolarHBondContact OE1-CB 3.47Å; E226-S299 PolarHBondContact OE1-OG 2.86Å; E226-N302 HydrophobicContact CG-CB 4.05Å; E226-I303 HydrophobicContact CB-CD1 4.29Å; E226-I303 HydrophobicContact CB-CG1 3.64Å; E226-I303 HydrophobicContact CG-CG1 4.3Å
227	C	92.7	Very high	83.4	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-53.5	-53.2	174.7	-86.2	0	0	0	0	111.4	A194 W199 Y223 G224 K230 L231	A194-C227 WeakPolarHBondContact CA-SG 3.24Å; W199-C227 HydrophobicContact CE3-CB 3.85Å; W199-C227 HydrophobicContact CZ3-CB 4.48Å; Y223-C227 PolarHBondContact O-N 2.77Å; G224-C227 WeakPolarHBondContact O-CB 3.34Å; G224-C227 PolarHBondContact O-N 2.96Å; C227-K230 PolarHBondContact O-N 3.24Å; C227-L231 WeakPolarHBondContact O-CG 3.46Å; C227-L231 PolarHBondContact O-N 3.17Å; C227-L231 VanDerWaalsContact O-N 3.16Å
228	L	93	Very high	80.5	Confident	1 Å²	1	35 Å²	35	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-67.2	-46.5	-176.4	-67.5	171.9	0	0	0	111.2	W199 G224 F225 E226 K230 L231 M232 I268 E271 V272 L275 A306	W199-L228 HydrophobicContact CD2-CD2 3.59Å; W199-L228 HydrophobicContact CD2-CG 4.25Å; W199-L228 HydrophobicContact CE3-CD1 4.42Å; W199-L228 HydrophobicContact CE3-CD2 3.63Å; W199-L228 HydrophobicContact CE3-CG 3.74Å; W199-L228 HydrophobicContact CG-CD2 4.25Å; W199-L228 HydrophobicContact CH2-CD1 3.61Å; W199-L228 HydrophobicContact CH2-CD2 3.84Å; W199-L228 HydrophobicContact CH2-CG 3.85Å; W199-L228 HydrophobicContact CZ2-CD1 4.22Å; W199-L228 HydrophobicContact CZ2-CD2 3.79Å; W199-L228 HydrophobicContact CZ2-CG 4.32Å; W199-L228 HydrophobicContact CZ3-CD1 3.71Å; W199-L228 HydrophobicContact CZ3-CD2 3.74Å; W199-L228 HydrophobicContact CZ3-CG 3.52Å; G224-L228 PolarHBondContact O-N 3.45Å; F225-L228 PolarHBondContact O-N 3.22Å; E226-L228 PolarHBondContact O-N 3.04Å; L228-K230 PolarHBondContact O-N 3.4Å; L228-L231 WeakPolarHBondContact O-CA 3.5Å; L228-L231 WeakPolarHBondContact O-CB 3.48Å; L228-L231 PolarHBondContact O-N 3.13Å; L228-M232 VanDerWaalsContact O-CG 3.31Å; L228-M232 WeakPolarHBondContact O-CG 3.39Å; L228-M232 PolarHBondContact O-N 3.43Å; L228-I268 HydrophobicContact CB-CG2 4.13Å; L228-I268 HydrophobicContact CD2-CG2 4.1Å; L228-E271 HydrophobicContact CD1-CB 4.02Å; L228-E271 HydrophobicContact CD2-CB 4.06Å; L228-V272 HydrophobicContact CB-CG2 3.85Å; L228-V272 HydrophobicContact CD1-CB 4.23Å; L228-V272 HydrophobicContact CD1-CG2 3.47Å; L228-V272 VanDerWaalsContact CD1-CG2 3.47Å; L228-V272 HydrophobicContact CG-CG2 4.26Å; L228-L275 HydrophobicContact CD1-CD1 3.83Å; L228-A306 HydrophobicContact CB-CB 4.5Å
229	G	91.7	Very high	77.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-30.5	177.5	0	0	0	0	0	113.5	F225 M232 N233 N302	F225-G229 PolarHBondContact O-N 3.31Å; G229-M232 PolarHBondContact O-N 3.12Å; G229-N233 WeakPolarHBondContact O-CB 3Å; G229-N233 PolarHBondContact O-N 3.22Å; G229-N233 PolarHBondContact O-ND2 3.41Å; G229-N302 WeakPolarHBondContact CA-O 3.21Å
230	K	89.7	Confident	74.6	Confident	58 Å²	58	41.3 Å²	41.3	25%	0.252	23%	0.228	S	C	.	.	H	α-helix	trans	-70.4	-32.8	172.3	-171.2	168.7	-175.2	166	0	112.6	K195 E226 C227 L228 K234 N302	K195-K230 PolarHBondContact O-NZ 2.83Å; E226-K230 WeakPolarHBondContact O-CB 3.34Å; E226-K230 PolarHBondContact O-N 2.8Å; C227-K230 PolarHBondContact O-N 3.24Å; L228-K230 PolarHBondContact O-N 3.4Å; K230-K234 WeakPolarHBondContact O-CG 3.16Å; K230-K234 PolarHBondContact O-N 3.09Å; K230-N302 HydrophobicContact CB-CB 4.42Å
231	L	88.7	Confident	71.4	Confident	29 Å²	29	47.7 Å²	47.7	15%	0.152	27%	0.269	C	S	.	.	H	α-helix	trans	-67.3	-46.2	170.6	-67.9	169.5	0	0	0	110.4	W199 C227 L228 N233 K234 D235 I263 I268	W199-L231 HydrophobicContact CB-CD1 3.8Å; W199-L231 HydrophobicContact CG-CD1 4.3Å; C227-L231 WeakPolarHBondContact O-CG 3.46Å; C227-L231 PolarHBondContact O-N 3.17Å; C227-L231 VanDerWaalsContact O-N 3.16Å; L228-L231 WeakPolarHBondContact O-CA 3.5Å; L228-L231 WeakPolarHBondContact O-CB 3.48Å; L228-L231 PolarHBondContact O-N 3.13Å; L231-N233 PolarHBondContact O-N 3.4Å; L231-K234 WeakPolarHBondContact O-CB 3.49Å; L231-K234 PolarHBondContact O-N 2.7Å; L231-K234 VanDerWaalsContact O-N 3.08Å; L231-D235 PolarHBondContact O-N 3.42Å; L231-I263 HydrophobicContact CD1-CD1 4.21Å; L231-I268 HydrophobicContact CB-CD1 4.08Å
232	M	87.7	Confident	68.2	Low	1 Å²	1	52.8 Å²	52.8	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-58.1	-44.7	176.5	-62	165.2	78.9	0	0	112.2	L228 G229 K234 D235 M265 I268 T305 A306 Y309	L228-M232 VanDerWaalsContact O-CG 3.31Å; L228-M232 WeakPolarHBondContact O-CG 3.39Å; L228-M232 PolarHBondContact O-N 3.43Å; G229-M232 PolarHBondContact O-N 3.12Å; M232-K234 VanDerWaalsContact C-N 3.27Å; M232-K234 PolarHBondContact O-N 3.26Å; M232-D235 CarbonylContact O-C 3.55Å; M232-D235 PolarHBondContact O-N 3.32Å; M232-M265 HydrophobicContact CB-CE 3.99Å; M232-M265 HydrophobicContact CB-SD 4.23Å; M232-M265 HydrophobicContact CE-CE 3.33Å; M232-M265 HydrophobicContact CE-SD 4.26Å; M232-M265 HydrophobicContact CG-CE 3.92Å; M232-M265 HydrophobicContact CG-SD 3.89Å; M232-I268 HydrophobicContact CG-CB 4.45Å; M232-I268 HydrophobicContact CG-CD1 4.38Å; M232-I268 HydrophobicContact CG-CG2 3.52Å; M232-I268 HydrophobicContact SD-CG2 3.88Å; M232-T305 HydrophobicContact CB-CG2 3.93Å; M232-T305 HydrophobicContact CE-CG2 4.07Å; M232-T305 HydrophobicContact SD-CG2 4.14Å; M232-A306 HydrophobicContact SD-CB 4.26Å; M232-Y309 VanDerWaalsContact CE-CB 3.43Å; M232-Y309 HydrophobicContact CE-CD1 3.73Å; M232-Y309 HydrophobicContact CE-CD2 3.68Å; M232-Y309 HydrophobicContact CE-CE1 4.41Å; M232-Y309 HydrophobicContact CE-CE2 4.37Å; M232-Y309 HydrophobicContact CE-CG 3.32Å
233	N	84.1	Confident	64.9	Low	47 Å²	47	57.9 Å²	57.9	25%	0.251	34%	0.341	S	S	.	.	H	α-helix	trans	-70.8	-17.6	179	-78.5	-43.4	0	0	0	113.7	G229 L231 N302 T305	G229-N233 WeakPolarHBondContact O-CB 3Å; G229-N233 PolarHBondContact O-N 3.22Å; G229-N233 PolarHBondContact O-ND2 3.41Å; L231-N233 PolarHBondContact O-N 3.4Å; N233-N302 PolarHBondContact ND2-OD1 3.41Å; N233-T305 PolarHBondContact ND2-OG1 2.92Å; N233-T305 VanDerWaalsContact ND2-OG1 3.17Å
234	K	75.3	Confident	61.8	Low	115 Å²	115	66.5 Å²	66.5	50%	0.5	38%	0.381	S	S	.	.	H	α-helix	trans	-77.4	-34.1	170.5	-78	175.5	-179.8	176	0	111.4	K230 L231 M232 G236	K230-K234 WeakPolarHBondContact O-CG 3.16Å; K230-K234 PolarHBondContact O-N 3.09Å; L231-K234 WeakPolarHBondContact O-CB 3.49Å; L231-K234 PolarHBondContact O-N 2.7Å; L231-K234 VanDerWaalsContact O-N 3.08Å; M232-K234 VanDerWaalsContact C-N 3.27Å; M232-K234 PolarHBondContact O-N 3.26Å; K234-G236 VanDerWaalsContact C-N 3.28Å; K234-G236 PolarHBondContact O-N 3.3Å; K234-G236 VanDerWaalsContact O-N 3.13Å
235	D	50.9	Low	58.6	Low	61 Å²	61	71.6 Å²	71.6	33%	0.326	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	57.3	178.9	-67.9	-29	0	0	0	111.6	L231 M232 S237	L231-D235 PolarHBondContact O-N 3.42Å; M232-D235 CarbonylContact O-C 3.55Å; M232-D235 PolarHBondContact O-N 3.32Å; D235-S237 VanDerWaalsContact C-N 3.28Å; D235-S237 PolarHBondContact O-N 2.99Å
236	G	39.1	Very low	55.1	Low	72 Å²	72	80.7 Å²	80.7	74%	0.742	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	-2.4	154.5	0	0	0	0	0	121.6	K234 Q238	K234-G236 VanDerWaalsContact C-N 3.28Å; K234-G236 PolarHBondContact O-N 3.3Å; K234-G236 VanDerWaalsContact O-N 3.13Å; G236-Q238 PolarHBondContact O-N 3.26Å
237	S	35.2	Very low	51.9	Low	59 Å²	59	86.5 Å²	86.5	41%	0.413	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-81.2	116.4	-174.9	62.1	0	0	0	0	113	D235	D235-S237 VanDerWaalsContact C-N 3.28Å; D235-S237 PolarHBondContact O-N 2.99Å
238	Q	27.1	Very low	48.6	Very low	193 Å²	193	93.8 Å²	93.8	90%	0.902	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-80.3	136	169.3	-69.9	-177.8	-2.8	0	0	110.7	G236	G236-Q238 PolarHBondContact O-N 3.26Å
239	F	29.5	Very low	45.4	Very low	117 Å²	117	99.3 Å²	99.3	51%	0.513	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-60.1	147.8	167.6	-101.7	-92.8	0	0	0	110.9	L308	F239-L308 HydrophobicContact CE1-CD1 4.49Å; F239-L308 HydrophobicContact CZ-CD1 4.39Å
240	P	27.4	Very low	42.2	Very low	106 Å²	106	107.8 Å²	107.8	69%	0.688	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-63.1	140.5	161.5	25.3	-29.8	0	0	0	110	S242	P240-S242 PolarHBondContact O-N 3.4Å
241	P	24.9	Very low	39.2	Very low	135 Å²	135	112.3 Å²	112.3	88%	0.877	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-70	117.7	-163.3	25.9	-33.4	0	0	0	112.6
242	S	28.1	Very low	36.2	Very low	110 Å²	110	120.9 Å²	120.9	77%	0.769	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-95.2	133.8	157	65.8	0	0	0	0	109.6	P240	P240-S242 PolarHBondContact O-N 3.4Å
243	S	23	Very low	33.3	Very low	107 Å²	107	125 Å²	125	75%	0.748	71%	0.707	S	S	*	*	S	Bend	trans	-42.9	133.9	-177.8	48.5	0	0	0	0	117
244	H	28.6	Very low	30.6	Very low	184 Å²	184	132.1 Å²	132.1	85%	0.852	74%	0.736	S	S	*	*			trans	103.9	145.9	160.7	-73.5	-56.3	0	0	0	120.5
245	P	27	Very low	28.1	Very low	106 Å²	106	134.5 Å²	134.5	69%	0.688	75%	0.754	S	S	*	*			trans	-114.7	147.9	-133	39	-28.8	0	0	0	117.5
246	Q	21.6	Very low	26.9	Very low	191 Å²	191	143.5 Å²	143.5	89%	0.893	78%	0.784	S	S	*	*			trans	34.6	117.2	138.8	-59.1	-177.5	-3.8	0	0	120.8
247	S	24.5	Very low	26.3	Very low	124 Å²	124	146.1 Å²	146.1	87%	0.867	78%	0.78	S	S	*	*				-167	155	111.6	77	0	0	0	0	112.9
248	I	22.8	Very low	26.1	Very low	153 Å²	153	148.8 Å²	148.8	79%	0.785	79%	0.794	S	S	*	*			trans	-96.8	143.1	-164.9	-68.1	157.1	0	0	0	111
249	S	27.6	Very low	26.4	Very low	117 Å²	117	145.9 Å²	145.9	82%	0.818	79%	0.792	S	S	*	*			trans	-153.3	135	149.2	-173.1	0	0	0	0	113.3
250	K	23.5	Very low	26.7	Very low	178 Å²	178	148.8 Å²	148.8	77%	0.774	80%	0.804	S	S	*	*			trans	-91.3	119.1	-171.3	-66	170.2	175.7	172.8	0	110.3
251	N	26.2	Very low	27.4	Very low	153 Å²	153	148.8 Å²	148.8	82%	0.818	81%	0.807	S	S	*	*			trans	-109.3	105.9	165.2	-87.6	-25.4	0	0	0	110.6	A253	N251-A253 PolarHBondContact O-N 3.07Å
252	K	27.3	Very low	28.6	Very low	210 Å²	210	147.6 Å²	147.6	91%	0.913	80%	0.797	S	S	*	*			trans	-85.9	97.3	172.5	-77	-179.7	174	-179.9	0	109.7
253	A	25.7	Very low	30.3	Very low	86 Å²	86	145.3 Å²	145.3	71%	0.711	78%	0.775	S	S	*	*			trans	-156.7	0.3	163.1	0	0	0	0	0	116.5	N251	N251-A253 PolarHBondContact O-N 3.07Å
254	F	26.6	Very low	32.8	Very low	197 Å²	197	143.3 Å²	143.3	86%	0.864	76%	0.76	S	S	*	*			trans	-125.4	42.5	-174.5	-82.1	-80.8	0	0	0	114.7
255	N	24	Very low	35.4	Very low	165 Å²	165	137.2 Å²	137.2	88%	0.882	73%	0.732	S	S	*	*			trans	-106	78.5	171.9	-76.9	-1	0	0	0	111.2
256	R	24.8	Very low	38.1	Very low	250 Å²	250	139.9 Å²	139.9	94%	0.943	74%	0.736	S	S	*	*			trans	-139.4	66.9	153.8	-78.4	-167.5	-178.9	178.3	0.7	109.1
257	L	27.9	Very low	41.3	Very low	128 Å²	128	137.1 Å²	137.1	67%	0.67	72%	0.721	S	S	*	*			trans	-132.5	112.3	161.9	-82.7	164	0	0	0	106.8
258	T	29.8	Very low	44.3	Very low	114 Å²	114	131.4 Å²	131.4	70%	0.699	68%	0.68	S	S	*	*			trans	-60.1	137.5	172.8	44.7	0	0	0	0	110.4	K260	T258-K260 PolarHBondContact O-N 3.13Å; T258-K260 VanDerWaalsContact O-N 3.12Å
259	P	32.9	Very low	47.5	Very low	132 Å²	132	124.4 Å²	124.4	86%	0.857	65%	0.647	S	S	*	*			trans	-76	101	173.8	30.3	-29.2	0	0	0	108.5
260	K	36.4	Very low	50.6	Low	178 Å²	178	123.7 Å²	123.7	77%	0.774	63%	0.63	S	S	*	*			trans	-123.7	119.5	167.4	-76	-170.7	174.9	-175	0	107.6	T258	T258-K260 PolarHBondContact O-N 3.13Å; T258-K260 VanDerWaalsContact O-N 3.12Å
261	S	41.5	Very low	53.9	Low	106 Å²	106	118.5 Å²	118.5	74%	0.741	61%	0.609	S	S	*	*			trans	54.9	105.3	177.1	61.8	0	0	0	0	116.2	I263	S261-I263 PolarHBondContact O-N 2.92Å
262	V	51.7	Low	57.1	Low	111 Å²	111	111.2 Å²	111.2	67%	0.673	57%	0.57	S	S	*	*			trans	-58.5	115.5	158.2	178.8	0	0	0	0	106.6	P264	V262-P264 WeakPolarHBondContact O-CD 3.24Å
263	I	63	Low	60.3	Low	61 Å²	61	105.4 Å²	105.4	31%	0.313	55%	0.546	S	S	.	.			trans	-74	124.5	173.3	-59.8	172.5	0	0	0	105.4	L231 S261 M265 K267 I268	L231-I263 HydrophobicContact CD1-CD1 4.21Å; S261-I263 PolarHBondContact O-N 2.92Å; I263-M265 PolarHBondContact O-N 3.04Å; I263-K267 HydrophobicContact CG2-CB 4.03Å; I263-I268 HydrophobicContact CB-CD1 4.19Å; I263-I268 HydrophobicContact CB-CG1 4.11Å; I263-I268 HydrophobicContact CG2-CD1 4.31Å; I263-I268 HydrophobicContact CG2-CG1 3.68Å
264	P	76.2	Confident	63.5	Low	65 Å²	65	104.5 Å²	104.5	42%	0.422	53%	0.529	S	S	.	.			trans	-52.6	134.6	177.7	-25.5	32.3	0	0	0	111.1	V262 E266 K267 I268	V262-P264 WeakPolarHBondContact O-CD 3.24Å; P264-E266 PolarHBondContact O-N 3.24Å; P264-E266 VanDerWaalsContact O-N 3.15Å; P264-K267 HydrophobicContact CB-CG 4.25Å; P264-K267 HydrophobicContact CG-CD 4.24Å; P264-K267 HydrophobicContact CG-CG 4.4Å; P264-K267 WeakPolarHBondContact O-CA 3.49Å; P264-K267 WeakPolarHBondContact O-CB 3.21Å; P264-K267 PolarHBondContact O-N 3.04Å; P264-I268 PolarHBondContact O-N 2.85Å
265	M	82.9	Confident	66.8	Low	56 Å²	56	95.6 Å²	95.6	28%	0.276	49%	0.49	S	S	.	.	H	α-helix	trans	-54.7	-36.4	-177.4	-168.1	67.9	162.9	0	0	112.3	M232 I263 K267 I268 G269 Y309	M232-M265 HydrophobicContact CB-CE 3.99Å; M232-M265 HydrophobicContact CB-SD 4.23Å; M232-M265 HydrophobicContact CE-CE 3.33Å; M232-M265 HydrophobicContact CE-SD 4.26Å; M232-M265 HydrophobicContact CG-CE 3.92Å; M232-M265 HydrophobicContact CG-SD 3.89Å; I263-M265 PolarHBondContact O-N 3.04Å; M265-K267 VanDerWaalsContact C-N 3.33Å; M265-K267 PolarHBondContact O-N 3.36Å; M265-I268 PolarHBondContact O-N 3.39Å; M265-G269 PolarHBondContact O-N 2.86Å; M265-Y309 HydrophobicContact CE-CD2 3.97Å; M265-Y309 HydrophobicContact CE-CE2 3.69Å; M265-Y309 HydrophobicContact CG-CE2 4.22Å
266	E	84.3	Confident	70.1	Confident	163 Å²	163	87.9 Å²	87.9	76%	0.762	45%	0.449	S	S	*	.	H	α-helix	trans	-59	-40.6	174.7	-65.4	174.3	-179.2	0	0	112.6	P264 G269 H270	P264-E266 PolarHBondContact O-N 3.24Å; P264-E266 VanDerWaalsContact O-N 3.15Å; E266-G269 PolarHBondContact O-N 3.46Å; E266-H270 PolarHBondContact O-N 2.92Å
267	K	87.3	Confident	73.4	Confident	133 Å²	133	79.4 Å²	79.4	58%	0.578	42%	0.422	S	S	*	.	H	α-helix	trans	-67.4	-41	176.3	-66.6	-168.5	-176.4	-178.4	0	111.1	I263 P264 M265 G269 H270 E271	I263-K267 HydrophobicContact CG2-CB 4.03Å; P264-K267 HydrophobicContact CB-CG 4.25Å; P264-K267 HydrophobicContact CG-CD 4.24Å; P264-K267 HydrophobicContact CG-CG 4.4Å; P264-K267 WeakPolarHBondContact O-CA 3.49Å; P264-K267 WeakPolarHBondContact O-CB 3.21Å; P264-K267 PolarHBondContact O-N 3.04Å; M265-K267 VanDerWaalsContact C-N 3.33Å; M265-K267 PolarHBondContact O-N 3.36Å; K267-G269 VanDerWaalsContact C-N 3.32Å; K267-H270 PolarHBondContact O-N 3.39Å; K267-E271 WeakPolarHBondContact O-CG 3.23Å; K267-E271 PolarHBondContact O-N 3.17Å
268	I	88	Confident	76.5	Confident	3 Å²	3	74.4 Å²	74.4	2%	0.015	40%	0.399	C	S	.	.	H	α-helix	trans	-61.8	-45	175.6	-60.7	173.8	0	0	0	110	L228 L231 M232 I263 P264 M265 H270 E271 V272	L228-I268 HydrophobicContact CB-CG2 4.13Å; L228-I268 HydrophobicContact CD2-CG2 4.1Å; L231-I268 HydrophobicContact CB-CD1 4.08Å; M232-I268 HydrophobicContact CG-CB 4.45Å; M232-I268 HydrophobicContact CG-CD1 4.38Å; M232-I268 HydrophobicContact CG-CG2 3.52Å; M232-I268 HydrophobicContact SD-CG2 3.88Å; I263-I268 HydrophobicContact CB-CD1 4.19Å; I263-I268 HydrophobicContact CB-CG1 4.11Å; I263-I268 HydrophobicContact CG2-CD1 4.31Å; I263-I268 HydrophobicContact CG2-CG1 3.68Å; P264-I268 PolarHBondContact O-N 2.85Å; M265-I268 PolarHBondContact O-N 3.39Å; I268-H270 PolarHBondContact O-N 3.5Å; I268-E271 PolarHBondContact O-N 3.31Å; I268-V272 WeakPolarHBondContact O-CG2 3.42Å; I268-V272 PolarHBondContact O-N 3.19Å
269	G	90	Very high	79.5	Confident	7 Å²	7	69 Å²	69	7%	0.072	37%	0.366	C	S	.	.	H	α-helix	trans	-55.7	-47	175.6	0	0	0	0	0	113.2	M265 E266 K267 E271 V272 E273 V310	M265-G269 PolarHBondContact O-N 2.86Å; E266-G269 PolarHBondContact O-N 3.46Å; K267-G269 VanDerWaalsContact C-N 3.32Å; G269-E271 PolarHBondContact O-N 3.18Å; G269-V272 WeakPolarHBondContact O-CB 3.23Å; G269-V272 PolarHBondContact O-N 2.69Å; G269-V272 VanDerWaalsContact O-N 3.15Å; G269-E273 PolarHBondContact O-N 2.85Å; G269-V310 WeakPolarHBondContact O-CG2 3.47Å
270	H	92.1	Very high	82.3	Confident	101 Å²	101	67.1 Å²	67.1	47%	0.468	35%	0.346	S	S	.	.	H	α-helix	trans	-63.6	-39	177.8	-171.3	60.2	0	0	0	112.6	E266 K267 I268 V272 E273 N274	E266-H270 PolarHBondContact O-N 2.92Å; K267-H270 PolarHBondContact O-N 3.39Å; I268-H270 PolarHBondContact O-N 3.5Å; H270-V272 VanDerWaalsContact C-N 3.32Å; H270-V272 PolarHBondContact O-N 3.46Å; H270-E273 IonicContact ND1-OE2 3.94Å; H270-E273 PolarHBondContact O-N 3.36Å; H270-N274 PolarHBondContact CD2-ND2 2.95Å; H270-N274 PolarHBondContact NE2-ND2 3.45Å; H270-N274 VanDerWaalsContact O-CG 3.23Å; H270-N274 PolarHBondContact O-N 3.5Å; H270-N274 PolarHBondContact O-ND2 3.3Å
271	E	92.8	Very high	85	Confident	70 Å²	70	67 Å²	67	33%	0.327	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-35.5	173.5	-67.3	-66.3	172.3	0	0	112.5	W199 L228 K267 I268 G269 L275	W199-E271 HydrophobicContact CH2-CB 4.39Å; W199-E271 HydrophobicContact CZ2-CB 3.81Å; W199-E271 HydrophobicContact CZ2-CG 4.01Å; L228-E271 HydrophobicContact CD1-CB 4.02Å; L228-E271 HydrophobicContact CD2-CB 4.06Å; K267-E271 WeakPolarHBondContact O-CG 3.23Å; K267-E271 PolarHBondContact O-N 3.17Å; I268-E271 PolarHBondContact O-N 3.31Å; G269-E271 PolarHBondContact O-N 3.18Å; E271-L275 WeakPolarHBondContact O-CG 3.5Å; E271-L275 PolarHBondContact O-N 2.9Å; E271-L275 VanDerWaalsContact O-N 3.11Å
272	V	93.1	Very high	87.3	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65	-45.3	173.4	175	0	0	0	0	110.4	F225 L228 I268 G269 H270 L275 I276 A306 V310	F225-V272 HydrophobicContact CD1-CG1 4.3Å; F225-V272 HydrophobicContact CE1-CG1 4.42Å; L228-V272 HydrophobicContact CB-CG2 3.85Å; L228-V272 HydrophobicContact CD1-CB 4.23Å; L228-V272 HydrophobicContact CD1-CG2 3.47Å; L228-V272 VanDerWaalsContact CD1-CG2 3.47Å; L228-V272 HydrophobicContact CG-CG2 4.26Å; I268-V272 WeakPolarHBondContact O-CG2 3.42Å; I268-V272 PolarHBondContact O-N 3.19Å; G269-V272 WeakPolarHBondContact O-CB 3.23Å; G269-V272 PolarHBondContact O-N 2.69Å; G269-V272 VanDerWaalsContact O-N 3.15Å; H270-V272 VanDerWaalsContact C-N 3.32Å; H270-V272 PolarHBondContact O-N 3.46Å; V272-L275 PolarHBondContact O-N 3.34Å; V272-I276 HydrophobicContact CG1-CD1 3.88Å; V272-I276 HydrophobicContact CG1-CG1 4.39Å; V272-I276 WeakPolarHBondContact O-CG1 3.41Å; V272-I276 PolarHBondContact O-N 3.24Å; V272-A306 HydrophobicContact CG1-CB 4.37Å; V272-A306 WeakPolarHBondContact CG1-O 3.47Å; V272-A306 HydrophobicContact CG2-CB 3.92Å; V272-V310 HydrophobicContact CB-CG2 3.68Å; V272-V310 HydrophobicContact CG1-CB 4.14Å; V272-V310 HydrophobicContact CG1-CG2 3.52Å
273	E	94.8	Very high	89	Confident	88 Å²	88	62.4 Å²	62.4	41%	0.411	33%	0.325	S	S	.	.	H	α-helix	trans	-58.6	-49.5	177.7	-171.6	172.2	-148.7	0	0	111.2	G269 H270 L275 I276 D277 V310	G269-E273 PolarHBondContact O-N 2.85Å; H270-E273 IonicContact ND1-OE2 3.94Å; H270-E273 PolarHBondContact O-N 3.36Å; E273-L275 VanDerWaalsContact C-N 3.26Å; E273-L275 PolarHBondContact O-N 3.43Å; E273-I276 WeakPolarHBondContact O-CB 3.43Å; E273-I276 PolarHBondContact O-N 3.24Å; E273-D277 PolarHBondContact O-N 3.15Å; E273-V310 HydrophobicContact CB-CG1 4Å; E273-V310 HydrophobicContact CG-CG1 4.22Å
274	N	93.9	Very high	90.3	Very high	66 Å²	66	61.4 Å²	61.4	35%	0.353	32%	0.319	S	S	.	.	H	α-helix	trans	-57.6	-37.2	176	-70	-27.1	0	0	0	112.9	H270 A278	H270-N274 PolarHBondContact CD2-ND2 2.95Å; H270-N274 PolarHBondContact NE2-ND2 3.45Å; H270-N274 VanDerWaalsContact O-CG 3.23Å; H270-N274 PolarHBondContact O-N 3.5Å; H270-N274 PolarHBondContact O-ND2 3.3Å; N274-A278 VanDerWaalsContact O-CB 3.23Å; N274-A278 WeakPolarHBondContact O-CB 3.49Å; N274-A278 PolarHBondContact O-N 3.36Å; N274-A278 VanDerWaalsContact O-N 3.09Å
275	L	94.2	Very high	90.8	Very high	11 Å²	11	62.1 Å²	62.1	6%	0.058	32%	0.319	C	S	.	.	H	α-helix	trans	-71.9	-35.8	175.7	-79.7	-171.9	0	0	0	113.1	W199 Y202 L206 Y221 F225 L228 E271 V272 E273 A279	W199-L275 HydrophobicContact CH2-CD1 3.72Å; W199-L275 HydrophobicContact CH2-CG 4.18Å; W199-L275 HydrophobicContact CZ3-CD1 3.92Å; Y202-L275 HydrophobicContact CE1-CD1 4.16Å; Y202-L275 HydrophobicContact CE1-CD2 4.24Å; L206-L275 HydrophobicContact CD1-CD2 3.83Å; Y221-L275 HydrophobicContact CD1-CD2 4.09Å; Y221-L275 HydrophobicContact CE1-CD2 4.17Å; F225-L275 HydrophobicContact CD1-CB 4.29Å; F225-L275 HydrophobicContact CD1-CD1 4.21Å; F225-L275 HydrophobicContact CE1-CB 3.53Å; F225-L275 HydrophobicContact CE1-CD1 4.24Å; F225-L275 HydrophobicContact CZ-CB 4.21Å; L228-L275 HydrophobicContact CD1-CD1 3.83Å; E271-L275 WeakPolarHBondContact O-CG 3.5Å; E271-L275 PolarHBondContact O-N 2.9Å; E271-L275 VanDerWaalsContact O-N 3.11Å; V272-L275 PolarHBondContact O-N 3.34Å; E273-L275 VanDerWaalsContact C-N 3.26Å; E273-L275 PolarHBondContact O-N 3.43Å; L275-A279 VanDerWaalsContact O-CB 3.32Å; L275-A279 WeakPolarHBondContact O-CB 3.42Å; L275-A279 PolarHBondContact O-N 3.14Å
276	I	93.9	Very high	90.9	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-64.5	-51.9	175.6	-71.4	170	0	0	0	109.2	F225 V272 E273 A278 A279 E280 L286 L307 V310 R311	F225-I276 HydrophobicContact CE1-CG1 3.73Å; F225-I276 HydrophobicContact CZ-CG1 3.78Å; V272-I276 HydrophobicContact CG1-CD1 3.88Å; V272-I276 HydrophobicContact CG1-CG1 4.39Å; V272-I276 WeakPolarHBondContact O-CG1 3.41Å; V272-I276 PolarHBondContact O-N 3.24Å; E273-I276 WeakPolarHBondContact O-CB 3.43Å; E273-I276 PolarHBondContact O-N 3.24Å; I276-A278 VanDerWaalsContact C-N 3.33Å; I276-A278 PolarHBondContact O-N 3.22Å; I276-A279 PolarHBondContact O-N 3.24Å; I276-E280 HydrophobicContact CG2-CG 4.46Å; I276-E280 WeakPolarHBondContact O-CG 3.46Å; I276-E280 PolarHBondContact O-N 2.81Å; I276-L286 HydrophobicContact CB-CD1 4.23Å; I276-L286 HydrophobicContact CG1-CD1 4Å; I276-L286 HydrophobicContact CG2-CD1 3.93Å; I276-L307 HydrophobicContact CD1-CD2 4.23Å; I276-L307 HydrophobicContact CG1-CD2 4.23Å; I276-V310 HydrophobicContact CD1-CB 4.08Å; I276-V310 HydrophobicContact CD1-CG1 4.11Å; I276-R311 HydrophobicContact CD1-CG 4.03Å
277	D	94.6	Very high	90.9	Very high	72 Å²	72	54 Å²	54	39%	0.385	28%	0.284	S	S	.	.	H	α-helix	trans	-59.6	-44.9	-178.5	-67.3	-14.8	0	0	0	111	E273 A279 E280 E281	E273-D277 PolarHBondContact O-N 3.15Å; D277-A279 VanDerWaalsContact C-N 3.32Å; D277-A279 PolarHBondContact O-N 3.08Å; D277-E280 PolarHBondContact O-N 3.04Å; D277-E281 WeakPolarHBondContact O-CB 3.29Å; D277-E281 PolarHBondContact O-N 3.49Å
278	A	93.1	Very high	90.6	Very high	23 Å²	23	51 Å²	51	19%	0.19	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-32.9	176.3	0	0	0	0	0	113.3	Y221 N274 I276 E282	Y221-A278 HydrophobicContact CE1-CB 4.04Å; Y221-A278 PolarHBondContact OH-O 2.84Å; N274-A278 VanDerWaalsContact O-CB 3.23Å; N274-A278 WeakPolarHBondContact O-CB 3.49Å; N274-A278 PolarHBondContact O-N 3.36Å; N274-A278 VanDerWaalsContact O-N 3.09Å; I276-A278 VanDerWaalsContact C-N 3.33Å; I276-A278 PolarHBondContact O-N 3.22Å; A278-E282 WeakPolarHBondContact O-CG 3.1Å; A278-E282 PolarHBondContact O-N 3.04Å
279	A	92.6	Very high	89.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-72.9	-40.3	177	0	0	0	0	0	111.7	Y221 L275 I276 D277 E282 G283 H284 L286	Y221-A279 HydrophobicContact CD1-CB 3.87Å; Y221-A279 HydrophobicContact CD2-CB 3.82Å; Y221-A279 HydrophobicContact CE1-CB 4.13Å; Y221-A279 HydrophobicContact CE2-CB 4.05Å; Y221-A279 HydrophobicContact CG-CB 3.71Å; L275-A279 VanDerWaalsContact O-CB 3.32Å; L275-A279 WeakPolarHBondContact O-CB 3.42Å; L275-A279 PolarHBondContact O-N 3.14Å; I276-A279 PolarHBondContact O-N 3.24Å; D277-A279 VanDerWaalsContact C-N 3.32Å; D277-A279 PolarHBondContact O-N 3.08Å; A279-E282 PolarHBondContact O-N 2.88Å; A279-G283 PolarHBondContact O-N 2.94Å; A279-H284 HydrophobicContact CB-CB 4.43Å; A279-H284 WeakPolarHBondContact O-CB 3.33Å; A279-H284 PolarHBondContact O-CD2 3.29Å; A279-H284 PolarHBondContact O-N 2.85Å; A279-L286 HydrophobicContact CB-CD1 4.46Å; A279-L286 HydrophobicContact CB-CD2 3.86Å; A279-L286 HydrophobicContact CB-CG 4.47Å
280	E	92	Very high	89.4	Confident	94 Å²	94	51.3 Å²	51.3	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-73.2	-38.7	-179.9	-69.8	-177.8	172.9	0	0	112.2	I276 D277 E282 G283 L286	I276-E280 HydrophobicContact CG2-CG 4.46Å; I276-E280 WeakPolarHBondContact O-CG 3.46Å; I276-E280 PolarHBondContact O-N 2.81Å; D277-E280 PolarHBondContact O-N 3.04Å; E280-E282 PolarHBondContact O-N 3.1Å; E280-G283 WeakPolarHBondContact O-CA 3.41Å; E280-G283 PolarHBondContact O-N 3.23Å; E280-L286 HydrophobicContact CG-CD1 4.48Å
281	E	92.3	Very high	88.5	Confident	176 Å²	176	47.4 Å²	47.4	82%	0.822	26%	0.259	S	S	*	.	H	α-helix	trans	-58.5	-35.8	172.5	-172.9	-179.3	-175.7	0	0	111.5	D277 G283	D277-E281 WeakPolarHBondContact O-CB 3.29Å; D277-E281 PolarHBondContact O-N 3.49Å; E281-G283 PolarHBondContact O-N 3.13Å
282	E	89.9	Confident	87.6	Confident	54 Å²	54	46 Å²	46	25%	0.252	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-0.4	174.1	-70.1	-179.3	-170	0	0	114	P216 Y221 A278 A279 E280 H284	P216-E282 WeakPolarHBondContact CD-OE1 3.49Å; Y221-E282 VanDerWaalsContact CE2-OE2 3.28Å; Y221-E282 WeakPolarHBondContact CE2-OE2 3.37Å; Y221-E282 PolarHBondContact OH-OE1 3.36Å; Y221-E282 PolarHBondContact OH-OE2 3.12Å; A278-E282 WeakPolarHBondContact O-CG 3.1Å; A278-E282 PolarHBondContact O-N 3.04Å; A279-E282 PolarHBondContact O-N 2.88Å; E280-E282 PolarHBondContact O-N 3.1Å; E282-H284 IonicContact OE2-CD2 3.05Å; E282-H284 IonicContact OE2-NE2 2.72Å; E282-H284 PolarHBondContact OE2-NE2 2.9Å
283	G	88.1	Confident	86.8	Confident	65 Å²	65	46.3 Å²	46.3	67%	0.67	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	21.6	176.4	0	0	0	0	0	115	A279 E280 E281	A279-G283 PolarHBondContact O-N 2.94Å; E280-G283 WeakPolarHBondContact O-CA 3.41Å; E280-G283 PolarHBondContact O-N 3.23Å; E281-G283 PolarHBondContact O-N 3.13Å
284	H	89.4	Confident	85.6	Confident	41 Å²	41	42.4 Å²	42.4	19%	0.19	25%	0.247	C	C	.	.			trans	-85.4	121.7	177.3	-56.3	-64.3	0	0	0	111.5	K218 Y221 A279 E282 L286	K218-H284 HydrophobicContact CB-CB 4.34Å; K218-H284 HydrophobicContact CD-CB 4.41Å; K218-H284 HydrophobicContact CG-CB 4.14Å; Y221-H284 AromaticContact CD2-CD2 3.8Å; Y221-H284 AromaticContact CE2-CD2 3.61Å; Y221-H284 AromaticContact CE2-NE2 3.8Å; A279-H284 HydrophobicContact CB-CB 4.43Å; A279-H284 WeakPolarHBondContact O-CB 3.33Å; A279-H284 PolarHBondContact O-CD2 3.29Å; A279-H284 PolarHBondContact O-N 2.85Å; E282-H284 IonicContact OE2-CD2 3.05Å; E282-H284 IonicContact OE2-NE2 2.72Å; E282-H284 PolarHBondContact OE2-NE2 2.9Å; H284-L286 PolarHBondContact O-N 3.44Å
285	D	86.9	Confident	84.5	Confident	79 Å²	79	39.8 Å²	39.8	42%	0.422	23%	0.233	S	C	.	.			trans	-76.8	108.1	170.7	179.3	-1.7	0	0	0	111.1	T287 Q288	D285-T287 VanDerWaalsContact C-N 3.27Å; D285-T287 PolarHBondContact O-N 3.49Å; D285-T287 WeakPolarHBondContact OD1-CA 2.9Å; D285-T287 WeakPolarHBondContact OD1-CB 3.29Å; D285-T287 PolarHBondContact OD1-N 2.98Å; D285-T287 PolarHBondContact OD1-OG1 3.27Å; D285-T287 PolarHBondContact OD2-OG1 3.42Å; D285-Q288 PolarHBondContact O-N 3.34Å; D285-Q288 WeakPolarHBondContact OD2-CG 3.37Å
286	L	86.6	Confident	83.6	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.021	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.8	-179.9	-60.7	-175.1	0	0	0	113.9	F222 F225 I276 A279 E280 H284 Q288 L307 I314	F222-L286 HydrophobicContact CZ-CD2 4.47Å; F225-L286 HydrophobicContact CE2-CD1 4.2Å; F225-L286 HydrophobicContact CE2-CD2 3.9Å; F225-L286 HydrophobicContact CZ-CD1 4.06Å; F225-L286 HydrophobicContact CZ-CD2 4.37Å; I276-L286 HydrophobicContact CB-CD1 4.23Å; I276-L286 HydrophobicContact CG1-CD1 4Å; I276-L286 HydrophobicContact CG2-CD1 3.93Å; A279-L286 HydrophobicContact CB-CD1 4.46Å; A279-L286 HydrophobicContact CB-CD2 3.86Å; A279-L286 HydrophobicContact CB-CG 4.47Å; E280-L286 HydrophobicContact CG-CD1 4.48Å; H284-L286 PolarHBondContact O-N 3.44Å; L286-Q288 VanDerWaalsContact C-N 3.29Å; L286-L307 HydrophobicContact CD1-CD2 4.38Å; L286-I314 HydrophobicContact CB-CD1 4.14Å
287	T	83	Confident	82.7	Confident	44 Å²	44	48 Å²	48	27%	0.27	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-14.2	175.9	73.9	0	0	0	0	112.3	D285 I314 N317	D285-T287 VanDerWaalsContact C-N 3.27Å; D285-T287 PolarHBondContact O-N 3.49Å; D285-T287 WeakPolarHBondContact OD1-CA 2.9Å; D285-T287 WeakPolarHBondContact OD1-CB 3.29Å; D285-T287 PolarHBondContact OD1-N 2.98Å; D285-T287 PolarHBondContact OD1-OG1 3.27Å; D285-T287 PolarHBondContact OD2-OG1 3.42Å; T287-I314 HydrophobicContact CG2-CG1 4.11Å; T287-N317 VanDerWaalsContact O-CB 3.27Å; T287-N317 WeakPolarHBondContact O-CB 3.47Å; T287-N317 PolarHBondContact O-N 2.97Å
288	Q	80.6	Confident	82.1	Confident	70 Å²	70	45.5 Å²	45.5	33%	0.327	26%	0.262	S	S	.	.	S	Bend	trans	-119.1	145	-174.1	-61.8	-62.4	-35.4	0	0	113.4	K218 D285 L286 N317	K218-Q288 PolarHBondContact NZ-O 3.31Å; D285-Q288 PolarHBondContact O-N 3.34Å; D285-Q288 WeakPolarHBondContact OD2-CG 3.37Å; L286-Q288 VanDerWaalsContact C-N 3.29Å; Q288-N317 PolarHBondContact OE1-ND2 3.17Å
289	G	73.7	Confident	81.7	Confident	18 Å²	18	44.6 Å²	44.6	19%	0.186	25%	0.254	C	S	.	.			trans	96.3	-0.7	167.4	0	0	0	0	0	116	L291 G292	G289-L291 PolarHBondContact O-N 3.03Å; G289-G292 PolarHBondContact O-N 3.21Å
290	L	80.1	Confident	81.4	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-54.6	-39.9	173.7	-76.8	172.2	0	0	0	112.8	F222 G292 L293 I303 L304 P316 L318	F222-L290 HydrophobicContact CD1-CD2 3.42Å; F222-L290 VanDerWaalsContact CD1-CD2 3.42Å; F222-L290 HydrophobicContact CD1-CG 4.37Å; F222-L290 HydrophobicContact CE1-CD2 3.36Å; F222-L290 HydrophobicContact CE1-CG 3.83Å; F222-L290 HydrophobicContact CE2-CD2 4.5Å; F222-L290 HydrophobicContact CG-CD2 4.08Å; F222-L290 HydrophobicContact CZ-CD2 3.94Å; F222-L290 HydrophobicContact CZ-CG 4.03Å; L290-G292 PolarHBondContact O-N 3.45Å; L290-L293 HydrophobicContact CD2-CD1 3.77Å; L290-L293 WeakPolarHBondContact O-CB 3.43Å; L290-L293 PolarHBondContact O-N 2.97Å; L290-L293 VanDerWaalsContact O-N 3.15Å; L290-I303 HydrophobicContact CD2-CD1 4.38Å; L290-I303 HydrophobicContact CD2-CG2 3.73Å; L290-L304 HydrophobicContact CD1-CD2 4.46Å; L290-P316 HydrophobicContact CD1-CB 3.32Å; L290-P316 HydrophobicContact CD1-CG 4.25Å; L290-L318 HydrophobicContact CB-CD2 4.16Å; L290-L318 HydrophobicContact CD1-CD2 3.66Å
291	L	74.1	Confident	81.2	Confident	19 Å²	19	46.4 Å²	46.4	10%	0.099	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-67.2	-20.5	178.6	-65.3	-179	0	0	0	114.1	G289 L293 Y320 M542	G289-L291 PolarHBondContact O-N 3.03Å; L291-L293 VanDerWaalsContact C-N 3.34Å; L291-Y320 HydrophobicContact CB-CE1 4.39Å; L291-Y320 HydrophobicContact CD1-CD1 4.07Å; L291-Y320 HydrophobicContact CD1-CE1 4.39Å; L291-Y320 HydrophobicContact CD1-CG 4.22Å; L291-Y320 HydrophobicContact CD2-CD1 4.33Å; L291-Y320 HydrophobicContact CD2-CD2 4.33Å; L291-Y320 HydrophobicContact CD2-CE1 3.91Å; L291-Y320 HydrophobicContact CD2-CE2 3.91Å; L291-Y320 HydrophobicContact CG-CE1 4.48Å; L291-M542 HydrophobicContact CD2-CE 3.36Å; L291-M542 HydrophobicContact CD2-SD 4.33Å
292	G	72.2	Confident	81.1	Confident	40 Å²	40	38.9 Å²	38.9	41%	0.412	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-88.4	-1.7	175.6	0	0	0	0	0	113.6	G289 L290	G289-G292 PolarHBondContact O-N 3.21Å; L290-G292 PolarHBondContact O-N 3.45Å
293	L	76.3	Confident	81.2	Confident	7 Å²	7	36.3 Å²	36.3	4%	0.037	22%	0.215	C	C	.	.	S	Bend	trans	-77.9	145.8	174.8	-64.1	171.3	0	0	0	110.1	N219 F222 L290 L291 L295 I303	N219-L293 HydrophobicContact CB-CD2 3.66Å; N219-L293 VanDerWaalsContact OD1-CD2 3.27Å; N219-L293 WeakPolarHBondContact OD1-CD2 3.42Å; F222-L293 HydrophobicContact CB-CD1 3.51Å; F222-L293 HydrophobicContact CB-CD2 4.23Å; F222-L293 HydrophobicContact CD1-CD1 4.33Å; F222-L293 HydrophobicContact CD2-CD1 3.81Å; F222-L293 HydrophobicContact CD2-CD2 4.21Å; F222-L293 HydrophobicContact CD2-CG 4.42Å; F222-L293 HydrophobicContact CG-CD1 3.65Å; L290-L293 HydrophobicContact CD2-CD1 3.77Å; L290-L293 WeakPolarHBondContact O-CB 3.43Å; L290-L293 PolarHBondContact O-N 2.97Å; L290-L293 VanDerWaalsContact O-N 3.15Å; L291-L293 VanDerWaalsContact C-N 3.34Å; L293-L295 VanDerWaalsContact C-N 3.32Å; L293-L295 HydrophobicContact CB-CD2 3.89Å; L293-L295 HydrophobicContact CB-CG 3.96Å; L293-L295 HydrophobicContact CD1-CD2 4.28Å; L293-L295 PolarHBondContact O-N 3.41Å; L293-I303 HydrophobicContact CD1-CD1 4.11Å
294	S	69.9	Low	81.3	Confident	5 Å²	5	34.6 Å²	34.6	4%	0.035	19%	0.19	C	C	.	.			trans	-72.8	92.8	165.7	-169.4	0	0	0	0	108.3	Q549	S294-Q549 PolarHBondContact OG-O 2.77Å
295	L	72.2	Confident	81.3	Confident	11 Å²	11	33 Å²	33	6%	0.058	18%	0.183	C	C	.	.			trans	-93.3	126	-178.4	-62.6	170.6	0	0	0	109.8	L293 L300 I303	L293-L295 VanDerWaalsContact C-N 3.32Å; L293-L295 HydrophobicContact CB-CD2 3.89Å; L293-L295 HydrophobicContact CB-CG 3.96Å; L293-L295 HydrophobicContact CD1-CD2 4.28Å; L293-L295 PolarHBondContact O-N 3.41Å; L295-L300 HydrophobicContact CD1-CB 4.28Å; L295-L300 HydrophobicContact CD1-CD1 4.42Å; L295-I303 HydrophobicContact CD2-CD1 3.77Å
296	E	73.8	Confident	81.6	Confident	50 Å²	50	29.2 Å²	29.2	23%	0.234	16%	0.163	C	C	.	.			trans	-90	174.7	167	-65.1	-171.3	164.3	0	0	110.5	K195 G298 S299	K195-E296 WeakPolarHBondContact CD-OE1 3.24Å; K195-E296 VanDerWaalsContact CE-CD 3.4Å; K195-E296 WeakPolarHBondContact CE-OE1 3.5Å; K195-E296 IonicContact NZ-OE1 2.77Å; K195-E296 PolarHBondContact NZ-OE1 3.45Å; E296-G298 PolarHBondContact O-N 3.31Å; E296-G298 VanDerWaalsContact O-N 3.15Å; E296-S299 PolarHBondContact N-OG 2.81Å; E296-S299 VanDerWaalsContact N-OG 3.07Å; E296-S299 WeakPolarHBondContact O-CB 2.85Å; E296-S299 PolarHBondContact O-N 3.26Å; E296-S299 PolarHBondContact O-OG 3.47Å
297	E	75.8	Confident	81.8	Confident	135 Å²	135	29 Å²	29	63%	0.631	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	120.4	175.3	-173.2	173.6	176.6	0	0	110.1	S299 Q544	E297-S299 VanDerWaalsContact C-N 3.33Å; E297-S299 PolarHBondContact O-N 3.23Å; E297-Q544 WeakPolarHBondContact CA-O 3.48Å
298	G	80.8	Confident	82.2	Confident	21 Å²	21	29.2 Å²	29.2	22%	0.216	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-11.2	-176.6	0	0	0	0	0	115.8	E296 L300 K301 N302	E296-G298 PolarHBondContact O-N 3.31Å; E296-G298 VanDerWaalsContact O-N 3.15Å; G298-L300 PolarHBondContact O-N 3.11Å; G298-K301 WeakPolarHBondContact O-CB 3.4Å; G298-K301 PolarHBondContact O-N 2.8Å; G298-N302 VanDerWaalsContact O-CG 3.24Å; G298-N302 PolarHBondContact O-N 3.39Å; G298-N302 PolarHBondContact O-ND2 2.8Å; G298-N302 VanDerWaalsContact O-ND2 3.14Å
299	S	86.2	Confident	82.7	Confident	3 Å²	3	31.1 Å²	31.1	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-58.3	-49.1	177.4	-66.3	0	0	0	0	111.6	E226 E296 E297 K301 N302 I303	E226-S299 WeakPolarHBondContact OE1-CA 3.48Å; E226-S299 WeakPolarHBondContact OE1-CB 3.47Å; E226-S299 PolarHBondContact OE1-OG 2.86Å; E296-S299 PolarHBondContact N-OG 2.81Å; E296-S299 VanDerWaalsContact N-OG 3.07Å; E296-S299 WeakPolarHBondContact O-CB 2.85Å; E296-S299 PolarHBondContact O-N 3.26Å; E296-S299 PolarHBondContact O-OG 3.47Å; E297-S299 VanDerWaalsContact C-N 3.33Å; E297-S299 PolarHBondContact O-N 3.23Å; S299-K301 VanDerWaalsContact C-N 3.32Å; S299-K301 PolarHBondContact O-N 3.27Å; S299-N302 PolarHBondContact O-N 3.29Å; S299-N302 VanDerWaalsContact O-N 3.17Å; S299-I303 WeakPolarHBondContact O-CG1 3.26Å; S299-I303 PolarHBondContact O-N 2.77Å
300	L	86.1	Confident	83.5	Confident	12 Å²	12	32 Å²	32	6%	0.063	17%	0.168	C	C	.	.	H	α-helix	trans	-58.4	-45.9	177.2	179.2	63.9	0	0	0	111.4	L295 G298 N302 I303 L304 L318 M542	L295-L300 HydrophobicContact CD1-CB 4.28Å; L295-L300 HydrophobicContact CD1-CD1 4.42Å; G298-L300 PolarHBondContact O-N 3.11Å; L300-N302 VanDerWaalsContact C-N 3.32Å; L300-N302 PolarHBondContact O-N 3.49Å; L300-I303 PolarHBondContact O-N 2.76Å; L300-L304 HydrophobicContact CD1-CD1 3.92Å; L300-L304 HydrophobicContact CD1-CG 4.01Å; L300-L304 HydrophobicContact CD2-CD1 4.44Å; L300-L304 HydrophobicContact CG-CD1 3.82Å; L300-L304 HydrophobicContact CG-CG 4.28Å; L300-L304 WeakPolarHBondContact O-CB 3.28Å; L300-L304 VanDerWaalsContact O-CG 3.24Å; L300-L304 WeakPolarHBondContact O-CG 3.48Å; L300-L304 PolarHBondContact O-N 3.02Å; L300-L318 HydrophobicContact CD1-CD2 3.86Å; L300-M542 HydrophobicContact CD1-CE 4.44Å; L300-M542 HydrophobicContact CD2-CE 3.51Å; L300-M542 HydrophobicContact CD2-CG 3.71Å; L300-M542 HydrophobicContact CD2-SD 4.35Å
301	K	87.3	Confident	83.9	Confident	120 Å²	120	37.5 Å²	37.5	52%	0.522	19%	0.189	S	C	.	.	H	α-helix	trans	-56.4	-48	176.6	179.6	-175.9	173.9	-177.2	0	110.6	G298 S299 L304 T305	G298-K301 WeakPolarHBondContact O-CB 3.4Å; G298-K301 PolarHBondContact O-N 2.8Å; S299-K301 VanDerWaalsContact C-N 3.32Å; S299-K301 PolarHBondContact O-N 3.27Å; K301-L304 PolarHBondContact O-N 2.65Å; K301-T305 WeakPolarHBondContact O-CB 3.38Å; K301-T305 PolarHBondContact O-N 3.38Å; K301-T305 PolarHBondContact O-OG1 2.74Å
302	N	90.9	Very high	84.5	Confident	19 Å²	19	41 Å²	41	10%	0.102	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-48.1	179.4	-65.2	-32.9	0	0	0	111.6	E226 G229 K230 N233 G298 S299 L300 L304 T305 A306	E226-N302 HydrophobicContact CG-CB 4.05Å; G229-N302 WeakPolarHBondContact CA-O 3.21Å; K230-N302 HydrophobicContact CB-CB 4.42Å; N233-N302 PolarHBondContact ND2-OD1 3.41Å; G298-N302 VanDerWaalsContact O-CG 3.24Å; G298-N302 PolarHBondContact O-N 3.39Å; G298-N302 PolarHBondContact O-ND2 2.8Å; G298-N302 VanDerWaalsContact O-ND2 3.14Å; S299-N302 PolarHBondContact O-N 3.29Å; S299-N302 VanDerWaalsContact O-N 3.17Å; L300-N302 VanDerWaalsContact C-N 3.32Å; L300-N302 PolarHBondContact O-N 3.49Å; N302-L304 VanDerWaalsContact C-N 3.32Å; N302-L304 PolarHBondContact O-N 2.9Å; N302-T305 WeakPolarHBondContact O-CB 3.48Å; N302-T305 PolarHBondContact O-N 2.94Å; N302-A306 PolarHBondContact O-N 2.93Å
303	I	91.1	Very high	85	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.3	-47.2	178.5	-65.4	166.1	0	0	0	110.7	F222 F225 E226 L290 L293 L295 S299 L300 A306 L307	F222-I303 HydrophobicContact CD1-CG2 4.02Å; F225-I303 HydrophobicContact CB-CG2 4.16Å; E226-I303 HydrophobicContact CB-CD1 4.29Å; E226-I303 HydrophobicContact CB-CG1 3.64Å; E226-I303 HydrophobicContact CG-CG1 4.3Å; L290-I303 HydrophobicContact CD2-CD1 4.38Å; L290-I303 HydrophobicContact CD2-CG2 3.73Å; L293-I303 HydrophobicContact CD1-CD1 4.11Å; L295-I303 HydrophobicContact CD2-CD1 3.77Å; S299-I303 WeakPolarHBondContact O-CG1 3.26Å; S299-I303 PolarHBondContact O-N 2.77Å; L300-I303 PolarHBondContact O-N 2.76Å; I303-A306 PolarHBondContact O-N 2.74Å; I303-L307 HydrophobicContact CG2-CD1 3.75Å; I303-L307 HydrophobicContact CG2-CG 4.36Å; I303-L307 WeakPolarHBondContact O-CB 3.3Å; I303-L307 WeakPolarHBondContact O-CG 3.42Å; I303-L307 PolarHBondContact O-N 2.84Å
304	L	89.9	Confident	85.4	Confident	28 Å²	28	47.8 Å²	47.8	15%	0.147	24%	0.239	C	C	.	.	H	α-helix	trans	-65.6	-38.6	178.3	-67.1	176.5	0	0	0	112.1	L290 L300 K301 N302 A306 L307 L308 P316 L318	L290-L304 HydrophobicContact CD1-CD2 4.46Å; L300-L304 HydrophobicContact CD1-CD1 3.92Å; L300-L304 HydrophobicContact CD1-CG 4.01Å; L300-L304 HydrophobicContact CD2-CD1 4.44Å; L300-L304 HydrophobicContact CG-CD1 3.82Å; L300-L304 HydrophobicContact CG-CG 4.28Å; L300-L304 WeakPolarHBondContact O-CB 3.28Å; L300-L304 VanDerWaalsContact O-CG 3.24Å; L300-L304 WeakPolarHBondContact O-CG 3.48Å; L300-L304 PolarHBondContact O-N 3.02Å; K301-L304 PolarHBondContact O-N 2.65Å; N302-L304 VanDerWaalsContact C-N 3.32Å; N302-L304 PolarHBondContact O-N 2.9Å; L304-A306 VanDerWaalsContact C-N 3.32Å; L304-A306 PolarHBondContact O-N 2.64Å; L304-L307 PolarHBondContact O-N 2.85Å; L304-L308 HydrophobicContact CB-CD1 4.11Å; L304-L308 WeakPolarHBondContact O-CB 3.28Å; L304-L308 VanDerWaalsContact O-CG 3.27Å; L304-L308 WeakPolarHBondContact O-CG 3.45Å; L304-L308 PolarHBondContact O-N 3.39Å; L304-P316 HydrophobicContact CD2-CB 4.24Å; L304-P316 HydrophobicContact CD2-CG 3.72Å; L304-L318 HydrophobicContact CD1-CD1 3.81Å; L304-L318 HydrophobicContact CD2-CD1 4.35Å
305	T	90.7	Very high	85.9	Confident	8 Å²	8	53 Å²	53	5%	0.049	27%	0.267	C	S	.	.	H	α-helix	trans	-56	-47.1	174.3	-66.1	0	0	0	0	110.8	M232 N233 K301 N302 Y309	M232-T305 HydrophobicContact CB-CG2 3.93Å; M232-T305 HydrophobicContact CE-CG2 4.07Å; M232-T305 HydrophobicContact SD-CG2 4.14Å; N233-T305 PolarHBondContact ND2-OG1 2.92Å; N233-T305 VanDerWaalsContact ND2-OG1 3.17Å; K301-T305 WeakPolarHBondContact O-CB 3.38Å; K301-T305 PolarHBondContact O-N 3.38Å; K301-T305 PolarHBondContact O-OG1 2.74Å; N302-T305 WeakPolarHBondContact O-CB 3.48Å; N302-T305 PolarHBondContact O-N 2.94Å; T305-Y309 VanDerWaalsContact O-CB 3.25Å; T305-Y309 WeakPolarHBondContact O-CB 3.48Å; T305-Y309 PolarHBondContact O-N 2.88Å
306	A	92.3	Very high	86.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.5	-53.8	178.1	0	0	0	0	0	111.6	F225 L228 M232 V272 N302 I303 L304 L308 Y309	F225-A306 HydrophobicContact CB-CB 4.09Å; F225-A306 VanDerWaalsContact O-CB 3.27Å; F225-A306 WeakPolarHBondContact O-CB 3.17Å; L228-A306 HydrophobicContact CB-CB 4.5Å; M232-A306 HydrophobicContact SD-CB 4.26Å; V272-A306 HydrophobicContact CG1-CB 4.37Å; V272-A306 WeakPolarHBondContact CG1-O 3.47Å; V272-A306 HydrophobicContact CG2-CB 3.92Å; N302-A306 PolarHBondContact O-N 2.93Å; I303-A306 PolarHBondContact O-N 2.74Å; L304-A306 VanDerWaalsContact C-N 3.32Å; L304-A306 PolarHBondContact O-N 2.64Å; A306-L308 PolarHBondContact O-N 3.43Å; A306-Y309 PolarHBondContact O-N 2.77Å
307	L	91.4	Very high	86.4	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-47.2	-176.3	-73.9	175.4	0	0	0	112.9	F222 F225 I276 L286 I303 L304 Y309 V310 R311 I314	F222-L307 HydrophobicContact CE1-CD1 4.27Å; F225-L307 HydrophobicContact CD1-CD2 4.19Å; F225-L307 HydrophobicContact CD2-CD1 4.33Å; F225-L307 HydrophobicContact CD2-CD2 3.65Å; F225-L307 HydrophobicContact CD2-CG 4.03Å; F225-L307 HydrophobicContact CE1-CD2 4.14Å; F225-L307 HydrophobicContact CE2-CD2 3.64Å; F225-L307 HydrophobicContact CE2-CG 4.49Å; F225-L307 HydrophobicContact CG-CD2 3.97Å; F225-L307 HydrophobicContact CG-CG 4.2Å; F225-L307 HydrophobicContact CZ-CD2 3.89Å; I276-L307 HydrophobicContact CD1-CD2 4.23Å; I276-L307 HydrophobicContact CG1-CD2 4.23Å; L286-L307 HydrophobicContact CD1-CD2 4.38Å; I303-L307 HydrophobicContact CG2-CD1 3.75Å; I303-L307 HydrophobicContact CG2-CG 4.36Å; I303-L307 WeakPolarHBondContact O-CB 3.3Å; I303-L307 WeakPolarHBondContact O-CG 3.42Å; I303-L307 PolarHBondContact O-N 2.84Å; L304-L307 PolarHBondContact O-N 2.85Å; L307-Y309 VanDerWaalsContact C-N 3.27Å; L307-Y309 PolarHBondContact O-N 2.77Å; L307-V310 PolarHBondContact O-N 3.4Å; L307-R311 PolarHBondContact O-N 3.42Å; L307-I314 HydrophobicContact CB-CG2 4.37Å
308	L	91.6	Very high	86.5	Confident	48 Å²	48	47.6 Å²	47.6	25%	0.251	24%	0.244	S	C	.	.	H	α-helix	trans	-73	-20.2	-176.9	-66.1	168.5	0	0	0	112.8	F239 L304 A306 P312 I314	F239-L308 HydrophobicContact CE1-CD1 4.49Å; F239-L308 HydrophobicContact CZ-CD1 4.39Å; L304-L308 HydrophobicContact CB-CD1 4.11Å; L304-L308 WeakPolarHBondContact O-CB 3.28Å; L304-L308 VanDerWaalsContact O-CG 3.27Å; L304-L308 WeakPolarHBondContact O-CG 3.45Å; L304-L308 PolarHBondContact O-N 3.39Å; A306-L308 PolarHBondContact O-N 3.43Å; L308-P312 WeakPolarHBondContact O-CA 3.49Å; L308-P312 WeakPolarHBondContact O-CG 3.49Å; L308-I314 HydrophobicContact CD2-CG2 3.81Å
309	Y	90.2	Very high	86.3	Confident	109 Å²	109	49.1 Å²	49.1	43%	0.427	25%	0.247	S	C	.	.	H	α-helix	trans	-68.5	-43.2	175.8	178.8	-97.6	0	0	0	112.2	M232 M265 T305 A306 L307	M232-Y309 VanDerWaalsContact CE-CB 3.43Å; M232-Y309 HydrophobicContact CE-CD1 3.73Å; M232-Y309 HydrophobicContact CE-CD2 3.68Å; M232-Y309 HydrophobicContact CE-CE1 4.41Å; M232-Y309 HydrophobicContact CE-CE2 4.37Å; M232-Y309 HydrophobicContact CE-CG 3.32Å; M265-Y309 HydrophobicContact CE-CD2 3.97Å; M265-Y309 HydrophobicContact CE-CE2 3.69Å; M265-Y309 HydrophobicContact CG-CE2 4.22Å; T305-Y309 VanDerWaalsContact O-CB 3.25Å; T305-Y309 WeakPolarHBondContact O-CB 3.48Å; T305-Y309 PolarHBondContact O-N 2.88Å; A306-Y309 PolarHBondContact O-N 2.77Å; L307-Y309 VanDerWaalsContact C-N 3.27Å; L307-Y309 PolarHBondContact O-N 2.77Å
310	V	90.4	Very high	85.8	Confident	36 Å²	36	50.5 Å²	50.5	22%	0.218	25%	0.252	C	S	.	.	H	α-helix	trans	-87.6	-35.9	177.8	-179.6	0	0	0	0	111.8	G269 V272 E273 I276 L307 P312	G269-V310 WeakPolarHBondContact O-CG2 3.47Å; V272-V310 HydrophobicContact CB-CG2 3.68Å; V272-V310 HydrophobicContact CG1-CB 4.14Å; V272-V310 HydrophobicContact CG1-CG2 3.52Å; E273-V310 HydrophobicContact CB-CG1 4Å; E273-V310 HydrophobicContact CG-CG1 4.22Å; I276-V310 HydrophobicContact CD1-CB 4.08Å; I276-V310 HydrophobicContact CD1-CG1 4.11Å; L307-V310 PolarHBondContact O-N 3.4Å; V310-P312 WeakPolarHBondContact O-CD 3.49Å
311	R	88.5	Confident	85	Confident	117 Å²	117	51.9 Å²	51.9	44%	0.442	26%	0.258	S	S	.	.			trans	-124.7	77.7	-179.4	-64	-69.6	-168.5	167.7	1.7	111	I276 L307 N313 I314	I276-R311 HydrophobicContact CD1-CG 4.03Å; L307-R311 PolarHBondContact O-N 3.42Å; R311-N313 PolarHBondContact O-N 2.8Å; R311-N313 VanDerWaalsContact O-N 3.08Å; R311-I314 HydrophobicContact CB-CB 4Å; R311-I314 HydrophobicContact CB-CG2 4.23Å; R311-I314 WeakPolarHBondContact O-CB 3.23Å; R311-I314 WeakPolarHBondContact O-CG2 3.06Å; R311-I314 PolarHBondContact O-N 2.65Å
312	P	86.3	Confident	83.4	Confident	92 Å²	92	48.7 Å²	48.7	60%	0.597	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-27	-179.9	-25	33.2	0	0	0	114.5	L308 V310	L308-P312 WeakPolarHBondContact O-CA 3.49Å; L308-P312 WeakPolarHBondContact O-CG 3.49Å; V310-P312 WeakPolarHBondContact O-CD 3.49Å
313	N	83.7	Confident	81.4	Confident	162 Å²	162	50 Å²	50	87%	0.866	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.7	-179.8	-63.3	-25.5	0	0	0	113.6	R311 N315	R311-N313 PolarHBondContact O-N 2.8Å; R311-N313 VanDerWaalsContact O-N 3.08Å; N313-N315 PolarHBondContact O-N 2.69Å
314	I	83.5	Confident	79.2	Confident	28 Å²	28	50.9 Å²	50.9	14%	0.144	25%	0.254	C	S	.	.			trans	-65.6	133	175.1	-158.4	171.5	0	0	0	108.2	L286 T287 L307 L308 R311 P316	L286-I314 HydrophobicContact CB-CD1 4.14Å; T287-I314 HydrophobicContact CG2-CG1 4.11Å; L307-I314 HydrophobicContact CB-CG2 4.37Å; L308-I314 HydrophobicContact CD2-CG2 3.81Å; R311-I314 HydrophobicContact CB-CB 4Å; R311-I314 HydrophobicContact CB-CG2 4.23Å; R311-I314 WeakPolarHBondContact O-CB 3.23Å; R311-I314 WeakPolarHBondContact O-CG2 3.06Å; R311-I314 PolarHBondContact O-N 2.65Å; I314-P316 HydrophobicContact CG2-CG 4.17Å; I314-P316 WeakPolarHBondContact O-CD 3.44Å
315	N	81.5	Confident	76.3	Confident	115 Å²	115	53.8 Å²	53.8	62%	0.615	28%	0.277	S	S	*	.			trans	-116.1	85.3	176.6	-173.3	17.4	0	0	0	109.2	N313	N313-N315 PolarHBondContact O-N 2.69Å
316	P	82.1	Confident	73.3	Confident	12 Å²	12	58.3 Å²	58.3	8%	0.078	31%	0.309	C	S	.	.			trans	-66	139.8	-178.5	-16.7	31.4	0	0	0	110.9	L290 L304 I314 L318	L290-P316 HydrophobicContact CD1-CB 3.32Å; L290-P316 HydrophobicContact CD1-CG 4.25Å; L304-P316 HydrophobicContact CD2-CB 4.24Å; L304-P316 HydrophobicContact CD2-CG 3.72Å; I314-P316 HydrophobicContact CG2-CG 4.17Å; I314-P316 WeakPolarHBondContact O-CD 3.44Å; P316-L318 HydrophobicContact CB-CD2 4.27Å; P316-L318 HydrophobicContact CB-CG 4.46Å; P316-L318 WeakPolarHBondContact O-CG 3.46Å; P316-L318 PolarHBondContact O-N 2.85Å
317	N	75.4	Confident	70.3	Confident	27 Å²	27	63.2 Å²	63.2	14%	0.144	34%	0.343	C	S	.	.			trans	-73.9	99.8	179.4	-174.6	3	0	0	0	110.5	T287 Q288 N319	T287-N317 VanDerWaalsContact O-CB 3.27Å; T287-N317 WeakPolarHBondContact O-CB 3.47Å; T287-N317 PolarHBondContact O-N 2.97Å; Q288-N317 PolarHBondContact OE1-ND2 3.17Å; N317-N319 PolarHBondContact OD1-N 3.29Å
318	L	77.4	Confident	67.3	Low	43 Å²	43	71.2 Å²	71.2	23%	0.225	39%	0.386	C	S	.	.			trans	-107.8	17.5	-178	-62.9	-168.8	0	0	0	113	L290 L300 L304 P316 Q539 M542	L290-L318 HydrophobicContact CB-CD2 4.16Å; L290-L318 HydrophobicContact CD1-CD2 3.66Å; L300-L318 HydrophobicContact CD1-CD2 3.86Å; L304-L318 HydrophobicContact CD1-CD1 3.81Å; L304-L318 HydrophobicContact CD2-CD1 4.35Å; P316-L318 HydrophobicContact CB-CD2 4.27Å; P316-L318 HydrophobicContact CB-CG 4.46Å; P316-L318 WeakPolarHBondContact O-CG 3.46Å; P316-L318 PolarHBondContact O-N 2.85Å; L318-Q539 PolarHBondContact O-NE2 3.25Å; L318-Q539 VanDerWaalsContact O-NE2 3.07Å; L318-Q539 PolarHBondContact O-OE1 3.21Å; L318-M542 HydrophobicContact CB-CE 3.38Å; L318-M542 HydrophobicContact CB-SD 3.82Å; L318-M542 HydrophobicContact CD1-CE 4.03Å; L318-M542 HydrophobicContact CD2-CE 3.51Å; L318-M542 HydrophobicContact CG-CE 3.77Å
319	N	76.1	Confident	64.3	Low	53 Å²	53	76 Å²	76	28%	0.283	41%	0.41	S	S	.	.			trans	-105.5	113.4	-175.6	-179	3.9	0	0	0	111.4	N317 F321 M322	N317-N319 PolarHBondContact OD1-N 3.29Å; N319-F321 PolarHBondContact O-N 3.5Å; N319-F321 VanDerWaalsContact O-N 3.13Å; N319-F321 WeakPolarHBondContact OD1-CA 3.2Å; N319-F321 VanDerWaalsContact OD1-CB 3.26Å; N319-F321 WeakPolarHBondContact OD1-CB 3.32Å; N319-F321 VanDerWaalsContact OD1-CD2 3.27Å; N319-F321 WeakPolarHBondContact OD1-CD2 3.32Å; N319-F321 PolarHBondContact OD1-N 3.45Å; N319-M322 HydrophobicContact CB-CB 3.76Å; N319-M322 HydrophobicContact CB-CG 3.72Å; N319-M322 WeakPolarHBondContact ND2-CG 3.37Å; N319-M322 PolarHBondContact O-N 3.45Å
320	Y	75.4	Confident	61.4	Low	31 Å²	31	74.9 Å²	74.9	12%	0.122	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.4	175.5	-77.3	-74.3	0	0	0	113.2	L291 L535 L538 Q539 M542 P546	L291-Y320 HydrophobicContact CB-CE1 4.39Å; L291-Y320 HydrophobicContact CD1-CD1 4.07Å; L291-Y320 HydrophobicContact CD1-CE1 4.39Å; L291-Y320 HydrophobicContact CD1-CG 4.22Å; L291-Y320 HydrophobicContact CD2-CD1 4.33Å; L291-Y320 HydrophobicContact CD2-CD2 4.33Å; L291-Y320 HydrophobicContact CD2-CE1 3.91Å; L291-Y320 HydrophobicContact CD2-CE2 3.91Å; L291-Y320 HydrophobicContact CG-CE1 4.48Å; Y320-L535 HydrophobicContact CD1-CD2 4.49Å; Y320-L538 HydrophobicContact CD1-CB 4.46Å; Y320-L538 HydrophobicContact CD1-CD1 4.26Å; Y320-L538 HydrophobicContact CD2-CB 3.91Å; Y320-L538 HydrophobicContact CE1-CB 4.33Å; Y320-L538 HydrophobicContact CE1-CD1 4.12Å; Y320-L538 HydrophobicContact CE2-CB 3.77Å; Y320-L538 HydrophobicContact CG-CB 4.26Å; Y320-Q539 HydrophobicContact CD2-CB 4.17Å; Y320-M542 HydrophobicContact CE2-SD 4.42Å; Y320-P546 WeakPolarHBondContact OH-CG 3.3Å
321	F	69.7	Low	58.6	Low	42 Å²	42	78.6 Å²	78.6	18%	0.184	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-16.3	174.9	-58.6	-88.8	0	0	0	113.8	N319 F527 H532 L535 Q539	N319-F321 PolarHBondContact O-N 3.5Å; N319-F321 VanDerWaalsContact O-N 3.13Å; N319-F321 WeakPolarHBondContact OD1-CA 3.2Å; N319-F321 VanDerWaalsContact OD1-CB 3.26Å; N319-F321 WeakPolarHBondContact OD1-CB 3.32Å; N319-F321 VanDerWaalsContact OD1-CD2 3.27Å; N319-F321 WeakPolarHBondContact OD1-CD2 3.32Å; N319-F321 PolarHBondContact OD1-N 3.45Å; F321-F527 HydrophobicContact CE1-CE1 4.42Å; F321-F527 HydrophobicContact CZ-CE1 4.21Å; F321-H532 AromaticContact CD1-CD2 3.87Å; F321-H532 HydrophobicContact CE1-CB 4.24Å; F321-H532 AromaticContact CE1-CD2 3.86Å; F321-L535 HydrophobicContact CE1-CB 4.23Å; F321-L535 HydrophobicContact CZ-CB 4.29Å; F321-Q539 HydrophobicContact CE2-CB 4.31Å
322	M	54	Low	56.2	Low	52 Å²	52	81.9 Å²	81.9	26%	0.256	46%	0.461	S	S	.	.			trans	-95.4	5.2	-169.3	-87.5	-100.4	104.5	0	0	115.6	N319 Y324 S325 T336	N319-M322 HydrophobicContact CB-CB 3.76Å; N319-M322 HydrophobicContact CB-CG 3.72Å; N319-M322 WeakPolarHBondContact ND2-CG 3.37Å; N319-M322 PolarHBondContact O-N 3.45Å; M322-Y324 CarbonylContact O-C 3.53Å; M322-Y324 PolarHBondContact O-N 3.06Å; M322-S325 WeakPolarHBondContact CE-O 3.38Å; M322-S325 VanDerWaalsContact SD-O 3.35Å; M322-T336 HydrophobicContact CE-CG2 3Å
323	H	49.6	Very low	53.8	Low	46 Å²	46	84.2 Å²	84.2	21%	0.213	47%	0.474	C	S	.	.	S	Bend	trans	-62.5	12	164.1	-75.8	-39.1	0	0	0	113.5	K697	H323-K697 HydrophobicContact CB-CD 4.04Å; H323-K697 HydrophobicContact CB-CG 4.39Å
324	Y	43.3	Very low	51.3	Low	20 Å²	20	85 Å²	85	8%	0.078	47%	0.47	C	S	.	.	S	Bend	trans	-128.5	92	172.3	-50.5	-76.8	0	0	0	109.5	M322 T336 E338 K697	M322-Y324 CarbonylContact O-C 3.53Å; M322-Y324 PolarHBondContact O-N 3.06Å; Y324-T336 WeakPolarHBondContact O-CG2 3.37Å; Y324-E338 HydrophobicContact CD2-CG 4.36Å; Y324-E338 HydrophobicContact CG-CG 4.29Å; Y324-K697 HydrophobicContact CE1-CB 3.77Å; Y324-K697 HydrophobicContact CE1-CG 4.24Å; Y324-K697 WeakPolarHBondContact CE1-O 3.26Å
325	S	30.2	Very low	49.2	Very low	89 Å²	89	94.1 Å²	94.1	62%	0.622	50%	0.502	S	S	*	.			trans	70.3	138.3	169.1	-166	0	0	0	0	121	M322	M322-S325 WeakPolarHBondContact CE-O 3.38Å; M322-S325 VanDerWaalsContact SD-O 3.35Å
326	S	26.8	Very low	47.4	Very low	103 Å²	103	91.1 Å²	91.1	72%	0.72	49%	0.488	S	S	*	.			trans	-78.1	125.3	174.5	48.9	0	0	0	0	113.9
327	S	29	Very low	46.1	Very low	103 Å²	103	99.6 Å²	99.6	72%	0.72	52%	0.524	S	S	*	.			trans	155.2	120.5	138.1	63.7	0	0	0	0	112.7
328	N	29.7	Very low	45.8	Very low	167 Å²	167	100.4 Å²	100.4	89%	0.893	53%	0.527	S	S	*	.			trans	55.3	120.6	156.2	-67.9	-12	0	0	0	122
329	I	28.2	Very low	45.8	Very low	150 Å²	150	101.9 Å²	101.9	77%	0.769	53%	0.534	S	S	*	.			trans	-80.5	114.3	178	-65.8	159.1	0	0	0	109.9
330	S	29.1	Very low	46.1	Very low	84 Å²	84	101 Å²	101	59%	0.587	53%	0.532	S	S	*	.			trans	-169.3	143	139.7	72	0	0	0	0	111.3
331	T	31.2	Very low	46.7	Very low	114 Å²	114	100.7 Å²	100.7	70%	0.699	53%	0.532	S	S	*	.	S	Bend	trans	68.3	122.4	173.7	64.9	0	0	0	0	117.3	T333	T331-T333 PolarHBondContact O-N 3.46Å
332	H	37.2	Very low	47.6	Very low	187 Å²	187	101.6 Å²	101.6	87%	0.866	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.5	126.1	171.1	-73.4	-83.6	0	0	0	110.6
333	T	37.2	Very low	49.2	Very low	141 Å²	141	99.1 Å²	99.1	87%	0.865	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.1	13.9	169.3	73.4	0	0	0	0	120.7	T331 R335	T331-T333 PolarHBondContact O-N 3.46Å; T333-R335 PolarHBondContact O-N 2.94Å
334	K	31.8	Very low	51.2	Low	179 Å²	179	97.6 Å²	97.6	78%	0.778	52%	0.522	S	S	*	.			trans	-72.4	101.4	156.5	-82.8	-173.2	178.9	176.6	0	110	T336	K334-T336 PolarHBondContact O-N 3.48Å; K334-T336 VanDerWaalsContact O-N 3.07Å
335	R	38	Very low	53.3	Low	218 Å²	218	102.6 Å²	102.6	82%	0.823	55%	0.545	S	S	*	.			trans	-48.2	109.3	175.5	-69.2	177.6	-180	-179.4	-0.5	110	T333 K337	T333-R335 PolarHBondContact O-N 2.94Å; R335-K337 PolarHBondContact O-N 3.15Å; R335-K337 VanDerWaalsContact O-N 3.11Å
336	T	44.2	Very low	56.1	Low	52 Å²	52	101 Å²	101	32%	0.319	53%	0.527	S	S	.	.			trans	-53.6	114.4	154.1	18.9	0	0	0	0	107.4	M322 Y324 K334 E338	M322-T336 HydrophobicContact CE-CG2 3Å; Y324-T336 WeakPolarHBondContact O-CG2 3.37Å; K334-T336 PolarHBondContact O-N 3.48Å; K334-T336 VanDerWaalsContact O-N 3.07Å; T336-E338 VanDerWaalsContact C-N 3.34Å; T336-E338 PolarHBondContact O-N 2.97Å
337	K	54.7	Low	59	Low	190 Å²	190	96.3 Å²	96.3	83%	0.826	49%	0.494	S	S	*	.			trans	-72.3	95.6	175.3	-80.5	-174.3	177.1	179.9	0	107.4	R335	R335-K337 PolarHBondContact O-N 3.15Å; R335-K337 VanDerWaalsContact O-N 3.11Å
338	E	69.3	Low	61.8	Low	45 Å²	45	95.8 Å²	95.8	21%	0.21	48%	0.483	C	S	.	.			trans	-54.1	157.2	163.6	-64.7	-168.7	136.9	0	0	109.7	Y324 T336 S340 R531 H532	Y324-E338 HydrophobicContact CD2-CG 4.36Å; Y324-E338 HydrophobicContact CG-CG 4.29Å; T336-E338 VanDerWaalsContact C-N 3.34Å; T336-E338 PolarHBondContact O-N 2.97Å; E338-S340 PolarHBondContact O-N 3.28Å; E338-R531 VanDerWaalsContact CD-NH2 3.29Å; E338-R531 IonicContact OE1-CZ 2.73Å; E338-R531 VanDerWaalsContact OE1-CZ 3.24Å; E338-R531 IonicContact OE1-NH1 2.77Å; E338-R531 PolarHBondContact OE1-NH1 2.98Å; E338-R531 IonicContact OE1-NH2 3.68Å; E338-R531 PolarHBondContact OE1-NH2 3.48Å; E338-R531 IonicContact OE2-NH2 3.07Å; E338-R531 PolarHBondContact OE2-NH2 3.23Å; E338-H532 IonicContact OE1-CE1 2.66Å; E338-H532 IonicContact OE1-NE2 3.13Å; E338-H532 PolarHBondContact OE1-NE2 3.09Å; E338-H532 VanDerWaalsContact OE1-NE2 3.1Å; E338-H532 IonicContact OE2-CE1 2.98Å; E338-H532 IonicContact OE2-NE2 2.81Å
339	I	77.4	Confident	64.4	Low	73 Å²	73	92.6 Å²	92.6	37%	0.374	47%	0.474	S	S	.	.			trans	-58.8	112.8	178	-64	-177.8	0	0	0	108.3	Q344 K697	I339-Q344 PolarHBondContact O-NE2 3.4Å; I339-K697 WeakPolarHBondContact CD1-O 3.37Å
340	S	81.6	Confident	67.2	Low	36 Å²	36	87.2 Å²	87.2	25%	0.252	45%	0.448	S	S	.	.			trans	-101.1	100.9	174.9	-167.3	0	0	0	0	111	E338 Q344 D348	E338-S340 PolarHBondContact O-N 3.28Å; S340-Q344 VanDerWaalsContact CA-NE2 3.33Å; S340-Q344 WeakPolarHBondContact OG-CG 2.94Å; S340-D348 VanDerWaalsContact CB-OD2 3.31Å; S340-D348 WeakPolarHBondContact CB-OD2 2.91Å; S340-D348 PolarHBondContact OG-OD2 3.5Å
341	H	89.3	Confident	70	Confident	24 Å²	24	92 Å²	92	11%	0.111	46%	0.458	C	S	.	.			trans	-68.5	149.3	179.1	-68.6	-70.2	0	0	0	111.4	A343 Q344 K345 Q698 P1079 L1080 G1081	H341-A343 VanDerWaalsContact C-N 3.26Å; H341-A343 PolarHBondContact O-N 3.25Å; H341-A343 VanDerWaalsContact O-N 3.11Å; H341-Q344 WeakPolarHBondContact O-CG 3.3Å; H341-Q344 PolarHBondContact O-N 3.34Å; H341-K345 PolarHBondContact O-N 3.37Å; H341-Q698 PolarHBondContact NE2-O 3.13Å; H341-P1079 VanDerWaalsContact CB-O 3.28Å; H341-P1079 WeakPolarHBondContact CB-O 3.42Å; H341-L1080 VanDerWaalsContact CD2-C 3.49Å; H341-L1080 PolarHBondContact CD2-O 3.38Å; H341-L1080 VanDerWaalsContact CD2-O 3.26Å; H341-G1081 VanDerWaalsContact CE1-CA 3.44Å; H341-G1081 WeakPolarHBondContact CE1-CA 3.37Å; H341-G1081 WeakPolarHBondContact NE2-CA 3.37Å
342	P	86.9	Confident	72.8	Confident	60 Å²	60	88.1 Å²	88.1	39%	0.39	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-49.9	-41.9	-176.6	-29.8	36.6	0	0	0	114.9	Q344 K345	P342-Q344 PolarHBondContact O-N 3.15Å; P342-K345 PolarHBondContact O-N 3.24Å
343	A	88.7	Confident	75.4	Confident	0 Å²	0	83.5 Å²	83.5	0%	0	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-67.8	-14.1	-179.9	0	0	0	0	0	114.8	H341 H346 P1079 L1157 L1197 Q1200	H341-A343 VanDerWaalsContact C-N 3.26Å; H341-A343 PolarHBondContact O-N 3.25Å; H341-A343 VanDerWaalsContact O-N 3.11Å; A343-H346 PolarHBondContact O-CE1 3.17Å; A343-H346 PolarHBondContact O-ND1 3.5Å; A343-P1079 HydrophobicContact CB-CB 3.61Å; A343-L1157 HydrophobicContact CB-CD1 4.44Å; A343-L1197 HydrophobicContact CB-CD1 4.41Å; A343-Q1200 HydrophobicContact CB-CG 3.92Å
344	Q	90.9	Very high	78	Confident	14 Å²	14	80.8 Å²	80.8	7%	0.065	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-110.8	-3.8	179.5	89.3	-168.4	26.5	0	0	112.9	I339 S340 H341 P342 H346 L347 D348 S701 L1080 L1157	I339-Q344 PolarHBondContact O-NE2 3.4Å; S340-Q344 VanDerWaalsContact CA-NE2 3.33Å; S340-Q344 WeakPolarHBondContact OG-CG 2.94Å; H341-Q344 WeakPolarHBondContact O-CG 3.3Å; H341-Q344 PolarHBondContact O-N 3.34Å; P342-Q344 PolarHBondContact O-N 3.15Å; Q344-H346 PolarHBondContact O-N 3.14Å; Q344-L347 HydrophobicContact CB-CD1 4.34Å; Q344-L347 WeakPolarHBondContact O-CA 3.43Å; Q344-L347 VanDerWaalsContact O-CB 3.22Å; Q344-L347 WeakPolarHBondContact O-CB 2.95Å; Q344-L347 PolarHBondContact O-N 3.43Å; Q344-D348 PolarHBondContact O-N 3.05Å; Q344-S701 PolarHBondContact NE2-OG 3.44Å; Q344-S701 PolarHBondContact OE1-OG 3.11Å; Q344-L1080 HydrophobicContact CB-CD1 4.04Å; Q344-L1080 VanDerWaalsContact OE1-CD1 3.3Å; Q344-L1157 HydrophobicContact CB-CD2 4.08Å
345	K	88	Confident	80.9	Confident	125 Å²	125	78.2 Å²	78.2	54%	0.543	37%	0.374	S	S	.	.	H	α-helix	trans	-59.8	-32.9	-175.7	-77	-177.5	-179.2	176.7	0	112.7	H341 P342 L347 D348	H341-K345 PolarHBondContact O-N 3.37Å; P342-K345 PolarHBondContact O-N 3.24Å; K345-L347 VanDerWaalsContact C-N 3.29Å; K345-L347 PolarHBondContact O-N 2.99Å; K345-D348 WeakPolarHBondContact O-CB 3.31Å; K345-D348 PolarHBondContact O-N 3.28Å
346	H	87.9	Confident	83.5	Confident	55 Å²	55	68 Å²	68	26%	0.255	34%	0.335	S	S	.	.	H	α-helix	trans	-66.1	-35.2	175.4	71.3	-69.9	0	0	0	111	A343 Q344 D348 S349 V350 E1193 A1196	A343-H346 PolarHBondContact O-CE1 3.17Å; A343-H346 PolarHBondContact O-ND1 3.5Å; Q344-H346 PolarHBondContact O-N 3.14Å; H346-D348 PolarHBondContact O-N 3.16Å; H346-S349 WeakPolarHBondContact O-CA 3.47Å; H346-S349 WeakPolarHBondContact O-CB 3.24Å; H346-S349 PolarHBondContact O-N 3.1Å; H346-S349 PolarHBondContact O-OG 2.91Å; H346-V350 PolarHBondContact O-N 3.49Å; H346-E1193 IonicContact CD2-OE1 3.28Å; H346-E1193 IonicContact CE1-OE1 2.78Å; H346-E1193 IonicContact CE1-OE2 3.69Å; H346-E1193 PolarHBondContact CE1-OE2 3.11Å; H346-E1193 IonicContact NE2-OE1 2.72Å; H346-E1193 PolarHBondContact NE2-OE1 3.33Å; H346-E1193 IonicContact NE2-OE2 3.65Å; H346-E1193 PolarHBondContact NE2-OE2 3.33Å; H346-A1196 WeakPolarHBondContact CE1-CB 3.49Å; H346-A1196 WeakPolarHBondContact ND1-CB 3.48Å
347	L	89.6	Confident	85.9	Confident	6 Å²	6	65.7 Å²	65.7	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-57.8	-33.3	173.8	-69.2	177.9	0	0	0	111.4	Q344 K345 S349 V350 L1157 L1160 Q1161 K1164 E1193	Q344-L347 HydrophobicContact CB-CD1 4.34Å; Q344-L347 WeakPolarHBondContact O-CA 3.43Å; Q344-L347 VanDerWaalsContact O-CB 3.22Å; Q344-L347 WeakPolarHBondContact O-CB 2.95Å; Q344-L347 PolarHBondContact O-N 3.43Å; K345-L347 VanDerWaalsContact C-N 3.29Å; K345-L347 PolarHBondContact O-N 2.99Å; L347-S349 PolarHBondContact O-N 3.42Å; L347-V350 HydrophobicContact CD2-CG2 4.33Å; L347-V350 WeakPolarHBondContact O-CB 3.41Å; L347-V350 PolarHBondContact O-N 3.33Å; L347-V350 VanDerWaalsContact O-N 3.07Å; L347-L1157 HydrophobicContact CD1-CD2 3.86Å; L347-L1160 HydrophobicContact CD1-CB 4.05Å; L347-L1160 HydrophobicContact CD1-CD1 4.46Å; L347-Q1161 HydrophobicContact CD2-CB 3.75Å; L347-Q1161 HydrophobicContact CD2-CG 3.95Å; L347-K1164 PolarHBondContact O-NZ 3.34Å; L347-E1193 WeakPolarHBondContact CD2-OE1 3.46Å
348	D	86.3	Confident	87.8	Confident	91 Å²	91	56.7 Å²	56.7	49%	0.487	28%	0.282	S	S	.	.	H	α-helix	trans	-63.5	-23.3	177.5	-64	-27.6	0	0	0	112.8	S340 Q344 K345 H346	S340-D348 VanDerWaalsContact CB-OD2 3.31Å; S340-D348 WeakPolarHBondContact CB-OD2 2.91Å; S340-D348 PolarHBondContact OG-OD2 3.5Å; Q344-D348 PolarHBondContact O-N 3.05Å; K345-D348 WeakPolarHBondContact O-CB 3.31Å; K345-D348 PolarHBondContact O-N 3.28Å; H346-D348 PolarHBondContact O-N 3.16Å
349	S	85.6	Confident	88.9	Confident	101 Å²	101	55.1 Å²	55.1	71%	0.706	28%	0.277	S	S	*	.	H	α-helix	trans	-86.1	-22	173.7	76.5	0	0	0	0	113.7	H346 L347 K351	H346-S349 WeakPolarHBondContact O-CA 3.47Å; H346-S349 WeakPolarHBondContact O-CB 3.24Å; H346-S349 PolarHBondContact O-N 3.1Å; H346-S349 PolarHBondContact O-OG 2.91Å; L347-S349 PolarHBondContact O-N 3.42Å; S349-K351 PolarHBondContact O-N 2.9Å
350	V	86.4	Confident	89.4	Confident	36 Å²	36	54.1 Å²	54.1	22%	0.218	28%	0.284	C	S	.	.	S	Bend	trans	-66.5	122.8	177.1	178.6	0	0	0	0	109.6	H346 L347 H352 K1164	H346-V350 PolarHBondContact O-N 3.49Å; L347-V350 HydrophobicContact CD2-CG2 4.33Å; L347-V350 WeakPolarHBondContact O-CB 3.41Å; L347-V350 PolarHBondContact O-N 3.33Å; L347-V350 VanDerWaalsContact O-N 3.07Å; V350-H352 PolarHBondContact O-N 3.11Å; V350-K1164 HydrophobicContact CB-CD 4.42Å; V350-K1164 HydrophobicContact CG1-CD 4.45Å
351	K	88.4	Confident	90	Very high	184 Å²	184	53.3 Å²	53.3	80%	0.8	28%	0.277	S	S	*	.			trans	-63.2	118.5	175.7	-176.4	-178.3	177.7	-175.9	0	109.1	S349 E353	S349-K351 PolarHBondContact O-N 2.9Å; K351-E353 PolarHBondContact O-N 2.94Å
352	H	90.2	Very high	90.2	Very high	33 Å²	33	52.9 Å²	52.9	15%	0.153	28%	0.275	C	S	.	.			trans	-71.3	115.3	172.6	-163.1	-56.8	0	0	0	109	V350 R354 S528	V350-H352 PolarHBondContact O-N 3.11Å; H352-R354 VanDerWaalsContact ND1-CA 3.34Å; H352-R354 WeakPolarHBondContact ND1-CA 2.97Å; H352-R354 PolarHBondContact ND1-N 3.3Å; H352-R354 PolarHBondContact O-N 2.9Å; H352-S528 PolarHBondContact NE2-O 3Å; H352-S528 VanDerWaalsContact NE2-O 3.14Å
353	E	92.1	Very high	90.3	Very high	91 Å²	91	55.8 Å²	55.8	43%	0.425	29%	0.292	S	S	.	.			trans	-64.6	-21.7	179.1	-70	-167.1	-178	0	0	112.3	K351 K355 K1164 K1185	K351-E353 PolarHBondContact O-N 2.94Å; E353-K355 HydrophobicContact CB-CB 4.4Å; E353-K355 PolarHBondContact O-N 3.4Å; E353-K1164 WeakPolarHBondContact CB-O 3.47Å; E353-K1164 PolarHBondContact N-O 2.79Å; E353-K1185 IonicContact OE1-NZ 3.39Å
354	R	91.1	Very high	90.2	Very high	83 Å²	83	59.9 Å²	59.9	31%	0.313	31%	0.314	S	S	.	.			trans	62.3	13.7	-180	-64.4	-77	-178.1	153.8	6.3	112.4	H352 E524 M525 K526 F527	H352-R354 VanDerWaalsContact ND1-CA 3.34Å; H352-R354 WeakPolarHBondContact ND1-CA 2.97Å; H352-R354 PolarHBondContact ND1-N 3.3Å; H352-R354 PolarHBondContact O-N 2.9Å; R354-E524 HydrophobicContact CB-CG 4.14Å; R354-E524 CarbonylContact O-C 3.56Å; R354-E524 VanDerWaalsContact O-CA 3.3Å; R354-E524 WeakPolarHBondContact O-CA 2.94Å; R354-M525 WeakPolarHBondContact CD-O 3.36Å; R354-M525 PolarHBondContact NH1-O 3.4Å; R354-M525 PolarHBondContact O-N 3.33Å; R354-K526 VanDerWaalsContact NH1-C 3.27Å; R354-K526 PolarHBondContact NH1-O 3.11Å; R354-F527 VanDerWaalsContact NH1-C 3.28Å
355	K	92.3	Very high	90.1	Very high	125 Å²	125	64.8 Å²	64.8	54%	0.543	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-82.2	121.4	170.9	-174.1	178.4	180	-177.1	0	109.4	E353 P357 G1166	E353-K355 HydrophobicContact CB-CB 4.4Å; E353-K355 PolarHBondContact O-N 3.4Å; K355-P357 WeakPolarHBondContact O-CD 3.31Å; K355-G1166 VanDerWaalsContact O-CA 3.3Å; K355-G1166 WeakPolarHBondContact O-CA 3.42Å
356	N	93.6	Very high	90.4	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.016	33%	0.329	C	S	.	.			trans	-78.9	114.8	176.7	178.8	-3	0	0	0	110.2	Y358 A359 F520 E522 R523 M525	N356-Y358 PolarHBondContact O-N 2.91Å; N356-Y358 VanDerWaalsContact O-N 3.11Å; N356-Y358 PolarHBondContact OD1-N 3.43Å; N356-A359 HydrophobicContact CB-CB 3.94Å; N356-A359 PolarHBondContact O-N 3.17Å; N356-A359 PolarHBondContact OD1-N 3.38Å; N356-F520 PolarHBondContact ND2-O 3.17Å; N356-E522 VanDerWaalsContact CB-O 3.23Å; N356-E522 WeakPolarHBondContact CB-O 3.26Å; N356-E522 PolarHBondContact ND2-O 2.96Å; N356-R523 WeakPolarHBondContact CB-O 3.46Å; N356-R523 PolarHBondContact N-O 2.95Å; N356-M525 HydrophobicContact CB-CG 3.54Å; N356-M525 HydrophobicContact CB-SD 4.36Å
357	P	93.7	Very high	90.7	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.032	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.1	-179.9	24.7	-31.8	0	0	0	112.3	K355 K833 L1163 V1168	K355-P357 WeakPolarHBondContact O-CD 3.31Å; P357-K833 WeakPolarHBondContact O-CD 2.92Å; P357-K833 WeakPolarHBondContact O-CE 3.4Å; P357-K833 PolarHBondContact O-NZ 3.21Å; P357-L1163 HydrophobicContact CG-CD1 4.09Å; P357-V1168 HydrophobicContact CB-CG2 4Å
358	Y	94.6	Very high	90.9	Very high	1 Å²	1	60.9 Å²	60.9	0%	0.004	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	3.9	-174.5	-48.4	-54.8	0	0	0	114.5	N356 I361 F520 F530 C712 P713 V1168	N356-Y358 PolarHBondContact O-N 2.91Å; N356-Y358 VanDerWaalsContact O-N 3.11Å; N356-Y358 PolarHBondContact OD1-N 3.43Å; Y358-I361 WeakPolarHBondContact O-CB 3.31Å; Y358-I361 PolarHBondContact O-N 2.84Å; Y358-F520 HydrophobicContact CD2-CE2 4.44Å; Y358-F520 HydrophobicContact CD2-CZ 4.15Å; Y358-F520 HydrophobicContact CG-CZ 4.32Å; Y358-F530 HydrophobicContact CD2-CE1 4.46Å; Y358-F530 HydrophobicContact CD2-CE2 4.48Å; Y358-F530 AromaticContact CD2-CZ 3.73Å; Y358-F530 HydrophobicContact CD2-CZ 3.73Å; Y358-F530 HydrophobicContact CE2-CE2 4.2Å; Y358-F530 AromaticContact CE2-CZ 3.86Å; Y358-F530 HydrophobicContact CE2-CZ 3.86Å; Y358-C712 HydrophobicContact CE1-CB 4.33Å; Y358-P713 HydrophobicContact CD1-CG 4.17Å; Y358-V1168 HydrophobicContact CD1-CG2 4.29Å; Y358-V1168 HydrophobicContact CE1-CB 4.35Å; Y358-V1168 HydrophobicContact CE1-CG1 4.12Å; Y358-V1168 HydrophobicContact CE1-CG2 3.9Å
359	A	91.8	Very high	91.3	Very high	11 Å²	11	57.4 Å²	57.4	9%	0.091	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	148	179.4	0	0	0	0	0	113.6	N356 I361 E522 R523 K833	N356-A359 HydrophobicContact CB-CB 3.94Å; N356-A359 PolarHBondContact O-N 3.17Å; N356-A359 PolarHBondContact OD1-N 3.38Å; A359-I361 PolarHBondContact O-N 2.91Å; A359-E522 WeakPolarHBondContact CB-O 3.33Å; A359-R523 VanDerWaalsContact CB-CA 3.46Å; A359-R523 HydrophobicContact CB-CB 4.35Å; A359-R523 HydrophobicContact CB-CG 4.15Å; A359-K833 WeakPolarHBondContact O-CE 3.34Å; A359-K833 PolarHBondContact O-NZ 3.25Å
360	G	88.7	Confident	91.8	Very high	52 Å²	52	59.5 Å²	59.5	54%	0.536	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	15.7	178.1	0	0	0	0	0	114.3	F362 N521	G360-F362 PolarHBondContact O-N 2.93Å; G360-N521 WeakPolarHBondContact CA-OD1 3.32Å; G360-N521 PolarHBondContact N-O 3.32Å; G360-N521 PolarHBondContact N-OD1 2.94Å; G360-N521 VanDerWaalsContact N-OD1 3.13Å
361	I	94.1	Very high	92.3	Very high	20 Å²	20	58.4 Å²	58.4	10%	0.103	31%	0.306	C	S	.	.	S	Bend	trans	-66.5	-29.5	174.1	-168.3	60.5	0	0	0	111.7	Y358 A359 F520 N521 P713 I797 W799 A832 K833	Y358-I361 WeakPolarHBondContact O-CB 3.31Å; Y358-I361 PolarHBondContact O-N 2.84Å; A359-I361 PolarHBondContact O-N 2.91Å; I361-F520 HydrophobicContact CG2-CE1 4.18Å; I361-N521 PolarHBondContact N-OD1 3.28Å; I361-N521 VanDerWaalsContact N-OD1 3.1Å; I361-P713 HydrophobicContact CD1-CB 4Å; I361-P713 HydrophobicContact CD1-CG 3.92Å; I361-P713 HydrophobicContact CG1-CB 3.93Å; I361-P713 HydrophobicContact CG1-CG 4.03Å; I361-I797 HydrophobicContact CD1-CD1 3.8Å; I361-I797 HydrophobicContact CD1-CG2 4.14Å; I361-I797 HydrophobicContact CG1-CD1 3.98Å; I361-I797 HydrophobicContact CG1-CG2 4.07Å; I361-W799 HydrophobicContact CG1-CH2 4.47Å; I361-W799 HydrophobicContact CG1-CZ2 4.16Å; I361-W799 HydrophobicContact CG2-CZ2 4.4Å; I361-A832 HydrophobicContact CD1-CB 3.74Å; I361-K833 HydrophobicContact CD1-CB 4.35Å
362	F	92.8	Very high	92.7	Very high	15 Å²	15	49.8 Å²	49.8	7%	0.066	27%	0.268	C	S	.	.	S	Bend	trans	-103.4	139	167.5	-60.1	-74.8	0	0	0	109.3	G360 D367 I368 A371 N521 P653 W799	G360-F362 PolarHBondContact O-N 2.93Å; F362-D367 HydrophobicContact CB-CB 4.26Å; F362-D367 HydrophobicContact CD1-CB 4.12Å; F362-I368 HydrophobicContact CB-CD1 4.28Å; F362-I368 HydrophobicContact CB-CG1 3.61Å; F362-I368 HydrophobicContact CD1-CG1 4.14Å; F362-I368 HydrophobicContact CD2-CD1 4.3Å; F362-I368 HydrophobicContact CD2-CG1 3.59Å; F362-I368 HydrophobicContact CE2-CG1 4.28Å; F362-I368 HydrophobicContact CG-CD1 4.46Å; F362-I368 HydrophobicContact CG-CG1 3.5Å; F362-A371 HydrophobicContact CE1-CB 3.69Å; F362-A371 HydrophobicContact CZ-CB 4.17Å; F362-N521 PolarHBondContact N-OD1 3.48Å; F362-N521 VanDerWaalsContact N-OD1 3.13Å; F362-N521 PolarHBondContact O-ND2 3.01Å; F362-P653 HydrophobicContact CE2-CG 3.98Å; F362-P653 HydrophobicContact CZ-CG 4.38Å; F362-W799 HydrophobicContact CE1-CH2 4.12Å; F362-W799 HydrophobicContact CE2-CH2 4.1Å; F362-W799 HydrophobicContact CE2-CZ2 4.31Å; F362-W799 AromaticContact CZ-CH2 3.47Å; F362-W799 HydrophobicContact CZ-CH2 3.47Å; F362-W799 VanDerWaalsContact CZ-CH2 3.47Å; F362-W799 HydrophobicContact CZ-CZ2 4.11Å; F362-W799 HydrophobicContact CZ-CZ3 4.23Å
363	T	88.7	Confident	93.1	Very high	121 Å²	121	53.8 Å²	53.8	74%	0.742	29%	0.285	S	S	*	.	S	Bend	trans	-72	-40.7	-179	70	0	0	0	0	111.4	D367	T363-D367 WeakPolarHBondContact CB-OD2 3.3Å; T363-D367 PolarHBondContact N-OD2 2.93Å; T363-D367 PolarHBondContact OG1-OD2 3.22Å
364	D	88.3	Confident	93.3	Very high	86 Å²	86	51.6 Å²	51.6	46%	0.46	28%	0.28	S	S	.	.	S	Bend	trans	-147.5	-176.4	179.6	69.8	22.7	0	0	0	112.8	G366 D367	D364-G366 VanDerWaalsContact C-N 3.32Å; D364-G366 VanDerWaalsContact OD1-CA 3.23Å; D364-G366 WeakPolarHBondContact OD1-CA 3.38Å; D364-G366 PolarHBondContact OD1-N 3.3Å; D364-D367 PolarHBondContact OD1-N 3.15Å
365	F	88.8	Confident	93.5	Very high	117 Å²	117	47.8 Å²	47.8	51%	0.513	27%	0.265	S	S	.	.	H	α-helix	trans	-67.8	-29.4	176.5	-175.8	-92.9	0	0	0	113.3	I368 S369 M514	F365-I368 PolarHBondContact O-N 2.77Å; F365-S369 PolarHBondContact O-N 2.95Å; F365-M514 HydrophobicContact CE2-CB 4.1Å; F365-M514 HydrophobicContact CE2-CG 4.4Å; F365-M514 HydrophobicContact CE2-SD 4.35Å; F365-M514 HydrophobicContact CZ-CB 4.06Å; F365-M514 HydrophobicContact CZ-CG 3.97Å; F365-M514 HydrophobicContact CZ-SD 4.08Å
366	G	92.7	Very high	93.6	Very high	40 Å²	40	42.4 Å²	42.4	41%	0.412	24%	0.243	S	C	.	.	H	α-helix	trans	-64	-42.9	177.6	0	0	0	0	0	111.8	D364 S369 K370	D364-G366 VanDerWaalsContact C-N 3.32Å; D364-G366 VanDerWaalsContact OD1-CA 3.23Å; D364-G366 WeakPolarHBondContact OD1-CA 3.38Å; D364-G366 PolarHBondContact OD1-N 3.3Å; G366-S369 PolarHBondContact O-N 3.42Å; G366-K370 WeakPolarHBondContact O-CB 3.35Å; G366-K370 PolarHBondContact O-N 3.19Å
367	D	94.1	Very high	93.7	Very high	58 Å²	58	47.8 Å²	47.8	31%	0.31	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-42.7	175.1	-79.8	-16.6	0	0	0	112.2	F362 T363 D364 S369 K370 A371	F362-D367 HydrophobicContact CB-CB 4.26Å; F362-D367 HydrophobicContact CD1-CB 4.12Å; T363-D367 WeakPolarHBondContact CB-OD2 3.3Å; T363-D367 PolarHBondContact N-OD2 2.93Å; T363-D367 PolarHBondContact OG1-OD2 3.22Å; D364-D367 PolarHBondContact OD1-N 3.15Å; D367-S369 VanDerWaalsContact C-N 3.33Å; D367-S369 PolarHBondContact O-N 3.49Å; D367-K370 PolarHBondContact O-N 3.37Å; D367-A371 WeakPolarHBondContact O-CB 3.19Å; D367-A371 PolarHBondContact O-N 3.47Å
368	I	94	Very high	93.7	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-47.8	174.3	-64.3	172.7	0	0	0	110.1	F362 F365 K370 A371 F372 M514 A517 N521	F362-I368 HydrophobicContact CB-CD1 4.28Å; F362-I368 HydrophobicContact CB-CG1 3.61Å; F362-I368 HydrophobicContact CD1-CG1 4.14Å; F362-I368 HydrophobicContact CD2-CD1 4.3Å; F362-I368 HydrophobicContact CD2-CG1 3.59Å; F362-I368 HydrophobicContact CE2-CG1 4.28Å; F362-I368 HydrophobicContact CG-CD1 4.46Å; F362-I368 HydrophobicContact CG-CG1 3.5Å; F365-I368 PolarHBondContact O-N 2.77Å; I368-K370 VanDerWaalsContact C-N 3.34Å; I368-K370 PolarHBondContact O-N 3.04Å; I368-A371 PolarHBondContact O-N 2.76Å; I368-F372 WeakPolarHBondContact O-CB 3.3Å; I368-F372 PolarHBondContact O-N 3.45Å; I368-M514 HydrophobicContact CG2-SD 4Å; I368-A517 HydrophobicContact CG2-CB 3.42Å; I368-A517 VanDerWaalsContact CG2-CB 3.42Å; I368-N521 HydrophobicContact CD1-CB 4.16Å
369	S	95.7	Very high	93.6	Very high	19 Å²	19	48.6 Å²	48.6	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-42.6	179.4	-171.3	0	0	0	0	111.9	F365 G366 D367 F372 K373	F365-S369 PolarHBondContact O-N 2.95Å; G366-S369 PolarHBondContact O-N 3.42Å; D367-S369 VanDerWaalsContact C-N 3.33Å; D367-S369 PolarHBondContact O-N 3.49Å; S369-F372 PolarHBondContact O-N 3.2Å; S369-K373 WeakPolarHBondContact O-CB 3.21Å; S369-K373 VanDerWaalsContact O-CG 3.28Å; S369-K373 WeakPolarHBondContact O-CG 3.49Å; S369-K373 PolarHBondContact O-N 2.77Å; S369-K373 WeakPolarHBondContact OG-CE 3.48Å; S369-K373 PolarHBondContact OG-NZ 3.44Å
370	K	96.7	Very high	93.6	Very high	145 Å²	145	51.4 Å²	51.4	63%	0.63	28%	0.282	S	S	*	.	H	α-helix	trans	-63.7	-44.1	177.2	-175.7	-179.5	176.8	-176	0	111.8	G366 D367 I368 K373 S374	G366-K370 WeakPolarHBondContact O-CB 3.35Å; G366-K370 PolarHBondContact O-N 3.19Å; D367-K370 PolarHBondContact O-N 3.37Å; I368-K370 VanDerWaalsContact C-N 3.34Å; I368-K370 PolarHBondContact O-N 3.04Å; K370-K373 PolarHBondContact O-N 2.99Å; K370-S374 WeakPolarHBondContact O-CB 3.18Å; K370-S374 PolarHBondContact O-N 2.6Å; K370-S374 PolarHBondContact O-OG 2.93Å
371	A	96.7	Very high	93.6	Very high	13 Å²	13	53.1 Å²	53.1	11%	0.107	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-49.1	176.8	0	0	0	0	0	111.6	F362 D367 I368 S374 Q375 L651 C652	F362-A371 HydrophobicContact CE1-CB 3.69Å; F362-A371 HydrophobicContact CZ-CB 4.17Å; D367-A371 WeakPolarHBondContact O-CB 3.19Å; D367-A371 PolarHBondContact O-N 3.47Å; I368-A371 PolarHBondContact O-N 2.76Å; A371-S374 PolarHBondContact O-N 2.71Å; A371-Q375 PolarHBondContact O-N 3.33Å; A371-L651 WeakPolarHBondContact CB-O 3.49Å; A371-C652 HydrophobicContact CB-CB 4.16Å
372	F	96.7	Very high	93.2	Very high	3 Å²	3	53.3 Å²	53.3	1%	0.013	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-48.8	175.6	172	-95.3	0	0	0	112.3	I368 S369 S374 Q375 M376 L509 E510 Y513 M514 L666	I368-F372 WeakPolarHBondContact O-CB 3.3Å; I368-F372 PolarHBondContact O-N 3.45Å; S369-F372 PolarHBondContact O-N 3.2Å; F372-S374 VanDerWaalsContact C-N 3.29Å; F372-S374 PolarHBondContact O-N 3.03Å; F372-Q375 PolarHBondContact O-N 3.25Å; F372-M376 HydrophobicContact CE1-CE 3.93Å; F372-M376 HydrophobicContact CE2-CE 3.9Å; F372-M376 HydrophobicContact CZ-CE 3.28Å; F372-M376 VanDerWaalsContact O-CB 3.3Å; F372-M376 WeakPolarHBondContact O-CB 3.29Å; F372-M376 PolarHBondContact O-N 3.23Å; F372-L509 HydrophobicContact CE2-CG 4.39Å; F372-E510 HydrophobicContact CD1-CB 4.42Å; F372-E510 HydrophobicContact CD1-CG 3.97Å; F372-E510 HydrophobicContact CE1-CB 3.46Å; F372-E510 VanDerWaalsContact CE1-CB 3.46Å; F372-E510 HydrophobicContact CE1-CG 3.45Å; F372-E510 VanDerWaalsContact CE1-CG 3.45Å; F372-E510 HydrophobicContact CZ-CB 3.63Å; F372-E510 HydrophobicContact CZ-CG 4.09Å; F372-Y513 HydrophobicContact CB-CD1 4.06Å; F372-Y513 HydrophobicContact CB-CE1 4.02Å; F372-Y513 AromaticContact CD2-CD1 3.23Å; F372-Y513 HydrophobicContact CD2-CD1 3.23Å; F372-Y513 HydrophobicContact CD2-CD2 4.21Å; F372-Y513 AromaticContact CD2-CE1 3.74Å; F372-Y513 HydrophobicContact CD2-CE1 3.74Å; F372-Y513 AromaticContact CD2-CG 3.51Å; F372-Y513 HydrophobicContact CD2-CG 3.51Å; F372-Y513 AromaticContact CE2-CD1 3.92Å; F372-Y513 HydrophobicContact CE2-CD1 3.92Å; F372-Y513 HydrophobicContact CE2-CD2 4.38Å; F372-Y513 AromaticContact CE2-CG 3.72Å; F372-Y513 HydrophobicContact CE2-CG 3.72Å; F372-Y513 AromaticContact CG-CD1 3.9Å; F372-Y513 HydrophobicContact CG-CD1 3.9Å; F372-Y513 HydrophobicContact CG-CE1 4.3Å; F372-M514 HydrophobicContact CB-CE 3.68Å; F372-M514 HydrophobicContact CD1-CE 3.52Å; F372-M514 HydrophobicContact CD2-CE 4.48Å; F372-M514 HydrophobicContact CE1-CE 4.3Å; F372-M514 HydrophobicContact CG-CE 3.63Å; F372-L666 HydrophobicContact CD2-CD1 3.68Å; F372-L666 HydrophobicContact CD2-CD2 4.35Å; F372-L666 HydrophobicContact CE2-CD1 3.69Å; F372-L666 HydrophobicContact CE2-CD2 4.19Å
373	K	97	Very high	92.9	Very high	116 Å²	116	54.5 Å²	54.5	50%	0.504	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-38.2	179.8	-75.1	172.2	-179	165.2	0	111.8	S369 K370 H377 E510	S369-K373 WeakPolarHBondContact O-CB 3.21Å; S369-K373 VanDerWaalsContact O-CG 3.28Å; S369-K373 WeakPolarHBondContact O-CG 3.49Å; S369-K373 PolarHBondContact O-N 2.77Å; S369-K373 WeakPolarHBondContact OG-CE 3.48Å; S369-K373 PolarHBondContact OG-NZ 3.44Å; K370-K373 PolarHBondContact O-N 2.99Å; K373-H377 WeakPolarHBondContact O-CB 3.43Å; K373-H377 PolarHBondContact O-N 3.43Å; K373-E510 WeakPolarHBondContact CE-OE1 3.44Å
374	S	96.6	Very high	93	Very high	46 Å²	46	49.1 Å²	49.1	32%	0.322	25%	0.252	S	S	.	.	H	α-helix	trans	-64.4	-47	175.5	-57.5	0	0	0	0	111	K370 A371 F372 H377 V378	K370-S374 WeakPolarHBondContact O-CB 3.18Å; K370-S374 PolarHBondContact O-N 2.6Å; K370-S374 PolarHBondContact O-OG 2.93Å; A371-S374 PolarHBondContact O-N 2.71Å; F372-S374 VanDerWaalsContact C-N 3.29Å; F372-S374 PolarHBondContact O-N 3.03Å; S374-H377 PolarHBondContact O-N 3.42Å; S374-V378 WeakPolarHBondContact O-CG2 3.41Å; S374-V378 PolarHBondContact O-N 3.25Å; S374-V378 VanDerWaalsContact O-N 3.1Å
375	Q	96.4	Very high	93.2	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.009	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-45.4	176.5	-176.8	59.8	28.7	0	0	111.9	A371 F372 H377 V378 E379 M650 L651 L666	A371-Q375 PolarHBondContact O-N 3.33Å; F372-Q375 PolarHBondContact O-N 3.25Å; Q375-H377 VanDerWaalsContact C-N 3.3Å; Q375-H377 PolarHBondContact O-N 2.92Å; Q375-V378 PolarHBondContact O-N 2.96Å; Q375-E379 PolarHBondContact NE2-OE1 3.01Å; Q375-E379 PolarHBondContact O-N 3.25Å; Q375-M650 HydrophobicContact CG-CE 4.11Å; Q375-L651 HydrophobicContact CB-CB 4.4Å; Q375-L666 HydrophobicContact CB-CD1 3.84Å; Q375-L666 HydrophobicContact CG-CD1 3.57Å; Q375-L666 HydrophobicContact CG-CG 3.94Å
376	M	94.8	Very high	93.3	Very high	13 Å²	13	43.6 Å²	43.6	6%	0.064	23%	0.232	C	C	.	.	H	α-helix	trans	-58	-43.1	176.5	-179.2	68.5	67.5	0	0	111.3	F372 E379 K380 F506 L509 L666 I667	F372-M376 HydrophobicContact CE1-CE 3.93Å; F372-M376 HydrophobicContact CE2-CE 3.9Å; F372-M376 HydrophobicContact CZ-CE 3.28Å; F372-M376 VanDerWaalsContact O-CB 3.3Å; F372-M376 WeakPolarHBondContact O-CB 3.29Å; F372-M376 PolarHBondContact O-N 3.23Å; M376-E379 PolarHBondContact O-N 3.37Å; M376-K380 VanDerWaalsContact O-CG 3.31Å; M376-K380 WeakPolarHBondContact O-CG 3.36Å; M376-K380 PolarHBondContact O-N 3.32Å; M376-F506 HydrophobicContact CE-CB 4.16Å; M376-F506 HydrophobicContact CE-CD1 4.15Å; M376-F506 HydrophobicContact CE-CG 4.46Å; M376-F506 HydrophobicContact SD-CB 4.12Å; M376-F506 HydrophobicContact SD-CD1 3.57Å; M376-F506 VanDerWaalsContact SD-CD1 3.57Å; M376-F506 HydrophobicContact SD-CE1 4.17Å; M376-F506 HydrophobicContact SD-CG 3.89Å; M376-L509 HydrophobicContact CE-CD2 3.88Å; M376-L666 HydrophobicContact CB-CD1 4.44Å; M376-L666 HydrophobicContact CE-CD1 4.4Å; M376-I667 HydrophobicContact SD-CD1 3.56Å; M376-I667 VanDerWaalsContact SD-CD1 3.56Å; M376-I667 HydrophobicContact SD-CG1 3.75Å
377	H	95.3	Very high	93.2	Very high	115 Å²	115	46 Å²	46	53%	0.532	24%	0.242	S	C	.	.	H	α-helix	trans	-62.1	-45.8	178	-177.4	58.4	0	0	0	112.1	K373 S374 Q375 E379 K380 M381	K373-H377 WeakPolarHBondContact O-CB 3.43Å; K373-H377 PolarHBondContact O-N 3.43Å; S374-H377 PolarHBondContact O-N 3.42Å; Q375-H377 VanDerWaalsContact C-N 3.3Å; Q375-H377 PolarHBondContact O-N 2.92Å; H377-E379 PolarHBondContact O-N 2.99Å; H377-K380 PolarHBondContact O-N 3.04Å; H377-M381 VanDerWaalsContact CE1-CE 3.44Å; H377-M381 WeakPolarHBondContact CE1-CE 3.37Å; H377-M381 WeakPolarHBondContact NE2-CE 3.46Å; H377-M381 PolarHBondContact O-N 3.39Å
378	V	93.6	Very high	92.9	Very high	23 Å²	23	45 Å²	45	14%	0.139	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-46	177.9	172.5	0	0	0	0	111	S374 Q375 K380 M381 V384 P645	S374-V378 WeakPolarHBondContact O-CG2 3.41Å; S374-V378 PolarHBondContact O-N 3.25Å; S374-V378 VanDerWaalsContact O-N 3.1Å; Q375-V378 PolarHBondContact O-N 2.96Å; V378-K380 PolarHBondContact O-N 3.34Å; V378-M381 PolarHBondContact O-N 2.88Å; V378-V384 HydrophobicContact CG1-CG1 4.34Å; V378-V384 HydrophobicContact CG1-CG2 3.55Å; V378-P645 HydrophobicContact CG1-CB 4.36Å; V378-P645 WeakPolarHBondContact O-CG 3.42Å
379	E	92.5	Very high	92.7	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-69.9	-30	-179	-69.8	-170.8	-140.2	0	0	113.7	Q375 M376 H377 M381 T382 P645 L666 I667 S668	Q375-E379 PolarHBondContact NE2-OE1 3.01Å; Q375-E379 PolarHBondContact O-N 3.25Å; M376-E379 PolarHBondContact O-N 3.37Å; H377-E379 PolarHBondContact O-N 2.99Å; E379-M381 VanDerWaalsContact C-N 3.26Å; E379-M381 PolarHBondContact O-N 3.21Å; E379-T382 PolarHBondContact O-N 3.39Å; E379-P645 HydrophobicContact CB-CB 4.48Å; E379-P645 HydrophobicContact CG-CB 4.07Å; E379-L666 PolarHBondContact OE1-N 3.09Å; E379-L666 PolarHBondContact OE2-N 2.97Å; E379-L666 VanDerWaalsContact OE2-N 3.08Å; E379-I667 HydrophobicContact CB-CB 4.04Å; E379-I667 HydrophobicContact CB-CD1 3.6Å; E379-I667 HydrophobicContact CB-CG1 3.87Å; E379-I667 WeakPolarHBondContact OE2-CA 3.16Å; E379-I667 WeakPolarHBondContact OE2-CB 3.34Å; E379-I667 PolarHBondContact OE2-N 2.79Å; E379-S668 PolarHBondContact OE2-N 3.14Å
380	K	92.2	Very high	92	Very high	70 Å²	70	45.5 Å²	45.5	30%	0.304	24%	0.24	S	C	.	.	H	α-helix	trans	-65.9	-26.9	175.4	-78.7	-175.8	-179.6	-152.8	0	113.4	M376 H377 V378 T382 V497 E501 F506 I667	M376-K380 VanDerWaalsContact O-CG 3.31Å; M376-K380 WeakPolarHBondContact O-CG 3.36Å; M376-K380 PolarHBondContact O-N 3.32Å; H377-K380 PolarHBondContact O-N 3.04Å; V378-K380 PolarHBondContact O-N 3.34Å; K380-T382 PolarHBondContact O-N 3.33Å; K380-V497 HydrophobicContact CG-CG1 4.43Å; K380-E501 IonicContact NZ-OE1 2.79Å; K380-E501 PolarHBondContact NZ-OE1 2.81Å; K380-F506 HydrophobicContact CD-CE2 4.21Å; K380-F506 HydrophobicContact CG-CE2 4.26Å; K380-F506 HydrophobicContact CG-CZ 4.3Å; K380-I667 HydrophobicContact CB-CD1 4.43Å; K380-I667 HydrophobicContact CG-CD1 3.62Å
381	M	87.8	Confident	90.9	Very high	87 Å²	87	40.7 Å²	40.7	43%	0.429	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.3	-177.6	-65.6	-172.5	177.8	0	0	113.3	H377 V378 E379 E383	H377-M381 VanDerWaalsContact CE1-CE 3.44Å; H377-M381 WeakPolarHBondContact CE1-CE 3.37Å; H377-M381 WeakPolarHBondContact NE2-CE 3.46Å; H377-M381 PolarHBondContact O-N 3.39Å; V378-M381 PolarHBondContact O-N 2.88Å; E379-M381 VanDerWaalsContact C-N 3.26Å; E379-M381 PolarHBondContact O-N 3.21Å; M381-E383 VanDerWaalsContact CB-O 3.24Å; M381-E383 WeakPolarHBondContact CB-O 3.37Å; M381-E383 PolarHBondContact O-N 3.29Å
382	T	84.9	Confident	89.7	Confident	25 Å²	25	41.4 Å²	41.4	15%	0.153	23%	0.228	C	C	.	.	S	Bend	trans	60.3	-25.4	-172.7	67.9	0	0	0	0	115.9	E379 K380 V497 H644 P645	E379-T382 PolarHBondContact O-N 3.39Å; K380-T382 PolarHBondContact O-N 3.33Å; T382-V497 HydrophobicContact CG2-CB 4.33Å; T382-V497 HydrophobicContact CG2-CG2 3.76Å; T382-H644 PolarHBondContact O-CD2 3.4Å; T382-P645 VanDerWaalsContact C-CD 3.47Å; T382-P645 WeakPolarHBondContact O-CD 3.32Å
383	E	87.8	Confident	88.3	Confident	40 Å²	40	43.8 Å²	43.8	19%	0.187	24%	0.239	C	C	.	.	S	Bend	trans	-141.2	136.2	170.5	-74.4	-168.4	-167	0	0	109.1	M381 T464 R490 S642 F643	M381-E383 VanDerWaalsContact CB-O 3.24Å; M381-E383 WeakPolarHBondContact CB-O 3.37Å; M381-E383 PolarHBondContact O-N 3.29Å; E383-T464 WeakPolarHBondContact OE2-CG2 3.49Å; E383-R490 IonicContact OE1-CZ 3.5Å; E383-R490 IonicContact OE1-NE 3.45Å; E383-R490 IonicContact OE1-NH1 2.76Å; E383-S642 PolarHBondContact OE2-OG 3.32Å; E383-S642 VanDerWaalsContact OE2-OG 3.1Å; E383-F643 CarbonylContact C-O 3.48Å; E383-F643 WeakPolarHBondContact CA-O 3.48Å
384	V	91.3	Very high	86.8	Confident	7 Å²	7	38.8 Å²	38.8	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.3	-172.8	-177.6	0	0	0	0	108.1	V378 S642 F643 P645 L648	V378-V384 HydrophobicContact CG1-CG1 4.34Å; V378-V384 HydrophobicContact CG1-CG2 3.55Å; V384-S642 WeakPolarHBondContact O-CA 3.35Å; V384-F643 PolarHBondContact N-O 3.15Å; V384-F643 PolarHBondContact O-N 2.95Å; V384-P645 HydrophobicContact CG2-CB 4.23Å; V384-P645 HydrophobicContact CG2-CG 3.8Å; V384-L648 HydrophobicContact CB-CD1 3.67Å; V384-L648 HydrophobicContact CG1-CD1 3.65Å; V384-L648 HydrophobicContact CG2-CD1 4.13Å
385	T	90.7	Very high	85.1	Confident	88 Å²	88	41.5 Å²	41.5	54%	0.54	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	133.5	177	55.5	0	0	0	0	111	P640 L641 Q792	T385-P640 HydrophobicContact CG2-CG 3.79Å; T385-L641 CarbonylContact C-O 3.58Å; T385-L641 VanDerWaalsContact CA-O 3.29Å; T385-L641 WeakPolarHBondContact CA-O 3.47Å; T385-Q792 PolarHBondContact O-OE1 2.97Å
386	V	91.7	Very high	83	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.5	176.6	176.5	0	0	0	0	109	P388 L641 F643 L648 Q792	V386-P388 WeakPolarHBondContact O-CD 3.33Å; V386-L641 HydrophobicContact CB-CB 4.24Å; V386-L641 PolarHBondContact N-O 3.17Å; V386-L641 WeakPolarHBondContact O-CB 3.44Å; V386-L641 PolarHBondContact O-N 2.88Å; V386-F643 HydrophobicContact CB-CD2 4.01Å; V386-F643 HydrophobicContact CB-CE2 3.83Å; V386-F643 HydrophobicContact CG1-CE2 4.34Å; V386-F643 HydrophobicContact CG2-CD2 3.45Å; V386-F643 VanDerWaalsContact CG2-CD2 3.45Å; V386-F643 HydrophobicContact CG2-CE2 3.73Å; V386-L648 HydrophobicContact CG2-CD1 4.44Å; V386-L648 HydrophobicContact CG2-CD2 4.34Å; V386-Q792 HydrophobicContact CG1-CB 4.31Å
387	S	89.8	Confident	81	Confident	89 Å²	89	51.2 Å²	51.2	62%	0.622	28%	0.28	S	S	*	.			trans	-68.3	121.4	176.7	-63.2	0	0	0	0	109.9
388	P	88.4	Confident	79.1	Confident	37 Å²	37	49.8 Å²	49.8	24%	0.24	28%	0.279	C	S	.	.			trans	-70.3	139.7	-178.6	28.2	-33.7	0	0	0	111.7	V386 L390 P392 L641 L784 S788	V386-P388 WeakPolarHBondContact O-CD 3.33Å; P388-L390 WeakPolarHBondContact CB-O 3.34Å; P388-P392 HydrophobicContact CB-CG 4.01Å; P388-P392 HydrophobicContact CG-CG 3.89Å; P388-L641 HydrophobicContact CB-CD1 3.91Å; P388-L641 HydrophobicContact CB-CG 3.91Å; P388-L784 HydrophobicContact CB-CD1 4.14Å; P388-S788 WeakPolarHBondContact CA-OG 3.49Å
389	V	89.3	Confident	77.5	Confident	12 Å²	12	52.6 Å²	52.6	7%	0.073	31%	0.305	C	S	.	.	S	Bend	trans	-78.9	-19.4	175.3	-69.2	0	0	0	0	113.8	I725 L787 S788 N791	V389-I725 HydrophobicContact CB-CD1 4.38Å; V389-I725 HydrophobicContact CB-CG1 4.44Å; V389-I725 HydrophobicContact CG1-CD1 3.85Å; V389-I725 HydrophobicContact CG1-CG1 4.4Å; V389-L787 HydrophobicContact CG2-CB 3.61Å; V389-S788 PolarHBondContact N-OG 3.1Å; V389-S788 VanDerWaalsContact N-OG 3.08Å; V389-N791 HydrophobicContact CG1-CB 3.54Å
390	L	80.8	Confident	76.3	Confident	23 Å²	23	58.6 Å²	58.6	12%	0.12	34%	0.344	C	S	.	.	S	Bend	trans	-135.4	155.1	177.4	-54.6	163.5	0	0	0	108.2	P388 A728 R729 W780 L784	P388-L390 WeakPolarHBondContact CB-O 3.34Å; L390-A728 HydrophobicContact CD1-CB 3.72Å; L390-A728 HydrophobicContact CD2-CB 4.08Å; L390-A728 HydrophobicContact CG-CB 4.41Å; L390-R729 HydrophobicContact CD2-CG 3.69Å; L390-W780 HydrophobicContact CB-CH2 4.48Å; L390-W780 HydrophobicContact CB-CZ2 4.08Å; L390-W780 HydrophobicContact CD1-CH2 3.83Å; L390-W780 HydrophobicContact CD1-CZ2 3.99Å; L390-W780 HydrophobicContact CD1-CZ3 4.44Å; L390-L784 HydrophobicContact CB-CD1 3.99Å; L390-L784 VanDerWaalsContact O-CD1 3.29Å; L390-L784 WeakPolarHBondContact O-CD1 3.08Å
391	S	75.4	Confident	75.7	Confident	44 Å²	44	57.7 Å²	57.7	31%	0.308	34%	0.342	S	S	.	.			trans	-59.1	131	179.4	-176	0	0	0	0	111.8	F393 G394	S391-F393 PolarHBondContact O-N 3.49Å; S391-F393 PolarHBondContact OG-N 3.48Å; S391-G394 WeakPolarHBondContact CB-O 3.13Å; S391-G394 PolarHBondContact O-N 2.97Å
392	P	70.3	Confident	75.6	Confident	28 Å²	28	56.5 Å²	56.5	18%	0.182	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.4	172.4	-22.5	33.1	0	0	0	113.3	P388 G394 L641 L784	P388-P392 HydrophobicContact CB-CG 4.01Å; P388-P392 HydrophobicContact CG-CG 3.89Å; P392-G394 VanDerWaalsContact C-N 3.35Å; P392-L641 HydrophobicContact CB-CD2 4.27Å; P392-L641 HydrophobicContact CG-CD2 4.03Å; P392-L784 HydrophobicContact CB-CD2 4.36Å
393	F	67.5	Low	75.6	Confident	53 Å²	53	60.7 Å²	60.7	23%	0.232	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-4.4	178.5	-55.7	-80	0	0	0	113	S391 V471 R634	S391-F393 PolarHBondContact O-N 3.49Å; S391-F393 PolarHBondContact OG-N 3.48Å; F393-V471 HydrophobicContact CZ-CG2 4.48Å; F393-R634 HydrophobicContact CB-CG 3.77Å; F393-R634 HydrophobicContact CD1-CB 3.97Å; F393-R634 HydrophobicContact CD1-CG 4.01Å; F393-R634 HydrophobicContact CD2-CB 4.11Å; F393-R634 HydrophobicContact CD2-CG 3.89Å; F393-R634 HydrophobicContact CE1-CB 4.09Å; F393-R634 HydrophobicContact CE2-CB 4.23Å; F393-R634 HydrophobicContact CG-CB 3.98Å; F393-R634 HydrophobicContact CG-CG 3.61Å; F393-R634 HydrophobicContact CZ-CB 4.21Å
394	G	64.7	Low	75.7	Confident	11 Å²	11	65.1 Å²	65.1	11%	0.113	39%	0.388	C	S	.	.			trans	78.7	-163.6	-176.9	0	0	0	0	0	114.7	S391 P392	S391-G394 WeakPolarHBondContact CB-O 3.13Å; S391-G394 PolarHBondContact O-N 2.97Å; P392-G394 VanDerWaalsContact C-N 3.35Å
395	Q	61.1	Low	75.7	Confident	103 Å²	103	65.4 Å²	65.4	48%	0.481	39%	0.39	S	S	.	.	S	Bend	trans	-77.4	123.7	175.4	-66.2	-172	2.6	0	0	109.7	W741	Q395-W741 HydrophobicContact CB-CD2 4.12Å; Q395-W741 HydrophobicContact CB-CG 4.45Å; Q395-W741 HydrophobicContact CB-CZ2 4.29Å; Q395-W741 HydrophobicContact CG-CD2 4.4Å; Q395-W741 WeakPolarHBondContact O-CZ2 3.14Å
396	S	53.2	Low	75.6	Confident	65 Å²	65	64.7 Å²	64.7	46%	0.455	38%	0.379	S	S	.	.			trans	-67.4	135.8	176.2	-165.8	0	0	0	0	110.4	T398	S396-T398 PolarHBondContact O-N 3.42Å; S396-T398 PolarHBondContact OG-N 2.96Å; S396-T398 PolarHBondContact OG-OG1 2.84Å
397	E	52.8	Low	75.5	Confident	155 Å²	155	71.2 Å²	71.2	72%	0.724	41%	0.408	S	S	*	.	S	Bend	trans	-70	-14	167.1	-66.1	-178.1	173.1	0	0	111.8
398	T	55.1	Low	75.7	Confident	84 Å²	84	70.3 Å²	70.3	52%	0.515	40%	0.395	S	S	.	.	S	Bend	trans	-89.7	153	176.9	67.9	0	0	0	0	111.6	S396	S396-T398 PolarHBondContact O-N 3.42Å; S396-T398 PolarHBondContact OG-N 2.96Å; S396-T398 PolarHBondContact OG-OG1 2.84Å
399	A	59.5	Low	76	Confident	82 Å²	82	68.5 Å²	68.5	68%	0.678	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-47.1	135.5	174.2	0	0	0	0	0	111.8	L401	A399-L401 PolarHBondContact O-N 3.17Å
400	P	67.3	Low	76.2	Confident	127 Å²	127	70.8 Å²	70.8	83%	0.825	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-59.5	129.7	-179.3	21.2	-30.1	0	0	0	110.6
401	L	80.4	Confident	76.9	Confident	51 Å²	51	73.8 Å²	73.8	27%	0.267	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-70.3	144.7	174.7	-62.8	167.9	0	0	0	109.6	A399 L405 L409 D635	A399-L401 PolarHBondContact O-N 3.17Å; L401-L405 HydrophobicContact CD2-CD2 3.75Å; L401-L409 HydrophobicContact CD1-CD1 4.34Å; L401-D635 HydrophobicContact CD1-CB 3.68Å
402	T	85.6	Confident	77.8	Confident	63 Å²	63	73 Å²	73	39%	0.387	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-61.6	145.4	172.7	60.2	0	0	0	0	110.2	E404 L405 K406 F589	T402-E404 PolarHBondContact O-N 3.06Å; T402-E404 VanDerWaalsContact O-N 3.15Å; T402-L405 PolarHBondContact O-N 3.4Å; T402-L405 VanDerWaalsContact OG1-CB 3.27Å; T402-L405 WeakPolarHBondContact OG1-CB 3.32Å; T402-L405 PolarHBondContact OG1-N 3.45Å; T402-K406 PolarHBondContact O-N 3.05Å; T402-F589 VanDerWaalsContact OG1-CZ 3.23Å; T402-F589 WeakPolarHBondContact OG1-CZ 3.47Å
403	P	85.2	Confident	78.9	Confident	112 Å²	112	71.7 Å²	71.7	73%	0.727	40%	0.397	S	S	*	.	H	α-helix	trans	-54.3	-34.1	177.9	-27.2	34.9	0	0	0	113.5	K407	P403-K407 WeakPolarHBondContact O-CB 3.32Å; P403-K407 PolarHBondContact O-N 3.09Å
404	E	89.5	Confident	80.2	Confident	133 Å²	133	71.2 Å²	71.2	62%	0.621	40%	0.397	S	S	*	.	H	α-helix	trans	-70	-46.5	178.9	-66.8	164.6	178.1	0	0	112.5	T402 K406 K407 N408 F589	T402-E404 PolarHBondContact O-N 3.06Å; T402-E404 VanDerWaalsContact O-N 3.15Å; E404-K406 VanDerWaalsContact C-N 3.3Å; E404-K406 PolarHBondContact O-N 3.06Å; E404-K407 WeakPolarHBondContact O-CB 3.5Å; E404-K407 PolarHBondContact O-N 3.11Å; E404-N408 PolarHBondContact O-N 2.95Å; E404-F589 HydrophobicContact CB-CE2 3.75Å; E404-F589 HydrophobicContact CB-CZ 4.17Å
405	L	90.4	Very high	81.7	Confident	14 Å²	14	78.6 Å²	78.6	7%	0.073	43%	0.426	C	S	.	.	H	α-helix	trans	-61.8	-42.3	175.9	175.2	56.5	0	0	0	110.9	L401 T402 K407 N408 L409 V585 R586 F589	L401-L405 HydrophobicContact CD2-CD2 3.75Å; T402-L405 PolarHBondContact O-N 3.4Å; T402-L405 VanDerWaalsContact OG1-CB 3.27Å; T402-L405 WeakPolarHBondContact OG1-CB 3.32Å; T402-L405 PolarHBondContact OG1-N 3.45Å; L405-K407 VanDerWaalsContact C-N 3.34Å; L405-K407 PolarHBondContact O-N 3.23Å; L405-N408 PolarHBondContact O-N 3.23Å; L405-L409 HydrophobicContact CD1-CD1 4.23Å; L405-L409 HydrophobicContact CD1-CG 4.21Å; L405-L409 HydrophobicContact CG-CD1 4.14Å; L405-L409 WeakPolarHBondContact O-CG 3.44Å; L405-L409 PolarHBondContact O-N 3.4Å; L405-V585 HydrophobicContact CD1-CG1 4.21Å; L405-R586 HydrophobicContact CD1-CG 4.23Å; L405-F589 HydrophobicContact CB-CD1 3.99Å; L405-F589 HydrophobicContact CB-CD2 4.05Å; L405-F589 HydrophobicContact CB-CE1 3.94Å; L405-F589 HydrophobicContact CB-CE2 4Å; L405-F589 HydrophobicContact CB-CG 4.06Å; L405-F589 HydrophobicContact CB-CZ 3.96Å; L405-F589 HydrophobicContact CD1-CB 3.77Å; L405-F589 HydrophobicContact CD1-CD1 4.12Å; L405-F589 HydrophobicContact CD1-CD2 4.26Å; L405-F589 HydrophobicContact CD1-CG 3.78Å; L405-F589 HydrophobicContact CD2-CD1 4.19Å; L405-F589 HydrophobicContact CG-CD1 4.33Å; L405-F589 HydrophobicContact CG-CG 4.37Å
406	K	89	Confident	83.3	Confident	73 Å²	73	74.2 Å²	74.2	32%	0.317	41%	0.405	S	S	.	.	H	α-helix	trans	-58.3	-44.8	175	-179.2	170.7	-177.1	-178.5	0	111.7	T402 E404 L409 H410 D635 D637	T402-K406 PolarHBondContact O-N 3.05Å; E404-K406 VanDerWaalsContact C-N 3.3Å; E404-K406 PolarHBondContact O-N 3.06Å; K406-L409 PolarHBondContact O-N 3.38Å; K406-H410 WeakPolarHBondContact O-CB 3.49Å; K406-H410 PolarHBondContact O-N 3.25Å; K406-D635 WeakPolarHBondContact CG-O 3.34Å; K406-D637 HydrophobicContact CD-CB 4.48Å; K406-D637 WeakPolarHBondContact CE-OD2 3.28Å; K406-D637 VanDerWaalsContact NZ-CG 3.3Å; K406-D637 IonicContact NZ-OD2 3.98Å; K406-D637 PolarHBondContact NZ-OD2 2.88Å
407	K	90.9	Very high	85.3	Confident	137 Å²	137	73.2 Å²	73.2	60%	0.596	39%	0.391	S	S	*	.	H	α-helix	trans	-61.7	-41.9	174.4	-175.9	-178.4	178.8	-177.4	0	112.3	P403 E404 L405 H410 N411	P403-K407 WeakPolarHBondContact O-CB 3.32Å; P403-K407 PolarHBondContact O-N 3.09Å; E404-K407 WeakPolarHBondContact O-CB 3.5Å; E404-K407 PolarHBondContact O-N 3.11Å; L405-K407 VanDerWaalsContact C-N 3.34Å; L405-K407 PolarHBondContact O-N 3.23Å; K407-H410 WeakPolarHBondContact O-CB 3.46Å; K407-H410 PolarHBondContact O-N 3.47Å; K407-N411 VanDerWaalsContact O-CG 3.26Å; K407-N411 PolarHBondContact O-N 3.06Å; K407-N411 PolarHBondContact O-ND2 3.22Å
408	N	93.9	Very high	87.4	Confident	69 Å²	69	72.7 Å²	72.7	37%	0.369	39%	0.387	S	S	.	.	H	α-helix	trans	-66.7	-41.9	178	-70.5	-8.2	0	0	0	112	E404 L405 H410 N411 A412 V585	E404-N408 PolarHBondContact O-N 2.95Å; L405-N408 PolarHBondContact O-N 3.23Å; N408-H410 VanDerWaalsContact C-N 3.31Å; N408-H410 PolarHBondContact O-N 3.23Å; N408-N411 PolarHBondContact O-N 3.48Å; N408-A412 WeakPolarHBondContact O-CB 3.35Å; N408-A412 PolarHBondContact O-N 3.31Å; N408-V585 HydrophobicContact CB-CG1 3.69Å
409	L	94	Very high	89.3	Confident	0 Å²	0	72 Å²	72	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-61.7	-40.8	174.6	-74.4	169.3	0	0	0	111.7	L401 L405 K406 L413 P582 V585 W632 D635 A636	L401-L409 HydrophobicContact CD1-CD1 4.34Å; L405-L409 HydrophobicContact CD1-CD1 4.23Å; L405-L409 HydrophobicContact CD1-CG 4.21Å; L405-L409 HydrophobicContact CG-CD1 4.14Å; L405-L409 WeakPolarHBondContact O-CG 3.44Å; L405-L409 PolarHBondContact O-N 3.4Å; K406-L409 PolarHBondContact O-N 3.38Å; L409-L413 WeakPolarHBondContact O-CB 3.33Å; L409-L413 PolarHBondContact O-N 3.41Å; L409-P582 HydrophobicContact CD2-CB 3.95Å; L409-V585 HydrophobicContact CD2-CB 3.81Å; L409-V585 HydrophobicContact CD2-CG1 3.74Å; L409-V585 HydrophobicContact CD2-CG2 4.42Å; L409-V585 HydrophobicContact CG-CG1 3.89Å; L409-W632 PolarHBondContact O-NE1 3.32Å; L409-D635 HydrophobicContact CD1-CB 3.87Å; L409-A636 HydrophobicContact CB-CB 4.39Å
410	H	93	Very high	91.1	Very high	60 Å²	60	68.2 Å²	68.2	28%	0.278	35%	0.346	S	S	.	.	H	α-helix	trans	-61.3	-50.3	173.7	179.9	99	0	0	0	112	K406 K407 N408 A412 L413 I414 A636 Y638	K406-H410 WeakPolarHBondContact O-CB 3.49Å; K406-H410 PolarHBondContact O-N 3.25Å; K407-H410 WeakPolarHBondContact O-CB 3.46Å; K407-H410 PolarHBondContact O-N 3.47Å; N408-H410 VanDerWaalsContact C-N 3.31Å; N408-H410 PolarHBondContact O-N 3.23Å; H410-A412 VanDerWaalsContact C-N 3.3Å; H410-A412 PolarHBondContact O-N 3.37Å; H410-L413 WeakPolarHBondContact O-CB 3.26Å; H410-L413 PolarHBondContact O-N 2.9Å; H410-I414 WeakPolarHBondContact O-CG1 3.34Å; H410-I414 PolarHBondContact O-N 3.21Å; H410-A636 HydrophobicContact CB-CB 4.24Å; H410-Y638 AromaticContact CE1-CD2 3.58Å
411	N	95.1	Very high	92.6	Very high	86 Å²	86	64.1 Å²	64.1	46%	0.46	32%	0.316	S	S	.	.	H	α-helix	trans	-59.8	-41.5	179.8	-71.6	-22.2	0	0	0	112.2	K407 N408 L413 I414 K415	K407-N411 VanDerWaalsContact O-CG 3.26Å; K407-N411 PolarHBondContact O-N 3.06Å; K407-N411 PolarHBondContact O-ND2 3.22Å; N408-N411 PolarHBondContact O-N 3.48Å; N411-L413 VanDerWaalsContact C-N 3.33Å; N411-I414 PolarHBondContact O-N 3.33Å; N411-K415 PolarHBondContact O-N 2.95Å
412	A	94.7	Very high	93.4	Very high	26 Å²	26	67.7 Å²	67.7	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-63.4	-39.9	174.7	0	0	0	0	0	111.8	N408 H410 K415 E416 V585 W632	N408-A412 WeakPolarHBondContact O-CB 3.35Å; N408-A412 PolarHBondContact O-N 3.31Å; H410-A412 VanDerWaalsContact C-N 3.3Å; H410-A412 PolarHBondContact O-N 3.37Å; A412-K415 WeakPolarHBondContact O-CB 3.49Å; A412-K415 PolarHBondContact O-N 3.39Å; A412-E416 PolarHBondContact O-N 3.17Å; A412-V585 HydrophobicContact CB-CG2 3.49Å; A412-V585 VanDerWaalsContact CB-CG2 3.49Å; A412-W632 HydrophobicContact CB-CZ2 3.87Å
413	L	94.8	Very high	94	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-64.6	-41.6	176.4	-174.2	60.1	0	0	0	112	L409 H410 N411 K415 E416 R417 W632 Y633 A636 Y638	L409-L413 WeakPolarHBondContact O-CB 3.33Å; L409-L413 PolarHBondContact O-N 3.41Å; H410-L413 WeakPolarHBondContact O-CB 3.26Å; H410-L413 PolarHBondContact O-N 2.9Å; N411-L413 VanDerWaalsContact C-N 3.33Å; L413-K415 VanDerWaalsContact C-N 3.3Å; L413-K415 PolarHBondContact O-N 3.35Å; L413-E416 WeakPolarHBondContact O-CB 3.48Å; L413-E416 PolarHBondContact O-N 3.17Å; L413-R417 WeakPolarHBondContact O-CG 3.3Å; L413-R417 PolarHBondContact O-N 3.37Å; L413-W632 HydrophobicContact CB-CZ2 4.18Å; L413-W632 HydrophobicContact CD1-CD2 3.96Å; L413-W632 HydrophobicContact CD1-CE3 4.22Å; L413-W632 HydrophobicContact CD1-CG 4.37Å; L413-W632 HydrophobicContact CD1-CZ2 4.35Å; L413-Y633 HydrophobicContact CD1-CD2 3.97Å; L413-Y633 HydrophobicContact CD1-CE2 3.6Å; L413-Y633 HydrophobicContact CD2-CD1 4.44Å; L413-Y633 HydrophobicContact CD2-CD2 3.83Å; L413-Y633 HydrophobicContact CD2-CE2 3.96Å; L413-Y633 HydrophobicContact CD2-CG 4.09Å; L413-Y633 HydrophobicContact CG-CE2 4.27Å; L413-A636 HydrophobicContact CD2-CB 3.92Å; L413-Y638 HydrophobicContact CD2-CD1 3.86Å; L413-Y638 HydrophobicContact CD2-CG 4.12Å
414	I	94.7	Very high	94.6	Very high	44 Å²	44	61.3 Å²	61.3	23%	0.226	29%	0.29	C	S	.	.	H	α-helix	trans	-62.3	-38.7	174.9	-64.3	-57.9	0	0	0	111.3	H410 N411 R417 K418 Y638	H410-I414 WeakPolarHBondContact O-CG1 3.34Å; H410-I414 PolarHBondContact O-N 3.21Å; N411-I414 PolarHBondContact O-N 3.33Å; I414-R417 PolarHBondContact O-N 3.12Å; I414-K418 WeakPolarHBondContact O-CG 3.46Å; I414-K418 PolarHBondContact O-N 3.44Å; I414-Y638 HydrophobicContact CD1-CD2 4.48Å; I414-Y638 HydrophobicContact CD1-CE2 4.16Å
415	K	94.9	Very high	95	Very high	166 Å²	166	57.1 Å²	57.1	72%	0.722	27%	0.271	S	S	*	.	H	α-helix	trans	-62.9	-42	173.7	-173.2	179.8	178.4	180	0	111.5	N411 A412 L413 K418 H419	N411-K415 PolarHBondContact O-N 2.95Å; A412-K415 WeakPolarHBondContact O-CB 3.49Å; A412-K415 PolarHBondContact O-N 3.39Å; L413-K415 VanDerWaalsContact C-N 3.3Å; L413-K415 PolarHBondContact O-N 3.35Å; K415-K418 PolarHBondContact O-N 3.25Å; K415-H419 PolarHBondContact O-N 3.29Å; K415-H419 VanDerWaalsContact O-N 3.15Å
416	E	95.6	Very high	95.4	Very high	10 Å²	10	60.4 Å²	60.4	5%	0.047	29%	0.292	C	S	.	.	H	α-helix	trans	-63.1	-42.3	176.1	-167.1	63.3	-166.3	0	0	111.8	A412 L413 K418 H419 W420 F577 D578 R602 W632	A412-E416 PolarHBondContact O-N 3.17Å; L413-E416 WeakPolarHBondContact O-CB 3.48Å; L413-E416 PolarHBondContact O-N 3.17Å; E416-K418 VanDerWaalsContact C-N 3.35Å; E416-K418 PolarHBondContact O-N 3.11Å; E416-H419 WeakPolarHBondContact O-CB 3.39Å; E416-H419 PolarHBondContact O-N 2.87Å; E416-H419 VanDerWaalsContact O-N 3.1Å; E416-W420 HydrophobicContact CG-CZ2 4.37Å; E416-W420 PolarHBondContact O-N 3.45Å; E416-F577 HydrophobicContact CG-CB 4.49Å; E416-F577 VanDerWaalsContact OE1-CA 3.26Å; E416-F577 WeakPolarHBondContact OE1-CA 2.97Å; E416-D578 PolarHBondContact OE1-N 3.15Å; E416-R602 IonicContact OE1-CZ 3.28Å; E416-R602 IonicContact OE1-NH1 3.3Å; E416-R602 PolarHBondContact OE1-NH1 2.97Å; E416-R602 IonicContact OE1-NH2 4Å; E416-R602 PolarHBondContact OE1-NH2 3.25Å; E416-R602 IonicContact OE2-CZ 3.41Å; E416-R602 IonicContact OE2-NH1 3.39Å; E416-R602 PolarHBondContact OE2-NH1 3Å; E416-R602 IonicContact OE2-NH2 2.65Å; E416-W632 HydrophobicContact CB-CH2 4.01Å; E416-W632 HydrophobicContact CB-CZ3 4.48Å; E416-W632 HydrophobicContact CG-CH2 4.21Å; E416-W632 HydrophobicContact CG-CZ3 4.24Å
417	R	94.7	Very high	95.8	Very high	45 Å²	45	57.2 Å²	57.2	17%	0.17	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-37.5	175.6	-70.2	175.1	71.8	-122	1.5	112.8	L413 I414 H419 W420 H421 D467 Y638	L413-R417 WeakPolarHBondContact O-CG 3.3Å; L413-R417 PolarHBondContact O-N 3.37Å; I414-R417 PolarHBondContact O-N 3.12Å; R417-H419 VanDerWaalsContact C-N 3.29Å; R417-H419 PolarHBondContact O-N 3.28Å; R417-W420 HydrophobicContact CG-CE3 4.12Å; R417-W420 HydrophobicContact CG-CZ3 4.23Å; R417-W420 WeakPolarHBondContact O-CB 3.44Å; R417-W420 PolarHBondContact O-N 2.93Å; R417-H421 PolarHBondContact O-N 3.31Å; R417-D467 IonicContact CZ-OD2 3.24Å; R417-D467 IonicContact NE-OD1 3.57Å; R417-D467 IonicContact NE-OD2 2.81Å; R417-D467 PolarHBondContact NE-OD2 3.34Å; R417-D467 IonicContact NH2-OD2 3.58Å; R417-D467 PolarHBondContact NH2-OD2 3.31Å; R417-Y638 VanDerWaalsContact NH1-CZ 3.35Å; R417-Y638 PolarHBondContact NH1-OH 3.02Å; R417-Y638 PolarHBondContact NH2-OH 3Å
418	K	96.3	Very high	96.2	Very high	144 Å²	144	50.8 Å²	50.8	63%	0.626	25%	0.252	S	S	*	.	H	α-helix	trans	-62.2	-38.5	172.8	-73.7	177.7	-179.7	-178.4	0	111.7	I414 K415 E416 H421 Q422	I414-K418 WeakPolarHBondContact O-CG 3.46Å; I414-K418 PolarHBondContact O-N 3.44Å; K415-K418 PolarHBondContact O-N 3.25Å; E416-K418 VanDerWaalsContact C-N 3.35Å; E416-K418 PolarHBondContact O-N 3.11Å; K418-H421 PolarHBondContact O-N 3.44Å; K418-Q422 PolarHBondContact O-N 3.07Å
419	H	96.1	Very high	96.4	Very high	69 Å²	69	50.5 Å²	50.5	32%	0.319	25%	0.25	S	C	.	.	H	α-helix	trans	-64.8	-45.2	174	178.1	61.6	0	0	0	111.5	K415 E416 R417 H421 Q422 V423 R602	K415-H419 PolarHBondContact O-N 3.29Å; K415-H419 VanDerWaalsContact O-N 3.15Å; E416-H419 WeakPolarHBondContact O-CB 3.39Å; E416-H419 PolarHBondContact O-N 2.87Å; E416-H419 VanDerWaalsContact O-N 3.1Å; R417-H419 VanDerWaalsContact C-N 3.29Å; R417-H419 PolarHBondContact O-N 3.28Å; H419-H421 VanDerWaalsContact C-N 3.27Å; H419-H421 PolarHBondContact O-N 3.27Å; H419-Q422 PolarHBondContact O-N 3.31Å; H419-V423 WeakPolarHBondContact O-CG2 3.41Å; H419-V423 PolarHBondContact O-N 3.24Å; H419-V423 VanDerWaalsContact O-N 3.11Å; H419-R602 PolarHBondContact CD2-NH2 2.85Å
420	W	97.5	Very high	96.6	Very high	2 Å²	2	55 Å²	55	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-55.3	-41.7	173.8	-67.3	-9.1	0	0	0	112.9	E416 R417 Q422 V423 L424 I463 I466 L575 R576 F577 L629 Y633	E416-W420 HydrophobicContact CG-CZ2 4.37Å; E416-W420 PolarHBondContact O-N 3.45Å; R417-W420 HydrophobicContact CG-CE3 4.12Å; R417-W420 HydrophobicContact CG-CZ3 4.23Å; R417-W420 WeakPolarHBondContact O-CB 3.44Å; R417-W420 PolarHBondContact O-N 2.93Å; W420-Q422 VanDerWaalsContact C-N 3.33Å; W420-Q422 PolarHBondContact O-N 2.68Å; W420-V423 PolarHBondContact O-N 3.11Å; W420-L424 WeakPolarHBondContact O-CB 3.5Å; W420-L424 WeakPolarHBondContact O-CG 3.31Å; W420-L424 PolarHBondContact O-N 3.29Å; W420-I463 HydrophobicContact CB-CD1 4.16Å; W420-I463 HydrophobicContact CB-CG1 4.32Å; W420-I466 HydrophobicContact CH2-CG2 4.42Å; W420-I466 HydrophobicContact CZ3-CG2 4.13Å; W420-L575 HydrophobicContact CB-CD1 3.63Å; W420-L575 HydrophobicContact CD2-CD1 3.52Å; W420-L575 HydrophobicContact CD2-CG 4.23Å; W420-L575 HydrophobicContact CE3-CD1 4.04Å; W420-L575 HydrophobicContact CE3-CD2 4.48Å; W420-L575 HydrophobicContact CG-CD1 3.33Å; W420-L575 HydrophobicContact CG-CG 4.42Å; W420-R576 VanDerWaalsContact CD1-O 3.29Å; W420-R576 PolarHBondContact NE1-O 2.77Å; W420-F577 HydrophobicContact CZ2-CB 3.66Å; W420-L629 HydrophobicContact CH2-CD1 4.06Å; W420-L629 HydrophobicContact CH2-CD2 3.95Å; W420-L629 HydrophobicContact CZ2-CD1 4.21Å; W420-L629 HydrophobicContact CZ2-CD2 4.24Å; W420-Y633 HydrophobicContact CH2-CE2 4.4Å; W420-Y633 WeakPolarHBondContact CZ3-OH 3.43Å
421	H	98.2	Very high	96.8	Very high	42 Å²	42	54.1 Å²	54.1	19%	0.194	27%	0.267	C	S	.	.	H	α-helix	trans	-57.9	-46.1	178.8	-178.2	100.8	0	0	0	111.4	R417 K418 H419 L425 S456 D460 I463	R417-H421 PolarHBondContact O-N 3.31Å; K418-H421 PolarHBondContact O-N 3.44Å; H419-H421 VanDerWaalsContact C-N 3.27Å; H419-H421 PolarHBondContact O-N 3.27Å; H421-L425 WeakPolarHBondContact O-CB 3.47Å; H421-L425 PolarHBondContact O-N 2.89Å; H421-S456 PolarHBondContact CE1-O 2.92Å; H421-D460 IonicContact CE1-OD1 2.84Å; H421-D460 PolarHBondContact CE1-OD1 2.68Å; H421-D460 IonicContact CE1-OD2 3.61Å; H421-D460 IonicContact ND1-OD1 3.64Å; H421-D460 PolarHBondContact ND1-OD1 3.13Å; H421-I463 HydrophobicContact CB-CD1 3.72Å
422	Q	98	Very high	96.9	Very high	125 Å²	125	51.6 Å²	51.6	58%	0.584	25%	0.253	S	S	*	.	H	α-helix	trans	-66	-43.1	179.9	-67.3	177.3	-18.2	0	0	112.6	K418 H419 W420 T426	K418-Q422 PolarHBondContact O-N 3.07Å; H419-Q422 PolarHBondContact O-N 3.31Å; W420-Q422 VanDerWaalsContact C-N 3.33Å; W420-Q422 PolarHBondContact O-N 2.68Å; Q422-T426 PolarHBondContact O-N 3.2Å; Q422-T426 VanDerWaalsContact O-N 3.11Å; Q422-T426 PolarHBondContact O-OG1 2.96Å
423	V	97.6	Very high	97	Very high	42 Å²	42	57.2 Å²	57.2	26%	0.255	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-50.8	178.4	171.9	0	0	0	0	110.5	H419 W420 L425 T426 A427 H574	H419-V423 WeakPolarHBondContact O-CG2 3.41Å; H419-V423 PolarHBondContact O-N 3.24Å; H419-V423 VanDerWaalsContact O-N 3.11Å; W420-V423 PolarHBondContact O-N 3.11Å; V423-L425 PolarHBondContact O-N 2.82Å; V423-T426 PolarHBondContact O-N 2.58Å; V423-A427 PolarHBondContact O-N 3.44Å; V423-A427 VanDerWaalsContact O-N 3.08Å; V423-H574 HydrophobicContact CG1-CB 4Å
424	L	98.2	Very high	97.1	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.2	-38.5	-179.3	-72.3	174.8	0	0	0	112.3	W420 T426 A427 F428 A459 M462 I463 L575	W420-L424 WeakPolarHBondContact O-CB 3.5Å; W420-L424 WeakPolarHBondContact O-CG 3.31Å; W420-L424 PolarHBondContact O-N 3.29Å; L424-T426 VanDerWaalsContact C-N 3.32Å; L424-T426 PolarHBondContact O-N 3.09Å; L424-A427 PolarHBondContact O-N 3.19Å; L424-F428 WeakPolarHBondContact O-CB 3.25Å; L424-F428 PolarHBondContact O-N 3.49Å; L424-A459 HydrophobicContact CB-CB 4.19Å; L424-M462 HydrophobicContact CB-CE 3.88Å; L424-M462 HydrophobicContact CD1-CB 3.96Å; L424-M462 HydrophobicContact CD1-CE 4.39Å; L424-M462 HydrophobicContact CD2-CE 4.2Å; L424-M462 HydrophobicContact CD2-SD 4.26Å; L424-M462 HydrophobicContact CG-CE 4.39Å; L424-I463 HydrophobicContact CD1-CG1 3.9Å; L424-L575 HydrophobicContact CD1-CD1 3.98Å; L424-L575 HydrophobicContact CG-CD1 4.24Å
425	L	98.4	Very high	97.1	Very high	45 Å²	45	63 Å²	63	24%	0.236	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-42.3	176	177.4	58.3	0	0	0	111.7	H421 V423 N429 A455 A459	H421-L425 WeakPolarHBondContact O-CB 3.47Å; H421-L425 PolarHBondContact O-N 2.89Å; V423-L425 PolarHBondContact O-N 2.82Å; L425-N429 PolarHBondContact O-N 3.22Å; L425-N429 VanDerWaalsContact O-N 3.12Å; L425-N429 PolarHBondContact O-ND2 3.18Å; L425-A455 VanDerWaalsContact CD1-C 3.5Å; L425-A455 HydrophobicContact CD1-CB 3.57Å; L425-A459 HydrophobicContact CB-CB 4.2Å
426	T	98.3	Very high	97.1	Very high	82 Å²	82	60.6 Å²	60.6	50%	0.503	28%	0.282	S	S	.	.	H	α-helix	trans	-64.7	-52.1	178.6	-55.6	0	0	0	0	110.5	Q422 V423 L424 F428 N429 E430	Q422-T426 PolarHBondContact O-N 3.2Å; Q422-T426 VanDerWaalsContact O-N 3.11Å; Q422-T426 PolarHBondContact O-OG1 2.96Å; V423-T426 PolarHBondContact O-N 2.58Å; L424-T426 VanDerWaalsContact C-N 3.32Å; L424-T426 PolarHBondContact O-N 3.09Å; T426-F428 VanDerWaalsContact C-N 3.33Å; T426-F428 PolarHBondContact O-N 3.43Å; T426-N429 PolarHBondContact O-N 2.89Å; T426-E430 PolarHBondContact O-N 2.94Å
427	A	98	Very high	97	Very high	7 Å²	7	65.3 Å²	65.3	6%	0.058	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-39.9	178.9	0	0	0	0	0	112.6	V423 L424 N429 E430 Q431 L570 H574	V423-A427 PolarHBondContact O-N 3.44Å; V423-A427 VanDerWaalsContact O-N 3.08Å; L424-A427 PolarHBondContact O-N 3.19Å; A427-N429 PolarHBondContact O-N 3.5Å; A427-E430 PolarHBondContact O-N 3.3Å; A427-Q431 WeakPolarHBondContact O-CB 3.32Å; A427-Q431 PolarHBondContact O-N 3.19Å; A427-L570 HydrophobicContact CB-CD2 3.94Å; A427-H574 HydrophobicContact CB-CB 4.43Å; A427-H574 VanDerWaalsContact CB-CD2 3.45Å; A427-H574 WeakPolarHBondContact CB-CD2 3.27Å
428	F	98.4	Very high	96.8	Very high	2 Å²	2	66.7 Å²	66.7	1%	0.009	32%	0.317	C	S	.	.	H	α-helix	trans	-60.6	-45.7	176	177.3	-95.2	0	0	0	112.2	L424 T426 E430 Q431 L432 L450 A455 Y458 M462 L567 L570	L424-F428 WeakPolarHBondContact O-CB 3.25Å; L424-F428 PolarHBondContact O-N 3.49Å; T426-F428 VanDerWaalsContact C-N 3.33Å; T426-F428 PolarHBondContact O-N 3.43Å; F428-E430 VanDerWaalsContact C-N 3.31Å; F428-E430 PolarHBondContact O-N 3.5Å; F428-Q431 PolarHBondContact O-N 2.94Å; F428-L432 HydrophobicContact CE1-CD2 4.1Å; F428-L432 WeakPolarHBondContact O-CB 3.36Å; F428-L432 PolarHBondContact O-N 2.87Å; F428-L450 HydrophobicContact CE2-CB 4.3Å; F428-L450 HydrophobicContact CE2-CD1 4.31Å; F428-L450 HydrophobicContact CE2-CD2 4.14Å; F428-L450 HydrophobicContact CE2-CG 4.48Å; F428-L450 HydrophobicContact CZ-CB 4.1Å; F428-A455 HydrophobicContact CD1-CB 3.84Å; F428-A455 HydrophobicContact CE1-CB 3.89Å; F428-Y458 HydrophobicContact CD2-CG 4.41Å; F428-Y458 AromaticContact CE1-CD2 3.62Å; F428-Y458 HydrophobicContact CE1-CD2 3.62Å; F428-Y458 HydrophobicContact CE1-CE2 4.24Å; F428-Y458 HydrophobicContact CE1-CG 4.14Å; F428-Y458 HydrophobicContact CE2-CD1 4.09Å; F428-Y458 AromaticContact CE2-CD2 3.92Å; F428-Y458 HydrophobicContact CE2-CD2 3.92Å; F428-Y458 AromaticContact CE2-CG 3.64Å; F428-Y458 HydrophobicContact CE2-CG 3.64Å; F428-Y458 HydrophobicContact CZ-CD1 4.14Å; F428-Y458 AromaticContact CZ-CD2 3.22Å; F428-Y458 HydrophobicContact CZ-CD2 3.22Å; F428-Y458 AromaticContact CZ-CE2 3.7Å; F428-Y458 HydrophobicContact CZ-CE2 3.7Å; F428-Y458 AromaticContact CZ-CG 3.48Å; F428-Y458 HydrophobicContact CZ-CG 3.48Å; F428-Y458 VanDerWaalsContact CZ-CG 3.48Å; F428-M462 HydrophobicContact CB-CE 4.5Å; F428-L567 HydrophobicContact CD2-CD2 4.05Å; F428-L567 HydrophobicContact CE2-CD2 3.99Å; F428-L570 HydrophobicContact CB-CD1 4.08Å; F428-L570 HydrophobicContact CD2-CD1 3.94Å
429	N	98.3	Very high	96.5	Very high	62 Å²	62	60 Å²	60	33%	0.332	29%	0.288	S	S	.	.	H	α-helix	trans	-63.1	-37.5	179.3	-79.2	-52.1	0	0	0	112.4	L425 T426 A427 K433 A455	L425-N429 PolarHBondContact O-N 3.22Å; L425-N429 VanDerWaalsContact O-N 3.12Å; L425-N429 PolarHBondContact O-ND2 3.18Å; T426-N429 PolarHBondContact O-N 2.89Å; A427-N429 PolarHBondContact O-N 3.5Å; N429-K433 WeakPolarHBondContact O-CG 3.48Å; N429-K433 PolarHBondContact O-N 3.44Å; N429-A455 WeakPolarHBondContact OD1-CB 3.49Å
430	E	97.7	Very high	96.2	Very high	96 Å²	96	59.2 Å²	59.2	45%	0.449	29%	0.293	S	S	.	.	H	α-helix	trans	-65	-45.6	173.8	-68.7	-178.3	-177.1	0	0	111.8	T426 A427 F428 L432 K433 R434	T426-E430 PolarHBondContact O-N 2.94Å; A427-E430 PolarHBondContact O-N 3.3Å; F428-E430 VanDerWaalsContact C-N 3.31Å; F428-E430 PolarHBondContact O-N 3.5Å; E430-L432 VanDerWaalsContact C-N 3.34Å; E430-L432 PolarHBondContact O-N 3.45Å; E430-K433 WeakPolarHBondContact O-CB 3.28Å; E430-K433 PolarHBondContact O-N 2.98Å; E430-R434 PolarHBondContact O-N 3.13Å; E430-R434 VanDerWaalsContact O-N 3.12Å
431	Q	97.3	Very high	95.6	Very high	41 Å²	41	66.8 Å²	66.8	19%	0.192	33%	0.326	C	S	.	.	H	α-helix	trans	-65.7	-37.4	178.8	-175.3	62.4	-11.3	0	0	112.3	A427 F428 K433 R434 L435 V566 L570	A427-Q431 WeakPolarHBondContact O-CB 3.32Å; A427-Q431 PolarHBondContact O-N 3.19Å; F428-Q431 PolarHBondContact O-N 2.94Å; Q431-K433 VanDerWaalsContact C-N 3.31Å; Q431-K433 PolarHBondContact O-N 3.18Å; Q431-R434 PolarHBondContact O-N 2.93Å; Q431-L435 HydrophobicContact CG-CD1 4.37Å; Q431-L435 WeakPolarHBondContact O-CG 3.28Å; Q431-L435 PolarHBondContact O-N 3.03Å; Q431-V566 HydrophobicContact CG-CG1 3.83Å; Q431-L570 HydrophobicContact CB-CD1 4.47Å; Q431-L570 HydrophobicContact CB-CD2 4.04Å; Q431-L570 HydrophobicContact CG-CD2 4.4Å
432	L	97.3	Very high	94.6	Very high	32 Å²	32	66 Å²	66	17%	0.168	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-38.8	175.2	-170.8	67.1	0	0	0	111.7	F428 E430 L435 K436 Y447 L450	F428-L432 HydrophobicContact CE1-CD2 4.1Å; F428-L432 WeakPolarHBondContact O-CB 3.36Å; F428-L432 PolarHBondContact O-N 2.87Å; E430-L432 VanDerWaalsContact C-N 3.34Å; E430-L432 PolarHBondContact O-N 3.45Å; L432-L435 PolarHBondContact O-N 3.07Å; L432-K436 PolarHBondContact O-N 2.82Å; L432-Y447 HydrophobicContact CD1-CD2 3.7Å; L432-Y447 HydrophobicContact CD1-CE2 3.84Å; L432-Y447 HydrophobicContact CG-CD2 4.29Å; L432-Y447 HydrophobicContact CG-CE2 4.03Å; L432-L450 HydrophobicContact CD1-CB 3.8Å
433	K	96.9	Very high	93.9	Very high	144 Å²	144	66.4 Å²	66.4	63%	0.626	33%	0.329	S	S	*	.	H	α-helix	trans	-63.5	-44	173.5	-70.7	170.9	-175.3	175.2	0	111.7	N429 E430 Q431 K436 I437	N429-K433 WeakPolarHBondContact O-CG 3.48Å; N429-K433 PolarHBondContact O-N 3.44Å; E430-K433 WeakPolarHBondContact O-CB 3.28Å; E430-K433 PolarHBondContact O-N 2.98Å; Q431-K433 VanDerWaalsContact C-N 3.31Å; Q431-K433 PolarHBondContact O-N 3.18Å; K433-K436 WeakPolarHBondContact O-CB 3.33Å; K433-K436 PolarHBondContact O-N 2.81Å; K433-I437 WeakPolarHBondContact O-CG1 3.46Å; K433-I437 PolarHBondContact O-N 2.99Å
434	R	95.9	Very high	93.3	Very high	151 Å²	151	66.6 Å²	66.6	57%	0.57	33%	0.328	S	S	*	.	H	α-helix	trans	-60.9	-46.8	176.8	-68.4	175.7	-178.9	173	2.5	111.4	E430 Q431 K436 I437 I438	E430-R434 PolarHBondContact O-N 3.13Å; E430-R434 VanDerWaalsContact O-N 3.12Å; Q431-R434 PolarHBondContact O-N 2.93Å; R434-K436 VanDerWaalsContact C-N 3.32Å; R434-K436 PolarHBondContact O-N 3.5Å; R434-I437 PolarHBondContact O-N 2.67Å; R434-I438 PolarHBondContact O-N 3.33Å
435	L	95	Very high	92.9	Very high	17 Å²	17	67.1 Å²	67.1	9%	0.089	33%	0.332	C	S	.	.	H	α-helix	trans	-62.1	-37.8	177.5	-72.3	174.2	0	0	0	112.3	Q431 L432 I437 I438 H439 A446 Y447 L450 V566	Q431-L435 HydrophobicContact CG-CD1 4.37Å; Q431-L435 WeakPolarHBondContact O-CG 3.28Å; Q431-L435 PolarHBondContact O-N 3.03Å; L432-L435 PolarHBondContact O-N 3.07Å; L435-I437 PolarHBondContact O-N 2.77Å; L435-I438 PolarHBondContact O-N 2.85Å; L435-H439 WeakPolarHBondContact O-CB 3.34Å; L435-H439 PolarHBondContact O-N 3.34Å; L435-A446 HydrophobicContact CD1-CB 4.36Å; L435-Y447 HydrophobicContact CB-CD2 4.22Å; L435-L450 HydrophobicContact CD1-CD1 3.83Å; L435-V566 HydrophobicContact CD1-CG1 4.04Å; L435-V566 HydrophobicContact CD1-CG2 4.39Å
436	K	94.8	Very high	92.8	Very high	114 Å²	114	65.1 Å²	65.1	50%	0.496	32%	0.322	S	S	.	.	H	α-helix	trans	-57	-46.7	174.8	-170.8	178.7	-174.3	-177.6	0	112.3	L432 K433 R434 I438 H439 A440 Y447	L432-K436 PolarHBondContact O-N 2.82Å; K433-K436 WeakPolarHBondContact O-CB 3.33Å; K433-K436 PolarHBondContact O-N 2.81Å; R434-K436 VanDerWaalsContact C-N 3.32Å; R434-K436 PolarHBondContact O-N 3.5Å; K436-I438 VanDerWaalsContact C-N 3.31Å; K436-I438 PolarHBondContact O-N 2.64Å; K436-H439 PolarHBondContact O-N 2.93Å; K436-A440 WeakPolarHBondContact O-CB 3.4Å; K436-A440 PolarHBondContact O-N 2.93Å; K436-Y447 HydrophobicContact CB-CD2 3.86Å; K436-Y447 HydrophobicContact CB-CE1 4.37Å; K436-Y447 HydrophobicContact CB-CE2 3.43Å; K436-Y447 VanDerWaalsContact CB-CE2 3.43Å; K436-Y447 HydrophobicContact CD-CE2 4.29Å; K436-Y447 VanDerWaalsContact CD-OH 3.32Å; K436-Y447 WeakPolarHBondContact CD-OH 3.32Å; K436-Y447 HydrophobicContact CG-CE1 4.04Å; K436-Y447 HydrophobicContact CG-CE2 3.83Å; K436-Y447 WeakPolarHBondContact CG-OH 3.23Å
437	I	93.9	Very high	92.7	Very high	110 Å²	110	61.7 Å²	61.7	56%	0.564	30%	0.299	S	S	*	.	H	α-helix	trans	-62.2	-41.3	-179.1	-64.8	166.4	0	0	0	110.5	K433 R434 L435	K433-I437 WeakPolarHBondContact O-CG1 3.46Å; K433-I437 PolarHBondContact O-N 2.99Å; R434-I437 PolarHBondContact O-N 2.67Å; L435-I437 PolarHBondContact O-N 2.77Å
438	I	90.6	Very high	92.6	Very high	73 Å²	73	61.3 Å²	61.3	37%	0.374	30%	0.297	S	S	.	.	H	α-helix	trans	-69.3	-42	177.8	-59.8	169.3	0	0	0	110.6	R434 L435 K436 A440 K441 K443 T445	R434-I438 PolarHBondContact O-N 3.33Å; L435-I438 PolarHBondContact O-N 2.85Å; K436-I438 VanDerWaalsContact C-N 3.31Å; K436-I438 PolarHBondContact O-N 2.64Å; I438-A440 PolarHBondContact O-N 2.82Å; I438-K441 WeakPolarHBondContact O-CB 3.5Å; I438-K441 PolarHBondContact O-N 3.44Å; I438-K443 HydrophobicContact CG2-CB 4.3Å; I438-K443 HydrophobicContact CG2-CD 4.11Å; I438-T445 HydrophobicContact CB-CG2 4.19Å; I438-T445 HydrophobicContact CG2-CG2 3.68Å
439	H	90.8	Very high	92.5	Very high	5 Å²	5	61.2 Å²	61.2	2%	0.023	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-40.4	179.4	-170.7	56.2	0	0	0	112.5	E153 L435 K436 K441 G442 K443 T445 Y447	E153-H439 IonicContact OE2-CD2 2.74Å; L435-H439 WeakPolarHBondContact O-CB 3.34Å; L435-H439 PolarHBondContact O-N 3.34Å; K436-H439 PolarHBondContact O-N 2.93Å; H439-K441 PolarHBondContact O-N 3.46Å; H439-K441 VanDerWaalsContact O-N 3.08Å; H439-G442 PolarHBondContact O-N 3.01Å; H439-K443 PolarHBondContact ND1-O 2.6Å; H439-T445 HydrophobicContact CB-CG2 4.42Å; H439-Y447 HydrophobicContact CB-CD1 4.06Å; H439-Y447 HydrophobicContact CB-CG 4.23Å; H439-Y447 AromaticContact CD2-CD1 3.55Å; H439-Y447 AromaticContact CG-CD1 3.94Å
440	A	89	Confident	92.5	Very high	52 Å²	52	58.4 Å²	58.4	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-59.8	-21.2	177.6	0	0	0	0	0	113.6	K436 I438 G442	K436-A440 WeakPolarHBondContact O-CB 3.4Å; K436-A440 PolarHBondContact O-N 2.93Å; I438-A440 PolarHBondContact O-N 2.82Å; A440-G442 PolarHBondContact O-N 3.36Å
441	K	85.1	Confident	92.4	Very high	160 Å²	160	57.4 Å²	57.4	70%	0.696	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	10.1	173.7	-60.3	179	-179.1	-176.1	0	113.5	I438 H439	I438-K441 WeakPolarHBondContact O-CB 3.5Å; I438-K441 PolarHBondContact O-N 3.44Å; H439-K441 PolarHBondContact O-N 3.46Å; H439-K441 VanDerWaalsContact O-N 3.08Å
442	G	78.2	Confident	92.3	Very high	26 Å²	26	56 Å²	56	27%	0.268	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	14.9	178.9	0	0	0	0	0	114.6	H439 A440	H439-G442 PolarHBondContact O-N 3.01Å; A440-G442 PolarHBondContact O-N 3.36Å
443	K	81.5	Confident	92.3	Very high	134 Å²	134	55 Å²	55	58%	0.583	26%	0.264	S	S	*	.			trans	-90.8	139.2	176.3	-66.1	-173.4	178.5	-175.1	0	110.9	I438 H439 T445	I438-K443 HydrophobicContact CG2-CB 4.3Å; I438-K443 HydrophobicContact CG2-CD 4.11Å; H439-K443 PolarHBondContact ND1-O 2.6Å; K443-T445 HydrophobicContact CB-CG2 4.35Å; K443-T445 PolarHBondContact O-N 3.09Å
444	L	84.9	Confident	92.3	Very high	45 Å²	45	50.6 Å²	50.6	24%	0.236	25%	0.25	C	C	.	.			trans	-69.5	122.1	167.6	-65.2	-175.2	0	0	0	109.2	F144 F160	F144-L444 HydrophobicContact CB-CD2 4.44Å; F144-L444 HydrophobicContact CD1-CB 4.31Å; F144-L444 HydrophobicContact CD1-CD2 3.71Å; F144-L444 HydrophobicContact CD1-CG 4.39Å; F144-L444 HydrophobicContact CD2-CD1 3.96Å; F144-L444 HydrophobicContact CD2-CD2 4.45Å; F144-L444 HydrophobicContact CE1-CB 3.69Å; F144-L444 HydrophobicContact CE1-CD1 4.44Å; F144-L444 HydrophobicContact CE1-CD2 4Å; F144-L444 HydrophobicContact CE1-CG 4.25Å; F144-L444 HydrophobicContact CE2-CB 4.35Å; F144-L444 HydrophobicContact CE2-CD1 3.95Å; F144-L444 HydrophobicContact CG-CD1 4.3Å; F144-L444 HydrophobicContact CG-CD2 3.96Å; F144-L444 HydrophobicContact CZ-CB 3.76Å; F144-L444 HydrophobicContact CZ-CD1 4.2Å; F144-L444 HydrophobicContact CZ-CG 4.4Å; F160-L444 HydrophobicContact CD1-CD1 4.2Å; F160-L444 HydrophobicContact CD1-CD2 4.05Å; F160-L444 HydrophobicContact CD1-CG 4.24Å; F160-L444 HydrophobicContact CD2-CD1 4.43Å; F160-L444 HydrophobicContact CD2-CD2 4.26Å; F160-L444 HydrophobicContact CD2-CG 3.93Å; F160-L444 HydrophobicContact CE1-CD1 3.63Å; F160-L444 HydrophobicContact CE1-CD2 4.33Å; F160-L444 HydrophobicContact CE1-CG 4.1Å; F160-L444 HydrophobicContact CE2-CD1 3.88Å; F160-L444 HydrophobicContact CE2-CG 3.78Å; F160-L444 HydrophobicContact CG-CD2 4.01Å; F160-L444 HydrophobicContact CG-CG 4.16Å; F160-L444 HydrophobicContact CZ-CD1 3.45Å; F160-L444 VanDerWaalsContact CZ-CD1 3.45Å; F160-L444 HydrophobicContact CZ-CG 3.88Å
445	T	91.5	Very high	92.3	Very high	12 Å²	12	44.6 Å²	44.6	7%	0.074	23%	0.233	C	C	.	.			trans	-137.7	173.5	-179.5	69.7	0	0	0	0	109.9	F144 I438 H439 K443 Y447 P448	F144-T445 WeakPolarHBondContact CE1-O 3.49Å; I438-T445 HydrophobicContact CB-CG2 4.19Å; I438-T445 HydrophobicContact CG2-CG2 3.68Å; H439-T445 HydrophobicContact CB-CG2 4.42Å; K443-T445 HydrophobicContact CB-CG2 4.35Å; K443-T445 PolarHBondContact O-N 3.09Å; T445-Y447 PolarHBondContact O-N 2.73Å; T445-Y447 VanDerWaalsContact OG1-CB 3.23Å; T445-Y447 WeakPolarHBondContact OG1-CB 3.19Å; T445-Y447 PolarHBondContact OG1-N 3.34Å; T445-P448 WeakPolarHBondContact O-CD 3.37Å
446	A	94.5	Very high	92.4	Very high	2 Å²	2	46 Å²	46	2%	0.017	24%	0.243	C	C	.	.	S	Bend	trans	-68	-10.1	172.3	0	0	0	0	0	113.9	L435 F449 L450 M562 V566	L435-A446 HydrophobicContact CD1-CB 4.36Å; A446-F449 WeakPolarHBondContact O-CB 3.39Å; A446-F449 PolarHBondContact O-N 3.06Å; A446-F449 VanDerWaalsContact O-N 3.1Å; A446-L450 HydrophobicContact CB-CD1 3.98Å; A446-L450 HydrophobicContact CB-CG 4.31Å; A446-L450 PolarHBondContact O-N 2.61Å; A446-M562 HydrophobicContact CB-CG 4.26Å; A446-M562 HydrophobicContact CB-SD 4.41Å; A446-V566 HydrophobicContact CB-CG2 4.04Å
447	Y	97.1	Very high	92.5	Very high	10 Å²	10	43.5 Å²	43.5	4%	0.039	24%	0.236	C	C	.	.	H	α-helix	trans	-49	-55.5	-175.3	-179.1	-107.9	0	0	0	115.3	E153 L432 L435 K436 H439 T445 F449 L450 K451	E153-Y447 HydrophobicContact CG-CD1 4.35Å; E153-Y447 HydrophobicContact CG-CE1 4.05Å; L432-Y447 HydrophobicContact CD1-CD2 3.7Å; L432-Y447 HydrophobicContact CD1-CE2 3.84Å; L432-Y447 HydrophobicContact CG-CD2 4.29Å; L432-Y447 HydrophobicContact CG-CE2 4.03Å; L435-Y447 HydrophobicContact CB-CD2 4.22Å; K436-Y447 HydrophobicContact CB-CD2 3.86Å; K436-Y447 HydrophobicContact CB-CE1 4.37Å; K436-Y447 HydrophobicContact CB-CE2 3.43Å; K436-Y447 VanDerWaalsContact CB-CE2 3.43Å; K436-Y447 HydrophobicContact CD-CE2 4.29Å; K436-Y447 VanDerWaalsContact CD-OH 3.32Å; K436-Y447 WeakPolarHBondContact CD-OH 3.32Å; K436-Y447 HydrophobicContact CG-CE1 4.04Å; K436-Y447 HydrophobicContact CG-CE2 3.83Å; K436-Y447 WeakPolarHBondContact CG-OH 3.23Å; H439-Y447 HydrophobicContact CB-CD1 4.06Å; H439-Y447 HydrophobicContact CB-CG 4.23Å; H439-Y447 AromaticContact CD2-CD1 3.55Å; H439-Y447 AromaticContact CG-CD1 3.94Å; T445-Y447 PolarHBondContact O-N 2.73Å; T445-Y447 VanDerWaalsContact OG1-CB 3.23Å; T445-Y447 WeakPolarHBondContact OG1-CB 3.19Å; T445-Y447 PolarHBondContact OG1-N 3.34Å; Y447-F449 PolarHBondContact O-N 2.73Å; Y447-L450 PolarHBondContact O-N 3.04Å; Y447-L450 VanDerWaalsContact O-N 3.15Å; Y447-K451 HydrophobicContact CE1-CD 3.85Å; Y447-K451 HydrophobicContact CE2-CD 4.45Å; Y447-K451 WeakPolarHBondContact O-CB 3.44Å; Y447-K451 PolarHBondContact O-N 3.38Å; Y447-K451 VanDerWaalsContact O-N 3.08Å; Y447-K451 WeakPolarHBondContact OH-CD 3.5Å
448	P	95.8	Very high	92.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.3	-28.3	-178.6	22.4	-34.9	0	0	0	113.3	F144 S151 T445 I452	F144-P448 HydrophobicContact CD1-CG 4.42Å; S151-P448 WeakPolarHBondContact CB-O 3.4Å; S151-P448 WeakPolarHBondContact OG-CB 3.42Å; T445-P448 WeakPolarHBondContact O-CD 3.37Å; P448-I452 WeakPolarHBondContact O-CG1 3.34Å
449	F	96.8	Very high	93	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-78	-39.4	177.1	-55.7	-91.7	0	0	0	112	F144 S147 A446 Y447 K451 Y458 W555 I559 I563	F144-F449 AromaticContact CD1-CE2 3.51Å; F144-F449 HydrophobicContact CD1-CE2 3.51Å; F144-F449 AromaticContact CD1-CZ 3.79Å; F144-F449 HydrophobicContact CD1-CZ 3.79Å; F144-F449 HydrophobicContact CD2-CZ 4.44Å; F144-F449 AromaticContact CE1-CE2 3.44Å; F144-F449 HydrophobicContact CE1-CE2 3.44Å; F144-F449 VanDerWaalsContact CE1-CE2 3.44Å; F144-F449 HydrophobicContact CE1-CZ 4.05Å; F144-F449 HydrophobicContact CG-CE2 4.2Å; F144-F449 HydrophobicContact CG-CZ 4.01Å; F144-F449 AromaticContact CZ-CE2 4Å; F144-F449 HydrophobicContact CZ-CE2 4Å; F144-F449 HydrophobicContact CZ-CZ 4.4Å; S147-F449 WeakPolarHBondContact OG-CD1 3.47Å; S147-F449 WeakPolarHBondContact OG-CE1 3.35Å; A446-F449 WeakPolarHBondContact O-CB 3.39Å; A446-F449 PolarHBondContact O-N 3.06Å; A446-F449 VanDerWaalsContact O-N 3.1Å; Y447-F449 PolarHBondContact O-N 2.73Å; F449-K451 PolarHBondContact O-N 3.06Å; F449-Y458 PolarHBondContact O-OH 3.04Å; F449-W555 HydrophobicContact CB-CH2 4.34Å; F449-W555 AromaticContact CD1-CD2 3.86Å; F449-W555 HydrophobicContact CD1-CD2 3.86Å; F449-W555 AromaticContact CD1-CE2 3.55Å; F449-W555 HydrophobicContact CD1-CE3 4.14Å; F449-W555 AromaticContact CD1-CH2 3.89Å; F449-W555 HydrophobicContact CD1-CH2 3.89Å; F449-W555 AromaticContact CD1-CZ2 3.58Å; F449-W555 HydrophobicContact CD1-CZ2 3.58Å; F449-W555 HydrophobicContact CD1-CZ3 4.16Å; F449-W555 HydrophobicContact CE1-CD2 4.03Å; F449-W555 AromaticContact CE1-CE2 3.78Å; F449-W555 HydrophobicContact CE1-CG 4.23Å; F449-W555 HydrophobicContact CE1-CZ2 4.25Å; F449-W555 AromaticContact CE1-NE1 3.76Å; F449-I559 HydrophobicContact CD1-CG2 3.91Å; F449-I559 HydrophobicContact CD2-CG2 4.49Å; F449-I559 HydrophobicContact CE1-CD1 4.33Å; F449-I559 HydrophobicContact CE1-CG2 3.42Å; F449-I559 VanDerWaalsContact CE1-CG2 3.42Å; F449-I559 HydrophobicContact CE2-CG2 4.05Å; F449-I559 HydrophobicContact CG-CG2 4.45Å; F449-I559 HydrophobicContact CZ-CD1 3.88Å; F449-I559 HydrophobicContact CZ-CG1 4.49Å; F449-I559 HydrophobicContact CZ-CG2 3.52Å; F449-I563 HydrophobicContact CB-CD1 3.56Å; F449-I563 HydrophobicContact CB-CG1 3.88Å; F449-I563 HydrophobicContact CD1-CD1 3.71Å; F449-I563 HydrophobicContact CD2-CD1 4.35Å; F449-I563 HydrophobicContact CD2-CG1 4.46Å; F449-I563 HydrophobicContact CG-CD1 3.62Å; F449-I563 HydrophobicContact CG-CG1 4.1Å
450	L	97.6	Very high	93.2	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-80.2	-2.3	-179.6	-64.9	-179.5	0	0	0	113.6	F428 L432 L435 A446 Y447 Y458 I563 V566 L567	F428-L450 HydrophobicContact CE2-CB 4.3Å; F428-L450 HydrophobicContact CE2-CD1 4.31Å; F428-L450 HydrophobicContact CE2-CD2 4.14Å; F428-L450 HydrophobicContact CE2-CG 4.48Å; F428-L450 HydrophobicContact CZ-CB 4.1Å; L432-L450 HydrophobicContact CD1-CB 3.8Å; L435-L450 HydrophobicContact CD1-CD1 3.83Å; A446-L450 HydrophobicContact CB-CD1 3.98Å; A446-L450 HydrophobicContact CB-CG 4.31Å; A446-L450 PolarHBondContact O-N 2.61Å; Y447-L450 PolarHBondContact O-N 3.04Å; Y447-L450 VanDerWaalsContact O-N 3.15Å; L450-Y458 VanDerWaalsContact C-OH 3.26Å; L450-Y458 VanDerWaalsContact CA-OH 3.3Å; L450-Y458 WeakPolarHBondContact CA-OH 3.36Å; L450-Y458 HydrophobicContact CD2-CD1 3.84Å; L450-Y458 HydrophobicContact CD2-CE1 3.51Å; L450-Y458 WeakPolarHBondContact O-CE2 3.15Å; L450-Y458 PolarHBondContact O-OH 3.32Å; L450-I563 HydrophobicContact CD2-CG2 3.91Å; L450-V566 HydrophobicContact CD1-CB 4.2Å; L450-V566 HydrophobicContact CD1-CG1 3.67Å; L450-L567 HydrophobicContact CD2-CD2 4.2Å
451	K	96.3	Very high	93.5	Very high	76 Å²	76	36.4 Å²	36.4	33%	0.33	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-12.1	175.7	-177.4	171.4	175.9	-152.7	0	113.5	S151 E153 Y447 F449	S151-K451 VanDerWaalsContact O-CE 3.31Å; S151-K451 WeakPolarHBondContact O-CE 3.28Å; S151-K451 PolarHBondContact O-NZ 3.11Å; E153-K451 IonicContact OE1-NZ 3.63Å; E153-K451 PolarHBondContact OE1-NZ 3.18Å; Y447-K451 HydrophobicContact CE1-CD 3.85Å; Y447-K451 HydrophobicContact CE2-CD 4.45Å; Y447-K451 WeakPolarHBondContact O-CB 3.44Å; Y447-K451 PolarHBondContact O-N 3.38Å; Y447-K451 VanDerWaalsContact O-N 3.08Å; Y447-K451 WeakPolarHBondContact OH-CD 3.5Å; F449-K451 PolarHBondContact O-N 3.06Å
452	I	95.7	Very high	94	Very high	11 Å²	11	28.8 Å²	28.8	6%	0.056	16%	0.16	C	C	.	.	S	Bend	trans	-68.9	-46	-172.9	-62.1	174.7	0	0	0	111.4	A150 P448 C495 Y498 R499 W555	A150-I452 HydrophobicContact CB-CD1 4.12Å; A150-I452 HydrophobicContact CB-CG1 4.06Å; P448-I452 WeakPolarHBondContact O-CG1 3.34Å; I452-C495 HydrophobicContact CD1-CB 4.45Å; I452-C495 HydrophobicContact CG2-CB 4.05Å; I452-Y498 HydrophobicContact CG2-CD1 4.31Å; I452-Y498 VanDerWaalsContact O-CE1 3.22Å; I452-Y498 WeakPolarHBondContact O-CE1 3.38Å; I452-R499 HydrophobicContact CG2-CG 4.05Å; I452-W555 HydrophobicContact CD1-CH2 4.46Å; I452-W555 HydrophobicContact CD1-CZ2 4.1Å
453	L	96.2	Very high	94.8	Very high	11 Å²	11	27.9 Å²	27.9	6%	0.058	15%	0.149	C	C	.	.	S	Bend	trans	-92.7	158.8	-179.4	-58.6	171.4	0	0	0	111.4	N457 Y458 L461 A494 Y498	L453-N457 HydrophobicContact CB-CB 4.19Å; L453-N457 HydrophobicContact CD1-CB 4.43Å; L453-Y458 HydrophobicContact CB-CD2 4.25Å; L453-Y458 HydrophobicContact CB-CE2 3.55Å; L453-Y458 HydrophobicContact CD1-CE1 4.29Å; L453-Y458 HydrophobicContact CG-CE2 4.45Å; L453-Y458 PolarHBondContact N-OH 2.85Å; L453-Y458 WeakPolarHBondContact O-CE2 3.39Å; L453-L461 HydrophobicContact CD1-CD1 4.23Å; L453-A494 HydrophobicContact CD1-CB 3.64Å; L453-Y498 HydrophobicContact CD2-CD1 3.98Å; L453-Y498 HydrophobicContact CD2-CD2 3.93Å; L453-Y498 HydrophobicContact CD2-CG 3.49Å; L453-Y498 VanDerWaalsContact CD2-CG 3.49Å
454	P	96.1	Very high	95.2	Very high	52 Å²	52	23.3 Å²	23.3	34%	0.338	13%	0.132	S	C	.	.			trans	-57.3	144.7	164	-19.8	32.1	0	0	0	111.2	S456 N457 Y498	P454-S456 PolarHBondContact O-N 3.13Å; P454-N457 WeakPolarHBondContact CB-OD1 3.3Å; P454-N457 WeakPolarHBondContact O-CB 3.47Å; P454-N457 PolarHBondContact O-N 3.03Å; P454-Y498 HydrophobicContact CG-CE2 4.17Å
455	A	97	Very high	95.5	Very high	25 Å²	25	21.5 Å²	21.5	21%	0.207	12%	0.124	C	C	.	.	H	α-helix	trans	-56.5	-35.1	-176.5	0	0	0	0	0	113.5	L425 F428 N429 N457 Y458 A459	L425-A455 VanDerWaalsContact CD1-C 3.5Å; L425-A455 HydrophobicContact CD1-CB 3.57Å; F428-A455 HydrophobicContact CD1-CB 3.84Å; F428-A455 HydrophobicContact CE1-CB 3.89Å; N429-A455 WeakPolarHBondContact OD1-CB 3.49Å; A455-N457 VanDerWaalsContact C-N 3.3Å; A455-N457 PolarHBondContact O-N 2.78Å; A455-Y458 PolarHBondContact O-N 2.82Å; A455-A459 PolarHBondContact O-N 3.14Å
456	S	96.8	Very high	95.4	Very high	45 Å²	45	21 Å²	21	32%	0.315	12%	0.121	S	C	.	.	H	α-helix	trans	-58.2	-39.4	176.7	51.8	0	0	0	0	112.7	H421 P454 Y458 A459 D460	H421-S456 PolarHBondContact CE1-O 2.92Å; P454-S456 PolarHBondContact O-N 3.13Å; S456-Y458 VanDerWaalsContact C-N 3.3Å; S456-Y458 PolarHBondContact O-N 3Å; S456-A459 WeakPolarHBondContact O-CB 3.47Å; S456-A459 PolarHBondContact O-N 3.26Å; S456-A459 VanDerWaalsContact O-N 3.14Å; S456-D460 PolarHBondContact O-N 2.7Å; S456-D460 VanDerWaalsContact O-N 3.08Å
457	N	96.5	Very high	95.1	Very high	63 Å²	63	21.1 Å²	21.1	34%	0.337	12%	0.121	S	C	.	.	H	α-helix	trans	-64	-36.2	-179.6	-67.2	75.2	0	0	0	111.7	L453 P454 A455 A459 D460 L461	L453-N457 HydrophobicContact CB-CB 4.19Å; L453-N457 HydrophobicContact CD1-CB 4.43Å; P454-N457 WeakPolarHBondContact CB-OD1 3.3Å; P454-N457 WeakPolarHBondContact O-CB 3.47Å; P454-N457 PolarHBondContact O-N 3.03Å; A455-N457 VanDerWaalsContact C-N 3.3Å; A455-N457 PolarHBondContact O-N 2.78Å; N457-A459 VanDerWaalsContact C-N 3.33Å; N457-D460 PolarHBondContact O-N 3.13Å; N457-L461 WeakPolarHBondContact O-CB 3.34Å; N457-L461 WeakPolarHBondContact O-CG 3.5Å; N457-L461 PolarHBondContact O-N 3.48Å
458	Y	97.9	Very high	94.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.6	-36.2	175.9	-65.6	-81.3	0	0	0	112	F428 F449 L450 L453 A455 S456 L461 M462 V491 L567	F428-Y458 HydrophobicContact CD2-CG 4.41Å; F428-Y458 AromaticContact CE1-CD2 3.62Å; F428-Y458 HydrophobicContact CE1-CD2 3.62Å; F428-Y458 HydrophobicContact CE1-CE2 4.24Å; F428-Y458 HydrophobicContact CE1-CG 4.14Å; F428-Y458 HydrophobicContact CE2-CD1 4.09Å; F428-Y458 AromaticContact CE2-CD2 3.92Å; F428-Y458 HydrophobicContact CE2-CD2 3.92Å; F428-Y458 AromaticContact CE2-CG 3.64Å; F428-Y458 HydrophobicContact CE2-CG 3.64Å; F428-Y458 HydrophobicContact CZ-CD1 4.14Å; F428-Y458 AromaticContact CZ-CD2 3.22Å; F428-Y458 HydrophobicContact CZ-CD2 3.22Å; F428-Y458 AromaticContact CZ-CE2 3.7Å; F428-Y458 HydrophobicContact CZ-CE2 3.7Å; F428-Y458 AromaticContact CZ-CG 3.48Å; F428-Y458 HydrophobicContact CZ-CG 3.48Å; F428-Y458 VanDerWaalsContact CZ-CG 3.48Å; F449-Y458 PolarHBondContact O-OH 3.04Å; L450-Y458 VanDerWaalsContact C-OH 3.26Å; L450-Y458 VanDerWaalsContact CA-OH 3.3Å; L450-Y458 WeakPolarHBondContact CA-OH 3.36Å; L450-Y458 HydrophobicContact CD2-CD1 3.84Å; L450-Y458 HydrophobicContact CD2-CE1 3.51Å; L450-Y458 WeakPolarHBondContact O-CE2 3.15Å; L450-Y458 PolarHBondContact O-OH 3.32Å; L453-Y458 HydrophobicContact CB-CD2 4.25Å; L453-Y458 HydrophobicContact CB-CE2 3.55Å; L453-Y458 HydrophobicContact CD1-CE1 4.29Å; L453-Y458 HydrophobicContact CG-CE2 4.45Å; L453-Y458 PolarHBondContact N-OH 2.85Å; L453-Y458 WeakPolarHBondContact O-CE2 3.39Å; A455-Y458 PolarHBondContact O-N 2.82Å; S456-Y458 VanDerWaalsContact C-N 3.3Å; S456-Y458 PolarHBondContact O-N 3Å; Y458-L461 PolarHBondContact O-N 3.42Å; Y458-M462 WeakPolarHBondContact O-CE 3.43Å; Y458-M462 WeakPolarHBondContact O-CG 3.47Å; Y458-M462 PolarHBondContact O-N 3.39Å; Y458-V491 HydrophobicContact CD1-CG1 4.46Å; Y458-V491 HydrophobicContact CD1-CG2 4.19Å; Y458-V491 HydrophobicContact CE1-CG1 3.67Å; Y458-V491 HydrophobicContact CE1-CG2 4.2Å; Y458-L567 HydrophobicContact CD1-CD2 4.48Å
459	A	97.3	Very high	93.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.1	-44.8	173.4	0	0	0	0	0	111.5	L424 L425 A455 S456 N457 M462 I463	L424-A459 HydrophobicContact CB-CB 4.19Å; L425-A459 HydrophobicContact CB-CB 4.2Å; A455-A459 PolarHBondContact O-N 3.14Å; S456-A459 WeakPolarHBondContact O-CB 3.47Å; S456-A459 PolarHBondContact O-N 3.26Å; S456-A459 VanDerWaalsContact O-N 3.14Å; N457-A459 VanDerWaalsContact C-N 3.33Å; A459-M462 PolarHBondContact O-N 3.2Å; A459-I463 WeakPolarHBondContact O-CG1 3.34Å; A459-I463 PolarHBondContact O-N 3.41Å; A459-I463 VanDerWaalsContact O-N 3.08Å
460	D	95	Very high	92.9	Very high	72 Å²	72	23.3 Å²	23.3	39%	0.385	13%	0.133	S	C	.	.	H	α-helix	trans	-62.8	-44.4	176.1	-65.8	-36.2	0	0	0	112.1	H421 S456 N457 M462 I463 T464	H421-D460 IonicContact CE1-OD1 2.84Å; H421-D460 PolarHBondContact CE1-OD1 2.68Å; H421-D460 IonicContact CE1-OD2 3.61Å; H421-D460 IonicContact ND1-OD1 3.64Å; H421-D460 PolarHBondContact ND1-OD1 3.13Å; S456-D460 PolarHBondContact O-N 2.7Å; S456-D460 VanDerWaalsContact O-N 3.08Å; N457-D460 PolarHBondContact O-N 3.13Å; D460-M462 VanDerWaalsContact C-N 3.28Å; D460-M462 PolarHBondContact O-N 3.08Å; D460-I463 PolarHBondContact O-N 3.3Å; D460-T464 PolarHBondContact O-N 3.06Å; D460-T464 PolarHBondContact O-OG1 3.45Å; D460-T464 VanDerWaalsContact O-OG1 3.06Å
461	L	95.2	Very high	91.7	Very high	19 Å²	19	24.9 Å²	24.9	10%	0.099	14%	0.142	C	C	.	.	H	α-helix	trans	-60.8	-36.6	177.5	-70.1	172.6	0	0	0	112.5	L453 N457 Y458 G465 R490 V491 A494	L453-L461 HydrophobicContact CD1-CD1 4.23Å; N457-L461 WeakPolarHBondContact O-CB 3.34Å; N457-L461 WeakPolarHBondContact O-CG 3.5Å; N457-L461 PolarHBondContact O-N 3.48Å; Y458-L461 PolarHBondContact O-N 3.42Å; L461-G465 PolarHBondContact O-N 2.91Å; L461-R490 HydrophobicContact CD2-CB 4.28Å; L461-V491 HydrophobicContact CD1-CG2 4.07Å; L461-A494 HydrophobicContact CD1-CB 3.94Å; L461-A494 HydrophobicContact CD2-CB 4.32Å
462	M	96.8	Very high	90.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.1	-43.4	174.7	-75.6	-173.1	-71.9	0	0	111.9	L424 F428 Y458 A459 D460 G465 I466 L567 L570 I571	L424-M462 HydrophobicContact CB-CE 3.88Å; L424-M462 HydrophobicContact CD1-CB 3.96Å; L424-M462 HydrophobicContact CD1-CE 4.39Å; L424-M462 HydrophobicContact CD2-CE 4.2Å; L424-M462 HydrophobicContact CD2-SD 4.26Å; L424-M462 HydrophobicContact CG-CE 4.39Å; F428-M462 HydrophobicContact CB-CE 4.5Å; Y458-M462 WeakPolarHBondContact O-CE 3.43Å; Y458-M462 WeakPolarHBondContact O-CG 3.47Å; Y458-M462 PolarHBondContact O-N 3.39Å; A459-M462 PolarHBondContact O-N 3.2Å; D460-M462 VanDerWaalsContact C-N 3.28Å; D460-M462 PolarHBondContact O-N 3.08Å; M462-G465 WeakPolarHBondContact O-CA 3.48Å; M462-G465 PolarHBondContact O-N 3.39Å; M462-G465 VanDerWaalsContact O-N 3.12Å; M462-I466 PolarHBondContact O-N 3.36Å; M462-I466 VanDerWaalsContact O-N 3.14Å; M462-L567 HydrophobicContact CE-CD2 4.45Å; M462-L567 HydrophobicContact CG-CB 4.04Å; M462-L567 HydrophobicContact CG-CD1 4.49Å; M462-L567 HydrophobicContact CG-CD2 4.32Å; M462-L567 HydrophobicContact SD-CB 4.04Å; M462-L567 HydrophobicContact SD-CD2 3.97Å; M462-L570 HydrophobicContact CE-CD1 4.36Å; M462-L570 HydrophobicContact SD-CB 3.99Å; M462-L570 HydrophobicContact SD-CD1 4.27Å; M462-I571 HydrophobicContact CB-CD1 3.84Å; M462-I571 HydrophobicContact CB-CG1 3.89Å; M462-I571 HydrophobicContact CG-CD1 3.91Å; M462-I571 HydrophobicContact CG-CG1 3.98Å; M462-I571 HydrophobicContact SD-CD1 4.46Å; M462-I571 HydrophobicContact SD-CG1 3.94Å
463	I	94.3	Very high	88.6	Confident	7 Å²	7	26.6 Å²	26.6	4%	0.036	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-48	177.2	-68.1	169	0	0	0	110.7	W420 H421 L424 A459 D460 G465 I466 D467	W420-I463 HydrophobicContact CB-CD1 4.16Å; W420-I463 HydrophobicContact CB-CG1 4.32Å; H421-I463 HydrophobicContact CB-CD1 3.72Å; L424-I463 HydrophobicContact CD1-CG1 3.9Å; A459-I463 WeakPolarHBondContact O-CG1 3.34Å; A459-I463 PolarHBondContact O-N 3.41Å; A459-I463 VanDerWaalsContact O-N 3.08Å; D460-I463 PolarHBondContact O-N 3.3Å; I463-G465 PolarHBondContact O-N 3.31Å; I463-I466 WeakPolarHBondContact O-CB 3.32Å; I463-I466 PolarHBondContact O-N 2.84Å; I463-D467 PolarHBondContact O-N 3.07Å
464	T	90.4	Very high	86.7	Confident	37 Å²	37	27.9 Å²	27.9	23%	0.227	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-31.7	174.7	-55.6	0	0	0	0	111.3	E383 D460 I466 M468 R490	E383-T464 WeakPolarHBondContact OE2-CG2 3.49Å; D460-T464 PolarHBondContact O-N 3.06Å; D460-T464 PolarHBondContact O-OG1 3.45Å; D460-T464 VanDerWaalsContact O-OG1 3.06Å; T464-I466 VanDerWaalsContact C-N 3.34Å; T464-M468 VanDerWaalsContact O-CG 3.24Å; T464-M468 WeakPolarHBondContact O-CG 3.07Å; T464-M468 PolarHBondContact O-N 2.95Å; T464-R490 PolarHBondContact O-NH1 3.45Å
465	G	90	Very high	84.7	Confident	7 Å²	7	26.9 Å²	26.9	7%	0.072	17%	0.165	C	C	.	.	H	α-helix	trans	-51.5	-52.1	168.9	0	0	0	0	0	112.1	L461 M462 I463 M468 L469	L461-G465 PolarHBondContact O-N 2.91Å; M462-G465 WeakPolarHBondContact O-CA 3.48Å; M462-G465 PolarHBondContact O-N 3.39Å; M462-G465 VanDerWaalsContact O-N 3.12Å; I463-G465 PolarHBondContact O-N 3.31Å; G465-M468 PolarHBondContact O-N 2.93Å; G465-L469 WeakPolarHBondContact O-CG 3.18Å; G465-L469 PolarHBondContact O-N 3.08Å
466	I	89.6	Confident	82.9	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-70.4	-43.6	-179.1	-65.7	-65.8	0	0	0	112	W420 M462 I463 T464 M468 L469 I470 I571 L575 I608	W420-I466 HydrophobicContact CH2-CG2 4.42Å; W420-I466 HydrophobicContact CZ3-CG2 4.13Å; M462-I466 PolarHBondContact O-N 3.36Å; M462-I466 VanDerWaalsContact O-N 3.14Å; I463-I466 WeakPolarHBondContact O-CB 3.32Å; I463-I466 PolarHBondContact O-N 2.84Å; T464-I466 VanDerWaalsContact C-N 3.34Å; I466-M468 PolarHBondContact O-N 3.36Å; I466-M468 VanDerWaalsContact O-N 3.11Å; I466-L469 HydrophobicContact CD1-CD1 3.89Å; I466-L469 PolarHBondContact O-N 3.17Å; I466-I470 HydrophobicContact CG2-CD1 3.77Å; I466-I470 HydrophobicContact CG2-CG1 4.39Å; I466-I470 VanDerWaalsContact O-CG1 3.28Å; I466-I470 WeakPolarHBondContact O-CG1 3.44Å; I466-I470 PolarHBondContact O-N 3.33Å; I466-I571 HydrophobicContact CD1-CD1 4.48Å; I466-I571 HydrophobicContact CD1-CG2 3.44Å; I466-I571 VanDerWaalsContact CD1-CG2 3.44Å; I466-I571 HydrophobicContact CG1-CD1 4.4Å; I466-I571 HydrophobicContact CG1-CG2 3.96Å; I466-L575 HydrophobicContact CB-CD2 4.36Å; I466-L575 HydrophobicContact CD1-CD2 4.01Å; I466-L575 HydrophobicContact CG1-CD2 3.56Å; I466-L575 HydrophobicContact CG2-CD2 4.25Å; I466-I608 HydrophobicContact CD1-CD1 4.49Å; I466-I608 HydrophobicContact CD1-CG2 3.92Å
467	D	88.1	Confident	81.3	Confident	6 Å²	6	31.7 Å²	31.7	3%	0.032	17%	0.174	C	C	.	.	H	α-helix	trans	-52.2	-37.6	176.5	-71.6	-25	0	0	0	111	R417 I463 I470 V471 Y633 P639	R417-D467 IonicContact CZ-OD2 3.24Å; R417-D467 IonicContact NE-OD1 3.57Å; R417-D467 IonicContact NE-OD2 2.81Å; R417-D467 PolarHBondContact NE-OD2 3.34Å; R417-D467 IonicContact NH2-OD2 3.58Å; R417-D467 PolarHBondContact NH2-OD2 3.31Å; I463-D467 PolarHBondContact O-N 3.07Å; D467-I470 PolarHBondContact O-N 2.84Å; D467-V471 PolarHBondContact O-N 3.1Å; D467-Y633 VanDerWaalsContact OD1-CE1 3.26Å; D467-Y633 WeakPolarHBondContact OD1-CE1 3.43Å; D467-Y633 PolarHBondContact OD1-OH 2.92Å; D467-P639 HydrophobicContact CB-CG 4.16Å
468	M	81.6	Confident	80.1	Confident	39 Å²	39	29 Å²	29	19%	0.192	16%	0.16	C	C	.	.	H	α-helix	trans	-76.4	-39.2	178.5	-70.9	-85	176.4	0	0	113.6	T464 G465 I466 I470 V471 D472 R490 S642	T464-M468 VanDerWaalsContact O-CG 3.24Å; T464-M468 WeakPolarHBondContact O-CG 3.07Å; T464-M468 PolarHBondContact O-N 2.95Å; G465-M468 PolarHBondContact O-N 2.93Å; I466-M468 PolarHBondContact O-N 3.36Å; I466-M468 VanDerWaalsContact O-N 3.11Å; M468-I470 PolarHBondContact O-N 3.34Å; M468-V471 PolarHBondContact O-N 3.04Å; M468-D472 WeakPolarHBondContact O-CB 3.28Å; M468-D472 PolarHBondContact O-N 3.48Å; M468-R490 VanDerWaalsContact CB-NH2 3.27Å; M468-S642 VanDerWaalsContact CE-OG 3.27Å; M468-S642 WeakPolarHBondContact CE-OG 3.27Å
469	L	82.2	Confident	79.2	Confident	16 Å²	16	29.6 Å²	29.6	8%	0.084	16%	0.164	C	C	.	.	H	α-helix	trans	-59.8	-28.4	172.3	-68.9	177.6	0	0	0	112.1	G465 I466 L475 V625	G465-L469 WeakPolarHBondContact O-CG 3.18Å; G465-L469 PolarHBondContact O-N 3.08Å; I466-L469 HydrophobicContact CD1-CD1 3.89Å; I466-L469 PolarHBondContact O-N 3.17Å; L469-L475 HydrophobicContact CD2-CB 3.79Å; L469-L475 HydrophobicContact CD2-CD1 4.22Å; L469-L475 HydrophobicContact CD2-CG 4.45Å; L469-V625 HydrophobicContact CB-CG2 4.29Å
470	I	80.8	Confident	78.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-78.6	-49	-179.2	-64.8	169.7	0	0	0	111.6	I466 D467 M468 Q476 V625 L629 Y633	I466-I470 HydrophobicContact CG2-CD1 3.77Å; I466-I470 HydrophobicContact CG2-CG1 4.39Å; I466-I470 VanDerWaalsContact O-CG1 3.28Å; I466-I470 WeakPolarHBondContact O-CG1 3.44Å; I466-I470 PolarHBondContact O-N 3.33Å; D467-I470 PolarHBondContact O-N 2.84Å; M468-I470 PolarHBondContact O-N 3.34Å; I470-Q476 PolarHBondContact O-NE2 2.97Å; I470-V625 HydrophobicContact CD1-CG1 4.32Å; I470-V625 HydrophobicContact CG1-CB 4.49Å; I470-V625 HydrophobicContact CG1-CG1 3.83Å; I470-V625 HydrophobicContact CG1-CG2 4.01Å; I470-L629 HydrophobicContact CD1-CD2 4.1Å; I470-L629 HydrophobicContact CD1-CG 4.18Å; I470-Y633 HydrophobicContact CB-CD1 4.18Å; I470-Y633 HydrophobicContact CB-CE1 4.45Å; I470-Y633 HydrophobicContact CD1-CD1 3.94Å; I470-Y633 HydrophobicContact CD1-CD2 3.85Å; I470-Y633 HydrophobicContact CD1-CE1 3.62Å; I470-Y633 HydrophobicContact CD1-CE2 3.48Å; I470-Y633 VanDerWaalsContact CD1-CE2 3.48Å; I470-Y633 HydrophobicContact CD1-CG 4.08Å; I470-Y633 HydrophobicContact CG2-CD1 3.66Å; I470-Y633 HydrophobicContact CG2-CD2 4.33Å; I470-Y633 HydrophobicContact CG2-CE1 4.38Å; I470-Y633 HydrophobicContact CG2-CG 3.65Å
471	V	72.5	Confident	77.9	Confident	36 Å²	36	27.5 Å²	27.5	22%	0.218	16%	0.155	C	C	.	.	H	α-helix	trans	-78.4	-38.9	-175.3	176.6	0	0	0	0	112.7	F393 D467 M468 S473 P639	F393-V471 HydrophobicContact CZ-CG2 4.48Å; D467-V471 PolarHBondContact O-N 3.1Å; M468-V471 PolarHBondContact O-N 3.04Å; V471-S473 PolarHBondContact O-N 2.89Å; V471-S473 VanDerWaalsContact O-N 3.09Å; V471-P639 HydrophobicContact CG2-CG 3.47Å; V471-P639 VanDerWaalsContact CG2-CG 3.47Å
472	D	68.5	Low	77.2	Confident	42 Å²	42	27 Å²	27	23%	0.225	15%	0.152	C	C	.	.			trans	-78.7	102	179.7	-169.6	-14	0	0	0	109.6	M468 A474 L475 Q476	M468-D472 WeakPolarHBondContact O-CB 3.28Å; M468-D472 PolarHBondContact O-N 3.48Å; D472-A474 PolarHBondContact O-N 3.05Å; D472-A474 VanDerWaalsContact O-N 3.1Å; D472-A474 VanDerWaalsContact OD1-CB 3.23Å; D472-A474 WeakPolarHBondContact OD1-CB 3.44Å; D472-A474 PolarHBondContact OD1-N 3.18Å; D472-L475 HydrophobicContact CB-CB 4.01Å; D472-L475 HydrophobicContact CB-CD1 3.75Å; D472-L475 HydrophobicContact CB-CG 3.74Å; D472-L475 WeakPolarHBondContact O-CA 3.38Å; D472-L475 WeakPolarHBondContact O-CB 3.39Å; D472-L475 PolarHBondContact O-N 3.48Å; D472-Q476 PolarHBondContact O-N 3.25Å
473	S	58.8	Low	76.7	Confident	81 Å²	81	27.4 Å²	27.4	57%	0.566	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.5	175.6	64.9	0	0	0	0	113.8	V471 L475	V471-S473 PolarHBondContact O-N 2.89Å; V471-S473 VanDerWaalsContact O-N 3.09Å; S473-L475 VanDerWaalsContact C-N 3.33Å
474	A	54.4	Low	76.5	Confident	37 Å²	37	27.3 Å²	27.3	31%	0.306	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-29.2	174.2	0	0	0	0	0	111.8	D472 T478 Y1106	D472-A474 PolarHBondContact O-N 3.05Å; D472-A474 VanDerWaalsContact O-N 3.1Å; D472-A474 VanDerWaalsContact OD1-CB 3.23Å; D472-A474 WeakPolarHBondContact OD1-CB 3.44Å; D472-A474 PolarHBondContact OD1-N 3.18Å; A474-T478 PolarHBondContact O-OG1 3.11Å; A474-Y1106 HydrophobicContact CB-CD1 4.35Å; A474-Y1106 HydrophobicContact CB-CE1 4.21Å
475	L	54.6	Low	76.3	Confident	32 Å²	32	25.8 Å²	25.8	17%	0.168	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-79	-17.9	177.4	-64.1	-178.5	0	0	0	113.7	L469 D472 S473 Y477 T478	L469-L475 HydrophobicContact CD2-CB 3.79Å; L469-L475 HydrophobicContact CD2-CD1 4.22Å; L469-L475 HydrophobicContact CD2-CG 4.45Å; D472-L475 HydrophobicContact CB-CB 4.01Å; D472-L475 HydrophobicContact CB-CD1 3.75Å; D472-L475 HydrophobicContact CB-CG 3.74Å; D472-L475 WeakPolarHBondContact O-CA 3.38Å; D472-L475 WeakPolarHBondContact O-CB 3.39Å; D472-L475 PolarHBondContact O-N 3.48Å; S473-L475 VanDerWaalsContact C-N 3.33Å; L475-Y477 PolarHBondContact O-N 3.43Å; L475-Y477 VanDerWaalsContact O-N 3.1Å; L475-T478 WeakPolarHBondContact CA-OG1 3.38Å; L475-T478 HydrophobicContact CD2-CG2 4.27Å; L475-T478 WeakPolarHBondContact O-CB 3.44Å; L475-T478 PolarHBondContact O-N 3.2Å; L475-T478 VanDerWaalsContact O-N 3.16Å
476	Q	58.7	Low	76.2	Confident	44 Å²	44	28.3 Å²	28.3	21%	0.206	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-65.4	-11.2	177.8	-66.3	-179	-1.2	0	0	114.6	I470 D472 I623	I470-Q476 PolarHBondContact O-NE2 2.97Å; D472-Q476 PolarHBondContact O-N 3.25Å; Q476-I623 VanDerWaalsContact O-O 3.08Å
477	Y	64.9	Low	76.3	Confident	127 Å²	127	28.8 Å²	28.8	50%	0.498	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-128.5	25	177.5	-52.5	-84.8	0	0	0	111.5	L475	L475-Y477 PolarHBondContact O-N 3.43Å; L475-Y477 VanDerWaalsContact O-N 3.1Å
478	T	69.8	Low	76.6	Confident	5 Å²	5	28.5 Å²	28.5	3%	0.031	16%	0.157	C	C	.	.			trans	-86.6	146.9	-175	-77.2	0	0	0	0	111.7	A474 L475 I482 I623	A474-T478 PolarHBondContact O-OG1 3.11Å; L475-T478 WeakPolarHBondContact CA-OG1 3.38Å; L475-T478 HydrophobicContact CD2-CG2 4.27Å; L475-T478 WeakPolarHBondContact O-CB 3.44Å; L475-T478 PolarHBondContact O-N 3.2Å; L475-T478 VanDerWaalsContact O-N 3.16Å; T478-I482 HydrophobicContact CG2-CB 3.49Å; T478-I482 VanDerWaalsContact CG2-CB 3.49Å; T478-I482 HydrophobicContact CG2-CD1 4.22Å; T478-I482 HydrophobicContact CG2-CG1 4.44Å; T478-I482 HydrophobicContact CG2-CG2 3.51Å; T478-I623 PolarHBondContact O-N 3.44Å
479	S	80.3	Confident	76.9	Confident	13 Å²	13	27.9 Å²	27.9	9%	0.091	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-68.7	147.4	174.8	75.7	0	0	0	0	111.6	S481 I482 A483 N621 Q1114	S479-S481 PolarHBondContact O-N 3Å; S479-S481 VanDerWaalsContact O-N 3.08Å; S479-I482 PolarHBondContact O-N 3.18Å; S479-I482 WeakPolarHBondContact OG-CG1 3.08Å; S479-A483 PolarHBondContact O-N 3.14Å; S479-N621 WeakPolarHBondContact CA-O 3.36Å; S479-Q1114 PolarHBondContact OG-OE1 2.9Å; S479-Q1114 VanDerWaalsContact OG-OE1 3.08Å
480	S	82.7	Confident	77.3	Confident	22 Å²	22	28.5 Å²	28.5	15%	0.154	15%	0.154	C	C	.	.	H	α-helix	trans	-55.1	-32.6	178.4	55.3	0	0	0	0	113.3	I482 A483 C484 E610 I623	S480-I482 PolarHBondContact O-N 3.08Å; S480-A483 WeakPolarHBondContact O-CB 3.31Å; S480-A483 PolarHBondContact O-N 3.25Å; S480-C484 PolarHBondContact O-N 3.12Å; S480-C484 PolarHBondContact O-SG 2.73Å; S480-E610 WeakPolarHBondContact CB-OE1 3.35Å; S480-E610 PolarHBondContact OG-OE1 2.9Å; S480-I623 VanDerWaalsContact CA-CD1 3.5Å
481	S	80.7	Confident	78	Confident	7 Å²	7	28.5 Å²	28.5	5%	0.049	15%	0.154	C	C	.	.	H	α-helix	trans	-69.6	-33.6	-178.9	-57.6	0	0	0	0	113.6	S479 L485	S479-S481 PolarHBondContact O-N 3Å; S479-S481 VanDerWaalsContact O-N 3.08Å; S481-L485 PolarHBondContact O-N 2.9Å; S481-L485 VanDerWaalsContact O-N 3.12Å
482	I	81.7	Confident	78.9	Confident	8 Å²	8	28.2 Å²	28.2	4%	0.041	15%	0.15	C	C	.	.	H	α-helix	trans	-71.3	-40	173.2	-66.6	169.4	0	0	0	110.2	T478 S479 S480 C484 L485 Q486 I1110 N1113 I1117	T478-I482 HydrophobicContact CG2-CB 3.49Å; T478-I482 VanDerWaalsContact CG2-CB 3.49Å; T478-I482 HydrophobicContact CG2-CD1 4.22Å; T478-I482 HydrophobicContact CG2-CG1 4.44Å; T478-I482 HydrophobicContact CG2-CG2 3.51Å; S479-I482 PolarHBondContact O-N 3.18Å; S479-I482 WeakPolarHBondContact OG-CG1 3.08Å; S480-I482 PolarHBondContact O-N 3.08Å; I482-C484 VanDerWaalsContact C-N 3.33Å; I482-C484 PolarHBondContact O-N 3.06Å; I482-L485 PolarHBondContact O-N 3.12Å; I482-Q486 HydrophobicContact CG2-CG 4.41Å; I482-Q486 WeakPolarHBondContact O-CG 3.29Å; I482-Q486 PolarHBondContact O-N 3.06Å; I482-I1110 HydrophobicContact CD1-CB 3.98Å; I482-I1110 HydrophobicContact CD1-CG1 3.57Å; I482-I1110 HydrophobicContact CD1-CG2 3.98Å; I482-N1113 HydrophobicContact CG1-CB 4.03Å; I482-I1117 HydrophobicContact CG1-CD1 4.27Å
483	A	85.4	Confident	79.9	Confident	9 Å²	9	29.5 Å²	29.5	7%	0.074	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-43.7	175.1	0	0	0	0	0	111.6	S479 S480 L485 Q486 L487 Y568 I623	S479-A483 PolarHBondContact O-N 3.14Å; S480-A483 WeakPolarHBondContact O-CB 3.31Å; S480-A483 PolarHBondContact O-N 3.25Å; A483-L485 PolarHBondContact O-N 2.89Å; A483-Q486 PolarHBondContact O-N 3.47Å; A483-L487 WeakPolarHBondContact O-CG 3.49Å; A483-L487 PolarHBondContact O-N 2.99Å; A483-Y568 HydrophobicContact CB-CD2 4.48Å; A483-I623 HydrophobicContact CB-CD1 3.38Å
484	C	90.2	Very high	81.5	Confident	4 Å²	4	26.3 Å²	26.3	3%	0.027	13%	0.13	C	C	.	.	H	α-helix	trans	-56.1	-52.1	172.3	-64.4	0	0	0	0	111.4	S480 I482 Q486 L487 G488 F561 G564 Y568	S480-C484 PolarHBondContact O-N 3.12Å; S480-C484 PolarHBondContact O-SG 2.73Å; I482-C484 VanDerWaalsContact C-N 3.33Å; I482-C484 PolarHBondContact O-N 3.06Å; C484-Q486 VanDerWaalsContact C-N 3.26Å; C484-Q486 PolarHBondContact O-N 3.02Å; C484-L487 PolarHBondContact O-N 3.31Å; C484-L487 VanDerWaalsContact O-N 3.15Å; C484-G488 PolarHBondContact O-N 2.9Å; C484-F561 HydrophobicContact CB-CD2 3.92Å; C484-F561 HydrophobicContact CB-CE2 4Å; C484-G564 WeakPolarHBondContact O-CA 3.49Å; C484-Y568 VanDerWaalsContact SG-CB 3.58Å
485	L	87.1	Confident	83.3	Confident	6 Å²	6	24.6 Å²	24.6	3%	0.031	12%	0.116	C	C	.	.	H	α-helix	trans	-58.3	-39	-179.3	-174.7	63	0	0	0	112.5	S481 I482 A483 G488 R489 P557 L560 N1113	S481-L485 PolarHBondContact O-N 2.9Å; S481-L485 VanDerWaalsContact O-N 3.12Å; I482-L485 PolarHBondContact O-N 3.12Å; A483-L485 PolarHBondContact O-N 2.89Å; L485-G488 PolarHBondContact O-N 3Å; L485-R489 WeakPolarHBondContact O-CG 3Å; L485-R489 PolarHBondContact O-N 3.32Å; L485-R489 VanDerWaalsContact O-N 3.09Å; L485-P557 HydrophobicContact CD1-CB 4.11Å; L485-L560 HydrophobicContact CD1-CB 3.66Å; L485-L560 HydrophobicContact CD1-CD1 4.11Å; L485-N1113 HydrophobicContact CD2-CB 4.4Å
486	Q	86.8	Confident	84.9	Confident	59 Å²	59	24.3 Å²	24.3	28%	0.276	12%	0.116	S	C	.	.	H	α-helix	trans	-68.1	-41.9	176.9	-66.1	-60.8	-19.7	0	0	112.5	I482 A483 C484 G488 R489 R490	I482-Q486 HydrophobicContact CG2-CG 4.41Å; I482-Q486 WeakPolarHBondContact O-CG 3.29Å; I482-Q486 PolarHBondContact O-N 3.06Å; A483-Q486 PolarHBondContact O-N 3.47Å; C484-Q486 VanDerWaalsContact C-N 3.26Å; C484-Q486 PolarHBondContact O-N 3.02Å; Q486-G488 VanDerWaalsContact C-N 3.33Å; Q486-G488 PolarHBondContact O-N 3.46Å; Q486-R489 PolarHBondContact O-N 3.46Å; Q486-R490 WeakPolarHBondContact O-CG 3.23Å; Q486-R490 PolarHBondContact O-N 3.33Å; Q486-R490 VanDerWaalsContact O-N 3.08Å
487	L	92.7	Very high	86.4	Confident	11 Å²	11	22.7 Å²	22.7	6%	0.058	11%	0.109	C	C	.	.	H	α-helix	trans	-59.5	-44.9	173.4	-74.1	170.5	0	0	0	111.2	A483 C484 R489 R490 V491 L567 I571	A483-L487 WeakPolarHBondContact O-CG 3.49Å; A483-L487 PolarHBondContact O-N 2.99Å; C484-L487 PolarHBondContact O-N 3.31Å; C484-L487 VanDerWaalsContact O-N 3.15Å; L487-R489 PolarHBondContact O-N 3.28Å; L487-R490 PolarHBondContact O-N 2.93Å; L487-V491 WeakPolarHBondContact O-CG2 3.33Å; L487-V491 PolarHBondContact O-N 3.46Å; L487-V491 VanDerWaalsContact O-N 3.07Å; L487-L567 HydrophobicContact CD1-CB 4.22Å; L487-I571 HydrophobicContact CD1-CD1 3.91Å; L487-I571 HydrophobicContact CD2-CD1 4.37Å
488	G	93.6	Very high	87.7	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.4	-44.4	175.8	0	0	0	0	0	113.3	C484 L485 Q486 R490 V491 E492 L560	C484-G488 PolarHBondContact O-N 2.9Å; L485-G488 PolarHBondContact O-N 3Å; Q486-G488 VanDerWaalsContact C-N 3.33Å; Q486-G488 PolarHBondContact O-N 3.46Å; G488-R490 VanDerWaalsContact C-N 3.33Å; G488-R490 PolarHBondContact O-N 3.05Å; G488-V491 PolarHBondContact O-N 2.59Å; G488-E492 PolarHBondContact O-N 2.92Å; G488-L560 VanDerWaalsContact CA-O 3.31Å; G488-L560 WeakPolarHBondContact CA-O 3.49Å; G488-L560 WeakPolarHBondContact O-CD2 3.49Å
489	R	89	Confident	88.7	Confident	26 Å²	26	20.9 Å²	20.9	10%	0.098	10%	0.101	C	C	.	.	H	α-helix	trans	-63.6	-37.3	177.2	-73.7	175	178.2	159.3	1.6	112.5	L485 Q486 L487 V491 E492 R493 L560	L485-R489 WeakPolarHBondContact O-CG 3Å; L485-R489 PolarHBondContact O-N 3.32Å; L485-R489 VanDerWaalsContact O-N 3.09Å; Q486-R489 PolarHBondContact O-N 3.46Å; L487-R489 PolarHBondContact O-N 3.28Å; R489-V491 VanDerWaalsContact C-N 3.35Å; R489-E492 PolarHBondContact O-N 3.18Å; R489-R493 WeakPolarHBondContact O-CG 3.44Å; R489-R493 PolarHBondContact O-N 3.42Å; R489-R493 VanDerWaalsContact O-N 3.16Å; R489-L560 HydrophobicContact CG-CD1 3.82Å; R489-L560 HydrophobicContact CG-CD2 4.29Å
490	R	90.3	Very high	89	Confident	30 Å²	30	20.7 Å²	20.7	11%	0.113	10%	0.098	C	C	.	.	H	α-helix	trans	-64.7	-42	175.8	-70.6	178.8	-173.1	-162.7	2.6	111.4	E383 L461 T464 M468 Q486 L487 G488 R493 A494	E383-R490 IonicContact OE1-CZ 3.5Å; E383-R490 IonicContact OE1-NE 3.45Å; E383-R490 IonicContact OE1-NH1 2.76Å; L461-R490 HydrophobicContact CD2-CB 4.28Å; T464-R490 PolarHBondContact O-NH1 3.45Å; M468-R490 VanDerWaalsContact CB-NH2 3.27Å; Q486-R490 WeakPolarHBondContact O-CG 3.23Å; Q486-R490 PolarHBondContact O-N 3.33Å; Q486-R490 VanDerWaalsContact O-N 3.08Å; L487-R490 PolarHBondContact O-N 2.93Å; G488-R490 VanDerWaalsContact C-N 3.33Å; G488-R490 PolarHBondContact O-N 3.05Å; R490-R493 PolarHBondContact O-N 3.32Å; R490-A494 WeakPolarHBondContact O-CB 3.45Å; R490-A494 PolarHBondContact O-N 2.96Å
491	V	94.6	Very high	89.3	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.7	-46.1	174.8	175.9	0	0	0	0	111.6	Y458 L461 L487 G488 R489 R493 A494 C495 W555 I563 L567	Y458-V491 HydrophobicContact CD1-CG1 4.46Å; Y458-V491 HydrophobicContact CD1-CG2 4.19Å; Y458-V491 HydrophobicContact CE1-CG1 3.67Å; Y458-V491 HydrophobicContact CE1-CG2 4.2Å; L461-V491 HydrophobicContact CD1-CG2 4.07Å; L487-V491 WeakPolarHBondContact O-CG2 3.33Å; L487-V491 PolarHBondContact O-N 3.46Å; L487-V491 VanDerWaalsContact O-N 3.07Å; G488-V491 PolarHBondContact O-N 2.59Å; R489-V491 VanDerWaalsContact C-N 3.35Å; V491-R493 VanDerWaalsContact C-N 3.33Å; V491-R493 PolarHBondContact O-N 3.28Å; V491-A494 PolarHBondContact O-N 3.17Å; V491-C495 WeakPolarHBondContact O-CB 3.46Å; V491-C495 PolarHBondContact O-N 3.43Å; V491-C495 PolarHBondContact O-SG 3.43Å; V491-W555 HydrophobicContact CB-CZ3 4.46Å; V491-W555 HydrophobicContact CG1-CH2 4.21Å; V491-W555 HydrophobicContact CG1-CZ3 3.95Å; V491-I563 HydrophobicContact CB-CG2 4.06Å; V491-I563 HydrophobicContact CG1-CG2 4.06Å; V491-I563 HydrophobicContact CG2-CG2 3.98Å; V491-L567 HydrophobicContact CG2-CD1 3.49Å; V491-L567 VanDerWaalsContact CG2-CD1 3.49Å
492	E	92	Very high	89.7	Confident	30 Å²	30	30.6 Å²	30.6	14%	0.14	14%	0.139	C	C	.	.	H	α-helix	trans	-56.2	-46.6	178.9	-174.8	-174.7	-159.1	0	0	111.8	G488 R489 C495 T496 S554 W555 L560	G488-E492 PolarHBondContact O-N 2.92Å; R489-E492 PolarHBondContact O-N 3.18Å; E492-C495 PolarHBondContact O-N 3.1Å; E492-T496 WeakPolarHBondContact O-CB 3.49Å; E492-T496 PolarHBondContact O-N 3.15Å; E492-T496 PolarHBondContact O-OG1 3.49Å; E492-S554 VanDerWaalsContact OE1-CA 3.26Å; E492-S554 WeakPolarHBondContact OE1-CA 3.23Å; E492-S554 PolarHBondContact OE1-OG 3.05Å; E492-W555 HydrophobicContact CB-CD2 4.15Å; E492-W555 HydrophobicContact CB-CE3 3.52Å; E492-W555 HydrophobicContact CB-CH2 4.43Å; E492-W555 HydrophobicContact CB-CZ3 3.68Å; E492-W555 HydrophobicContact CG-CD2 3.89Å; E492-W555 HydrophobicContact CG-CE3 3.8Å; E492-W555 HydrophobicContact CG-CG 4.27Å; E492-W555 HydrophobicContact CG-CZ3 4.25Å; E492-W555 PolarHBondContact OE1-N 3.13Å; E492-L560 HydrophobicContact CB-CD2 4.03Å
493	R	88.8	Confident	89.8	Confident	69 Å²	69	33.1 Å²	33.1	26%	0.26	15%	0.152	S	C	.	.	H	α-helix	trans	-62.8	-49.4	178.4	-68.2	174.7	-166.4	166.5	1.3	111.7	R489 R490 V491 C495 T496 V497 H644 Y671	R489-R493 WeakPolarHBondContact O-CG 3.44Å; R489-R493 PolarHBondContact O-N 3.42Å; R489-R493 VanDerWaalsContact O-N 3.16Å; R490-R493 PolarHBondContact O-N 3.32Å; V491-R493 VanDerWaalsContact C-N 3.33Å; V491-R493 PolarHBondContact O-N 3.28Å; R493-C495 VanDerWaalsContact C-N 3.31Å; R493-C495 PolarHBondContact O-N 3.04Å; R493-T496 WeakPolarHBondContact O-CB 3.26Å; R493-T496 PolarHBondContact O-N 3.39Å; R493-T496 VanDerWaalsContact O-N 3.13Å; R493-V497 PolarHBondContact O-N 2.99Å; R493-H644 PolarHBondContact NH1-CD2 3.32Å; R493-Y671 HydrophobicContact CG-CE2 4Å
494	A	92.4	Very high	89.7	Confident	13 Å²	13	34 Å²	34	11%	0.107	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-42	178.3	0	0	0	0	0	111.7	L453 L461 R490 V491 T496 V497 Y498	L453-A494 HydrophobicContact CD1-CB 3.64Å; L461-A494 HydrophobicContact CD1-CB 3.94Å; L461-A494 HydrophobicContact CD2-CB 4.32Å; R490-A494 WeakPolarHBondContact O-CB 3.45Å; R490-A494 PolarHBondContact O-N 2.96Å; V491-A494 PolarHBondContact O-N 3.17Å; A494-T496 VanDerWaalsContact C-N 3.33Å; A494-T496 PolarHBondContact O-N 2.89Å; A494-V497 PolarHBondContact O-N 3.04Å; A494-Y498 VanDerWaalsContact O-CB 3.3Å; A494-Y498 WeakPolarHBondContact O-CB 3.35Å; A494-Y498 PolarHBondContact O-N 3.1Å
495	C	92.9	Very high	89.5	Confident	1 Å²	1	34 Å²	34	1%	0.007	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-40.8	174.7	-70.1	0	0	0	0	111.9	I452 V491 E492 R493 Y498 R499 W555	I452-C495 HydrophobicContact CD1-CB 4.45Å; I452-C495 HydrophobicContact CG2-CB 4.05Å; V491-C495 WeakPolarHBondContact O-CB 3.46Å; V491-C495 PolarHBondContact O-N 3.43Å; V491-C495 PolarHBondContact O-SG 3.43Å; E492-C495 PolarHBondContact O-N 3.1Å; R493-C495 VanDerWaalsContact C-N 3.31Å; R493-C495 PolarHBondContact O-N 3.04Å; C495-Y498 PolarHBondContact O-N 3.23Å; C495-R499 WeakPolarHBondContact O-CB 3.06Å; C495-R499 WeakPolarHBondContact O-CD 3.39Å; C495-R499 WeakPolarHBondContact O-CG 3.47Å; C495-R499 PolarHBondContact O-N 2.94Å; C495-W555 HydrophobicContact CB-CH2 3.96Å; C495-W555 HydrophobicContact CB-CZ2 4.34Å
496	T	88.6	Confident	89.6	Confident	27 Å²	27	34.4 Å²	34.4	17%	0.166	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-51.1	179.4	-60.6	0	0	0	0	111.1	E492 R493 A494 Y498 R499 Q500 W552 Y671	E492-T496 WeakPolarHBondContact O-CB 3.49Å; E492-T496 PolarHBondContact O-N 3.15Å; E492-T496 PolarHBondContact O-OG1 3.49Å; R493-T496 WeakPolarHBondContact O-CB 3.26Å; R493-T496 PolarHBondContact O-N 3.39Å; R493-T496 VanDerWaalsContact O-N 3.13Å; A494-T496 VanDerWaalsContact C-N 3.33Å; A494-T496 PolarHBondContact O-N 2.89Å; T496-Y498 PolarHBondContact O-N 3.31Å; T496-R499 PolarHBondContact O-N 2.91Å; T496-Q500 WeakPolarHBondContact O-CG 3.22Å; T496-Q500 PolarHBondContact O-N 2.82Å; T496-W552 HydrophobicContact CG2-CE3 4.32Å; T496-W552 HydrophobicContact CG2-CZ3 4.14Å; T496-Y671 HydrophobicContact CG2-CE1 4.41Å
497	V	90.3	Very high	89.7	Confident	10 Å²	10	39.1 Å²	39.1	6%	0.061	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-45.1	178.3	177.3	0	0	0	0	111.2	K380 T382 R493 A494 R499 Q500 E501 F506 I667	K380-V497 HydrophobicContact CG-CG1 4.43Å; T382-V497 HydrophobicContact CG2-CB 4.33Å; T382-V497 HydrophobicContact CG2-CG2 3.76Å; R493-V497 PolarHBondContact O-N 2.99Å; A494-V497 PolarHBondContact O-N 3.04Å; V497-R499 PolarHBondContact O-N 3.26Å; V497-Q500 PolarHBondContact O-N 3.28Å; V497-E501 PolarHBondContact O-N 3.37Å; V497-F506 HydrophobicContact CG1-CZ 4.2Å; V497-I667 HydrophobicContact CG2-CG2 4.02Å
498	Y	92.3	Very high	89.4	Confident	65 Å²	65	39.7 Å²	39.7	26%	0.255	19%	0.185	S	C	.	.	H	α-helix	trans	-60.3	-44.3	178.3	-180	-95.3	0	0	0	112.2	I452 L453 P454 A494 C495 T496 E501 K502	I452-Y498 HydrophobicContact CG2-CD1 4.31Å; I452-Y498 VanDerWaalsContact O-CE1 3.22Å; I452-Y498 WeakPolarHBondContact O-CE1 3.38Å; L453-Y498 HydrophobicContact CD2-CD1 3.98Å; L453-Y498 HydrophobicContact CD2-CD2 3.93Å; L453-Y498 HydrophobicContact CD2-CG 3.49Å; L453-Y498 VanDerWaalsContact CD2-CG 3.49Å; P454-Y498 HydrophobicContact CG-CE2 4.17Å; A494-Y498 VanDerWaalsContact O-CB 3.3Å; A494-Y498 WeakPolarHBondContact O-CB 3.35Å; A494-Y498 PolarHBondContact O-N 3.1Å; C495-Y498 PolarHBondContact O-N 3.23Å; T496-Y498 PolarHBondContact O-N 3.31Å; Y498-E501 WeakPolarHBondContact O-CB 3.47Å; Y498-E501 PolarHBondContact O-N 2.89Å; Y498-K502 HydrophobicContact CD1-CG 4.2Å; Y498-K502 HydrophobicContact CE1-CG 3.86Å; Y498-K502 WeakPolarHBondContact O-CG 3.15Å; Y498-K502 PolarHBondContact O-N 3.13Å; Y498-K502 WeakPolarHBondContact OH-CE 3.06Å
499	R	89.7	Confident	89.2	Confident	28 Å²	28	39.7 Å²	39.7	11%	0.106	19%	0.185	C	C	.	.	H	α-helix	trans	-66.4	-41.3	179	-70.7	170.2	73.1	-169	8.3	111.5	I452 C495 T496 V497 E501 K502 I503 W552	I452-R499 HydrophobicContact CG2-CG 4.05Å; C495-R499 WeakPolarHBondContact O-CB 3.06Å; C495-R499 WeakPolarHBondContact O-CD 3.39Å; C495-R499 WeakPolarHBondContact O-CG 3.47Å; C495-R499 PolarHBondContact O-N 2.94Å; T496-R499 PolarHBondContact O-N 2.91Å; V497-R499 PolarHBondContact O-N 3.26Å; R499-E501 VanDerWaalsContact C-N 3.27Å; R499-E501 PolarHBondContact O-N 3.36Å; R499-K502 PolarHBondContact O-N 3.2Å; R499-I503 WeakPolarHBondContact O-CG1 3.41Å; R499-I503 PolarHBondContact O-N 3.49Å; R499-W552 HydrophobicContact CB-CH2 3.27Å; R499-W552 HydrophobicContact CB-CZ2 3.83Å; R499-W552 HydrophobicContact CB-CZ3 3.65Å; R499-W552 HydrophobicContact CG-CH2 4.49Å; R499-W552 VanDerWaalsContact CZ-CD2 3.47Å; R499-W552 VanDerWaalsContact CZ-CE2 3.49Å; R499-W552 VanDerWaalsContact NH2-NE1 3.11Å
500	Q	88.1	Confident	89.4	Confident	9 Å²	9	41.3 Å²	41.3	4%	0.042	19%	0.194	C	C	.	.	H	α-helix	trans	-58.6	-41	174.2	-81.1	168.6	-35.4	0	0	111.2	T496 V497 I503 G504 Y505 F506 W552 I667	T496-Q500 WeakPolarHBondContact O-CG 3.22Å; T496-Q500 PolarHBondContact O-N 2.82Å; V497-Q500 PolarHBondContact O-N 3.28Å; Q500-I503 WeakPolarHBondContact O-CG1 3.33Å; Q500-G504 PolarHBondContact O-N 3.22Å; Q500-Y505 HydrophobicContact CB-CD1 3.94Å; Q500-Y505 HydrophobicContact CB-CG 4.35Å; Q500-Y505 HydrophobicContact CG-CD1 4Å; Q500-Y505 HydrophobicContact CG-CG 4.34Å; Q500-Y505 VanDerWaalsContact O-CB 3.26Å; Q500-Y505 WeakPolarHBondContact O-CB 3.34Å; Q500-Y505 PolarHBondContact O-N 3.1Å; Q500-Y505 VanDerWaalsContact O-N 3.14Å; Q500-F506 HydrophobicContact CB-CE1 3.89Å; Q500-F506 HydrophobicContact CB-CZ 3.87Å; Q500-W552 HydrophobicContact CG-CH2 3.95Å; Q500-W552 HydrophobicContact CG-CZ3 3.92Å; Q500-I667 PolarHBondContact NE2-O 3.43Å; Q500-I667 VanDerWaalsContact NE2-O 3.15Å
501	E	88.9	Confident	89.4	Confident	96 Å²	96	45 Å²	45	45%	0.449	21%	0.211	S	C	.	.	H	α-helix	trans	-62.2	-46.7	175.7	-165.3	153.5	-129.3	0	0	112.5	K380 V497 Y498 R499 I503 G504 F506	K380-E501 IonicContact NZ-OE1 2.79Å; K380-E501 PolarHBondContact NZ-OE1 2.81Å; V497-E501 PolarHBondContact O-N 3.37Å; Y498-E501 WeakPolarHBondContact O-CB 3.47Å; Y498-E501 PolarHBondContact O-N 2.89Å; R499-E501 VanDerWaalsContact C-N 3.27Å; R499-E501 PolarHBondContact O-N 3.36Å; E501-I503 VanDerWaalsContact C-N 3.3Å; E501-I503 PolarHBondContact O-N 3.32Å; E501-G504 PolarHBondContact O-N 2.82Å; E501-G504 VanDerWaalsContact O-N 3.08Å; E501-F506 HydrophobicContact CB-CD2 4.14Å; E501-F506 HydrophobicContact CB-CE2 3.5Å; E501-F506 HydrophobicContact CB-CZ 4.32Å; E501-F506 HydrophobicContact CG-CD2 4.1Å; E501-F506 HydrophobicContact CG-CE2 3.83Å
502	K	88	Confident	89.2	Confident	142 Å²	142	45.2 Å²	45.2	62%	0.617	21%	0.212	S	C	*	.	H	α-helix	trans	-64.7	-31.9	-175.6	-70.8	-63.5	179.9	-172.7	0	113.9	Y498 R499 G504	Y498-K502 HydrophobicContact CD1-CG 4.2Å; Y498-K502 HydrophobicContact CE1-CG 3.86Å; Y498-K502 WeakPolarHBondContact O-CG 3.15Å; Y498-K502 PolarHBondContact O-N 3.13Å; Y498-K502 WeakPolarHBondContact OH-CE 3.06Å; R499-K502 PolarHBondContact O-N 3.2Å; K502-G504 VanDerWaalsContact C-N 3.29Å
503	I	83.9	Confident	89.3	Confident	60 Å²	60	43.8 Å²	43.8	31%	0.308	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	1.1	177.3	66.9	-178.3	0	0	0	113.2	R499 Q500 E501 Y505 H550 W552	R499-I503 WeakPolarHBondContact O-CG1 3.41Å; R499-I503 PolarHBondContact O-N 3.49Å; Q500-I503 WeakPolarHBondContact O-CG1 3.33Å; E501-I503 VanDerWaalsContact C-N 3.3Å; E501-I503 PolarHBondContact O-N 3.32Å; I503-Y505 VanDerWaalsContact C-N 3.34Å; I503-Y505 PolarHBondContact O-N 2.87Å; I503-H550 WeakPolarHBondContact CD1-CE1 3.48Å; I503-H550 WeakPolarHBondContact CD1-NE2 3.25Å; I503-W552 HydrophobicContact CD1-CH2 4.09Å; I503-W552 HydrophobicContact CD1-CZ2 3.95Å
504	G	84.3	Confident	89.6	Confident	28 Å²	28	41.4 Å²	41.4	29%	0.289	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	14.9	178.7	0	0	0	0	0	115.1	Q500 E501 K502 F506 K507 Q508	Q500-G504 PolarHBondContact O-N 3.22Å; E501-G504 PolarHBondContact O-N 2.82Å; E501-G504 VanDerWaalsContact O-N 3.08Å; K502-G504 VanDerWaalsContact C-N 3.29Å; G504-F506 VanDerWaalsContact C-N 3.3Å; G504-F506 PolarHBondContact O-N 3.4Å; G504-K507 PolarHBondContact O-N 3.37Å; G504-Q508 PolarHBondContact O-N 3.32Å
505	Y	85.6	Confident	89.6	Confident	3 Å²	3	42 Å²	42	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-52.3	-44.5	-177.5	167.1	-104.9	0	0	0	112.7	Q500 I503 K507 Q508 L509 N547 H550 L666 R669	Q500-Y505 HydrophobicContact CB-CD1 3.94Å; Q500-Y505 HydrophobicContact CB-CG 4.35Å; Q500-Y505 HydrophobicContact CG-CD1 4Å; Q500-Y505 HydrophobicContact CG-CG 4.34Å; Q500-Y505 VanDerWaalsContact O-CB 3.26Å; Q500-Y505 WeakPolarHBondContact O-CB 3.34Å; Q500-Y505 PolarHBondContact O-N 3.1Å; Q500-Y505 VanDerWaalsContact O-N 3.14Å; I503-Y505 VanDerWaalsContact C-N 3.34Å; I503-Y505 PolarHBondContact O-N 2.87Å; Y505-K507 VanDerWaalsContact C-N 3.3Å; Y505-K507 PolarHBondContact O-N 3.08Å; Y505-Q508 PolarHBondContact O-N 2.93Å; Y505-Q508 VanDerWaalsContact O-N 3.14Å; Y505-L509 HydrophobicContact CE1-CB 4.47Å; Y505-L509 HydrophobicContact CE1-CD2 3.86Å; Y505-L509 WeakPolarHBondContact O-CB 3.3Å; Y505-L509 PolarHBondContact O-N 3.48Å; Y505-N547 WeakPolarHBondContact CD2-O 3.37Å; Y505-N547 WeakPolarHBondContact CE2-O 3.39Å; Y505-H550 AromaticContact CD2-CE1 3.53Å; Y505-H550 AromaticContact CD2-NE2 3.18Å; Y505-H550 WeakPolarHBondContact CD2-NE2 3.43Å; Y505-H550 AromaticContact CE2-NE2 3.8Å; Y505-H550 AromaticContact CG-NE2 3.41Å; Y505-L666 PolarHBondContact OH-O 3.21Å; Y505-R669 PolarHBondContact OH-NE 2.88Å; Y505-R669 PolarHBondContact OH-NH2 3.19Å
506	F	88.9	Confident	89.7	Confident	16 Å²	16	42 Å²	42	7%	0.07	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-34.9	-175.5	-54.5	-41.2	0	0	0	113.8	M376 K380 V497 Q500 E501 G504 L509 E510 I667	M376-F506 HydrophobicContact CE-CB 4.16Å; M376-F506 HydrophobicContact CE-CD1 4.15Å; M376-F506 HydrophobicContact CE-CG 4.46Å; M376-F506 HydrophobicContact SD-CB 4.12Å; M376-F506 HydrophobicContact SD-CD1 3.57Å; M376-F506 VanDerWaalsContact SD-CD1 3.57Å; M376-F506 HydrophobicContact SD-CE1 4.17Å; M376-F506 HydrophobicContact SD-CG 3.89Å; K380-F506 HydrophobicContact CD-CE2 4.21Å; K380-F506 HydrophobicContact CG-CE2 4.26Å; K380-F506 HydrophobicContact CG-CZ 4.3Å; V497-F506 HydrophobicContact CG1-CZ 4.2Å; Q500-F506 HydrophobicContact CB-CE1 3.89Å; Q500-F506 HydrophobicContact CB-CZ 3.87Å; E501-F506 HydrophobicContact CB-CD2 4.14Å; E501-F506 HydrophobicContact CB-CE2 3.5Å; E501-F506 HydrophobicContact CB-CZ 4.32Å; E501-F506 HydrophobicContact CG-CD2 4.1Å; E501-F506 HydrophobicContact CG-CE2 3.83Å; G504-F506 VanDerWaalsContact C-N 3.3Å; G504-F506 PolarHBondContact O-N 3.4Å; F506-L509 PolarHBondContact O-N 3.36Å; F506-E510 WeakPolarHBondContact O-CB 3.4Å; F506-E510 PolarHBondContact O-N 2.95Å; F506-I667 HydrophobicContact CD1-CD1 4.28Å; F506-I667 HydrophobicContact CD1-CG1 4.27Å; F506-I667 HydrophobicContact CE1-CB 4.5Å; F506-I667 HydrophobicContact CE1-CD1 3.62Å; F506-I667 HydrophobicContact CE1-CG1 3.76Å; F506-I667 HydrophobicContact CE1-CG2 4.08Å; F506-I667 HydrophobicContact CZ-CD1 4.01Å
507	K	88.4	Confident	90.1	Very high	158 Å²	158	40.7 Å²	40.7	69%	0.687	19%	0.192	S	C	*	.	H	α-helix	trans	-71.1	-38.1	178	-68.4	-177.1	179.3	179.9	0	111.5	G504 Y505 K511	G504-K507 PolarHBondContact O-N 3.37Å; Y505-K507 VanDerWaalsContact C-N 3.3Å; Y505-K507 PolarHBondContact O-N 3.08Å; K507-K511 WeakPolarHBondContact O-CG 3.06Å; K507-K511 PolarHBondContact O-N 3.05Å
508	Q	86.2	Confident	90.3	Very high	22 Å²	22	42.8 Å²	42.8	10%	0.103	21%	0.205	C	C	.	.	H	α-helix	trans	-67.8	-44.4	174.8	-64.6	-177.2	3.9	0	0	110.3	G504 Y505 E510 K511 M512	G504-Q508 PolarHBondContact O-N 3.32Å; Y505-Q508 PolarHBondContact O-N 2.93Å; Y505-Q508 VanDerWaalsContact O-N 3.14Å; Q508-E510 VanDerWaalsContact C-N 3.32Å; Q508-E510 PolarHBondContact O-N 3.4Å; Q508-K511 PolarHBondContact O-N 2.9Å; Q508-M512 WeakPolarHBondContact O-CG 3.21Å; Q508-M512 PolarHBondContact O-N 3.47Å; Q508-M512 VanDerWaalsContact O-N 3.12Å
509	L	89.8	Confident	90.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-44.3	176.1	-175.8	61.8	0	0	0	111.9	F372 M376 Y505 F506 K511 M512 Y513 W534 L666	F372-L509 HydrophobicContact CE2-CG 4.39Å; M376-L509 HydrophobicContact CE-CD2 3.88Å; Y505-L509 HydrophobicContact CE1-CB 4.47Å; Y505-L509 HydrophobicContact CE1-CD2 3.86Å; Y505-L509 WeakPolarHBondContact O-CB 3.3Å; Y505-L509 PolarHBondContact O-N 3.48Å; F506-L509 PolarHBondContact O-N 3.36Å; L509-K511 PolarHBondContact O-N 3.29Å; L509-M512 HydrophobicContact CB-CE 4.36Å; L509-M512 HydrophobicContact CD1-CE 4.04Å; L509-M512 PolarHBondContact O-N 3.03Å; L509-Y513 WeakPolarHBondContact O-CB 3.19Å; L509-Y513 PolarHBondContact O-N 2.92Å; L509-W534 HydrophobicContact CD1-CH2 3.98Å; L509-L666 HydrophobicContact CD2-CB 3.87Å; L509-L666 WeakPolarHBondContact CD2-O 3.3Å
510	E	92.4	Very high	90.6	Very high	61 Å²	61	38.9 Å²	38.9	29%	0.285	19%	0.19	S	C	.	.	H	α-helix	trans	-54.8	-49.8	175.9	-174.8	168.9	-158.8	0	0	111.7	F372 K373 F506 Q508 M512 Y513 M514	F372-E510 HydrophobicContact CD1-CB 4.42Å; F372-E510 HydrophobicContact CD1-CG 3.97Å; F372-E510 HydrophobicContact CE1-CB 3.46Å; F372-E510 VanDerWaalsContact CE1-CB 3.46Å; F372-E510 HydrophobicContact CE1-CG 3.45Å; F372-E510 VanDerWaalsContact CE1-CG 3.45Å; F372-E510 HydrophobicContact CZ-CB 3.63Å; F372-E510 HydrophobicContact CZ-CG 4.09Å; K373-E510 WeakPolarHBondContact CE-OE1 3.44Å; F506-E510 WeakPolarHBondContact O-CB 3.4Å; F506-E510 PolarHBondContact O-N 2.95Å; Q508-E510 VanDerWaalsContact C-N 3.32Å; Q508-E510 PolarHBondContact O-N 3.4Å; E510-M512 PolarHBondContact O-N 2.95Å; E510-Y513 PolarHBondContact O-N 3.45Å; E510-M514 HydrophobicContact CG-CE 3.78Å; E510-M514 HydrophobicContact CG-CG 4.41Å; E510-M514 VanDerWaalsContact O-CG 3.25Å; E510-M514 WeakPolarHBondContact O-CG 3.41Å; E510-M514 PolarHBondContact O-N 3.37Å
511	K	90.5	Very high	91	Very high	108 Å²	108	39.7 Å²	39.7	47%	0.47	19%	0.194	S	C	.	.	H	α-helix	trans	-60.9	-44.5	179.9	-67	174.6	179.6	-178.5	0	113.1	K507 Q508 L509 T515	K507-K511 WeakPolarHBondContact O-CG 3.06Å; K507-K511 PolarHBondContact O-N 3.05Å; Q508-K511 PolarHBondContact O-N 2.9Å; L509-K511 PolarHBondContact O-N 3.29Å; K511-T515 PolarHBondContact O-N 3.21Å; K511-T515 PolarHBondContact O-OG1 2.92Å; K511-T515 VanDerWaalsContact O-OG1 3.05Å
512	M	90.3	Very high	91.2	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.015	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-46.4	178	-65	-179.2	-63.1	0	0	110.5	Q508 L509 E510 M514 T515 Y516 W534 L538 P546 T548	Q508-M512 WeakPolarHBondContact O-CG 3.21Å; Q508-M512 PolarHBondContact O-N 3.47Å; Q508-M512 VanDerWaalsContact O-N 3.12Å; L509-M512 HydrophobicContact CB-CE 4.36Å; L509-M512 HydrophobicContact CD1-CE 4.04Å; L509-M512 PolarHBondContact O-N 3.03Å; E510-M512 PolarHBondContact O-N 2.95Å; M512-M514 PolarHBondContact O-N 2.95Å; M512-T515 WeakPolarHBondContact O-CB 3.49Å; M512-T515 PolarHBondContact O-N 3.15Å; M512-Y516 PolarHBondContact O-N 2.98Å; M512-Y516 VanDerWaalsContact O-N 3.1Å; M512-W534 HydrophobicContact CB-CH2 4.15Å; M512-W534 HydrophobicContact CB-CZ3 4.46Å; M512-L538 HydrophobicContact SD-CD2 3.57Å; M512-L538 VanDerWaalsContact SD-CD2 3.57Å; M512-P546 HydrophobicContact SD-CB 3.31Å; M512-P546 WeakPolarHBondContact SD-CB 3.36Å; M512-T548 HydrophobicContact CE-CG2 3.71Å; M512-T548 HydrophobicContact SD-CG2 3.77Å
513	Y	94.3	Very high	91.4	Very high	1 Å²	1	41 Å²	41	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-41.6	-178.5	-171.9	-86.1	0	0	0	112.3	F372 L509 E510 T515 Y516 A517 W534 C652 P653 L666	F372-Y513 HydrophobicContact CB-CD1 4.06Å; F372-Y513 HydrophobicContact CB-CE1 4.02Å; F372-Y513 AromaticContact CD2-CD1 3.23Å; F372-Y513 HydrophobicContact CD2-CD1 3.23Å; F372-Y513 HydrophobicContact CD2-CD2 4.21Å; F372-Y513 AromaticContact CD2-CE1 3.74Å; F372-Y513 HydrophobicContact CD2-CE1 3.74Å; F372-Y513 AromaticContact CD2-CG 3.51Å; F372-Y513 HydrophobicContact CD2-CG 3.51Å; F372-Y513 AromaticContact CE2-CD1 3.92Å; F372-Y513 HydrophobicContact CE2-CD1 3.92Å; F372-Y513 HydrophobicContact CE2-CD2 4.38Å; F372-Y513 AromaticContact CE2-CG 3.72Å; F372-Y513 HydrophobicContact CE2-CG 3.72Å; F372-Y513 AromaticContact CG-CD1 3.9Å; F372-Y513 HydrophobicContact CG-CD1 3.9Å; F372-Y513 HydrophobicContact CG-CE1 4.3Å; L509-Y513 WeakPolarHBondContact O-CB 3.19Å; L509-Y513 PolarHBondContact O-N 2.92Å; E510-Y513 PolarHBondContact O-N 3.45Å; Y513-T515 VanDerWaalsContact C-N 3.27Å; Y513-T515 PolarHBondContact O-N 3.18Å; Y513-Y516 HydrophobicContact CD2-CD1 4.32Å; Y513-Y516 HydrophobicContact CE2-CD1 4.14Å; Y513-Y516 HydrophobicContact CE2-CE1 4.39Å; Y513-Y516 PolarHBondContact O-N 2.9Å; Y513-A517 HydrophobicContact CD1-CB 4.08Å; Y513-A517 HydrophobicContact CE1-CB 3.69Å; Y513-A517 VanDerWaalsContact O-CB 3.28Å; Y513-A517 WeakPolarHBondContact O-CB 3.5Å; Y513-A517 PolarHBondContact O-N 2.97Å; Y513-W534 HydrophobicContact CD2-CZ3 4.42Å; Y513-C652 HydrophobicContact CE1-CB 4.48Å; Y513-C652 WeakPolarHBondContact OH-CB 3.32Å; Y513-C652 PolarHBondContact OH-SG 3.4Å; Y513-P653 WeakPolarHBondContact CE2-O 3.47Å; Y513-P653 VanDerWaalsContact OH-CD 3.24Å; Y513-P653 WeakPolarHBondContact OH-CD 3.43Å; Y513-P653 PolarHBondContact OH-O 3.37Å; Y513-L666 HydrophobicContact CD2-CD2 3.7Å; Y513-L666 HydrophobicContact CE2-CD2 3.73Å; Y513-L666 HydrophobicContact CG-CD2 4.49Å
514	M	95	Very high	91.9	Very high	18 Å²	18	44.7 Å²	44.7	9%	0.089	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-39.7	175.8	-67.8	-50.9	153.1	0	0	111.6	F365 I368 F372 E510 M512 A517 T518	F365-M514 HydrophobicContact CE2-CB 4.1Å; F365-M514 HydrophobicContact CE2-CG 4.4Å; F365-M514 HydrophobicContact CE2-SD 4.35Å; F365-M514 HydrophobicContact CZ-CB 4.06Å; F365-M514 HydrophobicContact CZ-CG 3.97Å; F365-M514 HydrophobicContact CZ-SD 4.08Å; I368-M514 HydrophobicContact CG2-SD 4Å; F372-M514 HydrophobicContact CB-CE 3.68Å; F372-M514 HydrophobicContact CD1-CE 3.52Å; F372-M514 HydrophobicContact CD2-CE 4.48Å; F372-M514 HydrophobicContact CE1-CE 4.3Å; F372-M514 HydrophobicContact CG-CE 3.63Å; E510-M514 HydrophobicContact CG-CE 3.78Å; E510-M514 HydrophobicContact CG-CG 4.41Å; E510-M514 VanDerWaalsContact O-CG 3.25Å; E510-M514 WeakPolarHBondContact O-CG 3.41Å; E510-M514 PolarHBondContact O-N 3.37Å; M512-M514 PolarHBondContact O-N 2.95Å; M514-A517 PolarHBondContact O-N 3.27Å; M514-T518 WeakPolarHBondContact O-CB 3.45Å; M514-T518 PolarHBondContact O-N 2.96Å; M514-T518 PolarHBondContact O-OG1 2.86Å
515	T	94.1	Very high	92.3	Very high	27 Å²	27	43.4 Å²	43.4	17%	0.166	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-47.3	176.5	-52.7	0	0	0	0	110.8	K511 M512 Y513 L519 Y536 A537	K511-T515 PolarHBondContact O-N 3.21Å; K511-T515 PolarHBondContact O-OG1 2.92Å; K511-T515 VanDerWaalsContact O-OG1 3.05Å; M512-T515 WeakPolarHBondContact O-CB 3.49Å; M512-T515 PolarHBondContact O-N 3.15Å; Y513-T515 VanDerWaalsContact C-N 3.27Å; Y513-T515 PolarHBondContact O-N 3.18Å; T515-L519 WeakPolarHBondContact O-CG 3.23Å; T515-L519 PolarHBondContact O-N 3.15Å; T515-Y536 HydrophobicContact CG2-CD1 4.32Å; T515-Y536 HydrophobicContact CG2-CE1 4.22Å; T515-A537 HydrophobicContact CG2-CB 4.02Å
516	Y	95.1	Very high	92.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-48.5	176	165	-112.9	0	0	0	112.7	M512 Y513 T518 L519 F520 F530 M533 W534 P653 P654 P656	M512-Y516 PolarHBondContact O-N 2.98Å; M512-Y516 VanDerWaalsContact O-N 3.1Å; Y513-Y516 HydrophobicContact CD2-CD1 4.32Å; Y513-Y516 HydrophobicContact CE2-CD1 4.14Å; Y513-Y516 HydrophobicContact CE2-CE1 4.39Å; Y513-Y516 PolarHBondContact O-N 2.9Å; Y516-T518 VanDerWaalsContact C-N 3.34Å; Y516-T518 PolarHBondContact O-N 2.76Å; Y516-L519 WeakPolarHBondContact O-CB 3.43Å; Y516-L519 PolarHBondContact O-N 3.08Å; Y516-F520 WeakPolarHBondContact O-CB 3.43Å; Y516-F520 PolarHBondContact O-N 3.09Å; Y516-F530 HydrophobicContact CE2-CB 4.44Å; Y516-M533 HydrophobicContact CD2-CB 3.84Å; Y516-M533 HydrophobicContact CE2-CB 4.14Å; Y516-W534 HydrophobicContact CD1-CE3 4.12Å; Y516-W534 HydrophobicContact CD1-CZ3 4.44Å; Y516-W534 HydrophobicContact CD2-CB 4.35Å; Y516-W534 HydrophobicContact CD2-CE3 4.39Å; Y516-W534 AromaticContact CG-CE3 3.81Å; Y516-W534 HydrophobicContact CG-CE3 3.81Å; Y516-W534 HydrophobicContact CG-CZ3 4.41Å; Y516-P653 HydrophobicContact CE1-CB 4.23Å; Y516-P654 PolarHBondContact OH-O 3.35Å; Y516-P656 HydrophobicContact CD2-CG 4.46Å; Y516-P656 HydrophobicContact CE1-CG 4.41Å; Y516-P656 HydrophobicContact CE2-CG 3.62Å; Y516-P656 WeakPolarHBondContact OH-CG 3.28Å
517	A	95.6	Very high	92.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.3	-32.6	-175.4	0	0	0	0	0	112.5	I368 Y513 M514 F520 N521	I368-A517 HydrophobicContact CG2-CB 3.42Å; I368-A517 VanDerWaalsContact CG2-CB 3.42Å; Y513-A517 HydrophobicContact CD1-CB 4.08Å; Y513-A517 HydrophobicContact CE1-CB 3.69Å; Y513-A517 VanDerWaalsContact O-CB 3.28Å; Y513-A517 WeakPolarHBondContact O-CB 3.5Å; Y513-A517 PolarHBondContact O-N 2.97Å; M514-A517 PolarHBondContact O-N 3.27Å; A517-F520 PolarHBondContact O-N 3.38Å; A517-N521 PolarHBondContact O-N 3.19Å; A517-N521 VanDerWaalsContact O-N 3.1Å
518	T	94.5	Very high	92.6	Very high	54 Å²	54	45.1 Å²	45.1	33%	0.331	21%	0.209	S	C	.	.	H	α-helix	trans	-61.6	-49.9	169.7	-61.8	0	0	0	0	110.6	M514 Y516 F520 N521 E522	M514-T518 WeakPolarHBondContact O-CB 3.45Å; M514-T518 PolarHBondContact O-N 2.96Å; M514-T518 PolarHBondContact O-OG1 2.86Å; Y516-T518 VanDerWaalsContact C-N 3.34Å; Y516-T518 PolarHBondContact O-N 2.76Å; T518-F520 VanDerWaalsContact C-N 3.27Å; T518-F520 PolarHBondContact O-N 3.14Å; T518-N521 PolarHBondContact O-N 3.24Å; T518-N521 VanDerWaalsContact O-N 3.16Å; T518-E522 WeakPolarHBondContact O-CG 3.24Å; T518-E522 PolarHBondContact O-N 3.25Å
519	L	94.7	Very high	92.8	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-37.5	175.8	-66.7	171.9	0	0	0	112.3	T515 Y516 N521 E522 K526 F527 M533 Y536	T515-L519 WeakPolarHBondContact O-CG 3.23Å; T515-L519 PolarHBondContact O-N 3.15Å; Y516-L519 WeakPolarHBondContact O-CB 3.43Å; Y516-L519 PolarHBondContact O-N 3.08Å; L519-N521 VanDerWaalsContact C-N 3.29Å; L519-N521 PolarHBondContact O-N 3.15Å; L519-E522 PolarHBondContact O-N 3.3Å; L519-K526 HydrophobicContact CD2-CD 3.7Å; L519-F527 HydrophobicContact CD1-CD2 4.37Å; L519-F527 HydrophobicContact CD1-CE2 4.09Å; L519-M533 HydrophobicContact CB-CB 4.33Å; L519-M533 HydrophobicContact CB-CG 4.25Å; L519-M533 HydrophobicContact CB-SD 4.2Å; L519-M533 HydrophobicContact CD1-CB 4.2Å; L519-Y536 HydrophobicContact CD1-CD1 3.62Å; L519-Y536 HydrophobicContact CD1-CE1 4.16Å
520	F	95.1	Very high	93.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.3	-30.8	177.8	-177.4	-86.7	0	0	0	112.9	N356 Y358 I361 Y516 A517 T518 F530 P653	N356-F520 PolarHBondContact ND2-O 3.17Å; Y358-F520 HydrophobicContact CD2-CE2 4.44Å; Y358-F520 HydrophobicContact CD2-CZ 4.15Å; Y358-F520 HydrophobicContact CG-CZ 4.32Å; I361-F520 HydrophobicContact CG2-CE1 4.18Å; Y516-F520 WeakPolarHBondContact O-CB 3.43Å; Y516-F520 PolarHBondContact O-N 3.09Å; A517-F520 PolarHBondContact O-N 3.38Å; T518-F520 VanDerWaalsContact C-N 3.27Å; T518-F520 PolarHBondContact O-N 3.14Å; F520-F530 AromaticContact CD2-CD1 3.66Å; F520-F530 HydrophobicContact CD2-CD1 3.66Å; F520-F530 AromaticContact CD2-CE1 3.66Å; F520-F530 HydrophobicContact CD2-CE1 3.66Å; F520-F530 AromaticContact CE2-CD1 3.85Å; F520-F530 HydrophobicContact CE2-CD1 3.85Å; F520-F530 AromaticContact CE2-CE1 3.57Å; F520-F530 HydrophobicContact CE2-CE1 3.57Å; F520-F530 HydrophobicContact CE2-CZ 4.17Å; F520-P653 HydrophobicContact CD1-CB 4.37Å; F520-P653 HydrophobicContact CD1-CG 3.75Å; F520-P653 HydrophobicContact CD2-CB 4.45Å; F520-P653 HydrophobicContact CE1-CB 4.31Å; F520-P653 HydrophobicContact CE1-CG 3.69Å; F520-P653 HydrophobicContact CE2-CB 4.39Å; F520-P653 HydrophobicContact CG-CB 4.45Å; F520-P653 HydrophobicContact CG-CG 4.27Å; F520-P653 HydrophobicContact CZ-CB 4.33Å; F520-P653 HydrophobicContact CZ-CG 4.16Å
521	N	94.7	Very high	93.2	Very high	26 Å²	26	41.8 Å²	41.8	14%	0.139	19%	0.193	C	C	.	.	H	α-helix	trans	-90.1	-10.2	-177.5	-159.5	47.9	0	0	0	113.4	G360 I361 F362 I368 A517 T518 L519	G360-N521 WeakPolarHBondContact CA-OD1 3.32Å; G360-N521 PolarHBondContact N-O 3.32Å; G360-N521 PolarHBondContact N-OD1 2.94Å; G360-N521 VanDerWaalsContact N-OD1 3.13Å; I361-N521 PolarHBondContact N-OD1 3.28Å; I361-N521 VanDerWaalsContact N-OD1 3.1Å; F362-N521 PolarHBondContact N-OD1 3.48Å; F362-N521 VanDerWaalsContact N-OD1 3.13Å; F362-N521 PolarHBondContact O-ND2 3.01Å; I368-N521 HydrophobicContact CD1-CB 4.16Å; A517-N521 PolarHBondContact O-N 3.19Å; A517-N521 VanDerWaalsContact O-N 3.1Å; T518-N521 PolarHBondContact O-N 3.24Å; T518-N521 VanDerWaalsContact O-N 3.16Å; L519-N521 VanDerWaalsContact C-N 3.29Å; L519-N521 PolarHBondContact O-N 3.15Å
522	E	93.8	Very high	93.3	Very high	49 Å²	49	37.7 Å²	37.7	23%	0.229	18%	0.176	C	C	.	.			trans	-65.5	139.8	179.5	-75.2	175.7	-176.7	0	0	112	N356 A359 T518 L519 E524 K526	N356-E522 VanDerWaalsContact CB-O 3.23Å; N356-E522 WeakPolarHBondContact CB-O 3.26Å; N356-E522 PolarHBondContact ND2-O 2.96Å; A359-E522 WeakPolarHBondContact CB-O 3.33Å; T518-E522 WeakPolarHBondContact O-CG 3.24Å; T518-E522 PolarHBondContact O-N 3.25Å; L519-E522 PolarHBondContact O-N 3.3Å; E522-E524 VanDerWaalsContact C-N 3.35Å; E522-E524 PolarHBondContact O-N 3.19Å; E522-K526 VanDerWaalsContact CD-NZ 3.26Å; E522-K526 IonicContact OE1-NZ 2.6Å; E522-K526 PolarHBondContact OE1-NZ 3.38Å; E522-K526 WeakPolarHBondContact OE2-CD 3.42Å; E522-K526 WeakPolarHBondContact OE2-CE 3.19Å; E522-K526 IonicContact OE2-NZ 3.35Å; E522-K526 PolarHBondContact OE2-NZ 3.41Å
523	R	92.6	Very high	93.5	Very high	218 Å²	218	37.6 Å²	37.6	82%	0.823	18%	0.176	S	C	*	.	S	Bend	trans	-62.2	-41.2	178.6	-69.7	-175.2	179.5	-174.5	0.4	112.7	N356 A359	N356-R523 WeakPolarHBondContact CB-O 3.46Å; N356-R523 PolarHBondContact N-O 2.95Å; A359-R523 VanDerWaalsContact CB-CA 3.46Å; A359-R523 HydrophobicContact CB-CB 4.35Å; A359-R523 HydrophobicContact CB-CG 4.15Å
524	E	94	Very high	93.5	Very high	137 Å²	137	37.6 Å²	37.6	64%	0.64	18%	0.176	S	C	*	.	B	Isolated β-bridge	trans	-101.1	130.4	176.5	-169.1	179.8	178	0	0	110.1	R354 E522 K526	R354-E524 HydrophobicContact CB-CG 4.14Å; R354-E524 CarbonylContact O-C 3.56Å; R354-E524 VanDerWaalsContact O-CA 3.3Å; R354-E524 WeakPolarHBondContact O-CA 2.94Å; E522-E524 VanDerWaalsContact C-N 3.35Å; E522-E524 PolarHBondContact O-N 3.19Å; E524-K526 PolarHBondContact O-N 3Å
525	M	92.6	Very high	93.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.175	C	C	.	.			trans	-79.1	100.1	179.4	-65.3	-174	70.5	0	0	110.9	R354 N356 F527 F530 M533 L1163	R354-M525 WeakPolarHBondContact CD-O 3.36Å; R354-M525 PolarHBondContact NH1-O 3.4Å; R354-M525 PolarHBondContact O-N 3.33Å; N356-M525 HydrophobicContact CB-CG 3.54Å; N356-M525 HydrophobicContact CB-SD 4.36Å; M525-F527 WeakPolarHBondContact CB-O 3.28Å; M525-F527 PolarHBondContact O-N 2.85Å; M525-F530 HydrophobicContact CE-CE1 4.38Å; M525-F530 HydrophobicContact CE-CZ 4.49Å; M525-M533 HydrophobicContact CB-CE 4.29Å; M525-M533 HydrophobicContact CE-CE 3.83Å; M525-M533 HydrophobicContact CG-CE 4.3Å; M525-L1163 HydrophobicContact CE-CD1 3.98Å; M525-L1163 HydrophobicContact CE-CD2 4.44Å; M525-L1163 HydrophobicContact CE-CG 4.33Å; M525-L1163 HydrophobicContact SD-CD1 4.03Å
526	K	90.3	Very high	93.2	Very high	125 Å²	125	40.8 Å²	40.8	54%	0.543	19%	0.185	S	C	.	.	S	Bend	trans	-55.2	-35.4	172.4	-71.7	176.3	-179.4	153.6	0	113	R354 L519 E522 E524	R354-K526 VanDerWaalsContact NH1-C 3.27Å; R354-K526 PolarHBondContact NH1-O 3.11Å; L519-K526 HydrophobicContact CD2-CD 3.7Å; E522-K526 VanDerWaalsContact CD-NZ 3.26Å; E522-K526 IonicContact OE1-NZ 2.6Å; E522-K526 PolarHBondContact OE1-NZ 3.38Å; E522-K526 WeakPolarHBondContact OE2-CD 3.42Å; E522-K526 WeakPolarHBondContact OE2-CE 3.19Å; E522-K526 IonicContact OE2-NZ 3.35Å; E522-K526 PolarHBondContact OE2-NZ 3.41Å; E524-K526 PolarHBondContact O-N 3Å
527	F	91.4	Very high	93	Very high	45 Å²	45	40.8 Å²	40.8	20%	0.197	19%	0.185	C	C	.	.	S	Bend	trans	-114.3	149.9	175.3	-61	-81.2	0	0	0	111.1	F321 R354 L519 M525 N529 H532 M533 Y536	F321-F527 HydrophobicContact CE1-CE1 4.42Å; F321-F527 HydrophobicContact CZ-CE1 4.21Å; R354-F527 VanDerWaalsContact NH1-C 3.28Å; L519-F527 HydrophobicContact CD1-CD2 4.37Å; L519-F527 HydrophobicContact CD1-CE2 4.09Å; M525-F527 WeakPolarHBondContact CB-O 3.28Å; M525-F527 PolarHBondContact O-N 2.85Å; F527-N529 VanDerWaalsContact C-N 3.26Å; F527-N529 PolarHBondContact O-N 3.48Å; F527-H532 HydrophobicContact CB-CB 3.7Å; F527-H532 HydrophobicContact CD1-CB 3.96Å; F527-H532 HydrophobicContact CG-CB 4.02Å; F527-M533 HydrophobicContact CB-CG 3.98Å; F527-M533 HydrophobicContact CD2-CG 3.99Å; F527-M533 HydrophobicContact CG-CG 4.39Å; F527-Y536 HydrophobicContact CE1-CD2 4.36Å; F527-Y536 HydrophobicContact CE2-CD1 4.04Å; F527-Y536 HydrophobicContact CE2-CD2 4.06Å; F527-Y536 AromaticContact CE2-CG 3.66Å; F527-Y536 HydrophobicContact CE2-CG 3.66Å; F527-Y536 HydrophobicContact CZ-CD1 4.26Å; F527-Y536 AromaticContact CZ-CD2 3.43Å; F527-Y536 HydrophobicContact CZ-CD2 3.43Å; F527-Y536 VanDerWaalsContact CZ-CD2 3.43Å; F527-Y536 HydrophobicContact CZ-CE2 4.14Å; F527-Y536 AromaticContact CZ-CG 3.48Å; F527-Y536 HydrophobicContact CZ-CG 3.48Å; F527-Y536 VanDerWaalsContact CZ-CG 3.48Å
528	S	86.9	Confident	92.7	Very high	42 Å²	42	41.1 Å²	41.1	29%	0.294	19%	0.187	S	C	.	.	S	Bend	trans	-69.6	-18.7	-175.8	51.6	0	0	0	0	114.7	H352 H532	H352-S528 PolarHBondContact NE2-O 3Å; H352-S528 VanDerWaalsContact NE2-O 3.14Å; S528-H532 PolarHBondContact OG-ND1 3.08Å
529	N	91.9	Very high	92.3	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.053	18%	0.184	C	C	.	.	S	Bend	trans	-150.1	163	-179.1	61.2	46.3	0	0	0	110.7	F527 R531 H532 M533 D704	F527-N529 VanDerWaalsContact C-N 3.26Å; F527-N529 PolarHBondContact O-N 3.48Å; N529-R531 VanDerWaalsContact C-N 3.32Å; N529-R531 PolarHBondContact O-N 3.26Å; N529-R531 PolarHBondContact OD1-N 3.39Å; N529-H532 VanDerWaalsContact CG-ND1 3.29Å; N529-H532 PolarHBondContact ND2-CE1 2.67Å; N529-H532 PolarHBondContact ND2-ND1 3.26Å; N529-H532 PolarHBondContact O-N 3.16Å; N529-H532 VanDerWaalsContact OD1-CB 3.32Å; N529-H532 WeakPolarHBondContact OD1-CB 3.47Å; N529-H532 PolarHBondContact OD1-N 3.44Å; N529-H532 PolarHBondContact OD1-ND1 2.83Å; N529-M533 PolarHBondContact O-N 3.07Å; N529-D704 HydrophobicContact CB-CB 4.41Å; N529-D704 PolarHBondContact ND2-OD2 3.37Å
530	F	95.4	Very high	91.9	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-68.1	-30.3	-177.7	-55.6	-66.2	0	0	0	112.9	Y358 Y516 F520 M525 H532 M533 W534 P656 N707 S711 L1163	Y358-F530 HydrophobicContact CD2-CE1 4.46Å; Y358-F530 HydrophobicContact CD2-CE2 4.48Å; Y358-F530 AromaticContact CD2-CZ 3.73Å; Y358-F530 HydrophobicContact CD2-CZ 3.73Å; Y358-F530 HydrophobicContact CE2-CE2 4.2Å; Y358-F530 AromaticContact CE2-CZ 3.86Å; Y358-F530 HydrophobicContact CE2-CZ 3.86Å; Y516-F530 HydrophobicContact CE2-CB 4.44Å; F520-F530 AromaticContact CD2-CD1 3.66Å; F520-F530 HydrophobicContact CD2-CD1 3.66Å; F520-F530 AromaticContact CD2-CE1 3.66Å; F520-F530 HydrophobicContact CD2-CE1 3.66Å; F520-F530 AromaticContact CE2-CD1 3.85Å; F520-F530 HydrophobicContact CE2-CD1 3.85Å; F520-F530 AromaticContact CE2-CE1 3.57Å; F520-F530 HydrophobicContact CE2-CE1 3.57Å; F520-F530 HydrophobicContact CE2-CZ 4.17Å; M525-F530 HydrophobicContact CE-CE1 4.38Å; M525-F530 HydrophobicContact CE-CZ 4.49Å; F530-H532 PolarHBondContact O-N 3.38Å; F530-M533 HydrophobicContact CD1-CE 4.43Å; F530-M533 HydrophobicContact CD1-SD 3.84Å; F530-M533 HydrophobicContact CE1-SD 4.47Å; F530-M533 WeakPolarHBondContact O-CB 3.26Å; F530-M533 PolarHBondContact O-N 2.96Å; F530-W534 PolarHBondContact O-N 2.9Å; F530-W534 VanDerWaalsContact O-N 3.07Å; F530-P656 HydrophobicContact CB-CG 4.09Å; F530-N707 HydrophobicContact CB-CB 4.41Å; F530-N707 HydrophobicContact CD2-CB 4.5Å; F530-S711 WeakPolarHBondContact CD2-OG 3.22Å; F530-S711 WeakPolarHBondContact CE2-OG 3.23Å; F530-L1163 HydrophobicContact CD2-CD2 4.46Å; F530-L1163 HydrophobicContact CE2-CD1 3.84Å; F530-L1163 HydrophobicContact CE2-CD2 4.08Å; F530-L1163 HydrophobicContact CZ-CD1 3.86Å
531	R	93.9	Very high	91.2	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-58.6	-47.1	174.5	-176.6	177.6	49.3	87	0.1	111.1	E338 N529 M533 W534 L535 W657 T658 D704	E338-R531 VanDerWaalsContact CD-NH2 3.29Å; E338-R531 IonicContact OE1-CZ 2.73Å; E338-R531 VanDerWaalsContact OE1-CZ 3.24Å; E338-R531 IonicContact OE1-NH1 2.77Å; E338-R531 PolarHBondContact OE1-NH1 2.98Å; E338-R531 IonicContact OE1-NH2 3.68Å; E338-R531 PolarHBondContact OE1-NH2 3.48Å; E338-R531 IonicContact OE2-NH2 3.07Å; E338-R531 PolarHBondContact OE2-NH2 3.23Å; N529-R531 VanDerWaalsContact C-N 3.32Å; N529-R531 PolarHBondContact O-N 3.26Å; N529-R531 PolarHBondContact OD1-N 3.39Å; R531-M533 VanDerWaalsContact C-N 3.32Å; R531-M533 PolarHBondContact O-N 2.93Å; R531-W534 PolarHBondContact O-N 3.42Å; R531-W534 VanDerWaalsContact O-N 3.16Å; R531-L535 HydrophobicContact CG-CD1 4.13Å; R531-L535 HydrophobicContact CG-CG 4.42Å; R531-L535 WeakPolarHBondContact O-CG 3.45Å; R531-L535 PolarHBondContact O-N 2.77Å; R531-W657 WeakPolarHBondContact CD-O 3.47Å; R531-W657 WeakPolarHBondContact CG-O 3.34Å; R531-T658 HydrophobicContact CG-CG2 3.9Å; R531-D704 WeakPolarHBondContact CB-OD1 3.45Å; R531-D704 IonicContact CZ-OD1 3.12Å; R531-D704 IonicContact CZ-OD2 3.83Å; R531-D704 IonicContact NE-OD1 3.61Å; R531-D704 PolarHBondContact NE-OD1 2.93Å; R531-D704 IonicContact NE-OD2 3.9Å; R531-D704 IonicContact NH2-OD1 3.56Å; R531-D704 IonicContact NH2-OD2 3.38Å; R531-D704 PolarHBondContact NH2-OD2 3.02Å
532	H	93.4	Very high	90.4	Very high	23 Å²	23	46 Å²	46	11%	0.106	21%	0.205	C	C	.	.	H	α-helix	trans	-63.4	-35.1	176.5	-72.2	141.1	0	0	0	112.9	F321 E338 F527 S528 N529 F530 W534 L535 Y536	F321-H532 AromaticContact CD1-CD2 3.87Å; F321-H532 HydrophobicContact CE1-CB 4.24Å; F321-H532 AromaticContact CE1-CD2 3.86Å; E338-H532 IonicContact OE1-CE1 2.66Å; E338-H532 IonicContact OE1-NE2 3.13Å; E338-H532 PolarHBondContact OE1-NE2 3.09Å; E338-H532 VanDerWaalsContact OE1-NE2 3.1Å; E338-H532 IonicContact OE2-CE1 2.98Å; E338-H532 IonicContact OE2-NE2 2.81Å; F527-H532 HydrophobicContact CB-CB 3.7Å; F527-H532 HydrophobicContact CD1-CB 3.96Å; F527-H532 HydrophobicContact CG-CB 4.02Å; S528-H532 PolarHBondContact OG-ND1 3.08Å; N529-H532 VanDerWaalsContact CG-ND1 3.29Å; N529-H532 PolarHBondContact ND2-CE1 2.67Å; N529-H532 PolarHBondContact ND2-ND1 3.26Å; N529-H532 PolarHBondContact O-N 3.16Å; N529-H532 VanDerWaalsContact OD1-CB 3.32Å; N529-H532 WeakPolarHBondContact OD1-CB 3.47Å; N529-H532 PolarHBondContact OD1-N 3.44Å; N529-H532 PolarHBondContact OD1-ND1 2.83Å; F530-H532 PolarHBondContact O-N 3.38Å; H532-W534 VanDerWaalsContact C-N 3.32Å; H532-L535 PolarHBondContact O-N 3.13Å; H532-Y536 VanDerWaalsContact O-CB 3.3Å; H532-Y536 WeakPolarHBondContact O-CB 3.33Å; H532-Y536 PolarHBondContact O-N 3.3Å
533	M	94.5	Very high	89.3	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-41.6	173.3	-61.1	176.1	176.4	0	0	111.3	Y516 L519 M525 F527 N529 F530 R531 A537	Y516-M533 HydrophobicContact CD2-CB 3.84Å; Y516-M533 HydrophobicContact CE2-CB 4.14Å; L519-M533 HydrophobicContact CB-CB 4.33Å; L519-M533 HydrophobicContact CB-CG 4.25Å; L519-M533 HydrophobicContact CB-SD 4.2Å; L519-M533 HydrophobicContact CD1-CB 4.2Å; M525-M533 HydrophobicContact CB-CE 4.29Å; M525-M533 HydrophobicContact CE-CE 3.83Å; M525-M533 HydrophobicContact CG-CE 4.3Å; F527-M533 HydrophobicContact CB-CG 3.98Å; F527-M533 HydrophobicContact CD2-CG 3.99Å; F527-M533 HydrophobicContact CG-CG 4.39Å; N529-M533 PolarHBondContact O-N 3.07Å; F530-M533 HydrophobicContact CD1-CE 4.43Å; F530-M533 HydrophobicContact CD1-SD 3.84Å; F530-M533 HydrophobicContact CE1-SD 4.47Å; F530-M533 WeakPolarHBondContact O-CB 3.26Å; F530-M533 PolarHBondContact O-N 2.96Å; R531-M533 VanDerWaalsContact C-N 3.32Å; R531-M533 PolarHBondContact O-N 2.93Å; M533-A537 PolarHBondContact O-N 3.37Å
534	W	93.7	Very high	88.3	Confident	1 Å²	1	41.3 Å²	41.3	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-69.4	-45.6	175.8	-176.4	-105.8	0	0	0	112.4	L509 M512 Y513 Y516 F530 R531 H532 Y536 A537 L538 T548 V655 P656	L509-W534 HydrophobicContact CD1-CH2 3.98Å; M512-W534 HydrophobicContact CB-CH2 4.15Å; M512-W534 HydrophobicContact CB-CZ3 4.46Å; Y513-W534 HydrophobicContact CD2-CZ3 4.42Å; Y516-W534 HydrophobicContact CD1-CE3 4.12Å; Y516-W534 HydrophobicContact CD1-CZ3 4.44Å; Y516-W534 HydrophobicContact CD2-CB 4.35Å; Y516-W534 HydrophobicContact CD2-CE3 4.39Å; Y516-W534 AromaticContact CG-CE3 3.81Å; Y516-W534 HydrophobicContact CG-CE3 3.81Å; Y516-W534 HydrophobicContact CG-CZ3 4.41Å; F530-W534 PolarHBondContact O-N 2.9Å; F530-W534 VanDerWaalsContact O-N 3.07Å; R531-W534 PolarHBondContact O-N 3.42Å; R531-W534 VanDerWaalsContact O-N 3.16Å; H532-W534 VanDerWaalsContact C-N 3.32Å; W534-Y536 PolarHBondContact O-N 3.11Å; W534-A537 WeakPolarHBondContact O-CA 3.4Å; W534-A537 WeakPolarHBondContact O-CB 3.41Å; W534-A537 PolarHBondContact O-N 3.3Å; W534-L538 HydrophobicContact CZ2-CD2 4.16Å; W534-L538 WeakPolarHBondContact O-CG 3.45Å; W534-L538 PolarHBondContact O-N 3.41Å; W534-T548 HydrophobicContact CZ2-CG2 4.32Å; W534-V655 HydrophobicContact CD2-CG1 4.06Å; W534-V655 HydrophobicContact CE3-CG1 4.43Å; W534-V655 HydrophobicContact CH2-CG1 4.2Å; W534-V655 HydrophobicContact CH2-CG2 4.34Å; W534-V655 HydrophobicContact CZ2-CG1 3.78Å; W534-P656 HydrophobicContact CB-CB 4.31Å; W534-P656 HydrophobicContact CB-CG 3.93Å
535	L	91.2	Very high	86.9	Confident	14 Å²	14	34.9 Å²	34.9	7%	0.073	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-37.1	175.5	-66.7	174.5	0	0	0	111.8	Y320 F321 R531 H532 L538 Q539 T658	Y320-L535 HydrophobicContact CD1-CD2 4.49Å; F321-L535 HydrophobicContact CE1-CB 4.23Å; F321-L535 HydrophobicContact CZ-CB 4.29Å; R531-L535 HydrophobicContact CG-CD1 4.13Å; R531-L535 HydrophobicContact CG-CG 4.42Å; R531-L535 WeakPolarHBondContact O-CG 3.45Å; R531-L535 PolarHBondContact O-N 2.77Å; H532-L535 PolarHBondContact O-N 3.13Å; L535-L538 HydrophobicContact CD2-CD1 4.43Å; L535-L538 PolarHBondContact O-N 3.42Å; L535-Q539 WeakPolarHBondContact O-CB 3.29Å; L535-Q539 PolarHBondContact O-N 3.24Å; L535-T658 HydrophobicContact CD2-CG2 3.66Å; L535-T658 HydrophobicContact CG-CG2 4.04Å
536	Y	92	Very high	85.4	Confident	98 Å²	98	35.4 Å²	35.4	38%	0.384	17%	0.17	S	C	.	.	H	α-helix	trans	-62.8	-44.8	171.3	176.7	-98.4	0	0	0	112	T515 L519 F527 H532 W534 L538 Q539 S540	T515-Y536 HydrophobicContact CG2-CD1 4.32Å; T515-Y536 HydrophobicContact CG2-CE1 4.22Å; L519-Y536 HydrophobicContact CD1-CD1 3.62Å; L519-Y536 HydrophobicContact CD1-CE1 4.16Å; F527-Y536 HydrophobicContact CE1-CD2 4.36Å; F527-Y536 HydrophobicContact CE2-CD1 4.04Å; F527-Y536 HydrophobicContact CE2-CD2 4.06Å; F527-Y536 AromaticContact CE2-CG 3.66Å; F527-Y536 HydrophobicContact CE2-CG 3.66Å; F527-Y536 HydrophobicContact CZ-CD1 4.26Å; F527-Y536 AromaticContact CZ-CD2 3.43Å; F527-Y536 HydrophobicContact CZ-CD2 3.43Å; F527-Y536 VanDerWaalsContact CZ-CD2 3.43Å; F527-Y536 HydrophobicContact CZ-CE2 4.14Å; F527-Y536 AromaticContact CZ-CG 3.48Å; F527-Y536 HydrophobicContact CZ-CG 3.48Å; F527-Y536 VanDerWaalsContact CZ-CG 3.48Å; H532-Y536 VanDerWaalsContact O-CB 3.3Å; H532-Y536 WeakPolarHBondContact O-CB 3.33Å; H532-Y536 PolarHBondContact O-N 3.3Å; W534-Y536 PolarHBondContact O-N 3.11Å; Y536-L538 VanDerWaalsContact C-N 3.26Å; Y536-L538 PolarHBondContact O-N 2.92Å; Y536-Q539 PolarHBondContact O-N 3.36Å; Y536-S540 WeakPolarHBondContact O-CB 3.43Å; Y536-S540 PolarHBondContact O-N 2.76Å; Y536-S540 PolarHBondContact O-OG 2.61Å
537	A	91.4	Very high	84.1	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.3	-39.6	176.1	0	0	0	0	0	111.6	T515 M533 W534 S540	T515-A537 HydrophobicContact CG2-CB 4.02Å; M533-A537 PolarHBondContact O-N 3.37Å; W534-A537 WeakPolarHBondContact O-CA 3.4Å; W534-A537 WeakPolarHBondContact O-CB 3.41Å; W534-A537 PolarHBondContact O-N 3.3Å; A537-S540 PolarHBondContact O-OG 3.02Å
538	L	87.8	Confident	82.6	Confident	7 Å²	7	28.2 Å²	28.2	4%	0.037	14%	0.14	C	C	.	.	H	α-helix	trans	-66.2	-47.1	173.2	-59.3	-179.2	0	0	0	112.4	Y320 M512 W534 L535 Y536 S540 R541 M542 P546 T548	Y320-L538 HydrophobicContact CD1-CB 4.46Å; Y320-L538 HydrophobicContact CD1-CD1 4.26Å; Y320-L538 HydrophobicContact CD2-CB 3.91Å; Y320-L538 HydrophobicContact CE1-CB 4.33Å; Y320-L538 HydrophobicContact CE1-CD1 4.12Å; Y320-L538 HydrophobicContact CE2-CB 3.77Å; Y320-L538 HydrophobicContact CG-CB 4.26Å; M512-L538 HydrophobicContact SD-CD2 3.57Å; M512-L538 VanDerWaalsContact SD-CD2 3.57Å; W534-L538 HydrophobicContact CZ2-CD2 4.16Å; W534-L538 WeakPolarHBondContact O-CG 3.45Å; W534-L538 PolarHBondContact O-N 3.41Å; L535-L538 HydrophobicContact CD2-CD1 4.43Å; L535-L538 PolarHBondContact O-N 3.42Å; Y536-L538 VanDerWaalsContact C-N 3.26Å; Y536-L538 PolarHBondContact O-N 2.92Å; L538-S540 VanDerWaalsContact C-N 3.34Å; L538-S540 PolarHBondContact O-N 3Å; L538-R541 CarbonylContact O-C 3.54Å; L538-R541 PolarHBondContact O-N 3.44Å; L538-M542 PolarHBondContact O-N 3.34Å; L538-P546 HydrophobicContact CD2-CB 4.21Å; L538-T548 HydrophobicContact CD2-CG2 3.4Å; L538-T548 VanDerWaalsContact CD2-CG2 3.4Å
539	Q	86.5	Confident	81.4	Confident	56 Å²	56	28.9 Å²	28.9	26%	0.262	14%	0.139	S	C	.	.	H	α-helix	trans	-61	-42.6	-179.4	-170	68.2	53.2	0	0	111.9	L318 Y320 F321 L535 Y536 R541 M542	L318-Q539 PolarHBondContact O-NE2 3.25Å; L318-Q539 VanDerWaalsContact O-NE2 3.07Å; L318-Q539 PolarHBondContact O-OE1 3.21Å; Y320-Q539 HydrophobicContact CD2-CB 4.17Å; F321-Q539 HydrophobicContact CE2-CB 4.31Å; L535-Q539 WeakPolarHBondContact O-CB 3.29Å; L535-Q539 PolarHBondContact O-N 3.24Å; Y536-Q539 PolarHBondContact O-N 3.36Å; Q539-R541 PolarHBondContact O-N 3.29Å; Q539-R541 VanDerWaalsContact O-N 3.12Å; Q539-M542 WeakPolarHBondContact O-CB 3.44Å; Q539-M542 PolarHBondContact O-N 3.2Å
540	S	85.7	Confident	80.2	Confident	34 Å²	34	28.9 Å²	28.9	24%	0.238	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-5.8	-178.8	71	0	0	0	0	114.8	Y536 A537 L538	Y536-S540 WeakPolarHBondContact O-CB 3.43Å; Y536-S540 PolarHBondContact O-N 2.76Å; Y536-S540 PolarHBondContact O-OG 2.61Å; A537-S540 PolarHBondContact O-OG 3.02Å; L538-S540 VanDerWaalsContact C-N 3.34Å; L538-S540 PolarHBondContact O-N 3Å
541	R	81.5	Confident	78.9	Confident	85 Å²	85	32 Å²	32	32%	0.321	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.5	16.6	-179	-60.1	-67.3	-179.7	-111.1	-0.2	112	L538 Q539 D543 Q544	L538-R541 CarbonylContact O-C 3.54Å; L538-R541 PolarHBondContact O-N 3.44Å; Q539-R541 PolarHBondContact O-N 3.29Å; Q539-R541 VanDerWaalsContact O-N 3.12Å; R541-D543 VanDerWaalsContact C-N 3.25Å; R541-D543 WeakPolarHBondContact CA-OD1 3.49Å; R541-D543 PolarHBondContact O-N 3.24Å; R541-Q544 WeakPolarHBondContact O-CB 3.32Å; R541-Q544 PolarHBondContact O-N 2.65Å
542	M	77.8	Confident	78.1	Confident	16 Å²	16	34.7 Å²	34.7	8%	0.079	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-61.9	-34.1	-174.7	-176.6	170.5	-171.5	0	0	113.1	L291 L300 L318 Y320 L538 Q539 Q544 G545	L291-M542 HydrophobicContact CD2-CE 3.36Å; L291-M542 HydrophobicContact CD2-SD 4.33Å; L300-M542 HydrophobicContact CD1-CE 4.44Å; L300-M542 HydrophobicContact CD2-CE 3.51Å; L300-M542 HydrophobicContact CD2-CG 3.71Å; L300-M542 HydrophobicContact CD2-SD 4.35Å; L318-M542 HydrophobicContact CB-CE 3.38Å; L318-M542 HydrophobicContact CB-SD 3.82Å; L318-M542 HydrophobicContact CD1-CE 4.03Å; L318-M542 HydrophobicContact CD2-CE 3.51Å; L318-M542 HydrophobicContact CG-CE 3.77Å; Y320-M542 HydrophobicContact CE2-SD 4.42Å; L538-M542 PolarHBondContact O-N 3.34Å; Q539-M542 WeakPolarHBondContact O-CB 3.44Å; Q539-M542 PolarHBondContact O-N 3.2Å; M542-Q544 PolarHBondContact O-N 3.09Å; M542-G545 PolarHBondContact O-N 3.05Å
543	D	70.3	Confident	77.6	Confident	120 Å²	120	34.9 Å²	34.9	64%	0.642	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-56.6	-29.5	172.9	63.1	-45.3	0	0	0	112.9	R541 G545	R541-D543 VanDerWaalsContact C-N 3.25Å; R541-D543 WeakPolarHBondContact CA-OD1 3.49Å; R541-D543 PolarHBondContact O-N 3.24Å; D543-G545 VanDerWaalsContact C-N 3.33Å
544	Q	71.5	Confident	76.9	Confident	49 Å²	49	37.9 Å²	37.9	23%	0.229	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-85.1	-5.2	178.2	-59	176.8	23.1	0	0	113	E297 R541 M542	E297-Q544 WeakPolarHBondContact CA-O 3.48Å; R541-Q544 WeakPolarHBondContact O-CB 3.32Å; R541-Q544 PolarHBondContact O-N 2.65Å; M542-Q544 PolarHBondContact O-N 3.09Å
545	G	64.8	Low	76.6	Confident	2 Å²	2	38.1 Å²	38.1	2%	0.021	19%	0.19	C	C	.	.			trans	61.7	71.3	-175.4	0	0	0	0	0	111.3	M542 D543 N547	M542-G545 PolarHBondContact O-N 3.05Å; D543-G545 VanDerWaalsContact C-N 3.33Å; G545-N547 PolarHBondContact O-N 2.64Å
546	P	61	Low	76.2	Confident	12 Å²	12	37.8 Å²	37.8	8%	0.078	19%	0.189	C	C	.	.			trans	-60.5	105	-173.1	25.5	-33.3	0	0	0	109.1	Y320 M512 L538 T548	Y320-P546 WeakPolarHBondContact OH-CG 3.3Å; M512-P546 HydrophobicContact SD-CB 3.31Å; M512-P546 WeakPolarHBondContact SD-CB 3.36Å; L538-P546 HydrophobicContact CD2-CB 4.21Å; P546-T548 HydrophobicContact CB-CG2 4.47Å; P546-T548 PolarHBondContact O-N 2.68Å
547	N	62.5	Low	75.7	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.021	17%	0.171	C	C	.	.			trans	-78.2	63	-174.5	-160.4	-4.1	0	0	0	109.5	Y505 G545 H550	Y505-N547 WeakPolarHBondContact CD2-O 3.37Å; Y505-N547 WeakPolarHBondContact CE2-O 3.39Å; G545-N547 PolarHBondContact O-N 2.64Å; N547-H550 VanDerWaalsContact CG-ND1 3.31Å; N547-H550 PolarHBondContact ND2-CE1 3.23Å; N547-H550 PolarHBondContact ND2-ND1 2.91Å; N547-H550 PolarHBondContact O-CE1 2.81Å; N547-H550 PolarHBondContact OD1-CE1 3.41Å; N547-H550 PolarHBondContact OD1-ND1 3.44Å
548	T	61.2	Low	75.3	Confident	15 Å²	15	35.7 Å²	35.7	9%	0.092	19%	0.187	C	C	.	.			trans	-77.4	-26.7	-177.9	48	0	0	0	0	112.4	M512 W534 L538 P546 R669	M512-T548 HydrophobicContact CE-CG2 3.71Å; M512-T548 HydrophobicContact SD-CG2 3.77Å; W534-T548 HydrophobicContact CZ2-CG2 4.32Å; L538-T548 HydrophobicContact CD2-CG2 3.4Å; L538-T548 VanDerWaalsContact CD2-CG2 3.4Å; P546-T548 HydrophobicContact CB-CG2 4.47Å; P546-T548 PolarHBondContact O-N 2.68Å; T548-R669 PolarHBondContact O-NH2 3.36Å
549	Q	61	Low	75.5	Confident	56 Å²	56	35.4 Å²	35.4	26%	0.262	19%	0.185	S	C	.	.			trans	-123.7	107	-176.5	-63.7	-177.6	-2.8	0	0	110.4	S294 N659	S294-Q549 PolarHBondContact OG-O 2.77Å; Q549-N659 PolarHBondContact NE2-ND2 3.07Å; Q549-N659 VanDerWaalsContact NE2-ND2 3.13Å
550	H	68	Low	75.7	Confident	11 Å²	11	32.9 Å²	32.9	5%	0.051	17%	0.173	C	C	.	.			trans	-90	117.2	164.3	-49	-42.5	0	0	0	108.7	I503 Y505 N547 W552	I503-H550 WeakPolarHBondContact CD1-CE1 3.48Å; I503-H550 WeakPolarHBondContact CD1-NE2 3.25Å; Y505-H550 AromaticContact CD2-CE1 3.53Å; Y505-H550 AromaticContact CD2-NE2 3.18Å; Y505-H550 WeakPolarHBondContact CD2-NE2 3.43Å; Y505-H550 AromaticContact CE2-NE2 3.8Å; Y505-H550 AromaticContact CG-NE2 3.41Å; N547-H550 VanDerWaalsContact CG-ND1 3.31Å; N547-H550 PolarHBondContact ND2-CE1 3.23Å; N547-H550 PolarHBondContact ND2-ND1 2.91Å; N547-H550 PolarHBondContact O-CE1 2.81Å; N547-H550 PolarHBondContact OD1-CE1 3.41Å; N547-H550 PolarHBondContact OD1-ND1 3.44Å; H550-W552 HydrophobicContact CB-CD2 3.99Å; H550-W552 HydrophobicContact CB-CE3 4.3Å; H550-W552 HydrophobicContact CB-CG 4.4Å; H550-W552 HydrophobicContact CB-CH2 4.38Å; H550-W552 HydrophobicContact CB-CZ2 4.12Å; H550-W552 HydrophobicContact CB-CZ3 4.49Å; H550-W552 AromaticContact CD2-CH2 3.89Å; H550-W552 PolarHBondContact O-N 3.1Å
551	N	66.5	Low	75.9	Confident	65 Å²	65	32.4 Å²	32.4	35%	0.348	17%	0.167	S	C	.	.			trans	-78.5	41.6	-179.1	-69.2	-6.6	0	0	0	112.4	K188	K188-N551 PolarHBondContact NZ-O 3.26Å
552	W	78.4	Confident	76.5	Confident	60 Å²	60	30.5 Å²	30.5	23%	0.227	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-75.5	139.8	175.4	-57.7	-27.2	0	0	0	110.6	T496 R499 Q500 I503 H550	T496-W552 HydrophobicContact CG2-CE3 4.32Å; T496-W552 HydrophobicContact CG2-CZ3 4.14Å; R499-W552 HydrophobicContact CB-CH2 3.27Å; R499-W552 HydrophobicContact CB-CZ2 3.83Å; R499-W552 HydrophobicContact CB-CZ3 3.65Å; R499-W552 HydrophobicContact CG-CH2 4.49Å; R499-W552 VanDerWaalsContact CZ-CD2 3.47Å; R499-W552 VanDerWaalsContact CZ-CE2 3.49Å; R499-W552 VanDerWaalsContact NH2-NE1 3.11Å; Q500-W552 HydrophobicContact CG-CH2 3.95Å; Q500-W552 HydrophobicContact CG-CZ3 3.92Å; I503-W552 HydrophobicContact CD1-CH2 4.09Å; I503-W552 HydrophobicContact CD1-CZ2 3.95Å; H550-W552 HydrophobicContact CB-CD2 3.99Å; H550-W552 HydrophobicContact CB-CE3 4.3Å; H550-W552 HydrophobicContact CB-CG 4.4Å; H550-W552 HydrophobicContact CB-CH2 4.38Å; H550-W552 HydrophobicContact CB-CZ2 4.12Å; H550-W552 HydrophobicContact CB-CZ3 4.49Å; H550-W552 AromaticContact CD2-CH2 3.89Å; H550-W552 PolarHBondContact O-N 3.1Å
553	T	81.8	Confident	77.4	Confident	27 Å²	27	29.8 Å²	29.8	17%	0.166	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-76.3	125.6	178.2	-40.4	0	0	0	0	108.8	I139 A142 D146 K188	I139-T553 HydrophobicContact CG2-CG2 4.49Å; A142-T553 HydrophobicContact CB-CG2 3.86Å; A142-T553 WeakPolarHBondContact CB-OG1 3.46Å; D146-T553 VanDerWaalsContact OD2-CB 3.23Å; D146-T553 WeakPolarHBondContact OD2-CB 3.28Å; D146-T553 PolarHBondContact OD2-N 3.21Å; D146-T553 PolarHBondContact OD2-OG1 2.9Å; K188-T553 WeakPolarHBondContact CE-OG1 3.39Å; K188-T553 PolarHBondContact NZ-OG1 3.14Å
554	S	79.9	Confident	78.6	Confident	63 Å²	63	24 Å²	24	44%	0.441	13%	0.128	S	C	.	.	P	Polyproline II helix	trans	-61.7	139	165.5	179.6	0	0	0	0	109.8	E492	E492-S554 VanDerWaalsContact OE1-CA 3.26Å; E492-S554 WeakPolarHBondContact OE1-CA 3.23Å; E492-S554 PolarHBondContact OE1-OG 3.05Å
555	W	87	Confident	79.7	Confident	6 Å²	6	26.5 Å²	26.5	2%	0.023	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-75.8	125.8	-175.5	-61.2	-14.2	0	0	0	110.3	F449 I452 V491 E492 C495 I559 L560 I563	F449-W555 HydrophobicContact CB-CH2 4.34Å; F449-W555 AromaticContact CD1-CD2 3.86Å; F449-W555 HydrophobicContact CD1-CD2 3.86Å; F449-W555 AromaticContact CD1-CE2 3.55Å; F449-W555 HydrophobicContact CD1-CE3 4.14Å; F449-W555 AromaticContact CD1-CH2 3.89Å; F449-W555 HydrophobicContact CD1-CH2 3.89Å; F449-W555 AromaticContact CD1-CZ2 3.58Å; F449-W555 HydrophobicContact CD1-CZ2 3.58Å; F449-W555 HydrophobicContact CD1-CZ3 4.16Å; F449-W555 HydrophobicContact CE1-CD2 4.03Å; F449-W555 AromaticContact CE1-CE2 3.78Å; F449-W555 HydrophobicContact CE1-CG 4.23Å; F449-W555 HydrophobicContact CE1-CZ2 4.25Å; F449-W555 AromaticContact CE1-NE1 3.76Å; I452-W555 HydrophobicContact CD1-CH2 4.46Å; I452-W555 HydrophobicContact CD1-CZ2 4.1Å; V491-W555 HydrophobicContact CB-CZ3 4.46Å; V491-W555 HydrophobicContact CG1-CH2 4.21Å; V491-W555 HydrophobicContact CG1-CZ3 3.95Å; E492-W555 HydrophobicContact CB-CD2 4.15Å; E492-W555 HydrophobicContact CB-CE3 3.52Å; E492-W555 HydrophobicContact CB-CH2 4.43Å; E492-W555 HydrophobicContact CB-CZ3 3.68Å; E492-W555 HydrophobicContact CG-CD2 3.89Å; E492-W555 HydrophobicContact CG-CE3 3.8Å; E492-W555 HydrophobicContact CG-CG 4.27Å; E492-W555 HydrophobicContact CG-CZ3 4.25Å; E492-W555 PolarHBondContact OE1-N 3.13Å; C495-W555 HydrophobicContact CB-CH2 3.96Å; C495-W555 HydrophobicContact CB-CZ2 4.34Å; W555-I559 HydrophobicContact CB-CB 4.24Å; W555-I559 HydrophobicContact CB-CG2 3.97Å; W555-I559 HydrophobicContact CD2-CG2 4.37Å; W555-I559 HydrophobicContact CG-CG2 4.11Å; W555-L560 HydrophobicContact CB-CD2 3.91Å; W555-L560 HydrophobicContact CB-CG 4.11Å; W555-L560 HydrophobicContact CE3-CD2 4Å; W555-L560 WeakPolarHBondContact O-CD1 3.37Å; W555-L560 WeakPolarHBondContact O-CG 3.33Å; W555-I563 HydrophobicContact CD2-CD1 4.35Å; W555-I563 HydrophobicContact CE3-CD1 3.48Å; W555-I563 VanDerWaalsContact CE3-CD1 3.48Å; W555-I563 HydrophobicContact CH2-CD1 4.29Å; W555-I563 HydrophobicContact CZ3-CD1 3.44Å; W555-I563 VanDerWaalsContact CZ3-CD1 3.44Å
556	P	83.1	Confident	81.3	Confident	8 Å²	8	27.2 Å²	27.2	5%	0.052	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-63.3	152.3	174.7	26.1	-34.8	0	0	0	110.9	I139 K140 T558 I559 L560 T684	I139-P556 HydrophobicContact CG2-CB 4.07Å; I139-P556 HydrophobicContact CG2-CG 3.93Å; K140-P556 HydrophobicContact CB-CG 4.46Å; P556-T558 PolarHBondContact O-N 2.91Å; P556-I559 HydrophobicContact CG-CB 4.34Å; P556-I559 HydrophobicContact CG-CD1 3.91Å; P556-I559 HydrophobicContact CG-CG1 3.93Å; P556-I559 WeakPolarHBondContact O-CA 3.49Å; P556-I559 WeakPolarHBondContact O-CB 3.48Å; P556-I559 PolarHBondContact O-N 3.4Å; P556-L560 PolarHBondContact O-N 3.4Å; P556-T684 HydrophobicContact CB-CG2 4.08Å
557	P	81.1	Confident	83.1	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-41	-36.5	171.5	-31.7	36.1	0	0	0	115.3	L485 I559 L560 F561 T684	L485-P557 HydrophobicContact CD1-CB 4.11Å; P557-I559 VanDerWaalsContact C-N 3.3Å; P557-I559 PolarHBondContact O-N 3.46Å; P557-L560 PolarHBondContact O-N 3.44Å; P557-F561 WeakPolarHBondContact O-CB 3.11Å; P557-F561 PolarHBondContact O-N 3.16Å; P557-T684 HydrophobicContact CG-CG2 3.75Å
558	T	84.6	Confident	84.6	Confident	53 Å²	53	27.4 Å²	27.4	33%	0.325	14%	0.142	S	C	.	.	H	α-helix	trans	-62.1	-37.8	175.6	55.4	0	0	0	0	112.6	P556 M562 I1120	P556-T558 PolarHBondContact O-N 2.91Å; T558-M562 WeakPolarHBondContact O-CB 3.02Å; T558-M562 PolarHBondContact O-N 3.31Å; T558-I1120 HydrophobicContact CG2-CG1 4.14Å
559	I	90.6	Very high	86.2	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-77.6	-45.2	176.8	-66.8	-175.8	0	0	0	109.7	K140 F144 F449 W555 P556 P557 F561 M562 I563	K140-I559 HydrophobicContact CG-CD1 4.09Å; K140-I559 HydrophobicContact CG-CG1 4.25Å; F144-I559 HydrophobicContact CD2-CD1 3.84Å; F144-I559 HydrophobicContact CE2-CD1 3.8Å; F144-I559 HydrophobicContact CE2-CG1 4Å; F449-I559 HydrophobicContact CD1-CG2 3.91Å; F449-I559 HydrophobicContact CD2-CG2 4.49Å; F449-I559 HydrophobicContact CE1-CD1 4.33Å; F449-I559 HydrophobicContact CE1-CG2 3.42Å; F449-I559 VanDerWaalsContact CE1-CG2 3.42Å; F449-I559 HydrophobicContact CE2-CG2 4.05Å; F449-I559 HydrophobicContact CG-CG2 4.45Å; F449-I559 HydrophobicContact CZ-CD1 3.88Å; F449-I559 HydrophobicContact CZ-CG1 4.49Å; F449-I559 HydrophobicContact CZ-CG2 3.52Å; W555-I559 HydrophobicContact CB-CB 4.24Å; W555-I559 HydrophobicContact CB-CG2 3.97Å; W555-I559 HydrophobicContact CD2-CG2 4.37Å; W555-I559 HydrophobicContact CG-CG2 4.11Å; P556-I559 HydrophobicContact CG-CB 4.34Å; P556-I559 HydrophobicContact CG-CD1 3.91Å; P556-I559 HydrophobicContact CG-CG1 3.93Å; P556-I559 WeakPolarHBondContact O-CA 3.49Å; P556-I559 WeakPolarHBondContact O-CB 3.48Å; P556-I559 PolarHBondContact O-N 3.4Å; P557-I559 VanDerWaalsContact C-N 3.3Å; P557-I559 PolarHBondContact O-N 3.46Å; I559-F561 VanDerWaalsContact C-N 3.31Å; I559-F561 PolarHBondContact O-N 2.99Å; I559-M562 PolarHBondContact O-N 3.46Å; I559-I563 HydrophobicContact CG2-CD1 3.76Å; I559-I563 HydrophobicContact CG2-CG1 4.41Å; I559-I563 VanDerWaalsContact O-CG1 3.31Å; I559-I563 WeakPolarHBondContact O-CG1 3.44Å; I559-I563 PolarHBondContact O-N 2.93Å
560	L	91.6	Very high	88	Confident	4 Å²	4	25.8 Å²	25.8	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-57.2	-45.7	177	-63.6	171.2	0	0	0	111.4	L485 G488 R489 E492 W555 P556 P557 I563 G564	L485-L560 HydrophobicContact CD1-CB 3.66Å; L485-L560 HydrophobicContact CD1-CD1 4.11Å; G488-L560 VanDerWaalsContact CA-O 3.31Å; G488-L560 WeakPolarHBondContact CA-O 3.49Å; G488-L560 WeakPolarHBondContact O-CD2 3.49Å; R489-L560 HydrophobicContact CG-CD1 3.82Å; R489-L560 HydrophobicContact CG-CD2 4.29Å; E492-L560 HydrophobicContact CB-CD2 4.03Å; W555-L560 HydrophobicContact CB-CD2 3.91Å; W555-L560 HydrophobicContact CB-CG 4.11Å; W555-L560 HydrophobicContact CE3-CD2 4Å; W555-L560 WeakPolarHBondContact O-CD1 3.37Å; W555-L560 WeakPolarHBondContact O-CG 3.33Å; P556-L560 PolarHBondContact O-N 3.4Å; P557-L560 PolarHBondContact O-N 3.44Å; L560-I563 PolarHBondContact O-N 3.44Å; L560-G564 PolarHBondContact O-N 3.49Å
561	F	90.4	Very high	89.3	Confident	24 Å²	24	25.4 Å²	25.4	11%	0.105	14%	0.136	C	C	.	.	H	α-helix	trans	-61.3	-48	175.2	-179.9	-89	0	0	0	111.5	C484 P557 I559 I563 G564 E565	C484-F561 HydrophobicContact CB-CD2 3.92Å; C484-F561 HydrophobicContact CB-CE2 4Å; P557-F561 WeakPolarHBondContact O-CB 3.11Å; P557-F561 PolarHBondContact O-N 3.16Å; I559-F561 VanDerWaalsContact C-N 3.31Å; I559-F561 PolarHBondContact O-N 2.99Å; F561-I563 VanDerWaalsContact C-N 3.32Å; F561-I563 PolarHBondContact O-N 3.07Å; F561-G564 CarbonylContact O-C 3.39Å; F561-G564 PolarHBondContact O-N 3.5Å; F561-G564 VanDerWaalsContact O-N 3.15Å; F561-E565 HydrophobicContact CE1-CB 4.3Å; F561-E565 VanDerWaalsContact O-CB 3.28Å; F561-E565 WeakPolarHBondContact O-CB 3.39Å; F561-E565 PolarHBondContact O-N 3.1Å
562	M	93.8	Very high	90.6	Very high	45 Å²	45	26.8 Å²	26.8	22%	0.222	14%	0.137	C	C	.	.	H	α-helix	trans	-57.9	-42.6	178.5	-178.8	-167.2	-58.8	0	0	112.5	F144 A446 T558 I559 V566	F144-M562 HydrophobicContact CZ-CE 4.13Å; F144-M562 HydrophobicContact CZ-SD 4.27Å; A446-M562 HydrophobicContact CB-CG 4.26Å; A446-M562 HydrophobicContact CB-SD 4.41Å; T558-M562 WeakPolarHBondContact O-CB 3.02Å; T558-M562 PolarHBondContact O-N 3.31Å; I559-M562 PolarHBondContact O-N 3.46Å; M562-V566 WeakPolarHBondContact O-CG2 3.47Å; M562-V566 PolarHBondContact O-N 2.94Å
563	I	96.5	Very high	91.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66	-48.2	175.8	-66.3	165.4	0	0	0	109.8	F449 L450 V491 W555 I559 L560 F561 E565 V566 L567	F449-I563 HydrophobicContact CB-CD1 3.56Å; F449-I563 HydrophobicContact CB-CG1 3.88Å; F449-I563 HydrophobicContact CD1-CD1 3.71Å; F449-I563 HydrophobicContact CD2-CD1 4.35Å; F449-I563 HydrophobicContact CD2-CG1 4.46Å; F449-I563 HydrophobicContact CG-CD1 3.62Å; F449-I563 HydrophobicContact CG-CG1 4.1Å; L450-I563 HydrophobicContact CD2-CG2 3.91Å; V491-I563 HydrophobicContact CB-CG2 4.06Å; V491-I563 HydrophobicContact CG1-CG2 4.06Å; V491-I563 HydrophobicContact CG2-CG2 3.98Å; W555-I563 HydrophobicContact CD2-CD1 4.35Å; W555-I563 HydrophobicContact CE3-CD1 3.48Å; W555-I563 VanDerWaalsContact CE3-CD1 3.48Å; W555-I563 HydrophobicContact CH2-CD1 4.29Å; W555-I563 HydrophobicContact CZ3-CD1 3.44Å; W555-I563 VanDerWaalsContact CZ3-CD1 3.44Å; I559-I563 HydrophobicContact CG2-CD1 3.76Å; I559-I563 HydrophobicContact CG2-CG1 4.41Å; I559-I563 VanDerWaalsContact O-CG1 3.31Å; I559-I563 WeakPolarHBondContact O-CG1 3.44Å; I559-I563 PolarHBondContact O-N 2.93Å; L560-I563 PolarHBondContact O-N 3.44Å; F561-I563 VanDerWaalsContact C-N 3.32Å; F561-I563 PolarHBondContact O-N 3.07Å; I563-E565 VanDerWaalsContact C-N 3.32Å; I563-E565 PolarHBondContact O-N 2.79Å; I563-V566 PolarHBondContact O-N 3.45Å; I563-L567 PolarHBondContact O-N 3.29Å
564	G	95.8	Very high	92.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-37.8	-179.9	0	0	0	0	0	114.2	C484 L560 F561 L567 Y568	C484-G564 WeakPolarHBondContact O-CA 3.49Å; L560-G564 PolarHBondContact O-N 3.49Å; F561-G564 CarbonylContact O-C 3.39Å; F561-G564 PolarHBondContact O-N 3.5Å; F561-G564 VanDerWaalsContact O-N 3.15Å; G564-L567 PolarHBondContact O-N 3.4Å; G564-Y568 WeakPolarHBondContact O-CB 3.48Å; G564-Y568 PolarHBondContact O-N 3.22Å
565	E	95.2	Very high	92.9	Very high	101 Å²	101	28.2 Å²	28.2	47%	0.472	14%	0.137	S	C	.	.	H	α-helix	trans	-63.5	-43.6	178	-178.3	178.1	-133.4	0	0	111.2	F561 I563 L567 Y568 S569	F561-E565 HydrophobicContact CE1-CB 4.3Å; F561-E565 VanDerWaalsContact O-CB 3.28Å; F561-E565 WeakPolarHBondContact O-CB 3.39Å; F561-E565 PolarHBondContact O-N 3.1Å; I563-E565 VanDerWaalsContact C-N 3.32Å; I563-E565 PolarHBondContact O-N 2.79Å; E565-L567 VanDerWaalsContact C-N 3.34Å; E565-L567 PolarHBondContact O-N 2.9Å; E565-Y568 PolarHBondContact O-N 2.94Å; E565-S569 WeakPolarHBondContact O-CB 3.25Å; E565-S569 PolarHBondContact O-N 3.19Å
566	V	97.3	Very high	93.4	Very high	16 Å²	16	31.9 Å²	31.9	10%	0.097	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-41.4	174.9	174.6	0	0	0	0	111.5	Q431 L435 A446 L450 M562 I563 S569 L570	Q431-V566 HydrophobicContact CG-CG1 3.83Å; L435-V566 HydrophobicContact CD1-CG1 4.04Å; L435-V566 HydrophobicContact CD1-CG2 4.39Å; A446-V566 HydrophobicContact CB-CG2 4.04Å; L450-V566 HydrophobicContact CD1-CB 4.2Å; L450-V566 HydrophobicContact CD1-CG1 3.67Å; M562-V566 WeakPolarHBondContact O-CG2 3.47Å; M562-V566 PolarHBondContact O-N 2.94Å; I563-V566 PolarHBondContact O-N 3.45Å; V566-S569 PolarHBondContact O-OG 2.94Å; V566-L570 WeakPolarHBondContact O-CG 3.39Å; V566-L570 PolarHBondContact O-N 2.96Å
567	L	97.9	Very high	93.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-73	-39.8	179	-63.6	-175.2	0	0	0	111.9	F428 L450 Y458 M462 L487 V491 I563 G564 E565 S569 L570 I571	F428-L567 HydrophobicContact CD2-CD2 4.05Å; F428-L567 HydrophobicContact CE2-CD2 3.99Å; L450-L567 HydrophobicContact CD2-CD2 4.2Å; Y458-L567 HydrophobicContact CD1-CD2 4.48Å; M462-L567 HydrophobicContact CE-CD2 4.45Å; M462-L567 HydrophobicContact CG-CB 4.04Å; M462-L567 HydrophobicContact CG-CD1 4.49Å; M462-L567 HydrophobicContact CG-CD2 4.32Å; M462-L567 HydrophobicContact SD-CB 4.04Å; M462-L567 HydrophobicContact SD-CD2 3.97Å; L487-L567 HydrophobicContact CD1-CB 4.22Å; V491-L567 HydrophobicContact CG2-CD1 3.49Å; V491-L567 VanDerWaalsContact CG2-CD1 3.49Å; I563-L567 PolarHBondContact O-N 3.29Å; G564-L567 PolarHBondContact O-N 3.4Å; E565-L567 VanDerWaalsContact C-N 3.34Å; E565-L567 PolarHBondContact O-N 2.9Å; L567-S569 VanDerWaalsContact C-N 3.35Å; L567-S569 PolarHBondContact O-N 3.44Å; L567-L570 HydrophobicContact CD2-CD1 4.48Å; L567-L570 WeakPolarHBondContact O-CB 3.49Å; L567-L570 PolarHBondContact O-N 3.22Å; L567-I571 WeakPolarHBondContact O-CG1 3.4Å; L567-I571 PolarHBondContact O-N 3.45Å
568	Y	95.1	Very high	94.6	Very high	21 Å²	21	31.4 Å²	31.4	8%	0.082	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-41.8	177	177.8	-100.2	0	0	0	111.6	A483 C484 G564 E565 L570 I571 Y572 I608 E610 I623	A483-Y568 HydrophobicContact CB-CD2 4.48Å; C484-Y568 VanDerWaalsContact SG-CB 3.58Å; G564-Y568 WeakPolarHBondContact O-CB 3.48Å; G564-Y568 PolarHBondContact O-N 3.22Å; E565-Y568 PolarHBondContact O-N 2.94Å; Y568-L570 VanDerWaalsContact C-N 3.29Å; Y568-L570 PolarHBondContact O-N 3.06Å; Y568-I571 WeakPolarHBondContact O-CB 3.31Å; Y568-I571 PolarHBondContact O-N 3.35Å; Y568-Y572 WeakPolarHBondContact O-CB 3.42Å; Y568-Y572 PolarHBondContact O-N 2.91Å; Y568-I608 HydrophobicContact CE2-CD1 3.81Å; Y568-E610 PolarHBondContact OH-OE1 3.4Å; Y568-I623 HydrophobicContact CD2-CD1 4.43Å; Y568-I623 HydrophobicContact CE2-CD1 3.54Å; Y568-I623 HydrophobicContact CE2-CG1 4.13Å
569	S	95.5	Very high	95.1	Very high	31 Å²	31	30.3 Å²	30.3	22%	0.217	14%	0.14	C	C	.	.	H	α-helix	trans	-60.9	-40.3	176.7	73.5	0	0	0	0	111.4	E565 V566 L567 I571 Y572 E573	E565-S569 WeakPolarHBondContact O-CB 3.25Å; E565-S569 PolarHBondContact O-N 3.19Å; V566-S569 PolarHBondContact O-OG 2.94Å; L567-S569 VanDerWaalsContact C-N 3.35Å; L567-S569 PolarHBondContact O-N 3.44Å; S569-I571 PolarHBondContact O-N 3.09Å; S569-Y572 PolarHBondContact O-N 2.85Å; S569-E573 VanDerWaalsContact O-CB 3.27Å; S569-E573 WeakPolarHBondContact O-CB 3.29Å; S569-E573 VanDerWaalsContact O-CG 3.28Å; S569-E573 WeakPolarHBondContact O-CG 3.46Å; S569-E573 PolarHBondContact O-N 3.24Å
570	L	97.7	Very high	95.2	Very high	5 Å²	5	32 Å²	32	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-63.2	-42.3	175.6	-66.4	173.1	0	0	0	112.2	A427 F428 Q431 M462 V566 L567 Y568 H574	A427-L570 HydrophobicContact CB-CD2 3.94Å; F428-L570 HydrophobicContact CB-CD1 4.08Å; F428-L570 HydrophobicContact CD2-CD1 3.94Å; Q431-L570 HydrophobicContact CB-CD1 4.47Å; Q431-L570 HydrophobicContact CB-CD2 4.04Å; Q431-L570 HydrophobicContact CG-CD2 4.4Å; M462-L570 HydrophobicContact CE-CD1 4.36Å; M462-L570 HydrophobicContact SD-CB 3.99Å; M462-L570 HydrophobicContact SD-CD1 4.27Å; V566-L570 WeakPolarHBondContact O-CG 3.39Å; V566-L570 PolarHBondContact O-N 2.96Å; L567-L570 HydrophobicContact CD2-CD1 4.48Å; L567-L570 WeakPolarHBondContact O-CB 3.49Å; L567-L570 PolarHBondContact O-N 3.22Å; Y568-L570 VanDerWaalsContact C-N 3.29Å; Y568-L570 PolarHBondContact O-N 3.06Å; L570-H574 WeakPolarHBondContact O-CB 3.48Å; L570-H574 PolarHBondContact O-CD2 3.24Å; L570-H574 PolarHBondContact O-N 3.37Å
571	I	95.8	Very high	95.2	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-52.2	174.3	-68.1	169.8	0	0	0	110	M462 I466 L487 L567 Y568 S569 E573 L575 I608	M462-I571 HydrophobicContact CB-CD1 3.84Å; M462-I571 HydrophobicContact CB-CG1 3.89Å; M462-I571 HydrophobicContact CG-CD1 3.91Å; M462-I571 HydrophobicContact CG-CG1 3.98Å; M462-I571 HydrophobicContact SD-CD1 4.46Å; M462-I571 HydrophobicContact SD-CG1 3.94Å; I466-I571 HydrophobicContact CD1-CD1 4.48Å; I466-I571 HydrophobicContact CD1-CG2 3.44Å; I466-I571 VanDerWaalsContact CD1-CG2 3.44Å; I466-I571 HydrophobicContact CG1-CD1 4.4Å; I466-I571 HydrophobicContact CG1-CG2 3.96Å; L487-I571 HydrophobicContact CD1-CD1 3.91Å; L487-I571 HydrophobicContact CD2-CD1 4.37Å; L567-I571 WeakPolarHBondContact O-CG1 3.4Å; L567-I571 PolarHBondContact O-N 3.45Å; Y568-I571 WeakPolarHBondContact O-CB 3.31Å; Y568-I571 PolarHBondContact O-N 3.35Å; S569-I571 PolarHBondContact O-N 3.09Å; I571-E573 PolarHBondContact O-N 2.91Å; I571-L575 HydrophobicContact CG2-CB 4.25Å; I571-L575 HydrophobicContact CG2-CD2 3.93Å; I571-L575 WeakPolarHBondContact O-CA 3.4Å; I571-L575 WeakPolarHBondContact O-CB 3.38Å; I571-L575 PolarHBondContact O-N 2.96Å; I571-I608 HydrophobicContact CG2-CD1 3.69Å; I571-I608 HydrophobicContact CG2-CG1 4.32Å
572	Y	94.3	Very high	95.3	Very high	94 Å²	94	31.3 Å²	31.3	37%	0.369	15%	0.147	S	C	.	.	H	α-helix	trans	-61.7	-45.6	-175.9	-171.7	-98.9	0	0	0	112	Y568 S569 R576 I608 E610	Y568-Y572 WeakPolarHBondContact O-CB 3.42Å; Y568-Y572 PolarHBondContact O-N 2.91Å; S569-Y572 PolarHBondContact O-N 2.85Å; Y572-R576 PolarHBondContact O-NH1 3.47Å; Y572-I608 HydrophobicContact CD2-CD1 4.21Å; Y572-I608 HydrophobicContact CD2-CG1 4.27Å; Y572-E610 HydrophobicContact CE2-CG 3.95Å
573	E	95.1	Very high	95.1	Very high	110 Å²	110	33.3 Å²	33.3	51%	0.514	16%	0.159	S	C	.	.	H	α-helix	trans	-74.2	-42	-176.8	-70.4	173.1	-164.1	0	0	112.9	S569 I571 R576	S569-E573 VanDerWaalsContact O-CB 3.27Å; S569-E573 WeakPolarHBondContact O-CB 3.29Å; S569-E573 VanDerWaalsContact O-CG 3.28Å; S569-E573 WeakPolarHBondContact O-CG 3.46Å; S569-E573 PolarHBondContact O-N 3.24Å; I571-E573 PolarHBondContact O-N 2.91Å; E573-R576 VanDerWaalsContact O-CZ 3.26Å; E573-R576 PolarHBondContact O-NH1 3.4Å; E573-R576 PolarHBondContact O-NH2 3.38Å
574	H	96.4	Very high	94.7	Very high	69 Å²	69	36 Å²	36	32%	0.319	17%	0.169	S	C	.	.	H	α-helix	trans	-109.9	-20.6	-167.7	-60.5	-76.7	0	0	0	115.2	V423 A427 L570 R576	V423-H574 HydrophobicContact CG1-CB 4Å; A427-H574 HydrophobicContact CB-CB 4.43Å; A427-H574 VanDerWaalsContact CB-CD2 3.45Å; A427-H574 WeakPolarHBondContact CB-CD2 3.27Å; L570-H574 WeakPolarHBondContact O-CB 3.48Å; L570-H574 PolarHBondContact O-CD2 3.24Å; L570-H574 PolarHBondContact O-N 3.37Å; H574-R576 PolarHBondContact O-N 3.43Å; H574-R576 VanDerWaalsContact O-N 3.12Å
575	L	96	Very high	94.5	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	17%	0.172	C	C	.	.			trans	-77.5	107.2	-175.1	-161.9	67.3	0	0	0	111.1	W420 L424 I466 I571 A607	W420-L575 HydrophobicContact CB-CD1 3.63Å; W420-L575 HydrophobicContact CD2-CD1 3.52Å; W420-L575 HydrophobicContact CD2-CG 4.23Å; W420-L575 HydrophobicContact CE3-CD1 4.04Å; W420-L575 HydrophobicContact CE3-CD2 4.48Å; W420-L575 HydrophobicContact CG-CD1 3.33Å; W420-L575 HydrophobicContact CG-CG 4.42Å; L424-L575 HydrophobicContact CD1-CD1 3.98Å; L424-L575 HydrophobicContact CG-CD1 4.24Å; I466-L575 HydrophobicContact CB-CD2 4.36Å; I466-L575 HydrophobicContact CD1-CD2 4.01Å; I466-L575 HydrophobicContact CG1-CD2 3.56Å; I466-L575 HydrophobicContact CG2-CD2 4.25Å; I571-L575 HydrophobicContact CG2-CB 4.25Å; I571-L575 HydrophobicContact CG2-CD2 3.93Å; I571-L575 WeakPolarHBondContact O-CA 3.4Å; I571-L575 WeakPolarHBondContact O-CB 3.38Å; I571-L575 PolarHBondContact O-N 2.96Å; L575-A607 HydrophobicContact CB-CB 4.4Å; L575-A607 HydrophobicContact CD2-CB 3.84Å; L575-A607 HydrophobicContact CG-CB 3.89Å; L575-A607 PolarHBondContact O-N 2.9Å
576	R	96.6	Very high	94.2	Very high	82 Å²	82	35.4 Å²	35.4	31%	0.309	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.5	176.3	-56.7	-60.8	176.8	-98.7	-0.5	109.9	W420 Y572 E573 H574 D604 T605	W420-R576 VanDerWaalsContact CD1-O 3.29Å; W420-R576 PolarHBondContact NE1-O 2.77Å; Y572-R576 PolarHBondContact O-NH1 3.47Å; E573-R576 VanDerWaalsContact O-CZ 3.26Å; E573-R576 PolarHBondContact O-NH1 3.4Å; E573-R576 PolarHBondContact O-NH2 3.38Å; H574-R576 PolarHBondContact O-N 3.43Å; H574-R576 VanDerWaalsContact O-N 3.12Å; R576-D604 HydrophobicContact CB-CB 4.13Å; R576-T605 CarbonylContact C-O 3.4Å; R576-T605 VanDerWaalsContact CA-O 3.23Å; R576-T605 WeakPolarHBondContact CA-O 3.34Å
577	F	95.5	Very high	93.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	154.4	177.6	83.7	-80.3	0	0	0	111.5	E416 W420 L579 T605 P606 A607 H626 T628 L629 W632	E416-F577 HydrophobicContact CG-CB 4.49Å; E416-F577 VanDerWaalsContact OE1-CA 3.26Å; E416-F577 WeakPolarHBondContact OE1-CA 2.97Å; W420-F577 HydrophobicContact CZ2-CB 3.66Å; F577-L579 HydrophobicContact CE2-CD1 4.2Å; F577-L579 HydrophobicContact CZ-CD1 3.84Å; F577-L579 PolarHBondContact O-N 3.45Å; F577-T605 WeakPolarHBondContact CD1-O 3.41Å; F577-T605 HydrophobicContact CE1-CG2 4.01Å; F577-T605 HydrophobicContact CZ-CG2 4.48Å; F577-T605 PolarHBondContact N-O 3.42Å; F577-T605 PolarHBondContact O-N 3.49Å; F577-P606 WeakPolarHBondContact CE1-O 3Å; F577-A607 HydrophobicContact CD1-CB 4.37Å; F577-H626 HydrophobicContact CE1-CB 3.5Å; F577-H626 AromaticContact CE1-CG 3.56Å; F577-H626 AromaticContact CE1-ND1 3.99Å; F577-H626 HydrophobicContact CZ-CB 3.84Å; F577-H626 AromaticContact CZ-CG 3.58Å; F577-H626 AromaticContact CZ-ND1 3.49Å; F577-H626 WeakPolarHBondContact CZ-ND1 3.12Å; F577-T628 HydrophobicContact CE2-CG2 4.36Å; F577-L629 HydrophobicContact CB-CD1 4.37Å; F577-L629 HydrophobicContact CD1-CB 4.45Å; F577-L629 HydrophobicContact CD1-CD2 4.3Å; F577-L629 HydrophobicContact CD2-CB 4.34Å; F577-L629 HydrophobicContact CD2-CD1 3.96Å; F577-L629 HydrophobicContact CE1-CB 4.22Å; F577-L629 HydrophobicContact CE2-CB 4.08Å; F577-L629 HydrophobicContact CE2-CD1 4.46Å; F577-L629 HydrophobicContact CG-CD1 4.09Å; F577-L629 HydrophobicContact CG-CD2 4.43Å; F577-L629 HydrophobicContact CZ-CB 4.04Å; F577-W632 HydrophobicContact CD2-CE3 4.37Å; F577-W632 HydrophobicContact CD2-CZ3 4.34Å
578	D	95.6	Very high	92.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	103.2	174.6	-165.6	-18	0	0	0	112.3	E416 N580 G581 R584 R602 K603	E416-D578 PolarHBondContact OE1-N 3.15Å; D578-N580 PolarHBondContact O-N 3.07Å; D578-N580 PolarHBondContact OD1-N 3.4Å; D578-G581 PolarHBondContact O-N 2.95Å; D578-G581 PolarHBondContact OD1-N 3.05Å; D578-R584 IonicContact OD1-NH1 2.7Å; D578-R584 PolarHBondContact OD1-NH1 3Å; D578-R584 IonicContact OD2-CZ 3.78Å; D578-R584 IonicContact OD2-NH1 3.61Å; D578-R584 PolarHBondContact OD2-NH1 3.34Å; D578-R584 IonicContact OD2-NH2 2.76Å; D578-R584 PolarHBondContact OD2-NH2 3Å; D578-R602 HydrophobicContact CB-CG 4.19Å; D578-R602 WeakPolarHBondContact OD1-CA 3.42Å; D578-R602 WeakPolarHBondContact OD2-CB 3.4Å; D578-R602 VanDerWaalsContact OD2-CG 3.29Å; D578-R602 WeakPolarHBondContact OD2-CG 3.12Å; D578-R602 IonicContact OD2-NH1 2.67Å; D578-K603 PolarHBondContact OD1-N 2.94Å
579	L	94.4	Very high	92.4	Very high	29 Å²	29	46.3 Å²	46.3	15%	0.152	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-33.6	178	-173.3	69.8	0	0	0	112.7	F577 K603 H626 T628	F577-L579 HydrophobicContact CE2-CD1 4.2Å; F577-L579 HydrophobicContact CZ-CD1 3.84Å; F577-L579 PolarHBondContact O-N 3.45Å; L579-K603 HydrophobicContact CB-CB 4.3Å; L579-K603 HydrophobicContact CB-CG 4.47Å; L579-K603 WeakPolarHBondContact CB-O 3.36Å; L579-K603 HydrophobicContact CD2-CD 3.85Å; L579-K603 PolarHBondContact N-O 3.45Å; L579-H626 VanDerWaalsContact CD1-CE1 3.41Å; L579-H626 WeakPolarHBondContact CD1-CE1 3.14Å; L579-T628 HydrophobicContact CD1-CG2 3.89Å; L579-T628 WeakPolarHBondContact CD1-OG1 3.34Å
580	N	93.4	Very high	91.6	Very high	35 Å²	35	49.2 Å²	49.2	19%	0.187	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-3	-177.9	-68.9	-20.1	0	0	0	112.5	D578 L583 R584 V600 R601	D578-N580 PolarHBondContact O-N 3.07Å; D578-N580 PolarHBondContact OD1-N 3.4Å; N580-L583 PolarHBondContact O-N 2.91Å; N580-R584 WeakPolarHBondContact O-CG 3.45Å; N580-R584 PolarHBondContact O-N 3.38Å; N580-V600 HydrophobicContact CB-CG1 3.63Å; N580-R601 PolarHBondContact ND2-O 3.33Å
581	G	91.3	Very high	90.3	Very high	2 Å²	2	53 Å²	53	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-48.3	-59.7	177.1	0	0	0	0	0	114	D578 L583 R584 V585	D578-G581 PolarHBondContact O-N 2.95Å; D578-G581 PolarHBondContact OD1-N 3.05Å; G581-L583 VanDerWaalsContact C-N 3.29Å; G581-L583 PolarHBondContact O-N 3.06Å; G581-R584 PolarHBondContact O-N 3.27Å; G581-V585 WeakPolarHBondContact O-CG2 3.49Å; G581-V585 PolarHBondContact O-N 2.87Å
582	P	91.7	Very high	88.2	Confident	12 Å²	12	58.8 Å²	58.8	8%	0.078	29%	0.29	C	S	.	.	H	α-helix	trans	-67	-29.8	-179	25.4	-33.6	0	0	0	112.9	L409 R586 T628 W632	L409-P582 HydrophobicContact CD2-CB 3.95Å; P582-R586 VanDerWaalsContact O-CG 3.29Å; P582-R586 WeakPolarHBondContact O-CG 3.21Å; P582-R586 PolarHBondContact O-N 3.35Å; P582-R586 VanDerWaalsContact O-N 3.1Å; P582-T628 HydrophobicContact CG-CG2 4.11Å; P582-W632 HydrophobicContact CB-CB 4.43Å; P582-W632 HydrophobicContact CB-CD2 4.19Å; P582-W632 HydrophobicContact CB-CG 4.02Å; P582-W632 HydrophobicContact CG-CB 4.38Å; P582-W632 HydrophobicContact CG-CD2 4.15Å; P582-W632 HydrophobicContact CG-CE3 4.27Å; P582-W632 HydrophobicContact CG-CG 4.22Å
583	L	90.4	Very high	85.9	Confident	88 Å²	88	59.3 Å²	59.3	46%	0.461	30%	0.299	S	S	.	.	H	α-helix	trans	-66.8	-44.2	175.8	-70.6	173.6	0	0	0	111.3	N580 G581 V585 R586 H587	N580-L583 PolarHBondContact O-N 2.91Å; G581-L583 VanDerWaalsContact C-N 3.29Å; G581-L583 PolarHBondContact O-N 3.06Å; L583-V585 PolarHBondContact O-N 3.36Å; L583-R586 PolarHBondContact O-N 2.93Å; L583-H587 PolarHBondContact O-CD2 2.88Å; L583-H587 PolarHBondContact O-N 3.37Å
584	R	88.6	Confident	83.8	Confident	57 Å²	57	63.2 Å²	63.2	22%	0.215	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-45.9	176.2	-73.6	-164.7	-52.9	-91.1	-4.5	112	D578 N580 G581 R586 H587 E588 V600	D578-R584 IonicContact OD1-NH1 2.7Å; D578-R584 PolarHBondContact OD1-NH1 3Å; D578-R584 IonicContact OD2-CZ 3.78Å; D578-R584 IonicContact OD2-NH1 3.61Å; D578-R584 PolarHBondContact OD2-NH1 3.34Å; D578-R584 IonicContact OD2-NH2 2.76Å; D578-R584 PolarHBondContact OD2-NH2 3Å; N580-R584 WeakPolarHBondContact O-CG 3.45Å; N580-R584 PolarHBondContact O-N 3.38Å; G581-R584 PolarHBondContact O-N 3.27Å; R584-R586 VanDerWaalsContact C-N 3.29Å; R584-R586 PolarHBondContact O-N 3.32Å; R584-H587 PolarHBondContact O-N 3.46Å; R584-H587 VanDerWaalsContact O-N 3.13Å; R584-E588 WeakPolarHBondContact O-CB 3.46Å; R584-E588 WeakPolarHBondContact O-CG 3.28Å; R584-E588 PolarHBondContact O-N 3.05Å; R584-V600 VanDerWaalsContact CD-O 3.3Å; R584-V600 WeakPolarHBondContact CD-O 3.47Å; R584-V600 HydrophobicContact CG-CB 3.92Å; R584-V600 HydrophobicContact CG-CG1 3.73Å
585	V	90.1	Very high	81.6	Confident	11 Å²	11	68.9 Å²	68.9	7%	0.067	34%	0.341	C	S	.	.	H	α-helix	trans	-59.3	-42.4	177.2	175.7	0	0	0	0	111.4	L405 N408 L409 A412 G581 L583 F589	L405-V585 HydrophobicContact CD1-CG1 4.21Å; N408-V585 HydrophobicContact CB-CG1 3.69Å; L409-V585 HydrophobicContact CD2-CB 3.81Å; L409-V585 HydrophobicContact CD2-CG1 3.74Å; L409-V585 HydrophobicContact CD2-CG2 4.42Å; L409-V585 HydrophobicContact CG-CG1 3.89Å; A412-V585 HydrophobicContact CB-CG2 3.49Å; A412-V585 VanDerWaalsContact CB-CG2 3.49Å; G581-V585 WeakPolarHBondContact O-CG2 3.49Å; G581-V585 PolarHBondContact O-N 2.87Å; L583-V585 PolarHBondContact O-N 3.36Å; V585-F589 VanDerWaalsContact O-CB 3.31Å; V585-F589 WeakPolarHBondContact O-CB 2.93Å; V585-F589 PolarHBondContact O-N 3.18Å
586	R	88.9	Confident	79.4	Confident	77 Å²	77	70.4 Å²	70.4	29%	0.291	35%	0.354	S	S	.	.	H	α-helix	trans	-65.4	-39.5	176.3	-73	171.5	178	-85.1	3.1	112	L405 P582 L583 R584 F589 S590 D635	L405-R586 HydrophobicContact CD1-CG 4.23Å; P582-R586 VanDerWaalsContact O-CG 3.29Å; P582-R586 WeakPolarHBondContact O-CG 3.21Å; P582-R586 PolarHBondContact O-N 3.35Å; P582-R586 VanDerWaalsContact O-N 3.1Å; L583-R586 PolarHBondContact O-N 2.93Å; R584-R586 VanDerWaalsContact C-N 3.29Å; R584-R586 PolarHBondContact O-N 3.32Å; R586-F589 PolarHBondContact O-N 2.71Å; R586-S590 VanDerWaalsContact O-CB 3.32Å; R586-S590 WeakPolarHBondContact O-CB 3.18Å; R586-S590 PolarHBondContact O-N 2.9Å; R586-S590 PolarHBondContact O-OG 2.94Å; R586-D635 IonicContact CZ-OD2 3.54Å; R586-D635 IonicContact NH2-OD2 2.77Å; R586-D635 PolarHBondContact NH2-OD2 3.36Å
587	H	85.2	Confident	77.3	Confident	76 Å²	76	68 Å²	68	35%	0.352	35%	0.35	S	S	.	.	H	α-helix	trans	-66.4	-45.6	175.8	-85.4	-67.4	0	0	0	112.5	L583 R584 F589 S590 K591	L583-H587 PolarHBondContact O-CD2 2.88Å; L583-H587 PolarHBondContact O-N 3.37Å; R584-H587 PolarHBondContact O-N 3.46Å; R584-H587 VanDerWaalsContact O-N 3.13Å; H587-F589 VanDerWaalsContact C-N 3.27Å; H587-F589 PolarHBondContact O-N 2.68Å; H587-S590 PolarHBondContact O-N 2.96Å; H587-K591 WeakPolarHBondContact O-CB 3.41Å; H587-K591 PolarHBondContact O-N 3.38Å
588	E	84	Confident	75.4	Confident	118 Å²	118	72.3 Å²	72.3	55%	0.551	38%	0.38	S	S	*	.	H	α-helix	trans	-59.3	-38.7	173.8	-72.3	167.3	-167.6	0	0	111.5	R584	R584-E588 WeakPolarHBondContact O-CB 3.46Å; R584-E588 WeakPolarHBondContact O-CG 3.28Å; R584-E588 PolarHBondContact O-N 3.05Å
589	F	83.9	Confident	74.1	Confident	72 Å²	72	78.7 Å²	78.7	32%	0.316	41%	0.414	S	S	.	.	H	α-helix	trans	-71.9	-33.3	176.6	-169.2	-94.8	0	0	0	113.4	T402 E404 L405 V585 R586 H587	T402-F589 VanDerWaalsContact OG1-CZ 3.23Å; T402-F589 WeakPolarHBondContact OG1-CZ 3.47Å; E404-F589 HydrophobicContact CB-CE2 3.75Å; E404-F589 HydrophobicContact CB-CZ 4.17Å; L405-F589 HydrophobicContact CB-CD1 3.99Å; L405-F589 HydrophobicContact CB-CD2 4.05Å; L405-F589 HydrophobicContact CB-CE1 3.94Å; L405-F589 HydrophobicContact CB-CE2 4Å; L405-F589 HydrophobicContact CB-CG 4.06Å; L405-F589 HydrophobicContact CB-CZ 3.96Å; L405-F589 HydrophobicContact CD1-CB 3.77Å; L405-F589 HydrophobicContact CD1-CD1 4.12Å; L405-F589 HydrophobicContact CD1-CD2 4.26Å; L405-F589 HydrophobicContact CD1-CG 3.78Å; L405-F589 HydrophobicContact CD2-CD1 4.19Å; L405-F589 HydrophobicContact CG-CD1 4.33Å; L405-F589 HydrophobicContact CG-CG 4.37Å; V585-F589 VanDerWaalsContact O-CB 3.31Å; V585-F589 WeakPolarHBondContact O-CB 2.93Å; V585-F589 PolarHBondContact O-N 3.18Å; R586-F589 PolarHBondContact O-N 2.71Å; H587-F589 VanDerWaalsContact C-N 3.27Å; H587-F589 PolarHBondContact O-N 2.68Å
590	S	79.1	Confident	73.1	Confident	91 Å²	91	79.2 Å²	79.2	64%	0.636	42%	0.418	S	S	*	.	H	α-helix	trans	-86.4	-8.4	-173.3	-54.8	0	0	0	0	114.3	R586 H587	R586-S590 VanDerWaalsContact O-CB 3.32Å; R586-S590 WeakPolarHBondContact O-CB 3.18Å; R586-S590 PolarHBondContact O-N 2.9Å; R586-S590 PolarHBondContact O-OG 2.94Å; H587-S590 PolarHBondContact O-N 2.96Å
591	K	69.6	Low	72.7	Confident	86 Å²	86	87.6 Å²	87.6	37%	0.374	45%	0.447	S	S	.	.			trans	-122	120.4	-167.7	-81.8	-165	169.2	-131.6	0	115	H587 D593 A596	H587-K591 WeakPolarHBondContact O-CB 3.41Å; H587-K591 PolarHBondContact O-N 3.38Å; K591-D593 HydrophobicContact CB-CB 4.47Å; K591-D593 HydrophobicContact CD-CB 4.05Å; K591-D593 WeakPolarHBondContact CD-O 3.47Å; K591-D593 HydrophobicContact CG-CB 4.42Å; K591-A596 HydrophobicContact CD-CB 3.82Å
592	S	51.3	Low	72.7	Confident	125 Å²	125	92 Å²	92	87%	0.874	46%	0.463	S	S	*	.	S	Bend	trans	-71.5	7.4	145.1	49.7	0	0	0	0	114.2
593	D	47.3	Very low	72.7	Confident	105 Å²	105	97 Å²	97	56%	0.561	48%	0.484	S	S	*	.			trans	-122.9	106.1	-178.1	-88.1	-29.9	0	0	0	112.5	K591 K595	K591-D593 HydrophobicContact CB-CB 4.47Å; K591-D593 HydrophobicContact CD-CB 4.05Å; K591-D593 WeakPolarHBondContact CD-O 3.47Å; K591-D593 HydrophobicContact CG-CB 4.42Å; D593-K595 PolarHBondContact O-N 3.42Å; D593-K595 VanDerWaalsContact O-N 3.1Å
594	E	50.9	Low	72.9	Confident	191 Å²	191	97.2 Å²	97.2	89%	0.893	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.2	-175.8	-65.7	-175.7	151.1	0	0	115.1	A596	E594-A596 PolarHBondContact O-N 3.43Å
595	K	50.8	Low	73.2	Confident	189 Å²	189	95.3 Å²	95.3	82%	0.822	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.5	-167.8	-72.2	-175.9	178.8	176.4	0	116.6	D593	D593-K595 PolarHBondContact O-N 3.42Å; D593-K595 VanDerWaalsContact O-N 3.1Å
596	A	49.7	Very low	73.4	Confident	32 Å²	32	97.2 Å²	97.2	26%	0.264	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-22.7	-176.7	0	0	0	0	0	115.3	K591 E594 S598	K591-A596 HydrophobicContact CD-CB 3.82Å; E594-A596 PolarHBondContact O-N 3.43Å; A596-S598 VanDerWaalsContact C-N 3.31Å; A596-S598 PolarHBondContact O-N 2.69Å
597	S	51.5	Low	73.6	Confident	33 Å²	33	93.6 Å²	93.6	23%	0.231	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-70.6	-25.1	-179.6	-75.6	0	0	0	0	113.3	N599	S597-N599 VanDerWaalsContact C-N 3.35Å; S597-N599 PolarHBondContact O-N 2.97Å
598	S	56.1	Low	73.9	Confident	90 Å²	90	90.1 Å²	90.1	63%	0.629	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-72.5	-20.4	-176.3	60.2	0	0	0	0	114.8	A596	A596-S598 VanDerWaalsContact C-N 3.31Å; A596-S598 PolarHBondContact O-N 2.69Å
599	N	67.6	Low	74.2	Confident	134 Å²	134	87.9 Å²	87.9	72%	0.717	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-87.8	-14.8	-174.5	-76.9	-17.2	0	0	0	114.6	S597 R601	S597-N599 VanDerWaalsContact C-N 3.35Å; S597-N599 PolarHBondContact O-N 2.97Å; N599-R601 PolarHBondContact O-N 3.48Å
600	V	74.8	Confident	74.4	Confident	40 Å²	40	87.1 Å²	87.1	24%	0.242	45%	0.449	C	S	.	.			trans	-87.8	94.9	-177.2	-176.7	0	0	0	0	110.1	N580 R584	N580-V600 HydrophobicContact CB-CG1 3.63Å; R584-V600 VanDerWaalsContact CD-O 3.3Å; R584-V600 WeakPolarHBondContact CD-O 3.47Å; R584-V600 HydrophobicContact CG-CB 3.92Å; R584-V600 HydrophobicContact CG-CG1 3.73Å
601	R	84.4	Confident	74.7	Confident	210 Å²	210	85 Å²	85	79%	0.792	43%	0.432	S	S	*	.			trans	-74.1	153.3	180	-63.9	-177	-179.6	-179.8	0.1	112.5	N580 N599 K603	N580-R601 PolarHBondContact ND2-O 3.33Å; N599-R601 PolarHBondContact O-N 3.48Å; R601-K603 PolarHBondContact O-N 3.25Å
602	R	90.5	Very high	75.3	Confident	96 Å²	96	85.6 Å²	85.6	36%	0.362	44%	0.439	S	S	.	.			trans	-57.6	130.4	169.5	170.9	166	-174	112.1	8.8	109.7	E416 H419 D578 D604	E416-R602 IonicContact OE1-CZ 3.28Å; E416-R602 IonicContact OE1-NH1 3.3Å; E416-R602 PolarHBondContact OE1-NH1 2.97Å; E416-R602 IonicContact OE1-NH2 4Å; E416-R602 PolarHBondContact OE1-NH2 3.25Å; E416-R602 IonicContact OE2-CZ 3.41Å; E416-R602 IonicContact OE2-NH1 3.39Å; E416-R602 PolarHBondContact OE2-NH1 3Å; E416-R602 IonicContact OE2-NH2 2.65Å; H419-R602 PolarHBondContact CD2-NH2 2.85Å; D578-R602 HydrophobicContact CB-CG 4.19Å; D578-R602 WeakPolarHBondContact OD1-CA 3.42Å; D578-R602 WeakPolarHBondContact OD2-CB 3.4Å; D578-R602 VanDerWaalsContact OD2-CG 3.29Å; D578-R602 WeakPolarHBondContact OD2-CG 3.12Å; D578-R602 IonicContact OD2-NH1 2.67Å; R602-D604 IonicContact CZ-OD1 4Å; R602-D604 VanDerWaalsContact CZ-OD1 3.23Å; R602-D604 IonicContact NE-OD1 2.82Å; R602-D604 PolarHBondContact NE-OD1 3.44Å; R602-D604 IonicContact NE-OD2 2.71Å; R602-D604 IonicContact NH2-OD1 3.88Å; R602-D604 PolarHBondContact NH2-OD1 2.85Å
603	K	92.6	Very high	76.3	Confident	117 Å²	117	80.4 Å²	80.4	51%	0.509	40%	0.403	S	S	.	.			trans	-122.8	98.4	175.3	179.7	177.6	169.7	-174.1	0	109.2	D578 L579 R601 T605	D578-K603 PolarHBondContact OD1-N 2.94Å; L579-K603 HydrophobicContact CB-CB 4.3Å; L579-K603 HydrophobicContact CB-CG 4.47Å; L579-K603 WeakPolarHBondContact CB-O 3.36Å; L579-K603 HydrophobicContact CD2-CD 3.85Å; L579-K603 PolarHBondContact N-O 3.45Å; R601-K603 PolarHBondContact O-N 3.25Å; K603-T605 PolarHBondContact O-N 2.84Å; K603-T605 PolarHBondContact O-OG1 2.63Å
604	D	93.9	Very high	77.5	Confident	91 Å²	91	82.9 Å²	82.9	49%	0.487	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	121.1	179.2	-71.7	-43.4	0	0	0	110.9	R576 R602	R576-D604 HydrophobicContact CB-CB 4.13Å; R602-D604 IonicContact CZ-OD1 4Å; R602-D604 VanDerWaalsContact CZ-OD1 3.23Å; R602-D604 IonicContact NE-OD1 2.82Å; R602-D604 PolarHBondContact NE-OD1 3.44Å; R602-D604 IonicContact NE-OD2 2.71Å; R602-D604 IonicContact NH2-OD1 3.88Å; R602-D604 PolarHBondContact NH2-OD1 2.85Å
605	T	95.1	Very high	78	Confident	17 Å²	17	78.6 Å²	78.6	10%	0.104	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	141.6	-176.3	-58.8	0	0	0	0	109.6	R576 F577 K603 A607	R576-T605 CarbonylContact C-O 3.4Å; R576-T605 VanDerWaalsContact CA-O 3.23Å; R576-T605 WeakPolarHBondContact CA-O 3.34Å; F577-T605 WeakPolarHBondContact CD1-O 3.41Å; F577-T605 HydrophobicContact CE1-CG2 4.01Å; F577-T605 HydrophobicContact CZ-CG2 4.48Å; F577-T605 PolarHBondContact N-O 3.42Å; F577-T605 PolarHBondContact O-N 3.49Å; K603-T605 PolarHBondContact O-N 2.84Å; K603-T605 PolarHBondContact O-OG1 2.63Å; T605-A607 PolarHBondContact O-N 2.87Å
606	P	95.5	Very high	78.4	Confident	52 Å²	52	76.2 Å²	76.2	34%	0.338	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.3	129.6	174.2	-26.4	34.7	0	0	0	113	F577 I608	F577-P606 WeakPolarHBondContact CE1-O 3Å; P606-I608 VanDerWaalsContact C-N 3.32Å; P606-I608 WeakPolarHBondContact CB-O 3.13Å
607	A	92.9	Very high	78.8	Confident	0 Å²	0	80 Å²	80	0%	0	41%	0.414	C	S	.	.	S	Bend	trans	-68.1	-35.7	176.4	0	0	0	0	0	111.7	L575 F577 T605 V625 H626 L629	L575-A607 HydrophobicContact CB-CB 4.4Å; L575-A607 HydrophobicContact CD2-CB 3.84Å; L575-A607 HydrophobicContact CG-CB 3.89Å; L575-A607 PolarHBondContact O-N 2.9Å; F577-A607 HydrophobicContact CD1-CB 4.37Å; T605-A607 PolarHBondContact O-N 2.87Å; A607-V625 WeakPolarHBondContact O-CA 3.43Å; A607-H626 PolarHBondContact O-N 3.49Å; A607-L629 HydrophobicContact CB-CD2 3.88Å
608	I	91.5	Very high	79.3	Confident	3 Å²	3	82.9 Å²	82.9	2%	0.015	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	156.9	177.7	63.7	169.1	0	0	0	111.1	I466 Y568 I571 Y572 P606 I623 K624 V625	I466-I608 HydrophobicContact CD1-CD1 4.49Å; I466-I608 HydrophobicContact CD1-CG2 3.92Å; Y568-I608 HydrophobicContact CE2-CD1 3.81Å; I571-I608 HydrophobicContact CG2-CD1 3.69Å; I571-I608 HydrophobicContact CG2-CG1 4.32Å; Y572-I608 HydrophobicContact CD2-CD1 4.21Å; Y572-I608 HydrophobicContact CD2-CG1 4.27Å; P606-I608 VanDerWaalsContact C-N 3.32Å; P606-I608 WeakPolarHBondContact CB-O 3.13Å; I608-I623 HydrophobicContact CB-CG2 4.05Å; I608-I623 HydrophobicContact CD1-CG2 4.25Å; I608-I623 HydrophobicContact CG2-CG2 4.22Å; I608-K624 CarbonylContact C-O 3.45Å; I608-K624 VanDerWaalsContact CA-O 3.24Å; I608-K624 WeakPolarHBondContact CA-O 3.45Å; I608-V625 HydrophobicContact CG2-CG2 4.24Å
609	F	90	Very high	79.9	Confident	71 Å²	71	82.8 Å²	82.8	31%	0.311	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	152.4	172.2	54.5	-83	0	0	0	109.8	V611 K624	F609-V611 HydrophobicContact CD2-CG2 3.53Å; F609-V611 HydrophobicContact CE2-CG2 3.44Å; F609-V611 VanDerWaalsContact CE2-CG2 3.44Å; F609-K624 WeakPolarHBondContact CD1-O 3.3Å; F609-K624 HydrophobicContact CD2-CB 4.16Å; F609-K624 HydrophobicContact CE1-CB 4.09Å; F609-K624 HydrophobicContact CE2-CB 3.66Å; F609-K624 HydrophobicContact CE2-CD 4.21Å; F609-K624 HydrophobicContact CE2-CG 4.44Å; F609-K624 HydrophobicContact CZ-CB 3.61Å; F609-K624 PolarHBondContact N-O 2.85Å; F609-K624 PolarHBondContact O-N 3.13Å
610	E	87.8	Confident	79.9	Confident	57 Å²	57	77.5 Å²	77.5	27%	0.266	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	137.1	173.7	-68.1	-167.4	165.1	0	0	110.3	S480 Y568 Y572 N621 E622	S480-E610 WeakPolarHBondContact CB-OE1 3.35Å; S480-E610 PolarHBondContact OG-OE1 2.9Å; Y568-E610 PolarHBondContact OH-OE1 3.4Å; Y572-E610 HydrophobicContact CE2-CG 3.95Å; E610-N621 PolarHBondContact OE2-ND2 3.31Å; E610-E622 CarbonylContact C-O 3.29Å; E610-E622 WeakPolarHBondContact CA-O 3.42Å
611	V	85.3	Confident	80.1	Confident	46 Å²	46	79 Å²	79	28%	0.279	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.8	172.2	-179.7	0	0	0	0	109	F609 A613 E622 K624	F609-V611 HydrophobicContact CD2-CG2 3.53Å; F609-V611 HydrophobicContact CE2-CG2 3.44Å; F609-V611 VanDerWaalsContact CE2-CG2 3.44Å; V611-A613 PolarHBondContact O-N 3.31Å; V611-E622 PolarHBondContact N-O 2.96Å; V611-E622 PolarHBondContact O-N 3.29Å; V611-K624 HydrophobicContact CB-CD 4.24Å; V611-K624 HydrophobicContact CG2-CD 3.78Å; V611-K624 HydrophobicContact CG2-CG 4.28Å
612	L	81.2	Confident	80	Confident	99 Å²	99	69.9 Å²	69.9	52%	0.518	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	109.6	172.3	-167.7	126.3	0	0	0	108.8	E614 V619	L612-E614 HydrophobicContact CD2-CG 3.86Å; L612-V619 HydrophobicContact CD1-CG1 3.58Å; L612-V619 HydrophobicContact CD2-CG1 3.45Å; L612-V619 VanDerWaalsContact CD2-CG1 3.45Å; L612-V619 HydrophobicContact CG-CG1 3.34Å
613	A	72.9	Confident	79.7	Confident	15 Å²	15	65.4 Å²	65.4	12%	0.124	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121	175	0	0	0	0	0	109.4	V611 F615 V619 T620 E622	V611-A613 PolarHBondContact O-N 3.31Å; A613-F615 HydrophobicContact CB-CD2 4.47Å; A613-F615 HydrophobicContact CB-CE2 3.84Å; A613-F615 HydrophobicContact CB-CZ 4.33Å; A613-V619 WeakPolarHBondContact O-CA 3.44Å; A613-T620 PolarHBondContact N-O 3.25Å; A613-T620 PolarHBondContact O-N 2.81Å; A613-E622 HydrophobicContact CB-CG 3.66Å; A613-E622 WeakPolarHBondContact CB-OE1 3.43Å
614	E	71.9	Confident	79.4	Confident	157 Å²	157	62.8 Å²	62.8	73%	0.734	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	108.7	175.9	-62.5	-177.1	174.8	0	0	109.3	L612 V619	L612-E614 HydrophobicContact CD2-CG 3.86Å; E614-V619 HydrophobicContact CG-CG2 4.29Å
615	F	61.8	Low	79.2	Confident	101 Å²	101	58.8 Å²	58.8	44%	0.443	32%	0.315	S	S	.	.			trans	-95.1	156.6	166.2	-62.1	-81.4	0	0	0	109.4	A613 T617 E618 T620 E622	A613-F615 HydrophobicContact CB-CD2 4.47Å; A613-F615 HydrophobicContact CB-CE2 3.84Å; A613-F615 HydrophobicContact CB-CZ 4.33Å; F615-T617 PolarHBondContact O-N 3.11Å; F615-E618 WeakPolarHBondContact CA-O 3.4Å; F615-E618 WeakPolarHBondContact CB-O 3.14Å; F615-E618 PolarHBondContact N-O 3.12Å; F615-E618 PolarHBondContact O-N 2.92Å; F615-E618 VanDerWaalsContact O-O 3.09Å; F615-T620 WeakPolarHBondContact CE2-OG1 3.35Å; F615-E622 WeakPolarHBondContact CZ-OE1 3.1Å
616	P	59.3	Low	79	Confident	139 Å²	139	59.9 Å²	59.9	90%	0.903	32%	0.319	S	S	*	.	S	Bend	trans	-55.3	-24.9	-179	-26.6	34.5	0	0	0	114.8
617	T	58	Low	78.7	Confident	111 Å²	111	60.9 Å²	60.9	68%	0.681	33%	0.326	S	S	*	.	S	Bend	trans	-106.8	-25.3	-177.5	51.8	0	0	0	0	113.6	F615	F615-T617 PolarHBondContact O-N 3.11Å
618	E	61.4	Low	78.7	Confident	94 Å²	94	63 Å²	63	44%	0.439	34%	0.339	S	S	.	.			trans	-152.8	150.2	-167.6	-65.6	-176.5	-176.9	0	0	111.8	F615 T620	F615-E618 WeakPolarHBondContact CA-O 3.4Å; F615-E618 WeakPolarHBondContact CB-O 3.14Å; F615-E618 PolarHBondContact N-O 3.12Å; F615-E618 PolarHBondContact O-N 2.92Å; F615-E618 VanDerWaalsContact O-O 3.09Å; E618-T620 HydrophobicContact CB-CG2 4.42Å
619	V	70.3	Confident	78.7	Confident	89 Å²	89	62.8 Å²	62.8	54%	0.539	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.2	170.6	178.9	0	0	0	0	107.6	L612 A613 E614	L612-V619 HydrophobicContact CD1-CG1 3.58Å; L612-V619 HydrophobicContact CD2-CG1 3.45Å; L612-V619 VanDerWaalsContact CD2-CG1 3.45Å; L612-V619 HydrophobicContact CG-CG1 3.34Å; A613-V619 WeakPolarHBondContact O-CA 3.44Å; E614-V619 HydrophobicContact CG-CG2 4.29Å
620	T	67.9	Low	78.6	Confident	22 Å²	22	61.1 Å²	61.1	14%	0.135	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.5	-177.2	61.7	0	0	0	0	111.4	A613 F615 E618 E622	A613-T620 PolarHBondContact N-O 3.25Å; A613-T620 PolarHBondContact O-N 2.81Å; F615-T620 WeakPolarHBondContact CE2-OG1 3.35Å; E618-T620 HydrophobicContact CB-CG2 4.42Å; T620-E622 PolarHBondContact O-N 3.33Å
621	N	77.3	Confident	78.7	Confident	71 Å²	71	61.4 Å²	61.4	38%	0.38	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	112.4	168.7	-70.6	4.2	0	0	0	109.3	S479 E610	S479-N621 WeakPolarHBondContact CA-O 3.36Å; E610-N621 PolarHBondContact OE2-ND2 3.31Å
622	E	82.5	Confident	79	Confident	19 Å²	19	59.4 Å²	59.4	9%	0.089	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	136.6	172.5	-68.4	-177.7	166.5	0	0	110.1	E610 V611 A613 F615 T620 K624	E610-E622 CarbonylContact C-O 3.29Å; E610-E622 WeakPolarHBondContact CA-O 3.42Å; V611-E622 PolarHBondContact N-O 2.96Å; V611-E622 PolarHBondContact O-N 3.29Å; A613-E622 HydrophobicContact CB-CG 3.66Å; A613-E622 WeakPolarHBondContact CB-OE1 3.43Å; F615-E622 WeakPolarHBondContact CZ-OE1 3.1Å; T620-E622 PolarHBondContact O-N 3.33Å; E622-K624 IonicContact OE2-NZ 3.07Å
623	I	85.2	Confident	79.5	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.015	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.2	168.1	-59.1	165	0	0	0	108.5	Q476 T478 S480 A483 Y568 I608	Q476-I623 VanDerWaalsContact O-O 3.08Å; T478-I623 PolarHBondContact O-N 3.44Å; S480-I623 VanDerWaalsContact CA-CD1 3.5Å; A483-I623 HydrophobicContact CB-CD1 3.38Å; Y568-I623 HydrophobicContact CD2-CD1 4.43Å; Y568-I623 HydrophobicContact CE2-CD1 3.54Å; Y568-I623 HydrophobicContact CE2-CG1 4.13Å; I608-I623 HydrophobicContact CB-CG2 4.05Å; I608-I623 HydrophobicContact CD1-CG2 4.25Å; I608-I623 HydrophobicContact CG2-CG2 4.22Å
624	K	86.5	Confident	80.1	Confident	61 Å²	61	57.9 Å²	57.9	27%	0.265	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.8	168.5	-67.2	-171.1	-177.9	166.1	0	110.8	I608 F609 V611 E622	I608-K624 CarbonylContact C-O 3.45Å; I608-K624 VanDerWaalsContact CA-O 3.24Å; I608-K624 WeakPolarHBondContact CA-O 3.45Å; F609-K624 WeakPolarHBondContact CD1-O 3.3Å; F609-K624 HydrophobicContact CD2-CB 4.16Å; F609-K624 HydrophobicContact CE1-CB 4.09Å; F609-K624 HydrophobicContact CE2-CB 3.66Å; F609-K624 HydrophobicContact CE2-CD 4.21Å; F609-K624 HydrophobicContact CE2-CG 4.44Å; F609-K624 HydrophobicContact CZ-CB 3.61Å; F609-K624 PolarHBondContact N-O 2.85Å; F609-K624 PolarHBondContact O-N 3.13Å; V611-K624 HydrophobicContact CB-CD 4.24Å; V611-K624 HydrophobicContact CG2-CD 3.78Å; V611-K624 HydrophobicContact CG2-CG 4.28Å; E622-K624 IonicContact OE2-NZ 3.07Å
625	V	89.4	Confident	80.9	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.042	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	142.8	169	-177.3	0	0	0	0	108.8	L469 I470 A607 I608 L629 I630	L469-V625 HydrophobicContact CB-CG2 4.29Å; I470-V625 HydrophobicContact CD1-CG1 4.32Å; I470-V625 HydrophobicContact CG1-CB 4.49Å; I470-V625 HydrophobicContact CG1-CG1 3.83Å; I470-V625 HydrophobicContact CG1-CG2 4.01Å; A607-V625 WeakPolarHBondContact O-CA 3.43Å; I608-V625 HydrophobicContact CG2-CG2 4.24Å; V625-L629 HydrophobicContact CG1-CB 4.2Å; V625-L629 HydrophobicContact CG1-CD2 3.92Å; V625-L629 HydrophobicContact CG1-CG 4.29Å; V625-I630 HydrophobicContact CB-CD1 4.04Å; V625-I630 HydrophobicContact CB-CG1 3.91Å; V625-I630 HydrophobicContact CG1-CD1 4.43Å; V625-I630 HydrophobicContact CG1-CG1 3.77Å
626	H	91	Very high	82.2	Confident	40 Å²	40	46.7 Å²	46.7	19%	0.185	26%	0.257	C	S	.	.			trans	-54.6	127.2	173.4	-162.9	-73.9	0	0	0	112.6	F577 L579 A607 T628 L629 I630	F577-H626 HydrophobicContact CE1-CB 3.5Å; F577-H626 AromaticContact CE1-CG 3.56Å; F577-H626 AromaticContact CE1-ND1 3.99Å; F577-H626 HydrophobicContact CZ-CB 3.84Å; F577-H626 AromaticContact CZ-CG 3.58Å; F577-H626 AromaticContact CZ-ND1 3.49Å; F577-H626 WeakPolarHBondContact CZ-ND1 3.12Å; L579-H626 VanDerWaalsContact CD1-CE1 3.41Å; L579-H626 WeakPolarHBondContact CD1-CE1 3.14Å; A607-H626 PolarHBondContact O-N 3.49Å; H626-T628 VanDerWaalsContact C-N 3.32Å; H626-T628 PolarHBondContact CE1-OG1 3.07Å; H626-T628 VanDerWaalsContact CE1-OG1 3.29Å; H626-T628 PolarHBondContact ND1-N 3.33Å; H626-T628 PolarHBondContact ND1-OG1 3.45Å; H626-T628 PolarHBondContact O-N 3.39Å; H626-L629 HydrophobicContact CB-CB 4.29Å; H626-L629 WeakPolarHBondContact O-CA 2.99Å; H626-L629 WeakPolarHBondContact O-CB 3.37Å; H626-L629 PolarHBondContact O-N 2.97Å; H626-I630 PolarHBondContact O-N 3.45Å; H626-I630 VanDerWaalsContact O-N 3.15Å
627	P	89.3	Confident	83.2	Confident	74 Å²	74	42.5 Å²	42.5	48%	0.481	23%	0.227	S	C	.	.	H	α-helix	trans	-56.4	-39.8	-176	-28.5	35.1	0	0	0	114.6	L629 I630 N631	P627-L629 VanDerWaalsContact C-N 3.26Å; P627-L629 PolarHBondContact O-N 3.45Å; P627-I630 PolarHBondContact O-N 3.5Å; P627-N631 PolarHBondContact O-N 3.43Å; P627-N631 PolarHBondContact O-ND2 3.26Å
628	T	92.2	Very high	84.4	Confident	43 Å²	43	38.7 Å²	38.7	26%	0.264	20%	0.2	S	C	.	.	H	α-helix	trans	-60	-36.3	175	-49.6	0	0	0	0	112.5	F577 L579 P582 H626 N631 W632	F577-T628 HydrophobicContact CE2-CG2 4.36Å; L579-T628 HydrophobicContact CD1-CG2 3.89Å; L579-T628 WeakPolarHBondContact CD1-OG1 3.34Å; P582-T628 HydrophobicContact CG-CG2 4.11Å; H626-T628 VanDerWaalsContact C-N 3.32Å; H626-T628 PolarHBondContact CE1-OG1 3.07Å; H626-T628 VanDerWaalsContact CE1-OG1 3.29Å; H626-T628 PolarHBondContact ND1-N 3.33Å; H626-T628 PolarHBondContact ND1-OG1 3.45Å; H626-T628 PolarHBondContact O-N 3.39Å; T628-N631 PolarHBondContact O-N 3.03Å; T628-W632 WeakPolarHBondContact O-CB 3.1Å; T628-W632 PolarHBondContact O-N 3.4Å
629	L	92.4	Very high	85.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-70.1	-43.3	177.9	-174.2	60.9	0	0	0	110.8	W420 I470 F577 A607 V625 H626 P627 N631 W632 Y633	W420-L629 HydrophobicContact CH2-CD1 4.06Å; W420-L629 HydrophobicContact CH2-CD2 3.95Å; W420-L629 HydrophobicContact CZ2-CD1 4.21Å; W420-L629 HydrophobicContact CZ2-CD2 4.24Å; I470-L629 HydrophobicContact CD1-CD2 4.1Å; I470-L629 HydrophobicContact CD1-CG 4.18Å; F577-L629 HydrophobicContact CB-CD1 4.37Å; F577-L629 HydrophobicContact CD1-CB 4.45Å; F577-L629 HydrophobicContact CD1-CD2 4.3Å; F577-L629 HydrophobicContact CD2-CB 4.34Å; F577-L629 HydrophobicContact CD2-CD1 3.96Å; F577-L629 HydrophobicContact CE1-CB 4.22Å; F577-L629 HydrophobicContact CE2-CB 4.08Å; F577-L629 HydrophobicContact CE2-CD1 4.46Å; F577-L629 HydrophobicContact CG-CD1 4.09Å; F577-L629 HydrophobicContact CG-CD2 4.43Å; F577-L629 HydrophobicContact CZ-CB 4.04Å; A607-L629 HydrophobicContact CB-CD2 3.88Å; V625-L629 HydrophobicContact CG1-CB 4.2Å; V625-L629 HydrophobicContact CG1-CD2 3.92Å; V625-L629 HydrophobicContact CG1-CG 4.29Å; H626-L629 HydrophobicContact CB-CB 4.29Å; H626-L629 WeakPolarHBondContact O-CA 2.99Å; H626-L629 WeakPolarHBondContact O-CB 3.37Å; H626-L629 PolarHBondContact O-N 2.97Å; P627-L629 VanDerWaalsContact C-N 3.26Å; P627-L629 PolarHBondContact O-N 3.45Å; L629-N631 VanDerWaalsContact C-N 3.33Å; L629-N631 PolarHBondContact O-N 3.1Å; L629-W632 HydrophobicContact CD1-CE3 4.31Å; L629-W632 PolarHBondContact O-N 3.27Å; L629-W632 VanDerWaalsContact O-N 3.17Å; L629-Y633 HydrophobicContact CD1-CD2 3.93Å; L629-Y633 HydrophobicContact CD1-CE2 3.67Å; L629-Y633 HydrophobicContact CG-CD2 4.14Å; L629-Y633 HydrophobicContact CG-CE2 4.03Å; L629-Y633 WeakPolarHBondContact O-CD2 3.22Å; L629-Y633 PolarHBondContact O-N 2.94Å
630	I	88	Confident	85.7	Confident	36 Å²	36	32.3 Å²	32.3	19%	0.185	17%	0.169	C	C	.	.	H	α-helix	trans	-57.2	-47.8	173.5	-60.2	173.8	0	0	0	110.5	V625 H626 P627 W632 Y633 R634	V625-I630 HydrophobicContact CB-CD1 4.04Å; V625-I630 HydrophobicContact CB-CG1 3.91Å; V625-I630 HydrophobicContact CG1-CD1 4.43Å; V625-I630 HydrophobicContact CG1-CG1 3.77Å; H626-I630 PolarHBondContact O-N 3.45Å; H626-I630 VanDerWaalsContact O-N 3.15Å; P627-I630 PolarHBondContact O-N 3.5Å; I630-W632 VanDerWaalsContact C-N 3.32Å; I630-W632 PolarHBondContact O-N 2.89Å; I630-Y633 PolarHBondContact O-N 3.2Å; I630-R634 PolarHBondContact O-N 3.29Å
631	N	88.7	Confident	86.6	Confident	63 Å²	63	31.6 Å²	31.6	34%	0.337	16%	0.164	S	C	.	.	H	α-helix	trans	-62.7	-39.3	178	-72.1	-25.6	0	0	0	111.6	P627 T628 L629 R634 D635	P627-N631 PolarHBondContact O-N 3.43Å; P627-N631 PolarHBondContact O-ND2 3.26Å; T628-N631 PolarHBondContact O-N 3.03Å; L629-N631 VanDerWaalsContact C-N 3.33Å; L629-N631 PolarHBondContact O-N 3.1Å; N631-R634 PolarHBondContact O-N 3.34Å; N631-R634 VanDerWaalsContact OD1-CZ 3.22Å; N631-R634 PolarHBondContact OD1-NH1 2.91Å; N631-R634 PolarHBondContact OD1-NH2 3.39Å; N631-D635 VanDerWaalsContact O-CB 3.32Å; N631-D635 WeakPolarHBondContact O-CB 3.27Å; N631-D635 PolarHBondContact O-N 2.98Å
632	W	92.4	Very high	87.1	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.015	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-45.5	176.3	-169.5	1.8	0	0	0	111.7	L409 A412 L413 E416 F577 P582 T628 L629 I630 R634 D635 A636	L409-W632 PolarHBondContact O-NE1 3.32Å; A412-W632 HydrophobicContact CB-CZ2 3.87Å; L413-W632 HydrophobicContact CB-CZ2 4.18Å; L413-W632 HydrophobicContact CD1-CD2 3.96Å; L413-W632 HydrophobicContact CD1-CE3 4.22Å; L413-W632 HydrophobicContact CD1-CG 4.37Å; L413-W632 HydrophobicContact CD1-CZ2 4.35Å; E416-W632 HydrophobicContact CB-CH2 4.01Å; E416-W632 HydrophobicContact CB-CZ3 4.48Å; E416-W632 HydrophobicContact CG-CH2 4.21Å; E416-W632 HydrophobicContact CG-CZ3 4.24Å; F577-W632 HydrophobicContact CD2-CE3 4.37Å; F577-W632 HydrophobicContact CD2-CZ3 4.34Å; P582-W632 HydrophobicContact CB-CB 4.43Å; P582-W632 HydrophobicContact CB-CD2 4.19Å; P582-W632 HydrophobicContact CB-CG 4.02Å; P582-W632 HydrophobicContact CG-CB 4.38Å; P582-W632 HydrophobicContact CG-CD2 4.15Å; P582-W632 HydrophobicContact CG-CE3 4.27Å; P582-W632 HydrophobicContact CG-CG 4.22Å; T628-W632 WeakPolarHBondContact O-CB 3.1Å; T628-W632 PolarHBondContact O-N 3.4Å; L629-W632 HydrophobicContact CD1-CE3 4.31Å; L629-W632 PolarHBondContact O-N 3.27Å; L629-W632 VanDerWaalsContact O-N 3.17Å; I630-W632 VanDerWaalsContact C-N 3.32Å; I630-W632 PolarHBondContact O-N 2.89Å; W632-R634 VanDerWaalsContact C-N 3.35Å; W632-R634 PolarHBondContact O-N 3.19Å; W632-D635 PolarHBondContact O-N 3.44Å; W632-A636 WeakPolarHBondContact O-CB 3.47Å; W632-A636 PolarHBondContact O-N 3.49Å
633	Y	90.2	Very high	87.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.3	-44.3	175	-90.2	-117.2	0	0	0	112.1	L413 W420 D467 I470 L629 I630 A636 D637 Y638	L413-Y633 HydrophobicContact CD1-CD2 3.97Å; L413-Y633 HydrophobicContact CD1-CE2 3.6Å; L413-Y633 HydrophobicContact CD2-CD1 4.44Å; L413-Y633 HydrophobicContact CD2-CD2 3.83Å; L413-Y633 HydrophobicContact CD2-CE2 3.96Å; L413-Y633 HydrophobicContact CD2-CG 4.09Å; L413-Y633 HydrophobicContact CG-CE2 4.27Å; W420-Y633 HydrophobicContact CH2-CE2 4.4Å; W420-Y633 WeakPolarHBondContact CZ3-OH 3.43Å; D467-Y633 VanDerWaalsContact OD1-CE1 3.26Å; D467-Y633 WeakPolarHBondContact OD1-CE1 3.43Å; D467-Y633 PolarHBondContact OD1-OH 2.92Å; I470-Y633 HydrophobicContact CB-CD1 4.18Å; I470-Y633 HydrophobicContact CB-CE1 4.45Å; I470-Y633 HydrophobicContact CD1-CD1 3.94Å; I470-Y633 HydrophobicContact CD1-CD2 3.85Å; I470-Y633 HydrophobicContact CD1-CE1 3.62Å; I470-Y633 HydrophobicContact CD1-CE2 3.48Å; I470-Y633 VanDerWaalsContact CD1-CE2 3.48Å; I470-Y633 HydrophobicContact CD1-CG 4.08Å; I470-Y633 HydrophobicContact CG2-CD1 3.66Å; I470-Y633 HydrophobicContact CG2-CD2 4.33Å; I470-Y633 HydrophobicContact CG2-CE1 4.38Å; I470-Y633 HydrophobicContact CG2-CG 3.65Å; L629-Y633 HydrophobicContact CD1-CD2 3.93Å; L629-Y633 HydrophobicContact CD1-CE2 3.67Å; L629-Y633 HydrophobicContact CG-CD2 4.14Å; L629-Y633 HydrophobicContact CG-CE2 4.03Å; L629-Y633 WeakPolarHBondContact O-CD2 3.22Å; L629-Y633 PolarHBondContact O-N 2.94Å; I630-Y633 PolarHBondContact O-N 3.2Å; Y633-A636 CarbonylContact O-C 3.55Å; Y633-A636 PolarHBondContact O-N 3.2Å; Y633-D637 PolarHBondContact O-N 3.17Å; Y633-Y638 WeakPolarHBondContact CB-O 3.32Å; Y633-Y638 HydrophobicContact CD1-CD1 4.06Å; Y633-Y638 WeakPolarHBondContact CD1-O 3.48Å; Y633-Y638 AromaticContact CE1-CD1 3.74Å; Y633-Y638 HydrophobicContact CE1-CD1 3.74Å; Y633-Y638 HydrophobicContact CE1-CE1 4.14Å; Y633-Y638 PolarHBondContact O-N 2.86Å
634	R	85.9	Confident	87.5	Confident	81 Å²	81	30.8 Å²	30.8	31%	0.306	16%	0.161	S	C	.	.	H	α-helix	trans	-60.5	-50.7	175.3	-179.7	-175.3	69.2	-136.1	-8.4	112.1	F393 I630 N631 W632 A636 D637	F393-R634 HydrophobicContact CB-CG 3.77Å; F393-R634 HydrophobicContact CD1-CB 3.97Å; F393-R634 HydrophobicContact CD1-CG 4.01Å; F393-R634 HydrophobicContact CD2-CB 4.11Å; F393-R634 HydrophobicContact CD2-CG 3.89Å; F393-R634 HydrophobicContact CE1-CB 4.09Å; F393-R634 HydrophobicContact CE2-CB 4.23Å; F393-R634 HydrophobicContact CG-CB 3.98Å; F393-R634 HydrophobicContact CG-CG 3.61Å; F393-R634 HydrophobicContact CZ-CB 4.21Å; I630-R634 PolarHBondContact O-N 3.29Å; N631-R634 PolarHBondContact O-N 3.34Å; N631-R634 VanDerWaalsContact OD1-CZ 3.22Å; N631-R634 PolarHBondContact OD1-NH1 2.91Å; N631-R634 PolarHBondContact OD1-NH2 3.39Å; W632-R634 VanDerWaalsContact C-N 3.35Å; W632-R634 PolarHBondContact O-N 3.19Å; R634-A636 PolarHBondContact O-N 2.77Å; R634-D637 PolarHBondContact O-N 3.13Å
635	D	88.7	Confident	87.8	Confident	21 Å²	21	28 Å²	28	11%	0.112	15%	0.149	C	C	.	.	H	α-helix	trans	-68.8	-25.8	-176.9	-63.8	-6.7	0	0	0	111.8	L401 K406 L409 R586 N631 W632	L401-D635 HydrophobicContact CD1-CB 3.68Å; K406-D635 WeakPolarHBondContact CG-O 3.34Å; L409-D635 HydrophobicContact CD1-CB 3.87Å; R586-D635 IonicContact CZ-OD2 3.54Å; R586-D635 IonicContact NH2-OD2 2.77Å; R586-D635 PolarHBondContact NH2-OD2 3.36Å; N631-D635 VanDerWaalsContact O-CB 3.32Å; N631-D635 WeakPolarHBondContact O-CB 3.27Å; N631-D635 PolarHBondContact O-N 2.98Å; W632-D635 PolarHBondContact O-N 3.44Å
636	A	89.1	Confident	87.8	Confident	3 Å²	3	28.2 Å²	28.2	3%	0.025	15%	0.151	C	C	.	.	H	α-helix	trans	-86.4	-8.5	172.7	0	0	0	0	0	114	L409 H410 L413 W632 Y633 R634 Y638	L409-A636 HydrophobicContact CB-CB 4.39Å; H410-A636 HydrophobicContact CB-CB 4.24Å; L413-A636 HydrophobicContact CD2-CB 3.92Å; W632-A636 WeakPolarHBondContact O-CB 3.47Å; W632-A636 PolarHBondContact O-N 3.49Å; Y633-A636 CarbonylContact O-C 3.55Å; Y633-A636 PolarHBondContact O-N 3.2Å; R634-A636 PolarHBondContact O-N 2.77Å; A636-Y638 VanDerWaalsContact C-N 3.28Å; A636-Y638 PolarHBondContact O-N 2.89Å
637	D	81.3	Confident	87.8	Confident	51 Å²	51	27 Å²	27	27%	0.273	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	52	-173.3	-163.7	32.7	0	0	0	112.3	K406 Y633 R634	K406-D637 HydrophobicContact CD-CB 4.48Å; K406-D637 WeakPolarHBondContact CE-OD2 3.28Å; K406-D637 VanDerWaalsContact NZ-CG 3.3Å; K406-D637 IonicContact NZ-OD2 3.98Å; K406-D637 PolarHBondContact NZ-OD2 2.88Å; Y633-D637 PolarHBondContact O-N 3.17Å; R634-D637 PolarHBondContact O-N 3.13Å
638	Y	83.1	Confident	88.1	Confident	31 Å²	31	23.5 Å²	23.5	12%	0.122	13%	0.125	C	C	.	.			trans	-131.2	149.8	-178.2	-173	-92.6	0	0	0	110	H410 L413 I414 R417 Y633 A636	H410-Y638 AromaticContact CE1-CD2 3.58Å; L413-Y638 HydrophobicContact CD2-CD1 3.86Å; L413-Y638 HydrophobicContact CD2-CG 4.12Å; I414-Y638 HydrophobicContact CD1-CD2 4.48Å; I414-Y638 HydrophobicContact CD1-CE2 4.16Å; R417-Y638 VanDerWaalsContact NH1-CZ 3.35Å; R417-Y638 PolarHBondContact NH1-OH 3.02Å; R417-Y638 PolarHBondContact NH2-OH 3Å; Y633-Y638 WeakPolarHBondContact CB-O 3.32Å; Y633-Y638 HydrophobicContact CD1-CD1 4.06Å; Y633-Y638 WeakPolarHBondContact CD1-O 3.48Å; Y633-Y638 AromaticContact CE1-CD1 3.74Å; Y633-Y638 HydrophobicContact CE1-CD1 3.74Å; Y633-Y638 HydrophobicContact CE1-CE1 4.14Å; Y633-Y638 PolarHBondContact O-N 2.86Å; A636-Y638 VanDerWaalsContact C-N 3.28Å; A636-Y638 PolarHBondContact O-N 2.89Å
639	P	76.7	Confident	88.4	Confident	14 Å²	14	21.6 Å²	21.6	9%	0.091	11%	0.113	C	C	.	.	S	Bend	cis	-69.8	165.9	-15.7	33.2	-41.8	0	0	0	113.2	D467 V471	D467-P639 HydrophobicContact CB-CG 4.16Å; V471-P639 HydrophobicContact CG2-CG 3.47Å; V471-P639 VanDerWaalsContact CG2-CG 3.47Å
640	P	82.4	Confident	88.6	Confident	35 Å²	35	21.6 Å²	21.6	23%	0.227	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-57	167.6	160.1	28.7	-36.2	0	0	0	110.6	T385 S642	T385-P640 HydrophobicContact CG2-CG 3.79Å; P640-S642 PolarHBondContact O-N 3.47Å
641	L	87.1	Confident	89	Confident	6 Å²	6	21 Å²	21	3%	0.031	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	141.9	169.9	-55.6	175.3	0	0	0	108.3	T385 V386 P388 P392 F643 L784 Y785	T385-L641 CarbonylContact C-O 3.58Å; T385-L641 VanDerWaalsContact CA-O 3.29Å; T385-L641 WeakPolarHBondContact CA-O 3.47Å; V386-L641 HydrophobicContact CB-CB 4.24Å; V386-L641 PolarHBondContact N-O 3.17Å; V386-L641 WeakPolarHBondContact O-CB 3.44Å; V386-L641 PolarHBondContact O-N 2.88Å; P388-L641 HydrophobicContact CB-CD1 3.91Å; P388-L641 HydrophobicContact CB-CG 3.91Å; P392-L641 HydrophobicContact CB-CD2 4.27Å; P392-L641 HydrophobicContact CG-CD2 4.03Å; L641-F643 HydrophobicContact CB-CD2 4.43Å; L641-F643 HydrophobicContact CB-CE2 3.62Å; L641-F643 HydrophobicContact CB-CZ 4.15Å; L641-F643 HydrophobicContact CD1-CE2 4.29Å; L641-F643 HydrophobicContact CD1-CZ 4.35Å; L641-L784 HydrophobicContact CD1-CD1 4.43Å; L641-L784 HydrophobicContact CD1-CG 4.23Å; L641-L784 HydrophobicContact CD2-CD2 4.31Å; L641-Y785 HydrophobicContact CD1-CD1 4.02Å; L641-Y785 HydrophobicContact CD1-CE1 4.43Å; L641-Y785 HydrophobicContact CD2-CD1 4.27Å; L641-Y785 HydrophobicContact CD2-CE1 3.83Å
642	S	87	Confident	89.4	Confident	29 Å²	29	18 Å²	18	20%	0.203	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.9	176.3	163	0	0	0	0	109.7	E383 V384 M468 P640	E383-S642 PolarHBondContact OE2-OG 3.32Å; E383-S642 VanDerWaalsContact OE2-OG 3.1Å; V384-S642 WeakPolarHBondContact O-CA 3.35Å; M468-S642 VanDerWaalsContact CE-OG 3.27Å; M468-S642 WeakPolarHBondContact CE-OG 3.27Å; P640-S642 PolarHBondContact O-N 3.47Å
643	F	89.2	Confident	89.7	Confident	14 Å²	14	17.9 Å²	17.9	6%	0.061	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.1	-175.1	-62.6	-85.5	0	0	0	109.9	E383 V384 V386 L641 A647 L648 Y785 I789 H816	E383-F643 CarbonylContact C-O 3.48Å; E383-F643 WeakPolarHBondContact CA-O 3.48Å; V384-F643 PolarHBondContact N-O 3.15Å; V384-F643 PolarHBondContact O-N 2.95Å; V386-F643 HydrophobicContact CB-CD2 4.01Å; V386-F643 HydrophobicContact CB-CE2 3.83Å; V386-F643 HydrophobicContact CG1-CE2 4.34Å; V386-F643 HydrophobicContact CG2-CD2 3.45Å; V386-F643 VanDerWaalsContact CG2-CD2 3.45Å; V386-F643 HydrophobicContact CG2-CE2 3.73Å; L641-F643 HydrophobicContact CB-CD2 4.43Å; L641-F643 HydrophobicContact CB-CE2 3.62Å; L641-F643 HydrophobicContact CB-CZ 4.15Å; L641-F643 HydrophobicContact CD1-CE2 4.29Å; L641-F643 HydrophobicContact CD1-CZ 4.35Å; F643-A647 HydrophobicContact CB-CB 4.37Å; F643-L648 HydrophobicContact CB-CD1 4.24Å; F643-L648 HydrophobicContact CB-CD2 3.94Å; F643-L648 HydrophobicContact CB-CG 3.99Å; F643-L648 HydrophobicContact CD2-CD2 4.11Å; F643-L648 HydrophobicContact CG-CD2 4Å; F643-Y785 HydrophobicContact CE1-CD1 4.37Å; F643-Y785 HydrophobicContact CE1-CD2 4.11Å; F643-Y785 HydrophobicContact CE1-CG 4.02Å; F643-Y785 AromaticContact CZ-CD1 3.87Å; F643-Y785 HydrophobicContact CZ-CD1 3.87Å; F643-Y785 HydrophobicContact CZ-CD2 4.4Å; F643-Y785 HydrophobicContact CZ-CE1 4.42Å; F643-Y785 AromaticContact CZ-CG 3.86Å; F643-Y785 HydrophobicContact CZ-CG 3.86Å; F643-I789 HydrophobicContact CE1-CD1 4.19Å; F643-I789 HydrophobicContact CE2-CD1 4.33Å; F643-I789 HydrophobicContact CE2-CG1 4.21Å; F643-I789 HydrophobicContact CZ-CD1 4.05Å; F643-I789 HydrophobicContact CZ-CG1 4.32Å; F643-H816 AromaticContact CD1-CD2 3.63Å; F643-H816 AromaticContact CD1-NE2 3.89Å; F643-H816 AromaticContact CE1-CD2 3.57Å; F643-H816 AromaticContact CE1-NE2 3.88Å
644	H	87.9	Confident	89.9	Confident	33 Å²	33	18.2 Å²	18.2	15%	0.153	10%	0.096	C	C	.	.			trans	-60.6	140.7	162.9	-170.2	-97.8	0	0	0	109.2	T382 R493 C646 A647 Y671	T382-H644 PolarHBondContact O-CD2 3.4Å; R493-H644 PolarHBondContact NH1-CD2 3.32Å; H644-C646 PolarHBondContact CE1-SG 3.48Å; H644-C646 VanDerWaalsContact ND1-CB 3.34Å; H644-C646 WeakPolarHBondContact ND1-CB 3.15Å; H644-C646 PolarHBondContact ND1-N 3.17Å; H644-C646 VanDerWaalsContact ND1-N 3.13Å; H644-C646 PolarHBondContact O-N 2.99Å; H644-A647 WeakPolarHBondContact O-CA 3.38Å; H644-A647 WeakPolarHBondContact O-CB 3.43Å; H644-A647 PolarHBondContact O-N 3.24Å; H644-Y671 AromaticContact CE1-CE2 3.95Å; H644-Y671 AromaticContact NE2-CE2 3.86Å
645	P	91.5	Very high	90.4	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.013	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-49.7	-37.6	177	-28.2	31	0	0	0	113.2	V378 E379 T382 V384 A647 L648	V378-P645 HydrophobicContact CG1-CB 4.36Å; V378-P645 WeakPolarHBondContact O-CG 3.42Å; E379-P645 HydrophobicContact CB-CB 4.48Å; E379-P645 HydrophobicContact CG-CB 4.07Å; T382-P645 VanDerWaalsContact C-CD 3.47Å; T382-P645 WeakPolarHBondContact O-CD 3.32Å; V384-P645 HydrophobicContact CG2-CB 4.23Å; V384-P645 HydrophobicContact CG2-CG 3.8Å; P645-A647 PolarHBondContact O-N 3.46Å; P645-L648 WeakPolarHBondContact O-CB 3.14Å; P645-L648 PolarHBondContact O-N 3.14Å; P645-L648 VanDerWaalsContact O-N 3.09Å
646	C	89.9	Confident	90.7	Very high	13 Å²	13	13.6 Å²	13.6	9%	0.088	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-76.8	-1	178.6	-50.6	0	0	0	0	115.6	H644 L648 Y665 S668 A672	H644-C646 PolarHBondContact CE1-SG 3.48Å; H644-C646 VanDerWaalsContact ND1-CB 3.34Å; H644-C646 WeakPolarHBondContact ND1-CB 3.15Å; H644-C646 PolarHBondContact ND1-N 3.17Å; H644-C646 VanDerWaalsContact ND1-N 3.13Å; H644-C646 PolarHBondContact O-N 2.99Å; C646-L648 VanDerWaalsContact C-N 3.34Å; C646-Y665 WeakPolarHBondContact CA-OH 3.25Å; C646-Y665 HydrophobicContact CB-CD2 3.88Å; C646-Y665 HydrophobicContact CB-CE1 4.19Å; C646-Y665 HydrophobicContact CB-CE2 3.47Å; C646-Y665 VanDerWaalsContact CB-CE2 3.47Å; C646-Y665 HydrophobicContact CB-CG 4.41Å; C646-Y665 PolarHBondContact O-OH 2.67Å; C646-Y665 VanDerWaalsContact SG-CD2 3.51Å; C646-S668 WeakPolarHBondContact SG-CB 3.42Å; C646-A672 HydrophobicContact CB-CB 3.59Å; C646-A672 WeakPolarHBondContact SG-CB 3.44Å
647	A	91.3	Very high	90.9	Very high	14 Å²	14	13.6 Å²	13.6	12%	0.116	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-91.6	-2.2	167.8	0	0	0	0	0	112.1	F643 H644 P645 P815	F643-A647 HydrophobicContact CB-CB 4.37Å; H644-A647 WeakPolarHBondContact O-CA 3.38Å; H644-A647 WeakPolarHBondContact O-CB 3.43Å; H644-A647 PolarHBondContact O-N 3.24Å; P645-A647 PolarHBondContact O-N 3.46Å; A647-P815 HydrophobicContact CB-CG 4.41Å
648	L	95.6	Very high	91.3	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.069	C	C	.	.	S	Bend	trans	-114.5	157.4	-176.9	-58.7	177.5	0	0	0	112	V384 V386 F643 P645 C646 Y665 I789 Y793 P814	V384-L648 HydrophobicContact CB-CD1 3.67Å; V384-L648 HydrophobicContact CG1-CD1 3.65Å; V384-L648 HydrophobicContact CG2-CD1 4.13Å; V386-L648 HydrophobicContact CG2-CD1 4.44Å; V386-L648 HydrophobicContact CG2-CD2 4.34Å; F643-L648 HydrophobicContact CB-CD1 4.24Å; F643-L648 HydrophobicContact CB-CD2 3.94Å; F643-L648 HydrophobicContact CB-CG 3.99Å; F643-L648 HydrophobicContact CD2-CD2 4.11Å; F643-L648 HydrophobicContact CG-CD2 4Å; P645-L648 WeakPolarHBondContact O-CB 3.14Å; P645-L648 PolarHBondContact O-N 3.14Å; P645-L648 VanDerWaalsContact O-N 3.09Å; C646-L648 VanDerWaalsContact C-N 3.34Å; L648-Y665 PolarHBondContact O-OH 3.48Å; L648-I789 HydrophobicContact CD2-CD1 3.79Å; L648-I789 HydrophobicContact CD2-CG1 3.78Å; L648-I789 HydrophobicContact CD2-CG2 4.19Å; L648-Y793 HydrophobicContact CB-CE2 4.4Å; L648-Y793 WeakPolarHBondContact CB-OH 3.49Å; L648-P814 VanDerWaalsContact O-CG 3.31Å; L648-P814 WeakPolarHBondContact O-CG 3.47Å
649	P	97.2	Very high	91.4	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.013	7%	0.068	C	C	.	.			trans	-60.3	149.1	171.6	-17	27.5	0	0	0	112.8	I789 Y793 I798 F800 F817	P649-I789 HydrophobicContact CG-CG2 4.28Å; P649-Y793 HydrophobicContact CB-CD1 4.43Å; P649-Y793 HydrophobicContact CB-CE1 4.12Å; P649-Y793 HydrophobicContact CG-CD2 4.34Å; P649-Y793 HydrophobicContact CG-CE1 4.42Å; P649-Y793 HydrophobicContact CG-CE2 4.25Å; P649-Y793 HydrophobicContact CG-CG 4.49Å; P649-Y793 WeakPolarHBondContact O-CE1 3.4Å; P649-Y793 PolarHBondContact O-OH 2.92Å; P649-I798 HydrophobicContact CB-CB 3.82Å; P649-I798 HydrophobicContact CB-CD1 4.01Å; P649-I798 HydrophobicContact CB-CG1 4.35Å; P649-I798 HydrophobicContact CB-CG2 4.12Å; P649-I798 HydrophobicContact CG-CD1 4.15Å; P649-F800 HydrophobicContact CB-CD1 4.45Å; P649-F800 HydrophobicContact CB-CE1 3.94Å; P649-F800 HydrophobicContact CG-CE1 3.88Å; P649-F817 HydrophobicContact CG-CD1 3.95Å
650	M	97.5	Very high	91.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-83.1	148	173.6	-66.9	-175.5	67.7	0	0	111.3	Q375 P654 G664 Y665 L666 I798 W799 P801	Q375-M650 HydrophobicContact CG-CE 4.11Å; M650-P654 HydrophobicContact SD-CB 3.99Å; M650-P654 HydrophobicContact SD-CG 3.99Å; M650-G664 WeakPolarHBondContact CE-O 3.43Å; M650-Y665 HydrophobicContact CG-CD1 3.77Å; M650-Y665 HydrophobicContact CG-CE1 3.63Å; M650-Y665 HydrophobicContact SD-CD1 3.9Å; M650-Y665 HydrophobicContact SD-CE1 4.17Å; M650-Y665 HydrophobicContact SD-CG 4.39Å; M650-L666 HydrophobicContact CE-CG 4.42Å; M650-I798 CarbonylContact O-C 3.6Å; M650-I798 WeakPolarHBondContact O-CA 3.16Å; M650-W799 HydrophobicContact CB-CB 4.32Å; M650-W799 PolarHBondContact N-O 3.37Å; M650-W799 PolarHBondContact O-N 2.98Å; M650-P801 HydrophobicContact CG-CG 4.24Å; M650-P801 HydrophobicContact SD-CB 4.24Å; M650-P801 HydrophobicContact SD-CG 3.82Å
651	L	97.4	Very high	91.7	Very high	24 Å²	24	13.3 Å²	13.3	13%	0.126	8%	0.076	C	C	.	.	S	Bend	trans	-93.8	1.3	176.1	-64	173.8	0	0	0	113.6	A371 Q375 Y793 K796 W799	A371-L651 WeakPolarHBondContact CB-O 3.49Å; Q375-L651 HydrophobicContact CB-CB 4.4Å; L651-Y793 HydrophobicContact CD2-CD1 3.75Å; L651-Y793 HydrophobicContact CD2-CE1 3.54Å; L651-Y793 HydrophobicContact CG-CE1 4.09Å; L651-K796 HydrophobicContact CD2-CB 4.17Å; L651-K796 HydrophobicContact CD2-CD 3.78Å; L651-K796 HydrophobicContact CD2-CG 4.43Å; L651-W799 WeakPolarHBondContact O-CZ3 3.31Å
652	C	97.1	Very high	91.4	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.007	8%	0.075	C	C	.	.	S	Bend	trans	-145.7	160.5	177.7	72	0	0	0	0	110.1	A371 Y513 W799	A371-C652 HydrophobicContact CB-CB 4.16Å; Y513-C652 HydrophobicContact CE1-CB 4.48Å; Y513-C652 WeakPolarHBondContact OH-CB 3.32Å; Y513-C652 PolarHBondContact OH-SG 3.4Å; C652-W799 VanDerWaalsContact C-CE3 3.4Å
653	P	96.8	Very high	91.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.	P	Polyproline II helix	trans	-48.7	133.8	176	-31.2	33.8	0	0	0	113.1	F362 Y513 Y516 F520 W799	F362-P653 HydrophobicContact CE2-CG 3.98Å; F362-P653 HydrophobicContact CZ-CG 4.38Å; Y513-P653 WeakPolarHBondContact CE2-O 3.47Å; Y513-P653 VanDerWaalsContact OH-CD 3.24Å; Y513-P653 WeakPolarHBondContact OH-CD 3.43Å; Y513-P653 PolarHBondContact OH-O 3.37Å; Y516-P653 HydrophobicContact CE1-CB 4.23Å; F520-P653 HydrophobicContact CD1-CB 4.37Å; F520-P653 HydrophobicContact CD1-CG 3.75Å; F520-P653 HydrophobicContact CD2-CB 4.45Å; F520-P653 HydrophobicContact CE1-CB 4.31Å; F520-P653 HydrophobicContact CE1-CG 3.69Å; F520-P653 HydrophobicContact CE2-CB 4.39Å; F520-P653 HydrophobicContact CG-CB 4.45Å; F520-P653 HydrophobicContact CG-CG 4.27Å; F520-P653 HydrophobicContact CZ-CB 4.33Å; F520-P653 HydrophobicContact CZ-CG 4.16Å; P653-W799 HydrophobicContact CG-CH2 4.45Å; P653-W799 HydrophobicContact CG-CZ2 3.84Å
654	P	96.3	Very high	91.7	Very high	7 Å²	7	11.3 Å²	11.3	5%	0.045	6%	0.064	C	C	.	.	P	Polyproline II helix	trans	-63.9	152	178.2	-22.9	35.1	0	0	0	112.1	Y516 M650 P656 G664 A710 W799 P801	Y516-P654 PolarHBondContact OH-O 3.35Å; M650-P654 HydrophobicContact SD-CB 3.99Å; M650-P654 HydrophobicContact SD-CG 3.99Å; P654-P656 WeakPolarHBondContact O-CD 3.4Å; P654-G664 CarbonylContact C-O 3.53Å; P654-G664 WeakPolarHBondContact CA-O 3.5Å; P654-A710 WeakPolarHBondContact CD-O 3.43Å; P654-A710 HydrophobicContact CG-CB 4.33Å; P654-W799 HydrophobicContact CG-CB 3.92Å; P654-P801 HydrophobicContact CB-CB 4.18Å; P654-P801 HydrophobicContact CG-CB 4.3Å
655	V	95	Very high	91.9	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.012	6%	0.057	C	C	.	.	B	Isolated β-bridge	trans	-65.3	125.2	168.7	177.6	0	0	0	0	108.7	W534 G664 L666	W534-V655 HydrophobicContact CD2-CG1 4.06Å; W534-V655 HydrophobicContact CE3-CG1 4.43Å; W534-V655 HydrophobicContact CH2-CG1 4.2Å; W534-V655 HydrophobicContact CH2-CG2 4.34Å; W534-V655 HydrophobicContact CZ2-CG1 3.78Å; V655-G664 PolarHBondContact N-O 2.68Å; V655-G664 PolarHBondContact O-N 2.82Å; V655-L666 HydrophobicContact CG2-CD2 4.08Å
656	P	95.5	Very high	92	Very high	3 Å²	3	9.6 Å²	9.6	2%	0.019	6%	0.056	C	C	.	.	P	Polyproline II helix	trans	-64.9	143.8	-178.4	-25.3	36.5	0	0	0	113.7	Y516 F530 W534 P654 T658 N707	Y516-P656 HydrophobicContact CD2-CG 4.46Å; Y516-P656 HydrophobicContact CE1-CG 4.41Å; Y516-P656 HydrophobicContact CE2-CG 3.62Å; Y516-P656 WeakPolarHBondContact OH-CG 3.28Å; F530-P656 HydrophobicContact CB-CG 4.09Å; W534-P656 HydrophobicContact CB-CB 4.31Å; W534-P656 HydrophobicContact CB-CG 3.93Å; P654-P656 WeakPolarHBondContact O-CD 3.4Å; P656-T658 PolarHBondContact O-N 2.91Å; P656-N707 VanDerWaalsContact CA-OD1 3.28Å; P656-N707 WeakPolarHBondContact CA-OD1 3.43Å
657	W	94.2	Very high	91.9	Very high	4 Å²	4	9.1 Å²	9.1	2%	0.015	5%	0.052	C	C	.	.	P	Polyproline II helix	trans	-56.5	120.2	164.7	-72	106.6	0	0	0	110.7	R531 N659 L660 A663 L675 L703 N707 H802	R531-W657 WeakPolarHBondContact CD-O 3.47Å; R531-W657 WeakPolarHBondContact CG-O 3.34Å; W657-N659 VanDerWaalsContact CE3-O 3.26Å; W657-L660 WeakPolarHBondContact CZ3-O 3.38Å; W657-A663 HydrophobicContact CB-CB 4.17Å; W657-A663 HydrophobicContact CD2-CB 3.13Å; W657-A663 VanDerWaalsContact CE2-CB 3.44Å; W657-A663 HydrophobicContact CE3-CB 3.26Å; W657-A663 HydrophobicContact CG-CB 3.54Å; W657-A663 HydrophobicContact CH2-CB 3.91Å; W657-A663 HydrophobicContact CZ2-CB 3.84Å; W657-A663 HydrophobicContact CZ3-CB 3.65Å; W657-L675 HydrophobicContact CD2-CD1 3.91Å; W657-L675 HydrophobicContact CE3-CB 4.31Å; W657-L675 HydrophobicContact CE3-CD1 4.16Å; W657-L675 HydrophobicContact CG-CD1 4.37Å; W657-L675 HydrophobicContact CH2-CB 4Å; W657-L675 HydrophobicContact CZ2-CB 4.42Å; W657-L675 HydrophobicContact CZ2-CD1 4.39Å; W657-L675 HydrophobicContact CZ3-CB 3.92Å; W657-L703 HydrophobicContact CB-CB 4.07Å; W657-L703 HydrophobicContact CB-CD2 4.11Å; W657-N707 PolarHBondContact N-ND2 3.17Å; W657-N707 PolarHBondContact N-OD1 3.17Å; W657-N707 PolarHBondContact O-ND2 2.95Å; W657-H802 PolarHBondContact NE1-O 2.86Å
658	T	89.3	Confident	91.2	Very high	17 Å²	17	8.5 Å²	8.5	10%	0.104	5%	0.047	C	C	.	.	S	Bend	trans	-119.2	-17.6	170.9	50.3	0	0	0	0	113.2	R531 L535 P656 F696	R531-T658 HydrophobicContact CG-CG2 3.9Å; L535-T658 HydrophobicContact CD2-CG2 3.66Å; L535-T658 HydrophobicContact CG-CG2 4.04Å; P656-T658 PolarHBondContact O-N 2.91Å; T658-F696 WeakPolarHBondContact O-CD2 3.48Å; T658-F696 WeakPolarHBondContact O-CE2 3.33Å
659	N	85.6	Confident	90.2	Very high	17 Å²	17	8.5 Å²	8.5	9%	0.091	5%	0.047	C	C	.	.	S	Bend	trans	-150.9	-164.2	-179.9	61.4	63.5	0	0	0	109.2	Q549 W657 D661 D662 F696	Q549-N659 PolarHBondContact NE2-ND2 3.07Å; Q549-N659 VanDerWaalsContact NE2-ND2 3.13Å; W657-N659 VanDerWaalsContact CE3-O 3.26Å; N659-D661 PolarHBondContact OD1-N 3.41Å; N659-D662 WeakPolarHBondContact OD1-CB 3.41Å; N659-D662 PolarHBondContact OD1-N 3.38Å; N659-F696 HydrophobicContact CB-CD1 4.11Å; N659-F696 HydrophobicContact CB-CD2 4.29Å; N659-F696 HydrophobicContact CB-CE1 4.22Å; N659-F696 HydrophobicContact CB-CE2 4.4Å; N659-F696 HydrophobicContact CB-CG 4.15Å; N659-F696 HydrophobicContact CB-CZ 4.37Å
660	L	85.7	Confident	88.7	Confident	13 Å²	13	12.2 Å²	12.2	7%	0.068	7%	0.067	C	C	.	.	S	Bend	trans	-85.7	-20.5	-173.8	-55.4	-174.9	0	0	0	115.5	W657 L675 L692 F694 F696 I699	W657-L660 WeakPolarHBondContact CZ3-O 3.38Å; L660-L675 HydrophobicContact CD2-CD2 3.49Å; L660-L675 VanDerWaalsContact CD2-CD2 3.49Å; L660-L675 VanDerWaalsContact O-CB 3.22Å; L660-L675 WeakPolarHBondContact O-CB 3.23Å; L660-L675 PolarHBondContact O-N 3.08Å; L660-L692 HydrophobicContact CB-CD2 4.22Å; L660-L692 HydrophobicContact CD1-CB 4.09Å; L660-L692 HydrophobicContact CD1-CD2 4.35Å; L660-L692 WeakPolarHBondContact CD1-O 3.45Å; L660-F694 HydrophobicContact CD1-CE2 4.38Å; L660-F694 WeakPolarHBondContact CD1-O 3.18Å; L660-F694 HydrophobicContact CD2-CE2 3.71Å; L660-F694 HydrophobicContact CD2-CZ 3.96Å; L660-F696 HydrophobicContact CD2-CB 3.62Å; L660-F696 HydrophobicContact CG-CB 3.87Å; L660-I699 HydrophobicContact CD2-CD1 4.22Å
661	D	78.4	Confident	87.3	Confident	78 Å²	78	16.3 Å²	16.3	42%	0.417	8%	0.083	S	C	.	.	S	Bend	trans	-126.2	-6.2	-164.2	-61.1	-49.7	0	0	0	113.8	N659 L692	N659-D661 PolarHBondContact OD1-N 3.41Å; D661-L692 WeakPolarHBondContact OD1-CD1 3.08Å
662	D	80.3	Confident	86	Confident	3 Å²	3	16.8 Å²	16.8	2%	0.016	9%	0.09	C	C	.	.			trans	-131	100.9	-174.4	-176.7	22.5	0	0	0	112.6	N659 R669	N659-D662 WeakPolarHBondContact OD1-CB 3.41Å; N659-D662 PolarHBondContact OD1-N 3.38Å; D662-R669 WeakPolarHBondContact OD1-CB 3.49Å; D662-R669 WeakPolarHBondContact OD1-CD 3.39Å; D662-R669 IonicContact OD1-CZ 3.69Å; D662-R669 IonicContact OD1-NE 2.81Å; D662-R669 PolarHBondContact OD1-NE 3.16Å; D662-R669 IonicContact OD1-NH1 3.93Å; D662-R669 PolarHBondContact OD1-NH1 3.42Å; D662-R669 IonicContact OD1-NH2 3.22Å; D662-R669 IonicContact OD2-CZ 3.06Å; D662-R669 IonicContact OD2-NH1 2.58Å; D662-R669 PolarHBondContact OD2-NH1 2.95Å; D662-R669 IonicContact OD2-NH2 3.2Å
663	A	90.2	Very high	85	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.091	C	C	.	.			trans	-168	177.6	170.5	0	0	0	0	0	112.6	W657 Y665 T673	W657-A663 HydrophobicContact CB-CB 4.17Å; W657-A663 HydrophobicContact CD2-CB 3.13Å; W657-A663 VanDerWaalsContact CE2-CB 3.44Å; W657-A663 HydrophobicContact CE3-CB 3.26Å; W657-A663 HydrophobicContact CG-CB 3.54Å; W657-A663 HydrophobicContact CH2-CB 3.91Å; W657-A663 HydrophobicContact CZ2-CB 3.84Å; W657-A663 HydrophobicContact CZ3-CB 3.65Å; A663-Y665 PolarHBondContact O-N 2.68Å; A663-T673 WeakPolarHBondContact O-CB 3.35Å; A663-T673 PolarHBondContact O-OG1 3.33Å
664	G	93	Very high	84.4	Confident	3 Å²	3	18.3 Å²	18.3	3%	0.031	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	89.3	-104.1	169	0	0	0	0	0	112.7	M650 P654 V655	M650-G664 WeakPolarHBondContact CE-O 3.43Å; P654-G664 CarbonylContact C-O 3.53Å; P654-G664 WeakPolarHBondContact CA-O 3.5Å; V655-G664 PolarHBondContact N-O 2.68Å; V655-G664 PolarHBondContact O-N 2.82Å
665	Y	93.1	Very high	84.1	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-65.7	175.3	-177.4	-67.5	-77.3	0	0	0	112.8	C646 L648 M650 A663 R669 A672 T673 P801 C813 P814	C646-Y665 WeakPolarHBondContact CA-OH 3.25Å; C646-Y665 HydrophobicContact CB-CD2 3.88Å; C646-Y665 HydrophobicContact CB-CE1 4.19Å; C646-Y665 HydrophobicContact CB-CE2 3.47Å; C646-Y665 VanDerWaalsContact CB-CE2 3.47Å; C646-Y665 HydrophobicContact CB-CG 4.41Å; C646-Y665 PolarHBondContact O-OH 2.67Å; C646-Y665 VanDerWaalsContact SG-CD2 3.51Å; L648-Y665 PolarHBondContact O-OH 3.48Å; M650-Y665 HydrophobicContact CG-CD1 3.77Å; M650-Y665 HydrophobicContact CG-CE1 3.63Å; M650-Y665 HydrophobicContact SD-CD1 3.9Å; M650-Y665 HydrophobicContact SD-CE1 4.17Å; M650-Y665 HydrophobicContact SD-CG 4.39Å; A663-Y665 PolarHBondContact O-N 2.68Å; Y665-R669 WeakPolarHBondContact O-CD 3.39Å; Y665-R669 WeakPolarHBondContact O-CG 3.33Å; Y665-A672 HydrophobicContact CD2-CB 4.44Å; Y665-T673 HydrophobicContact CD2-CG2 3.64Å; Y665-T673 HydrophobicContact CE2-CG2 3.79Å; Y665-P801 HydrophobicContact CD2-CG 4.2Å; Y665-P801 HydrophobicContact CE1-CG 4.03Å; Y665-P801 HydrophobicContact CE2-CB 4.49Å; Y665-P801 HydrophobicContact CE2-CG 3.58Å; Y665-P801 VanDerWaalsContact CZ-CG 3.45Å; Y665-C813 HydrophobicContact CE2-CB 4.37Å; Y665-P814 WeakPolarHBondContact OH-CG 3.27Å
666	L	92	Very high	83.8	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-87.3	-46.8	179.8	-63.4	-178.1	0	0	0	112.4	F372 Q375 M376 E379 Y505 L509 Y513 M650 V655 R669	F372-L666 HydrophobicContact CD2-CD1 3.68Å; F372-L666 HydrophobicContact CD2-CD2 4.35Å; F372-L666 HydrophobicContact CE2-CD1 3.69Å; F372-L666 HydrophobicContact CE2-CD2 4.19Å; Q375-L666 HydrophobicContact CB-CD1 3.84Å; Q375-L666 HydrophobicContact CG-CD1 3.57Å; Q375-L666 HydrophobicContact CG-CG 3.94Å; M376-L666 HydrophobicContact CB-CD1 4.44Å; M376-L666 HydrophobicContact CE-CD1 4.4Å; E379-L666 PolarHBondContact OE1-N 3.09Å; E379-L666 PolarHBondContact OE2-N 2.97Å; E379-L666 VanDerWaalsContact OE2-N 3.08Å; Y505-L666 PolarHBondContact OH-O 3.21Å; L509-L666 HydrophobicContact CD2-CB 3.87Å; L509-L666 WeakPolarHBondContact CD2-O 3.3Å; Y513-L666 HydrophobicContact CD2-CD2 3.7Å; Y513-L666 HydrophobicContact CE2-CD2 3.73Å; Y513-L666 HydrophobicContact CG-CD2 4.49Å; M650-L666 HydrophobicContact CE-CG 4.42Å; V655-L666 HydrophobicContact CG2-CD2 4.08Å; L666-R669 PolarHBondContact O-NE 2.91Å
667	I	87.6	Confident	83.1	Confident	3 Å²	3	21.5 Å²	21.5	2%	0.015	11%	0.107	C	C	.	.	S	Bend	trans	-100.2	-42.8	-172.9	-58	-174.8	0	0	0	110.9	M376 E379 K380 V497 Q500 F506 R669	M376-I667 HydrophobicContact SD-CD1 3.56Å; M376-I667 VanDerWaalsContact SD-CD1 3.56Å; M376-I667 HydrophobicContact SD-CG1 3.75Å; E379-I667 HydrophobicContact CB-CB 4.04Å; E379-I667 HydrophobicContact CB-CD1 3.6Å; E379-I667 HydrophobicContact CB-CG1 3.87Å; E379-I667 WeakPolarHBondContact OE2-CA 3.16Å; E379-I667 WeakPolarHBondContact OE2-CB 3.34Å; E379-I667 PolarHBondContact OE2-N 2.79Å; K380-I667 HydrophobicContact CB-CD1 4.43Å; K380-I667 HydrophobicContact CG-CD1 3.62Å; V497-I667 HydrophobicContact CG2-CG2 4.02Å; Q500-I667 PolarHBondContact NE2-O 3.43Å; Q500-I667 VanDerWaalsContact NE2-O 3.15Å; F506-I667 HydrophobicContact CD1-CD1 4.28Å; F506-I667 HydrophobicContact CD1-CG1 4.27Å; F506-I667 HydrophobicContact CE1-CB 4.5Å; F506-I667 HydrophobicContact CE1-CD1 3.62Å; F506-I667 HydrophobicContact CE1-CG1 3.76Å; F506-I667 HydrophobicContact CE1-CG2 4.08Å; F506-I667 HydrophobicContact CZ-CD1 4.01Å; I667-R669 VanDerWaalsContact C-N 3.34Å; I667-R669 PolarHBondContact O-N 3.49Å
668	S	77.8	Confident	81.8	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.007	12%	0.123	C	C	.	.			trans	-92.5	17.4	-165.9	-55.4	0	0	0	0	114.8	E379 C646 N670 Y671 A672	E379-S668 PolarHBondContact OE2-N 3.14Å; C646-S668 WeakPolarHBondContact SG-CB 3.42Å; S668-N670 PolarHBondContact O-N 3.31Å; S668-Y671 PolarHBondContact O-N 2.97Å; S668-Y671 PolarHBondContact OG-OH 3.15Å; S668-A672 VanDerWaalsContact O-CB 3.23Å; S668-A672 WeakPolarHBondContact O-CB 3.4Å; S668-A672 PolarHBondContact O-N 3.14Å
669	R	75.3	Confident	80.1	Confident	1 Å²	1	29.1 Å²	29.1	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-52.6	-50.1	-170.4	-63.8	-175.4	-76.5	138.8	10.7	113.1	Y505 T548 D662 Y665 L666 I667 Y671 T673	Y505-R669 PolarHBondContact OH-NE 2.88Å; Y505-R669 PolarHBondContact OH-NH2 3.19Å; T548-R669 PolarHBondContact O-NH2 3.36Å; D662-R669 WeakPolarHBondContact OD1-CB 3.49Å; D662-R669 WeakPolarHBondContact OD1-CD 3.39Å; D662-R669 IonicContact OD1-CZ 3.69Å; D662-R669 IonicContact OD1-NE 2.81Å; D662-R669 PolarHBondContact OD1-NE 3.16Å; D662-R669 IonicContact OD1-NH1 3.93Å; D662-R669 PolarHBondContact OD1-NH1 3.42Å; D662-R669 IonicContact OD1-NH2 3.22Å; D662-R669 IonicContact OD2-CZ 3.06Å; D662-R669 IonicContact OD2-NH1 2.58Å; D662-R669 PolarHBondContact OD2-NH1 2.95Å; D662-R669 IonicContact OD2-NH2 3.2Å; Y665-R669 WeakPolarHBondContact O-CD 3.39Å; Y665-R669 WeakPolarHBondContact O-CG 3.33Å; L666-R669 PolarHBondContact O-NE 2.91Å; I667-R669 VanDerWaalsContact C-N 3.34Å; I667-R669 PolarHBondContact O-N 3.49Å; R669-Y671 VanDerWaalsContact C-N 3.29Å; R669-Y671 PolarHBondContact O-N 3.37Å; R669-T673 WeakPolarHBondContact CA-OG1 3.36Å; R669-T673 PolarHBondContact O-N 3.5Å; R669-T673 PolarHBondContact O-OG1 3.14Å
670	N	65.1	Low	78.2	Confident	79 Å²	79	29.7 Å²	29.7	42%	0.422	16%	0.161	S	C	.	.	H	α-helix	trans	-69.8	-18	-170.6	-59.2	3.2	0	0	0	115.5	S668	S668-N670 PolarHBondContact O-N 3.31Å
671	Y	68.1	Low	76	Confident	86 Å²	86	32 Å²	32	34%	0.337	18%	0.175	S	C	.	.	H	α-helix	trans	-128.7	-20.3	-174.4	71.7	-93.5	0	0	0	114.2	R493 T496 H644 S668 R669	R493-Y671 HydrophobicContact CG-CE2 4Å; T496-Y671 HydrophobicContact CG2-CE1 4.41Å; H644-Y671 AromaticContact CE1-CE2 3.95Å; H644-Y671 AromaticContact NE2-CE2 3.86Å; S668-Y671 PolarHBondContact O-N 2.97Å; S668-Y671 PolarHBondContact OG-OH 3.15Å; R669-Y671 VanDerWaalsContact C-N 3.29Å; R669-Y671 PolarHBondContact O-N 3.37Å
672	A	69	Low	74.4	Confident	34 Å²	34	28.9 Å²	28.9	28%	0.281	16%	0.16	S	C	.	.	H	α-helix	trans	-96.8	-24.6	179.9	0	0	0	0	0	113.2	C646 Y665 S668	C646-A672 HydrophobicContact CB-CB 3.59Å; C646-A672 WeakPolarHBondContact SG-CB 3.44Å; Y665-A672 HydrophobicContact CD2-CB 4.44Å; S668-A672 VanDerWaalsContact O-CB 3.23Å; S668-A672 WeakPolarHBondContact O-CB 3.4Å; S668-A672 PolarHBondContact O-N 3.14Å
673	T	77.3	Confident	72.5	Confident	3 Å²	3	30.7 Å²	30.7	2%	0.018	17%	0.172	C	C	.	.			trans	-124.9	104.2	-176.3	27.6	0	0	0	0	109.8	A663 Y665 R669 C813	A663-T673 WeakPolarHBondContact O-CB 3.35Å; A663-T673 PolarHBondContact O-OG1 3.33Å; Y665-T673 HydrophobicContact CD2-CG2 3.64Å; Y665-T673 HydrophobicContact CE2-CG2 3.79Å; R669-T673 WeakPolarHBondContact CA-OG1 3.36Å; R669-T673 PolarHBondContact O-N 3.5Å; R669-T673 PolarHBondContact O-OG1 3.14Å; T673-C813 HydrophobicContact CG2-CB 4.41Å
674	R	83.9	Confident	70.4	Confident	31 Å²	31	31.3 Å²	31.3	12%	0.117	18%	0.176	C	C	.	.			trans	-105.7	137.9	173.8	-169.8	-179.5	178.9	-107.3	4.9	109.2	I676 Y688 D691 L692 S803	R674-I676 WeakPolarHBondContact CD-O 3.44Å; R674-I676 WeakPolarHBondContact CG-O 3.08Å; R674-I676 PolarHBondContact NH1-O 3.35Å; R674-I676 PolarHBondContact O-N 3.48Å; R674-Y688 PolarHBondContact NH2-O 3.46Å; R674-D691 IonicContact CZ-OD1 3.87Å; R674-D691 IonicContact CZ-OD2 2.79Å; R674-D691 IonicContact NH1-OD1 3.7Å; R674-D691 IonicContact NH1-OD2 3.1Å; R674-D691 PolarHBondContact NH1-OD2 3.46Å; R674-D691 IonicContact NH2-OD1 2.99Å; R674-D691 PolarHBondContact NH2-OD1 3.39Å; R674-D691 IonicContact NH2-OD2 3.99Å; R674-D691 PolarHBondContact NH2-OD2 2.98Å; R674-D691 VanDerWaalsContact NH2-OD2 3.1Å; R674-L692 HydrophobicContact CG-CD1 3.82Å; R674-L692 VanDerWaalsContact NE-CD1 3.3Å; R674-S803 WeakPolarHBondContact O-CB 3.45Å
675	L	90.1	Very high	68.3	Low	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-57.1	-55	-178.5	178.8	69.5	0	0	0	111.1	W657 L660 L692 I699 L703 L706 M804	W657-L675 HydrophobicContact CD2-CD1 3.91Å; W657-L675 HydrophobicContact CE3-CB 4.31Å; W657-L675 HydrophobicContact CE3-CD1 4.16Å; W657-L675 HydrophobicContact CG-CD1 4.37Å; W657-L675 HydrophobicContact CH2-CB 4Å; W657-L675 HydrophobicContact CZ2-CB 4.42Å; W657-L675 HydrophobicContact CZ2-CD1 4.39Å; W657-L675 HydrophobicContact CZ3-CB 3.92Å; L660-L675 HydrophobicContact CD2-CD2 3.49Å; L660-L675 VanDerWaalsContact CD2-CD2 3.49Å; L660-L675 VanDerWaalsContact O-CB 3.22Å; L660-L675 WeakPolarHBondContact O-CB 3.23Å; L660-L675 PolarHBondContact O-N 3.08Å; L675-L692 HydrophobicContact CB-CD2 4.28Å; L675-I699 HydrophobicContact CD2-CD1 3.89Å; L675-L703 HydrophobicContact CD1-CD2 4.03Å; L675-L703 HydrophobicContact CD2-CD2 4.04Å; L675-L706 HydrophobicContact CD1-CD2 3.62Å; L675-M804 HydrophobicContact CD1-CE 4.02Å; L675-M804 HydrophobicContact CD2-CE 3.93Å; L675-M804 HydrophobicContact CG-CE 3.81Å; L675-M804 WeakPolarHBondContact O-CG 3.41Å; L675-M804 PolarHBondContact O-N 3.39Å
676	I	89	Confident	66.1	Low	2 Å²	2	33.1 Å²	33.1	1%	0.01	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-89.5	129.2	171.4	-54.9	-60.2	0	0	0	109	R674 D691 L692 M804 F806	R674-I676 WeakPolarHBondContact CD-O 3.44Å; R674-I676 WeakPolarHBondContact CG-O 3.08Å; R674-I676 PolarHBondContact NH1-O 3.35Å; R674-I676 PolarHBondContact O-N 3.48Å; I676-D691 HydrophobicContact CG2-CB 4.38Å; I676-D691 WeakPolarHBondContact CG2-OD2 3.47Å; I676-L692 HydrophobicContact CB-CD2 3.97Å; I676-L692 HydrophobicContact CG1-CD2 3.57Å; I676-M804 CarbonylContact C-O 3.58Å; I676-M804 VanDerWaalsContact CA-O 3.24Å; I676-M804 WeakPolarHBondContact CA-O 3.4Å; I676-M804 HydrophobicContact CD1-CE 3.54Å; I676-M804 HydrophobicContact CD1-CG 3.84Å; I676-M804 HydrophobicContact CD1-SD 4.42Å; I676-F806 HydrophobicContact CG2-CB 4.06Å
677	R	80.9	Confident	64.1	Low	77 Å²	77	33.9 Å²	33.9	29%	0.291	19%	0.19	S	C	.	.			trans	-75.5	132	176.6	-70.7	-177.4	175.8	-146.2	-8.4	110.3	S803 M804 Y811 P812	R677-S803 PolarHBondContact NE-OG 3.4Å; R677-S803 PolarHBondContact NH2-OG 3.01Å; R677-S803 VanDerWaalsContact NH2-OG 3.13Å; R677-M804 WeakPolarHBondContact CG-O 3.27Å; R677-M804 PolarHBondContact N-O 2.76Å; R677-Y811 VanDerWaalsContact NH2-C 3.31Å; R677-Y811 PolarHBondContact NH2-O 3.29Å; R677-P812 PolarHBondContact NH2-O 2.95Å
678	C	67.1	Low	62.6	Low	52 Å²	52	36.1 Å²	36.1	35%	0.351	20%	0.199	S	C	.	.			trans	-106.2	131.8	170.1	-170	0	0	0	0	110	S680 Y688	C678-S680 PolarHBondContact SG-O 3.33Å; C678-Y688 HydrophobicContact CB-CD2 4.37Å; C678-Y688 HydrophobicContact CB-CE2 3.75Å; C678-Y688 VanDerWaalsContact SG-CE2 3.52Å
679	T	52.4	Low	61.8	Low	128 Å²	128	40.1 Å²	40.1	79%	0.785	22%	0.217	S	C	*	.	S	Bend	trans	-82	-20	175.2	56.3	0	0	0	0	112.6
680	S	45.9	Very low	61.5	Low	29 Å²	29	40.5 Å²	40.5	20%	0.203	22%	0.219	C	C	.	.			trans	-87.9	115.2	177.2	-174.1	0	0	0	0	109	C678 S682 Y688	C678-S680 PolarHBondContact SG-O 3.33Å; S680-S682 PolarHBondContact O-N 2.96Å; S680-S682 WeakPolarHBondContact OG-CB 3.16Å; S680-S682 PolarHBondContact OG-N 3.06Å; S680-Y688 WeakPolarHBondContact O-CE2 3.34Å
681	V	40.4	Very low	61.7	Low	62 Å²	62	38.1 Å²	38.1	38%	0.376	21%	0.206	S	C	.	.			trans	-67.6	-2.7	172.8	-169.4	0	0	0	0	111.8	S683 L1109	V681-S683 PolarHBondContact O-N 3.26Å; V681-L1109 HydrophobicContact CB-CD2 3.85Å; V681-L1109 HydrophobicContact CG1-CD2 4.35Å; V681-L1109 HydrophobicContact CG2-CD2 3.55Å
682	S	43.3	Very low	62	Low	13 Å²	13	34.7 Å²	34.7	9%	0.091	19%	0.194	C	C	.	.			trans	-79.1	87.2	173	-168.9	0	0	0	0	110.2	S680 T684 N685 Y688	S680-S682 PolarHBondContact O-N 2.96Å; S680-S682 WeakPolarHBondContact OG-CB 3.16Å; S680-S682 PolarHBondContact OG-N 3.06Å; S682-T684 PolarHBondContact O-N 2.99Å; S682-T684 PolarHBondContact OG-OG1 3.36Å; S682-N685 PolarHBondContact O-N 3.12Å; S682-Y688 WeakPolarHBondContact O-CD2 3.46Å
683	S	42.1	Very low	62.3	Low	40 Å²	40	34.9 Å²	34.9	28%	0.28	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-11.7	165.6	52.2	0	0	0	0	113.7	V681	V681-S683 PolarHBondContact O-N 3.26Å
684	T	44.7	Very low	62.5	Low	13 Å²	13	36.2 Å²	36.2	8%	0.08	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-17.8	-178.8	29.1	0	0	0	0	116.5	H136 P556 P557 S682 S686 Q1116	H136-T684 PolarHBondContact NE2-O 2.99Å; H136-T684 VanDerWaalsContact NE2-O 3.17Å; P556-T684 HydrophobicContact CB-CG2 4.08Å; P557-T684 HydrophobicContact CG-CG2 3.75Å; S682-T684 PolarHBondContact O-N 2.99Å; S682-T684 PolarHBondContact OG-OG1 3.36Å; T684-S686 PolarHBondContact O-N 3.48Å; T684-Q1116 PolarHBondContact OG1-NE2 2.9Å
685	N	49	Very low	62.4	Low	42 Å²	42	37.9 Å²	37.9	23%	0.225	21%	0.207	C	C	.	.	S	Bend	trans	-56.1	124.8	177.4	-127.2	-15.8	0	0	0	105.9	S682 T687 Y688	S682-N685 PolarHBondContact O-N 3.12Å; N685-T687 PolarHBondContact O-N 2.77Å; N685-Y688 WeakPolarHBondContact O-CA 3.33Å; N685-Y688 WeakPolarHBondContact O-CB 3.35Å; N685-Y688 PolarHBondContact O-N 2.85Å
686	S	46.7	Very low	62.2	Low	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-48	-37	179.2	52.6	0	0	0	0	110.3	R80 T684 Y688 K1128 L1129	R80-S686 PolarHBondContact NH1-O 2.86Å; R80-S686 PolarHBondContact NH2-O 3Å; T684-S686 PolarHBondContact O-N 3.48Å; S686-Y688 VanDerWaalsContact C-N 3.29Å; S686-Y688 PolarHBondContact O-N 2.66Å; S686-K1128 PolarHBondContact OG-O 3.14Å; S686-L1129 VanDerWaalsContact CB-CD1 3.44Å; S686-L1129 WeakPolarHBondContact OG-CA 3.1Å; S686-L1129 PolarHBondContact OG-O 3.21Å
687	T	51.1	Low	61.9	Low	15 Å²	15	43.2 Å²	43.2	9%	0.092	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-71	-5	175.5	57.8	0	0	0	0	116	N685 H689 D690	N685-T687 PolarHBondContact O-N 2.77Å; T687-H689 PolarHBondContact O-N 3.46Å; T687-D690 VanDerWaalsContact CA-OD2 3.29Å; T687-D690 WeakPolarHBondContact CA-OD2 3.47Å; T687-D690 VanDerWaalsContact CB-OD2 3.31Å; T687-D690 WeakPolarHBondContact CB-OD2 3.27Å; T687-D690 WeakPolarHBondContact CG2-OD2 3.27Å; T687-D690 WeakPolarHBondContact O-CB 3.27Å; T687-D690 PolarHBondContact O-N 2.6Å; T687-D690 VanDerWaalsContact O-N 3.09Å
688	Y	55.5	Low	62.2	Low	51 Å²	51	43.2 Å²	43.2	20%	0.2	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-64	-23.7	-174.3	-176.6	-97.1	0	0	0	113.9	R674 C678 S680 S682 N685 S686	R674-Y688 PolarHBondContact NH2-O 3.46Å; C678-Y688 HydrophobicContact CB-CD2 4.37Å; C678-Y688 HydrophobicContact CB-CE2 3.75Å; C678-Y688 VanDerWaalsContact SG-CE2 3.52Å; S680-Y688 WeakPolarHBondContact O-CE2 3.34Å; S682-Y688 WeakPolarHBondContact O-CD2 3.46Å; N685-Y688 WeakPolarHBondContact O-CA 3.33Å; N685-Y688 WeakPolarHBondContact O-CB 3.35Å; N685-Y688 PolarHBondContact O-N 2.85Å; S686-Y688 VanDerWaalsContact C-N 3.29Å; S686-Y688 PolarHBondContact O-N 2.66Å
689	H	61.4	Low	63.4	Low	85 Å²	85	40.8 Å²	40.8	39%	0.394	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-108.3	5.1	173.8	-61.9	-86.3	0	0	0	113.4	T687 D691 L692 D693	T687-H689 PolarHBondContact O-N 3.46Å; H689-D691 VanDerWaalsContact C-N 3.27Å; H689-D691 PolarHBondContact O-N 3.26Å; H689-L692 CarbonylContact O-C 3.54Å; H689-L692 PolarHBondContact O-N 2.74Å; H689-D693 PolarHBondContact O-N 3.32Å; H689-D693 VanDerWaalsContact O-N 3.17Å
690	D	67.7	Low	65.3	Low	8 Å²	8	34.7 Å²	34.7	4%	0.043	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-60.6	-39.2	-178.6	-87.6	-33.6	0	0	0	112.7	R80 T687 L692 D693 R1073	R80-D690 IonicContact CZ-OD1 3.39Å; R80-D690 VanDerWaalsContact CZ-OD1 3.22Å; R80-D690 IonicContact NE-OD1 3.49Å; R80-D690 PolarHBondContact NE-OD1 3.13Å; R80-D690 IonicContact NH2-OD1 3.11Å; R80-D690 PolarHBondContact NH2-OD1 3.41Å; R80-D690 IonicContact NH2-OD2 2.72Å; R80-D690 PolarHBondContact NH2-OD2 3.46Å; T687-D690 VanDerWaalsContact CA-OD2 3.29Å; T687-D690 WeakPolarHBondContact CA-OD2 3.47Å; T687-D690 VanDerWaalsContact CB-OD2 3.31Å; T687-D690 WeakPolarHBondContact CB-OD2 3.27Å; T687-D690 WeakPolarHBondContact CG2-OD2 3.27Å; T687-D690 WeakPolarHBondContact O-CB 3.27Å; T687-D690 PolarHBondContact O-N 2.6Å; T687-D690 VanDerWaalsContact O-N 3.09Å; D690-L692 PolarHBondContact O-N 2.95Å; D690-D693 WeakPolarHBondContact O-CB 3.11Å; D690-D693 PolarHBondContact O-N 3.4Å; D690-D693 VanDerWaalsContact O-N 3.13Å; D690-R1073 IonicContact OD1-NH2 3.88Å; D690-R1073 IonicContact OD2-CZ 2.81Å; D690-R1073 IonicContact OD2-NH1 2.65Å; D690-R1073 IonicContact OD2-NH2 3.59Å; D690-R1073 PolarHBondContact OD2-NH2 3.29Å
691	D	70.7	Confident	67.5	Low	29 Å²	29	33.8 Å²	33.8	16%	0.155	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-74.4	-2	178.8	58.7	-41.9	0	0	0	113	R674 I676 H689 F694	R674-D691 IonicContact CZ-OD1 3.87Å; R674-D691 IonicContact CZ-OD2 2.79Å; R674-D691 IonicContact NH1-OD1 3.7Å; R674-D691 IonicContact NH1-OD2 3.1Å; R674-D691 PolarHBondContact NH1-OD2 3.46Å; R674-D691 IonicContact NH2-OD1 2.99Å; R674-D691 PolarHBondContact NH2-OD1 3.39Å; R674-D691 IonicContact NH2-OD2 3.99Å; R674-D691 PolarHBondContact NH2-OD2 2.98Å; R674-D691 VanDerWaalsContact NH2-OD2 3.1Å; I676-D691 HydrophobicContact CG2-CB 4.38Å; I676-D691 WeakPolarHBondContact CG2-OD2 3.47Å; H689-D691 VanDerWaalsContact C-N 3.27Å; H689-D691 PolarHBondContact O-N 3.26Å; D691-F694 VanDerWaalsContact O-CE1 3.24Å; D691-F694 WeakPolarHBondContact O-CE1 3.47Å
692	L	73.7	Confident	70.2	Confident	14 Å²	14	30.8 Å²	30.8	7%	0.073	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-115.8	7.3	167.2	-66.1	-179.5	0	0	0	112.2	L660 D661 R674 L675 I676 H689 D690 F694	L660-L692 HydrophobicContact CB-CD2 4.22Å; L660-L692 HydrophobicContact CD1-CB 4.09Å; L660-L692 HydrophobicContact CD1-CD2 4.35Å; L660-L692 WeakPolarHBondContact CD1-O 3.45Å; D661-L692 WeakPolarHBondContact OD1-CD1 3.08Å; R674-L692 HydrophobicContact CG-CD1 3.82Å; R674-L692 VanDerWaalsContact NE-CD1 3.3Å; L675-L692 HydrophobicContact CB-CD2 4.28Å; I676-L692 HydrophobicContact CB-CD2 3.97Å; I676-L692 HydrophobicContact CG1-CD2 3.57Å; H689-L692 CarbonylContact O-C 3.54Å; H689-L692 PolarHBondContact O-N 2.74Å; D690-L692 PolarHBondContact O-N 2.95Å; L692-F694 PolarHBondContact O-N 2.84Å
693	D	75.7	Confident	72.7	Confident	38 Å²	38	30.2 Å²	30.2	20%	0.203	15%	0.151	C	C	.	.			trans	-81.9	59.1	-178.5	-161.3	15.1	0	0	0	111.3	P78 P79 R80 H689 D690	P78-D693 VanDerWaalsContact C-OD2 3.27Å; P78-D693 WeakPolarHBondContact CA-OD2 3.48Å; P78-D693 WeakPolarHBondContact CB-OD2 3.14Å; P79-D693 VanDerWaalsContact CD-OD2 3.29Å; P79-D693 WeakPolarHBondContact CD-OD2 3.43Å; P79-D693 VanDerWaalsContact N-OD2 3.16Å; R80-D693 VanDerWaalsContact CD-OD2 3.27Å; R80-D693 WeakPolarHBondContact CD-OD2 3.22Å; R80-D693 WeakPolarHBondContact CG-OD2 3.34Å; R80-D693 PolarHBondContact N-OD1 2.93Å; R80-D693 PolarHBondContact N-OD2 3.01Å; R80-D693 VanDerWaalsContact N-OD2 3.14Å; R80-D693 IonicContact NE-OD2 3.23Å; H689-D693 PolarHBondContact O-N 3.32Å; H689-D693 VanDerWaalsContact O-N 3.17Å; D690-D693 WeakPolarHBondContact O-CB 3.11Å; D690-D693 PolarHBondContact O-N 3.4Å; D690-D693 VanDerWaalsContact O-N 3.13Å
694	F	80.6	Confident	75.2	Confident	32 Å²	32	28.7 Å²	28.7	14%	0.14	14%	0.14	C	C	.	.	S	Bend	trans	-147	163.5	176.1	64.2	-98.7	0	0	0	111.5	L660 D691 L692 F696 I699 L1082 P1083	L660-F694 HydrophobicContact CD1-CE2 4.38Å; L660-F694 WeakPolarHBondContact CD1-O 3.18Å; L660-F694 HydrophobicContact CD2-CE2 3.71Å; L660-F694 HydrophobicContact CD2-CZ 3.96Å; D691-F694 VanDerWaalsContact O-CE1 3.24Å; D691-F694 WeakPolarHBondContact O-CE1 3.47Å; L692-F694 PolarHBondContact O-N 2.84Å; F694-F696 PolarHBondContact O-N 3.27Å; F694-I699 HydrophobicContact CE2-CD1 3.62Å; F694-I699 HydrophobicContact CE2-CG1 4.1Å; F694-I699 HydrophobicContact CE2-CG2 4.39Å; F694-I699 HydrophobicContact CZ-CD1 4.12Å; F694-L1082 HydrophobicContact CZ-CD1 4.34Å; F694-P1083 HydrophobicContact CB-CB 4.42Å; F694-P1083 HydrophobicContact CB-CG 3.92Å; F694-P1083 HydrophobicContact CD1-CB 4.17Å; F694-P1083 HydrophobicContact CD1-CG 4.11Å; F694-P1083 HydrophobicContact CD2-CG 3.88Å; F694-P1083 HydrophobicContact CE2-CG 4.41Å; F694-P1083 HydrophobicContact CG-CB 4.24Å; F694-P1083 HydrophobicContact CG-CG 3.72Å
695	D	82.1	Confident	77.7	Confident	65 Å²	65	28.2 Å²	28.2	35%	0.348	14%	0.137	S	C	.	.			trans	-80.7	118.8	-179.1	-173	-1.5	0	0	0	111.2	K697 Q698	D695-K697 PolarHBondContact O-N 2.77Å; D695-K697 VanDerWaalsContact O-N 3.12Å; D695-K697 WeakPolarHBondContact OD1-CB 3.25Å; D695-K697 WeakPolarHBondContact OD1-CD 3.23Å; D695-K697 WeakPolarHBondContact OD1-CG 3.44Å; D695-K697 PolarHBondContact OD1-N 3.49Å; D695-Q698 HydrophobicContact CB-CG 4.21Å; D695-Q698 WeakPolarHBondContact O-CB 3.41Å; D695-Q698 PolarHBondContact O-N 2.95Å
696	F	85.6	Confident	80	Confident	56 Å²	56	26.2 Å²	26.2	25%	0.246	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-59.7	-22.6	176.8	67.5	-92.6	0	0	0	113.1	T658 N659 L660 F694 Q698 I699	T658-F696 WeakPolarHBondContact O-CD2 3.48Å; T658-F696 WeakPolarHBondContact O-CE2 3.33Å; N659-F696 HydrophobicContact CB-CD1 4.11Å; N659-F696 HydrophobicContact CB-CD2 4.29Å; N659-F696 HydrophobicContact CB-CE1 4.22Å; N659-F696 HydrophobicContact CB-CE2 4.4Å; N659-F696 HydrophobicContact CB-CG 4.15Å; N659-F696 HydrophobicContact CB-CZ 4.37Å; L660-F696 HydrophobicContact CD2-CB 3.62Å; L660-F696 HydrophobicContact CG-CB 3.87Å; F694-F696 PolarHBondContact O-N 3.27Å; F696-Q698 PolarHBondContact O-N 2.78Å; F696-I699 VanDerWaalsContact O-CG1 3.26Å; F696-I699 WeakPolarHBondContact O-CG1 3.25Å; F696-I699 PolarHBondContact O-N 3.2Å; F696-I699 VanDerWaalsContact O-N 3.08Å
697	K	83.5	Confident	82.4	Confident	58 Å²	58	26.4 Å²	26.4	25%	0.252	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-64.8	-16.5	175.6	-59.2	169.5	-166.4	-178.7	0	112.6	H323 Y324 I339 D695 I699 P700	H323-K697 HydrophobicContact CB-CD 4.04Å; H323-K697 HydrophobicContact CB-CG 4.39Å; Y324-K697 HydrophobicContact CE1-CB 3.77Å; Y324-K697 HydrophobicContact CE1-CG 4.24Å; Y324-K697 WeakPolarHBondContact CE1-O 3.26Å; I339-K697 WeakPolarHBondContact CD1-O 3.37Å; D695-K697 PolarHBondContact O-N 2.77Å; D695-K697 VanDerWaalsContact O-N 3.12Å; D695-K697 WeakPolarHBondContact OD1-CB 3.25Å; D695-K697 WeakPolarHBondContact OD1-CD 3.23Å; D695-K697 WeakPolarHBondContact OD1-CG 3.44Å; D695-K697 PolarHBondContact OD1-N 3.49Å; K697-I699 VanDerWaalsContact C-N 3.3Å; K697-P700 WeakPolarHBondContact O-CD 3.35Å
698	Q	86.9	Confident	84.5	Confident	78 Å²	78	25.8 Å²	25.8	36%	0.364	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-80.9	-11.7	176	-62.9	-179.2	3.6	0	0	113.1	H341 D695 F696 P700	H341-Q698 PolarHBondContact NE2-O 3.13Å; D695-Q698 HydrophobicContact CB-CG 4.21Å; D695-Q698 WeakPolarHBondContact O-CB 3.41Å; D695-Q698 PolarHBondContact O-N 2.95Å; F696-Q698 PolarHBondContact O-N 2.78Å; Q698-P700 VanDerWaalsContact C-CD 3.42Å
699	I	92.4	Very high	86.5	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.			trans	-128	36.1	-171.4	63	154.8	0	0	0	115.2	L660 L675 F694 F696 K697 S701 V702 L703 G1081 L1082	L660-I699 HydrophobicContact CD2-CD1 4.22Å; L675-I699 HydrophobicContact CD2-CD1 3.89Å; F694-I699 HydrophobicContact CE2-CD1 3.62Å; F694-I699 HydrophobicContact CE2-CG1 4.1Å; F694-I699 HydrophobicContact CE2-CG2 4.39Å; F694-I699 HydrophobicContact CZ-CD1 4.12Å; F696-I699 VanDerWaalsContact O-CG1 3.26Å; F696-I699 WeakPolarHBondContact O-CG1 3.25Å; F696-I699 PolarHBondContact O-N 3.2Å; F696-I699 VanDerWaalsContact O-N 3.08Å; K697-I699 VanDerWaalsContact C-N 3.3Å; I699-S701 VanDerWaalsContact C-N 3.29Å; I699-S701 PolarHBondContact O-N 3.22Å; I699-V702 HydrophobicContact CB-CB 4.02Å; I699-V702 HydrophobicContact CB-CG2 3.96Å; I699-V702 HydrophobicContact CD1-CB 4.44Å; I699-V702 HydrophobicContact CG2-CG2 4.39Å; I699-V702 WeakPolarHBondContact O-CB 3.31Å; I699-V702 PolarHBondContact O-N 3.29Å; I699-L703 HydrophobicContact CD1-CD2 3.9Å; I699-L703 HydrophobicContact CD1-CG 4.35Å; I699-L703 HydrophobicContact CG1-CD2 4.45Å; I699-L703 HydrophobicContact CG1-CG 4.39Å; I699-L703 PolarHBondContact O-N 3.03Å; I699-L703 VanDerWaalsContact O-N 3.17Å; I699-G1081 WeakPolarHBondContact CG2-O 3.41Å; I699-L1082 HydrophobicContact CD1-CD1 4.46Å; I699-L1082 HydrophobicContact CG2-CD1 4.47Å
700	P	91.4	Very high	88.2	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.1	-41.3	-174.2	24.2	-34	0	0	0	112.7	K697 Q698 V702 L703 D704	K697-P700 WeakPolarHBondContact O-CD 3.35Å; Q698-P700 VanDerWaalsContact C-CD 3.42Å; P700-V702 VanDerWaalsContact C-N 3.31Å; P700-V702 PolarHBondContact O-N 3.12Å; P700-L703 WeakPolarHBondContact O-CB 3.39Å; P700-L703 PolarHBondContact O-N 3.15Å; P700-D704 VanDerWaalsContact O-CG 3.32Å; P700-D704 PolarHBondContact O-N 3.18Å
701	S	93.9	Very high	89.6	Confident	10 Å²	10	19.7 Å²	19.7	7%	0.07	10%	0.098	C	C	.	.	H	α-helix	trans	-66.2	-31.9	178.8	-49.8	0	0	0	0	113.4	Q344 I699 D704 A705	Q344-S701 PolarHBondContact NE2-OG 3.44Å; Q344-S701 PolarHBondContact OE1-OG 3.11Å; I699-S701 VanDerWaalsContact C-N 3.29Å; I699-S701 PolarHBondContact O-N 3.22Å; S701-D704 PolarHBondContact O-N 3.48Å; S701-A705 WeakPolarHBondContact O-CB 3.17Å; S701-A705 PolarHBondContact O-N 3.31Å
702	V	95.7	Very high	90.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.6	-45.6	174.4	-179.9	0	0	0	0	109.4	I699 P700 D704 A705 L706 M804 L1080 L1082 M1156	I699-V702 HydrophobicContact CB-CB 4.02Å; I699-V702 HydrophobicContact CB-CG2 3.96Å; I699-V702 HydrophobicContact CD1-CB 4.44Å; I699-V702 HydrophobicContact CG2-CG2 4.39Å; I699-V702 WeakPolarHBondContact O-CB 3.31Å; I699-V702 PolarHBondContact O-N 3.29Å; P700-V702 VanDerWaalsContact C-N 3.31Å; P700-V702 PolarHBondContact O-N 3.12Å; V702-D704 VanDerWaalsContact C-N 3.32Å; V702-D704 PolarHBondContact O-N 3.01Å; V702-A705 PolarHBondContact O-N 3.22Å; V702-L706 HydrophobicContact CG1-CD1 4.04Å; V702-L706 WeakPolarHBondContact O-CD1 3.37Å; V702-L706 PolarHBondContact O-N 3.44Å; V702-M804 HydrophobicContact CG1-CE 3.69Å; V702-M804 HydrophobicContact CG1-SD 3.9Å; V702-L1080 HydrophobicContact CG2-CB 4.41Å; V702-L1080 HydrophobicContact CG2-CD2 3.91Å; V702-L1080 HydrophobicContact CG2-CG 4.13Å; V702-L1082 HydrophobicContact CG1-CD1 4.49Å; V702-L1082 HydrophobicContact CG2-CB 4.16Å; V702-M1156 HydrophobicContact CB-SD 4.4Å; V702-M1156 HydrophobicContact CG1-CE 3.94Å; V702-M1156 HydrophobicContact CG1-SD 3.93Å; V702-M1156 HydrophobicContact CG2-SD 4.26Å
703	L	95.6	Very high	92	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60	-44.7	175.6	-54.2	-179.7	0	0	0	110.7	W657 L675 I699 P700 A705 L706 N707	W657-L703 HydrophobicContact CB-CB 4.07Å; W657-L703 HydrophobicContact CB-CD2 4.11Å; L675-L703 HydrophobicContact CD1-CD2 4.03Å; L675-L703 HydrophobicContact CD2-CD2 4.04Å; I699-L703 HydrophobicContact CD1-CD2 3.9Å; I699-L703 HydrophobicContact CD1-CG 4.35Å; I699-L703 HydrophobicContact CG1-CD2 4.45Å; I699-L703 HydrophobicContact CG1-CG 4.39Å; I699-L703 PolarHBondContact O-N 3.03Å; I699-L703 VanDerWaalsContact O-N 3.17Å; P700-L703 WeakPolarHBondContact O-CB 3.39Å; P700-L703 PolarHBondContact O-N 3.15Å; L703-A705 PolarHBondContact O-N 3.37Å; L703-L706 PolarHBondContact O-N 2.73Å; L703-N707 WeakPolarHBondContact O-CB 3.49Å; L703-N707 PolarHBondContact O-N 2.91Å; L703-N707 PolarHBondContact O-ND2 2.84Å
704	D	95.6	Very high	93.1	Very high	9 Å²	9	16 Å²	16	5%	0.048	8%	0.079	C	C	.	.	H	α-helix	trans	-64.2	-37.6	178.7	-70.1	-23.4	0	0	0	112.9	N529 R531 P700 S701 V702 N707 C708 L1160	N529-D704 HydrophobicContact CB-CB 4.41Å; N529-D704 PolarHBondContact ND2-OD2 3.37Å; R531-D704 WeakPolarHBondContact CB-OD1 3.45Å; R531-D704 IonicContact CZ-OD1 3.12Å; R531-D704 IonicContact CZ-OD2 3.83Å; R531-D704 IonicContact NE-OD1 3.61Å; R531-D704 PolarHBondContact NE-OD1 2.93Å; R531-D704 IonicContact NE-OD2 3.9Å; R531-D704 IonicContact NH2-OD1 3.56Å; R531-D704 IonicContact NH2-OD2 3.38Å; R531-D704 PolarHBondContact NH2-OD2 3.02Å; P700-D704 VanDerWaalsContact O-CG 3.32Å; P700-D704 PolarHBondContact O-N 3.18Å; S701-D704 PolarHBondContact O-N 3.48Å; V702-D704 VanDerWaalsContact C-N 3.32Å; V702-D704 PolarHBondContact O-N 3.01Å; D704-N707 WeakPolarHBondContact O-CB 3.37Å; D704-N707 PolarHBondContact O-N 3.21Å; D704-C708 PolarHBondContact O-N 3.06Å; D704-L1160 HydrophobicContact CB-CD2 3.74Å
705	A	96.8	Very high	93.9	Very high	2 Å²	2	17.6 Å²	17.6	2%	0.017	9%	0.086	C	C	.	.	H	α-helix	trans	-66.4	-42.8	175.7	0	0	0	0	0	112	S701 V702 L703 N707 C708 L709 M1156 L1160	S701-A705 WeakPolarHBondContact O-CB 3.17Å; S701-A705 PolarHBondContact O-N 3.31Å; V702-A705 PolarHBondContact O-N 3.22Å; L703-A705 PolarHBondContact O-N 3.37Å; A705-N707 VanDerWaalsContact C-N 3.29Å; A705-N707 PolarHBondContact O-N 3.4Å; A705-C708 WeakPolarHBondContact O-CB 3.38Å; A705-C708 PolarHBondContact O-N 3.38Å; A705-L709 PolarHBondContact O-N 3.34Å; A705-L709 VanDerWaalsContact O-N 3.16Å; A705-M1156 HydrophobicContact CB-CB 3.57Å; A705-M1156 HydrophobicContact CB-CG 3.65Å; A705-L1160 HydrophobicContact CB-CD1 4.4Å; A705-L1160 HydrophobicContact CB-CD2 4.33Å; A705-L1160 HydrophobicContact CB-CG 4.11Å
706	L	96.9	Very high	94.7	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.8	-39.2	173.6	-90.2	74.6	0	0	0	111.5	L675 V702 L703 L709 A710 M804 V810 M1156	L675-L706 HydrophobicContact CD1-CD2 3.62Å; V702-L706 HydrophobicContact CG1-CD1 4.04Å; V702-L706 WeakPolarHBondContact O-CD1 3.37Å; V702-L706 PolarHBondContact O-N 3.44Å; L703-L706 PolarHBondContact O-N 2.73Å; L706-L709 PolarHBondContact O-N 3.46Å; L706-A710 WeakPolarHBondContact O-CB 3.09Å; L706-A710 PolarHBondContact O-N 3Å; L706-M804 HydrophobicContact CD1-SD 3.88Å; L706-M804 HydrophobicContact CD2-CB 4.44Å; L706-M804 HydrophobicContact CD2-CG 4.31Å; L706-M804 HydrophobicContact CD2-SD 4.33Å; L706-V810 HydrophobicContact CD1-CG2 3.75Å; L706-V810 HydrophobicContact CG-CG1 4.34Å; L706-V810 HydrophobicContact CG-CG2 4.04Å; L706-M1156 HydrophobicContact CD1-CE 3.97Å
707	N	97.3	Very high	95.3	Very high	5 Å²	5	13.5 Å²	13.5	3%	0.027	7%	0.066	C	C	.	.	H	α-helix	trans	-62.9	-44.3	175.8	-68.7	-29.6	0	0	0	111.3	F530 P656 W657 L703 D704 A705 L709 A710 S711	F530-N707 HydrophobicContact CB-CB 4.41Å; F530-N707 HydrophobicContact CD2-CB 4.5Å; P656-N707 VanDerWaalsContact CA-OD1 3.28Å; P656-N707 WeakPolarHBondContact CA-OD1 3.43Å; W657-N707 PolarHBondContact N-ND2 3.17Å; W657-N707 PolarHBondContact N-OD1 3.17Å; W657-N707 PolarHBondContact O-ND2 2.95Å; L703-N707 WeakPolarHBondContact O-CB 3.49Å; L703-N707 PolarHBondContact O-N 2.91Å; L703-N707 PolarHBondContact O-ND2 2.84Å; D704-N707 WeakPolarHBondContact O-CB 3.37Å; D704-N707 PolarHBondContact O-N 3.21Å; A705-N707 VanDerWaalsContact C-N 3.29Å; A705-N707 PolarHBondContact O-N 3.4Å; N707-L709 VanDerWaalsContact C-N 3.33Å; N707-L709 PolarHBondContact O-N 3.05Å; N707-A710 PolarHBondContact O-N 3.43Å; N707-S711 WeakPolarHBondContact O-CB 3.06Å; N707-S711 PolarHBondContact O-N 3.2Å; N707-S711 PolarHBondContact O-OG 3.15Å
708	C	96	Very high	96	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.007	7%	0.065	C	C	.	.	H	α-helix	trans	-54	-48.7	175.1	179.4	0	0	0	0	112.1	D704 A705 S711 G1159	D704-C708 PolarHBondContact O-N 3.06Å; A705-C708 WeakPolarHBondContact O-CB 3.38Å; A705-C708 PolarHBondContact O-N 3.38Å; C708-S711 PolarHBondContact O-N 2.92Å; C708-G1159 PolarHBondContact SG-O 3.21Å; C708-G1159 VanDerWaalsContact SG-O 3.41Å
709	L	96.8	Very high	96.6	Very high	6 Å²	6	12.2 Å²	12.2	3%	0.031	7%	0.067	C	C	.	.	H	α-helix	trans	-64.9	-40.3	178.3	-71.5	167.3	0	0	0	112.5	A705 L706 N707 S711 H802 V810 M1155 F1169 S1171	A705-L709 PolarHBondContact O-N 3.34Å; A705-L709 VanDerWaalsContact O-N 3.16Å; L706-L709 PolarHBondContact O-N 3.46Å; N707-L709 VanDerWaalsContact C-N 3.33Å; N707-L709 PolarHBondContact O-N 3.05Å; L709-S711 VanDerWaalsContact C-N 3.33Å; L709-H802 PolarHBondContact O-CE1 3.5Å; L709-V810 HydrophobicContact CD1-CB 4Å; L709-V810 HydrophobicContact CD1-CG1 3.61Å; L709-V810 HydrophobicContact CD1-CG2 4.2Å; L709-M1155 HydrophobicContact CD1-CE 4.1Å; L709-M1155 HydrophobicContact CD1-SD 4.3Å; L709-F1169 HydrophobicContact CD2-CD1 3.71Å; L709-F1169 HydrophobicContact CD2-CE1 3.64Å; L709-F1169 HydrophobicContact CG-CE1 4.44Å; L709-S1171 WeakPolarHBondContact CD2-OG 3.15Å
710	A	96.9	Very high	96.8	Very high	7 Å²	7	12.2 Å²	12.2	6%	0.058	7%	0.067	C	C	.	.	H	α-helix	trans	-73.8	-21.5	179.5	0	0	0	0	0	114	P654 L706 N707 C712 F800 H802	P654-A710 WeakPolarHBondContact CD-O 3.43Å; P654-A710 HydrophobicContact CG-CB 4.33Å; L706-A710 WeakPolarHBondContact O-CB 3.09Å; L706-A710 PolarHBondContact O-N 3Å; N707-A710 PolarHBondContact O-N 3.43Å; A710-C712 VanDerWaalsContact C-N 3.34Å; A710-F800 WeakPolarHBondContact CA-O 3.47Å; A710-H802 WeakPolarHBondContact CA-ND1 3.35Å; A710-H802 HydrophobicContact CB-CB 4.26Å
711	S	96.7	Very high	97.2	Very high	3 Å²	3	12.2 Å²	12.2	2%	0.021	7%	0.067	C	C	.	.	H	α-helix	trans	-76.9	-16.6	-179.6	-70.2	0	0	0	0	114.3	F530 N707 C708 L709 P713 W799	F530-S711 WeakPolarHBondContact CD2-OG 3.22Å; F530-S711 WeakPolarHBondContact CE2-OG 3.23Å; N707-S711 WeakPolarHBondContact O-CB 3.06Å; N707-S711 PolarHBondContact O-N 3.2Å; N707-S711 PolarHBondContact O-OG 3.15Å; C708-S711 PolarHBondContact O-N 2.92Å; L709-S711 VanDerWaalsContact C-N 3.33Å; S711-P713 VanDerWaalsContact O-CD 3.28Å; S711-P713 WeakPolarHBondContact O-CD 3.24Å; S711-W799 PolarHBondContact O-NE1 3.32Å
712	C	97.5	Very high	97.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.			trans	-62.4	118.6	180	-173.7	0	0	0	0	111.1	Y358 A710 W714 F831	Y358-C712 HydrophobicContact CE1-CB 4.33Å; A710-C712 VanDerWaalsContact C-N 3.34Å; C712-W714 HydrophobicContact CB-CZ2 4.38Å; C712-W714 PolarHBondContact O-NE1 2.96Å; C712-W714 VanDerWaalsContact O-NE1 3.12Å; C712-F831 VanDerWaalsContact SG-CE1 3.58Å
713	P	98	Very high	97.5	Very high	2 Å²	2	18 Å²	18	1%	0.013	9%	0.094	C	C	.	.			trans	-85.5	137.7	177.4	34.7	-33.9	0	0	0	111.4	Y358 I361 S711 I797 W799 A832	Y358-P713 HydrophobicContact CD1-CG 4.17Å; I361-P713 HydrophobicContact CD1-CB 4Å; I361-P713 HydrophobicContact CD1-CG 3.92Å; I361-P713 HydrophobicContact CG1-CB 3.93Å; I361-P713 HydrophobicContact CG1-CG 4.03Å; S711-P713 VanDerWaalsContact O-CD 3.28Å; S711-P713 WeakPolarHBondContact O-CD 3.24Å; P713-I797 HydrophobicContact CB-CG2 3.83Å; P713-W799 HydrophobicContact CB-CZ2 3.68Å; P713-A832 HydrophobicContact CB-CB 3.89Å; P713-A832 HydrophobicContact CG-CB 4.27Å; P713-A832 WeakPolarHBondContact O-CB 3.44Å; P713-A832 PolarHBondContact O-N 3.08Å
714	W	98.5	Very high	97.6	Very high	2 Å²	2	18 Å²	18	1%	0.008	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	159.2	-176.2	-55.4	90	0	0	0	112.1	C712 I797 I798 F800 H819 I829 V830 F831 A1170 W1177	C712-W714 HydrophobicContact CB-CZ2 4.38Å; C712-W714 PolarHBondContact O-NE1 2.96Å; C712-W714 VanDerWaalsContact O-NE1 3.12Å; W714-I797 WeakPolarHBondContact O-CA 3.36Å; W714-I798 HydrophobicContact CB-CD1 4.49Å; W714-I798 HydrophobicContact CB-CG1 3.83Å; W714-I798 PolarHBondContact N-O 2.85Å; W714-I798 PolarHBondContact O-N 3.5Å; W714-F800 HydrophobicContact CB-CE2 4.31Å; W714-F800 AromaticContact CD1-CD2 3.5Å; W714-F800 AromaticContact CD1-CE2 3.67Å; W714-F800 HydrophobicContact CD2-CE2 4.49Å; W714-F800 HydrophobicContact CG-CD2 4.18Å; W714-F800 AromaticContact CG-CE2 3.9Å; W714-F800 HydrophobicContact CG-CE2 3.9Å; W714-F800 AromaticContact NE1-CD2 3.65Å; W714-H819 HydrophobicContact CH2-CB 4.21Å; W714-H819 HydrophobicContact CZ2-CB 4.38Å; W714-H819 AromaticContact CZ2-CD2 3.98Å; W714-H819 AromaticContact CZ2-CG 3.88Å; W714-I829 HydrophobicContact CB-CG2 3.83Å; W714-I829 HydrophobicContact CD2-CG2 3.72Å; W714-I829 HydrophobicContact CE3-CG2 3.35Å; W714-I829 HydrophobicContact CG-CG2 3.97Å; W714-I829 HydrophobicContact CZ3-CG2 4.06Å; W714-V830 WeakPolarHBondContact CA-O 3.36Å; W714-F831 AromaticContact CE3-CD1 3.94Å; W714-F831 HydrophobicContact CE3-CD1 3.94Å; W714-F831 HydrophobicContact CE3-CE1 4.32Å; W714-F831 HydrophobicContact CH2-CD1 4.08Å; W714-F831 AromaticContact CH2-CE1 3.61Å; W714-F831 HydrophobicContact CH2-CE1 3.61Å; W714-F831 HydrophobicContact CZ2-CE1 4.29Å; W714-F831 AromaticContact CZ3-CD1 3.66Å; W714-F831 HydrophobicContact CZ3-CD1 3.66Å; W714-F831 AromaticContact CZ3-CE1 3.62Å; W714-F831 HydrophobicContact CZ3-CE1 3.62Å; W714-A1170 HydrophobicContact CH2-CB 3.59Å; W714-A1170 HydrophobicContact CZ2-CB 3.6Å; W714-W1177 AromaticContact CH2-CE3 3.98Å; W714-W1177 HydrophobicContact CH2-CE3 3.98Å; W714-W1177 HydrophobicContact CH2-CZ3 4.16Å; W714-W1177 HydrophobicContact CZ3-CE3 4.41Å; W714-W1177 HydrophobicContact CZ3-CZ3 4.4Å
715	K	98.1	Very high	97.6	Very high	66 Å²	66	18 Å²	18	29%	0.287	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	161.5	169	67.8	179.5	-179.8	-179.6	0	110.3	V830 A832 H921	K715-V830 HydrophobicContact CD-CG2 4.22Å; K715-V830 HydrophobicContact CG-CG2 3.53Å; K715-V830 PolarHBondContact N-O 3.38Å; K715-V830 PolarHBondContact O-N 3.05Å; K715-A832 HydrophobicContact CB-CB 4.35Å; K715-H921 WeakPolarHBondContact CE-ND1 3.32Å; K715-H921 PolarHBondContact NZ-CD2 3.1Å; K715-H921 PolarHBondContact NZ-CE1 2.77Å; K715-H921 VanDerWaalsContact NZ-CG 3.29Å; K715-H921 PolarHBondContact NZ-ND1 2.99Å; K715-H921 PolarHBondContact NZ-NE2 3.1Å
716	I	98.7	Very high	97.5	Very high	9 Å²	9	22.3 Å²	22.3	5%	0.046	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	135.6	177.7	-51.9	-60.2	0	0	0	110	N718 L721 A790 Y793 I798 F817 L828	I716-N718 VanDerWaalsContact C-N 3.34Å; I716-N718 PolarHBondContact O-N 3.33Å; I716-N718 VanDerWaalsContact O-N 3.1Å; I716-L721 HydrophobicContact CG2-CB 4.26Å; I716-L721 HydrophobicContact CG2-CD2 3.8Å; I716-A790 HydrophobicContact CD1-CB 4.3Å; I716-Y793 WeakPolarHBondContact CG1-O 3.22Å; I716-I798 HydrophobicContact CD1-CD1 4.15Å; I716-F817 HydrophobicContact CD1-CE1 3.42Å; I716-F817 VanDerWaalsContact CD1-CE1 3.42Å; I716-F817 HydrophobicContact CD1-CZ 3.3Å; I716-L828 WeakPolarHBondContact CA-O 3.49Å
717	N	98.5	Very high	97.4	Very high	26 Å²	26	22.9 Å²	22.9	14%	0.139	12%	0.117	C	C	.	.			trans	-76.6	87.8	163.9	-171.3	-19.8	0	0	0	109.1	T719 I720 L721 S827 L828 V830	N717-T719 VanDerWaalsContact C-N 3.29Å; N717-T719 PolarHBondContact O-N 3.41Å; N717-I720 HydrophobicContact CB-CB 4.23Å; N717-I720 HydrophobicContact CB-CG1 4.44Å; N717-I720 WeakPolarHBondContact ND2-CG1 3.36Å; N717-I720 PolarHBondContact O-N 2.99Å; N717-I720 PolarHBondContact OD1-N 3.45Å; N717-L721 PolarHBondContact O-N 2.99Å; N717-S827 WeakPolarHBondContact CB-O 3.5Å; N717-S827 PolarHBondContact ND2-O 2.84Å; N717-L828 PolarHBondContact N-O 3.41Å; N717-V830 HydrophobicContact CB-CG1 4.25Å
718	N	98.5	Very high	97.2	Very high	42 Å²	42	22.8 Å²	22.8	23%	0.225	12%	0.117	C	C	.	.	H	α-helix	trans	-57.4	-40.9	-174.2	-72.9	-24.7	0	0	0	112.8	I716 L721 D722 R794 D795	I716-N718 VanDerWaalsContact C-N 3.34Å; I716-N718 PolarHBondContact O-N 3.33Å; I716-N718 VanDerWaalsContact O-N 3.1Å; N718-L721 WeakPolarHBondContact O-CB 3.29Å; N718-L721 PolarHBondContact O-N 3.34Å; N718-D722 PolarHBondContact O-N 2.81Å; N718-R794 PolarHBondContact O-NH1 3.41Å; N718-R794 WeakPolarHBondContact OD1-CG 3.07Å; N718-D795 PolarHBondContact ND2-OD1 3.05Å
719	T	97.9	Very high	96.9	Very high	66 Å²	66	30.5 Å²	30.5	41%	0.405	15%	0.145	S	C	.	.	H	α-helix	trans	-61.2	-47.4	-179.7	-54.7	0	0	0	0	111.2	N717 L721 D722 Y723 M903	N717-T719 VanDerWaalsContact C-N 3.29Å; N717-T719 PolarHBondContact O-N 3.41Å; T719-L721 VanDerWaalsContact C-N 3.34Å; T719-L721 PolarHBondContact O-N 2.93Å; T719-D722 PolarHBondContact O-N 2.86Å; T719-Y723 HydrophobicContact CG2-CD2 4.19Å; T719-Y723 HydrophobicContact CG2-CE2 3.64Å; T719-Y723 WeakPolarHBondContact O-CD2 3.37Å; T719-Y723 PolarHBondContact O-N 2.98Å; T719-M903 HydrophobicContact CG2-CE 4.03Å; T719-M903 HydrophobicContact CG2-SD 3.61Å
720	I	98.4	Very high	96.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.1	-38.8	176.3	-66.1	-64.5	0	0	0	111.5	N717 D722 Y723 L724 L828 W896 L899 A900 M903	N717-I720 HydrophobicContact CB-CB 4.23Å; N717-I720 HydrophobicContact CB-CG1 4.44Å; N717-I720 WeakPolarHBondContact ND2-CG1 3.36Å; N717-I720 PolarHBondContact O-N 2.99Å; N717-I720 PolarHBondContact OD1-N 3.45Å; I720-D722 VanDerWaalsContact C-N 3.31Å; I720-D722 PolarHBondContact O-N 2.83Å; I720-Y723 PolarHBondContact O-N 3Å; I720-L724 HydrophobicContact CG2-CD1 3.71Å; I720-L724 HydrophobicContact CG2-CG 4.32Å; I720-L724 WeakPolarHBondContact O-CB 3.42Å; I720-L724 WeakPolarHBondContact O-CG 3.47Å; I720-L724 PolarHBondContact O-N 2.81Å; I720-L828 HydrophobicContact CG2-CD2 4.42Å; I720-W896 HydrophobicContact CG2-CE3 4.32Å; I720-L899 HydrophobicContact CD1-CB 4.25Å; I720-L899 HydrophobicContact CD1-CD2 3.97Å; I720-L899 HydrophobicContact CD1-CG 3.9Å; I720-A900 HydrophobicContact CD1-CB 3.92Å; I720-A900 HydrophobicContact CG1-CB 3.83Å; I720-M903 HydrophobicContact CD1-CE 4.38Å; I720-M903 HydrophobicContact CD1-SD 4.08Å
721	L	98.4	Very high	96.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.6	-40.3	175.9	179.9	60.3	0	0	0	112.3	I716 N717 N718 T719 L724 I725 L787 A790 N791 R794 L828	I716-L721 HydrophobicContact CG2-CB 4.26Å; I716-L721 HydrophobicContact CG2-CD2 3.8Å; N717-L721 PolarHBondContact O-N 2.99Å; N718-L721 WeakPolarHBondContact O-CB 3.29Å; N718-L721 PolarHBondContact O-N 3.34Å; T719-L721 VanDerWaalsContact C-N 3.34Å; T719-L721 PolarHBondContact O-N 2.93Å; L721-L724 PolarHBondContact O-N 3.05Å; L721-I725 HydrophobicContact CD1-CD1 3.85Å; L721-I725 HydrophobicContact CD1-CG1 4.08Å; L721-I725 HydrophobicContact CG-CD1 3.89Å; L721-I725 HydrophobicContact CG-CG1 4.48Å; L721-I725 WeakPolarHBondContact O-CB 3.4Å; L721-I725 VanDerWaalsContact O-CG1 3.31Å; L721-I725 WeakPolarHBondContact O-CG1 3.45Å; L721-I725 PolarHBondContact O-N 3.5Å; L721-L787 HydrophobicContact CD1-CD2 3.91Å; L721-A790 HydrophobicContact CD1-CB 3.86Å; L721-A790 HydrophobicContact CD2-CB 4.05Å; L721-N791 HydrophobicContact CD2-CB 4.25Å; L721-R794 HydrophobicContact CD2-CG 4.03Å; L721-L828 HydrophobicContact CB-CD2 3.59Å; L721-L828 HydrophobicContact CD1-CD2 3.74Å; L721-L828 HydrophobicContact CG-CD2 4.21Å
722	D	98.3	Very high	95.8	Very high	80 Å²	80	36 Å²	36	43%	0.428	19%	0.19	S	C	.	.	H	α-helix	trans	-62.6	-45.2	178.2	-67.4	-22.5	0	0	0	111.3	N718 T719 I720 I725 Q726 R794	N718-D722 PolarHBondContact O-N 2.81Å; T719-D722 PolarHBondContact O-N 2.86Å; I720-D722 VanDerWaalsContact C-N 3.31Å; I720-D722 PolarHBondContact O-N 2.83Å; D722-I725 PolarHBondContact O-N 2.89Å; D722-Q726 WeakPolarHBondContact O-CB 3.44Å; D722-Q726 PolarHBondContact O-N 3.34Å; D722-R794 IonicContact OD1-CZ 2.77Å; D722-R794 IonicContact OD1-NH1 2.74Å; D722-R794 PolarHBondContact OD1-NH1 2.8Å; D722-R794 IonicContact OD1-NH2 3.62Å; D722-R794 PolarHBondContact OD1-NH2 3.37Å; D722-R794 IonicContact OD2-NH1 3.14Å
723	Y	97.9	Very high	95.6	Very high	53 Å²	53	37.9 Å²	37.9	21%	0.208	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-39.6	176.2	-67.4	-46.5	0	0	0	113.3	T719 I720 Q726 V727 P882 F883 L899 M903	T719-Y723 HydrophobicContact CG2-CD2 4.19Å; T719-Y723 HydrophobicContact CG2-CE2 3.64Å; T719-Y723 WeakPolarHBondContact O-CD2 3.37Å; T719-Y723 PolarHBondContact O-N 2.98Å; I720-Y723 PolarHBondContact O-N 3Å; Y723-Q726 WeakPolarHBondContact O-CB 3.44Å; Y723-Q726 PolarHBondContact O-N 3.42Å; Y723-V727 WeakPolarHBondContact O-CG2 3.35Å; Y723-V727 PolarHBondContact O-N 2.91Å; Y723-P882 HydrophobicContact CD2-CG 4.5Å; Y723-P882 HydrophobicContact CE1-CG 3.83Å; Y723-P882 HydrophobicContact CE2-CG 3.84Å; Y723-P882 VanDerWaalsContact CZ-CG 3.44Å; Y723-P882 WeakPolarHBondContact OH-CG 3.49Å; Y723-F883 AromaticContact CD1-CD2 3.88Å; Y723-F883 HydrophobicContact CD1-CD2 3.88Å; Y723-F883 AromaticContact CD1-CE2 3.36Å; Y723-F883 HydrophobicContact CD1-CE2 3.36Å; Y723-F883 HydrophobicContact CD1-CZ 4.47Å; Y723-F883 HydrophobicContact CE1-CD2 4.14Å; Y723-F883 HydrophobicContact CE1-CE2 4.05Å; Y723-F883 AromaticContact CG-CE2 3.7Å; Y723-F883 HydrophobicContact CG-CE2 3.7Å; Y723-L899 HydrophobicContact CD2-CD2 4.36Å; Y723-M903 HydrophobicContact CD2-CE 3.98Å; Y723-M903 HydrophobicContact CE2-CE 3.41Å; Y723-M903 VanDerWaalsContact CE2-CE 3.41Å
724	L	97.1	Very high	95.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-44.8	174.4	-78.9	163.3	0	0	0	111.9	I720 L721 Q726 V727 A728 I738 L787 V824 L828 W896	I720-L724 HydrophobicContact CG2-CD1 3.71Å; I720-L724 HydrophobicContact CG2-CG 4.32Å; I720-L724 WeakPolarHBondContact O-CB 3.42Å; I720-L724 WeakPolarHBondContact O-CG 3.47Å; I720-L724 PolarHBondContact O-N 2.81Å; L721-L724 PolarHBondContact O-N 3.05Å; L724-Q726 VanDerWaalsContact C-N 3.33Å; L724-V727 PolarHBondContact O-N 3.42Å; L724-A728 WeakPolarHBondContact O-CB 3.2Å; L724-A728 PolarHBondContact O-N 3.2Å; L724-I738 HydrophobicContact CD2-CD1 3.6Å; L724-I738 HydrophobicContact CD2-CG1 4.21Å; L724-L787 HydrophobicContact CB-CD2 3.77Å; L724-L787 HydrophobicContact CD1-CD2 4.18Å; L724-L787 HydrophobicContact CG-CD2 4.48Å; L724-V824 HydrophobicContact CD1-CG1 3.94Å; L724-V824 HydrophobicContact CD2-CG1 3.83Å; L724-V824 HydrophobicContact CD2-CG2 4.08Å; L724-L828 HydrophobicContact CD1-CD1 3.95Å; L724-L828 HydrophobicContact CD1-CD2 3.53Å; L724-L828 HydrophobicContact CD1-CG 3.6Å; L724-W896 HydrophobicContact CD2-CD2 3.67Å; L724-W896 HydrophobicContact CD2-CE3 4.02Å; L724-W896 HydrophobicContact CD2-CG 4.28Å; L724-W896 HydrophobicContact CD2-CH2 3.8Å; L724-W896 HydrophobicContact CD2-CZ2 3.44Å; L724-W896 VanDerWaalsContact CD2-CZ2 3.44Å; L724-W896 HydrophobicContact CD2-CZ3 4.08Å; L724-W896 HydrophobicContact CG-CD2 4.15Å; L724-W896 HydrophobicContact CG-CE3 4Å; L724-W896 HydrophobicContact CG-CH2 4Å; L724-W896 HydrophobicContact CG-CZ2 4.16Å; L724-W896 HydrophobicContact CG-CZ3 3.92Å
725	I	96.2	Very high	94.6	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.046	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-39.8	176.3	-71.1	171.7	0	0	0	110.6	V389 L721 D722 A728 R729 N791	V389-I725 HydrophobicContact CB-CD1 4.38Å; V389-I725 HydrophobicContact CB-CG1 4.44Å; V389-I725 HydrophobicContact CG1-CD1 3.85Å; V389-I725 HydrophobicContact CG1-CG1 4.4Å; L721-I725 HydrophobicContact CD1-CD1 3.85Å; L721-I725 HydrophobicContact CD1-CG1 4.08Å; L721-I725 HydrophobicContact CG-CD1 3.89Å; L721-I725 HydrophobicContact CG-CG1 4.48Å; L721-I725 WeakPolarHBondContact O-CB 3.4Å; L721-I725 VanDerWaalsContact O-CG1 3.31Å; L721-I725 WeakPolarHBondContact O-CG1 3.45Å; L721-I725 PolarHBondContact O-N 3.5Å; D722-I725 PolarHBondContact O-N 2.89Å; I725-A728 PolarHBondContact O-N 2.94Å; I725-R729 HydrophobicContact CG2-CG 4.28Å; I725-R729 WeakPolarHBondContact O-CB 3.43Å; I725-R729 VanDerWaalsContact O-CG 3.29Å; I725-R729 WeakPolarHBondContact O-CG 3.23Å; I725-R729 PolarHBondContact O-N 3.29Å; I725-N791 HydrophobicContact CD1-CB 4.33Å
726	Q	95.3	Very high	94.4	Very high	92 Å²	92	45.5 Å²	45.5	43%	0.43	24%	0.241	S	C	.	.	H	α-helix	trans	-57.8	-53.5	175.2	179.8	-177.2	-9.8	0	0	110.8	D722 Y723 L724 A728 R729 S730	D722-Q726 WeakPolarHBondContact O-CB 3.44Å; D722-Q726 PolarHBondContact O-N 3.34Å; Y723-Q726 WeakPolarHBondContact O-CB 3.44Å; Y723-Q726 PolarHBondContact O-N 3.42Å; L724-Q726 VanDerWaalsContact C-N 3.33Å; Q726-A728 VanDerWaalsContact C-N 3.32Å; Q726-A728 PolarHBondContact O-N 3.42Å; Q726-R729 PolarHBondContact O-N 3.01Å; Q726-S730 PolarHBondContact O-N 3.39Å; Q726-S730 PolarHBondContact O-OG 2.93Å; Q726-S730 VanDerWaalsContact O-OG 3.13Å
727	V	95	Very high	94	Very high	12 Å²	12	48.3 Å²	48.3	7%	0.073	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-44.4	178.4	172.2	0	0	0	0	111.4	Y723 L724 R729 S730 G731 G732 N733 L736 I738 F883 W896	Y723-V727 WeakPolarHBondContact O-CG2 3.35Å; Y723-V727 PolarHBondContact O-N 2.91Å; L724-V727 PolarHBondContact O-N 3.42Å; V727-R729 VanDerWaalsContact C-N 3.35Å; V727-R729 PolarHBondContact O-N 2.97Å; V727-S730 PolarHBondContact O-N 3.47Å; V727-G731 PolarHBondContact O-N 3.24Å; V727-G732 PolarHBondContact O-N 3.4Å; V727-N733 HydrophobicContact CG1-CB 3.8Å; V727-L736 HydrophobicContact CG2-CD1 4.38Å; V727-I738 HydrophobicContact CG1-CB 4.06Å; V727-I738 HydrophobicContact CG1-CG1 4.1Å; V727-I738 HydrophobicContact CG1-CG2 4.24Å; V727-F883 HydrophobicContact CG2-CE1 3.61Å; V727-F883 HydrophobicContact CG2-CZ 3.6Å; V727-W896 HydrophobicContact CG2-CH2 3.94Å; V727-W896 HydrophobicContact CG2-CZ2 4.32Å
728	A	92	Very high	93.7	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-65.6	-37	-179.7	0	0	0	0	0	112.7	L390 L724 I725 Q726 S730 G731 I738 L787	L390-A728 HydrophobicContact CD1-CB 3.72Å; L390-A728 HydrophobicContact CD2-CB 4.08Å; L390-A728 HydrophobicContact CG-CB 4.41Å; L724-A728 WeakPolarHBondContact O-CB 3.2Å; L724-A728 PolarHBondContact O-N 3.2Å; I725-A728 PolarHBondContact O-N 2.94Å; Q726-A728 VanDerWaalsContact C-N 3.32Å; Q726-A728 PolarHBondContact O-N 3.42Å; A728-S730 VanDerWaalsContact C-N 3.35Å; A728-G731 PolarHBondContact O-N 3.42Å; A728-I738 HydrophobicContact CB-CG2 3.88Å; A728-L787 HydrophobicContact CB-CD1 4.14Å
729	R	90.2	Very high	93.2	Very high	162 Å²	162	45.8 Å²	45.8	61%	0.611	25%	0.248	S	C	*	.	H	α-helix	trans	-71.3	-29.3	175.2	-75.1	176.5	176	169.3	-0.8	112.8	L390 I725 Q726 V727 G731	L390-R729 HydrophobicContact CD2-CG 3.69Å; I725-R729 HydrophobicContact CG2-CG 4.28Å; I725-R729 WeakPolarHBondContact O-CB 3.43Å; I725-R729 VanDerWaalsContact O-CG 3.29Å; I725-R729 WeakPolarHBondContact O-CG 3.23Å; I725-R729 PolarHBondContact O-N 3.29Å; Q726-R729 PolarHBondContact O-N 3.01Å; V727-R729 VanDerWaalsContact C-N 3.35Å; V727-R729 PolarHBondContact O-N 2.97Å; R729-G731 PolarHBondContact O-N 2.81Å
730	S	90.5	Very high	92.7	Very high	97 Å²	97	46.5 Å²	46.5	68%	0.678	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	3.1	174.6	-64.5	0	0	0	0	114.3	Q726 V727 A728	Q726-S730 PolarHBondContact O-N 3.39Å; Q726-S730 PolarHBondContact O-OG 2.93Å; Q726-S730 VanDerWaalsContact O-OG 3.13Å; V727-S730 PolarHBondContact O-N 3.47Å; A728-S730 VanDerWaalsContact C-N 3.35Å
731	G	86.5	Confident	91.8	Very high	19 Å²	19	49.8 Å²	49.8	20%	0.196	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	110.6	-1.4	176.2	0	0	0	0	0	114.9	V727 A728 R729 E740 W741	V727-G731 PolarHBondContact O-N 3.24Å; A728-G731 PolarHBondContact O-N 3.42Å; R729-G731 PolarHBondContact O-N 2.81Å; G731-E740 VanDerWaalsContact O-CA 3.3Å; G731-E740 WeakPolarHBondContact O-CA 3.19Å; G731-W741 PolarHBondContact O-N 3.36Å
732	G	90.5	Very high	91	Very high	16 Å²	16	54.4 Å²	54.4	17%	0.165	28%	0.277	C	S	.	.			trans	91.5	174	-175.9	0	0	0	0	0	113.4	V727	V727-G732 PolarHBondContact O-N 3.4Å
733	N	92.5	Very high	90.1	Very high	40 Å²	40	54.1 Å²	54.1	21%	0.214	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-159	108	174.2	-178.2	-31.4	0	0	0	108.6	V727 N735 L736 S737 I738 E740	V727-N733 HydrophobicContact CG1-CB 3.8Å; N733-N735 VanDerWaalsContact C-N 3.27Å; N733-N735 PolarHBondContact O-N 2.87Å; N733-N735 WeakPolarHBondContact OD1-CB 3.27Å; N733-N735 PolarHBondContact OD1-N 3.09Å; N733-L736 HydrophobicContact CB-CB 4.18Å; N733-L736 HydrophobicContact CB-CD1 4.32Å; N733-L736 HydrophobicContact CB-CG 4.33Å; N733-L736 CarbonylContact O-C 3.49Å; N733-L736 WeakPolarHBondContact O-CA 3.47Å; N733-L736 PolarHBondContact O-N 3.11Å; N733-L736 PolarHBondContact OD1-N 2.97Å; N733-S737 PolarHBondContact O-N 2.93Å; N733-I738 CarbonylContact C-O 3.45Å; N733-I738 PolarHBondContact N-O 2.85Å; N733-I738 PolarHBondContact O-N 3.13Å; N733-E740 WeakPolarHBondContact CA-OE1 3.45Å
734	E	88	Confident	89.3	Confident	89 Å²	89	57.8 Å²	57.8	42%	0.416	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-64.3	-31.8	-175.3	-71.9	-174.1	-178.2	0	0	112.4	L736 S737 I738 E740 R742	E734-L736 PolarHBondContact O-N 3.3Å; E734-S737 PolarHBondContact O-N 3.09Å; E734-I738 PolarHBondContact N-O 2.89Å; E734-E740 HydrophobicContact CG-CB 4.1Å; E734-E740 HydrophobicContact CG-CG 3.98Å; E734-E740 PolarHBondContact N-OE1 3.12Å; E734-R742 IonicContact OE1-CZ 3.73Å; E734-R742 IonicContact OE1-NE 3.8Å; E734-R742 PolarHBondContact OE1-NE 3.3Å; E734-R742 IonicContact OE1-NH2 3.65Å; E734-R742 PolarHBondContact OE1-NH2 3.09Å; E734-R742 IonicContact OE2-NH2 2.62Å; E734-R742 PolarHBondContact OE2-NH2 3.33Å
735	N	89.1	Confident	88.4	Confident	138 Å²	138	59 Å²	59	74%	0.738	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-64.6	-28.8	175	-64	-27.2	0	0	0	111.9	N733 S737	N733-N735 VanDerWaalsContact C-N 3.27Å; N733-N735 PolarHBondContact O-N 2.87Å; N733-N735 WeakPolarHBondContact OD1-CB 3.27Å; N733-N735 PolarHBondContact OD1-N 3.09Å; N735-S737 VanDerWaalsContact C-N 3.34Å
736	L	93.4	Very high	87.6	Confident	2 Å²	2	67.8 Å²	67.8	1%	0.01	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-95.2	16.2	174.7	-60.4	-178.8	0	0	0	112.7	V727 N733 E734 I738 W889 Q890 P895 W896	V727-L736 HydrophobicContact CG2-CD1 4.38Å; N733-L736 HydrophobicContact CB-CB 4.18Å; N733-L736 HydrophobicContact CB-CD1 4.32Å; N733-L736 HydrophobicContact CB-CG 4.33Å; N733-L736 CarbonylContact O-C 3.49Å; N733-L736 WeakPolarHBondContact O-CA 3.47Å; N733-L736 PolarHBondContact O-N 3.11Å; N733-L736 PolarHBondContact OD1-N 2.97Å; E734-L736 PolarHBondContact O-N 3.3Å; L736-I738 PolarHBondContact O-N 2.75Å; L736-I738 VanDerWaalsContact O-N 3.13Å; L736-W889 HydrophobicContact CD1-CH2 3.96Å; L736-W889 HydrophobicContact CD2-CH2 4.02Å; L736-W889 HydrophobicContact CD2-CZ3 3.77Å; L736-Q890 HydrophobicContact CD2-CB 4.02Å; L736-Q890 HydrophobicContact CD2-CG 4.04Å; L736-P895 HydrophobicContact CD2-CB 4.04Å; L736-P895 HydrophobicContact CD2-CG 4.21Å; L736-W896 HydrophobicContact CB-CZ2 3.96Å; L736-W896 HydrophobicContact CD1-CZ2 4.02Å; L736-W896 PolarHBondContact O-NE1 3.31Å
737	S	89.9	Confident	86.7	Confident	69 Å²	69	73.8 Å²	73.8	48%	0.483	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	23.3	-179.3	-57.8	0	0	0	0	114.7	N733 E734 N735	N733-S737 PolarHBondContact O-N 2.93Å; E734-S737 PolarHBondContact O-N 3.09Å; N735-S737 VanDerWaalsContact C-N 3.34Å
738	I	91.6	Very high	85.9	Confident	3 Å²	3	75 Å²	75	2%	0.015	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-105.9	115.4	172.2	-56.3	-57.6	0	0	0	108	L724 V727 A728 N733 E734 L736 E740 V824 W896	L724-I738 HydrophobicContact CD2-CD1 3.6Å; L724-I738 HydrophobicContact CD2-CG1 4.21Å; V727-I738 HydrophobicContact CG1-CB 4.06Å; V727-I738 HydrophobicContact CG1-CG1 4.1Å; V727-I738 HydrophobicContact CG1-CG2 4.24Å; A728-I738 HydrophobicContact CB-CG2 3.88Å; N733-I738 CarbonylContact C-O 3.45Å; N733-I738 PolarHBondContact N-O 2.85Å; N733-I738 PolarHBondContact O-N 3.13Å; E734-I738 PolarHBondContact N-O 2.89Å; L736-I738 PolarHBondContact O-N 2.75Å; L736-I738 VanDerWaalsContact O-N 3.13Å; I738-E740 PolarHBondContact O-N 3.15Å; I738-V824 HydrophobicContact CD1-CG2 4.06Å; I738-W896 HydrophobicContact CG1-CZ2 4.28Å
739	P	87.8	Confident	85.1	Confident	11 Å²	11	80.9 Å²	80.9	7%	0.071	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-57.6	127.8	-172.3	-26.7	34.7	0	0	0	113.1	F776 L779 W780 E783	P739-F776 HydrophobicContact CB-CD2 4.14Å; P739-F776 HydrophobicContact CB-CE2 4.09Å; P739-L779 HydrophobicContact CB-CB 4.41Å; P739-L779 HydrophobicContact CG-CB 3.64Å; P739-W780 HydrophobicContact CB-CE3 4.41Å; P739-E783 HydrophobicContact CG-CG 4.08Å
740	E	87.6	Confident	84.4	Confident	81 Å²	81	76 Å²	76	38%	0.379	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-77.5	139.2	172.6	-74.8	173.1	-138.1	0	0	111.1	G731 N733 E734 I738 R742 F776	G731-E740 VanDerWaalsContact O-CA 3.3Å; G731-E740 WeakPolarHBondContact O-CA 3.19Å; N733-E740 WeakPolarHBondContact CA-OE1 3.45Å; E734-E740 HydrophobicContact CG-CB 4.1Å; E734-E740 HydrophobicContact CG-CG 3.98Å; E734-E740 PolarHBondContact N-OE1 3.12Å; I738-E740 PolarHBondContact O-N 3.15Å; E740-R742 PolarHBondContact O-N 3.04Å; E740-F776 WeakPolarHBondContact O-CD2 3.15Å; E740-F776 WeakPolarHBondContact O-CE2 3.38Å
741	W	80.7	Confident	83.9	Confident	69 Å²	69	79.2 Å²	79.2	26%	0.261	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-61.5	130.3	-177	-179	-101.4	0	0	0	112.4	Q395 G731 F776	Q395-W741 HydrophobicContact CB-CD2 4.12Å; Q395-W741 HydrophobicContact CB-CG 4.45Å; Q395-W741 HydrophobicContact CB-CZ2 4.29Å; Q395-W741 HydrophobicContact CG-CD2 4.4Å; Q395-W741 WeakPolarHBondContact O-CZ2 3.14Å; G731-W741 PolarHBondContact O-N 3.36Å; W741-F776 HydrophobicContact CD2-CZ 4.37Å; W741-F776 HydrophobicContact CE3-CE1 4.44Å; W741-F776 AromaticContact CE3-CZ 3.8Å; W741-F776 HydrophobicContact CE3-CZ 3.8Å; W741-F776 HydrophobicContact CZ3-CE1 4.47Å; W741-F776 HydrophobicContact CZ3-CZ 4.17Å
742	R	81.7	Confident	83.5	Confident	97 Å²	97	85.6 Å²	85.6	37%	0.366	41%	0.414	S	S	.	.			trans	-124.1	135.7	176.1	-58.1	-177.2	-176.5	-163.4	-1.8	110.6	E734 E740 Y773 F776	E734-R742 IonicContact OE1-CZ 3.73Å; E734-R742 IonicContact OE1-NE 3.8Å; E734-R742 PolarHBondContact OE1-NE 3.3Å; E734-R742 IonicContact OE1-NH2 3.65Å; E734-R742 PolarHBondContact OE1-NH2 3.09Å; E734-R742 IonicContact OE2-NH2 2.62Å; E734-R742 PolarHBondContact OE2-NH2 3.33Å; E740-R742 PolarHBondContact O-N 3.04Å; R742-Y773 WeakPolarHBondContact O-CE2 3.44Å; R742-F776 HydrophobicContact CB-CD1 4Å; R742-F776 HydrophobicContact CB-CD2 4.44Å; R742-F776 HydrophobicContact CB-CE1 4.16Å; R742-F776 HydrophobicContact CB-CG 4.15Å; R742-F776 HydrophobicContact CB-CZ 4.48Å; R742-F776 HydrophobicContact CG-CD2 4.17Å; R742-F776 HydrophobicContact CG-CG 4.2Å
743	S	79.2	Confident	83.3	Confident	75 Å²	75	91 Å²	91	52%	0.524	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-73	151.3	173.6	-69.3	0	0	0	0	112	Y773	S743-Y773 WeakPolarHBondContact O-CD2 3.34Å
744	K	79.6	Confident	82.8	Confident	130 Å²	130	91 Å²	91	57%	0.565	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-63.7	133.1	175.7	-174.8	176.9	-178.3	174.6	0	110	K746 Y773	K744-K746 PolarHBondContact O-N 3.45Å; K744-Y773 HydrophobicContact CB-CE1 4.17Å; K744-Y773 HydrophobicContact CB-CE2 4.14Å; K744-Y773 HydrophobicContact CG-CD1 4.48Å; K744-Y773 HydrophobicContact CG-CE1 4.01Å
745	P	79.6	Confident	82.7	Confident	26 Å²	26	90.3 Å²	90.3	17%	0.169	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-63.7	129.6	179.1	23	-31.8	0	0	0	111	Y766 D769 R770	P745-Y766 HydrophobicContact CB-CD2 4.48Å; P745-Y766 HydrophobicContact CB-CE2 4.36Å; P745-D769 HydrophobicContact CB-CB 3.97Å; P745-D769 HydrophobicContact CG-CB 4.48Å; P745-R770 HydrophobicContact CG-CB 4.23Å
746	K	78.6	Confident	82.4	Confident	192 Å²	192	87.9 Å²	87.9	84%	0.835	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-64.1	145.6	174	-65	-176.5	-178.8	179.8	0	109.6	K744 Y766	K744-K746 PolarHBondContact O-N 3.45Å; K746-Y766 VanDerWaalsContact O-CD2 3.22Å; K746-Y766 WeakPolarHBondContact O-CD2 3.49Å; K746-Y766 VanDerWaalsContact O-CE2 3.23Å; K746-Y766 WeakPolarHBondContact O-CE2 3.22Å
747	R	76.8	Confident	81.9	Confident	219 Å²	219	96.1 Å²	96.1	83%	0.826	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-59.3	147.3	173.6	-73.6	-174.7	176.1	-174.1	-1	109.5	D749	R747-D749 PolarHBondContact O-N 2.98Å
748	V	77.7	Confident	81.7	Confident	37 Å²	37	97.4 Å²	97.4	22%	0.224	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-57.2	121.6	178.5	-175.2	0	0	0	0	109.4	L750 A762 Y763 Y766	V748-L750 HydrophobicContact CB-CG 4.41Å; V748-L750 HydrophobicContact CG1-CD2 3.57Å; V748-L750 HydrophobicContact CG1-CG 3.85Å; V748-L750 PolarHBondContact O-N 3.12Å; V748-A762 HydrophobicContact CG1-CB 3.73Å; V748-Y763 HydrophobicContact CG2-CD1 4.24Å; V748-Y766 HydrophobicContact CG2-CD1 4.2Å; V748-Y766 HydrophobicContact CG2-CD2 4.2Å; V748-Y766 HydrophobicContact CG2-CG 3.65Å
749	D	75.6	Confident	81.2	Confident	126 Å²	126	101.9 Å²	101.9	67%	0.674	49%	0.49	S	S	*	.			trans	-82.2	96.6	170.2	-170.4	16.9	0	0	0	108.5	R747 R751	R747-D749 PolarHBondContact O-N 2.98Å; D749-R751 PolarHBondContact O-N 2.91Å
750	L	75.8	Confident	81	Confident	61 Å²	61	108.7 Å²	108.7	32%	0.319	51%	0.514	S	S	.	.			trans	-85.3	108.6	-178	-67.2	168.9	0	0	0	109.3	V748 M754 R759 Y763	V748-L750 HydrophobicContact CB-CG 4.41Å; V748-L750 HydrophobicContact CG1-CD2 3.57Å; V748-L750 HydrophobicContact CG1-CG 3.85Å; V748-L750 PolarHBondContact O-N 3.12Å; L750-M754 HydrophobicContact CD2-SD 4.32Å; L750-R759 HydrophobicContact CD2-CB 4.33Å; L750-R759 HydrophobicContact CD2-CG 4.09Å; L750-Y763 HydrophobicContact CD1-CE2 4.07Å; L750-Y763 VanDerWaalsContact CD1-OH 3.24Å; L750-Y763 WeakPolarHBondContact CD1-OH 3.39Å; L750-Y763 HydrophobicContact CD2-CE2 4.22Å
751	R	79.3	Confident	80.9	Confident	163 Å²	163	110 Å²	110	62%	0.615	52%	0.523	S	S	*	.			trans	-80.3	141.3	172.7	-55.7	175.1	-169.8	170.3	1.3	109.6	D749 N753 M754	D749-R751 PolarHBondContact O-N 2.91Å; R751-N753 WeakPolarHBondContact CB-OD1 3.47Å; R751-N753 PolarHBondContact O-N 2.68Å; R751-N753 VanDerWaalsContact O-N 3.13Å; R751-M754 HydrophobicContact CB-CG 4.1Å; R751-M754 HydrophobicContact CB-SD 4.37Å; R751-M754 PolarHBondContact N-SD 2.9Å; R751-M754 WeakPolarHBondContact O-CB 3.32Å; R751-M754 WeakPolarHBondContact O-CG 3.44Å; R751-M754 PolarHBondContact O-N 3.17Å
752	N	79.4	Confident	81	Confident	154 Å²	154	107.8 Å²	107.8	82%	0.824	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.5	-177.4	-73.8	-20.3	0	0	0	113	M754 R759	N752-M754 VanDerWaalsContact C-N 3.3Å; N752-M754 PolarHBondContact O-N 3.07Å; N752-R759 PolarHBondContact O-NH2 2.82Å
753	N	84.7	Confident	81.2	Confident	130 Å²	130	108.4 Å²	108.4	70%	0.695	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-5.1	179.5	66.2	-12.9	0	0	0	115.1	R751 T755	R751-N753 WeakPolarHBondContact CB-OD1 3.47Å; R751-N753 PolarHBondContact O-N 2.68Å; R751-N753 VanDerWaalsContact O-N 3.13Å; N753-T755 PolarHBondContact O-N 3.01Å
754	M	83.4	Confident	81.4	Confident	38 Å²	38	111.7 Å²	111.7	19%	0.187	52%	0.524	C	S	.	.			trans	-71	129.1	179.1	-66	176.9	75.7	0	0	111.3	L750 R751 N752 E758 R759 A762	L750-M754 HydrophobicContact CD2-SD 4.32Å; R751-M754 HydrophobicContact CB-CG 4.1Å; R751-M754 HydrophobicContact CB-SD 4.37Å; R751-M754 PolarHBondContact N-SD 2.9Å; R751-M754 WeakPolarHBondContact O-CB 3.32Å; R751-M754 WeakPolarHBondContact O-CG 3.44Å; R751-M754 PolarHBondContact O-N 3.17Å; N752-M754 VanDerWaalsContact C-N 3.3Å; N752-M754 PolarHBondContact O-N 3.07Å; M754-E758 WeakPolarHBondContact CA-OE2 3.27Å; M754-E758 HydrophobicContact CB-CB 4.19Å; M754-E758 HydrophobicContact CE-CB 3.9Å; M754-R759 HydrophobicContact CB-CG 3.73Å; M754-R759 PolarHBondContact O-NE 2.97Å; M754-A762 HydrophobicContact CE-CB 3.84Å
755	T	85.8	Confident	81.7	Confident	76 Å²	76	112.1 Å²	112.1	47%	0.466	53%	0.526	S	S	.	.			trans	-61.3	158.1	170.1	63.5	0	0	0	0	111.5	N753 K757 E758 R759	N753-T755 PolarHBondContact O-N 3.01Å; T755-K757 PolarHBondContact O-N 2.87Å; T755-K757 VanDerWaalsContact O-N 3.15Å; T755-E758 WeakPolarHBondContact CB-OE2 3.39Å; T755-E758 WeakPolarHBondContact CG2-OE2 3.35Å; T755-E758 PolarHBondContact N-OE2 2.76Å; T755-E758 PolarHBondContact O-N 2.93Å; T755-E758 VanDerWaalsContact O-N 3.1Å; T755-E758 WeakPolarHBondContact OG1-CB 3.47Å; T755-E758 VanDerWaalsContact OG1-CD 3.3Å; T755-E758 VanDerWaalsContact OG1-CG 3.23Å; T755-E758 WeakPolarHBondContact OG1-CG 3.34Å; T755-E758 PolarHBondContact OG1-N 3.49Å; T755-E758 PolarHBondContact OG1-OE2 2.85Å; T755-R759 WeakPolarHBondContact O-CG 3.48Å; T755-R759 PolarHBondContact O-N 2.97Å
756	A	81.8	Confident	81.9	Confident	87 Å²	87	112.6 Å²	112.6	72%	0.719	53%	0.525	S	S	*	.	H	α-helix	trans	-55.4	-33.9	175.2	0	0	0	0	0	112.8	R760	A756-R760 VanDerWaalsContact O-CB 3.32Å; A756-R760 WeakPolarHBondContact O-CB 3.18Å; A756-R760 PolarHBondContact O-N 2.71Å
757	K	83.4	Confident	82	Confident	175 Å²	175	106.9 Å²	106.9	76%	0.761	50%	0.501	S	S	*	.	H	α-helix	trans	-68.4	-44.8	176.5	-172.5	180	178.1	-176.2	0	111.9	T755 R760 L761	T755-K757 PolarHBondContact O-N 2.87Å; T755-K757 VanDerWaalsContact O-N 3.15Å; K757-R760 PolarHBondContact O-N 3.28Å; K757-L761 WeakPolarHBondContact O-CB 3.42Å; K757-L761 PolarHBondContact O-N 3.35Å
758	E	85.9	Confident	82.3	Confident	96 Å²	96	99 Å²	99	45%	0.449	48%	0.479	S	S	.	.	H	α-helix	trans	-65.6	-42.9	176.4	-72.2	164.2	145.5	0	0	111.7	M754 T755 R760 L761 A762	M754-E758 WeakPolarHBondContact CA-OE2 3.27Å; M754-E758 HydrophobicContact CB-CB 4.19Å; M754-E758 HydrophobicContact CE-CB 3.9Å; T755-E758 WeakPolarHBondContact CB-OE2 3.39Å; T755-E758 WeakPolarHBondContact CG2-OE2 3.35Å; T755-E758 PolarHBondContact N-OE2 2.76Å; T755-E758 PolarHBondContact O-N 2.93Å; T755-E758 VanDerWaalsContact O-N 3.1Å; T755-E758 WeakPolarHBondContact OG1-CB 3.47Å; T755-E758 VanDerWaalsContact OG1-CD 3.3Å; T755-E758 VanDerWaalsContact OG1-CG 3.23Å; T755-E758 WeakPolarHBondContact OG1-CG 3.34Å; T755-E758 PolarHBondContact OG1-N 3.49Å; T755-E758 PolarHBondContact OG1-OE2 2.85Å; E758-R760 VanDerWaalsContact C-N 3.33Å; E758-R760 PolarHBondContact O-N 3.46Å; E758-L761 PolarHBondContact O-N 3.14Å; E758-A762 WeakPolarHBondContact O-CB 3.27Å; E758-A762 PolarHBondContact O-N 3.31Å
759	R	81.4	Confident	82.6	Confident	97 Å²	97	100.3 Å²	100.3	37%	0.366	49%	0.485	S	S	.	.	H	α-helix	trans	-58.2	-47.1	173.9	-66.1	-176.5	-172.7	-167.6	-2.3	110.5	L750 N752 M754 T755 L761 A762 Y763	L750-R759 HydrophobicContact CD2-CB 4.33Å; L750-R759 HydrophobicContact CD2-CG 4.09Å; N752-R759 PolarHBondContact O-NH2 2.82Å; M754-R759 HydrophobicContact CB-CG 3.73Å; M754-R759 PolarHBondContact O-NE 2.97Å; T755-R759 WeakPolarHBondContact O-CG 3.48Å; T755-R759 PolarHBondContact O-N 2.97Å; R759-L761 VanDerWaalsContact C-N 3.34Å; R759-L761 PolarHBondContact O-N 3.09Å; R759-A762 PolarHBondContact O-N 2.99Å; R759-Y763 WeakPolarHBondContact O-CD2 3.41Å; R759-Y763 PolarHBondContact O-N 3.22Å
760	R	82.9	Confident	82.9	Confident	153 Å²	153	101 Å²	101	58%	0.577	48%	0.478	S	S	*	.	H	α-helix	trans	-60.9	-40.6	176.9	-172.2	178.8	-174.9	-172.7	2.4	112.3	A756 K757 E758 R764	A756-R760 VanDerWaalsContact O-CB 3.32Å; A756-R760 WeakPolarHBondContact O-CB 3.18Å; A756-R760 PolarHBondContact O-N 2.71Å; K757-R760 PolarHBondContact O-N 3.28Å; E758-R760 VanDerWaalsContact C-N 3.33Å; E758-R760 PolarHBondContact O-N 3.46Å; R760-R764 WeakPolarHBondContact O-CB 3.37Å; R760-R764 PolarHBondContact O-N 3.04Å
761	L	86.1	Confident	83.1	Confident	108 Å²	108	99.9 Å²	99.9	57%	0.565	47%	0.471	S	S	*	.	H	α-helix	trans	-67.2	-42.8	177.1	-175.7	63.9	0	0	0	111.6	K757 E758 R759 R764 K765	K757-L761 WeakPolarHBondContact O-CB 3.42Å; K757-L761 PolarHBondContact O-N 3.35Å; E758-L761 PolarHBondContact O-N 3.14Å; R759-L761 VanDerWaalsContact C-N 3.34Å; R759-L761 PolarHBondContact O-N 3.09Å; L761-R764 PolarHBondContact O-N 2.82Å; L761-K765 PolarHBondContact O-N 2.62Å
762	A	83	Confident	83.2	Confident	24 Å²	24	95 Å²	95	20%	0.198	46%	0.457	C	S	.	.	H	α-helix	trans	-64.4	-44.4	177.8	0	0	0	0	0	112	V748 M754 E758 R759 R764 K765 Y766	V748-A762 HydrophobicContact CG1-CB 3.73Å; M754-A762 HydrophobicContact CE-CB 3.84Å; E758-A762 WeakPolarHBondContact O-CB 3.27Å; E758-A762 PolarHBondContact O-N 3.31Å; R759-A762 PolarHBondContact O-N 2.99Å; A762-R764 PolarHBondContact O-N 3.13Å; A762-K765 PolarHBondContact O-N 3.45Å; A762-Y766 PolarHBondContact O-N 3.49Å
763	Y	84.7	Confident	83.4	Confident	110 Å²	110	90.2 Å²	90.2	43%	0.431	43%	0.428	S	S	.	.	H	α-helix	trans	-60.5	-44.8	172	-81.9	-62	0	0	0	112	V748 L750 R759 K765 Y766 H767	V748-Y763 HydrophobicContact CG2-CD1 4.24Å; L750-Y763 HydrophobicContact CD1-CE2 4.07Å; L750-Y763 VanDerWaalsContact CD1-OH 3.24Å; L750-Y763 WeakPolarHBondContact CD1-OH 3.39Å; L750-Y763 HydrophobicContact CD2-CE2 4.22Å; R759-Y763 WeakPolarHBondContact O-CD2 3.41Å; R759-Y763 PolarHBondContact O-N 3.22Å; Y763-K765 VanDerWaalsContact C-N 3.32Å; Y763-K765 PolarHBondContact O-N 3.34Å; Y763-Y766 PolarHBondContact O-N 2.92Å; Y763-H767 WeakPolarHBondContact O-CB 3.41Å; Y763-H767 PolarHBondContact O-CD2 2.96Å; Y763-H767 PolarHBondContact O-N 2.88Å
764	R	83.8	Confident	83.2	Confident	143 Å²	143	84.2 Å²	84.2	54%	0.54	40%	0.397	S	S	.	.	H	α-helix	trans	-59.5	-43.3	177.4	-174.7	-176.8	-67.7	165.2	-2.8	111.5	R760 L761 A762 H767 S768	R760-R764 WeakPolarHBondContact O-CB 3.37Å; R760-R764 PolarHBondContact O-N 3.04Å; L761-R764 PolarHBondContact O-N 2.82Å; A762-R764 PolarHBondContact O-N 3.13Å; R764-H767 PolarHBondContact O-N 3.25Å; R764-S768 PolarHBondContact O-N 3.29Å
765	K	85.6	Confident	83.2	Confident	139 Å²	139	85.4 Å²	85.4	60%	0.604	40%	0.402	S	S	*	.	H	α-helix	trans	-62	-50.8	175.8	179.6	164.9	-179.9	166.1	0	111.3	L761 A762 Y763 H767 S768 D769	L761-K765 PolarHBondContact O-N 2.62Å; A762-K765 PolarHBondContact O-N 3.45Å; Y763-K765 VanDerWaalsContact C-N 3.32Å; Y763-K765 PolarHBondContact O-N 3.34Å; K765-H767 VanDerWaalsContact C-N 3.31Å; K765-H767 PolarHBondContact O-N 2.85Å; K765-S768 WeakPolarHBondContact O-CA 3.24Å; K765-S768 WeakPolarHBondContact O-CB 3.4Å; K765-S768 PolarHBondContact O-N 3.21Å; K765-D769 VanDerWaalsContact O-CG 3.3Å; K765-D769 PolarHBondContact O-N 3.5Å
766	Y	84.2	Confident	83.2	Confident	37 Å²	37	82.3 Å²	82.3	15%	0.145	38%	0.382	C	S	.	.	H	α-helix	trans	-57.7	-41.1	177	172.8	-102.2	0	0	0	113.4	P745 K746 V748 A762 Y763 S768 D769 R770	P745-Y766 HydrophobicContact CB-CD2 4.48Å; P745-Y766 HydrophobicContact CB-CE2 4.36Å; K746-Y766 VanDerWaalsContact O-CD2 3.22Å; K746-Y766 WeakPolarHBondContact O-CD2 3.49Å; K746-Y766 VanDerWaalsContact O-CE2 3.23Å; K746-Y766 WeakPolarHBondContact O-CE2 3.22Å; V748-Y766 HydrophobicContact CG2-CD1 4.2Å; V748-Y766 HydrophobicContact CG2-CD2 4.2Å; V748-Y766 HydrophobicContact CG2-CG 3.65Å; A762-Y766 PolarHBondContact O-N 3.49Å; Y763-Y766 PolarHBondContact O-N 2.92Å; Y766-S768 VanDerWaalsContact C-N 3.33Å; Y766-D769 PolarHBondContact O-N 3.31Å; Y766-R770 WeakPolarHBondContact O-CB 3.33Å; Y766-R770 PolarHBondContact O-N 3.4Å
767	H	80.7	Confident	83.2	Confident	72 Å²	72	80 Å²	80	33%	0.333	36%	0.36	S	S	.	.	H	α-helix	trans	-64.9	-36.3	175.3	-80.8	-67.6	0	0	0	112.7	Y763 R764 K765 Q771	Y763-H767 WeakPolarHBondContact O-CB 3.41Å; Y763-H767 PolarHBondContact O-CD2 2.96Å; Y763-H767 PolarHBondContact O-N 2.88Å; R764-H767 PolarHBondContact O-N 3.25Å; K765-H767 VanDerWaalsContact C-N 3.31Å; K765-H767 PolarHBondContact O-N 2.85Å; H767-Q771 PolarHBondContact O-N 3.25Å
768	S	82.6	Confident	83.1	Confident	53 Å²	53	74.2 Å²	74.2	37%	0.371	34%	0.342	S	S	.	.	H	α-helix	trans	-66.8	-50.5	173	-161.5	0	0	0	0	111.2	R764 K765 Y766 R770 Q771 D772	R764-S768 PolarHBondContact O-N 3.29Å; K765-S768 WeakPolarHBondContact O-CA 3.24Å; K765-S768 WeakPolarHBondContact O-CB 3.4Å; K765-S768 PolarHBondContact O-N 3.21Å; Y766-S768 VanDerWaalsContact C-N 3.33Å; S768-R770 PolarHBondContact O-N 3.24Å; S768-Q771 WeakPolarHBondContact O-CA 3.4Å; S768-Q771 WeakPolarHBondContact O-CB 3.34Å; S768-Q771 PolarHBondContact O-N 2.84Å; S768-D772 PolarHBondContact O-N 3.14Å
769	D	84.5	Confident	83.1	Confident	64 Å²	64	74.4 Å²	74.4	34%	0.342	35%	0.346	S	S	.	.	H	α-helix	trans	-60.9	-35.6	179.5	-59.3	-17.1	0	0	0	111	P745 K765 Y766 D772 Y773	P745-D769 HydrophobicContact CB-CB 3.97Å; P745-D769 HydrophobicContact CG-CB 4.48Å; K765-D769 VanDerWaalsContact O-CG 3.3Å; K765-D769 PolarHBondContact O-N 3.5Å; Y766-D769 PolarHBondContact O-N 3.31Å; D769-D772 PolarHBondContact O-N 3.49Å; D769-Y773 VanDerWaalsContact O-CB 3.28Å; D769-Y773 WeakPolarHBondContact O-CB 3.21Å; D769-Y773 PolarHBondContact O-N 3.45Å
770	R	81.9	Confident	83.4	Confident	142 Å²	142	71 Å²	71	54%	0.536	33%	0.333	S	S	.	.	H	α-helix	trans	-69.5	-35	173.8	-174.8	179.8	171.1	116.7	1.2	112.8	P745 Y766 S768 G774	P745-R770 HydrophobicContact CG-CB 4.23Å; Y766-R770 WeakPolarHBondContact O-CB 3.33Å; Y766-R770 PolarHBondContact O-N 3.4Å; S768-R770 PolarHBondContact O-N 3.24Å; R770-G774 PolarHBondContact O-N 2.92Å
771	Q	80	Confident	83.4	Confident	37 Å²	37	65.5 Å²	65.5	17%	0.173	32%	0.317	C	S	.	.	H	α-helix	trans	-59.5	-54.8	170.4	173.2	176	5.2	0	0	109.8	L8 H767 S768 Y773 G774 E775	L8-Q771 HydrophobicContact CB-CG 3.97Å; L8-Q771 HydrophobicContact CD1-CB 3.37Å; L8-Q771 HydrophobicContact CD1-CG 3.49Å; L8-Q771 VanDerWaalsContact CD1-CG 3.49Å; L8-Q771 HydrophobicContact CD2-CB 3.99Å; L8-Q771 VanDerWaalsContact CD2-CD 3.5Å; L8-Q771 HydrophobicContact CD2-CG 4.15Å; L8-Q771 HydrophobicContact CG-CB 4.11Å; L8-Q771 HydrophobicContact CG-CG 3.99Å; H767-Q771 PolarHBondContact O-N 3.25Å; S768-Q771 WeakPolarHBondContact O-CA 3.4Å; S768-Q771 WeakPolarHBondContact O-CB 3.34Å; S768-Q771 PolarHBondContact O-N 2.84Å; Q771-Y773 VanDerWaalsContact C-N 3.34Å; Q771-Y773 PolarHBondContact O-N 3.03Å; Q771-G774 CarbonylContact O-C 3.4Å; Q771-G774 WeakPolarHBondContact O-CA 3.33Å; Q771-G774 PolarHBondContact O-N 3.45Å; Q771-E775 HydrophobicContact CG-CG 4.48Å; Q771-E775 PolarHBondContact NE2-OE1 3.04Å; Q771-E775 PolarHBondContact O-N 3.39Å
772	D	81.5	Confident	83.5	Confident	59 Å²	59	63.1 Å²	63.1	32%	0.316	31%	0.307	S	S	.	.	H	α-helix	trans	-63.9	-42.8	-172.4	-63.2	-17.2	0	0	0	110.4	S768 D769 G774 E775 F776	S768-D772 PolarHBondContact O-N 3.14Å; D769-D772 PolarHBondContact O-N 3.49Å; D772-G774 VanDerWaalsContact C-N 3.26Å; D772-G774 PolarHBondContact O-N 3.32Å; D772-E775 PolarHBondContact O-N 3.27Å; D772-F776 WeakPolarHBondContact O-CB 3.37Å; D772-F776 PolarHBondContact O-N 3.29Å
773	Y	84.1	Confident	83.9	Confident	55 Å²	55	62.7 Å²	62.7	22%	0.216	30%	0.302	C	S	.	.	H	α-helix	trans	-59	-39	170.9	-179.1	-103.7	0	0	0	112.1	R742 S743 K744 D769 Q771 F776 C777	R742-Y773 WeakPolarHBondContact O-CE2 3.44Å; S743-Y773 WeakPolarHBondContact O-CD2 3.34Å; K744-Y773 HydrophobicContact CB-CE1 4.17Å; K744-Y773 HydrophobicContact CB-CE2 4.14Å; K744-Y773 HydrophobicContact CG-CD1 4.48Å; K744-Y773 HydrophobicContact CG-CE1 4.01Å; D769-Y773 VanDerWaalsContact O-CB 3.28Å; D769-Y773 WeakPolarHBondContact O-CB 3.21Å; D769-Y773 PolarHBondContact O-N 3.45Å; Q771-Y773 VanDerWaalsContact C-N 3.34Å; Q771-Y773 PolarHBondContact O-N 3.03Å; Y773-F776 AromaticContact CD2-CD1 3.97Å; Y773-F776 HydrophobicContact CD2-CD1 3.97Å; Y773-F776 HydrophobicContact CE2-CD1 4.02Å; Y773-F776 HydrophobicContact CE2-CE1 4.13Å; Y773-F776 WeakPolarHBondContact O-CB 3.24Å; Y773-F776 PolarHBondContact O-N 2.91Å; Y773-C777 WeakPolarHBondContact CE1-SG 3.43Å; Y773-C777 VanDerWaalsContact CZ-SG 3.51Å; Y773-C777 PolarHBondContact O-N 2.73Å; Y773-C777 PolarHBondContact O-SG 3.37Å
774	G	80.7	Confident	84.2	Confident	4 Å²	4	57.7 Å²	57.7	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-65.1	-43.2	176.8	0	0	0	0	0	113.8	R7 R770 Q771 D772 C777 S778	R7-G774 PolarHBondContact NE-O 2.95Å; R7-G774 PolarHBondContact NH1-O 3.42Å; R7-G774 PolarHBondContact NH2-O 3.03Å; R770-G774 PolarHBondContact O-N 2.92Å; Q771-G774 CarbonylContact O-C 3.4Å; Q771-G774 WeakPolarHBondContact O-CA 3.33Å; Q771-G774 PolarHBondContact O-N 3.45Å; D772-G774 VanDerWaalsContact C-N 3.26Å; D772-G774 PolarHBondContact O-N 3.32Å; G774-C777 PolarHBondContact O-N 3.33Å; G774-S778 PolarHBondContact O-N 3.19Å
775	E	83.1	Confident	84.7	Confident	63 Å²	63	53.6 Å²	53.6	29%	0.294	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-43.9	174.6	-68.6	-179.9	-171.2	0	0	110.6	R7 Q771 D772 C777 S778 L779	R7-E775 HydrophobicContact CB-CG 4.42Å; Q771-E775 HydrophobicContact CG-CG 4.48Å; Q771-E775 PolarHBondContact NE2-OE1 3.04Å; Q771-E775 PolarHBondContact O-N 3.39Å; D772-E775 PolarHBondContact O-N 3.27Å; E775-C777 PolarHBondContact O-N 2.69Å; E775-S778 WeakPolarHBondContact O-CB 3.39Å; E775-S778 PolarHBondContact O-N 2.73Å; E775-S778 VanDerWaalsContact O-N 3.15Å; E775-L779 PolarHBondContact O-N 3.16Å
776	F	84.7	Confident	85.1	Confident	10 Å²	10	48 Å²	48	4%	0.044	24%	0.242	C	C	.	.	H	α-helix	trans	-53.1	-53.3	171.2	159	-103.6	0	0	0	112.3	P739 E740 W741 R742 D772 Y773 S778 L779 W780	P739-F776 HydrophobicContact CB-CD2 4.14Å; P739-F776 HydrophobicContact CB-CE2 4.09Å; E740-F776 WeakPolarHBondContact O-CD2 3.15Å; E740-F776 WeakPolarHBondContact O-CE2 3.38Å; W741-F776 HydrophobicContact CD2-CZ 4.37Å; W741-F776 HydrophobicContact CE3-CE1 4.44Å; W741-F776 AromaticContact CE3-CZ 3.8Å; W741-F776 HydrophobicContact CE3-CZ 3.8Å; W741-F776 HydrophobicContact CZ3-CE1 4.47Å; W741-F776 HydrophobicContact CZ3-CZ 4.17Å; R742-F776 HydrophobicContact CB-CD1 4Å; R742-F776 HydrophobicContact CB-CD2 4.44Å; R742-F776 HydrophobicContact CB-CE1 4.16Å; R742-F776 HydrophobicContact CB-CG 4.15Å; R742-F776 HydrophobicContact CB-CZ 4.48Å; R742-F776 HydrophobicContact CG-CD2 4.17Å; R742-F776 HydrophobicContact CG-CG 4.2Å; D772-F776 WeakPolarHBondContact O-CB 3.37Å; D772-F776 PolarHBondContact O-N 3.29Å; Y773-F776 AromaticContact CD2-CD1 3.97Å; Y773-F776 HydrophobicContact CD2-CD1 3.97Å; Y773-F776 HydrophobicContact CE2-CD1 4.02Å; Y773-F776 HydrophobicContact CE2-CE1 4.13Å; Y773-F776 WeakPolarHBondContact O-CB 3.24Å; Y773-F776 PolarHBondContact O-N 2.91Å; F776-S778 PolarHBondContact O-N 3.08Å; F776-L779 PolarHBondContact O-N 3.11Å; F776-L779 VanDerWaalsContact O-N 3.12Å; F776-W780 HydrophobicContact CE2-CB 4.25Å; F776-W780 HydrophobicContact CE2-CE3 4.26Å; F776-W780 HydrophobicContact CZ-CB 4.33Å; F776-W780 HydrophobicContact CZ-CE3 4.37Å; F776-W780 WeakPolarHBondContact O-CB 3.19Å; F776-W780 PolarHBondContact O-N 2.91Å
777	C	81.8	Confident	85.7	Confident	39 Å²	39	46.2 Å²	46.2	26%	0.264	24%	0.235	S	C	.	.	H	α-helix	trans	-58	-34.7	179.6	-68.4	0	0	0	0	112.5	Y773 G774 E775 S781	Y773-C777 WeakPolarHBondContact CE1-SG 3.43Å; Y773-C777 VanDerWaalsContact CZ-SG 3.51Å; Y773-C777 PolarHBondContact O-N 2.73Å; Y773-C777 PolarHBondContact O-SG 3.37Å; G774-C777 PolarHBondContact O-N 3.33Å; E775-C777 PolarHBondContact O-N 2.69Å; C777-S781 WeakPolarHBondContact O-CB 3.42Å; C777-S781 PolarHBondContact O-N 3.46Å
778	S	82.8	Confident	86.4	Confident	54 Å²	54	42.8 Å²	42.8	38%	0.378	22%	0.219	S	C	.	.	H	α-helix	trans	-68.3	-43.8	177.8	-166.2	0	0	0	0	112	G774 E775 F776 T782	G774-S778 PolarHBondContact O-N 3.19Å; E775-S778 WeakPolarHBondContact O-CB 3.39Å; E775-S778 PolarHBondContact O-N 2.73Å; E775-S778 VanDerWaalsContact O-N 3.15Å; F776-S778 PolarHBondContact O-N 3.08Å; S778-T782 PolarHBondContact O-N 2.93Å; S778-T782 VanDerWaalsContact O-N 3.11Å; S778-T782 PolarHBondContact O-OG1 3.33Å
779	L	85.9	Confident	87.1	Confident	100 Å²	100	40.2 Å²	40.2	52%	0.524	20%	0.201	S	C	.	.	H	α-helix	trans	-66.4	-46.1	176.6	-66.5	172	0	0	0	110.5	P739 E775 F776 S781 T782 E783	P739-L779 HydrophobicContact CB-CB 4.41Å; P739-L779 HydrophobicContact CG-CB 3.64Å; E775-L779 PolarHBondContact O-N 3.16Å; F776-L779 PolarHBondContact O-N 3.11Å; F776-L779 VanDerWaalsContact O-N 3.12Å; L779-S781 VanDerWaalsContact C-N 3.35Å; L779-S781 PolarHBondContact O-N 3.03Å; L779-T782 WeakPolarHBondContact O-CB 3.21Å; L779-T782 PolarHBondContact O-N 3.07Å; L779-T782 VanDerWaalsContact O-N 3.09Å; L779-E783 PolarHBondContact O-N 3.06Å
780	W	86	Confident	87.8	Confident	26 Å²	26	37.2 Å²	37.2	10%	0.098	19%	0.185	C	C	.	.	H	α-helix	trans	-54.1	-49.5	176.1	178.6	-94	0	0	0	111.9	L390 P739 F776 T782 E783 L784	L390-W780 HydrophobicContact CB-CH2 4.48Å; L390-W780 HydrophobicContact CB-CZ2 4.08Å; L390-W780 HydrophobicContact CD1-CH2 3.83Å; L390-W780 HydrophobicContact CD1-CZ2 3.99Å; L390-W780 HydrophobicContact CD1-CZ3 4.44Å; P739-W780 HydrophobicContact CB-CE3 4.41Å; F776-W780 HydrophobicContact CE2-CB 4.25Å; F776-W780 HydrophobicContact CE2-CE3 4.26Å; F776-W780 HydrophobicContact CZ-CB 4.33Å; F776-W780 HydrophobicContact CZ-CE3 4.37Å; F776-W780 WeakPolarHBondContact O-CB 3.19Å; F776-W780 PolarHBondContact O-N 2.91Å; W780-T782 VanDerWaalsContact C-N 3.31Å; W780-T782 PolarHBondContact O-N 3.24Å; W780-E783 PolarHBondContact O-N 3.45Å; W780-L784 VanDerWaalsContact O-CB 3.27Å; W780-L784 WeakPolarHBondContact O-CB 3.3Å; W780-L784 PolarHBondContact O-N 2.87Å
781	S	84.7	Confident	88.5	Confident	36 Å²	36	33.1 Å²	33.1	25%	0.252	17%	0.174	S	C	.	.	H	α-helix	trans	-62.1	-38.8	177.8	174.6	0	0	0	0	112.5	C777 L779 Y785	C777-S781 WeakPolarHBondContact O-CB 3.42Å; C777-S781 PolarHBondContact O-N 3.46Å; L779-S781 VanDerWaalsContact C-N 3.35Å; L779-S781 PolarHBondContact O-N 3.03Å; S781-Y785 WeakPolarHBondContact O-CD1 3.49Å; S781-Y785 PolarHBondContact O-N 3.36Å; S781-Y785 WeakPolarHBondContact OG-CE2 3.38Å
782	T	88.5	Confident	89.3	Confident	58 Å²	58	34 Å²	34	36%	0.356	18%	0.178	S	C	.	.	H	α-helix	trans	-63	-47.4	178.5	-58.4	0	0	0	0	111	S778 L779 W780 Y785 R786	S778-T782 PolarHBondContact O-N 2.93Å; S778-T782 VanDerWaalsContact O-N 3.11Å; S778-T782 PolarHBondContact O-OG1 3.33Å; L779-T782 WeakPolarHBondContact O-CB 3.21Å; L779-T782 PolarHBondContact O-N 3.07Å; L779-T782 VanDerWaalsContact O-N 3.09Å; W780-T782 VanDerWaalsContact C-N 3.31Å; W780-T782 PolarHBondContact O-N 3.24Å; T782-Y785 PolarHBondContact O-N 3Å; T782-R786 VanDerWaalsContact CG2-NH2 3.35Å; T782-R786 WeakPolarHBondContact O-CB 3.3Å; T782-R786 PolarHBondContact O-N 3.15Å
783	E	91.3	Very high	90.1	Very high	16 Å²	16	31.3 Å²	31.3	8%	0.075	16%	0.164	C	C	.	.	H	α-helix	trans	-70.1	-40.4	179	-62.1	-47.2	129.7	0	0	112.2	P739 L779 W780 Y785 R786 L787	P739-E783 HydrophobicContact CG-CG 4.08Å; L779-E783 PolarHBondContact O-N 3.06Å; W780-E783 PolarHBondContact O-N 3.45Å; E783-Y785 VanDerWaalsContact C-N 3.33Å; E783-Y785 PolarHBondContact O-N 3.16Å; E783-R786 PolarHBondContact O-N 3.06Å; E783-R786 IonicContact OE1-CZ 3.34Å; E783-R786 IonicContact OE1-NH1 3.64Å; E783-R786 PolarHBondContact OE1-NH1 2.81Å; E783-R786 IonicContact OE1-NH2 3.61Å; E783-R786 PolarHBondContact OE1-NH2 3.02Å; E783-R786 IonicContact OE2-CZ 2.82Å; E783-R786 IonicContact OE2-NH1 3.74Å; E783-R786 PolarHBondContact OE2-NH1 3.06Å; E783-R786 IonicContact OE2-NH2 2.6Å; E783-L787 WeakPolarHBondContact O-CB 3.38Å; E783-L787 VanDerWaalsContact O-CG 3.3Å; E783-L787 WeakPolarHBondContact O-CG 3.49Å; E783-L787 PolarHBondContact O-N 3.49Å
784	L	90.4	Very high	90.7	Very high	4 Å²	4	31 Å²	31	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-54.3	-49.9	173.3	170.7	64	0	0	0	111.1	P388 L390 P392 L641 W780 S788	P388-L784 HydrophobicContact CB-CD1 4.14Å; L390-L784 HydrophobicContact CB-CD1 3.99Å; L390-L784 VanDerWaalsContact O-CD1 3.29Å; L390-L784 WeakPolarHBondContact O-CD1 3.08Å; P392-L784 HydrophobicContact CB-CD2 4.36Å; L641-L784 HydrophobicContact CD1-CD1 4.43Å; L641-L784 HydrophobicContact CD1-CG 4.23Å; L641-L784 HydrophobicContact CD2-CD2 4.31Å; W780-L784 VanDerWaalsContact O-CB 3.27Å; W780-L784 WeakPolarHBondContact O-CB 3.3Å; W780-L784 PolarHBondContact O-N 2.87Å; L784-S788 WeakPolarHBondContact O-CB 3.28Å; L784-S788 PolarHBondContact O-N 3.15Å; L784-S788 PolarHBondContact O-OG 3.3Å
785	Y	92.9	Very high	91.5	Very high	58 Å²	58	37.3 Å²	37.3	23%	0.227	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-44.8	-179.6	-64.5	-10.2	0	0	0	111.2	L641 F643 S781 T782 E783 S788 I789 H816	L641-Y785 HydrophobicContact CD1-CD1 4.02Å; L641-Y785 HydrophobicContact CD1-CE1 4.43Å; L641-Y785 HydrophobicContact CD2-CD1 4.27Å; L641-Y785 HydrophobicContact CD2-CE1 3.83Å; F643-Y785 HydrophobicContact CE1-CD1 4.37Å; F643-Y785 HydrophobicContact CE1-CD2 4.11Å; F643-Y785 HydrophobicContact CE1-CG 4.02Å; F643-Y785 AromaticContact CZ-CD1 3.87Å; F643-Y785 HydrophobicContact CZ-CD1 3.87Å; F643-Y785 HydrophobicContact CZ-CD2 4.4Å; F643-Y785 HydrophobicContact CZ-CE1 4.42Å; F643-Y785 AromaticContact CZ-CG 3.86Å; F643-Y785 HydrophobicContact CZ-CG 3.86Å; S781-Y785 WeakPolarHBondContact O-CD1 3.49Å; S781-Y785 PolarHBondContact O-N 3.36Å; S781-Y785 WeakPolarHBondContact OG-CE2 3.38Å; T782-Y785 PolarHBondContact O-N 3Å; E783-Y785 VanDerWaalsContact C-N 3.33Å; E783-Y785 PolarHBondContact O-N 3.16Å; Y785-S788 PolarHBondContact O-N 3.45Å; Y785-I789 WeakPolarHBondContact O-CB 3.46Å; Y785-I789 WeakPolarHBondContact O-CD1 3.5Å; Y785-I789 WeakPolarHBondContact O-CG1 3.24Å; Y785-I789 PolarHBondContact O-N 3.19Å; Y785-H816 AromaticContact CD2-ND1 3.83Å
786	R	95.1	Very high	92.1	Very high	20 Å²	20	38.4 Å²	38.4	8%	0.075	20%	0.199	C	C	.	.	H	α-helix	trans	-59	-52.8	179.8	-166.6	-174.3	-60.2	134.7	16.1	111.9	T782 E783 I789 A790 F817 S822 L828	T782-R786 VanDerWaalsContact CG2-NH2 3.35Å; T782-R786 WeakPolarHBondContact O-CB 3.3Å; T782-R786 PolarHBondContact O-N 3.15Å; E783-R786 PolarHBondContact O-N 3.06Å; E783-R786 IonicContact OE1-CZ 3.34Å; E783-R786 IonicContact OE1-NH1 3.64Å; E783-R786 PolarHBondContact OE1-NH1 2.81Å; E783-R786 IonicContact OE1-NH2 3.61Å; E783-R786 PolarHBondContact OE1-NH2 3.02Å; E783-R786 IonicContact OE2-CZ 2.82Å; E783-R786 IonicContact OE2-NH1 3.74Å; E783-R786 PolarHBondContact OE2-NH1 3.06Å; E783-R786 IonicContact OE2-NH2 2.6Å; R786-I789 PolarHBondContact O-N 3.09Å; R786-A790 WeakPolarHBondContact O-CB 3.46Å; R786-A790 PolarHBondContact O-N 3.27Å; R786-F817 HydrophobicContact CG-CD2 3.67Å; R786-F817 HydrophobicContact CG-CE2 4.45Å; R786-S822 PolarHBondContact NH1-OG 3.13Å; R786-L828 HydrophobicContact CG-CD1 4.28Å
787	L	96.6	Very high	92.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.3	-37.2	-177.5	-63.2	176.2	0	0	0	111.8	V389 L721 L724 A728 E783 N791 L828	V389-L787 HydrophobicContact CG2-CB 3.61Å; L721-L787 HydrophobicContact CD1-CD2 3.91Å; L724-L787 HydrophobicContact CB-CD2 3.77Å; L724-L787 HydrophobicContact CD1-CD2 4.18Å; L724-L787 HydrophobicContact CG-CD2 4.48Å; A728-L787 HydrophobicContact CB-CD1 4.14Å; E783-L787 WeakPolarHBondContact O-CB 3.38Å; E783-L787 VanDerWaalsContact O-CG 3.3Å; E783-L787 WeakPolarHBondContact O-CG 3.49Å; E783-L787 PolarHBondContact O-N 3.49Å; L787-N791 WeakPolarHBondContact O-CB 3.4Å; L787-N791 PolarHBondContact O-N 3.45Å; L787-L828 HydrophobicContact CD2-CD1 4.23Å
788	S	95.9	Very high	93.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-68.3	-41.8	178.1	-54.1	0	0	0	0	111.9	P388 V389 L784 Y785 N791 Q792	P388-S788 WeakPolarHBondContact CA-OG 3.49Å; V389-S788 PolarHBondContact N-OG 3.1Å; V389-S788 VanDerWaalsContact N-OG 3.08Å; L784-S788 WeakPolarHBondContact O-CB 3.28Å; L784-S788 PolarHBondContact O-N 3.15Å; L784-S788 PolarHBondContact O-OG 3.3Å; Y785-S788 PolarHBondContact O-N 3.45Å; S788-N791 PolarHBondContact O-N 3.34Å; S788-Q792 PolarHBondContact O-N 3.06Å
789	I	97.3	Very high	94.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.3	-49.7	174.7	-66.7	166.2	0	0	0	109.8	F643 L648 P649 Y785 R786 N791 Q792 Y793 H816 F817	F643-I789 HydrophobicContact CE1-CD1 4.19Å; F643-I789 HydrophobicContact CE2-CD1 4.33Å; F643-I789 HydrophobicContact CE2-CG1 4.21Å; F643-I789 HydrophobicContact CZ-CD1 4.05Å; F643-I789 HydrophobicContact CZ-CG1 4.32Å; L648-I789 HydrophobicContact CD2-CD1 3.79Å; L648-I789 HydrophobicContact CD2-CG1 3.78Å; L648-I789 HydrophobicContact CD2-CG2 4.19Å; P649-I789 HydrophobicContact CG-CG2 4.28Å; Y785-I789 WeakPolarHBondContact O-CB 3.46Å; Y785-I789 WeakPolarHBondContact O-CD1 3.5Å; Y785-I789 WeakPolarHBondContact O-CG1 3.24Å; Y785-I789 PolarHBondContact O-N 3.19Å; R786-I789 PolarHBondContact O-N 3.09Å; I789-N791 PolarHBondContact O-N 3.26Å; I789-Q792 PolarHBondContact O-N 3.06Å; I789-Y793 HydrophobicContact CG2-CD2 3.95Å; I789-Y793 HydrophobicContact CG2-CE2 4.14Å; I789-Y793 VanDerWaalsContact O-CD2 3.32Å; I789-Y793 WeakPolarHBondContact O-CD2 3.11Å; I789-Y793 PolarHBondContact O-N 3.19Å; I789-Y793 VanDerWaalsContact O-N 3.15Å; I789-H816 HydrophobicContact CD1-CB 3.57Å; I789-F817 HydrophobicContact CB-CB 4.11Å; I789-F817 HydrophobicContact CD1-CB 4.43Å; I789-F817 HydrophobicContact CG2-CB 3.76Å; I789-F817 HydrophobicContact CG2-CD1 3.89Å; I789-F817 HydrophobicContact CG2-CG 4.07Å
790	A	97.8	Very high	94.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-54.6	-42.9	177.1	0	0	0	0	0	111.7	I716 L721 R786 Q792 Y793 R794 F817 L828	I716-A790 HydrophobicContact CD1-CB 4.3Å; L721-A790 HydrophobicContact CD1-CB 3.86Å; L721-A790 HydrophobicContact CD2-CB 4.05Å; R786-A790 WeakPolarHBondContact O-CB 3.46Å; R786-A790 PolarHBondContact O-N 3.27Å; A790-Q792 PolarHBondContact O-N 3.45Å; A790-Y793 CarbonylContact O-C 3.52Å; A790-Y793 PolarHBondContact O-N 2.83Å; A790-R794 PolarHBondContact O-N 3.04Å; A790-F817 HydrophobicContact CB-CD2 4.26Å; A790-F817 HydrophobicContact CB-CE1 4.48Å; A790-F817 HydrophobicContact CB-CE2 3.8Å; A790-F817 HydrophobicContact CB-CZ 3.91Å; A790-L828 HydrophobicContact CB-CD1 4.39Å
791	N	97.9	Very high	95.2	Very high	56 Å²	56	30.2 Å²	30.2	30%	0.299	15%	0.15	S	C	.	.	H	α-helix	trans	-64.9	-34.6	177.6	-169.8	70	0	0	0	113.9	V389 L721 I725 L787 S788 I789 Y793 R794	V389-N791 HydrophobicContact CG1-CB 3.54Å; L721-N791 HydrophobicContact CD2-CB 4.25Å; I725-N791 HydrophobicContact CD1-CB 4.33Å; L787-N791 WeakPolarHBondContact O-CB 3.4Å; L787-N791 PolarHBondContact O-N 3.45Å; S788-N791 PolarHBondContact O-N 3.34Å; I789-N791 PolarHBondContact O-N 3.26Å; N791-Y793 VanDerWaalsContact C-N 3.29Å; N791-Y793 PolarHBondContact O-N 3.39Å; N791-R794 WeakPolarHBondContact O-CG 3.07Å; N791-R794 PolarHBondContact OD1-NE 3.46Å; N791-R794 PolarHBondContact OD1-NH2 3.19Å
792	Q	96.8	Very high	95.7	Very high	55 Å²	55	28.8 Å²	28.8	26%	0.257	14%	0.14	S	C	.	.	H	α-helix	trans	-70	-27.4	174.6	172.3	156.9	-29.8	0	0	113.4	T385 V386 S788 I789 A790 K796	T385-Q792 PolarHBondContact O-OE1 2.97Å; V386-Q792 HydrophobicContact CG1-CB 4.31Å; S788-Q792 PolarHBondContact O-N 3.06Å; I789-Q792 PolarHBondContact O-N 3.06Å; A790-Q792 PolarHBondContact O-N 3.45Å; Q792-K796 PolarHBondContact O-NZ 3.09Å
793	Y	97.4	Very high	95.9	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.016	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	13.8	-176.7	-75.2	-92.3	0	0	0	113.6	L648 P649 L651 I716 I789 A790 N791 K796 I798	L648-Y793 HydrophobicContact CB-CE2 4.4Å; L648-Y793 WeakPolarHBondContact CB-OH 3.49Å; P649-Y793 HydrophobicContact CB-CD1 4.43Å; P649-Y793 HydrophobicContact CB-CE1 4.12Å; P649-Y793 HydrophobicContact CG-CD2 4.34Å; P649-Y793 HydrophobicContact CG-CE1 4.42Å; P649-Y793 HydrophobicContact CG-CE2 4.25Å; P649-Y793 HydrophobicContact CG-CG 4.49Å; P649-Y793 WeakPolarHBondContact O-CE1 3.4Å; P649-Y793 PolarHBondContact O-OH 2.92Å; L651-Y793 HydrophobicContact CD2-CD1 3.75Å; L651-Y793 HydrophobicContact CD2-CE1 3.54Å; L651-Y793 HydrophobicContact CG-CE1 4.09Å; I716-Y793 WeakPolarHBondContact CG1-O 3.22Å; I789-Y793 HydrophobicContact CG2-CD2 3.95Å; I789-Y793 HydrophobicContact CG2-CE2 4.14Å; I789-Y793 VanDerWaalsContact O-CD2 3.32Å; I789-Y793 WeakPolarHBondContact O-CD2 3.11Å; I789-Y793 PolarHBondContact O-N 3.19Å; I789-Y793 VanDerWaalsContact O-N 3.15Å; A790-Y793 CarbonylContact O-C 3.52Å; A790-Y793 PolarHBondContact O-N 2.83Å; N791-Y793 VanDerWaalsContact C-N 3.29Å; N791-Y793 PolarHBondContact O-N 3.39Å; Y793-K796 HydrophobicContact CD1-CD 4.3Å; Y793-K796 PolarHBondContact O-N 3.23Å; Y793-I798 HydrophobicContact CD1-CG2 3.41Å; Y793-I798 VanDerWaalsContact CD1-CG2 3.41Å; Y793-I798 HydrophobicContact CE1-CG2 4.11Å; Y793-I798 HydrophobicContact CG-CG2 4.12Å
794	R	97.3	Very high	96	Very high	49 Å²	49	25.6 Å²	25.6	19%	0.185	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	142.5	168.2	-71.8	-177.1	-174.8	-94.4	6.4	111.1	N718 L721 D722 A790 N791 K796	N718-R794 PolarHBondContact O-NH1 3.41Å; N718-R794 WeakPolarHBondContact OD1-CG 3.07Å; L721-R794 HydrophobicContact CD2-CG 4.03Å; D722-R794 IonicContact OD1-CZ 2.77Å; D722-R794 IonicContact OD1-NH1 2.74Å; D722-R794 PolarHBondContact OD1-NH1 2.8Å; D722-R794 IonicContact OD1-NH2 3.62Å; D722-R794 PolarHBondContact OD1-NH2 3.37Å; D722-R794 IonicContact OD2-NH1 3.14Å; A790-R794 PolarHBondContact O-N 3.04Å; N791-R794 WeakPolarHBondContact O-CG 3.07Å; N791-R794 PolarHBondContact OD1-NE 3.46Å; N791-R794 PolarHBondContact OD1-NH2 3.19Å; R794-K796 WeakPolarHBondContact O-CG 3.14Å; R794-K796 PolarHBondContact O-N 3.39Å
795	D	96.5	Very high	96.1	Very high	136 Å²	136	26 Å²	26	73%	0.727	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	17.9	173.3	-46.4	-48.9	0	0	0	114.3	N718	N718-D795 PolarHBondContact ND2-OD1 3.05Å
796	K	96.9	Very high	96	Very high	86 Å²	86	24.8 Å²	24.8	37%	0.374	12%	0.119	S	C	.	.			trans	-113.7	145.9	175.9	-65.6	173	-166.1	161	0	109.8	L651 Q792 Y793 R794 I798	L651-K796 HydrophobicContact CD2-CB 4.17Å; L651-K796 HydrophobicContact CD2-CD 3.78Å; L651-K796 HydrophobicContact CD2-CG 4.43Å; Q792-K796 PolarHBondContact O-NZ 3.09Å; Y793-K796 HydrophobicContact CD1-CD 4.3Å; Y793-K796 PolarHBondContact O-N 3.23Å; R794-K796 WeakPolarHBondContact O-CG 3.14Å; R794-K796 PolarHBondContact O-N 3.39Å; K796-I798 HydrophobicContact CB-CG2 4.42Å
797	I	97.8	Very high	95.9	Very high	55 Å²	55	25.8 Å²	25.8	28%	0.282	12%	0.123	S	C	.	.			trans	-83.9	130.1	167.8	-56	169.8	0	0	0	107.3	I361 P713 W714 W799 A832	I361-I797 HydrophobicContact CD1-CD1 3.8Å; I361-I797 HydrophobicContact CD1-CG2 4.14Å; I361-I797 HydrophobicContact CG1-CD1 3.98Å; I361-I797 HydrophobicContact CG1-CG2 4.07Å; P713-I797 HydrophobicContact CB-CG2 3.83Å; W714-I797 WeakPolarHBondContact O-CA 3.36Å; I797-W799 HydrophobicContact CB-CH2 3.98Å; I797-W799 HydrophobicContact CB-CZ3 4.01Å; I797-W799 HydrophobicContact CG2-CE3 4.26Å; I797-W799 HydrophobicContact CG2-CH2 3.26Å; I797-W799 HydrophobicContact CG2-CZ2 3.76Å; I797-W799 HydrophobicContact CG2-CZ3 3.54Å; I797-W799 WeakPolarHBondContact O-CZ3 3.1Å; I797-A832 HydrophobicContact CG1-CB 4.25Å; I797-A832 HydrophobicContact CG2-CB 3.73Å
798	I	98.2	Very high	95.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-127	152.9	-175.9	67.6	-179.4	0	0	0	112.2	P649 M650 W714 I716 Y793 K796 F800 F817	P649-I798 HydrophobicContact CB-CB 3.82Å; P649-I798 HydrophobicContact CB-CD1 4.01Å; P649-I798 HydrophobicContact CB-CG1 4.35Å; P649-I798 HydrophobicContact CB-CG2 4.12Å; P649-I798 HydrophobicContact CG-CD1 4.15Å; M650-I798 CarbonylContact O-C 3.6Å; M650-I798 WeakPolarHBondContact O-CA 3.16Å; W714-I798 HydrophobicContact CB-CD1 4.49Å; W714-I798 HydrophobicContact CB-CG1 3.83Å; W714-I798 PolarHBondContact N-O 2.85Å; W714-I798 PolarHBondContact O-N 3.5Å; I716-I798 HydrophobicContact CD1-CD1 4.15Å; Y793-I798 HydrophobicContact CD1-CG2 3.41Å; Y793-I798 VanDerWaalsContact CD1-CG2 3.41Å; Y793-I798 HydrophobicContact CE1-CG2 4.11Å; Y793-I798 HydrophobicContact CG-CG2 4.12Å; K796-I798 HydrophobicContact CB-CG2 4.42Å; I798-F800 HydrophobicContact CD1-CE1 4.5Å; I798-F800 HydrophobicContact CD1-CE2 4.39Å; I798-F800 HydrophobicContact CD1-CZ 3.81Å; I798-F800 HydrophobicContact CG1-CZ 4.4Å; I798-F817 HydrophobicContact CD1-CE1 3.85Å
799	W	98.1	Very high	95.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-127.3	152.1	174.5	-69.7	-98.7	0	0	0	111.1	I361 F362 M650 L651 C652 P653 P654 S711 P713 I797	I361-W799 HydrophobicContact CG1-CH2 4.47Å; I361-W799 HydrophobicContact CG1-CZ2 4.16Å; I361-W799 HydrophobicContact CG2-CZ2 4.4Å; F362-W799 HydrophobicContact CE1-CH2 4.12Å; F362-W799 HydrophobicContact CE2-CH2 4.1Å; F362-W799 HydrophobicContact CE2-CZ2 4.31Å; F362-W799 AromaticContact CZ-CH2 3.47Å; F362-W799 HydrophobicContact CZ-CH2 3.47Å; F362-W799 VanDerWaalsContact CZ-CH2 3.47Å; F362-W799 HydrophobicContact CZ-CZ2 4.11Å; F362-W799 HydrophobicContact CZ-CZ3 4.23Å; M650-W799 HydrophobicContact CB-CB 4.32Å; M650-W799 PolarHBondContact N-O 3.37Å; M650-W799 PolarHBondContact O-N 2.98Å; L651-W799 WeakPolarHBondContact O-CZ3 3.31Å; C652-W799 VanDerWaalsContact C-CE3 3.4Å; P653-W799 HydrophobicContact CG-CH2 4.45Å; P653-W799 HydrophobicContact CG-CZ2 3.84Å; P654-W799 HydrophobicContact CG-CB 3.92Å; S711-W799 PolarHBondContact O-NE1 3.32Å; P713-W799 HydrophobicContact CB-CZ2 3.68Å; I797-W799 HydrophobicContact CB-CH2 3.98Å; I797-W799 HydrophobicContact CB-CZ3 4.01Å; I797-W799 HydrophobicContact CG2-CE3 4.26Å; I797-W799 HydrophobicContact CG2-CH2 3.26Å; I797-W799 HydrophobicContact CG2-CZ2 3.76Å; I797-W799 HydrophobicContact CG2-CZ3 3.54Å; I797-W799 WeakPolarHBondContact O-CZ3 3.1Å
800	F	97	Very high	95.5	Very high	1 Å²	1	28 Å²	28	0%	0.004	13%	0.132	C	C	.	.			trans	-113.6	108.2	174.5	-61.5	-64.8	0	0	0	109.2	P649 A710 W714 I798 H802 P812 P814 F817 N818 I829	P649-F800 HydrophobicContact CB-CD1 4.45Å; P649-F800 HydrophobicContact CB-CE1 3.94Å; P649-F800 HydrophobicContact CG-CE1 3.88Å; A710-F800 WeakPolarHBondContact CA-O 3.47Å; W714-F800 HydrophobicContact CB-CE2 4.31Å; W714-F800 AromaticContact CD1-CD2 3.5Å; W714-F800 AromaticContact CD1-CE2 3.67Å; W714-F800 HydrophobicContact CD2-CE2 4.49Å; W714-F800 HydrophobicContact CG-CD2 4.18Å; W714-F800 AromaticContact CG-CE2 3.9Å; W714-F800 HydrophobicContact CG-CE2 3.9Å; W714-F800 AromaticContact NE1-CD2 3.65Å; I798-F800 HydrophobicContact CD1-CE1 4.5Å; I798-F800 HydrophobicContact CD1-CE2 4.39Å; I798-F800 HydrophobicContact CD1-CZ 3.81Å; I798-F800 HydrophobicContact CG1-CZ 4.4Å; F800-H802 PolarHBondContact O-CE1 3.09Å; F800-H802 PolarHBondContact O-ND1 3.02Å; F800-P812 HydrophobicContact CB-CB 3.99Å; F800-P812 HydrophobicContact CB-CG 4.43Å; F800-P812 HydrophobicContact CG-CB 4.31Å; F800-P814 HydrophobicContact CD1-CB 4.42Å; F800-P814 HydrophobicContact CD1-CG 4.02Å; F800-F817 VanDerWaalsContact CE1-O 3.26Å; F800-F817 WeakPolarHBondContact CE1-O 3.32Å; F800-F817 HydrophobicContact CZ-CD1 4.47Å; F800-F817 HydrophobicContact CZ-CE1 4.45Å; F800-N818 HydrophobicContact CD1-CB 4.19Å; F800-N818 HydrophobicContact CE1-CB 4.05Å; F800-N818 HydrophobicContact CZ-CB 4.33Å; F800-I829 HydrophobicContact CE2-CD1 4.33Å; F800-I829 HydrophobicContact CZ-CD1 4.14Å
801	P	95.3	Very high	95.4	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	14%	0.137	C	C	.	.			trans	-60.6	142.1	166.6	23.2	-28.7	0	0	0	109	M650 P654 Y665 C813	M650-P801 HydrophobicContact CG-CG 4.24Å; M650-P801 HydrophobicContact SD-CB 4.24Å; M650-P801 HydrophobicContact SD-CG 3.82Å; P654-P801 HydrophobicContact CB-CB 4.18Å; P654-P801 HydrophobicContact CG-CB 4.3Å; Y665-P801 HydrophobicContact CD2-CG 4.2Å; Y665-P801 HydrophobicContact CE1-CG 4.03Å; Y665-P801 HydrophobicContact CE2-CB 4.49Å; Y665-P801 HydrophobicContact CE2-CG 3.58Å; Y665-P801 VanDerWaalsContact CZ-CG 3.45Å; P801-C813 HydrophobicContact CG-CB 4.18Å; P801-C813 WeakPolarHBondContact O-CB 2.82Å; P801-C813 PolarHBondContact O-N 3.01Å; P801-C813 PolarHBondContact O-SG 3.26Å
802	H	95	Very high	95.2	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.028	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	148.8	-177.4	-75.6	77	0	0	0	112.1	W657 L709 A710 F800 V810 Y811 H819	W657-H802 PolarHBondContact NE1-O 2.86Å; L709-H802 PolarHBondContact O-CE1 3.5Å; A710-H802 WeakPolarHBondContact CA-ND1 3.35Å; A710-H802 HydrophobicContact CB-CB 4.26Å; F800-H802 PolarHBondContact O-CE1 3.09Å; F800-H802 PolarHBondContact O-ND1 3.02Å; H802-V810 HydrophobicContact CB-CG1 3.86Å; H802-Y811 VanDerWaalsContact CA-O 3.32Å; H802-Y811 WeakPolarHBondContact CA-O 3.48Å; H802-H819 AromaticContact NE2-CE1 3.73Å
803	S	93.1	Very high	95	Very high	6 Å²	6	25 Å²	25	4%	0.042	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	167.4	167.5	45.1	0	0	0	0	108.6	R674 R677 Y811 C813	R674-S803 WeakPolarHBondContact O-CB 3.45Å; R677-S803 PolarHBondContact NE-OG 3.4Å; R677-S803 PolarHBondContact NH2-OG 3.01Å; R677-S803 VanDerWaalsContact NH2-OG 3.13Å; S803-Y811 PolarHBondContact N-O 2.83Å; S803-Y811 PolarHBondContact O-N 2.93Å; S803-Y811 VanDerWaalsContact O-O 3.12Å; S803-C813 PolarHBondContact OG-SG 3.38Å
804	M	93.7	Very high	94.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	159.4	-178.6	65.2	-173.8	177.3	0	0	112.7	L675 I676 R677 V702 L706 R809 V810 L1082 M1156	L675-M804 HydrophobicContact CD1-CE 4.02Å; L675-M804 HydrophobicContact CD2-CE 3.93Å; L675-M804 HydrophobicContact CG-CE 3.81Å; L675-M804 WeakPolarHBondContact O-CG 3.41Å; L675-M804 PolarHBondContact O-N 3.39Å; I676-M804 CarbonylContact C-O 3.58Å; I676-M804 VanDerWaalsContact CA-O 3.24Å; I676-M804 WeakPolarHBondContact CA-O 3.4Å; I676-M804 HydrophobicContact CD1-CE 3.54Å; I676-M804 HydrophobicContact CD1-CG 3.84Å; I676-M804 HydrophobicContact CD1-SD 4.42Å; R677-M804 WeakPolarHBondContact CG-O 3.27Å; R677-M804 PolarHBondContact N-O 2.76Å; V702-M804 HydrophobicContact CG1-CE 3.69Å; V702-M804 HydrophobicContact CG1-SD 3.9Å; L706-M804 HydrophobicContact CD1-SD 3.88Å; L706-M804 HydrophobicContact CD2-CB 4.44Å; L706-M804 HydrophobicContact CD2-CG 4.31Å; L706-M804 HydrophobicContact CD2-SD 4.33Å; M804-R809 CarbonylContact C-O 3.56Å; M804-R809 WeakPolarHBondContact CA-O 3.46Å; M804-R809 WeakPolarHBondContact CB-O 3.24Å; M804-V810 HydrophobicContact CB-CG2 4.02Å; M804-L1082 HydrophobicContact CE-CD1 3.56Å; M804-L1082 HydrophobicContact CE-CD2 4.02Å; M804-L1082 HydrophobicContact CE-CG 4.46Å; M804-L1082 HydrophobicContact SD-CD2 4.18Å; M804-M1156 HydrophobicContact SD-CE 3.93Å
805	D	91.4	Very high	94.5	Very high	14 Å²	14	26.4 Å²	26.4	8%	0.075	13%	0.134	C	C	.	.			trans	-78.8	177.6	167	74.1	12.9	0	0	0	111.9	R807 G808 R809 Y811	D805-R807 PolarHBondContact O-N 3.3Å; D805-R807 WeakPolarHBondContact OD1-CA 3.31Å; D805-R807 WeakPolarHBondContact OD1-CB 3Å; D805-R807 PolarHBondContact OD1-N 2.65Å; D805-R807 IonicContact OD1-NE 3.85Å; D805-R807 IonicContact OD2-CZ 2.71Å; D805-R807 VanDerWaalsContact OD2-CZ 3.29Å; D805-R807 IonicContact OD2-NE 3.33Å; D805-R807 PolarHBondContact OD2-NE 3.39Å; D805-R807 IonicContact OD2-NH2 3.1Å; D805-R807 PolarHBondContact OD2-NH2 3.5Å; D805-G808 PolarHBondContact O-N 3.2Å; D805-G808 PolarHBondContact OD1-N 2.72Å; D805-G808 VanDerWaalsContact OD1-N 3.17Å; D805-R809 PolarHBondContact N-O 2.99Å; D805-R809 PolarHBondContact OD1-N 2.63Å; D805-Y811 HydrophobicContact CB-CE2 4.19Å
806	F	91.3	Very high	94.3	Very high	31 Å²	31	23 Å²	23	14%	0.136	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-14.1	-177.8	72	-87	0	0	0	114.3	I676 V1084 I1085 P1087 N1145	I676-F806 HydrophobicContact CG2-CB 4.06Å; F806-V1084 HydrophobicContact CD2-CG1 4.16Å; F806-V1084 VanDerWaalsContact O-CG1 3.3Å; F806-V1084 WeakPolarHBondContact O-CG1 3.4Å; F806-I1085 VanDerWaalsContact CD2-O 3.27Å; F806-I1085 WeakPolarHBondContact CD2-O 3.44Å; F806-P1087 HydrophobicContact CD1-CG 3.93Å; F806-P1087 HydrophobicContact CE1-CG 3.64Å; F806-P1087 HydrophobicContact CE2-CG 4.3Å; F806-P1087 HydrophobicContact CG-CG 4.4Å; F806-P1087 HydrophobicContact CZ-CG 3.84Å; F806-N1145 HydrophobicContact CE2-CB 4.45Å
807	R	91.9	Very high	94.3	Very high	42 Å²	42	19 Å²	19	16%	0.158	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-4.9	-179.9	-54.8	164.3	-66.5	-177.7	3	111.5	D805 N1145 H1148 S1149	D805-R807 PolarHBondContact O-N 3.3Å; D805-R807 WeakPolarHBondContact OD1-CA 3.31Å; D805-R807 WeakPolarHBondContact OD1-CB 3Å; D805-R807 PolarHBondContact OD1-N 2.65Å; D805-R807 IonicContact OD1-NE 3.85Å; D805-R807 IonicContact OD2-CZ 2.71Å; D805-R807 VanDerWaalsContact OD2-CZ 3.29Å; D805-R807 IonicContact OD2-NE 3.33Å; D805-R807 PolarHBondContact OD2-NE 3.39Å; D805-R807 IonicContact OD2-NH2 3.1Å; D805-R807 PolarHBondContact OD2-NH2 3.5Å; R807-N1145 WeakPolarHBondContact CD-OD1 3.48Å; R807-N1145 HydrophobicContact CG-CB 4.14Å; R807-N1145 PolarHBondContact NH1-OD1 3.41Å; R807-N1145 VanDerWaalsContact NH1-OD1 3.12Å; R807-H1148 HydrophobicContact CB-CB 4.46Å; R807-S1149 VanDerWaalsContact O-CA 3.25Å; R807-S1149 WeakPolarHBondContact O-CA 3.5Å; R807-S1149 WeakPolarHBondContact O-CB 3.44Å
808	G	94.2	Very high	94.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.087	C	C	.	.			trans	93	8.6	-177	0	0	0	0	0	114.1	D805 V810 S1152 M1156	D805-G808 PolarHBondContact O-N 3.2Å; D805-G808 PolarHBondContact OD1-N 2.72Å; D805-G808 VanDerWaalsContact OD1-N 3.17Å; G808-V810 PolarHBondContact O-N 3.48Å; G808-S1152 VanDerWaalsContact O-CB 3.28Å; G808-S1152 WeakPolarHBondContact O-CB 3.4Å; G808-S1152 PolarHBondContact O-OG 3.33Å; G808-M1156 VanDerWaalsContact O-CE 3.32Å; G808-M1156 WeakPolarHBondContact O-CE 3.36Å
809	R	93.6	Very high	94	Very high	38 Å²	38	17.2 Å²	17.2	14%	0.143	9%	0.088	C	C	.	.			trans	-72.2	123.6	176.7	-178.2	164.3	170.3	149.1	13.4	109.4	M804 D805 Y811 S1152 H1173	M804-R809 CarbonylContact C-O 3.56Å; M804-R809 WeakPolarHBondContact CA-O 3.46Å; M804-R809 WeakPolarHBondContact CB-O 3.24Å; D805-R809 PolarHBondContact N-O 2.99Å; D805-R809 PolarHBondContact OD1-N 2.63Å; R809-Y811 HydrophobicContact CB-CE2 4Å; R809-Y811 WeakPolarHBondContact CD-OH 3.49Å; R809-Y811 HydrophobicContact CG-CD2 4.5Å; R809-Y811 HydrophobicContact CG-CE1 3.99Å; R809-Y811 HydrophobicContact CG-CE2 3.74Å; R809-Y811 VanDerWaalsContact CG-CZ 3.47Å; R809-Y811 WeakPolarHBondContact CG-OH 3.35Å; R809-Y811 PolarHBondContact NE-OH 3.33Å; R809-Y811 VanDerWaalsContact O-CD2 3.25Å; R809-Y811 WeakPolarHBondContact O-CD2 3.35Å; R809-Y811 WeakPolarHBondContact O-CE2 3.25Å; R809-S1152 WeakPolarHBondContact CA-OG 3.38Å; R809-S1152 PolarHBondContact N-OG 2.63Å; R809-S1152 VanDerWaalsContact N-OG 3.12Å; R809-H1173 HydrophobicContact CG-CB 4.07Å; R809-H1173 PolarHBondContact NH1-CD2 3.02Å
810	V	95.2	Very high	93.7	Very high	8 Å²	8	19 Å²	19	5%	0.048	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	143.9	-171.8	178.5	0	0	0	0	111.6	L706 L709 H802 M804 G808 M1155 M1156	L706-V810 HydrophobicContact CD1-CG2 3.75Å; L706-V810 HydrophobicContact CG-CG1 4.34Å; L706-V810 HydrophobicContact CG-CG2 4.04Å; L709-V810 HydrophobicContact CD1-CB 4Å; L709-V810 HydrophobicContact CD1-CG1 3.61Å; L709-V810 HydrophobicContact CD1-CG2 4.2Å; H802-V810 HydrophobicContact CB-CG1 3.86Å; M804-V810 HydrophobicContact CB-CG2 4.02Å; G808-V810 PolarHBondContact O-N 3.48Å; V810-M1155 HydrophobicContact CB-CE 3.74Å; V810-M1155 HydrophobicContact CB-SD 4.49Å; V810-M1155 HydrophobicContact CG2-CE 3.43Å; V810-M1155 VanDerWaalsContact CG2-CE 3.43Å; V810-M1156 HydrophobicContact CG2-CE 4.04Å
811	Y	94	Very high	93.3	Very high	23 Å²	23	20.3 Å²	20.3	9%	0.09	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	141.6	-173.9	-62.3	-72.2	0	0	0	112.8	F2 R677 H802 S803 D805 R809 C813	F2-Y811 HydrophobicContact CD2-CE1 4.39Å; F2-Y811 HydrophobicContact CE2-CD1 4.09Å; F2-Y811 AromaticContact CE2-CE1 3.38Å; F2-Y811 HydrophobicContact CE2-CE1 3.38Å; F2-Y811 AromaticContact CE2-CZ 3.76Å; F2-Y811 HydrophobicContact CZ-CD1 4.36Å; F2-Y811 AromaticContact CZ-CE1 3.97Å; F2-Y811 HydrophobicContact CZ-CE1 3.97Å; R677-Y811 VanDerWaalsContact NH2-C 3.31Å; R677-Y811 PolarHBondContact NH2-O 3.29Å; H802-Y811 VanDerWaalsContact CA-O 3.32Å; H802-Y811 WeakPolarHBondContact CA-O 3.48Å; S803-Y811 PolarHBondContact N-O 2.83Å; S803-Y811 PolarHBondContact O-N 2.93Å; S803-Y811 VanDerWaalsContact O-O 3.12Å; D805-Y811 HydrophobicContact CB-CE2 4.19Å; R809-Y811 HydrophobicContact CB-CE2 4Å; R809-Y811 WeakPolarHBondContact CD-OH 3.49Å; R809-Y811 HydrophobicContact CG-CD2 4.5Å; R809-Y811 HydrophobicContact CG-CE1 3.99Å; R809-Y811 HydrophobicContact CG-CE2 3.74Å; R809-Y811 VanDerWaalsContact CG-CZ 3.47Å; R809-Y811 WeakPolarHBondContact CG-OH 3.35Å; R809-Y811 PolarHBondContact NE-OH 3.33Å; R809-Y811 VanDerWaalsContact O-CD2 3.25Å; R809-Y811 WeakPolarHBondContact O-CD2 3.35Å; R809-Y811 WeakPolarHBondContact O-CE2 3.25Å; Y811-C813 PolarHBondContact O-N 2.73Å
812	P	95.4	Very high	93.2	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	130.6	164.7	-29.8	38.6	0	0	0	112.7	R677 F800 N818 H819 T820	R677-P812 PolarHBondContact NH2-O 2.95Å; F800-P812 HydrophobicContact CB-CB 3.99Å; F800-P812 HydrophobicContact CB-CG 4.43Å; F800-P812 HydrophobicContact CG-CB 4.31Å; P812-N818 HydrophobicContact CB-CB 3.59Å; P812-N818 HydrophobicContact CG-CB 3.86Å; P812-H819 VanDerWaalsContact CG-CE1 3.47Å; P812-H819 WeakPolarHBondContact CG-CE1 3Å; P812-T820 HydrophobicContact CG-CG2 3.84Å
813	C	92.8	Very high	93.3	Very high	21 Å²	21	23.1 Å²	23.1	14%	0.142	13%	0.132	C	C	.	.	S	Bend	trans	-64.1	-42.2	178.8	-64.3	0	0	0	0	113.4	Y665 T673 P801 S803 Y811 P815	Y665-C813 HydrophobicContact CE2-CB 4.37Å; T673-C813 HydrophobicContact CG2-CB 4.41Å; P801-C813 HydrophobicContact CG-CB 4.18Å; P801-C813 WeakPolarHBondContact O-CB 2.82Å; P801-C813 PolarHBondContact O-N 3.01Å; P801-C813 PolarHBondContact O-SG 3.26Å; S803-C813 PolarHBondContact OG-SG 3.38Å; Y811-C813 PolarHBondContact O-N 2.73Å; C813-P815 WeakPolarHBondContact O-CD 3.2Å
814	P	93.3	Very high	93.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.13	C	C	.	.			trans	-59.9	120.7	173.9	-28.9	39.4	0	0	0	112.4	L648 Y665 F800 N818	L648-P814 VanDerWaalsContact O-CG 3.31Å; L648-P814 WeakPolarHBondContact O-CG 3.47Å; Y665-P814 WeakPolarHBondContact OH-CG 3.27Å; F800-P814 HydrophobicContact CD1-CB 4.42Å; F800-P814 HydrophobicContact CD1-CG 4.02Å; P814-N818 PolarHBondContact O-ND2 3.33Å
815	P	90	Very high	93.5	Very high	83 Å²	83	22.9 Å²	22.9	54%	0.539	13%	0.131	S	C	.	.	S	Bend	trans	-86	-24.7	-170.9	32.2	-34.3	0	0	0	114	A647 C813	A647-P815 HydrophobicContact CB-CG 4.41Å; C813-P815 WeakPolarHBondContact O-CD 3.2Å
816	H	92.4	Very high	93.8	Very high	63 Å²	63	25.2 Å²	25.2	29%	0.292	14%	0.138	S	C	.	.	S	Bend	trans	-92.5	-30.7	-168.8	-57.7	-56.3	0	0	0	113.9	F643 Y785 I789	F643-H816 AromaticContact CD1-CD2 3.63Å; F643-H816 AromaticContact CD1-NE2 3.89Å; F643-H816 AromaticContact CE1-CD2 3.57Å; F643-H816 AromaticContact CE1-NE2 3.88Å; Y785-H816 AromaticContact CD2-ND1 3.83Å; I789-H816 HydrophobicContact CD1-CB 3.57Å
817	F	95.9	Very high	94.1	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.009	13%	0.133	C	C	.	.	S	Bend	trans	-143.9	112.9	-178.7	178.6	-112.6	0	0	0	110	P649 I716 R786 I789 A790 I798 F800 L828 I829	P649-F817 HydrophobicContact CG-CD1 3.95Å; I716-F817 HydrophobicContact CD1-CE1 3.42Å; I716-F817 VanDerWaalsContact CD1-CE1 3.42Å; I716-F817 HydrophobicContact CD1-CZ 3.3Å; R786-F817 HydrophobicContact CG-CD2 3.67Å; R786-F817 HydrophobicContact CG-CE2 4.45Å; I789-F817 HydrophobicContact CB-CB 4.11Å; I789-F817 HydrophobicContact CD1-CB 4.43Å; I789-F817 HydrophobicContact CG2-CB 3.76Å; I789-F817 HydrophobicContact CG2-CD1 3.89Å; I789-F817 HydrophobicContact CG2-CG 4.07Å; A790-F817 HydrophobicContact CB-CD2 4.26Å; A790-F817 HydrophobicContact CB-CE1 4.48Å; A790-F817 HydrophobicContact CB-CE2 3.8Å; A790-F817 HydrophobicContact CB-CZ 3.91Å; I798-F817 HydrophobicContact CD1-CE1 3.85Å; F800-F817 VanDerWaalsContact CE1-O 3.26Å; F800-F817 WeakPolarHBondContact CE1-O 3.32Å; F800-F817 HydrophobicContact CZ-CD1 4.47Å; F800-F817 HydrophobicContact CZ-CE1 4.45Å; F817-L828 HydrophobicContact CE2-CB 4Å; F817-L828 HydrophobicContact CE2-CD1 4.07Å; F817-L828 HydrophobicContact CZ-CB 4.48Å; F817-I829 HydrophobicContact CD2-CD1 4.38Å; F817-I829 HydrophobicContact CE1-CD1 4.11Å; F817-I829 HydrophobicContact CE1-CG1 4.22Å; F817-I829 HydrophobicContact CE2-CD1 3.77Å; F817-I829 HydrophobicContact CE2-CG1 3.79Å; F817-I829 HydrophobicContact CZ-CD1 3.61Å; F817-I829 HydrophobicContact CZ-CG1 3.42Å; F817-I829 VanDerWaalsContact CZ-CG1 3.42Å
818	N	96	Very high	94.4	Very high	17 Å²	17	21.9 Å²	21.9	9%	0.091	13%	0.125	C	C	.	.			trans	-166.2	167.9	176.8	64.6	71.9	0	0	0	110.3	F800 P812 P814 T820	F800-N818 HydrophobicContact CD1-CB 4.19Å; F800-N818 HydrophobicContact CE1-CB 4.05Å; F800-N818 HydrophobicContact CZ-CB 4.33Å; P812-N818 HydrophobicContact CB-CB 3.59Å; P812-N818 HydrophobicContact CG-CB 3.86Å; P814-N818 PolarHBondContact O-ND2 3.33Å; N818-T820 VanDerWaalsContact C-N 3.28Å; N818-T820 PolarHBondContact O-N 2.99Å; N818-T820 WeakPolarHBondContact OD1-CB 3.19Å; N818-T820 PolarHBondContact OD1-N 3.02Å; N818-T820 PolarHBondContact OD1-OG1 2.8Å
819	H	94.6	Very high	94.5	Very high	2 Å²	2	22 Å²	22	1%	0.009	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-9.7	-173.9	68.8	-70	0	0	0	115	W714 H802 P812 G821 R826 I829 S1171 W1177	W714-H819 HydrophobicContact CH2-CB 4.21Å; W714-H819 HydrophobicContact CZ2-CB 4.38Å; W714-H819 AromaticContact CZ2-CD2 3.98Å; W714-H819 AromaticContact CZ2-CG 3.88Å; H802-H819 AromaticContact NE2-CE1 3.73Å; P812-H819 VanDerWaalsContact CG-CE1 3.47Å; P812-H819 WeakPolarHBondContact CG-CE1 3Å; H819-G821 VanDerWaalsContact C-N 3.32Å; H819-G821 PolarHBondContact O-N 3.18Å; H819-R826 WeakPolarHBondContact O-CG 3.48Å; H819-I829 HydrophobicContact CB-CD1 4.22Å; H819-I829 HydrophobicContact CB-CG2 4.4Å; H819-S1171 PolarHBondContact NE2-O 3.22Å; H819-S1171 VanDerWaalsContact NE2-O 3.11Å; H819-W1177 HydrophobicContact CB-CH2 4.21Å; H819-W1177 HydrophobicContact CB-CZ3 3.95Å; H819-W1177 AromaticContact CD2-CZ3 3.92Å; H819-W1177 WeakPolarHBondContact O-CH2 3.24Å
820	T	92.3	Very high	94.8	Very high	36 Å²	36	20.8 Å²	20.8	22%	0.221	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	0.5	-178	69.3	0	0	0	0	114.1	P812 N818 V1172	P812-T820 HydrophobicContact CG-CG2 3.84Å; N818-T820 VanDerWaalsContact C-N 3.28Å; N818-T820 PolarHBondContact O-N 2.99Å; N818-T820 WeakPolarHBondContact OD1-CB 3.19Å; N818-T820 PolarHBondContact OD1-N 3.02Å; N818-T820 PolarHBondContact OD1-OG1 2.8Å; T820-V1172 HydrophobicContact CG2-CG1 4.34Å; T820-V1172 HydrophobicContact CG2-CG2 4.22Å
821	G	88.7	Confident	94.9	Very high	30 Å²	30	20.5 Å²	20.5	31%	0.309	12%	0.121	S	C	.	.	S	Bend	trans	-75.5	-159.7	-176.2	0	0	0	0	0	115.2	H819 R826	H819-G821 VanDerWaalsContact C-N 3.32Å; H819-G821 PolarHBondContact O-N 3.18Å; G821-R826 PolarHBondContact O-NE 3.17Å; G821-R826 VanDerWaalsContact O-NE 3.1Å
822	S	92.4	Very high	95.1	Very high	54 Å²	54	20 Å²	20	38%	0.378	12%	0.122	S	C	.	.			trans	-68.8	177.4	176.9	55.9	0	0	0	0	112.7	R786 V824 A825 R826	R786-S822 PolarHBondContact NH1-OG 3.13Å; S822-V824 VanDerWaalsContact C-N 3.25Å; S822-V824 PolarHBondContact O-N 3.12Å; S822-A825 WeakPolarHBondContact O-CA 3.49Å; S822-A825 WeakPolarHBondContact O-CB 3.42Å; S822-A825 PolarHBondContact O-N 3Å; S822-R826 WeakPolarHBondContact O-CG 3.45Å; S822-R826 PolarHBondContact O-N 2.97Å
823	D	96	Very high	95.1	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.059	13%	0.133	C	C	.	.	H	α-helix	trans	-42.3	-50.5	172.4	-175.8	41.1	0	0	0	113	A825 R826 S827 E894 P895 W896 Q897	D823-A825 VanDerWaalsContact C-N 3.34Å; D823-A825 PolarHBondContact O-N 3.33Å; D823-R826 PolarHBondContact O-N 3.07Å; D823-S827 WeakPolarHBondContact O-CB 3.39Å; D823-S827 PolarHBondContact O-N 3.02Å; D823-S827 PolarHBondContact O-OG 3.29Å; D823-E894 WeakPolarHBondContact CB-OE2 3.43Å; D823-P895 VanDerWaalsContact OD2-CD 3.28Å; D823-P895 WeakPolarHBondContact OD2-CD 3.26Å; D823-W896 WeakPolarHBondContact OD2-CB 3.3Å; D823-W896 PolarHBondContact OD2-N 2.65Å; D823-Q897 WeakPolarHBondContact OD1-CB 3.28Å; D823-Q897 WeakPolarHBondContact OD1-CG 3.47Å; D823-Q897 PolarHBondContact OD1-N 3.46Å; D823-Q897 PolarHBondContact OD1-NE2 2.88Å
824	V	96.6	Very high	95.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-56.9	-43	175.7	173.5	0	0	0	0	112.4	L724 I738 S822 S827 L828 W896	L724-V824 HydrophobicContact CD1-CG1 3.94Å; L724-V824 HydrophobicContact CD2-CG1 3.83Å; L724-V824 HydrophobicContact CD2-CG2 4.08Å; I738-V824 HydrophobicContact CD1-CG2 4.06Å; S822-V824 VanDerWaalsContact C-N 3.25Å; S822-V824 PolarHBondContact O-N 3.12Å; V824-S827 PolarHBondContact O-OG 3.38Å; V824-L828 HydrophobicContact CG1-CD1 4.12Å; V824-L828 WeakPolarHBondContact O-CB 3.47Å; V824-L828 WeakPolarHBondContact O-CD1 3.37Å; V824-L828 WeakPolarHBondContact O-CG 3.34Å; V824-L828 PolarHBondContact O-N 3Å; V824-W896 HydrophobicContact CG2-CG 4.39Å
825	A	95.8	Very high	95.5	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.017	15%	0.149	C	C	.	.	H	α-helix	trans	-71.4	-37.4	-178.9	0	0	0	0	0	112	S822 D823	S822-A825 WeakPolarHBondContact O-CA 3.49Å; S822-A825 WeakPolarHBondContact O-CB 3.42Å; S822-A825 PolarHBondContact O-N 3Å; D823-A825 VanDerWaalsContact C-N 3.34Å; D823-A825 PolarHBondContact O-N 3.33Å
826	R	96.5	Very high	95.9	Very high	62 Å²	62	24.3 Å²	24.3	23%	0.234	14%	0.143	C	C	.	.	H	α-helix	trans	-71.7	-38.6	179.6	-64.1	-176.7	-176.5	-163	-3.8	112	H819 G821 S822 D823 L828 I829 Q897 W1177	H819-R826 WeakPolarHBondContact O-CG 3.48Å; G821-R826 PolarHBondContact O-NE 3.17Å; G821-R826 VanDerWaalsContact O-NE 3.1Å; S822-R826 WeakPolarHBondContact O-CG 3.45Å; S822-R826 PolarHBondContact O-N 2.97Å; D823-R826 PolarHBondContact O-N 3.07Å; R826-L828 VanDerWaalsContact C-N 3.29Å; R826-L828 PolarHBondContact O-N 3.28Å; R826-I829 PolarHBondContact O-N 3.42Å; R826-Q897 HydrophobicContact CB-CG 3.95Å; R826-W1177 HydrophobicContact CB-CH2 4.42Å; R826-W1177 HydrophobicContact CG-CH2 4.03Å; R826-W1177 HydrophobicContact CG-CZ2 4.45Å
827	S	97.8	Very high	96.2	Very high	4 Å²	4	21.4 Å²	21.4	3%	0.028	13%	0.129	C	C	.	.	H	α-helix	trans	-69.4	-25.7	178.2	67.3	0	0	0	0	113.7	N717 D823 V824 I829 W896	N717-S827 WeakPolarHBondContact CB-O 3.5Å; N717-S827 PolarHBondContact ND2-O 2.84Å; D823-S827 WeakPolarHBondContact O-CB 3.39Å; D823-S827 PolarHBondContact O-N 3.02Å; D823-S827 PolarHBondContact O-OG 3.29Å; V824-S827 PolarHBondContact O-OG 3.38Å; S827-I829 VanDerWaalsContact C-N 3.35Å; S827-W896 WeakPolarHBondContact CB-O 3.05Å; S827-W896 WeakPolarHBondContact OG-CB 3.36Å
828	L	98.2	Very high	96.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-14.3	-179.8	-82	172.5	0	0	0	114.6	I716 N717 I720 L721 L724 R786 L787 A790 F817 V824 R826	I716-L828 WeakPolarHBondContact CA-O 3.49Å; N717-L828 PolarHBondContact N-O 3.41Å; I720-L828 HydrophobicContact CG2-CD2 4.42Å; L721-L828 HydrophobicContact CB-CD2 3.59Å; L721-L828 HydrophobicContact CD1-CD2 3.74Å; L721-L828 HydrophobicContact CG-CD2 4.21Å; L724-L828 HydrophobicContact CD1-CD1 3.95Å; L724-L828 HydrophobicContact CD1-CD2 3.53Å; L724-L828 HydrophobicContact CD1-CG 3.6Å; R786-L828 HydrophobicContact CG-CD1 4.28Å; L787-L828 HydrophobicContact CD2-CD1 4.23Å; A790-L828 HydrophobicContact CB-CD1 4.39Å; F817-L828 HydrophobicContact CE2-CB 4Å; F817-L828 HydrophobicContact CE2-CD1 4.07Å; F817-L828 HydrophobicContact CZ-CB 4.48Å; V824-L828 HydrophobicContact CG1-CD1 4.12Å; V824-L828 WeakPolarHBondContact O-CB 3.47Å; V824-L828 WeakPolarHBondContact O-CD1 3.37Å; V824-L828 WeakPolarHBondContact O-CG 3.34Å; V824-L828 PolarHBondContact O-N 3Å; R826-L828 VanDerWaalsContact C-N 3.29Å; R826-L828 PolarHBondContact O-N 3.28Å
829	I	97.8	Very high	96.4	Very high	1 Å²	1	26 Å²	26	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.6	-167.4	-58.5	173.3	0	0	0	109.7	W714 F800 F817 H819 R826 S827	W714-I829 HydrophobicContact CB-CG2 3.83Å; W714-I829 HydrophobicContact CD2-CG2 3.72Å; W714-I829 HydrophobicContact CE3-CG2 3.35Å; W714-I829 HydrophobicContact CG-CG2 3.97Å; W714-I829 HydrophobicContact CZ3-CG2 4.06Å; F800-I829 HydrophobicContact CE2-CD1 4.33Å; F800-I829 HydrophobicContact CZ-CD1 4.14Å; F817-I829 HydrophobicContact CD2-CD1 4.38Å; F817-I829 HydrophobicContact CE1-CD1 4.11Å; F817-I829 HydrophobicContact CE1-CG1 4.22Å; F817-I829 HydrophobicContact CE2-CD1 3.77Å; F817-I829 HydrophobicContact CE2-CG1 3.79Å; F817-I829 HydrophobicContact CZ-CD1 3.61Å; F817-I829 HydrophobicContact CZ-CG1 3.42Å; F817-I829 VanDerWaalsContact CZ-CG1 3.42Å; H819-I829 HydrophobicContact CB-CD1 4.22Å; H819-I829 HydrophobicContact CB-CG2 4.4Å; R826-I829 PolarHBondContact O-N 3.42Å; S827-I829 VanDerWaalsContact C-N 3.35Å
830	V	98.4	Very high	96.4	Very high	13 Å²	13	29.5 Å²	29.5	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	163.2	177	-62.4	0	0	0	0	110.4	W714 K715 N717 A832 H921	W714-V830 WeakPolarHBondContact CA-O 3.36Å; K715-V830 HydrophobicContact CD-CG2 4.22Å; K715-V830 HydrophobicContact CG-CG2 3.53Å; K715-V830 PolarHBondContact N-O 3.38Å; K715-V830 PolarHBondContact O-N 3.05Å; N717-V830 HydrophobicContact CB-CG1 4.25Å; V830-A832 PolarHBondContact O-N 3.08Å; V830-H921 HydrophobicContact CB-CB 4.37Å; V830-H921 HydrophobicContact CG2-CB 4.3Å
831	F	98.5	Very high	96.7	Very high	3 Å²	3	27.8 Å²	27.8	1%	0.013	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	134.5	177.6	-64.7	-51.3	0	0	0	110.6	C712 W714 K833 H921 P923 V1168 A1170 W1177 H1179	C712-F831 VanDerWaalsContact SG-CE1 3.58Å; W714-F831 AromaticContact CE3-CD1 3.94Å; W714-F831 HydrophobicContact CE3-CD1 3.94Å; W714-F831 HydrophobicContact CE3-CE1 4.32Å; W714-F831 HydrophobicContact CH2-CD1 4.08Å; W714-F831 AromaticContact CH2-CE1 3.61Å; W714-F831 HydrophobicContact CH2-CE1 3.61Å; W714-F831 HydrophobicContact CZ2-CE1 4.29Å; W714-F831 AromaticContact CZ3-CD1 3.66Å; W714-F831 HydrophobicContact CZ3-CD1 3.66Å; W714-F831 AromaticContact CZ3-CE1 3.62Å; W714-F831 HydrophobicContact CZ3-CE1 3.62Å; F831-K833 WeakPolarHBondContact CB-O 3.23Å; F831-H921 WeakPolarHBondContact CB-O 3.45Å; F831-H921 PolarHBondContact N-O 3.4Å; F831-H921 WeakPolarHBondContact O-CB 3.46Å; F831-H921 PolarHBondContact O-ND1 3.22Å; F831-P923 HydrophobicContact CD2-CB 4.24Å; F831-P923 HydrophobicContact CE2-CB 3.7Å; F831-P923 HydrophobicContact CZ-CB 3.87Å; F831-V1168 HydrophobicContact CD1-CG1 3.97Å; F831-V1168 HydrophobicContact CD2-CG1 4.43Å; F831-V1168 HydrophobicContact CE1-CG1 3.7Å; F831-V1168 HydrophobicContact CE2-CG1 4.16Å; F831-V1168 HydrophobicContact CG-CG1 4.34Å; F831-V1168 HydrophobicContact CZ-CG1 3.79Å; F831-A1170 HydrophobicContact CE1-CB 4.15Å; F831-W1177 HydrophobicContact CZ-CB 4.44Å; F831-H1179 AromaticContact CD2-CE1 3.5Å; F831-H1179 VanDerWaalsContact CD2-CE1 3.5Å; F831-H1179 WeakPolarHBondContact CD2-CE1 3.41Å; F831-H1179 AromaticContact CD2-ND1 3.8Å; F831-H1179 AromaticContact CD2-NE2 3.89Å
832	A	97.9	Very high	97.2	Very high	13 Å²	13	27.6 Å²	27.6	11%	0.107	16%	0.164	C	C	.	.	S	Bend	trans	-69	-39.7	176.2	0	0	0	0	0	111.4	I361 P713 K715 I797 V830 H921	I361-A832 HydrophobicContact CD1-CB 3.74Å; P713-A832 HydrophobicContact CB-CB 3.89Å; P713-A832 HydrophobicContact CG-CB 4.27Å; P713-A832 WeakPolarHBondContact O-CB 3.44Å; P713-A832 PolarHBondContact O-N 3.08Å; K715-A832 HydrophobicContact CB-CB 4.35Å; I797-A832 HydrophobicContact CG1-CB 4.25Å; I797-A832 HydrophobicContact CG2-CB 3.73Å; V830-A832 PolarHBondContact O-N 3.08Å; A832-H921 PolarHBondContact O-CE1 3.03Å; A832-H921 PolarHBondContact O-ND1 3.17Å
833	K	96	Very high	97.4	Very high	58 Å²	58	28 Å²	28	25%	0.252	16%	0.162	S	C	.	.	S	Bend	trans	-86.5	125.9	172.3	-176.4	165.7	173.4	177.2	0	109.2	P357 A359 I361 F831 H1179	P357-K833 WeakPolarHBondContact O-CD 2.92Å; P357-K833 WeakPolarHBondContact O-CE 3.4Å; P357-K833 PolarHBondContact O-NZ 3.21Å; A359-K833 WeakPolarHBondContact O-CE 3.34Å; A359-K833 PolarHBondContact O-NZ 3.25Å; I361-K833 HydrophobicContact CD1-CB 4.35Å; F831-K833 WeakPolarHBondContact CB-O 3.23Å; K833-H1179 PolarHBondContact O-CE1 3.34Å; K833-H1179 PolarHBondContact O-NE2 2.78Å
834	G	96.9	Very high	97.5	Very high	18 Å²	18	28.5 Å²	28.5	19%	0.186	16%	0.163	C	C	.	.			trans	-95.7	165.4	176.3	0	0	0	0	0	111.9	S920 H921	G834-S920 CarbonylContact C-O 3.57Å; G834-S920 VanDerWaalsContact CA-O 3.23Å; G834-S920 WeakPolarHBondContact CA-O 3.46Å; G834-H921 VanDerWaalsContact CA-CE1 3.49Å; G834-H921 WeakPolarHBondContact CA-CE1 3.37Å; G834-H921 PolarHBondContact N-CE1 2.79Å; G834-H921 PolarHBondContact N-ND1 2.81Å
835	L	97.3	Very high	97.6	Very high	58 Å²	58	28.5 Å²	28.5	30%	0.304	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	136.3	175.7	-171.4	68.4	0	0	0	109.5	S920 H1179 A1181 T1182	L835-S920 PolarHBondContact N-O 2.84Å; L835-S920 PolarHBondContact O-N 2.57Å; L835-H1179 HydrophobicContact CB-CB 4.1Å; L835-H1179 HydrophobicContact CD2-CB 3.85Å; L835-A1181 HydrophobicContact CD2-CB 3.92Å; L835-A1181 HydrophobicContact CG-CB 4.43Å; L835-T1182 HydrophobicContact CD2-CG2 3.93Å
836	P	98.3	Very high	97.7	Very high	63 Å²	63	29.4 Å²	29.4	41%	0.409	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	139.9	170.7	-25.4	34.5	0	0	0	111.5	G838 Y918 V919 A1181	P836-G838 PolarHBondContact O-N 3Å; P836-Y918 CarbonylContact C-O 3.57Å; P836-Y918 VanDerWaalsContact CA-O 3.29Å; P836-Y918 WeakPolarHBondContact CA-O 3.5Å; P836-V919 HydrophobicContact CG-CG2 4.21Å; P836-A1181 VanDerWaalsContact O-CB 3.27Å; P836-A1181 WeakPolarHBondContact O-CB 3.4Å
837	L	98.5	Very high	97.7	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	16%	0.157	C	C	.	.			trans	-60.2	-31.9	-178.4	-72.3	-177.7	0	0	0	113	G841 L845 A908 P915 E916 Y918 S920 A1180 A1181	L837-G841 VanDerWaalsContact O-CA 3.23Å; L837-G841 WeakPolarHBondContact O-CA 3.42Å; L837-G841 PolarHBondContact O-N 3.01Å; L837-L845 HydrophobicContact CD1-CD1 3.9Å; L837-L845 HydrophobicContact CD2-CD1 3.8Å; L837-L845 HydrophobicContact CD2-CG 4.26Å; L837-A908 HydrophobicContact CD1-CB 3.64Å; L837-P915 WeakPolarHBondContact CD1-O 3.5Å; L837-E916 PolarHBondContact N-O 3.32Å; L837-Y918 HydrophobicContact CD1-CD1 4.02Å; L837-Y918 HydrophobicContact CG-CD1 4.23Å; L837-Y918 PolarHBondContact N-O 3.33Å; L837-S920 VanDerWaalsContact CD2-CB 3.49Å; L837-A1180 HydrophobicContact CD2-CB 3.79Å; L837-A1181 WeakPolarHBondContact O-CA 3.5Å; L837-A1181 WeakPolarHBondContact O-CB 3.26Å
838	G	97.8	Very high	97.7	Very high	20 Å²	20	26.9 Å²	26.9	21%	0.206	16%	0.157	C	C	.	.	H	α-helix	trans	60.4	-167.2	-172.2	0	0	0	0	0	112.1	P836 N840 E916	P836-G838 PolarHBondContact O-N 3Å; G838-N840 PolarHBondContact O-N 3.28Å; G838-E916 PolarHBondContact N-O 3.26Å; G838-E916 WeakPolarHBondContact O-CG 3.49Å
839	P	97.1	Very high	97.7	Very high	95 Å²	95	26.9 Å²	26.9	62%	0.617	16%	0.157	S	C	*	.	H	α-helix	trans	-66.5	-38.1	-169	24	-33.8	0	0	0	113.6
840	N	96.3	Very high	97.7	Very high	77 Å²	77	26.8 Å²	26.8	41%	0.412	16%	0.157	S	C	.	.	H	α-helix	trans	-99.8	-9.2	-174.2	-59.2	-11.7	0	0	0	113.4	G838 L842 D843 W844 D1184	G838-N840 PolarHBondContact O-N 3.28Å; N840-L842 VanDerWaalsContact C-N 3.33Å; N840-L842 PolarHBondContact O-N 3.16Å; N840-D843 PolarHBondContact O-N 3.35Å; N840-W844 PolarHBondContact O-N 3.18Å; N840-D1184 PolarHBondContact ND2-OD2 3.38Å
841	G	98	Very high	97.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66	-33.5	-170.1	0	0	0	0	0	113.6	L837 W844 L845 A1180	L837-G841 VanDerWaalsContact O-CA 3.23Å; L837-G841 WeakPolarHBondContact O-CA 3.42Å; L837-G841 PolarHBondContact O-N 3.01Å; G841-W844 PolarHBondContact O-N 3.31Å; G841-L845 WeakPolarHBondContact O-CG 3.31Å; G841-L845 PolarHBondContact O-N 2.66Å; G841-L845 VanDerWaalsContact O-N 3.07Å; G841-A1180 WeakPolarHBondContact O-CB 3.46Å
842	L	98.4	Very high	97.3	Very high	25 Å²	25	27.7 Å²	27.7	13%	0.131	16%	0.161	C	C	.	.	H	α-helix	trans	-64	-42.1	177	-176.6	66.7	0	0	0	111.6	N840 L845 K846 L905 A908 L909 P915	N840-L842 VanDerWaalsContact C-N 3.33Å; N840-L842 PolarHBondContact O-N 3.16Å; L842-L845 WeakPolarHBondContact O-CB 3.45Å; L842-L845 PolarHBondContact O-N 3.16Å; L842-K846 WeakPolarHBondContact O-CG 3.48Å; L842-K846 PolarHBondContact O-N 3.1Å; L842-L905 HydrophobicContact CD1-CD2 3.82Å; L842-A908 HydrophobicContact CD1-CB 4.28Å; L842-L909 HydrophobicContact CD1-CD2 4.15Å; L842-L909 HydrophobicContact CD1-CG 4.38Å; L842-L909 HydrophobicContact CD2-CD2 3.94Å; L842-P915 HydrophobicContact CD1-CB 4.3Å; L842-P915 HydrophobicContact CD2-CB 4Å; L842-P915 HydrophobicContact CD2-CG 3.98Å
843	D	98.1	Very high	97.2	Very high	62 Å²	62	27.4 Å²	27.4	33%	0.332	16%	0.158	S	C	.	.	H	α-helix	trans	-65.4	-41	178.8	-71.9	-12.5	0	0	0	111.3	N840 L845 K846 I847 L865	N840-D843 PolarHBondContact O-N 3.35Å; D843-L845 VanDerWaalsContact C-N 3.32Å; D843-L845 PolarHBondContact O-N 3.01Å; D843-K846 WeakPolarHBondContact O-CB 3.49Å; D843-K846 PolarHBondContact O-N 2.99Å; D843-I847 WeakPolarHBondContact O-CG1 3.38Å; D843-I847 PolarHBondContact O-N 3.05Å; D843-L865 HydrophobicContact CB-CD1 4.24Å; D843-L865 HydrophobicContact CB-CD2 3.71Å; D843-L865 WeakPolarHBondContact O-CD2 3.46Å
844	W	97.9	Very high	96.8	Very high	23 Å²	23	26.4 Å²	26.4	9%	0.087	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-35.5	174	-77.7	118.4	0	0	0	113.1	N840 G841 I847 H848 A1180 V1183 D1184 N1187	N840-W844 PolarHBondContact O-N 3.18Å; G841-W844 PolarHBondContact O-N 3.31Å; W844-I847 HydrophobicContact CE3-CB 4.39Å; W844-I847 HydrophobicContact CE3-CD1 4.03Å; W844-I847 HydrophobicContact CE3-CG2 4.33Å; W844-I847 HydrophobicContact CZ3-CD1 4.14Å; W844-I847 HydrophobicContact CZ3-CG2 4.27Å; W844-H848 WeakPolarHBondContact O-CB 3.44Å; W844-H848 PolarHBondContact O-N 3.01Å; W844-A1180 HydrophobicContact CB-CB 4.22Å; W844-V1183 HydrophobicContact CB-CG2 4.29Å; W844-V1183 HydrophobicContact CD2-CB 3.76Å; W844-V1183 HydrophobicContact CD2-CG1 3.45Å; W844-V1183 VanDerWaalsContact CD2-CG1 3.45Å; W844-V1183 HydrophobicContact CD2-CG2 4.34Å; W844-V1183 HydrophobicContact CE3-CB 4.33Å; W844-V1183 HydrophobicContact CE3-CG1 3.58Å; W844-V1183 HydrophobicContact CG-CB 3.81Å; W844-V1183 HydrophobicContact CG-CG1 4.06Å; W844-V1183 HydrophobicContact CG-CG2 4.12Å; W844-V1183 HydrophobicContact CH2-CG1 3.89Å; W844-V1183 HydrophobicContact CZ2-CB 4.49Å; W844-V1183 HydrophobicContact CZ2-CG1 3.77Å; W844-V1183 HydrophobicContact CZ3-CG1 3.79Å; W844-D1184 VanDerWaalsContact CE2-OD1 3.31Å; W844-D1184 WeakPolarHBondContact CZ2-OD1 3.29Å; W844-D1184 PolarHBondContact NE1-OD1 3.2Å; W844-N1187 WeakPolarHBondContact CH2-ND2 3.34Å
845	L	98.3	Very high	96.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65	-42.8	171.9	-71.8	-179.4	0	0	0	112	L837 G841 L842 D843 H848 L849 E904 L905 F922 V924 A1180	L837-L845 HydrophobicContact CD1-CD1 3.9Å; L837-L845 HydrophobicContact CD2-CD1 3.8Å; L837-L845 HydrophobicContact CD2-CG 4.26Å; G841-L845 WeakPolarHBondContact O-CG 3.31Å; G841-L845 PolarHBondContact O-N 2.66Å; G841-L845 VanDerWaalsContact O-N 3.07Å; L842-L845 WeakPolarHBondContact O-CB 3.45Å; L842-L845 PolarHBondContact O-N 3.16Å; D843-L845 VanDerWaalsContact C-N 3.32Å; D843-L845 PolarHBondContact O-N 3.01Å; L845-H848 WeakPolarHBondContact O-CB 3.05Å; L845-H848 PolarHBondContact O-N 3.22Å; L845-L849 PolarHBondContact O-N 3.23Å; L845-E904 HydrophobicContact CD1-CG 4Å; L845-E904 HydrophobicContact CD2-CG 4.38Å; L845-L905 HydrophobicContact CB-CD2 3.6Å; L845-L905 HydrophobicContact CB-CG 4.2Å; L845-L905 HydrophobicContact CD1-CD2 4.27Å; L845-F922 HydrophobicContact CD2-CB 4.46Å; L845-F922 HydrophobicContact CD2-CD1 4.08Å; L845-V924 HydrophobicContact CD2-CG2 3.9Å; L845-A1180 HydrophobicContact CD2-CB 4.15Å; L845-A1180 HydrophobicContact CG-CB 4.07Å
846	K	98.2	Very high	96.2	Very high	20 Å²	20	30.7 Å²	30.7	9%	0.087	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-48.6	176.2	-71.6	177.8	-176.2	-177.8	0	111.7	L842 D843 H848 L849 V850 L865 A868 D869 L905	L842-K846 WeakPolarHBondContact O-CG 3.48Å; L842-K846 PolarHBondContact O-N 3.1Å; D843-K846 WeakPolarHBondContact O-CB 3.49Å; D843-K846 PolarHBondContact O-N 2.99Å; K846-H848 VanDerWaalsContact C-N 3.29Å; K846-H848 PolarHBondContact O-N 3.43Å; K846-L849 PolarHBondContact O-N 3.05Å; K846-V850 WeakPolarHBondContact O-CG2 3.39Å; K846-V850 PolarHBondContact O-N 3.26Å; K846-L865 HydrophobicContact CB-CD2 3.8Å; K846-L865 HydrophobicContact CD-CD2 4Å; K846-A868 HydrophobicContact CB-CB 3.75Å; K846-A868 HydrophobicContact CD-CB 4.31Å; K846-A868 HydrophobicContact CG-CB 4.12Å; K846-D869 VanDerWaalsContact CE-OD1 3.23Å; K846-D869 WeakPolarHBondContact CE-OD1 3.4Å; K846-D869 IonicContact NZ-OD1 2.67Å; K846-D869 PolarHBondContact NZ-OD1 3.5Å; K846-D869 IonicContact NZ-OD2 3.32Å; K846-D869 PolarHBondContact NZ-OD2 3.35Å; K846-L905 HydrophobicContact CG-CD2 4.04Å
847	I	96.8	Very high	95.6	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.036	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-43.5	177	-69.6	163	0	0	0	110.2	D843 W844 V850 N851 H861 L865	D843-I847 WeakPolarHBondContact O-CG1 3.38Å; D843-I847 PolarHBondContact O-N 3.05Å; W844-I847 HydrophobicContact CE3-CB 4.39Å; W844-I847 HydrophobicContact CE3-CD1 4.03Å; W844-I847 HydrophobicContact CE3-CG2 4.33Å; W844-I847 HydrophobicContact CZ3-CD1 4.14Å; W844-I847 HydrophobicContact CZ3-CG2 4.27Å; I847-V850 PolarHBondContact O-N 3.2Å; I847-N851 WeakPolarHBondContact O-CB 3.41Å; I847-N851 VanDerWaalsContact O-CG 3.23Å; I847-N851 PolarHBondContact O-N 3.5Å; I847-H861 HydrophobicContact CD1-CB 4.05Å; I847-L865 HydrophobicContact CD1-CD2 4.13Å; I847-L865 HydrophobicContact CD1-CG 4.24Å; I847-L865 HydrophobicContact CG1-CD2 3.8Å; I847-L865 HydrophobicContact CG1-CG 4.05Å
848	H	97.1	Very high	95.2	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.028	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-47.9	176.8	-176.8	77.7	0	0	0	112	W844 L845 K846 V850 N851 L852 F922 V924 H925	W844-H848 WeakPolarHBondContact O-CB 3.44Å; W844-H848 PolarHBondContact O-N 3.01Å; L845-H848 WeakPolarHBondContact O-CB 3.05Å; L845-H848 PolarHBondContact O-N 3.22Å; K846-H848 VanDerWaalsContact C-N 3.29Å; K846-H848 PolarHBondContact O-N 3.43Å; H848-V850 VanDerWaalsContact C-N 3.35Å; H848-V850 PolarHBondContact O-N 3.49Å; H848-N851 WeakPolarHBondContact O-CB 3.47Å; H848-N851 PolarHBondContact O-N 3.5Å; H848-L852 WeakPolarHBondContact NE2-CD1 3.4Å; H848-L852 WeakPolarHBondContact O-CG 3.44Å; H848-L852 PolarHBondContact O-N 3.49Å; H848-F922 AromaticContact CD2-CE1 3.61Å; H848-F922 AromaticContact NE2-CE1 3.6Å; H848-V924 HydrophobicContact CB-CG1 4.11Å; H848-H925 AromaticContact CE1-CG 3.54Å; H848-H925 AromaticContact CE1-ND1 3.58Å; H848-H925 PolarHBondContact ND1-N 2.99Å
849	L	97.9	Very high	95	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.9	-47.6	175.8	-178.1	143.8	0	0	0	111.6	L845 K846 N851 L852 T853 I871 I875 W888 C901 L905	L845-L849 PolarHBondContact O-N 3.23Å; K846-L849 PolarHBondContact O-N 3.05Å; L849-N851 VanDerWaalsContact C-N 3.31Å; L849-N851 PolarHBondContact O-N 3.05Å; L849-L852 WeakPolarHBondContact O-CB 3.18Å; L849-L852 PolarHBondContact O-N 3.29Å; L849-T853 WeakPolarHBondContact O-CG2 3.35Å; L849-T853 PolarHBondContact O-N 3.12Å; L849-I871 HydrophobicContact CD2-CD1 4.13Å; L849-I875 HydrophobicContact CD1-CD1 4.01Å; L849-I875 HydrophobicContact CD1-CG1 4.04Å; L849-I875 HydrophobicContact CD1-CG2 4.17Å; L849-I875 HydrophobicContact CD2-CD1 3.85Å; L849-I875 HydrophobicContact CD2-CG1 4.22Å; L849-W888 HydrophobicContact CD2-CH2 4.05Å; L849-C901 HydrophobicContact CD1-CB 4.32Å; L849-L905 HydrophobicContact CB-CD1 4.2Å; L849-L905 HydrophobicContact CD1-CD1 3.59Å; L849-L905 HydrophobicContact CG-CD1 4.47Å
850	V	97.1	Very high	94.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.2	-40.5	178.2	173.8	0	0	0	0	111.1	K846 I847 H848 L852 T853 K856 R864 Y867 A868	K846-V850 WeakPolarHBondContact O-CG2 3.39Å; K846-V850 PolarHBondContact O-N 3.26Å; I847-V850 PolarHBondContact O-N 3.2Å; H848-V850 VanDerWaalsContact C-N 3.35Å; H848-V850 PolarHBondContact O-N 3.49Å; V850-L852 VanDerWaalsContact C-N 3.28Å; V850-L852 PolarHBondContact O-N 3.21Å; V850-T853 PolarHBondContact O-N 3.14Å; V850-T853 VanDerWaalsContact O-N 3.15Å; V850-T853 PolarHBondContact O-OG1 3.33Å; V850-K856 HydrophobicContact CG1-CB 3.99Å; V850-K856 HydrophobicContact CG1-CG 4.21Å; V850-R864 HydrophobicContact CB-CB 4.43Å; V850-R864 HydrophobicContact CG1-CB 4.07Å; V850-R864 HydrophobicContact CG1-CG 3.96Å; V850-Y867 HydrophobicContact CB-CD1 4.49Å; V850-Y867 HydrophobicContact CG1-CD1 3.87Å; V850-Y867 HydrophobicContact CG1-CE1 4.42Å; V850-Y867 HydrophobicContact CG2-CD1 3.82Å; V850-Y867 HydrophobicContact CG2-CE1 4.45Å; V850-A868 HydrophobicContact CG2-CB 3.75Å
851	N	94.5	Very high	94.8	Very high	20 Å²	20	29.6 Å²	29.6	11%	0.107	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-38	176.6	-76.4	-17.9	0	0	0	112.8	I847 H848 L849 T853 G854 K857 R864 S1262	I847-N851 WeakPolarHBondContact O-CB 3.41Å; I847-N851 VanDerWaalsContact O-CG 3.23Å; I847-N851 PolarHBondContact O-N 3.5Å; H848-N851 WeakPolarHBondContact O-CB 3.47Å; H848-N851 PolarHBondContact O-N 3.5Å; L849-N851 VanDerWaalsContact C-N 3.31Å; L849-N851 PolarHBondContact O-N 3.05Å; N851-T853 VanDerWaalsContact C-N 3.33Å; N851-G854 PolarHBondContact O-N 3.28Å; N851-K857 PolarHBondContact O-NZ 3.47Å; N851-R864 PolarHBondContact OD1-NH1 3.08Å; N851-S1262 PolarHBondContact ND2-OXT 3.12Å
852	L	95.6	Very high	94.7	Very high	15 Å²	15	33.2 Å²	33.2	8%	0.079	18%	0.177	C	C	.	.	H	α-helix	trans	-67.8	-28.7	177.5	-67.9	173	0	0	0	112.9	H848 L849 V850 G854 E894 Q897 I898 C901	H848-L852 WeakPolarHBondContact NE2-CD1 3.4Å; H848-L852 WeakPolarHBondContact O-CG 3.44Å; H848-L852 PolarHBondContact O-N 3.49Å; L849-L852 WeakPolarHBondContact O-CB 3.18Å; L849-L852 PolarHBondContact O-N 3.29Å; V850-L852 VanDerWaalsContact C-N 3.28Å; V850-L852 PolarHBondContact O-N 3.21Å; L852-G854 PolarHBondContact O-N 2.78Å; L852-E894 HydrophobicContact CB-CB 4.35Å; L852-E894 HydrophobicContact CD2-CB 4.13Å; L852-E894 HydrophobicContact CD2-CG 4.29Å; L852-Q897 HydrophobicContact CD1-CB 3.78Å; L852-Q897 HydrophobicContact CD2-CB 4.01Å; L852-I898 HydrophobicContact CB-CD1 3.98Å; L852-I898 HydrophobicContact CB-CG1 3.52Å; L852-I898 HydrophobicContact CD1-CG1 4.08Å; L852-I898 HydrophobicContact CG-CG1 4.47Å; L852-C901 HydrophobicContact CD1-CB 4.42Å
853	T	95.1	Very high	94.6	Very high	6 Å²	6	36 Å²	36	4%	0.037	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-21.7	176	69.9	0	0	0	0	112.8	L849 V850 N851 L855 W888 A893 I898	L849-T853 WeakPolarHBondContact O-CG2 3.35Å; L849-T853 PolarHBondContact O-N 3.12Å; V850-T853 PolarHBondContact O-N 3.14Å; V850-T853 VanDerWaalsContact O-N 3.15Å; V850-T853 PolarHBondContact O-OG1 3.33Å; N851-T853 VanDerWaalsContact C-N 3.33Å; T853-L855 PolarHBondContact O-N 2.96Å; T853-L855 WeakPolarHBondContact OG1-CB 2.95Å; T853-L855 PolarHBondContact OG1-N 3.33Å; T853-L855 VanDerWaalsContact OG1-N 3.14Å; T853-W888 HydrophobicContact CG2-CH2 4Å; T853-W888 HydrophobicContact CG2-CZ2 4.05Å; T853-A893 WeakPolarHBondContact O-CB 3.44Å; T853-I898 HydrophobicContact CG2-CD1 4.25Å
854	G	88.6	Confident	94.6	Very high	37 Å²	37	33.2 Å²	33.2	38%	0.381	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-0.6	-172.5	0	0	0	0	0	114.1	N851 L852	N851-G854 PolarHBondContact O-N 3.28Å; L852-G854 PolarHBondContact O-N 2.78Å
855	L	89	Confident	94.5	Very high	79 Å²	79	33.6 Å²	33.6	41%	0.414	18%	0.177	S	C	.	.			trans	-88.1	176.4	178.8	-54.1	177.5	0	0	0	111.8	T853 K857 Y867	T853-L855 PolarHBondContact O-N 2.96Å; T853-L855 WeakPolarHBondContact OG1-CB 2.95Å; T853-L855 PolarHBondContact OG1-N 3.33Å; T853-L855 VanDerWaalsContact OG1-N 3.14Å; L855-K857 PolarHBondContact O-N 2.91Å; L855-Y867 HydrophobicContact CD1-CE1 4.37Å; L855-Y867 WeakPolarHBondContact CD1-OH 3.27Å
856	K	90.7	Very high	94.5	Very high	88 Å²	88	40 Å²	40	38%	0.383	21%	0.207	S	C	.	.			trans	53.5	28.5	168.9	-57.6	-68.7	-178.1	170.1	0	115.1	V850 R858 C859 R864 Y867	V850-K856 HydrophobicContact CG1-CB 3.99Å; V850-K856 HydrophobicContact CG1-CG 4.21Å; K856-R858 VanDerWaalsContact C-N 3.31Å; K856-R858 PolarHBondContact O-N 2.72Å; K856-C859 HydrophobicContact CB-CB 3.99Å; K856-C859 HydrophobicContact CD-CB 4.41Å; K856-C859 VanDerWaalsContact CD-SG 3.54Å; K856-C859 WeakPolarHBondContact O-CB 3.32Å; K856-C859 PolarHBondContact O-N 2.84Å; K856-R864 HydrophobicContact CB-CG 4.15Å; K856-R864 PolarHBondContact O-NE 3.34Å; K856-Y867 HydrophobicContact CD-CG 4.43Å; K856-Y867 HydrophobicContact CG-CD1 3.86Å; K856-Y867 HydrophobicContact CG-CE1 4.35Å; K856-Y867 HydrophobicContact CG-CG 4.1Å
857	K	86.5	Confident	94.5	Very high	65 Å²	65	41 Å²	41	28%	0.283	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-26	-175.7	-65.7	-65.4	175.1	-170.3	0	114.6	N851 L855 P957	N851-K857 PolarHBondContact O-NZ 3.47Å; L855-K857 PolarHBondContact O-N 2.91Å; K857-P957 VanDerWaalsContact O-CG 3.32Å; K857-P957 WeakPolarHBondContact O-CG 3.29Å
858	R	90.3	Very high	94.6	Very high	99 Å²	99	40.7 Å²	40.7	37%	0.374	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	2.1	173.5	-72.5	-176.4	172.1	168.1	-3.8	113.5	K856 D959 D963 E966	K856-R858 VanDerWaalsContact C-N 3.31Å; K856-R858 PolarHBondContact O-N 2.72Å; R858-D959 HydrophobicContact CG-CB 3.94Å; R858-D963 IonicContact CZ-OD1 2.8Å; R858-D963 IonicContact NH2-OD1 3.88Å; R858-D963 PolarHBondContact NH2-OD1 3.47Å; R858-E966 IonicContact CZ-OE1 3.66Å; R858-E966 VanDerWaalsContact CZ-OE1 3.28Å; R858-E966 IonicContact NH1-OE1 2.75Å; R858-E966 PolarHBondContact NH1-OE1 3.2Å; R858-E966 IonicContact NH2-OE1 3.93Å; R858-E966 PolarHBondContact NH2-OE1 2.81Å
859	C	93.9	Very high	94.6	Very high	23 Å²	23	44.1 Å²	44.1	16%	0.155	23%	0.228	C	C	.	.	S	Bend	trans	-92.1	147	-178.7	-61.7	0	0	0	0	111.3	K856 E863 R864 P957	K856-C859 HydrophobicContact CB-CB 3.99Å; K856-C859 HydrophobicContact CD-CB 4.41Å; K856-C859 VanDerWaalsContact CD-SG 3.54Å; K856-C859 WeakPolarHBondContact O-CB 3.32Å; K856-C859 PolarHBondContact O-N 2.84Å; C859-E863 WeakPolarHBondContact CA-OE2 3.42Å; C859-E863 HydrophobicContact CB-CB 3.82Å; C859-E863 WeakPolarHBondContact CB-OE2 3.48Å; C859-R864 HydrophobicContact CB-CG 4.37Å; C859-R864 PolarHBondContact O-NE 3.12Å; C859-R864 VanDerWaalsContact O-NE 3.1Å; C859-R864 PolarHBondContact O-NH2 3.22Å; C859-R864 VanDerWaalsContact O-NH2 3.16Å; C859-P957 WeakPolarHBondContact O-CD 3.23Å; C859-P957 WeakPolarHBondContact O-CG 3.27Å
860	T	95.2	Very high	94.6	Very high	31 Å²	31	48.1 Å²	48.1	19%	0.19	26%	0.256	C	S	.	.			trans	-61.6	165.3	172.6	64.2	0	0	0	0	112	S862 E863 R864 N955 C956 Y1259	T860-S862 VanDerWaalsContact C-N 3.3Å; T860-S862 PolarHBondContact O-N 2.95Å; T860-E863 PolarHBondContact N-OE2 2.83Å; T860-E863 PolarHBondContact O-N 3.38Å; T860-E863 WeakPolarHBondContact OG1-CB 3.3Å; T860-E863 VanDerWaalsContact OG1-CG 3.27Å; T860-E863 WeakPolarHBondContact OG1-CG 3.44Å; T860-E863 PolarHBondContact OG1-N 2.83Å; T860-E863 VanDerWaalsContact OG1-N 3.17Å; T860-E863 PolarHBondContact OG1-OE2 2.69Å; T860-R864 WeakPolarHBondContact O-CG 3.4Å; T860-R864 PolarHBondContact O-N 3.41Å; T860-N955 WeakPolarHBondContact CG2-O 3.49Å; T860-C956 HydrophobicContact CG2-CB 4.39Å; T860-Y1259 WeakPolarHBondContact CA-OH 3.49Å; T860-Y1259 WeakPolarHBondContact CB-OH 3.23Å; T860-Y1259 WeakPolarHBondContact CG2-OH 3.23Å
861	H	93.9	Very high	94.6	Very high	16 Å²	16	48.8 Å²	48.8	7%	0.074	26%	0.259	C	S	.	.	H	α-helix	trans	-60.6	-40.5	174.6	-71	-60.3	0	0	0	111.9	I847 R864 L865 E1258 Y1259	I847-H861 HydrophobicContact CD1-CB 4.05Å; H861-R864 WeakPolarHBondContact O-CB 3.48Å; H861-R864 PolarHBondContact O-N 3Å; H861-L865 WeakPolarHBondContact O-CG 3.3Å; H861-L865 PolarHBondContact O-N 3.32Å; H861-E1258 IonicContact CD2-OE1 2.73Å; H861-E1258 PolarHBondContact CD2-OE1 3.36Å; H861-Y1259 AromaticContact CD2-CE1 3.55Å; H861-Y1259 AromaticContact NE2-CD1 3.64Å; H861-Y1259 AromaticContact NE2-CE1 3.66Å
862	S	95.7	Very high	94.8	Very high	76 Å²	76	49.2 Å²	49.2	53%	0.531	26%	0.261	S	S	.	.	H	α-helix	trans	-59.5	-48.2	175.7	-54.3	0	0	0	0	112.5	T860 R864 L865 E866	T860-S862 VanDerWaalsContact C-N 3.3Å; T860-S862 PolarHBondContact O-N 2.95Å; S862-R864 VanDerWaalsContact C-N 3.27Å; S862-R864 PolarHBondContact O-N 3.14Å; S862-L865 WeakPolarHBondContact O-CB 3.46Å; S862-L865 PolarHBondContact O-N 2.89Å; S862-L865 VanDerWaalsContact O-N 3.12Å; S862-E866 WeakPolarHBondContact O-CG 3.44Å; S862-E866 PolarHBondContact O-N 3.24Å
863	E	97.3	Very high	94.9	Very high	84 Å²	84	54.3 Å²	54.3	39%	0.393	29%	0.288	S	S	.	.	H	α-helix	trans	-64.8	-30.6	176.9	-71.6	169.5	129.4	0	0	112.6	C859 T860 Y867	C859-E863 WeakPolarHBondContact CA-OE2 3.42Å; C859-E863 HydrophobicContact CB-CB 3.82Å; C859-E863 WeakPolarHBondContact CB-OE2 3.48Å; T860-E863 PolarHBondContact N-OE2 2.83Å; T860-E863 PolarHBondContact O-N 3.38Å; T860-E863 WeakPolarHBondContact OG1-CB 3.3Å; T860-E863 VanDerWaalsContact OG1-CG 3.27Å; T860-E863 WeakPolarHBondContact OG1-CG 3.44Å; T860-E863 PolarHBondContact OG1-N 2.83Å; T860-E863 VanDerWaalsContact OG1-N 3.17Å; T860-E863 PolarHBondContact OG1-OE2 2.69Å; E863-Y867 WeakPolarHBondContact O-CB 3.39Å; E863-Y867 PolarHBondContact O-N 3.48Å
864	R	96.7	Very high	95	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-69.7	-39.1	173.3	-70.3	177.3	-162.5	178.8	11.4	111.2	V850 N851 K856 C859 T860 H861 S862 Y867 A868	V850-R864 HydrophobicContact CB-CB 4.43Å; V850-R864 HydrophobicContact CG1-CB 4.07Å; V850-R864 HydrophobicContact CG1-CG 3.96Å; N851-R864 PolarHBondContact OD1-NH1 3.08Å; K856-R864 HydrophobicContact CB-CG 4.15Å; K856-R864 PolarHBondContact O-NE 3.34Å; C859-R864 HydrophobicContact CB-CG 4.37Å; C859-R864 PolarHBondContact O-NE 3.12Å; C859-R864 VanDerWaalsContact O-NE 3.1Å; C859-R864 PolarHBondContact O-NH2 3.22Å; C859-R864 VanDerWaalsContact O-NH2 3.16Å; T860-R864 WeakPolarHBondContact O-CG 3.4Å; T860-R864 PolarHBondContact O-N 3.41Å; H861-R864 WeakPolarHBondContact O-CB 3.48Å; H861-R864 PolarHBondContact O-N 3Å; S862-R864 VanDerWaalsContact C-N 3.27Å; S862-R864 PolarHBondContact O-N 3.14Å; R864-Y867 PolarHBondContact O-N 3.03Å; R864-A868 PolarHBondContact O-N 3.12Å
865	L	97.3	Very high	95.5	Very high	32 Å²	32	54.1 Å²	54.1	17%	0.168	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-48.9	175.3	-69.5	170.6	0	0	0	111.3	D843 K846 I847 H861 S862 Y867 A868 D869	D843-L865 HydrophobicContact CB-CD1 4.24Å; D843-L865 HydrophobicContact CB-CD2 3.71Å; D843-L865 WeakPolarHBondContact O-CD2 3.46Å; K846-L865 HydrophobicContact CB-CD2 3.8Å; K846-L865 HydrophobicContact CD-CD2 4Å; I847-L865 HydrophobicContact CD1-CD2 4.13Å; I847-L865 HydrophobicContact CD1-CG 4.24Å; I847-L865 HydrophobicContact CG1-CD2 3.8Å; I847-L865 HydrophobicContact CG1-CG 4.05Å; H861-L865 WeakPolarHBondContact O-CG 3.3Å; H861-L865 PolarHBondContact O-N 3.32Å; S862-L865 WeakPolarHBondContact O-CB 3.46Å; S862-L865 PolarHBondContact O-N 2.89Å; S862-L865 VanDerWaalsContact O-N 3.12Å; L865-Y867 PolarHBondContact O-N 3.11Å; L865-A868 WeakPolarHBondContact O-CB 3.39Å; L865-A868 PolarHBondContact O-N 2.87Å; L865-D869 PolarHBondContact O-N 3.42Å
866	E	98	Very high	95.9	Very high	134 Å²	134	52.9 Å²	52.9	63%	0.626	27%	0.271	S	S	*	.	H	α-helix	trans	-56.4	-41.8	175.2	-71.5	174	-169.8	0	0	111.7	S862 D869 S870	S862-E866 WeakPolarHBondContact O-CG 3.44Å; S862-E866 PolarHBondContact O-N 3.24Å; E866-D869 PolarHBondContact O-N 2.93Å; E866-S870 WeakPolarHBondContact O-CB 3.44Å; E866-S870 PolarHBondContact O-N 2.95Å
867	Y	98	Very high	96.3	Very high	42 Å²	42	49.8 Å²	49.8	17%	0.165	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-45.5	175.4	178.8	-115.3	0	0	0	112.1	V850 L855 K856 E863 R864 L865 D869 S870 I871	V850-Y867 HydrophobicContact CB-CD1 4.49Å; V850-Y867 HydrophobicContact CG1-CD1 3.87Å; V850-Y867 HydrophobicContact CG1-CE1 4.42Å; V850-Y867 HydrophobicContact CG2-CD1 3.82Å; V850-Y867 HydrophobicContact CG2-CE1 4.45Å; L855-Y867 HydrophobicContact CD1-CE1 4.37Å; L855-Y867 WeakPolarHBondContact CD1-OH 3.27Å; K856-Y867 HydrophobicContact CD-CG 4.43Å; K856-Y867 HydrophobicContact CG-CD1 3.86Å; K856-Y867 HydrophobicContact CG-CE1 4.35Å; K856-Y867 HydrophobicContact CG-CG 4.1Å; E863-Y867 WeakPolarHBondContact O-CB 3.39Å; E863-Y867 PolarHBondContact O-N 3.48Å; R864-Y867 PolarHBondContact O-N 3.03Å; L865-Y867 PolarHBondContact O-N 3.11Å; Y867-D869 VanDerWaalsContact C-N 3.26Å; Y867-D869 PolarHBondContact O-N 3.43Å; Y867-S870 PolarHBondContact O-N 2.82Å; Y867-S870 VanDerWaalsContact O-N 3.14Å; Y867-S870 PolarHBondContact O-OG 3.01Å; Y867-I871 HydrophobicContact CD2-CG2 4.39Å; Y867-I871 HydrophobicContact CE1-CD1 4.02Å; Y867-I871 HydrophobicContact CE2-CG2 3.78Å; Y867-I871 WeakPolarHBondContact O-CG1 3.45Å; Y867-I871 PolarHBondContact O-N 3.49Å
868	A	97.6	Very high	96.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.2	-41.8	176.4	0	0	0	0	0	111.8	K846 V850 R864 L865 I871 M872	K846-A868 HydrophobicContact CB-CB 3.75Å; K846-A868 HydrophobicContact CD-CB 4.31Å; K846-A868 HydrophobicContact CG-CB 4.12Å; V850-A868 HydrophobicContact CG2-CB 3.75Å; R864-A868 PolarHBondContact O-N 3.12Å; L865-A868 WeakPolarHBondContact O-CB 3.39Å; L865-A868 PolarHBondContact O-N 2.87Å; A868-I871 WeakPolarHBondContact O-CG1 3.46Å; A868-I871 PolarHBondContact O-N 2.87Å; A868-M872 PolarHBondContact O-N 2.81Å
869	D	98	Very high	97.2	Very high	77 Å²	77	42.6 Å²	42.6	41%	0.412	23%	0.233	S	C	.	.	H	α-helix	trans	-68.2	-37.5	177.2	-70	-31.2	0	0	0	111.9	K846 L865 E866 Y867 I871 M872	K846-D869 VanDerWaalsContact CE-OD1 3.23Å; K846-D869 WeakPolarHBondContact CE-OD1 3.4Å; K846-D869 IonicContact NZ-OD1 2.67Å; K846-D869 PolarHBondContact NZ-OD1 3.5Å; K846-D869 IonicContact NZ-OD2 3.32Å; K846-D869 PolarHBondContact NZ-OD2 3.35Å; L865-D869 PolarHBondContact O-N 3.42Å; E866-D869 PolarHBondContact O-N 2.93Å; Y867-D869 VanDerWaalsContact C-N 3.26Å; Y867-D869 PolarHBondContact O-N 3.43Å; D869-I871 PolarHBondContact O-N 3.4Å; D869-M872 VanDerWaalsContact O-CB 3.29Å; D869-M872 WeakPolarHBondContact O-CB 3.34Å; D869-M872 PolarHBondContact O-N 3.39Å
870	S	98.1	Very high	97.4	Very high	85 Å²	85	46.8 Å²	46.8	59%	0.594	25%	0.25	S	S	*	.	H	α-helix	trans	-62.9	-27.8	176.1	78.4	0	0	0	0	113.8	E866 Y867	E866-S870 WeakPolarHBondContact O-CB 3.44Å; E866-S870 PolarHBondContact O-N 2.95Å; Y867-S870 PolarHBondContact O-N 2.82Å; Y867-S870 VanDerWaalsContact O-N 3.14Å; Y867-S870 PolarHBondContact O-OG 3.01Å
871	I	97.2	Very high	97.5	Very high	14 Å²	14	50.7 Å²	50.7	7%	0.072	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	11.8	178.7	66.6	169.9	0	0	0	112.9	L849 Y867 A868 D869 N873 D874 I875 W888	L849-I871 HydrophobicContact CD2-CD1 4.13Å; Y867-I871 HydrophobicContact CD2-CG2 4.39Å; Y867-I871 HydrophobicContact CE1-CD1 4.02Å; Y867-I871 HydrophobicContact CE2-CG2 3.78Å; Y867-I871 WeakPolarHBondContact O-CG1 3.45Å; Y867-I871 PolarHBondContact O-N 3.49Å; A868-I871 WeakPolarHBondContact O-CG1 3.46Å; A868-I871 PolarHBondContact O-N 2.87Å; D869-I871 PolarHBondContact O-N 3.4Å; I871-N873 PolarHBondContact O-N 3.45Å; I871-N873 VanDerWaalsContact O-N 3.11Å; I871-D874 WeakPolarHBondContact O-CA 3.37Å; I871-D874 WeakPolarHBondContact O-CB 3.39Å; I871-D874 PolarHBondContact O-N 2.95Å; I871-I875 HydrophobicContact CD1-CD1 4.3Å; I871-I875 HydrophobicContact CD1-CG1 4.39Å; I871-I875 HydrophobicContact CG1-CD1 3.98Å; I871-I875 HydrophobicContact CG1-CG1 4.22Å; I871-I875 PolarHBondContact O-N 2.97Å; I871-I875 VanDerWaalsContact O-N 3.14Å; I871-W888 HydrophobicContact CD1-CH2 3.75Å; I871-W888 HydrophobicContact CD1-CZ2 3.55Å
872	M	98	Very high	97.6	Very high	29 Å²	29	50.2 Å²	50.2	14%	0.143	26%	0.263	C	S	.	.	H	α-helix	trans	-55.7	-35.4	-173.7	-171.3	58.8	64.3	0	0	113.1	A868 D869 D874 I875 I876 L909	A868-M872 PolarHBondContact O-N 2.81Å; D869-M872 VanDerWaalsContact O-CB 3.29Å; D869-M872 WeakPolarHBondContact O-CB 3.34Å; D869-M872 PolarHBondContact O-N 3.39Å; M872-D874 VanDerWaalsContact C-N 3.3Å; M872-D874 PolarHBondContact O-N 3.47Å; M872-I875 HydrophobicContact CE-CD1 4.46Å; M872-I875 WeakPolarHBondContact O-CB 3.38Å; M872-I875 PolarHBondContact O-N 3.16Å; M872-I875 HydrophobicContact SD-CB 4.37Å; M872-I875 HydrophobicContact SD-CD1 4.31Å; M872-I875 HydrophobicContact SD-CG2 4.46Å; M872-I876 HydrophobicContact CG-CD1 4.02Å; M872-I876 HydrophobicContact CG-CG1 4.48Å; M872-I876 WeakPolarHBondContact O-CG1 3.26Å; M872-I876 PolarHBondContact O-N 3.44Å; M872-I876 HydrophobicContact SD-CD1 4.49Å; M872-I876 HydrophobicContact SD-CG1 4.46Å; M872-L909 HydrophobicContact CE-CD1 4.18Å; M872-L909 HydrophobicContact SD-CD1 3.59Å; M872-L909 VanDerWaalsContact SD-CD1 3.59Å
873	N	97.7	Very high	97.6	Very high	122 Å²	122	48.3 Å²	48.3	65%	0.652	25%	0.245	S	C	*	.	H	α-helix	trans	-61.9	-36.9	175.4	-70.7	-27.3	0	0	0	112.4	I871 D877 R886	I871-N873 PolarHBondContact O-N 3.45Å; I871-N873 VanDerWaalsContact O-N 3.11Å; N873-D877 WeakPolarHBondContact O-CB 3.4Å; N873-D877 PolarHBondContact O-N 2.86Å; N873-R886 PolarHBondContact O-NH2 2.96Å
874	D	98.2	Very high	97.5	Very high	38 Å²	38	51.1 Å²	51.1	20%	0.203	26%	0.263	C	S	.	.	H	α-helix	trans	-73	-34	177.3	-67.6	-38.1	0	0	0	111.8	I871 M872 S878 R886 W888	I871-D874 WeakPolarHBondContact O-CA 3.37Å; I871-D874 WeakPolarHBondContact O-CB 3.39Å; I871-D874 PolarHBondContact O-N 2.95Å; M872-D874 VanDerWaalsContact C-N 3.3Å; M872-D874 PolarHBondContact O-N 3.47Å; D874-S878 VanDerWaalsContact O-CB 3.23Å; D874-S878 WeakPolarHBondContact O-CB 3.47Å; D874-S878 PolarHBondContact O-N 3.26Å; D874-S878 PolarHBondContact O-OG 2.78Å; D874-R886 VanDerWaalsContact CA-NH2 3.27Å; D874-R886 VanDerWaalsContact N-NH2 3.15Å; D874-R886 IonicContact OD1-CZ 2.73Å; D874-R886 IonicContact OD1-NE 3.16Å; D874-R886 PolarHBondContact OD1-NE 3.35Å; D874-R886 IonicContact OD1-NH2 3.56Å; D874-R886 PolarHBondContact OD1-NH2 2.66Å; D874-W888 HydrophobicContact CB-CB 3.98Å; D874-W888 HydrophobicContact CB-CD2 3.88Å; D874-W888 HydrophobicContact CB-CE3 4.2Å; D874-W888 HydrophobicContact CB-CG 3.76Å
875	I	98	Very high	97.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.1	-51.8	174.4	-62.7	174.8	0	0	0	109.7	L849 I871 M872 S878 A879 C902 L905	L849-I875 HydrophobicContact CD1-CD1 4.01Å; L849-I875 HydrophobicContact CD1-CG1 4.04Å; L849-I875 HydrophobicContact CD1-CG2 4.17Å; L849-I875 HydrophobicContact CD2-CD1 3.85Å; L849-I875 HydrophobicContact CD2-CG1 4.22Å; I871-I875 HydrophobicContact CD1-CD1 4.3Å; I871-I875 HydrophobicContact CD1-CG1 4.39Å; I871-I875 HydrophobicContact CG1-CD1 3.98Å; I871-I875 HydrophobicContact CG1-CG1 4.22Å; I871-I875 PolarHBondContact O-N 2.97Å; I871-I875 VanDerWaalsContact O-N 3.14Å; M872-I875 HydrophobicContact CE-CD1 4.46Å; M872-I875 WeakPolarHBondContact O-CB 3.38Å; M872-I875 PolarHBondContact O-N 3.16Å; M872-I875 HydrophobicContact SD-CB 4.37Å; M872-I875 HydrophobicContact SD-CD1 4.31Å; M872-I875 HydrophobicContact SD-CG2 4.46Å; I875-S878 PolarHBondContact O-N 3.38Å; I875-A879 PolarHBondContact O-N 2.87Å; I875-C902 HydrophobicContact CG2-CB 4.02Å; I875-C902 WeakPolarHBondContact O-CB 3.16Å; I875-L905 HydrophobicContact CD1-CD1 4.36Å; I875-L905 HydrophobicContact CG2-CB 4.17Å; I875-L905 HydrophobicContact CG2-CD1 3.99Å
876	I	98.3	Very high	97.4	Very high	53 Å²	53	56.9 Å²	56.9	27%	0.272	29%	0.29	S	S	.	.	H	α-helix	trans	-65.1	-45	179.9	-64.1	170.2	0	0	0	110.8	M872 S878 A879 E880	M872-I876 HydrophobicContact CG-CD1 4.02Å; M872-I876 HydrophobicContact CG-CG1 4.48Å; M872-I876 WeakPolarHBondContact O-CG1 3.26Å; M872-I876 PolarHBondContact O-N 3.44Å; M872-I876 HydrophobicContact SD-CD1 4.49Å; M872-I876 HydrophobicContact SD-CG1 4.46Å; I876-S878 VanDerWaalsContact C-N 3.33Å; I876-S878 PolarHBondContact O-N 2.65Å; I876-A879 PolarHBondContact O-N 2.79Å; I876-A879 VanDerWaalsContact O-N 3.15Å; I876-E880 HydrophobicContact CG2-CG 4.32Å; I876-E880 WeakPolarHBondContact O-CG 3.42Å; I876-E880 PolarHBondContact O-N 3.37Å
877	D	98.4	Very high	97.2	Very high	24 Å²	24	56.3 Å²	56.3	13%	0.128	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-42.5	177.2	-179.9	85.5	0	0	0	112.1	N873 A879 E880 K881 R886	N873-D877 WeakPolarHBondContact O-CB 3.4Å; N873-D877 PolarHBondContact O-N 2.86Å; D877-A879 VanDerWaalsContact C-N 3.33Å; D877-A879 PolarHBondContact O-N 3.49Å; D877-E880 PolarHBondContact O-N 2.91Å; D877-K881 CarbonylContact O-C 3.46Å; D877-K881 WeakPolarHBondContact O-CA 3.45Å; D877-K881 PolarHBondContact O-N 2.89Å; D877-R886 IonicContact OD1-NH1 2.84Å; D877-R886 WeakPolarHBondContact OD2-CB 3.25Å; D877-R886 PolarHBondContact OD2-N 3.42Å
878	S	98.3	Very high	97.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-37.5	176.5	-61.4	0	0	0	0	112.2	D874 I875 I876 P882 L899	D874-S878 VanDerWaalsContact O-CB 3.23Å; D874-S878 WeakPolarHBondContact O-CB 3.47Å; D874-S878 PolarHBondContact O-N 3.26Å; D874-S878 PolarHBondContact O-OG 2.78Å; I875-S878 PolarHBondContact O-N 3.38Å; I876-S878 VanDerWaalsContact C-N 3.33Å; I876-S878 PolarHBondContact O-N 2.65Å; S878-P882 WeakPolarHBondContact O-CA 3.47Å; S878-P882 WeakPolarHBondContact O-CB 3.25Å; S878-L899 WeakPolarHBondContact O-CD1 3.47Å
879	A	97.9	Very high	97.2	Very high	13 Å²	13	55.9 Å²	55.9	11%	0.107	28%	0.28	C	S	.	.	H	α-helix	trans	-69.8	-40.3	178.2	0	0	0	0	0	113	I875 I876 D877 C902 M903 K906	I875-A879 PolarHBondContact O-N 2.87Å; I876-A879 PolarHBondContact O-N 2.79Å; I876-A879 VanDerWaalsContact O-N 3.15Å; D877-A879 VanDerWaalsContact C-N 3.33Å; D877-A879 PolarHBondContact O-N 3.49Å; A879-C902 HydrophobicContact CB-CB 4.18Å; A879-M903 HydrophobicContact CB-CG 4.15Å; A879-K906 HydrophobicContact CB-CB 3.71Å; A879-K906 HydrophobicContact CB-CG 4.14Å
880	E	97.6	Very high	97.1	Very high	110 Å²	110	54 Å²	54	51%	0.514	27%	0.268	S	S	.	.	H	α-helix	trans	-87.2	-36	-175.7	-66.3	-174.7	161.7	0	0	113.2	I876 D877 K906	I876-E880 HydrophobicContact CG2-CG 4.32Å; I876-E880 WeakPolarHBondContact O-CG 3.42Å; I876-E880 PolarHBondContact O-N 3.37Å; D877-E880 PolarHBondContact O-N 2.91Å; E880-K906 WeakPolarHBondContact OE1-CE 3.48Å
881	K	97	Very high	96.8	Very high	113 Å²	113	56.7 Å²	56.7	49%	0.491	28%	0.276	S	S	.	.			trans	-133.8	61.2	-174	-59.6	179.4	-174.3	173.6	0	111.2	D877 F883 D884 G885	D877-K881 CarbonylContact O-C 3.46Å; D877-K881 WeakPolarHBondContact O-CA 3.45Å; D877-K881 PolarHBondContact O-N 2.89Å; K881-F883 VanDerWaalsContact C-N 3.26Å; K881-F883 PolarHBondContact O-N 3.08Å; K881-F883 VanDerWaalsContact O-N 3.13Å; K881-D884 PolarHBondContact O-N 3.14Å; K881-G885 WeakPolarHBondContact O-CA 3.41Å; K881-G885 PolarHBondContact O-N 3.37Å
882	P	96.6	Very high	96.6	Very high	6 Å²	6	57.6 Å²	57.6	4%	0.039	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-35.4	-173.3	16.4	-28.8	0	0	0	114.6	Y723 S878 W889 L899	Y723-P882 HydrophobicContact CD2-CG 4.5Å; Y723-P882 HydrophobicContact CE1-CG 3.83Å; Y723-P882 HydrophobicContact CE2-CG 3.84Å; Y723-P882 VanDerWaalsContact CZ-CG 3.44Å; Y723-P882 WeakPolarHBondContact OH-CG 3.49Å; S878-P882 WeakPolarHBondContact O-CA 3.47Å; S878-P882 WeakPolarHBondContact O-CB 3.25Å; P882-W889 HydrophobicContact CB-CZ2 4.41Å; P882-W889 PolarHBondContact O-NE1 2.82Å; P882-L899 HydrophobicContact CB-CD1 3.88Å; P882-L899 HydrophobicContact CB-CD2 4.05Å
883	F	95.6	Very high	96.3	Very high	36 Å²	36	59.1 Å²	59.1	16%	0.158	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-17.1	-179.4	-65.3	-79.5	0	0	0	113.7	Y723 V727 K881 R887 W889 W896	Y723-F883 AromaticContact CD1-CD2 3.88Å; Y723-F883 HydrophobicContact CD1-CD2 3.88Å; Y723-F883 AromaticContact CD1-CE2 3.36Å; Y723-F883 HydrophobicContact CD1-CE2 3.36Å; Y723-F883 HydrophobicContact CD1-CZ 4.47Å; Y723-F883 HydrophobicContact CE1-CD2 4.14Å; Y723-F883 HydrophobicContact CE1-CE2 4.05Å; Y723-F883 AromaticContact CG-CE2 3.7Å; Y723-F883 HydrophobicContact CG-CE2 3.7Å; V727-F883 HydrophobicContact CG2-CE1 3.61Å; V727-F883 HydrophobicContact CG2-CZ 3.6Å; K881-F883 VanDerWaalsContact C-N 3.26Å; K881-F883 PolarHBondContact O-N 3.08Å; K881-F883 VanDerWaalsContact O-N 3.13Å; F883-R887 PolarHBondContact O-NE 2.88Å; F883-R887 PolarHBondContact O-NH2 3.39Å; F883-W889 HydrophobicContact CE1-CH2 4.48Å; F883-W889 HydrophobicContact CE1-CZ2 4.12Å; F883-W889 HydrophobicContact CZ-CH2 4.31Å; F883-W889 HydrophobicContact CZ-CZ2 4.07Å; F883-W896 HydrophobicContact CZ-CH2 4.29Å
884	D	94.7	Very high	96.3	Very high	143 Å²	143	56.8 Å²	56.8	77%	0.765	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-7.7	-175	-58.2	-42.9	0	0	0	113.6	K881	K881-D884 PolarHBondContact O-N 3.14Å
885	G	95.3	Very high	96.2	Very high	23 Å²	23	55.4 Å²	55.4	24%	0.237	28%	0.275	C	S	.	.	S	Bend	trans	-90.1	-150.6	177.2	0	0	0	0	0	113.3	K881 R887	K881-G885 WeakPolarHBondContact O-CA 3.41Å; K881-G885 PolarHBondContact O-N 3.37Å; G885-R887 PolarHBondContact O-N 2.83Å
886	R	96.7	Very high	96.3	Very high	133 Å²	133	55.4 Å²	55.4	50%	0.502	28%	0.275	S	S	.	.			trans	-71.9	-14.6	179.3	-63	-167.4	-68.2	-78.6	5.2	113.5	N873 D874 D877 W888	N873-R886 PolarHBondContact O-NH2 2.96Å; D874-R886 VanDerWaalsContact CA-NH2 3.27Å; D874-R886 VanDerWaalsContact N-NH2 3.15Å; D874-R886 IonicContact OD1-CZ 2.73Å; D874-R886 IonicContact OD1-NE 3.16Å; D874-R886 PolarHBondContact OD1-NE 3.35Å; D874-R886 IonicContact OD1-NH2 3.56Å; D874-R886 PolarHBondContact OD1-NH2 2.66Å; D877-R886 IonicContact OD1-NH1 2.84Å; D877-R886 WeakPolarHBondContact OD2-CB 3.25Å; D877-R886 PolarHBondContact OD2-N 3.42Å; R886-W888 PolarHBondContact O-N 2.93Å
887	R	95.1	Very high	96.2	Very high	121 Å²	121	53.1 Å²	53.1	46%	0.457	26%	0.263	S	S	.	.			trans	56.6	28.9	178.9	-56.9	174.1	-176.8	173.7	1.3	113.5	F883 G885 W889 Q890	F883-R887 PolarHBondContact O-NE 2.88Å; F883-R887 PolarHBondContact O-NH2 3.39Å; G885-R887 PolarHBondContact O-N 2.83Å; R887-W889 PolarHBondContact O-N 3.3Å; R887-Q890 HydrophobicContact CB-CG 4.16Å; R887-Q890 WeakPolarHBondContact O-CB 3.32Å; R887-Q890 PolarHBondContact O-N 3.39Å
888	W	96.8	Very high	96.2	Very high	34 Å²	34	52 Å²	52	13%	0.129	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-52.4	-40.8	-178.7	167.5	85.4	0	0	0	112.6	L849 T853 I871 D874 R886 Q890 N891 Q892 I898	L849-W888 HydrophobicContact CD2-CH2 4.05Å; T853-W888 HydrophobicContact CG2-CH2 4Å; T853-W888 HydrophobicContact CG2-CZ2 4.05Å; I871-W888 HydrophobicContact CD1-CH2 3.75Å; I871-W888 HydrophobicContact CD1-CZ2 3.55Å; D874-W888 HydrophobicContact CB-CB 3.98Å; D874-W888 HydrophobicContact CB-CD2 3.88Å; D874-W888 HydrophobicContact CB-CE3 4.2Å; D874-W888 HydrophobicContact CB-CG 3.76Å; R886-W888 PolarHBondContact O-N 2.93Å; W888-Q890 PolarHBondContact O-N 3.25Å; W888-N891 PolarHBondContact O-N 3.2Å; W888-Q892 HydrophobicContact CD2-CG 4.49Å; W888-Q892 VanDerWaalsContact CE2-NE2 3.32Å; W888-Q892 HydrophobicContact CH2-CG 4.28Å; W888-Q892 HydrophobicContact CZ2-CG 4.15Å; W888-Q892 VanDerWaalsContact NE1-NE2 3.2Å; W888-Q892 WeakPolarHBondContact O-CG 3.43Å; W888-Q892 PolarHBondContact O-NE2 3.48Å; W888-I898 HydrophobicContact CE3-CG2 4.47Å; W888-I898 HydrophobicContact CH2-CG2 4.12Å; W888-I898 HydrophobicContact CZ3-CG2 3.63Å
889	W	97.1	Very high	96.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-59.3	-29.2	-179.8	70.5	-89	0	0	0	114.1	L736 P882 F883 R887 N891 Q892 P895 W896 I898 L899	L736-W889 HydrophobicContact CD1-CH2 3.96Å; L736-W889 HydrophobicContact CD2-CH2 4.02Å; L736-W889 HydrophobicContact CD2-CZ3 3.77Å; P882-W889 HydrophobicContact CB-CZ2 4.41Å; P882-W889 PolarHBondContact O-NE1 2.82Å; F883-W889 HydrophobicContact CE1-CH2 4.48Å; F883-W889 HydrophobicContact CE1-CZ2 4.12Å; F883-W889 HydrophobicContact CZ-CH2 4.31Å; F883-W889 HydrophobicContact CZ-CZ2 4.07Å; R887-W889 PolarHBondContact O-N 3.3Å; W889-N891 VanDerWaalsContact C-N 3.28Å; W889-N891 PolarHBondContact O-N 2.93Å; W889-Q892 WeakPolarHBondContact O-CG 3.42Å; W889-Q892 PolarHBondContact O-N 3.16Å; W889-P895 HydrophobicContact CE3-CB 3.77Å; W889-P895 VanDerWaalsContact CE3-O 3.23Å; W889-P895 HydrophobicContact CZ3-CB 3.93Å; W889-P895 WeakPolarHBondContact O-CB 3.46Å; W889-W896 HydrophobicContact CH2-CE3 4.17Å; W889-W896 HydrophobicContact CH2-CH2 4.05Å; W889-W896 HydrophobicContact CH2-CZ2 4.41Å; W889-W896 AromaticContact CH2-CZ3 3.91Å; W889-W896 HydrophobicContact CH2-CZ3 3.91Å; W889-W896 HydrophobicContact CZ3-CD2 4.22Å; W889-W896 HydrophobicContact CZ3-CE3 4.12Å; W889-W896 HydrophobicContact CZ3-CZ3 4.33Å; W889-I898 HydrophobicContact CB-CG2 3.96Å; W889-L899 HydrophobicContact CD2-CB 3.99Å; W889-L899 HydrophobicContact CD2-CD1 4.23Å; W889-L899 HydrophobicContact CD2-CD2 4.22Å; W889-L899 HydrophobicContact CD2-CG 4.37Å; W889-L899 HydrophobicContact CE3-CB 3.86Å; W889-L899 HydrophobicContact CE3-CD2 4.3Å; W889-L899 HydrophobicContact CG-CB 4.34Å; W889-L899 HydrophobicContact CG-CD1 4.18Å; W889-L899 HydrophobicContact CH2-CD2 3.9Å; W889-L899 HydrophobicContact CZ2-CD2 3.83Å; W889-L899 HydrophobicContact CZ3-CB 4.3Å; W889-L899 HydrophobicContact CZ3-CD2 4.14Å
890	Q	96	Very high	96.3	Very high	36 Å²	36	51.4 Å²	51.4	17%	0.168	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-71	-23.9	-174.9	-60.8	-172.2	12.5	0	0	113	L736 R887 W888	L736-Q890 HydrophobicContact CD2-CB 4.02Å; L736-Q890 HydrophobicContact CD2-CG 4.04Å; R887-Q890 HydrophobicContact CB-CG 4.16Å; R887-Q890 WeakPolarHBondContact O-CB 3.32Å; R887-Q890 PolarHBondContact O-N 3.39Å; W888-Q890 PolarHBondContact O-N 3.25Å
891	N	91.9	Very high	96.3	Very high	142 Å²	142	46.2 Å²	46.2	76%	0.759	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-94.6	8.7	-176.7	-63.6	-42.3	0	0	0	113.2	W888 W889	W888-N891 PolarHBondContact O-N 3.2Å; W889-N891 VanDerWaalsContact C-N 3.28Å; W889-N891 PolarHBondContact O-N 2.93Å
892	Q	94.4	Very high	96.4	Very high	34 Å²	34	40.8 Å²	40.8	16%	0.159	21%	0.205	C	C	.	.	S	Bend	trans	-94	170.7	-176.7	-53.3	-54.2	-44.6	0	0	112	W888 W889 I898	W888-Q892 HydrophobicContact CD2-CG 4.49Å; W888-Q892 VanDerWaalsContact CE2-NE2 3.32Å; W888-Q892 HydrophobicContact CH2-CG 4.28Å; W888-Q892 HydrophobicContact CZ2-CG 4.15Å; W888-Q892 VanDerWaalsContact NE1-NE2 3.2Å; W888-Q892 WeakPolarHBondContact O-CG 3.43Å; W888-Q892 PolarHBondContact O-NE2 3.48Å; W889-Q892 WeakPolarHBondContact O-CG 3.42Å; W889-Q892 PolarHBondContact O-N 3.16Å; Q892-I898 HydrophobicContact CB-CD1 3.15Å; Q892-I898 HydrophobicContact CG-CD1 3.73Å
893	A	91.7	Very high	96.5	Very high	60 Å²	60	41.5 Å²	41.5	50%	0.496	21%	0.208	S	C	.	.	S	Bend	trans	-67.7	-37.1	-176.4	0	0	0	0	0	114.2	T853	T853-A893 WeakPolarHBondContact O-CB 3.44Å
894	E	96	Very high	96.6	Very high	74 Å²	74	40.9 Å²	40.9	35%	0.346	21%	0.205	S	C	.	.	S	Bend	trans	-127.5	71.3	-178.7	-58.5	-66.5	161.1	0	0	109.8	D823 L852 W896 Q897 I898	D823-E894 WeakPolarHBondContact CB-OE2 3.43Å; L852-E894 HydrophobicContact CB-CB 4.35Å; L852-E894 HydrophobicContact CD2-CB 4.13Å; L852-E894 HydrophobicContact CD2-CG 4.29Å; E894-W896 PolarHBondContact O-N 3.36Å; E894-Q897 HydrophobicContact CB-CB 4.42Å; E894-Q897 PolarHBondContact O-N 3.05Å; E894-Q897 PolarHBondContact OE2-NE2 3.31Å; E894-I898 WeakPolarHBondContact O-CB 3.31Å; E894-I898 WeakPolarHBondContact O-CD1 3.4Å; E894-I898 VanDerWaalsContact O-CG1 3.24Å; E894-I898 WeakPolarHBondContact O-CG1 3.41Å; E894-I898 PolarHBondContact O-N 3.31Å
895	P	97.7	Very high	96.8	Very high	8 Å²	8	34 Å²	34	5%	0.052	17%	0.169	C	C	.	.	H	α-helix	trans	-60.7	-41.7	-163.5	23.2	-34.5	0	0	0	113.7	L736 D823 W889 I898 L899	L736-P895 HydrophobicContact CD2-CB 4.04Å; L736-P895 HydrophobicContact CD2-CG 4.21Å; D823-P895 VanDerWaalsContact OD2-CD 3.28Å; D823-P895 WeakPolarHBondContact OD2-CD 3.26Å; W889-P895 HydrophobicContact CE3-CB 3.77Å; W889-P895 VanDerWaalsContact CE3-O 3.23Å; W889-P895 HydrophobicContact CZ3-CB 3.93Å; W889-P895 WeakPolarHBondContact O-CB 3.46Å; P895-I898 PolarHBondContact O-N 2.91Å; P895-L899 PolarHBondContact O-N 2.81Å
896	W	98.2	Very high	96.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-75	-38.9	-176.4	-65.7	104.3	0	0	0	112.8	I720 L724 V727 L736 I738 D823 V824 S827 F883 W889 E894 I898 L899 A900	I720-W896 HydrophobicContact CG2-CE3 4.32Å; L724-W896 HydrophobicContact CD2-CD2 3.67Å; L724-W896 HydrophobicContact CD2-CE3 4.02Å; L724-W896 HydrophobicContact CD2-CG 4.28Å; L724-W896 HydrophobicContact CD2-CH2 3.8Å; L724-W896 HydrophobicContact CD2-CZ2 3.44Å; L724-W896 VanDerWaalsContact CD2-CZ2 3.44Å; L724-W896 HydrophobicContact CD2-CZ3 4.08Å; L724-W896 HydrophobicContact CG-CD2 4.15Å; L724-W896 HydrophobicContact CG-CE3 4Å; L724-W896 HydrophobicContact CG-CH2 4Å; L724-W896 HydrophobicContact CG-CZ2 4.16Å; L724-W896 HydrophobicContact CG-CZ3 3.92Å; V727-W896 HydrophobicContact CG2-CH2 3.94Å; V727-W896 HydrophobicContact CG2-CZ2 4.32Å; L736-W896 HydrophobicContact CB-CZ2 3.96Å; L736-W896 HydrophobicContact CD1-CZ2 4.02Å; L736-W896 PolarHBondContact O-NE1 3.31Å; I738-W896 HydrophobicContact CG1-CZ2 4.28Å; D823-W896 WeakPolarHBondContact OD2-CB 3.3Å; D823-W896 PolarHBondContact OD2-N 2.65Å; V824-W896 HydrophobicContact CG2-CG 4.39Å; S827-W896 WeakPolarHBondContact CB-O 3.05Å; S827-W896 WeakPolarHBondContact OG-CB 3.36Å; F883-W896 HydrophobicContact CZ-CH2 4.29Å; W889-W896 HydrophobicContact CH2-CE3 4.17Å; W889-W896 HydrophobicContact CH2-CH2 4.05Å; W889-W896 HydrophobicContact CH2-CZ2 4.41Å; W889-W896 AromaticContact CH2-CZ3 3.91Å; W889-W896 HydrophobicContact CH2-CZ3 3.91Å; W889-W896 HydrophobicContact CZ3-CD2 4.22Å; W889-W896 HydrophobicContact CZ3-CE3 4.12Å; W889-W896 HydrophobicContact CZ3-CZ3 4.33Å; E894-W896 PolarHBondContact O-N 3.36Å; W896-I898 VanDerWaalsContact C-N 3.29Å; W896-L899 HydrophobicContact CE3-CD2 4.32Å; W896-L899 HydrophobicContact CZ3-CD2 4.29Å; W896-L899 PolarHBondContact O-N 2.72Å; W896-A900 WeakPolarHBondContact O-CB 3.41Å; W896-A900 PolarHBondContact O-N 3.47Å
897	Q	97.9	Very high	97	Very high	5 Å²	5	32.6 Å²	32.6	2%	0.023	16%	0.163	C	C	.	.	H	α-helix	trans	-64.6	-37.2	172	-75.5	168.7	107	0	0	111.1	D823 R826 L852 E894 A900 C901 H925	D823-Q897 WeakPolarHBondContact OD1-CB 3.28Å; D823-Q897 WeakPolarHBondContact OD1-CG 3.47Å; D823-Q897 PolarHBondContact OD1-N 3.46Å; D823-Q897 PolarHBondContact OD1-NE2 2.88Å; R826-Q897 HydrophobicContact CB-CG 3.95Å; L852-Q897 HydrophobicContact CD1-CB 3.78Å; L852-Q897 HydrophobicContact CD2-CB 4.01Å; E894-Q897 HydrophobicContact CB-CB 4.42Å; E894-Q897 PolarHBondContact O-N 3.05Å; E894-Q897 PolarHBondContact OE2-NE2 3.31Å; Q897-A900 PolarHBondContact O-N 2.9Å; Q897-C901 WeakPolarHBondContact O-CB 3.33Å; Q897-C901 PolarHBondContact O-N 3.15Å; Q897-H925 PolarHBondContact OE1-CE1 3.45Å; Q897-H925 VanDerWaalsContact OE1-CE1 3.25Å
898	I	98.3	Very high	97.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-49.2	175.1	-74.6	166.6	0	0	0	110.6	L852 T853 W888 W889 Q892 E894 P895 W896 A900 C901 C902	L852-I898 HydrophobicContact CB-CD1 3.98Å; L852-I898 HydrophobicContact CB-CG1 3.52Å; L852-I898 HydrophobicContact CD1-CG1 4.08Å; L852-I898 HydrophobicContact CG-CG1 4.47Å; T853-I898 HydrophobicContact CG2-CD1 4.25Å; W888-I898 HydrophobicContact CE3-CG2 4.47Å; W888-I898 HydrophobicContact CH2-CG2 4.12Å; W888-I898 HydrophobicContact CZ3-CG2 3.63Å; W889-I898 HydrophobicContact CB-CG2 3.96Å; Q892-I898 HydrophobicContact CB-CD1 3.15Å; Q892-I898 HydrophobicContact CG-CD1 3.73Å; E894-I898 WeakPolarHBondContact O-CB 3.31Å; E894-I898 WeakPolarHBondContact O-CD1 3.4Å; E894-I898 VanDerWaalsContact O-CG1 3.24Å; E894-I898 WeakPolarHBondContact O-CG1 3.41Å; E894-I898 PolarHBondContact O-N 3.31Å; P895-I898 PolarHBondContact O-N 2.91Å; W896-I898 VanDerWaalsContact C-N 3.29Å; I898-A900 VanDerWaalsContact C-N 3.27Å; I898-A900 PolarHBondContact O-N 3.24Å; I898-C901 CarbonylContact O-C 3.58Å; I898-C901 PolarHBondContact O-N 3.05Å; I898-C901 VanDerWaalsContact O-N 3.09Å; I898-C902 PolarHBondContact O-N 3.47Å; I898-C902 PolarHBondContact O-SG 3.28Å
899	L	98.7	Very high	97.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.3	-43.3	178.1	-179.3	60.4	0	0	0	111.6	I720 Y723 S878 P882 W889 P895 W896 C901 C902 M903	I720-L899 HydrophobicContact CD1-CB 4.25Å; I720-L899 HydrophobicContact CD1-CD2 3.97Å; I720-L899 HydrophobicContact CD1-CG 3.9Å; Y723-L899 HydrophobicContact CD2-CD2 4.36Å; S878-L899 WeakPolarHBondContact O-CD1 3.47Å; P882-L899 HydrophobicContact CB-CD1 3.88Å; P882-L899 HydrophobicContact CB-CD2 4.05Å; W889-L899 HydrophobicContact CD2-CB 3.99Å; W889-L899 HydrophobicContact CD2-CD1 4.23Å; W889-L899 HydrophobicContact CD2-CD2 4.22Å; W889-L899 HydrophobicContact CD2-CG 4.37Å; W889-L899 HydrophobicContact CE3-CB 3.86Å; W889-L899 HydrophobicContact CE3-CD2 4.3Å; W889-L899 HydrophobicContact CG-CB 4.34Å; W889-L899 HydrophobicContact CG-CD1 4.18Å; W889-L899 HydrophobicContact CH2-CD2 3.9Å; W889-L899 HydrophobicContact CZ2-CD2 3.83Å; W889-L899 HydrophobicContact CZ3-CB 4.3Å; W889-L899 HydrophobicContact CZ3-CD2 4.14Å; P895-L899 PolarHBondContact O-N 2.81Å; W896-L899 HydrophobicContact CE3-CD2 4.32Å; W896-L899 HydrophobicContact CZ3-CD2 4.29Å; W896-L899 PolarHBondContact O-N 2.72Å; L899-C901 VanDerWaalsContact C-N 3.33Å; L899-C901 PolarHBondContact O-N 3.43Å; L899-C902 WeakPolarHBondContact O-CB 3.31Å; L899-C902 PolarHBondContact O-N 2.94Å; L899-M903 HydrophobicContact CD1-CE 3.69Å; L899-M903 HydrophobicContact CD2-CE 4.07Å; L899-M903 HydrophobicContact CG-CE 3.69Å; L899-M903 WeakPolarHBondContact O-CG 3.3Å; L899-M903 PolarHBondContact O-N 3.06Å; L899-M903 VanDerWaalsContact O-N 3.1Å
900	A	98.5	Very high	97.2	Very high	2 Å²	2	32 Å²	32	2%	0.017	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-41.9	176.3	0	0	0	0	0	111.9	I720 W896 Q897 I898 M903 E904 F922	I720-A900 HydrophobicContact CD1-CB 3.92Å; I720-A900 HydrophobicContact CG1-CB 3.83Å; W896-A900 WeakPolarHBondContact O-CB 3.41Å; W896-A900 PolarHBondContact O-N 3.47Å; Q897-A900 PolarHBondContact O-N 2.9Å; I898-A900 VanDerWaalsContact C-N 3.27Å; I898-A900 PolarHBondContact O-N 3.24Å; A900-M903 PolarHBondContact O-N 2.82Å; A900-E904 PolarHBondContact O-N 3.08Å; A900-E904 VanDerWaalsContact O-N 3.11Å; A900-F922 HydrophobicContact CB-CE2 3.75Å; A900-F922 HydrophobicContact CB-CZ 4.48Å
901	C	98.6	Very high	97.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-70.4	-36.5	177.6	-164	0	0	0	0	112.3	L849 L852 Q897 I898 L899 M903 E904 L905 F922	L849-C901 HydrophobicContact CD1-CB 4.32Å; L852-C901 HydrophobicContact CD1-CB 4.42Å; Q897-C901 WeakPolarHBondContact O-CB 3.33Å; Q897-C901 PolarHBondContact O-N 3.15Å; I898-C901 CarbonylContact O-C 3.58Å; I898-C901 PolarHBondContact O-N 3.05Å; I898-C901 VanDerWaalsContact O-N 3.09Å; L899-C901 VanDerWaalsContact C-N 3.33Å; L899-C901 PolarHBondContact O-N 3.43Å; C901-M903 VanDerWaalsContact C-N 3.31Å; C901-M903 PolarHBondContact O-N 3.01Å; C901-E904 PolarHBondContact O-N 3.32Å; C901-L905 WeakPolarHBondContact O-CB 3.36Å; C901-L905 PolarHBondContact O-N 2.87Å; C901-F922 HydrophobicContact CB-CE1 4.17Å; C901-F922 HydrophobicContact CB-CE2 4.21Å; C901-F922 HydrophobicContact CB-CZ 3.69Å
902	C	98.7	Very high	97.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.5	-45.3	172.5	-69.6	0	0	0	0	111.2	I875 A879 I898 L899 L905 K906	I875-C902 HydrophobicContact CG2-CB 4.02Å; I875-C902 WeakPolarHBondContact O-CB 3.16Å; A879-C902 HydrophobicContact CB-CB 4.18Å; I898-C902 PolarHBondContact O-N 3.47Å; I898-C902 PolarHBondContact O-SG 3.28Å; L899-C902 WeakPolarHBondContact O-CB 3.31Å; L899-C902 PolarHBondContact O-N 2.94Å; C902-L905 PolarHBondContact O-N 3.22Å; C902-K906 WeakPolarHBondContact O-CB 3.32Å; C902-K906 PolarHBondContact O-N 3.49Å
903	M	98.5	Very high	97.7	Very high	21 Å²	21	34.7 Å²	34.7	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-43	176.4	-68.3	171.3	-175.6	0	0	111.8	T719 I720 Y723 A879 L899 A900 C901 K906 N907	T719-M903 HydrophobicContact CG2-CE 4.03Å; T719-M903 HydrophobicContact CG2-SD 3.61Å; I720-M903 HydrophobicContact CD1-CE 4.38Å; I720-M903 HydrophobicContact CD1-SD 4.08Å; Y723-M903 HydrophobicContact CD2-CE 3.98Å; Y723-M903 HydrophobicContact CE2-CE 3.41Å; Y723-M903 VanDerWaalsContact CE2-CE 3.41Å; A879-M903 HydrophobicContact CB-CG 4.15Å; L899-M903 HydrophobicContact CD1-CE 3.69Å; L899-M903 HydrophobicContact CD2-CE 4.07Å; L899-M903 HydrophobicContact CG-CE 3.69Å; L899-M903 WeakPolarHBondContact O-CG 3.3Å; L899-M903 PolarHBondContact O-N 3.06Å; L899-M903 VanDerWaalsContact O-N 3.1Å; A900-M903 PolarHBondContact O-N 2.82Å; C901-M903 VanDerWaalsContact C-N 3.31Å; C901-M903 PolarHBondContact O-N 3.01Å; M903-K906 PolarHBondContact O-N 3.29Å; M903-N907 WeakPolarHBondContact O-CB 3.34Å; M903-N907 PolarHBondContact O-N 3.13Å; M903-N907 PolarHBondContact O-ND2 3.04Å; M903-N907 VanDerWaalsContact O-ND2 3.13Å
904	E	98.4	Very high	98	Very high	22 Å²	22	33.1 Å²	33.1	10%	0.103	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-47.1	176.8	-165.5	75.2	175.3	0	0	111.5	L845 A900 C901 N907 A908 Y918 S920 H921 F922	L845-E904 HydrophobicContact CD1-CG 4Å; L845-E904 HydrophobicContact CD2-CG 4.38Å; A900-E904 PolarHBondContact O-N 3.08Å; A900-E904 VanDerWaalsContact O-N 3.11Å; C901-E904 PolarHBondContact O-N 3.32Å; E904-N907 PolarHBondContact O-N 3.04Å; E904-A908 WeakPolarHBondContact O-CB 3.43Å; E904-A908 PolarHBondContact O-N 3.1Å; E904-Y918 HydrophobicContact CG-CE1 4.22Å; E904-Y918 WeakPolarHBondContact OE1-CE1 3.41Å; E904-Y918 PolarHBondContact OE2-OH 3.44Å; E904-S920 VanDerWaalsContact OE1-CA 3.25Å; E904-S920 WeakPolarHBondContact OE1-CA 2.97Å; E904-S920 WeakPolarHBondContact OE1-CB 3.22Å; E904-S920 PolarHBondContact OE1-OG 2.91Å; E904-H921 PolarHBondContact OE1-N 3.2Å; E904-F922 HydrophobicContact CB-CB 4.35Å; E904-F922 HydrophobicContact CB-CD2 4.11Å; E904-F922 HydrophobicContact CB-CG 4.3Å; E904-F922 HydrophobicContact CG-CB 3.63Å; E904-F922 HydrophobicContact CG-CD2 4.31Å; E904-F922 HydrophobicContact CG-CG 4.09Å
905	L	98.5	Very high	98	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-46.6	177.1	-79.7	168.5	0	0	0	111.9	L842 L845 K846 L849 I875 C901 C902 N907 A908 L909	L842-L905 HydrophobicContact CD1-CD2 3.82Å; L845-L905 HydrophobicContact CB-CD2 3.6Å; L845-L905 HydrophobicContact CB-CG 4.2Å; L845-L905 HydrophobicContact CD1-CD2 4.27Å; K846-L905 HydrophobicContact CG-CD2 4.04Å; L849-L905 HydrophobicContact CB-CD1 4.2Å; L849-L905 HydrophobicContact CD1-CD1 3.59Å; L849-L905 HydrophobicContact CG-CD1 4.47Å; I875-L905 HydrophobicContact CD1-CD1 4.36Å; I875-L905 HydrophobicContact CG2-CB 4.17Å; I875-L905 HydrophobicContact CG2-CD1 3.99Å; C901-L905 WeakPolarHBondContact O-CB 3.36Å; C901-L905 PolarHBondContact O-N 2.87Å; C902-L905 PolarHBondContact O-N 3.22Å; L905-N907 VanDerWaalsContact C-N 3.28Å; L905-N907 PolarHBondContact O-N 3.29Å; L905-A908 PolarHBondContact O-N 2.79Å; L905-L909 WeakPolarHBondContact O-CB 3.14Å; L905-L909 VanDerWaalsContact O-CG 3.23Å; L905-L909 WeakPolarHBondContact O-CG 3.39Å; L905-L909 PolarHBondContact O-N 3.26Å
906	K	98.2	Very high	98.1	Very high	56 Å²	56	36.4 Å²	36.4	24%	0.243	21%	0.213	C	C	.	.	H	α-helix	trans	-58.2	-44.2	177.1	-175.8	-91.7	169.8	179	0	111	A879 E880 C902 M903 S910	A879-K906 HydrophobicContact CB-CB 3.71Å; A879-K906 HydrophobicContact CB-CG 4.14Å; E880-K906 WeakPolarHBondContact OE1-CE 3.48Å; C902-K906 WeakPolarHBondContact O-CB 3.32Å; C902-K906 PolarHBondContact O-N 3.49Å; M903-K906 PolarHBondContact O-N 3.29Å; K906-S910 VanDerWaalsContact O-CB 3.28Å; K906-S910 WeakPolarHBondContact O-CB 3.46Å; K906-S910 PolarHBondContact O-N 2.91Å; K906-S910 PolarHBondContact O-OG 3.37Å
907	N	98.2	Very high	98.1	Very high	70 Å²	70	39.2 Å²	39.2	37%	0.374	23%	0.232	S	C	.	.	H	α-helix	trans	-66.6	-41.7	179.4	-69.4	-23.4	0	0	0	112.1	M903 E904 L905 S910 H911 Y918	M903-N907 WeakPolarHBondContact O-CB 3.34Å; M903-N907 PolarHBondContact O-N 3.13Å; M903-N907 PolarHBondContact O-ND2 3.04Å; M903-N907 VanDerWaalsContact O-ND2 3.13Å; E904-N907 PolarHBondContact O-N 3.04Å; L905-N907 VanDerWaalsContact C-N 3.28Å; L905-N907 PolarHBondContact O-N 3.29Å; N907-S910 PolarHBondContact O-N 2.95Å; N907-H911 PolarHBondContact O-N 3.18Å; N907-Y918 HydrophobicContact CB-CE2 3.84Å; N907-Y918 WeakPolarHBondContact CB-OH 3.47Å
908	A	98.3	Very high	98.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-48.4	175.6	0	0	0	0	0	112	L837 L842 E904 L905 S910 H911 P915 Y918	L837-A908 HydrophobicContact CD1-CB 3.64Å; L842-A908 HydrophobicContact CD1-CB 4.28Å; E904-A908 WeakPolarHBondContact O-CB 3.43Å; E904-A908 PolarHBondContact O-N 3.1Å; L905-A908 PolarHBondContact O-N 2.79Å; A908-S910 VanDerWaalsContact C-N 3.27Å; A908-S910 PolarHBondContact O-N 3.34Å; A908-H911 VanDerWaalsContact O-CB 3.29Å; A908-H911 WeakPolarHBondContact O-CB 3.29Å; A908-H911 PolarHBondContact O-N 2.86Å; A908-P915 VanDerWaalsContact O-CA 3.32Å; A908-P915 WeakPolarHBondContact O-CA 3.23Å; A908-Y918 HydrophobicContact CB-CD1 3.56Å; A908-Y918 HydrophobicContact CB-CE1 4.07Å; A908-Y918 HydrophobicContact CB-CG 3.97Å
909	L	98	Very high	98.1	Very high	68 Å²	68	44 Å²	44	36%	0.356	26%	0.258	S	S	.	.	H	α-helix	trans	-64.9	-30.9	179.6	-69.7	169.1	0	0	0	112.7	L842 M872 L905 H911	L842-L909 HydrophobicContact CD1-CD2 4.15Å; L842-L909 HydrophobicContact CD1-CG 4.38Å; L842-L909 HydrophobicContact CD2-CD2 3.94Å; M872-L909 HydrophobicContact CE-CD1 4.18Å; M872-L909 HydrophobicContact SD-CD1 3.59Å; M872-L909 VanDerWaalsContact SD-CD1 3.59Å; L905-L909 WeakPolarHBondContact O-CB 3.14Å; L905-L909 VanDerWaalsContact O-CG 3.23Å; L905-L909 WeakPolarHBondContact O-CG 3.39Å; L905-L909 PolarHBondContact O-N 3.26Å; L909-H911 VanDerWaalsContact C-N 3.33Å
910	S	97.5	Very high	98.1	Very high	73 Å²	73	44 Å²	44	51%	0.51	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2.3	179	-50.5	0	0	0	0	113.4	K906 N907 A908	K906-S910 VanDerWaalsContact O-CB 3.28Å; K906-S910 WeakPolarHBondContact O-CB 3.46Å; K906-S910 PolarHBondContact O-N 2.91Å; K906-S910 PolarHBondContact O-OG 3.37Å; N907-S910 PolarHBondContact O-N 2.95Å; A908-S910 VanDerWaalsContact C-N 3.27Å; A908-S910 PolarHBondContact O-N 3.34Å
911	H	97.8	Very high	98.1	Very high	55 Å²	55	46 Å²	46	26%	0.255	27%	0.267	S	S	.	.			trans	-70	129.6	-173.9	-172.6	-99.2	0	0	0	111.1	N907 A908 L909 S913 G914 Y918	N907-H911 PolarHBondContact O-N 3.18Å; A908-H911 VanDerWaalsContact O-CB 3.29Å; A908-H911 WeakPolarHBondContact O-CB 3.29Å; A908-H911 PolarHBondContact O-N 2.86Å; L909-H911 VanDerWaalsContact C-N 3.33Å; H911-S913 VanDerWaalsContact C-N 3.26Å; H911-S913 PolarHBondContact O-N 2.95Å; H911-S913 VanDerWaalsContact O-N 3.12Å; H911-G914 PolarHBondContact ND1-O 3.46Å; H911-G914 VanDerWaalsContact ND1-O 3.08Å; H911-G914 WeakPolarHBondContact O-CA 3.29Å; H911-G914 PolarHBondContact O-N 2.85Å; H911-Y918 HydrophobicContact CB-CD2 4.25Å; H911-Y918 AromaticContact CD2-CD2 3.78Å
912	P	97.1	Very high	98.1	Very high	129 Å²	129	46.4 Å²	46.4	84%	0.838	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.2	-171.2	-27.8	34.8	0	0	0	115.3	G914	P912-G914 VanDerWaalsContact C-N 3.31Å
913	S	97.4	Very high	98	Very high	86 Å²	86	46.5 Å²	46.5	60%	0.601	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	20.3	178.4	-51.4	0	0	0	0	112.9	H911 S917	H911-S913 VanDerWaalsContact C-N 3.26Å; H911-S913 PolarHBondContact O-N 2.95Å; H911-S913 VanDerWaalsContact O-N 3.12Å; S913-S917 PolarHBondContact O-OG 3.29Å
914	G	97.1	Very high	98	Very high	26 Å²	26	45.5 Å²	45.5	27%	0.268	27%	0.265	S	S	.	.			trans	79.6	167.1	-174.2	0	0	0	0	0	113.8	H911 P912 E916 S917	H911-G914 PolarHBondContact ND1-O 3.46Å; H911-G914 VanDerWaalsContact ND1-O 3.08Å; H911-G914 WeakPolarHBondContact O-CA 3.29Å; H911-G914 PolarHBondContact O-N 2.85Å; P912-G914 VanDerWaalsContact C-N 3.31Å; G914-E916 PolarHBondContact O-N 2.87Å; G914-S917 PolarHBondContact O-N 3.46Å
915	P	97.6	Very high	97.8	Very high	38 Å²	38	45.3 Å²	45.3	25%	0.247	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-65.6	-33.8	-173.9	24.8	-34	0	0	0	113.4	L837 L842 A908 S917 Y918	L837-P915 WeakPolarHBondContact CD1-O 3.5Å; L842-P915 HydrophobicContact CD1-CB 4.3Å; L842-P915 HydrophobicContact CD2-CB 4Å; L842-P915 HydrophobicContact CD2-CG 3.98Å; A908-P915 VanDerWaalsContact O-CA 3.32Å; A908-P915 WeakPolarHBondContact O-CA 3.23Å; P915-S917 PolarHBondContact O-N 3.37Å; P915-Y918 VanDerWaalsContact O-CB 3.26Å; P915-Y918 WeakPolarHBondContact O-CB 3.34Å; P915-Y918 PolarHBondContact O-N 2.92Å
916	E	98.1	Very high	97.6	Very high	113 Å²	113	45.4 Å²	45.4	53%	0.528	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-60.8	-31.7	-179.1	-56.7	-175.1	-167.5	0	0	112.9	L837 G838 G914 Y918	L837-E916 PolarHBondContact N-O 3.32Å; G838-E916 PolarHBondContact N-O 3.26Å; G838-E916 WeakPolarHBondContact O-CG 3.49Å; G914-E916 PolarHBondContact O-N 2.87Å; E916-Y918 VanDerWaalsContact C-N 3.34Å
917	S	98.4	Very high	97.3	Very high	59 Å²	59	46.4 Å²	46.4	41%	0.413	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-83	-10.9	179.5	-61.1	0	0	0	0	113.3	S913 G914 P915 V919	S913-S917 PolarHBondContact O-OG 3.29Å; G914-S917 PolarHBondContact O-N 3.46Å; P915-S917 PolarHBondContact O-N 3.37Å; S917-V919 PolarHBondContact O-N 3.48Å
918	Y	98.6	Very high	96.6	Very high	37 Å²	37	43.3 Å²	43.3	15%	0.145	26%	0.257	C	S	.	.			trans	-69	122.5	-178.1	176.5	-109.4	0	0	0	110.9	P836 L837 E904 N907 A908 H911 P915 E916 S920	P836-Y918 CarbonylContact C-O 3.57Å; P836-Y918 VanDerWaalsContact CA-O 3.29Å; P836-Y918 WeakPolarHBondContact CA-O 3.5Å; L837-Y918 HydrophobicContact CD1-CD1 4.02Å; L837-Y918 HydrophobicContact CG-CD1 4.23Å; L837-Y918 PolarHBondContact N-O 3.33Å; E904-Y918 HydrophobicContact CG-CE1 4.22Å; E904-Y918 WeakPolarHBondContact OE1-CE1 3.41Å; E904-Y918 PolarHBondContact OE2-OH 3.44Å; N907-Y918 HydrophobicContact CB-CE2 3.84Å; N907-Y918 WeakPolarHBondContact CB-OH 3.47Å; A908-Y918 HydrophobicContact CB-CD1 3.56Å; A908-Y918 HydrophobicContact CB-CE1 4.07Å; A908-Y918 HydrophobicContact CB-CG 3.97Å; H911-Y918 HydrophobicContact CB-CD2 4.25Å; H911-Y918 AromaticContact CD2-CD2 3.78Å; P915-Y918 VanDerWaalsContact O-CB 3.26Å; P915-Y918 WeakPolarHBondContact O-CB 3.34Å; P915-Y918 PolarHBondContact O-N 2.92Å; E916-Y918 VanDerWaalsContact C-N 3.34Å; Y918-S920 PolarHBondContact O-N 2.84Å; Y918-S920 VanDerWaalsContact O-N 3.16Å
919	V	98.4	Very high	95.8	Very high	68 Å²	68	44.7 Å²	44.7	41%	0.412	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	98.7	177.9	-179.6	0	0	0	0	109.6	P836 S917	P836-V919 HydrophobicContact CG-CG2 4.21Å; S917-V919 PolarHBondContact O-N 3.48Å
920	S	98.4	Very high	95.2	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.007	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	135.9	180	180	0	0	0	0	111.9	G834 L835 L837 E904 Y918 F922 H1179	G834-S920 CarbonylContact C-O 3.57Å; G834-S920 VanDerWaalsContact CA-O 3.23Å; G834-S920 WeakPolarHBondContact CA-O 3.46Å; L835-S920 PolarHBondContact N-O 2.84Å; L835-S920 PolarHBondContact O-N 2.57Å; L837-S920 VanDerWaalsContact CD2-CB 3.49Å; E904-S920 VanDerWaalsContact OE1-CA 3.25Å; E904-S920 WeakPolarHBondContact OE1-CA 2.97Å; E904-S920 WeakPolarHBondContact OE1-CB 3.22Å; E904-S920 PolarHBondContact OE1-OG 2.91Å; Y918-S920 PolarHBondContact O-N 2.84Å; Y918-S920 VanDerWaalsContact O-N 3.16Å; S920-F922 PolarHBondContact OG-N 3.12Å; S920-H1179 PolarHBondContact O-ND1 3.29Å
921	H	98	Very high	94.9	Very high	43 Å²	43	38.6 Å²	38.6	20%	0.199	23%	0.229	C	C	.	.			trans	-103.7	-6.2	172.4	-72.4	-92.9	0	0	0	112.3	K715 V830 F831 A832 G834 E904	K715-H921 WeakPolarHBondContact CE-ND1 3.32Å; K715-H921 PolarHBondContact NZ-CD2 3.1Å; K715-H921 PolarHBondContact NZ-CE1 2.77Å; K715-H921 VanDerWaalsContact NZ-CG 3.29Å; K715-H921 PolarHBondContact NZ-ND1 2.99Å; K715-H921 PolarHBondContact NZ-NE2 3.1Å; V830-H921 HydrophobicContact CB-CB 4.37Å; V830-H921 HydrophobicContact CG2-CB 4.3Å; F831-H921 WeakPolarHBondContact CB-O 3.45Å; F831-H921 PolarHBondContact N-O 3.4Å; F831-H921 WeakPolarHBondContact O-CB 3.46Å; F831-H921 PolarHBondContact O-ND1 3.22Å; A832-H921 PolarHBondContact O-CE1 3.03Å; A832-H921 PolarHBondContact O-ND1 3.17Å; G834-H921 VanDerWaalsContact CA-CE1 3.49Å; G834-H921 WeakPolarHBondContact CA-CE1 3.37Å; G834-H921 PolarHBondContact N-CE1 2.79Å; G834-H921 PolarHBondContact N-ND1 2.81Å; E904-H921 PolarHBondContact OE1-N 3.2Å
922	F	98.3	Very high	94.5	Very high	9 Å²	9	36.1 Å²	36.1	4%	0.039	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-73.9	128.2	-170.2	-163.4	-88.6	0	0	0	111.2	L845 H848 A900 C901 E904 S920	L845-F922 HydrophobicContact CD2-CB 4.46Å; L845-F922 HydrophobicContact CD2-CD1 4.08Å; H848-F922 AromaticContact CD2-CE1 3.61Å; H848-F922 AromaticContact NE2-CE1 3.6Å; A900-F922 HydrophobicContact CB-CE2 3.75Å; A900-F922 HydrophobicContact CB-CZ 4.48Å; C901-F922 HydrophobicContact CB-CE1 4.17Å; C901-F922 HydrophobicContact CB-CE2 4.21Å; C901-F922 HydrophobicContact CB-CZ 3.69Å; E904-F922 HydrophobicContact CB-CB 4.35Å; E904-F922 HydrophobicContact CB-CD2 4.11Å; E904-F922 HydrophobicContact CB-CG 4.3Å; E904-F922 HydrophobicContact CG-CB 3.63Å; E904-F922 HydrophobicContact CG-CD2 4.31Å; E904-F922 HydrophobicContact CG-CG 4.09Å; S920-F922 PolarHBondContact OG-N 3.12Å
923	P	97.9	Very high	94.3	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.019	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	127.3	175	29.3	-31.9	0	0	0	110.6	F831 W1177	F831-P923 HydrophobicContact CD2-CB 4.24Å; F831-P923 HydrophobicContact CE2-CB 3.7Å; F831-P923 HydrophobicContact CZ-CB 3.87Å; P923-W1177 HydrophobicContact CB-CD2 4.5Å; P923-W1177 HydrophobicContact CB-CE3 3.85Å; P923-W1177 HydrophobicContact CB-CZ3 4.46Å; P923-W1177 HydrophobicContact CG-CE3 4.27Å; P923-W1177 HydrophobicContact CG-CZ3 4.4Å
924	V	98	Very high	94.1	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.1	171.2	177.1	0	0	0	0	109.3	L845 H848 W1177 T1178 A1180 V1183	L845-V924 HydrophobicContact CD2-CG2 3.9Å; H848-V924 HydrophobicContact CB-CG1 4.11Å; V924-W1177 WeakPolarHBondContact O-CA 3.42Å; V924-T1178 PolarHBondContact N-O 3.28Å; V924-T1178 PolarHBondContact O-N 3.02Å; V924-A1180 HydrophobicContact CG2-CB 3.68Å; V924-V1183 HydrophobicContact CB-CG2 3.89Å; V924-V1183 HydrophobicContact CG1-CG2 3.67Å
925	H	94.3	Very high	94.1	Very high	18 Å²	18	24.8 Å²	24.8	8%	0.083	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	136.1	-177.2	-52.2	163.9	0	0	0	110.7	H848 Q897 W1177	H848-H925 AromaticContact CE1-CG 3.54Å; H848-H925 AromaticContact CE1-ND1 3.58Å; H848-H925 PolarHBondContact ND1-N 2.99Å; Q897-H925 PolarHBondContact OE1-CE1 3.45Å; Q897-H925 VanDerWaalsContact OE1-CE1 3.25Å; H925-W1177 AromaticContact CD2-CD1 3.41Å; H925-W1177 VanDerWaalsContact CD2-CD1 3.41Å; H925-W1177 AromaticContact CD2-CD2 3.32Å; H925-W1177 AromaticContact CD2-CE2 3.27Å; H925-W1177 AromaticContact CD2-CE3 3.92Å; H925-W1177 AromaticContact CD2-CG 3.46Å; H925-W1177 VanDerWaalsContact CD2-CG 3.46Å; H925-W1177 AromaticContact CD2-CZ2 3.86Å; H925-W1177 AromaticContact CD2-NE1 3.35Å; H925-W1177 PolarHBondContact CD2-NE1 2.83Å; H925-W1177 VanDerWaalsContact CD2-NE1 3.35Å; H925-W1177 AromaticContact CE1-CE2 3.86Å; H925-W1177 AromaticContact CE1-CH2 4Å; H925-W1177 AromaticContact CE1-CZ2 3.65Å; H925-W1177 AromaticContact CG-CD1 3.7Å; H925-W1177 AromaticContact CG-CE2 3.73Å; H925-W1177 AromaticContact CG-NE1 3.44Å; H925-W1177 AromaticContact NE2-CD2 3.52Å; H925-W1177 AromaticContact NE2-CE2 3.37Å; H925-W1177 AromaticContact NE2-CE3 3.7Å; H925-W1177 AromaticContact NE2-CH2 3.64Å; H925-W1177 AromaticContact NE2-CZ2 3.45Å; H925-W1177 WeakPolarHBondContact NE2-CZ2 3.29Å; H925-W1177 AromaticContact NE2-CZ3 3.75Å; H925-W1177 AromaticContact NE2-NE1 3.91Å
926	Q	94.7	Very high	93.9	Very high	2 Å²	2	23 Å²	23	1%	0.009	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	113	169	-61.2	-62.4	-84.8	0	0	107.7	C1175 F1176 V1183 L1186 N1187 F1261	Q926-C1175 WeakPolarHBondContact O-CA 3.46Å; Q926-F1176 PolarHBondContact N-O 3.39Å; Q926-F1176 PolarHBondContact O-N 2.98Å; Q926-V1183 VanDerWaalsContact CD-CG1 3.45Å; Q926-V1183 HydrophobicContact CG-CG1 4Å; Q926-L1186 HydrophobicContact CB-CD2 4.41Å; Q926-L1186 HydrophobicContact CG-CD2 3.99Å; Q926-N1187 PolarHBondContact OE1-ND2 2.98Å; Q926-N1187 PolarHBondContact OE1-OD1 3.12Å; Q926-F1261 HydrophobicContact CB-CB 4.24Å; Q926-F1261 HydrophobicContact CB-CD1 4.38Å; Q926-F1261 WeakPolarHBondContact O-CD1 3.48Å
927	D	90.5	Very high	93.8	Very high	76 Å²	76	17.6 Å²	17.6	41%	0.406	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.6	-173.6	-164.7	24.3	0	0	0	111.1	S929 F1261 S1262	D927-S929 PolarHBondContact O-N 3.38Å; D927-F1261 WeakPolarHBondContact O-CA 3.29Å; D927-S1262 PolarHBondContact N-O 2.85Å; D927-S1262 VanDerWaalsContact N-O 3.13Å; D927-S1262 PolarHBondContact O-N 2.92Å
928	G	85	Confident	93.7	Very high	6 Å²	6	14.8 Å²	14.8	6%	0.062	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-69.1	128.5	175	0	0	0	0	0	111	C930 D1174	G928-C930 VanDerWaalsContact C-N 3.35Å; G928-C930 PolarHBondContact O-N 3.49Å; G928-D1174 PolarHBondContact N-O 3.12Å
929	S	80.6	Confident	93.6	Very high	29 Å²	29	13.4 Å²	13.4	20%	0.203	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-45.4	-175.3	63	0	0	0	0	113.8	D927 Q934 V949 N950 Y961	D927-S929 PolarHBondContact O-N 3.38Å; S929-Q934 PolarHBondContact OG-NE2 3.37Å; S929-Q934 VanDerWaalsContact OG-NE2 3.14Å; S929-V949 PolarHBondContact OG-O 3.14Å; S929-N950 WeakPolarHBondContact CB-ND2 3.17Å; S929-N950 PolarHBondContact OG-ND2 3.32Å; S929-Y961 WeakPolarHBondContact O-CE2 3.42Å; S929-Y961 PolarHBondContact O-OH 3.4Å
930	C	85.6	Confident	93.4	Very high	8 Å²	8	10.3 Å²	10.3	5%	0.054	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-154.7	72.9	168.7	-164	0	0	0	0	110.3	G928 G932 L933 Q934 V949 Y961	G928-C930 VanDerWaalsContact C-N 3.35Å; G928-C930 PolarHBondContact O-N 3.49Å; C930-G932 PolarHBondContact O-N 3.29Å; C930-L933 HydrophobicContact CB-CB 4.38Å; C930-L933 PolarHBondContact O-N 2.99Å; C930-Q934 WeakPolarHBondContact O-CG 3.26Å; C930-Q934 PolarHBondContact O-N 3.15Å; C930-V949 HydrophobicContact CB-CB 4.49Å; C930-V949 HydrophobicContact CB-CG1 4.05Å; C930-Y961 PolarHBondContact SG-OH 3.49Å; C930-Y961 VanDerWaalsContact SG-OH 3.32Å
931	N	90.3	Very high	93.3	Very high	5 Å²	5	12 Å²	12	3%	0.027	6%	0.064	C	C	.	.	H	α-helix	trans	-46.7	-51.3	-169.7	-179.2	-67.7	0	0	0	114	L933 Q934 H935 D1151 D1174	N931-L933 VanDerWaalsContact C-N 3.31Å; N931-L933 PolarHBondContact O-N 3.08Å; N931-Q934 WeakPolarHBondContact O-CA 3.3Å; N931-Q934 VanDerWaalsContact O-CB 3.3Å; N931-Q934 WeakPolarHBondContact O-CB 3.31Å; N931-Q934 PolarHBondContact O-N 3.12Å; N931-H935 PolarHBondContact O-CD2 2.98Å; N931-H935 VanDerWaalsContact O-CD2 3.23Å; N931-H935 PolarHBondContact O-N 3.27Å; N931-H935 PolarHBondContact OD1-CD2 3.46Å; N931-H935 PolarHBondContact OD1-NE2 3.48Å; N931-D1151 VanDerWaalsContact CG-CG 3.48Å; N931-D1151 PolarHBondContact ND2-OD1 3.26Å; N931-D1151 PolarHBondContact OD1-OD1 3Å; N931-D1151 PolarHBondContact OD1-OD2 2.77Å; N931-D1151 VanDerWaalsContact OD1-OD2 3.14Å; N931-D1174 HydrophobicContact CB-CB 4.07Å
932	G	90.9	Very high	93.2	Very high	2 Å²	2	10.9 Å²	10.9	2%	0.021	6%	0.059	C	C	.	.	H	α-helix	trans	-58.3	-38.1	180	0	0	0	0	0	114.2	C930 Y936	C930-G932 PolarHBondContact O-N 3.29Å; G932-Y936 VanDerWaalsContact O-CD2 3.25Å; G932-Y936 WeakPolarHBondContact O-CD2 3.35Å; G932-Y936 PolarHBondContact O-N 3.3Å
933	L	91.7	Very high	93	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-76.4	-30.8	174.9	-75.3	174.1	0	0	0	112.3	C930 N931 H935 Y936 A937 V949 L960 V1003 F1049	C930-L933 HydrophobicContact CB-CB 4.38Å; C930-L933 PolarHBondContact O-N 2.99Å; N931-L933 VanDerWaalsContact C-N 3.31Å; N931-L933 PolarHBondContact O-N 3.08Å; L933-H935 VanDerWaalsContact C-N 3.32Å; L933-H935 PolarHBondContact O-N 3.23Å; L933-Y936 PolarHBondContact O-N 2.91Å; L933-A937 VanDerWaalsContact O-CB 3.3Å; L933-A937 WeakPolarHBondContact O-CB 3.5Å; L933-A937 PolarHBondContact O-N 3.44Å; L933-V949 HydrophobicContact CB-CG1 3.8Å; L933-V949 HydrophobicContact CD1-CG1 4.38Å; L933-L960 HydrophobicContact CD1-CD2 3.17Å; L933-V1003 HydrophobicContact CB-CG1 4.25Å; L933-V1003 HydrophobicContact CD1-CG1 4.34Å; L933-V1003 HydrophobicContact CD2-CG1 3.09Å; L933-V1003 HydrophobicContact CG-CG1 3.27Å; L933-F1049 HydrophobicContact CB-CE1 4.11Å; L933-F1049 HydrophobicContact CB-CZ 4.38Å; L933-F1049 HydrophobicContact CD1-CD2 4.17Å; L933-F1049 HydrophobicContact CD1-CE1 4.11Å; L933-F1049 HydrophobicContact CD1-CE2 3.7Å; L933-F1049 HydrophobicContact CD1-CZ 3.67Å; L933-F1049 HydrophobicContact CD2-CB 4.37Å; L933-F1049 HydrophobicContact CD2-CD1 3.7Å; L933-F1049 HydrophobicContact CD2-CD2 4.09Å; L933-F1049 HydrophobicContact CD2-CE1 3.91Å; L933-F1049 HydrophobicContact CD2-CE2 4.31Å; L933-F1049 HydrophobicContact CD2-CG 3.78Å; L933-F1049 HydrophobicContact CD2-CZ 4.24Å; L933-F1049 HydrophobicContact CG-CE1 4.27Å; L933-F1049 HydrophobicContact CG-CZ 4.32Å
934	Q	94.6	Very high	92.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.3	-46.4	171.3	-67.6	173.6	-38.1	0	0	110.2	S929 C930 N931 Y936 A937 A938 V949 L951 F1194 F1260	S929-Q934 PolarHBondContact OG-NE2 3.37Å; S929-Q934 VanDerWaalsContact OG-NE2 3.14Å; C930-Q934 WeakPolarHBondContact O-CG 3.26Å; C930-Q934 PolarHBondContact O-N 3.15Å; N931-Q934 WeakPolarHBondContact O-CA 3.3Å; N931-Q934 VanDerWaalsContact O-CB 3.3Å; N931-Q934 WeakPolarHBondContact O-CB 3.31Å; N931-Q934 PolarHBondContact O-N 3.12Å; Q934-Y936 PolarHBondContact O-N 2.89Å; Q934-A937 PolarHBondContact O-N 2.95Å; Q934-A938 WeakPolarHBondContact O-CB 3.19Å; Q934-A938 PolarHBondContact O-N 3.33Å; Q934-V949 HydrophobicContact CB-CG2 4.28Å; Q934-V949 HydrophobicContact CG-CB 3.79Å; Q934-V949 HydrophobicContact CG-CG2 3.58Å; Q934-V949 WeakPolarHBondContact CG-O 3.35Å; Q934-V949 PolarHBondContact NE2-O 3.49Å; Q934-L951 HydrophobicContact CB-CD1 4.06Å; Q934-L951 HydrophobicContact CB-CD2 4.19Å; Q934-L951 HydrophobicContact CB-CG 4.23Å; Q934-L951 HydrophobicContact CG-CD1 4.37Å; Q934-L951 HydrophobicContact CG-CD2 4.23Å; Q934-L951 HydrophobicContact CG-CG 4.1Å; Q934-L951 WeakPolarHBondContact O-CD1 3.35Å; Q934-F1194 HydrophobicContact CB-CE2 4.35Å; Q934-F1194 HydrophobicContact CB-CZ 4.15Å; Q934-F1260 PolarHBondContact NE2-O 3.49Å
935	H	95.5	Very high	92.4	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.6	-42.8	176.2	-75.1	-80.8	0	0	0	113.1	N931 L933 A938 L939 I1147 D1151 F1194 H1198	N931-H935 PolarHBondContact O-CD2 2.98Å; N931-H935 VanDerWaalsContact O-CD2 3.23Å; N931-H935 PolarHBondContact O-N 3.27Å; N931-H935 PolarHBondContact OD1-CD2 3.46Å; N931-H935 PolarHBondContact OD1-NE2 3.48Å; L933-H935 VanDerWaalsContact C-N 3.32Å; L933-H935 PolarHBondContact O-N 3.23Å; H935-A938 PolarHBondContact O-N 3.06Å; H935-L939 WeakPolarHBondContact O-CB 3.36Å; H935-L939 VanDerWaalsContact O-CG 3.28Å; H935-L939 WeakPolarHBondContact O-CG 3.39Å; H935-L939 PolarHBondContact O-N 2.82Å; H935-I1147 HydrophobicContact CB-CD1 4.33Å; H935-I1147 HydrophobicContact CB-CG2 3.94Å; H935-D1151 WeakPolarHBondContact NE2-CA 3.36Å; H935-D1151 IonicContact NE2-OD1 3.69Å; H935-F1194 AromaticContact CE1-CE2 3.9Å; H935-H1198 AromaticContact CE1-NE2 3.67Å; H935-H1198 AromaticContact CG-NE2 3.82Å; H935-H1198 AromaticContact ND1-CE1 3.33Å; H935-H1198 PolarHBondContact ND1-CE1 3.31Å; H935-H1198 VanDerWaalsContact ND1-CE1 3.33Å; H935-H1198 AromaticContact ND1-NE2 2.99Å; H935-H1198 PolarHBondContact ND1-NE2 2.9Å
936	Y	94.7	Very high	92.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65	-44.2	175.9	-81.6	-67.3	0	0	0	112.6	G932 L933 Q934 A938 L939 G940 V1003 S1052 I1055 Q1056 I1147	G932-Y936 VanDerWaalsContact O-CD2 3.25Å; G932-Y936 WeakPolarHBondContact O-CD2 3.35Å; G932-Y936 PolarHBondContact O-N 3.3Å; L933-Y936 PolarHBondContact O-N 2.91Å; Q934-Y936 PolarHBondContact O-N 2.89Å; Y936-A938 VanDerWaalsContact C-N 3.26Å; Y936-A938 PolarHBondContact O-N 3.46Å; Y936-L939 PolarHBondContact O-N 3.06Å; Y936-G940 PolarHBondContact O-N 3.38Å; Y936-V1003 HydrophobicContact CD2-CB 4.18Å; Y936-V1003 HydrophobicContact CD2-CG1 3.86Å; Y936-V1003 HydrophobicContact CE2-CB 3.86Å; Y936-V1003 HydrophobicContact CE2-CG1 3.99Å; Y936-V1003 WeakPolarHBondContact CE2-O 3.46Å; Y936-V1003 PolarHBondContact OH-O 3.45Å; Y936-S1052 WeakPolarHBondContact CB-OG 3.35Å; Y936-I1055 HydrophobicContact CD1-CB 4.32Å; Y936-I1055 HydrophobicContact CD1-CD1 4.41Å; Y936-I1055 HydrophobicContact CD1-CG2 4.24Å; Y936-I1055 HydrophobicContact CE1-CB 4.31Å; Y936-I1055 HydrophobicContact CE1-CG2 3.99Å; Y936-Q1056 HydrophobicContact CE1-CG 3.8Å; Y936-Q1056 WeakPolarHBondContact OH-CG 3.42Å; Y936-I1147 HydrophobicContact CD1-CD1 3.96Å; Y936-I1147 HydrophobicContact CD1-CG1 4.44Å; Y936-I1147 HydrophobicContact CD2-CD1 4.27Å; Y936-I1147 HydrophobicContact CD2-CG1 4.18Å; Y936-I1147 HydrophobicContact CE1-CD1 3.74Å; Y936-I1147 HydrophobicContact CE1-CG1 3.86Å; Y936-I1147 HydrophobicContact CE2-CD1 4.09Å; Y936-I1147 HydrophobicContact CE2-CG1 3.58Å; Y936-I1147 HydrophobicContact CG-CD1 4.2Å; Y936-I1147 WeakPolarHBondContact OH-CG1 3.46Å
937	A	94.7	Very high	92.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-40	178.7	0	0	0	0	0	111.2	L933 Q934 R941 D942 A946 V949 L951	L933-A937 VanDerWaalsContact O-CB 3.3Å; L933-A937 WeakPolarHBondContact O-CB 3.5Å; L933-A937 PolarHBondContact O-N 3.44Å; Q934-A937 PolarHBondContact O-N 2.95Å; A937-R941 CarbonylContact O-C 3.58Å; A937-R941 VanDerWaalsContact O-CA 3.31Å; A937-R941 WeakPolarHBondContact O-CA 3.32Å; A937-R941 PolarHBondContact O-N 2.86Å; A937-D942 PolarHBondContact O-N 3.19Å; A937-A946 HydrophobicContact CB-CB 4.31Å; A937-V949 HydrophobicContact CB-CG2 4.47Å; A937-L951 HydrophobicContact CB-CD1 3.96Å
938	A	96.5	Very high	92.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.5	-46.4	175.1	0	0	0	0	0	112.8	Q934 H935 Y936 G940 R941 F1194 H1198 L1251	Q934-A938 WeakPolarHBondContact O-CB 3.19Å; Q934-A938 PolarHBondContact O-N 3.33Å; H935-A938 PolarHBondContact O-N 3.06Å; Y936-A938 VanDerWaalsContact C-N 3.26Å; Y936-A938 PolarHBondContact O-N 3.46Å; A938-G940 PolarHBondContact O-N 3.48Å; A938-R941 WeakPolarHBondContact O-CD 3.33Å; A938-R941 PolarHBondContact O-N 3.47Å; A938-R941 PolarHBondContact O-NH1 3.16Å; A938-F1194 HydrophobicContact CB-CE1 3.66Å; A938-F1194 HydrophobicContact CB-CZ 3.7Å; A938-H1198 HydrophobicContact CB-CB 3.97Å; A938-H1198 VanDerWaalsContact CB-CG 3.48Å; A938-L1251 HydrophobicContact CB-CD2 4.05Å
939	L	96.4	Very high	92.7	Very high	9 Å²	9	22 Å²	22	5%	0.047	10%	0.103	C	C	.	.	H	α-helix	trans	-59.9	-44.6	177.2	-77.1	172.3	0	0	0	112.4	H935 Y936 R941 I1055 F1146 I1147 L1150 I1202 L1203	H935-L939 WeakPolarHBondContact O-CB 3.36Å; H935-L939 VanDerWaalsContact O-CG 3.28Å; H935-L939 WeakPolarHBondContact O-CG 3.39Å; H935-L939 PolarHBondContact O-N 2.82Å; Y936-L939 PolarHBondContact O-N 3.06Å; L939-R941 VanDerWaalsContact C-N 3.34Å; L939-I1055 HydrophobicContact CB-CD1 3.98Å; L939-F1146 HydrophobicContact CD1-CE1 4.47Å; L939-I1147 HydrophobicContact CD1-CD1 3.6Å; L939-L1150 HydrophobicContact CD1-CD1 3.76Å; L939-L1150 HydrophobicContact CD2-CD1 4.05Å; L939-L1150 HydrophobicContact CG-CD1 4.2Å; L939-I1202 HydrophobicContact CD2-CB 3.89Å; L939-I1202 HydrophobicContact CD2-CD1 3.85Å; L939-I1202 HydrophobicContact CD2-CG1 4.44Å; L939-I1202 HydrophobicContact CD2-CG2 3.96Å; L939-L1203 HydrophobicContact CD2-CD2 4.42Å; L939-L1203 HydrophobicContact CD2-CG 4.34Å
940	G	95.6	Very high	93.4	Very high	2 Å²	2	20.8 Å²	20.8	2%	0.021	9%	0.094	C	C	.	.	H	α-helix	trans	-82.3	-8.4	-178.4	0	0	0	0	0	114.5	Y936 A938 D942 S1051 R1246 G1247	Y936-G940 PolarHBondContact O-N 3.38Å; A938-G940 PolarHBondContact O-N 3.48Å; G940-D942 PolarHBondContact O-N 3.39Å; G940-S1051 VanDerWaalsContact CA-OG 3.23Å; G940-S1051 WeakPolarHBondContact CA-OG 3.21Å; G940-R1246 CarbonylContact O-C 3.06Å; G940-R1246 WeakPolarHBondContact O-CA 3.45Å; G940-G1247 PolarHBondContact O-N 3.45Å
941	R	96.3	Very high	93.9	Very high	38 Å²	38	20.4 Å²	20.4	14%	0.143	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	41.3	-168.4	-55.2	-61.4	-164.3	-123.4	5.7	112.1	A937 A938 L939 L943 H1198 R1246 G1247 S1248 F1249 L1251	A937-R941 CarbonylContact O-C 3.58Å; A937-R941 VanDerWaalsContact O-CA 3.31Å; A937-R941 WeakPolarHBondContact O-CA 3.32Å; A937-R941 PolarHBondContact O-N 2.86Å; A938-R941 WeakPolarHBondContact O-CD 3.33Å; A938-R941 PolarHBondContact O-N 3.47Å; A938-R941 PolarHBondContact O-NH1 3.16Å; L939-R941 VanDerWaalsContact C-N 3.34Å; R941-L943 PolarHBondContact O-N 3Å; R941-H1198 PolarHBondContact NH1-O 3.07Å; R941-H1198 PolarHBondContact NH2-O 3.43Å; R941-R1246 HydrophobicContact CB-CB 4.27Å; R941-R1246 HydrophobicContact CG-CB 4.16Å; R941-R1246 HydrophobicContact CG-CG 4.34Å; R941-G1247 WeakPolarHBondContact CB-O 3.48Å; R941-G1247 CarbonylContact O-C 3.5Å; R941-G1247 WeakPolarHBondContact O-CA 3.42Å; R941-S1248 PolarHBondContact O-N 2.72Å; R941-F1249 HydrophobicContact CB-CB 4.22Å; R941-F1249 WeakPolarHBondContact CD-O 3.3Å; R941-F1249 VanDerWaalsContact O-CB 3.28Å; R941-F1249 WeakPolarHBondContact O-CB 3.19Å; R941-F1249 PolarHBondContact O-N 3.01Å; R941-L1251 VanDerWaalsContact CZ-CG 3.47Å
942	D	94.9	Very high	94.1	Very high	18 Å²	18	20.7 Å²	20.7	10%	0.096	9%	0.094	C	C	.	.			trans	-83.6	102.2	-178.1	178.1	5.4	0	0	0	111.1	A937 G940 R944 G945 A946	A937-D942 PolarHBondContact O-N 3.19Å; G940-D942 PolarHBondContact O-N 3.39Å; D942-R944 PolarHBondContact O-N 2.86Å; D942-R944 PolarHBondContact OD1-N 3.34Å; D942-R944 VanDerWaalsContact OD1-N 3.12Å; D942-G945 VanDerWaalsContact CG-N 3.35Å; D942-G945 PolarHBondContact OD1-N 2.95Å; D942-G945 PolarHBondContact OD2-N 2.98Å; D942-A946 WeakPolarHBondContact O-CB 3.39Å; D942-A946 PolarHBondContact O-N 3.35Å
943	L	94.4	Very high	94.2	Very high	65 Å²	65	23.8 Å²	23.8	34%	0.34	12%	0.115	S	C	.	.	H	α-helix	trans	-66	-37.1	-177.3	177.9	61.9	0	0	0	112.4	R941 K947 T952 F1249	R941-L943 PolarHBondContact O-N 3Å; L943-K947 WeakPolarHBondContact O-CG 3.37Å; L943-K947 PolarHBondContact O-N 3.05Å; L943-K947 VanDerWaalsContact O-N 3.14Å; L943-T952 HydrophobicContact CD1-CG2 4.28Å; L943-F1249 HydrophobicContact CB-CB 4.2Å; L943-F1249 HydrophobicContact CD1-CD2 3.98Å
944	R	92	Very high	94.2	Very high	160 Å²	160	26.5 Å²	26.5	60%	0.604	13%	0.128	S	C	*	.	H	α-helix	trans	-69.8	-48.5	-179.8	-177.8	-177.8	179.4	178.8	0	109.6	D942 A946 K947 S948	D942-R944 PolarHBondContact O-N 2.86Å; D942-R944 PolarHBondContact OD1-N 3.34Å; D942-R944 VanDerWaalsContact OD1-N 3.12Å; R944-A946 VanDerWaalsContact C-N 3.32Å; R944-A946 PolarHBondContact O-N 3.22Å; R944-K947 PolarHBondContact O-N 2.86Å; R944-S948 PolarHBondContact O-N 3.31Å; R944-S948 PolarHBondContact O-OG 2.88Å
945	G	91.1	Very high	94	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57	-45.9	174.1	0	0	0	0	0	111.9	D942 K947 S948 V949	D942-G945 VanDerWaalsContact CG-N 3.35Å; D942-G945 PolarHBondContact OD1-N 2.95Å; D942-G945 PolarHBondContact OD2-N 2.98Å; G945-K947 PolarHBondContact O-N 3.5Å; G945-S948 PolarHBondContact O-N 2.97Å; G945-S948 VanDerWaalsContact O-N 3.15Å; G945-V949 WeakPolarHBondContact O-CG2 3.49Å; G945-V949 PolarHBondContact O-N 3Å
946	A	93.9	Very high	93.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-56.9	-43.2	179.1	0	0	0	0	0	113.1	A937 D942 R944 V949 N950 L951 T952 F1249	A937-A946 HydrophobicContact CB-CB 4.31Å; D942-A946 WeakPolarHBondContact O-CB 3.39Å; D942-A946 PolarHBondContact O-N 3.35Å; R944-A946 VanDerWaalsContact C-N 3.32Å; R944-A946 PolarHBondContact O-N 3.22Å; A946-V949 CarbonylContact O-C 3.56Å; A946-V949 PolarHBondContact O-N 2.97Å; A946-N950 PolarHBondContact O-N 3.22Å; A946-L951 HydrophobicContact CB-CB 3.88Å; A946-L951 HydrophobicContact CB-CD1 4.23Å; A946-L951 WeakPolarHBondContact O-CB 3.29Å; A946-L951 PolarHBondContact O-N 2.99Å; A946-T952 HydrophobicContact CB-CG2 4.37Å; A946-F1249 HydrophobicContact CB-CD1 3.94Å; A946-F1249 HydrophobicContact CB-CD2 3.72Å; A946-F1249 HydrophobicContact CB-CE1 3.96Å; A946-F1249 HydrophobicContact CB-CE2 3.76Å; A946-F1249 HydrophobicContact CB-CG 3.84Å; A946-F1249 HydrophobicContact CB-CZ 3.88Å
947	K	93.3	Very high	93.7	Very high	99 Å²	99	36.7 Å²	36.7	43%	0.43	19%	0.187	S	C	.	.	H	α-helix	trans	-59.8	-49.2	174.3	-73.5	178.2	178	-170.4	0	111.6	L943 R944 G945 V949 N950 T952 Q958	L943-K947 WeakPolarHBondContact O-CG 3.37Å; L943-K947 PolarHBondContact O-N 3.05Å; L943-K947 VanDerWaalsContact O-N 3.14Å; R944-K947 PolarHBondContact O-N 2.86Å; G945-K947 PolarHBondContact O-N 3.5Å; K947-V949 PolarHBondContact O-N 3.19Å; K947-V949 VanDerWaalsContact O-N 3.11Å; K947-N950 PolarHBondContact O-N 3.23Å; K947-T952 HydrophobicContact CG-CG2 4.07Å; K947-T952 WeakPolarHBondContact CG-OG1 3.45Å; K947-Q958 VanDerWaalsContact O-CG 3.31Å; K947-Q958 WeakPolarHBondContact O-CG 3.42Å
948	S	91.9	Very high	93.6	Very high	22 Å²	22	39 Å²	39	15%	0.154	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-17.6	-178.3	-64.5	0	0	0	0	114.6	R944 G945	R944-S948 PolarHBondContact O-N 3.31Å; R944-S948 PolarHBondContact O-OG 2.88Å; G945-S948 PolarHBondContact O-N 2.97Å; G945-S948 VanDerWaalsContact O-N 3.15Å
949	V	92.7	Very high	93.4	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	25.8	-179.5	-55.6	0	0	0	0	113.2	S929 C930 L933 Q934 A937 G945 A946 K947 L951 L960 F1049	S929-V949 PolarHBondContact OG-O 3.14Å; C930-V949 HydrophobicContact CB-CB 4.49Å; C930-V949 HydrophobicContact CB-CG1 4.05Å; L933-V949 HydrophobicContact CB-CG1 3.8Å; L933-V949 HydrophobicContact CD1-CG1 4.38Å; Q934-V949 HydrophobicContact CB-CG2 4.28Å; Q934-V949 HydrophobicContact CG-CB 3.79Å; Q934-V949 HydrophobicContact CG-CG2 3.58Å; Q934-V949 WeakPolarHBondContact CG-O 3.35Å; Q934-V949 PolarHBondContact NE2-O 3.49Å; A937-V949 HydrophobicContact CB-CG2 4.47Å; G945-V949 WeakPolarHBondContact O-CG2 3.49Å; G945-V949 PolarHBondContact O-N 3Å; A946-V949 CarbonylContact O-C 3.56Å; A946-V949 PolarHBondContact O-N 2.97Å; K947-V949 PolarHBondContact O-N 3.19Å; K947-V949 VanDerWaalsContact O-N 3.11Å; V949-L951 VanDerWaalsContact C-N 3.31Å; V949-L951 HydrophobicContact CG2-CD1 4.07Å; V949-L951 HydrophobicContact CG2-CG 4.09Å; V949-L951 PolarHBondContact O-N 3.18Å; V949-L960 HydrophobicContact CG1-CD2 4.32Å; V949-F1049 HydrophobicContact CG1-CE1 4.19Å; V949-F1049 HydrophobicContact CG1-CZ 3.88Å
950	N	95.3	Very high	93.1	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	35.3	172.8	-56.1	-64.2	0	0	0	114.7	S929 A946 K947 T952 Q958 A1257 Y1259 F1260	S929-N950 WeakPolarHBondContact CB-ND2 3.17Å; S929-N950 PolarHBondContact OG-ND2 3.32Å; A946-N950 PolarHBondContact O-N 3.22Å; K947-N950 PolarHBondContact O-N 3.23Å; N950-T952 VanDerWaalsContact C-N 3.33Å; N950-Q958 PolarHBondContact ND2-O 3.46Å; N950-Q958 WeakPolarHBondContact OD1-CB 3.28Å; N950-Q958 PolarHBondContact OD1-N 3.16Å; N950-A1257 WeakPolarHBondContact O-CB 3.44Å; N950-Y1259 VanDerWaalsContact CB-O 3.26Å; N950-Y1259 WeakPolarHBondContact CB-O 2.93Å; N950-F1260 VanDerWaalsContact O-CA 3.32Å; N950-F1260 WeakPolarHBondContact O-CA 3.32Å
951	L	95.8	Very high	92.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.			trans	-88.8	-2.3	171.1	-73.8	176.8	0	0	0	113.2	Q934 A937 A946 V949 F1194 F1249 V1254 F1260	Q934-L951 HydrophobicContact CB-CD1 4.06Å; Q934-L951 HydrophobicContact CB-CD2 4.19Å; Q934-L951 HydrophobicContact CB-CG 4.23Å; Q934-L951 HydrophobicContact CG-CD1 4.37Å; Q934-L951 HydrophobicContact CG-CD2 4.23Å; Q934-L951 HydrophobicContact CG-CG 4.1Å; Q934-L951 WeakPolarHBondContact O-CD1 3.35Å; A937-L951 HydrophobicContact CB-CD1 3.96Å; A946-L951 HydrophobicContact CB-CB 3.88Å; A946-L951 HydrophobicContact CB-CD1 4.23Å; A946-L951 WeakPolarHBondContact O-CB 3.29Å; A946-L951 PolarHBondContact O-N 2.99Å; V949-L951 VanDerWaalsContact C-N 3.31Å; V949-L951 HydrophobicContact CG2-CD1 4.07Å; V949-L951 HydrophobicContact CG2-CG 4.09Å; V949-L951 PolarHBondContact O-N 3.18Å; L951-F1194 HydrophobicContact CD1-CE1 4.31Å; L951-F1194 HydrophobicContact CD1-CZ 4.34Å; L951-F1194 HydrophobicContact CD2-CD1 4.22Å; L951-F1194 HydrophobicContact CD2-CE1 3.58Å; L951-F1194 HydrophobicContact CD2-CZ 3.87Å; L951-F1249 HydrophobicContact CB-CE1 4.26Å; L951-F1249 HydrophobicContact CB-CZ 3.76Å; L951-F1249 HydrophobicContact CD1-CE1 4.17Å; L951-F1249 HydrophobicContact CD1-CZ 4.49Å; L951-V1254 HydrophobicContact CB-CG2 4.29Å; L951-V1254 HydrophobicContact CD2-CG1 4.29Å; L951-V1254 HydrophobicContact CD2-CG2 4Å; L951-V1254 WeakPolarHBondContact O-CA 3.08Å; L951-V1254 WeakPolarHBondContact O-CG2 3.47Å; L951-F1260 HydrophobicContact CD2-CD2 3.56Å; L951-F1260 HydrophobicContact CD2-CE2 3.48Å; L951-F1260 VanDerWaalsContact CD2-CE2 3.48Å
952	T	94.9	Very high	92.6	Very high	12 Å²	12	39.3 Å²	39.3	7%	0.074	20%	0.203	C	C	.	.	S	Bend	trans	-121.2	156.7	176.7	57.5	0	0	0	0	110	L943 A946 K947 N950 M954 F1249	L943-T952 HydrophobicContact CD1-CG2 4.28Å; A946-T952 HydrophobicContact CB-CG2 4.37Å; K947-T952 HydrophobicContact CG-CG2 4.07Å; K947-T952 WeakPolarHBondContact CG-OG1 3.45Å; N950-T952 VanDerWaalsContact C-N 3.33Å; T952-M954 PolarHBondContact O-N 2.97Å; T952-F1249 HydrophobicContact CG2-CD2 4.25Å; T952-F1249 HydrophobicContact CG2-CE2 3.69Å
953	S	92.1	Very high	92.4	Very high	67 Å²	67	40.5 Å²	40.5	47%	0.469	21%	0.209	S	C	.	.			trans	-61.1	127.8	168.9	-165.5	0	0	0	0	110.5	K1256	S953-K1256 WeakPolarHBondContact CB-O 3.36Å; S953-K1256 PolarHBondContact OG-O 2.84Å
954	M	91.6	Very high	92.2	Very high	59 Å²	59	37.4 Å²	37.4	29%	0.291	19%	0.193	S	C	.	.			trans	-142.8	147.9	178.2	-66.5	-63.7	-70	0	0	107.9	T952 C956 Q958 Y1259	T952-M954 PolarHBondContact O-N 2.97Å; M954-C956 VanDerWaalsContact C-N 3.28Å; M954-C956 WeakPolarHBondContact CB-O 3.28Å; M954-C956 PolarHBondContact O-N 3.12Å; M954-Q958 HydrophobicContact CE-CG 4.3Å; M954-Q958 HydrophobicContact CG-CG 4.15Å; M954-Y1259 WeakPolarHBondContact O-CE2 3.26Å
955	N	90.9	Very high	92.3	Very high	156 Å²	156	30.9 Å²	30.9	83%	0.834	17%	0.171	S	C	*	.	S	Bend	trans	-66.4	-32.6	-179.3	-65.3	-11.7	0	0	0	112.6	T860 Y1259	T860-N955 WeakPolarHBondContact CG2-O 3.49Å; N955-Y1259 PolarHBondContact O-OH 3.08Å
956	C	92	Very high	92.4	Very high	51 Å²	51	35.9 Å²	35.9	35%	0.345	19%	0.194	S	C	.	.	S	Bend	trans	-132.1	153.5	177.2	62.8	0	0	0	0	110.7	T860 M954 Q958	T860-C956 HydrophobicContact CG2-CB 4.39Å; M954-C956 VanDerWaalsContact C-N 3.28Å; M954-C956 WeakPolarHBondContact CB-O 3.28Å; M954-C956 PolarHBondContact O-N 3.12Å; C956-Q958 PolarHBondContact O-N 3.3Å; C956-Q958 PolarHBondContact O-NE2 2.92Å
957	P	92.5	Very high	92.4	Very high	7 Å²	7	39.7 Å²	39.7	5%	0.045	21%	0.214	C	C	.	.			trans	-65.2	132.3	178.7	22.8	-29.5	0	0	0	111.1	K857 C859 Y1259	K857-P957 VanDerWaalsContact O-CG 3.32Å; K857-P957 WeakPolarHBondContact O-CG 3.29Å; C859-P957 WeakPolarHBondContact O-CD 3.23Å; C859-P957 WeakPolarHBondContact O-CG 3.27Å; P957-Y1259 HydrophobicContact CB-CD1 3.98Å; P957-Y1259 HydrophobicContact CB-CD2 4.12Å; P957-Y1259 HydrophobicContact CB-CG 3.75Å; P957-Y1259 HydrophobicContact CG-CD1 4.21Å; P957-Y1259 HydrophobicContact CG-CE1 4.3Å; P957-Y1259 HydrophobicContact CG-CG 4.39Å
958	Q	92.7	Very high	92.4	Very high	49 Å²	49	35 Å²	35	23%	0.229	19%	0.193	C	C	.	.			trans	-80.7	138.7	174.2	-54.4	-56.9	-68.9	0	0	109.9	K947 N950 M954 C956	K947-Q958 VanDerWaalsContact O-CG 3.31Å; K947-Q958 WeakPolarHBondContact O-CG 3.42Å; N950-Q958 PolarHBondContact ND2-O 3.46Å; N950-Q958 WeakPolarHBondContact OD1-CB 3.28Å; N950-Q958 PolarHBondContact OD1-N 3.16Å; M954-Q958 HydrophobicContact CE-CG 4.3Å; M954-Q958 HydrophobicContact CG-CG 4.15Å; C956-Q958 PolarHBondContact O-N 3.3Å; C956-Q958 PolarHBondContact O-NE2 2.92Å
959	D	91.1	Very high	92.6	Very high	11 Å²	11	36.2 Å²	36.2	6%	0.059	20%	0.197	C	C	.	.			trans	-126.9	80.3	-179.1	-176.4	30.4	0	0	0	110.2	R858 Y961 S962 D963 R992	R858-D959 HydrophobicContact CG-CB 3.94Å; D959-Y961 PolarHBondContact O-N 2.97Å; D959-Y961 WeakPolarHBondContact OD1-CD2 3.45Å; D959-S962 PolarHBondContact O-N 3.21Å; D959-S962 VanDerWaalsContact OD2-CB 3.26Å; D959-S962 WeakPolarHBondContact OD2-CB 3.39Å; D959-S962 PolarHBondContact OD2-OG 2.89Å; D959-D963 PolarHBondContact O-N 3.39Å; D959-D963 VanDerWaalsContact O-N 3.12Å; D959-R992 IonicContact OD1-CZ 3.4Å; D959-R992 IonicContact OD1-NE 2.68Å; D959-R992 PolarHBondContact OD1-NE 3.44Å; D959-R992 IonicContact OD1-NH2 2.68Å; D959-R992 PolarHBondContact OD1-NH2 3.18Å; D959-R992 IonicContact OD2-CZ 2.77Å; D959-R992 IonicContact OD2-NE 3.33Å; D959-R992 PolarHBondContact OD2-NE 3.22Å; D959-R992 IonicContact OD2-NH2 3.82Å
960	L	89.6	Confident	92.7	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-45.1	-37.7	178.7	173.9	65.9	0	0	0	113.1	L933 V949 S962 D963 V964 I999 F1049	L933-L960 HydrophobicContact CD1-CD2 3.17Å; V949-L960 HydrophobicContact CG1-CD2 4.32Å; L960-S962 VanDerWaalsContact C-N 3.34Å; L960-S962 PolarHBondContact O-N 2.92Å; L960-D963 PolarHBondContact O-N 3.33Å; L960-V964 HydrophobicContact CD1-CG2 3.99Å; L960-V964 HydrophobicContact CG-CG2 4.36Å; L960-V964 VanDerWaalsContact O-CG2 3.31Å; L960-V964 WeakPolarHBondContact O-CG2 3.18Å; L960-V964 PolarHBondContact O-N 3.43Å; L960-I999 HydrophobicContact CD2-CG2 4.28Å; L960-F1049 HydrophobicContact CD1-CE2 3.71Å; L960-F1049 HydrophobicContact CD1-CZ 4.22Å; L960-F1049 HydrophobicContact CD2-CE2 3.61Å; L960-F1049 HydrophobicContact CD2-CZ 3.81Å; L960-F1049 HydrophobicContact CG-CE2 4.32Å
961	Y	90.8	Very high	92.7	Very high	11 Å²	11	43.5 Å²	43.5	4%	0.043	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-39.1	-178.4	-50.5	-77.6	0	0	0	112.1	S929 C930 D959 V965 K996 I999 M1000	S929-Y961 WeakPolarHBondContact O-CE2 3.42Å; S929-Y961 PolarHBondContact O-OH 3.4Å; C930-Y961 PolarHBondContact SG-OH 3.49Å; C930-Y961 VanDerWaalsContact SG-OH 3.32Å; D959-Y961 PolarHBondContact O-N 2.97Å; D959-Y961 WeakPolarHBondContact OD1-CD2 3.45Å; Y961-V965 VanDerWaalsContact O-CG2 3.31Å; Y961-V965 WeakPolarHBondContact O-CG2 3.31Å; Y961-V965 PolarHBondContact O-N 3.05Å; Y961-V965 VanDerWaalsContact O-N 3.12Å; Y961-K996 HydrophobicContact CD1-CB 4.29Å; Y961-K996 HydrophobicContact CD1-CG 3.88Å; Y961-K996 HydrophobicContact CE1-CG 4.02Å; Y961-K996 HydrophobicContact CG-CG 4.26Å; Y961-I999 HydrophobicContact CD1-CB 3.84Å; Y961-I999 HydrophobicContact CD1-CD1 3.9Å; Y961-I999 HydrophobicContact CD1-CG1 4.48Å; Y961-I999 HydrophobicContact CD1-CG2 3.72Å; Y961-I999 HydrophobicContact CE1-CB 4.03Å; Y961-I999 HydrophobicContact CE1-CG2 3.75Å; Y961-M1000 HydrophobicContact CE1-CG 3.55Å; Y961-M1000 WeakPolarHBondContact OH-CG 3.35Å
962	S	90.7	Very high	92.8	Very high	26 Å²	26	44.1 Å²	44.1	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-73	-36.6	175.5	-66.4	0	0	0	0	111.3	D959 L960 V964 V965 E966	D959-S962 PolarHBondContact O-N 3.21Å; D959-S962 VanDerWaalsContact OD2-CB 3.26Å; D959-S962 WeakPolarHBondContact OD2-CB 3.39Å; D959-S962 PolarHBondContact OD2-OG 2.89Å; L960-S962 VanDerWaalsContact C-N 3.34Å; L960-S962 PolarHBondContact O-N 2.92Å; S962-V964 VanDerWaalsContact C-N 3.31Å; S962-V964 PolarHBondContact O-N 3.32Å; S962-V965 WeakPolarHBondContact O-CB 3.3Å; S962-V965 PolarHBondContact O-N 3.4Å; S962-V965 VanDerWaalsContact O-N 3.12Å; S962-E966 WeakPolarHBondContact O-CG 3.41Å; S962-E966 PolarHBondContact O-N 3.32Å
963	D	90.5	Very high	92.9	Very high	42 Å²	42	49.2 Å²	49.2	23%	0.225	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-41.7	175.6	-54.1	-12.3	0	0	0	111.1	R858 D959 L960 E966 I967	R858-D963 IonicContact CZ-OD1 2.8Å; R858-D963 IonicContact NH2-OD1 3.88Å; R858-D963 PolarHBondContact NH2-OD1 3.47Å; D959-D963 PolarHBondContact O-N 3.39Å; D959-D963 VanDerWaalsContact O-N 3.12Å; L960-D963 PolarHBondContact O-N 3.33Å; D963-E966 PolarHBondContact O-N 3.1Å; D963-I967 WeakPolarHBondContact O-CG1 3.2Å; D963-I967 PolarHBondContact O-N 3.19Å; D963-I967 VanDerWaalsContact O-N 3.16Å
964	V	91.4	Very high	93.1	Very high	1 Å²	1	50 Å²	50	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-68.3	-35.7	175.1	176.7	0	0	0	0	111.5	L960 S962 E966 I967 V968 I995 I999 T1041 I1045	L960-V964 HydrophobicContact CD1-CG2 3.99Å; L960-V964 HydrophobicContact CG-CG2 4.36Å; L960-V964 VanDerWaalsContact O-CG2 3.31Å; L960-V964 WeakPolarHBondContact O-CG2 3.18Å; L960-V964 PolarHBondContact O-N 3.43Å; S962-V964 VanDerWaalsContact C-N 3.31Å; S962-V964 PolarHBondContact O-N 3.32Å; V964-E966 VanDerWaalsContact C-N 3.33Å; V964-I967 PolarHBondContact O-N 3.33Å; V964-V968 HydrophobicContact CG1-CG2 4.12Å; V964-V968 WeakPolarHBondContact O-CB 3.48Å; V964-V968 VanDerWaalsContact O-CG2 3.23Å; V964-V968 WeakPolarHBondContact O-CG2 3.33Å; V964-V968 PolarHBondContact O-N 3.35Å; V964-I995 HydrophobicContact CB-CD1 4.36Å; V964-I995 HydrophobicContact CG1-CD1 3.89Å; V964-I999 HydrophobicContact CB-CD1 3.8Å; V964-I999 HydrophobicContact CG1-CD1 3.82Å; V964-I999 HydrophobicContact CG1-CG1 4.36Å; V964-I999 HydrophobicContact CG2-CD1 4.24Å; V964-T1041 HydrophobicContact CG1-CG2 4.19Å; V964-I1045 HydrophobicContact CG2-CG1 4.39Å
965	V	93.4	Very high	93.4	Very high	22 Å²	22	48.9 Å²	48.9	13%	0.133	24%	0.244	C	C	.	.	H	α-helix	trans	-58.5	-47	172.6	167	0	0	0	0	110.4	Y961 S962 I967 V968 E969 V990 R992 I995	Y961-V965 VanDerWaalsContact O-CG2 3.31Å; Y961-V965 WeakPolarHBondContact O-CG2 3.31Å; Y961-V965 PolarHBondContact O-N 3.05Å; Y961-V965 VanDerWaalsContact O-N 3.12Å; S962-V965 WeakPolarHBondContact O-CB 3.3Å; S962-V965 PolarHBondContact O-N 3.4Å; S962-V965 VanDerWaalsContact O-N 3.12Å; V965-I967 VanDerWaalsContact C-N 3.35Å; V965-I967 PolarHBondContact O-N 2.83Å; V965-V968 PolarHBondContact O-N 3.45Å; V965-E969 VanDerWaalsContact O-CB 3.28Å; V965-E969 WeakPolarHBondContact O-CB 3.4Å; V965-E969 PolarHBondContact O-N 2.81Å; V965-V990 HydrophobicContact CG1-CG1 4.31Å; V965-R992 HydrophobicContact CG2-CB 4.28Å; V965-I995 HydrophobicContact CB-CD1 4.23Å; V965-I995 HydrophobicContact CG2-CD1 3.41Å; V965-I995 VanDerWaalsContact CG2-CD1 3.41Å; V965-I995 HydrophobicContact CG2-CG1 3.76Å
966	E	93.5	Very high	93.7	Very high	106 Å²	106	41.7 Å²	41.7	50%	0.495	21%	0.206	S	C	.	.	H	α-helix	trans	-59.4	-44.9	179.9	-70.4	167.8	-157.3	0	0	111.3	R858 S962 D963 V964 E969 E970	R858-E966 IonicContact CZ-OE1 3.66Å; R858-E966 VanDerWaalsContact CZ-OE1 3.28Å; R858-E966 IonicContact NH1-OE1 2.75Å; R858-E966 PolarHBondContact NH1-OE1 3.2Å; R858-E966 IonicContact NH2-OE1 3.93Å; R858-E966 PolarHBondContact NH2-OE1 2.81Å; S962-E966 WeakPolarHBondContact O-CG 3.41Å; S962-E966 PolarHBondContact O-N 3.32Å; D963-E966 PolarHBondContact O-N 3.1Å; V964-E966 VanDerWaalsContact C-N 3.33Å; E966-E969 PolarHBondContact O-N 3.3Å; E966-E970 WeakPolarHBondContact O-CB 3.12Å; E966-E970 PolarHBondContact O-N 2.89Å
967	I	93.1	Very high	93.8	Very high	79 Å²	79	45.5 Å²	45.5	41%	0.405	22%	0.223	S	C	.	.	H	α-helix	trans	-63.9	-43.6	176.5	-62.4	165.5	0	0	0	111.6	D963 V964 V965 Q971 S1044	D963-I967 WeakPolarHBondContact O-CG1 3.2Å; D963-I967 PolarHBondContact O-N 3.19Å; D963-I967 VanDerWaalsContact O-N 3.16Å; V964-I967 PolarHBondContact O-N 3.33Å; V965-I967 VanDerWaalsContact C-N 3.35Å; V965-I967 PolarHBondContact O-N 2.83Å; I967-Q971 PolarHBondContact O-N 3.32Å; I967-Q971 VanDerWaalsContact O-N 3.1Å; I967-S1044 VanDerWaalsContact CG2-OG 3.31Å; I967-S1044 WeakPolarHBondContact CG2-OG 3.45Å
968	V	94.5	Very high	94	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.2	-38.1	-179.5	171.1	0	0	0	0	111.1	V964 V965 Q971 R972 V990 L1037 L1040	V964-V968 HydrophobicContact CG1-CG2 4.12Å; V964-V968 WeakPolarHBondContact O-CB 3.48Å; V964-V968 VanDerWaalsContact O-CG2 3.23Å; V964-V968 WeakPolarHBondContact O-CG2 3.33Å; V964-V968 PolarHBondContact O-N 3.35Å; V965-V968 PolarHBondContact O-N 3.45Å; V968-Q971 PolarHBondContact O-N 3.1Å; V968-R972 VanDerWaalsContact O-CB 3.29Å; V968-R972 WeakPolarHBondContact O-CB 3.32Å; V968-R972 PolarHBondContact O-N 3.1Å; V968-V990 HydrophobicContact CB-CG1 4.37Å; V968-V990 HydrophobicContact CG1-CG1 3.86Å; V968-L1037 HydrophobicContact CG1-CD2 3.77Å; V968-L1040 HydrophobicContact CG1-CB 4.21Å; V968-L1040 HydrophobicContact CG1-CD1 4.29Å; V968-L1040 HydrophobicContact CG2-CB 4.18Å
969	E	95.6	Very high	94.1	Very high	48 Å²	48	48.6 Å²	48.6	22%	0.224	27%	0.269	C	S	.	.	H	α-helix	trans	-69.7	-40.3	178.5	-176.7	54	-152.2	0	0	111.8	V965 E966 R972 R973 V990	V965-E969 VanDerWaalsContact O-CB 3.28Å; V965-E969 WeakPolarHBondContact O-CB 3.4Å; V965-E969 PolarHBondContact O-N 2.81Å; E966-E969 PolarHBondContact O-N 3.3Å; E969-R972 VanDerWaalsContact CD-NE 3.26Å; E969-R972 PolarHBondContact O-N 2.96Å; E969-R972 IonicContact OE1-CZ 2.65Å; E969-R972 VanDerWaalsContact OE1-CZ 3.23Å; E969-R972 IonicContact OE1-NE 3.44Å; E969-R972 PolarHBondContact OE1-NE 2.81Å; E969-R972 IonicContact OE1-NH2 2.64Å; E969-R972 PolarHBondContact OE1-NH2 3.44Å; E969-R972 WeakPolarHBondContact OE2-CD 3.36Å; E969-R972 IonicContact OE2-NE 3.1Å; E969-R972 PolarHBondContact OE2-NE 3.23Å; E969-R972 VanDerWaalsContact OE2-NE 3.1Å; E969-R973 PolarHBondContact O-N 3.4Å; E969-V990 HydrophobicContact CB-CG1 4.44Å; E969-V990 WeakPolarHBondContact OE2-CB 3.17Å; E969-V990 WeakPolarHBondContact OE2-CG2 3.47Å
970	E	95.7	Very high	94.3	Very high	84 Å²	84	50.7 Å²	50.7	39%	0.393	28%	0.28	S	S	.	.	H	α-helix	trans	-56.7	-52	171.1	-179.4	57.9	-134.3	0	0	110.9	E966 R972 R973 I974	E966-E970 WeakPolarHBondContact O-CB 3.12Å; E966-E970 PolarHBondContact O-N 2.89Å; E970-R972 VanDerWaalsContact C-N 3.29Å; E970-R972 PolarHBondContact O-N 3.43Å; E970-R973 WeakPolarHBondContact O-CB 3.47Å; E970-R973 PolarHBondContact O-N 2.86Å; E970-R973 VanDerWaalsContact O-N 3.16Å; E970-R973 IonicContact OE1-NE 3.67Å; E970-R973 IonicContact OE2-CZ 2.88Å; E970-R973 IonicContact OE2-NE 2.71Å; E970-R973 IonicContact OE2-NH2 3.05Å; E970-R973 PolarHBondContact OE2-NH2 2.77Å; E970-I974 HydrophobicContact CG-CD1 4.25Å; E970-I974 WeakPolarHBondContact O-CG1 3.45Å; E970-I974 PolarHBondContact O-N 3.12Å; E970-I974 VanDerWaalsContact O-N 3.1Å
971	Q	95.3	Very high	94.6	Very high	75 Å²	75	54 Å²	54	35%	0.35	31%	0.305	S	S	.	.	H	α-helix	trans	-64.8	-34.6	179.4	-171.2	63.3	61.8	0	0	112.1	I967 V968 I974 D975 L1040	I967-Q971 PolarHBondContact O-N 3.32Å; I967-Q971 VanDerWaalsContact O-N 3.1Å; V968-Q971 PolarHBondContact O-N 3.1Å; Q971-I974 PolarHBondContact O-N 3.16Å; Q971-D975 PolarHBondContact NE2-OD1 3.47Å; Q971-D975 WeakPolarHBondContact O-CB 3.43Å; Q971-D975 PolarHBondContact O-N 2.92Å; Q971-L1040 HydrophobicContact CB-CD1 4.08Å; Q971-L1040 HydrophobicContact CG-CD1 3.92Å; Q971-L1040 HydrophobicContact CG-CD2 3.74Å; Q971-L1040 HydrophobicContact CG-CG 4.48Å
972	R	96.6	Very high	94.8	Very high	13 Å²	13	55 Å²	55	5%	0.049	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-41.2	173.8	-177.1	-132.4	55.8	74.8	0.1	112	V968 E969 E970 D975 A976 A983 L986 Y1036	V968-R972 VanDerWaalsContact O-CB 3.29Å; V968-R972 WeakPolarHBondContact O-CB 3.32Å; V968-R972 PolarHBondContact O-N 3.1Å; E969-R972 VanDerWaalsContact CD-NE 3.26Å; E969-R972 PolarHBondContact O-N 2.96Å; E969-R972 IonicContact OE1-CZ 2.65Å; E969-R972 VanDerWaalsContact OE1-CZ 3.23Å; E969-R972 IonicContact OE1-NE 3.44Å; E969-R972 PolarHBondContact OE1-NE 2.81Å; E969-R972 IonicContact OE1-NH2 2.64Å; E969-R972 PolarHBondContact OE1-NH2 3.44Å; E969-R972 WeakPolarHBondContact OE2-CD 3.36Å; E969-R972 IonicContact OE2-NE 3.1Å; E969-R972 PolarHBondContact OE2-NE 3.23Å; E969-R972 VanDerWaalsContact OE2-NE 3.1Å; E970-R972 VanDerWaalsContact C-N 3.29Å; E970-R972 PolarHBondContact O-N 3.43Å; R972-D975 PolarHBondContact O-N 3.23Å; R972-A976 WeakPolarHBondContact O-CB 3.42Å; R972-A976 PolarHBondContact O-N 3.1Å; R972-A983 VanDerWaalsContact CD-O 3.32Å; R972-A983 WeakPolarHBondContact CD-O 3.33Å; R972-A983 HydrophobicContact CG-CB 4.04Å; R972-A983 WeakPolarHBondContact CG-O 3.44Å; R972-A983 PolarHBondContact NH1-O 2.93Å; R972-A983 VanDerWaalsContact NH1-O 3.08Å; R972-L986 HydrophobicContact CG-CB 4.25Å; R972-Y1036 VanDerWaalsContact CA-OH 3.29Å; R972-Y1036 WeakPolarHBondContact CA-OH 3.46Å; R972-Y1036 HydrophobicContact CB-CE1 4.35Å; R972-Y1036 HydrophobicContact CG-CE1 4.24Å
973	R	97.1	Very high	95.1	Very high	118 Å²	118	53.7 Å²	53.7	45%	0.445	30%	0.301	S	S	.	.	H	α-helix	trans	-60.9	-49.7	174.6	175.9	168.2	43.7	-152.2	-5.4	111.5	E969 E970 D975 A976 D977	E969-R973 PolarHBondContact O-N 3.4Å; E970-R973 WeakPolarHBondContact O-CB 3.47Å; E970-R973 PolarHBondContact O-N 2.86Å; E970-R973 VanDerWaalsContact O-N 3.16Å; E970-R973 IonicContact OE1-NE 3.67Å; E970-R973 IonicContact OE2-CZ 2.88Å; E970-R973 IonicContact OE2-NE 2.71Å; E970-R973 IonicContact OE2-NH2 3.05Å; E970-R973 PolarHBondContact OE2-NH2 2.77Å; R973-D975 PolarHBondContact O-N 2.92Å; R973-A976 WeakPolarHBondContact O-CB 3.28Å; R973-A976 PolarHBondContact O-N 2.81Å; R973-A976 VanDerWaalsContact O-N 3.14Å; R973-D977 VanDerWaalsContact O-CG 3.3Å; R973-D977 PolarHBondContact O-N 3.06Å
974	I	96.8	Very high	95.3	Very high	84 Å²	84	57.3 Å²	57.3	43%	0.431	32%	0.315	S	S	.	.	H	α-helix	trans	-57.4	-47.6	177.5	-64.3	167.3	0	0	0	111.3	E970 Q971 A976 D977 G978	E970-I974 HydrophobicContact CG-CD1 4.25Å; E970-I974 WeakPolarHBondContact O-CG1 3.45Å; E970-I974 PolarHBondContact O-N 3.12Å; E970-I974 VanDerWaalsContact O-N 3.1Å; Q971-I974 PolarHBondContact O-N 3.16Å; I974-A976 VanDerWaalsContact C-N 3.32Å; I974-A976 PolarHBondContact O-N 3.12Å; I974-D977 PolarHBondContact O-N 2.83Å; I974-G978 PolarHBondContact O-N 3.11Å
975	D	97.2	Very high	95.5	Very high	35 Å²	35	59.3 Å²	59.3	19%	0.187	33%	0.327	C	S	.	.	H	α-helix	trans	-66.4	-35.3	179.5	-74.2	12.9	0	0	0	111.5	Q971 R972 R973 G978 G979 N980 A983 Y1036 R1039	Q971-D975 PolarHBondContact NE2-OD1 3.47Å; Q971-D975 WeakPolarHBondContact O-CB 3.43Å; Q971-D975 PolarHBondContact O-N 2.92Å; R972-D975 PolarHBondContact O-N 3.23Å; R973-D975 PolarHBondContact O-N 2.92Å; D975-G978 CarbonylContact O-C 3.49Å; D975-G978 PolarHBondContact O-N 3.27Å; D975-G979 PolarHBondContact O-N 3.17Å; D975-N980 HydrophobicContact CB-CB 4.14Å; D975-N980 WeakPolarHBondContact O-CB 3.49Å; D975-N980 PolarHBondContact O-N 2.87Å; D975-A983 HydrophobicContact CB-CB 3.9Å; D975-Y1036 HydrophobicContact CB-CE2 4.33Å; D975-Y1036 VanDerWaalsContact CB-OH 3.29Å; D975-Y1036 WeakPolarHBondContact CB-OH 3.3Å; D975-Y1036 VanDerWaalsContact OD2-CE2 3.32Å; D975-Y1036 WeakPolarHBondContact OD2-CE2 3.49Å; D975-Y1036 PolarHBondContact OD2-OH 2.79Å; D975-R1039 IonicContact OD2-NH2 3.58Å
976	A	96.6	Very high	95.6	Very high	5 Å²	5	58.2 Å²	58.2	4%	0.041	32%	0.321	C	S	.	.	H	α-helix	trans	-66.8	-42.5	176.6	0	0	0	0	0	112	R972 R973 I974 G978 G979 A983 K984	R972-A976 WeakPolarHBondContact O-CB 3.42Å; R972-A976 PolarHBondContact O-N 3.1Å; R973-A976 WeakPolarHBondContact O-CB 3.28Å; R973-A976 PolarHBondContact O-N 2.81Å; R973-A976 VanDerWaalsContact O-N 3.14Å; I974-A976 VanDerWaalsContact C-N 3.32Å; I974-A976 PolarHBondContact O-N 3.12Å; A976-G978 VanDerWaalsContact C-N 3.28Å; A976-G978 PolarHBondContact O-N 2.9Å; A976-G979 PolarHBondContact O-N 3.1Å; A976-A983 HydrophobicContact CB-CB 3.88Å; A976-K984 HydrophobicContact CB-CG 3.82Å; A976-K984 WeakPolarHBondContact O-CE 3.38Å
977	D	96	Very high	95.7	Very high	132 Å²	132	59.5 Å²	59.5	71%	0.706	33%	0.327	S	S	*	.	H	α-helix	trans	-64.6	-36.2	174.1	-65.9	-20.4	0	0	0	110.9	R973 I974 G979	R973-D977 VanDerWaalsContact O-CG 3.3Å; R973-D977 PolarHBondContact O-N 3.06Å; I974-D977 PolarHBondContact O-N 2.83Å; D977-G979 PolarHBondContact O-N 3.48Å; D977-G979 VanDerWaalsContact O-N 3.11Å
978	G	95.3	Very high	95.7	Very high	70 Å²	70	58.1 Å²	58.1	72%	0.722	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	4	170.1	0	0	0	0	0	115.3	I974 D975 A976	I974-G978 PolarHBondContact O-N 3.11Å; D975-G978 CarbonylContact O-C 3.49Å; D975-G978 PolarHBondContact O-N 3.27Å; A976-G978 VanDerWaalsContact C-N 3.28Å; A976-G978 PolarHBondContact O-N 2.9Å
979	G	94.6	Very high	95.7	Very high	50 Å²	50	59.8 Å²	59.8	52%	0.515	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	8.3	174.6	0	0	0	0	0	115.5	D975 A976 D977 S981	D975-G979 PolarHBondContact O-N 3.17Å; A976-G979 PolarHBondContact O-N 3.1Å; D977-G979 PolarHBondContact O-N 3.48Å; D977-G979 VanDerWaalsContact O-N 3.11Å; G979-S981 PolarHBondContact O-N 3.29Å; G979-S981 VanDerWaalsContact O-N 3.16Å
980	N	95.7	Very high	95.7	Very high	55 Å²	55	58.1 Å²	58.1	29%	0.294	33%	0.332	S	S	.	.			trans	-69.1	111.8	177.6	-172	-47	0	0	0	111.3	D975 I982 A983 K984	D975-N980 HydrophobicContact CB-CB 4.14Å; D975-N980 WeakPolarHBondContact O-CB 3.49Å; D975-N980 PolarHBondContact O-N 2.87Å; N980-I982 VanDerWaalsContact C-N 3.31Å; N980-I982 PolarHBondContact O-N 3.32Å; N980-I982 WeakPolarHBondContact OD1-CB 3.37Å; N980-I982 PolarHBondContact OD1-N 3.45Å; N980-A983 HydrophobicContact CB-CB 3.82Å; N980-A983 PolarHBondContact O-N 3.22Å; N980-A983 PolarHBondContact OD1-N 3.03Å; N980-A983 VanDerWaalsContact OD1-N 3.07Å; N980-K984 PolarHBondContact O-N 2.93Å; N980-K984 VanDerWaalsContact O-N 3.15Å
981	S	94.9	Very high	95.5	Very high	79 Å²	79	60.3 Å²	60.3	55%	0.552	34%	0.337	S	S	*	.	H	α-helix	trans	-62.5	-33.2	-177.5	57.2	0	0	0	0	113.9	G979 T985	G979-S981 PolarHBondContact O-N 3.29Å; G979-S981 VanDerWaalsContact O-N 3.16Å; S981-T985 PolarHBondContact O-N 3.2Å; S981-T985 PolarHBondContact O-OG1 2.93Å
982	I	96	Very high	95.3	Very high	30 Å²	30	59.8 Å²	59.8	15%	0.154	33%	0.332	C	S	.	.	H	α-helix	trans	-73.3	-38.9	178	-61	-54.4	0	0	0	110.9	N980 K984 T985 L986 P1032 A1033 Y1036	N980-I982 VanDerWaalsContact C-N 3.31Å; N980-I982 PolarHBondContact O-N 3.32Å; N980-I982 WeakPolarHBondContact OD1-CB 3.37Å; N980-I982 PolarHBondContact OD1-N 3.45Å; I982-K984 VanDerWaalsContact C-N 3.3Å; I982-K984 PolarHBondContact O-N 3.49Å; I982-T985 WeakPolarHBondContact O-CB 3.41Å; I982-T985 PolarHBondContact O-N 3.24Å; I982-L986 HydrophobicContact CG2-CD1 4.02Å; I982-L986 WeakPolarHBondContact O-CB 3.42Å; I982-L986 WeakPolarHBondContact O-CG 3.41Å; I982-L986 PolarHBondContact O-N 2.72Å; I982-P1032 HydrophobicContact CD1-CB 3.58Å; I982-P1032 HydrophobicContact CD1-CG 4.39Å; I982-P1032 HydrophobicContact CG1-CB 3.86Å; I982-A1033 HydrophobicContact CG2-CB 3.98Å; I982-Y1036 HydrophobicContact CG2-CG 4.21Å
983	A	96.2	Very high	94.9	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-64.1	-35.7	176.3	0	0	0	0	0	112.1	R972 D975 A976 N980 L986 Y1036	R972-A983 VanDerWaalsContact CD-O 3.32Å; R972-A983 WeakPolarHBondContact CD-O 3.33Å; R972-A983 HydrophobicContact CG-CB 4.04Å; R972-A983 WeakPolarHBondContact CG-O 3.44Å; R972-A983 PolarHBondContact NH1-O 2.93Å; R972-A983 VanDerWaalsContact NH1-O 3.08Å; D975-A983 HydrophobicContact CB-CB 3.9Å; A976-A983 HydrophobicContact CB-CB 3.88Å; N980-A983 HydrophobicContact CB-CB 3.82Å; N980-A983 PolarHBondContact O-N 3.22Å; N980-A983 PolarHBondContact OD1-N 3.03Å; N980-A983 VanDerWaalsContact OD1-N 3.07Å; A983-L986 PolarHBondContact O-N 3.05Å; A983-Y1036 HydrophobicContact CB-CE2 4.34Å
984	K	95.8	Very high	94.8	Very high	118 Å²	118	61 Å²	61	51%	0.513	34%	0.34	S	S	.	.	H	α-helix	trans	-65.3	-45.6	169.7	-67.3	-179.2	-177.9	-173.7	0	112	A976 N980 I982 L986 E987	A976-K984 HydrophobicContact CB-CG 3.82Å; A976-K984 WeakPolarHBondContact O-CE 3.38Å; N980-K984 PolarHBondContact O-N 2.93Å; N980-K984 VanDerWaalsContact O-N 3.15Å; I982-K984 VanDerWaalsContact C-N 3.3Å; I982-K984 PolarHBondContact O-N 3.49Å; K984-L986 PolarHBondContact O-N 3.21Å; K984-L986 VanDerWaalsContact O-N 3.16Å; K984-E987 WeakPolarHBondContact O-CB 3.42Å; K984-E987 PolarHBondContact O-N 2.91Å
985	T	95.3	Very high	94.6	Very high	42 Å²	42	57 Å²	57	26%	0.258	32%	0.32	S	S	.	.	H	α-helix	trans	-60.7	-26.4	178.2	-54.6	0	0	0	0	113	S981 I982 F989 F1025 P1026	S981-T985 PolarHBondContact O-N 3.2Å; S981-T985 PolarHBondContact O-OG1 2.93Å; I982-T985 WeakPolarHBondContact O-CB 3.41Å; I982-T985 PolarHBondContact O-N 3.24Å; T985-F989 WeakPolarHBondContact O-CD2 3.31Å; T985-F1025 HydrophobicContact CG2-CE2 4.49Å; T985-F1025 HydrophobicContact CG2-CZ 4.49Å; T985-P1026 HydrophobicContact CG2-CG 4.01Å
986	L	96.1	Very high	94.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-3.4	-177.6	-83.8	167.5	0	0	0	114.6	R972 I982 A983 K984 G988 F989 V990 L1019 F1025 A1033 Y1036 L1037	R972-L986 HydrophobicContact CG-CB 4.25Å; I982-L986 HydrophobicContact CG2-CD1 4.02Å; I982-L986 WeakPolarHBondContact O-CB 3.42Å; I982-L986 WeakPolarHBondContact O-CG 3.41Å; I982-L986 PolarHBondContact O-N 2.72Å; A983-L986 PolarHBondContact O-N 3.05Å; K984-L986 PolarHBondContact O-N 3.21Å; K984-L986 VanDerWaalsContact O-N 3.16Å; L986-G988 PolarHBondContact O-N 3.35Å; L986-F989 PolarHBondContact O-N 2.96Å; L986-V990 HydrophobicContact CB-CG2 4.44Å; L986-L1019 HydrophobicContact CD2-CD2 4.5Å; L986-F1025 HydrophobicContact CD2-CE2 3.96Å; L986-F1025 HydrophobicContact CD2-CZ 4.26Å; L986-A1033 HydrophobicContact CD1-CB 4.11Å; L986-A1033 HydrophobicContact CD2-CB 3.96Å; L986-A1033 HydrophobicContact CG-CB 4.04Å; L986-Y1036 HydrophobicContact CD1-CD1 3.37Å; L986-Y1036 HydrophobicContact CD1-CE1 3.86Å; L986-Y1036 HydrophobicContact CD1-CG 4.24Å; L986-L1037 HydrophobicContact CD1-CD1 4.37Å; L986-L1037 HydrophobicContact CD1-CD2 3.9Å; L986-L1037 HydrophobicContact CD1-CG 3.8Å; L986-L1037 HydrophobicContact CD2-CD1 3.72Å; L986-L1037 HydrophobicContact CD2-CD2 4.46Å; L986-L1037 HydrophobicContact CD2-CG 4.09Å
987	E	95.1	Very high	94	Very high	133 Å²	133	61.6 Å²	61.6	62%	0.621	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	129.1	178.6	-174.3	169.5	-160.5	0	0	111.7	K984 F989	K984-E987 WeakPolarHBondContact O-CB 3.42Å; K984-E987 PolarHBondContact O-N 2.91Å; E987-F989 WeakPolarHBondContact O-CD2 3.4Å; E987-F989 PolarHBondContact O-N 2.87Å
988	G	93.1	Very high	93.7	Very high	49 Å²	49	55.3 Å²	55.3	51%	0.505	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	-4.4	-177.5	0	0	0	0	0	116.1	L986 R991	L986-G988 PolarHBondContact O-N 3.35Å; G988-R991 PolarHBondContact O-NE 3.38Å; G988-R991 PolarHBondContact O-NH2 3.04Å
989	F	94.8	Very high	93.3	Very high	35 Å²	35	52.1 Å²	52.1	15%	0.154	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-13	-179.3	-62.4	-73	0	0	0	114.2	T985 L986 E987 R991 L1022 D1024 F1025	T985-F989 WeakPolarHBondContact O-CD2 3.31Å; L986-F989 PolarHBondContact O-N 2.96Å; E987-F989 WeakPolarHBondContact O-CD2 3.4Å; E987-F989 PolarHBondContact O-N 2.87Å; F989-R991 PolarHBondContact O-N 3.33Å; F989-L1022 HydrophobicContact CD1-CD1 4Å; F989-D1024 HydrophobicContact CE1-CB 4.21Å; F989-D1024 HydrophobicContact CZ-CB 4.28Å; F989-F1025 HydrophobicContact CB-CD2 4.22Å; F989-F1025 HydrophobicContact CB-CE2 4.42Å; F989-F1025 AromaticContact CD1-CD2 3.92Å; F989-F1025 HydrophobicContact CD1-CD2 3.92Å; F989-F1025 AromaticContact CD2-CD2 3.82Å; F989-F1025 HydrophobicContact CD2-CD2 3.82Å; F989-F1025 HydrophobicContact CD2-CE2 4.1Å; F989-F1025 HydrophobicContact CE1-CB 4.32Å; F989-F1025 HydrophobicContact CE1-CD2 4.19Å; F989-F1025 HydrophobicContact CE2-CD2 4.1Å; F989-F1025 AromaticContact CG-CD2 3.72Å; F989-F1025 HydrophobicContact CG-CD2 3.72Å; F989-F1025 HydrophobicContact CG-CE2 4.21Å; F989-F1025 HydrophobicContact CZ-CD2 4.27Å
990	V	94.3	Very high	92.8	Very high	14 Å²	14	53.1 Å²	53.1	9%	0.085	26%	0.263	C	S	.	.			trans	-75	97.5	175.4	-171	0	0	0	0	109.5	V965 V968 E969 L986 L1037	V965-V990 HydrophobicContact CG1-CG1 4.31Å; V968-V990 HydrophobicContact CB-CG1 4.37Å; V968-V990 HydrophobicContact CG1-CG1 3.86Å; E969-V990 HydrophobicContact CB-CG1 4.44Å; E969-V990 WeakPolarHBondContact OE2-CB 3.17Å; E969-V990 WeakPolarHBondContact OE2-CG2 3.47Å; L986-V990 HydrophobicContact CB-CG2 4.44Å; V990-L1037 HydrophobicContact CG2-CD2 4Å
991	R	91.9	Very high	92.3	Very high	129 Å²	129	51 Å²	51	49%	0.487	25%	0.253	S	S	.	.			trans	-129.4	154.8	-175.5	-57.8	177.6	-169	179.6	3.5	110.8	G988 F989 K993 V994 I995	G988-R991 PolarHBondContact O-NE 3.38Å; G988-R991 PolarHBondContact O-NH2 3.04Å; F989-R991 PolarHBondContact O-N 3.33Å; R991-K993 VanDerWaalsContact C-N 3.25Å; R991-K993 PolarHBondContact O-N 2.79Å; R991-V994 HydrophobicContact CB-CG2 4.34Å; R991-V994 WeakPolarHBondContact O-CB 3.37Å; R991-V994 PolarHBondContact O-N 3.49Å; R991-I995 PolarHBondContact O-N 3.31Å
992	R	91	Very high	91.6	Very high	65 Å²	65	48.2 Å²	48.2	25%	0.245	23%	0.232	C	C	.	.	H	α-helix	trans	-48.3	-47	176.3	-171.7	-178.1	-175	-92	2.8	111.8	D959 V965 V994 I995 K996	D959-R992 IonicContact OD1-CZ 3.4Å; D959-R992 IonicContact OD1-NE 2.68Å; D959-R992 PolarHBondContact OD1-NE 3.44Å; D959-R992 IonicContact OD1-NH2 2.68Å; D959-R992 PolarHBondContact OD1-NH2 3.18Å; D959-R992 IonicContact OD2-CZ 2.77Å; D959-R992 IonicContact OD2-NE 3.33Å; D959-R992 PolarHBondContact OD2-NE 3.22Å; D959-R992 IonicContact OD2-NH2 3.82Å; V965-R992 HydrophobicContact CG2-CB 4.28Å; R992-V994 VanDerWaalsContact C-N 3.28Å; R992-V994 PolarHBondContact O-N 2.87Å; R992-I995 PolarHBondContact O-N 3.02Å; R992-K996 WeakPolarHBondContact O-CA 3.48Å; R992-K996 WeakPolarHBondContact O-CB 3.49Å; R992-K996 PolarHBondContact O-N 3.04Å
993	K	89.7	Confident	90.5	Very high	152 Å²	152	47 Å²	47	66%	0.661	23%	0.226	S	C	*	.	H	α-helix	trans	-57.5	-35.6	178.5	-172.3	175.7	-179.7	179.1	0	113.4	R991	R991-K993 VanDerWaalsContact C-N 3.25Å; R991-K993 PolarHBondContact O-N 2.79Å
994	V	94.1	Very high	89.4	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-71.4	-41	-176.7	174.8	0	0	0	0	111.8	R991 R992 I1015 Q1018 L1019 L1022 L1037	R991-V994 HydrophobicContact CB-CG2 4.34Å; R991-V994 WeakPolarHBondContact O-CB 3.37Å; R991-V994 PolarHBondContact O-N 3.49Å; R992-V994 VanDerWaalsContact C-N 3.28Å; R992-V994 PolarHBondContact O-N 2.87Å; V994-I1015 HydrophobicContact CG1-CG2 3.93Å; V994-Q1018 HydrophobicContact CB-CB 4.49Å; V994-Q1018 HydrophobicContact CG1-CB 4.5Å; V994-Q1018 HydrophobicContact CG2-CB 4.49Å; V994-L1019 HydrophobicContact CG1-CD2 3.84Å; V994-L1019 HydrophobicContact CG1-CG 4.03Å; V994-L1019 HydrophobicContact CG2-CD2 4.37Å; V994-L1022 HydrophobicContact CG2-CD1 4.04Å; V994-L1037 HydrophobicContact CG1-CD1 4.01Å
995	I	93	Very high	88.2	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-101.7	-19	-175.2	68.6	170.8	0	0	0	114.2	V964 V965 R991 R992 Q997 S998 I999 T1041	V964-I995 HydrophobicContact CB-CD1 4.36Å; V964-I995 HydrophobicContact CG1-CD1 3.89Å; V965-I995 HydrophobicContact CB-CD1 4.23Å; V965-I995 HydrophobicContact CG2-CD1 3.41Å; V965-I995 VanDerWaalsContact CG2-CD1 3.41Å; V965-I995 HydrophobicContact CG2-CG1 3.76Å; R991-I995 PolarHBondContact O-N 3.31Å; R992-I995 PolarHBondContact O-N 3.02Å; I995-Q997 VanDerWaalsContact C-N 3.29Å; I995-Q997 PolarHBondContact O-N 3.29Å; I995-Q997 VanDerWaalsContact O-N 3.16Å; I995-S998 PolarHBondContact O-N 3.34Å; I995-S998 PolarHBondContact O-OG 2.93Å; I995-I999 HydrophobicContact CB-CD1 4.48Å; I995-I999 HydrophobicContact CD1-CD1 3.85Å; I995-I999 HydrophobicContact CG1-CD1 3.87Å; I995-I999 PolarHBondContact O-N 2.98Å; I995-I999 VanDerWaalsContact O-N 3.11Å; I995-T1041 HydrophobicContact CB-CG2 4.34Å
996	K	90.1	Very high	87.1	Confident	74 Å²	74	44.5 Å²	44.5	32%	0.322	22%	0.222	S	C	.	.	H	α-helix	trans	-48	-48.3	-176.7	176.8	-176	-176.7	-167.5	0	112.5	Y961 R992 S998 I999 M1000	Y961-K996 HydrophobicContact CD1-CB 4.29Å; Y961-K996 HydrophobicContact CD1-CG 3.88Å; Y961-K996 HydrophobicContact CE1-CG 4.02Å; Y961-K996 HydrophobicContact CG-CG 4.26Å; R992-K996 WeakPolarHBondContact O-CA 3.48Å; R992-K996 WeakPolarHBondContact O-CB 3.49Å; R992-K996 PolarHBondContact O-N 3.04Å; K996-S998 VanDerWaalsContact C-N 3.31Å; K996-S998 PolarHBondContact O-N 3.37Å; K996-I999 PolarHBondContact O-N 3.45Å; K996-M1000 HydrophobicContact CD-SD 4.3Å; K996-M1000 HydrophobicContact CG-CG 4.22Å; K996-M1000 HydrophobicContact CG-SD 3.92Å; K996-M1000 WeakPolarHBondContact O-CG 3.44Å; K996-M1000 PolarHBondContact O-N 3.39Å
997	Q	89.8	Confident	86.4	Confident	63 Å²	63	48.6 Å²	48.6	29%	0.294	25%	0.247	S	C	.	.	H	α-helix	trans	-62.3	-38.5	-177.8	-169.8	177.1	3.7	0	0	112.3	I995 T1001 Q1014	I995-Q997 VanDerWaalsContact C-N 3.29Å; I995-Q997 PolarHBondContact O-N 3.29Å; I995-Q997 VanDerWaalsContact O-N 3.16Å; Q997-T1001 VanDerWaalsContact O-CG2 3.31Å; Q997-T1001 WeakPolarHBondContact O-CG2 3.28Å; Q997-T1001 PolarHBondContact O-N 3.22Å; Q997-T1001 VanDerWaalsContact O-N 3.08Å; Q997-T1001 PolarHBondContact O-OG1 3.4Å; Q997-Q1014 VanDerWaalsContact C-OE1 3.3Å; Q997-Q1014 HydrophobicContact CG-CB 4.28Å; Q997-Q1014 HydrophobicContact CG-CG 4.16Å; Q997-Q1014 PolarHBondContact O-OE1 3.3Å
998	S	89.7	Confident	85.9	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.007	24%	0.241	C	C	.	.	H	α-helix	trans	-68.2	-39.3	176.8	65.5	0	0	0	0	112.4	I995 K996 T1001 T1002	I995-S998 PolarHBondContact O-N 3.34Å; I995-S998 PolarHBondContact O-OG 2.93Å; K996-S998 VanDerWaalsContact C-N 3.31Å; K996-S998 PolarHBondContact O-N 3.37Å; S998-T1001 PolarHBondContact O-N 2.8Å; S998-T1001 PolarHBondContact O-OG1 3.24Å; S998-T1002 PolarHBondContact O-N 2.97Å; S998-T1002 PolarHBondContact O-OG1 3.03Å
999	I	87.9	Confident	85.7	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-63	-51.2	173.9	-59.9	165.7	0	0	0	110.1	L960 Y961 V964 I995 K996 T1001 T1002 T1041 I1045	L960-I999 HydrophobicContact CD2-CG2 4.28Å; Y961-I999 HydrophobicContact CD1-CB 3.84Å; Y961-I999 HydrophobicContact CD1-CD1 3.9Å; Y961-I999 HydrophobicContact CD1-CG1 4.48Å; Y961-I999 HydrophobicContact CD1-CG2 3.72Å; Y961-I999 HydrophobicContact CE1-CB 4.03Å; Y961-I999 HydrophobicContact CE1-CG2 3.75Å; V964-I999 HydrophobicContact CB-CD1 3.8Å; V964-I999 HydrophobicContact CG1-CD1 3.82Å; V964-I999 HydrophobicContact CG1-CG1 4.36Å; V964-I999 HydrophobicContact CG2-CD1 4.24Å; I995-I999 HydrophobicContact CB-CD1 4.48Å; I995-I999 HydrophobicContact CD1-CD1 3.85Å; I995-I999 HydrophobicContact CG1-CD1 3.87Å; I995-I999 PolarHBondContact O-N 2.98Å; I995-I999 VanDerWaalsContact O-N 3.11Å; K996-I999 PolarHBondContact O-N 3.45Å; I999-T1001 PolarHBondContact O-N 3.38Å; I999-T1001 VanDerWaalsContact O-N 3.12Å; I999-T1002 PolarHBondContact O-N 2.85Å; I999-T1002 VanDerWaalsContact O-N 3.14Å; I999-T1041 HydrophobicContact CD1-CG2 4.41Å; I999-T1041 HydrophobicContact CG1-CG2 3.72Å; I999-I1045 HydrophobicContact CB-CD1 4.11Å; I999-I1045 HydrophobicContact CG1-CD1 3.83Å; I999-I1045 HydrophobicContact CG1-CG1 4.45Å; I999-I1045 HydrophobicContact CG2-CD1 4.09Å
1000	M	85	Confident	85.4	Confident	71 Å²	71	51 Å²	51	35%	0.35	25%	0.252	S	S	.	.	H	α-helix	trans	-58.4	-27.6	179.3	-72.4	-176.5	78.5	0	0	113.3	Y961 K996 V1003 Y1004	Y961-M1000 HydrophobicContact CE1-CG 3.55Å; Y961-M1000 WeakPolarHBondContact OH-CG 3.35Å; K996-M1000 HydrophobicContact CD-SD 4.3Å; K996-M1000 HydrophobicContact CG-CG 4.22Å; K996-M1000 HydrophobicContact CG-SD 3.92Å; K996-M1000 WeakPolarHBondContact O-CG 3.44Å; K996-M1000 PolarHBondContact O-N 3.39Å; M1000-V1003 VanDerWaalsContact O-CG2 3.3Å; M1000-V1003 WeakPolarHBondContact O-CG2 3.25Å; M1000-Y1004 WeakPolarHBondContact O-CD2 3.45Å; M1000-Y1004 WeakPolarHBondContact O-CE2 3.29Å
1001	T	83.7	Confident	85.3	Confident	12 Å²	12	50.3 Å²	50.3	7%	0.074	25%	0.248	C	C	.	.	H	α-helix	trans	-98.3	-10	-178.6	59.5	0	0	0	0	114.1	M1 Q997 S998 I999 V1003 Y1004 G1005 V1006 Q1014	M1-T1001 HydrophobicContact CE-CG2 3.66Å; Q997-T1001 VanDerWaalsContact O-CG2 3.31Å; Q997-T1001 WeakPolarHBondContact O-CG2 3.28Å; Q997-T1001 PolarHBondContact O-N 3.22Å; Q997-T1001 VanDerWaalsContact O-N 3.08Å; Q997-T1001 PolarHBondContact O-OG1 3.4Å; S998-T1001 PolarHBondContact O-N 2.8Å; S998-T1001 PolarHBondContact O-OG1 3.24Å; I999-T1001 PolarHBondContact O-N 3.38Å; I999-T1001 VanDerWaalsContact O-N 3.12Å; T1001-V1003 PolarHBondContact O-N 2.92Å; T1001-Y1004 CarbonylContact O-C 3.53Å; T1001-Y1004 WeakPolarHBondContact O-CA 3.47Å; T1001-Y1004 PolarHBondContact O-N 2.77Å; T1001-G1005 PolarHBondContact O-N 2.98Å; T1001-V1006 WeakPolarHBondContact O-CB 3.42Å; T1001-V1006 PolarHBondContact O-N 2.85Å; T1001-Q1014 PolarHBondContact OG1-NE2 3.5Å; T1001-Q1014 PolarHBondContact OG1-OE1 3.13Å
1002	T	81.8	Confident	85.5	Confident	19 Å²	19	44.6 Å²	44.6	12%	0.117	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-44.6	177.6	-61	0	0	0	0	111.6	S998 I999 Y1004 G1005 L1042 I1045	S998-T1002 PolarHBondContact O-N 2.97Å; S998-T1002 PolarHBondContact O-OG1 3.03Å; I999-T1002 PolarHBondContact O-N 2.85Å; I999-T1002 VanDerWaalsContact O-N 3.14Å; T1002-Y1004 PolarHBondContact O-N 3.11Å; T1002-Y1004 VanDerWaalsContact O-N 3.09Å; T1002-G1005 PolarHBondContact O-N 3.07Å; T1002-L1042 HydrophobicContact CG2-CD2 3.85Å; T1002-L1042 VanDerWaalsContact OG1-CD2 3.27Å; T1002-L1042 WeakPolarHBondContact OG1-CD2 3.31Å; T1002-I1045 HydrophobicContact CG2-CD1 4.21Å; T1002-I1045 HydrophobicContact CG2-CG2 4.23Å
1003	V	73	Confident	85.6	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.024	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.7	171.9	-75.4	0	0	0	0	114.5	L933 Y936 M1000 T1001	L933-V1003 HydrophobicContact CB-CG1 4.25Å; L933-V1003 HydrophobicContact CD1-CG1 4.34Å; L933-V1003 HydrophobicContact CD2-CG1 3.09Å; L933-V1003 HydrophobicContact CG-CG1 3.27Å; Y936-V1003 HydrophobicContact CD2-CB 4.18Å; Y936-V1003 HydrophobicContact CD2-CG1 3.86Å; Y936-V1003 HydrophobicContact CE2-CB 3.86Å; Y936-V1003 HydrophobicContact CE2-CG1 3.99Å; Y936-V1003 WeakPolarHBondContact CE2-O 3.46Å; Y936-V1003 PolarHBondContact OH-O 3.45Å; M1000-V1003 VanDerWaalsContact O-CG2 3.3Å; M1000-V1003 WeakPolarHBondContact O-CG2 3.25Å; T1001-V1003 PolarHBondContact O-N 2.92Å
1004	Y	71.3	Confident	85.8	Confident	46 Å²	46	38.2 Å²	38.2	18%	0.18	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	23.9	179.9	-57.8	-54.2	0	0	0	112.7	M1000 T1001 T1002 P1144 I1147 H1148	M1000-Y1004 WeakPolarHBondContact O-CD2 3.45Å; M1000-Y1004 WeakPolarHBondContact O-CE2 3.29Å; T1001-Y1004 CarbonylContact O-C 3.53Å; T1001-Y1004 WeakPolarHBondContact O-CA 3.47Å; T1001-Y1004 PolarHBondContact O-N 2.77Å; T1002-Y1004 PolarHBondContact O-N 3.11Å; T1002-Y1004 VanDerWaalsContact O-N 3.09Å; Y1004-P1144 HydrophobicContact CD1-CB 4.2Å; Y1004-P1144 VanDerWaalsContact O-CB 3.3Å; Y1004-P1144 WeakPolarHBondContact O-CB 3.26Å; Y1004-P1144 WeakPolarHBondContact O-CG 3.5Å; Y1004-I1147 HydrophobicContact CE1-CG2 4.2Å; Y1004-H1148 AromaticContact CD1-CE1 3.28Å; Y1004-H1148 WeakPolarHBondContact CD1-CE1 3.32Å; Y1004-H1148 AromaticContact CD1-ND1 3.8Å; Y1004-H1148 AromaticContact CD1-NE2 3.55Å; Y1004-H1148 AromaticContact CE1-CD2 3.55Å; Y1004-H1148 AromaticContact CE1-CE1 3.49Å; Y1004-H1148 VanDerWaalsContact CE1-CE1 3.49Å; Y1004-H1148 WeakPolarHBondContact CE1-CE1 3.34Å; Y1004-H1148 AromaticContact CE1-CG 3.99Å; Y1004-H1148 AromaticContact CE1-ND1 3.95Å; Y1004-H1148 AromaticContact CE1-NE2 3.26Å; Y1004-H1148 VanDerWaalsContact CE1-NE2 3.26Å; Y1004-H1148 WeakPolarHBondContact CE1-NE2 3.43Å; Y1004-H1148 AromaticContact CE2-NE2 3.92Å; Y1004-H1148 AromaticContact CG-CE1 3.72Å; Y1004-H1148 AromaticContact CZ-CD2 3.89Å; Y1004-H1148 AromaticContact CZ-NE2 3.46Å
1005	G	70.7	Confident	85.9	Confident	32 Å²	32	38.1 Å²	38.1	33%	0.33	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	29.1	171.6	0	0	0	0	0	114.5	T1001 T1002 T1007	T1001-G1005 PolarHBondContact O-N 2.98Å; T1002-G1005 PolarHBondContact O-N 3.07Å; G1005-T1007 PolarHBondContact O-N 3.19Å
1006	V	73.2	Confident	86.1	Confident	31 Å²	31	39.8 Å²	39.8	19%	0.188	21%	0.209	C	C	.	.			trans	-58.9	134.7	174.1	80.8	0	0	0	0	110.3	T1001 A1011 L1042	T1001-V1006 WeakPolarHBondContact O-CB 3.42Å; T1001-V1006 PolarHBondContact O-N 2.85Å; V1006-A1011 HydrophobicContact CG1-CB 4.24Å; V1006-A1011 HydrophobicContact CG2-CB 4.46Å; V1006-L1042 HydrophobicContact CG1-CD2 4.32Å
1007	T	81.3	Confident	86.2	Confident	85 Å²	85	39 Å²	39	52%	0.521	21%	0.205	S	C	.	.			trans	-79.7	160.8	172	63.5	0	0	0	0	110.3	G1005 Y1009 G1010 A1011	G1005-T1007 PolarHBondContact O-N 3.19Å; T1007-Y1009 PolarHBondContact O-N 3.29Å; T1007-Y1009 VanDerWaalsContact O-N 3.14Å; T1007-G1010 WeakPolarHBondContact O-CA 3.28Å; T1007-G1010 PolarHBondContact O-N 3.37Å; T1007-G1010 PolarHBondContact OG1-N 3.31Å; T1007-G1010 VanDerWaalsContact OG1-N 3.14Å; T1007-A1011 PolarHBondContact O-N 3.1Å
1008	S	85.2	Confident	86.4	Confident	70 Å²	70	37.5 Å²	37.5	49%	0.49	20%	0.198	S	C	.	.	H	α-helix	trans	-52.3	-36	171.9	179.8	0	0	0	0	112.6	T1012	S1008-T1012 WeakPolarHBondContact O-CB 3.08Å; S1008-T1012 PolarHBondContact O-N 2.93Å; S1008-T1012 PolarHBondContact O-OG1 2.84Å
1009	Y	88.4	Confident	86.6	Confident	179 Å²	179	37.5 Å²	37.5	70%	0.702	20%	0.198	S	C	*	.	H	α-helix	trans	-65	-46	172.5	179.9	-93.5	0	0	0	112.6	T1007 T1012 E1013	T1007-Y1009 PolarHBondContact O-N 3.29Å; T1007-Y1009 VanDerWaalsContact O-N 3.14Å; Y1009-T1012 WeakPolarHBondContact O-CB 3.46Å; Y1009-T1012 PolarHBondContact O-N 3.21Å; Y1009-E1013 PolarHBondContact O-N 3.21Å
1010	G	89.4	Confident	86.8	Confident	18 Å²	18	42.9 Å²	42.9	19%	0.186	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-43.8	176.7	0	0	0	0	0	112.6	T1007 E1013 Q1014	T1007-G1010 WeakPolarHBondContact O-CA 3.28Å; T1007-G1010 PolarHBondContact O-N 3.37Å; T1007-G1010 PolarHBondContact OG1-N 3.31Å; T1007-G1010 VanDerWaalsContact OG1-N 3.14Å; G1010-E1013 PolarHBondContact O-N 2.93Å; G1010-Q1014 VanDerWaalsContact O-CG 3.31Å; G1010-Q1014 WeakPolarHBondContact O-CG 3.36Å; G1010-Q1014 PolarHBondContact O-N 3.11Å
1011	A	91.7	Very high	86.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-43.5	175.6	0	0	0	0	0	111.5	V1006 T1007 E1013 Q1014 I1015 A1038 L1042	V1006-A1011 HydrophobicContact CG1-CB 4.24Å; V1006-A1011 HydrophobicContact CG2-CB 4.46Å; T1007-A1011 PolarHBondContact O-N 3.1Å; A1011-E1013 VanDerWaalsContact C-N 3.33Å; A1011-E1013 PolarHBondContact O-N 2.58Å; A1011-Q1014 PolarHBondContact O-N 3.03Å; A1011-I1015 WeakPolarHBondContact O-CG1 3.31Å; A1011-I1015 PolarHBondContact O-N 3.48Å; A1011-A1038 HydrophobicContact CB-CB 4.04Å; A1011-L1042 HydrophobicContact CB-CD1 4.09Å; A1011-L1042 HydrophobicContact CB-CG 4.44Å
1012	T	95.7	Very high	87.1	Confident	10 Å²	10	45.2 Å²	45.2	6%	0.061	23%	0.231	C	C	.	.	H	α-helix	trans	-55.8	-48.3	173.7	-62.4	0	0	0	0	110.7	S1008 Y1009 Q1014 I1015 R1016 L1031 S1034 R1035	S1008-T1012 WeakPolarHBondContact O-CB 3.08Å; S1008-T1012 PolarHBondContact O-N 2.93Å; S1008-T1012 PolarHBondContact O-OG1 2.84Å; Y1009-T1012 WeakPolarHBondContact O-CB 3.46Å; Y1009-T1012 PolarHBondContact O-N 3.21Å; T1012-Q1014 PolarHBondContact O-N 3.35Å; T1012-I1015 PolarHBondContact O-N 3.03Å; T1012-R1016 WeakPolarHBondContact O-CB 3.32Å; T1012-R1016 PolarHBondContact O-N 3.12Å; T1012-L1031 HydrophobicContact CG2-CD1 4.16Å; T1012-S1034 WeakPolarHBondContact CG2-OG 3.14Å; T1012-S1034 WeakPolarHBondContact O-CB 3.22Å; T1012-R1035 HydrophobicContact CG2-CB 4.43Å; T1012-R1035 HydrophobicContact CG2-CG 3.58Å
1013	E	93.4	Very high	87.2	Confident	58 Å²	58	50 Å²	50	27%	0.271	26%	0.262	S	S	.	.	H	α-helix	trans	-66	-38.2	-177.6	-175.1	56.4	-150.9	0	0	112.8	Y1009 G1010 A1011 R1016 K1017 R1020	Y1009-E1013 PolarHBondContact O-N 3.21Å; G1010-E1013 PolarHBondContact O-N 2.93Å; A1011-E1013 VanDerWaalsContact C-N 3.33Å; A1011-E1013 PolarHBondContact O-N 2.58Å; E1013-R1016 PolarHBondContact O-N 3.47Å; E1013-R1016 IonicContact OE1-CZ 3.23Å; E1013-R1016 IonicContact OE1-NE 2.6Å; E1013-R1016 IonicContact OE1-NH2 3.23Å; E1013-R1016 PolarHBondContact OE1-NH2 2.97Å; E1013-R1016 IonicContact OE2-CZ 3.71Å; E1013-R1016 IonicContact OE2-NE 3.07Å; E1013-R1016 PolarHBondContact OE2-NE 3.19Å; E1013-R1016 IonicContact OE2-NH2 3.85Å; E1013-R1016 PolarHBondContact OE2-NH2 3.31Å; E1013-K1017 PolarHBondContact O-N 2.9Å; E1013-R1020 IonicContact OE1-NH2 3.94Å
1014	Q	94.3	Very high	88	Confident	25 Å²	25	56 Å²	56	12%	0.117	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-48.6	176.5	-69.2	169.1	6.9	0	0	111.9	Q997 T1001 G1010 A1011 T1012 R1016 K1017 Q1018	Q997-Q1014 VanDerWaalsContact C-OE1 3.3Å; Q997-Q1014 HydrophobicContact CG-CB 4.28Å; Q997-Q1014 HydrophobicContact CG-CG 4.16Å; Q997-Q1014 PolarHBondContact O-OE1 3.3Å; T1001-Q1014 PolarHBondContact OG1-NE2 3.5Å; T1001-Q1014 PolarHBondContact OG1-OE1 3.13Å; G1010-Q1014 VanDerWaalsContact O-CG 3.31Å; G1010-Q1014 WeakPolarHBondContact O-CG 3.36Å; G1010-Q1014 PolarHBondContact O-N 3.11Å; A1011-Q1014 PolarHBondContact O-N 3.03Å; T1012-Q1014 PolarHBondContact O-N 3.35Å; Q1014-R1016 VanDerWaalsContact C-N 3.3Å; Q1014-R1016 PolarHBondContact O-N 3.38Å; Q1014-K1017 WeakPolarHBondContact O-CB 3.24Å; Q1014-K1017 PolarHBondContact O-N 2.96Å; Q1014-Q1018 PolarHBondContact O-N 3.46Å; Q1014-Q1018 VanDerWaalsContact O-N 3.16Å
1015	I	96.1	Very high	89	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-42	176.2	-70.2	165	0	0	0	110.2	V994 A1011 T1012 K1017 Q1018 L1019 L1037 A1038	V994-I1015 HydrophobicContact CG1-CG2 3.93Å; A1011-I1015 WeakPolarHBondContact O-CG1 3.31Å; A1011-I1015 PolarHBondContact O-N 3.48Å; T1012-I1015 PolarHBondContact O-N 3.03Å; I1015-K1017 PolarHBondContact O-N 3.04Å; I1015-Q1018 PolarHBondContact O-N 3.36Å; I1015-Q1018 VanDerWaalsContact O-N 3.15Å; I1015-L1019 HydrophobicContact CG2-CD1 3.89Å; I1015-L1019 HydrophobicContact CG2-CG 4.16Å; I1015-L1019 WeakPolarHBondContact O-CG 3.48Å; I1015-L1019 PolarHBondContact O-N 3.01Å; I1015-L1037 HydrophobicContact CD1-CB 4.05Å; I1015-L1037 HydrophobicContact CG2-CB 4.05Å; I1015-L1037 HydrophobicContact CG2-CD1 3.9Å; I1015-A1038 HydrophobicContact CD1-CB 3.92Å
1016	R	95.7	Very high	90	Very high	36 Å²	36	55.5 Å²	55.5	14%	0.136	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-33.1	177.5	-165.3	178.7	70.7	78.8	-4.1	112.5	T1012 E1013 Q1014 R1020 L1030	T1012-R1016 WeakPolarHBondContact O-CB 3.32Å; T1012-R1016 PolarHBondContact O-N 3.12Å; E1013-R1016 PolarHBondContact O-N 3.47Å; E1013-R1016 IonicContact OE1-CZ 3.23Å; E1013-R1016 IonicContact OE1-NE 2.6Å; E1013-R1016 IonicContact OE1-NH2 3.23Å; E1013-R1016 PolarHBondContact OE1-NH2 2.97Å; E1013-R1016 IonicContact OE2-CZ 3.71Å; E1013-R1016 IonicContact OE2-NE 3.07Å; E1013-R1016 PolarHBondContact OE2-NE 3.19Å; E1013-R1016 IonicContact OE2-NH2 3.85Å; E1013-R1016 PolarHBondContact OE2-NH2 3.31Å; Q1014-R1016 VanDerWaalsContact C-N 3.3Å; Q1014-R1016 PolarHBondContact O-N 3.38Å; R1016-R1020 VanDerWaalsContact CZ-NH2 3.3Å; R1016-R1020 WeakPolarHBondContact O-CB 3.21Å; R1016-R1020 PolarHBondContact O-N 2.99Å; R1016-L1030 HydrophobicContact CG-CB 4.32Å
1017	K	92.8	Very high	90.7	Very high	58 Å²	58	62.7 Å²	62.7	25%	0.252	32%	0.319	S	S	.	.	H	α-helix	trans	-65.6	-51.9	173	-176.1	-179.9	175.7	178.1	0	110.1	E1013 Q1014 I1015 L1019 R1020 D1021	E1013-K1017 PolarHBondContact O-N 2.9Å; Q1014-K1017 WeakPolarHBondContact O-CB 3.24Å; Q1014-K1017 PolarHBondContact O-N 2.96Å; I1015-K1017 PolarHBondContact O-N 3.04Å; K1017-L1019 PolarHBondContact O-N 3.02Å; K1017-R1020 WeakPolarHBondContact O-CB 3.47Å; K1017-R1020 PolarHBondContact O-N 3.28Å; K1017-R1020 VanDerWaalsContact O-N 3.09Å; K1017-D1021 PolarHBondContact O-N 3.3Å
1018	Q	94.2	Very high	91	Very high	31 Å²	31	67.6 Å²	67.6	15%	0.145	34%	0.336	C	S	.	.	H	α-helix	trans	-61.7	-40.6	-179.9	-60.8	-59.9	-35.5	0	0	112.9	V994 Q1014 I1015 R1020 D1021	V994-Q1018 HydrophobicContact CB-CB 4.49Å; V994-Q1018 HydrophobicContact CG1-CB 4.5Å; V994-Q1018 HydrophobicContact CG2-CB 4.49Å; Q1014-Q1018 PolarHBondContact O-N 3.46Å; Q1014-Q1018 VanDerWaalsContact O-N 3.16Å; I1015-Q1018 PolarHBondContact O-N 3.36Å; I1015-Q1018 VanDerWaalsContact O-N 3.15Å; Q1018-R1020 VanDerWaalsContact C-N 3.3Å; Q1018-R1020 PolarHBondContact O-N 3.48Å; Q1018-D1021 PolarHBondContact O-N 3.19Å
1019	L	94.9	Very high	91.4	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.8	-31.7	175.6	-71.9	176.1	0	0	0	112.8	L986 V994 I1015 K1017 D1021 L1022 F1025 L1030 A1033 L1037	L986-L1019 HydrophobicContact CD2-CD2 4.5Å; V994-L1019 HydrophobicContact CG1-CD2 3.84Å; V994-L1019 HydrophobicContact CG1-CG 4.03Å; V994-L1019 HydrophobicContact CG2-CD2 4.37Å; I1015-L1019 HydrophobicContact CG2-CD1 3.89Å; I1015-L1019 HydrophobicContact CG2-CG 4.16Å; I1015-L1019 WeakPolarHBondContact O-CG 3.48Å; I1015-L1019 PolarHBondContact O-N 3.01Å; K1017-L1019 PolarHBondContact O-N 3.02Å; L1019-D1021 VanDerWaalsContact C-N 3.29Å; L1019-L1022 HydrophobicContact CD2-CD1 4.08Å; L1019-L1022 PolarHBondContact O-N 3.43Å; L1019-F1025 HydrophobicContact CB-CD1 4.16Å; L1019-F1025 HydrophobicContact CB-CE1 4.41Å; L1019-F1025 HydrophobicContact CB-CG 4.48Å; L1019-F1025 HydrophobicContact CD1-CE1 4.24Å; L1019-F1025 HydrophobicContact CD1-CZ 4.21Å; L1019-F1025 HydrophobicContact CD2-CD2 4.16Å; L1019-F1025 HydrophobicContact CD2-CE2 4.2Å; L1019-F1025 HydrophobicContact CD2-CG 4.4Å; L1019-F1025 HydrophobicContact CD2-CZ 4.47Å; L1019-L1030 HydrophobicContact CB-CD2 3.78Å; L1019-A1033 HydrophobicContact CD1-CB 4.13Å; L1019-L1037 HydrophobicContact CD1-CD1 4.36Å
1020	R	91	Very high	91.6	Very high	115 Å²	115	57.8 Å²	57.8	43%	0.434	29%	0.292	S	S	.	.	H	α-helix	trans	-69.1	-32.3	177.3	-171.2	-166.8	-50.9	160.1	15.7	111.9	E1013 R1016 K1017 Q1018 L1022 L1030	E1013-R1020 IonicContact OE1-NH2 3.94Å; R1016-R1020 VanDerWaalsContact CZ-NH2 3.3Å; R1016-R1020 WeakPolarHBondContact O-CB 3.21Å; R1016-R1020 PolarHBondContact O-N 2.99Å; K1017-R1020 WeakPolarHBondContact O-CB 3.47Å; K1017-R1020 PolarHBondContact O-N 3.28Å; K1017-R1020 VanDerWaalsContact O-N 3.09Å; Q1018-R1020 VanDerWaalsContact C-N 3.3Å; Q1018-R1020 PolarHBondContact O-N 3.48Å; R1020-L1022 PolarHBondContact O-N 3.35Å; R1020-L1030 HydrophobicContact CB-CD2 4.28Å; R1020-L1030 HydrophobicContact CG-CD1 4.47Å
1021	D	86.9	Confident	91.9	Very high	101 Å²	101	60.4 Å²	60.4	54%	0.54	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-3.1	-179.4	-59.1	-16.5	0	0	0	111.9	K1017 Q1018 L1019	K1017-D1021 PolarHBondContact O-N 3.3Å; Q1018-D1021 PolarHBondContact O-N 3.19Å; L1019-D1021 VanDerWaalsContact C-N 3.29Å
1022	L	89.1	Confident	92.1	Very high	32 Å²	32	63 Å²	63	17%	0.168	32%	0.318	C	S	.	.	S	Bend	trans	-86.8	124.2	171.4	-62.5	175.8	0	0	0	109.9	F989 V994 L1019 R1020 D1024 F1025	F989-L1022 HydrophobicContact CD1-CD1 4Å; V994-L1022 HydrophobicContact CG2-CD1 4.04Å; L1019-L1022 HydrophobicContact CD2-CD1 4.08Å; L1019-L1022 PolarHBondContact O-N 3.43Å; R1020-L1022 PolarHBondContact O-N 3.35Å; L1022-D1024 VanDerWaalsContact C-N 3.31Å; L1022-D1024 PolarHBondContact O-N 3.46Å; L1022-F1025 HydrophobicContact CB-CB 4.13Å; L1022-F1025 PolarHBondContact O-N 3.39Å
1023	P	83.9	Confident	92.2	Very high	118 Å²	118	62.6 Å²	62.6	77%	0.766	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-34.6	-174.1	23	-32.6	0	0	0	113.4
1024	D	89	Confident	92.3	Very high	130 Å²	130	59.8 Å²	59.8	70%	0.695	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	2	-171.7	-51.6	-47.5	0	0	0	114.1	F989 L1022	F989-D1024 HydrophobicContact CE1-CB 4.21Å; F989-D1024 HydrophobicContact CZ-CB 4.28Å; L1022-D1024 VanDerWaalsContact C-N 3.31Å; L1022-D1024 PolarHBondContact O-N 3.46Å
1025	F	93.2	Very high	92.4	Very high	12 Å²	12	65.5 Å²	65.5	5%	0.053	32%	0.323	C	S	.	.	S	Bend	trans	-84	129.4	-174.6	-167.2	-94.9	0	0	0	112.7	T985 L986 F989 L1019 L1022 K1027 L1030 A1033	T985-F1025 HydrophobicContact CG2-CE2 4.49Å; T985-F1025 HydrophobicContact CG2-CZ 4.49Å; L986-F1025 HydrophobicContact CD2-CE2 3.96Å; L986-F1025 HydrophobicContact CD2-CZ 4.26Å; F989-F1025 HydrophobicContact CB-CD2 4.22Å; F989-F1025 HydrophobicContact CB-CE2 4.42Å; F989-F1025 AromaticContact CD1-CD2 3.92Å; F989-F1025 HydrophobicContact CD1-CD2 3.92Å; F989-F1025 AromaticContact CD2-CD2 3.82Å; F989-F1025 HydrophobicContact CD2-CD2 3.82Å; F989-F1025 HydrophobicContact CD2-CE2 4.1Å; F989-F1025 HydrophobicContact CE1-CB 4.32Å; F989-F1025 HydrophobicContact CE1-CD2 4.19Å; F989-F1025 HydrophobicContact CE2-CD2 4.1Å; F989-F1025 AromaticContact CG-CD2 3.72Å; F989-F1025 HydrophobicContact CG-CD2 3.72Å; F989-F1025 HydrophobicContact CG-CE2 4.21Å; F989-F1025 HydrophobicContact CZ-CD2 4.27Å; L1019-F1025 HydrophobicContact CB-CD1 4.16Å; L1019-F1025 HydrophobicContact CB-CE1 4.41Å; L1019-F1025 HydrophobicContact CB-CG 4.48Å; L1019-F1025 HydrophobicContact CD1-CE1 4.24Å; L1019-F1025 HydrophobicContact CD1-CZ 4.21Å; L1019-F1025 HydrophobicContact CD2-CD2 4.16Å; L1019-F1025 HydrophobicContact CD2-CE2 4.2Å; L1019-F1025 HydrophobicContact CD2-CG 4.4Å; L1019-F1025 HydrophobicContact CD2-CZ 4.47Å; L1022-F1025 HydrophobicContact CB-CB 4.13Å; L1022-F1025 PolarHBondContact O-N 3.39Å; F1025-K1027 PolarHBondContact O-N 3.24Å; F1025-L1030 HydrophobicContact CD1-CD2 3.56Å; F1025-L1030 HydrophobicContact CD1-CG 4.14Å; F1025-L1030 HydrophobicContact CE1-CD2 3.87Å; F1025-L1030 HydrophobicContact CE1-CG 4.24Å; F1025-A1033 HydrophobicContact CE1-CB 4.19Å; F1025-A1033 HydrophobicContact CZ-CB 3.55Å
1026	P	90.9	Very high	92.5	Very high	57 Å²	57	66.1 Å²	66.1	37%	0.37	33%	0.325	S	S	.	.			trans	-61.2	120.6	-178.4	-24.4	34.1	0	0	0	113.5	T985 E1028 S1029 L1030	T985-P1026 HydrophobicContact CG2-CG 4.01Å; P1026-E1028 PolarHBondContact O-N 3.15Å; P1026-S1029 PolarHBondContact O-N 2.83Å; P1026-S1029 VanDerWaalsContact O-N 3.13Å; P1026-L1030 PolarHBondContact O-N 3.46Å
1027	K	86.9	Confident	92.6	Very high	182 Å²	182	64.4 Å²	64.4	79%	0.791	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-59.4	-32.9	-177.4	-69.8	-175.8	-179.1	176.4	0	113.5	F1025 S1029 L1030	F1025-K1027 PolarHBondContact O-N 3.24Å; K1027-S1029 VanDerWaalsContact C-N 3.34Å; K1027-L1030 HydrophobicContact CB-CD1 4.36Å; K1027-L1030 WeakPolarHBondContact O-CB 3.18Å; K1027-L1030 WeakPolarHBondContact O-CD1 3.49Å; K1027-L1030 WeakPolarHBondContact O-CG 3.43Å
1028	E	89	Confident	92.7	Very high	188 Å²	188	61.6 Å²	61.6	88%	0.879	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-70.3	-32.3	-179	-53.8	-164.1	179.4	0	0	112.2	P1026	P1026-E1028 PolarHBondContact O-N 3.15Å
1029	S	93.3	Very high	92.7	Very high	22 Å²	22	65.3 Å²	65.3	15%	0.154	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-85.2	-5.8	-178.5	-58.8	0	0	0	0	113.6	P1026 K1027 L1031 P1032 A1033	P1026-S1029 PolarHBondContact O-N 2.83Å; P1026-S1029 VanDerWaalsContact O-N 3.13Å; K1027-S1029 VanDerWaalsContact C-N 3.34Å; S1029-L1031 PolarHBondContact O-N 2.75Å; S1029-P1032 WeakPolarHBondContact O-CD 3.33Å; S1029-A1033 WeakPolarHBondContact O-CB 3.34Å; S1029-A1033 PolarHBondContact O-N 3.45Å
1030	L	93.4	Very high	92.7	Very high	21 Å²	21	65.8 Å²	65.8	11%	0.11	32%	0.322	C	S	.	.	H	α-helix	trans	-51.5	-49.2	-175.1	-79.4	171.3	0	0	0	113.9	R1016 L1019 R1020 F1025 P1026 K1027 S1034	R1016-L1030 HydrophobicContact CG-CB 4.32Å; L1019-L1030 HydrophobicContact CB-CD2 3.78Å; R1020-L1030 HydrophobicContact CB-CD2 4.28Å; R1020-L1030 HydrophobicContact CG-CD1 4.47Å; F1025-L1030 HydrophobicContact CD1-CD2 3.56Å; F1025-L1030 HydrophobicContact CD1-CG 4.14Å; F1025-L1030 HydrophobicContact CE1-CD2 3.87Å; F1025-L1030 HydrophobicContact CE1-CG 4.24Å; P1026-L1030 PolarHBondContact O-N 3.46Å; K1027-L1030 HydrophobicContact CB-CD1 4.36Å; K1027-L1030 WeakPolarHBondContact O-CB 3.18Å; K1027-L1030 WeakPolarHBondContact O-CD1 3.49Å; K1027-L1030 WeakPolarHBondContact O-CG 3.43Å; L1030-S1034 VanDerWaalsContact O-CB 3.23Å; L1030-S1034 WeakPolarHBondContact O-CB 3.38Å; L1030-S1034 PolarHBondContact O-N 3.46Å; L1030-S1034 PolarHBondContact O-OG 3.42Å
1031	L	94	Very high	92.8	Very high	73 Å²	73	60.3 Å²	60.3	38%	0.382	30%	0.301	S	S	.	.	H	α-helix	trans	-76	-47.4	-176.3	-179.3	63.3	0	0	0	112.7	T1012 S1029 S1034 R1035	T1012-L1031 HydrophobicContact CG2-CD1 4.16Å; S1029-L1031 PolarHBondContact O-N 2.75Å; L1031-S1034 WeakPolarHBondContact CA-OG 3.41Å; L1031-S1034 PolarHBondContact O-OG 2.94Å; L1031-R1035 HydrophobicContact CD1-CG 4.38Å; L1031-R1035 WeakPolarHBondContact O-CG 3.33Å; L1031-R1035 PolarHBondContact O-N 2.96Å; L1031-R1035 VanDerWaalsContact O-N 3.12Å
1032	P	96.1	Very high	92.9	Very high	55 Å²	55	56.4 Å²	56.4	36%	0.357	28%	0.28	S	S	.	.	H	α-helix	trans	-57.8	-46.1	172.8	-26.6	35.3	0	0	0	113.3	I982 S1029 R1035 Y1036	I982-P1032 HydrophobicContact CD1-CB 3.58Å; I982-P1032 HydrophobicContact CD1-CG 4.39Å; I982-P1032 HydrophobicContact CG1-CB 3.86Å; S1029-P1032 WeakPolarHBondContact O-CD 3.33Å; P1032-R1035 PolarHBondContact O-N 3.2Å; P1032-Y1036 WeakPolarHBondContact O-CB 3.39Å; P1032-Y1036 PolarHBondContact O-N 2.98Å
1033	A	97.3	Very high	92.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.4	-42.8	-178.9	0	0	0	0	0	112.7	I982 L986 L1019 F1025 S1029 R1035 Y1036 L1037	I982-A1033 HydrophobicContact CG2-CB 3.98Å; L986-A1033 HydrophobicContact CD1-CB 4.11Å; L986-A1033 HydrophobicContact CD2-CB 3.96Å; L986-A1033 HydrophobicContact CG-CB 4.04Å; L1019-A1033 HydrophobicContact CD1-CB 4.13Å; F1025-A1033 HydrophobicContact CE1-CB 4.19Å; F1025-A1033 HydrophobicContact CZ-CB 3.55Å; S1029-A1033 WeakPolarHBondContact O-CB 3.34Å; S1029-A1033 PolarHBondContact O-N 3.45Å; A1033-R1035 PolarHBondContact O-N 3.35Å; A1033-Y1036 WeakPolarHBondContact O-CB 3.45Å; A1033-Y1036 PolarHBondContact O-N 3.42Å; A1033-L1037 WeakPolarHBondContact O-CG 3.28Å; A1033-L1037 PolarHBondContact O-N 3.39Å
1034	S	97	Very high	93.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-38.5	176	53	0	0	0	0	113.1	T1012 L1030 L1031 A1038	T1012-S1034 WeakPolarHBondContact CG2-OG 3.14Å; T1012-S1034 WeakPolarHBondContact O-CB 3.22Å; L1030-S1034 VanDerWaalsContact O-CB 3.23Å; L1030-S1034 WeakPolarHBondContact O-CB 3.38Å; L1030-S1034 PolarHBondContact O-N 3.46Å; L1030-S1034 PolarHBondContact O-OG 3.42Å; L1031-S1034 WeakPolarHBondContact CA-OG 3.41Å; L1031-S1034 PolarHBondContact O-OG 2.94Å; S1034-A1038 WeakPolarHBondContact O-CB 3.19Å; S1034-A1038 PolarHBondContact O-N 3.2Å
1035	R	96.7	Very high	92.8	Very high	145 Å²	145	47.7 Å²	47.7	55%	0.547	23%	0.228	S	C	.	.	H	α-helix	trans	-65.1	-43.3	174	-74	176.3	-179.1	158.5	-4	111.8	T1012 L1031 P1032 A1033 A1038 R1039	T1012-R1035 HydrophobicContact CG2-CB 4.43Å; T1012-R1035 HydrophobicContact CG2-CG 3.58Å; L1031-R1035 HydrophobicContact CD1-CG 4.38Å; L1031-R1035 WeakPolarHBondContact O-CG 3.33Å; L1031-R1035 PolarHBondContact O-N 2.96Å; L1031-R1035 VanDerWaalsContact O-N 3.12Å; P1032-R1035 PolarHBondContact O-N 3.2Å; A1033-R1035 PolarHBondContact O-N 3.35Å; R1035-A1038 PolarHBondContact O-N 3.11Å; R1035-R1039 WeakPolarHBondContact O-CB 3.42Å; R1035-R1039 PolarHBondContact O-N 2.96Å
1036	Y	97.4	Very high	92.3	Very high	12 Å²	12	52.1 Å²	52.1	5%	0.047	25%	0.249	C	C	.	.	H	α-helix	trans	-58.6	-53	177.4	174.3	-88.1	0	0	0	111.1	R972 D975 I982 A983 L986 P1032 A1033 A1038 R1039 L1040	R972-Y1036 VanDerWaalsContact CA-OH 3.29Å; R972-Y1036 WeakPolarHBondContact CA-OH 3.46Å; R972-Y1036 HydrophobicContact CB-CE1 4.35Å; R972-Y1036 HydrophobicContact CG-CE1 4.24Å; D975-Y1036 HydrophobicContact CB-CE2 4.33Å; D975-Y1036 VanDerWaalsContact CB-OH 3.29Å; D975-Y1036 WeakPolarHBondContact CB-OH 3.3Å; D975-Y1036 VanDerWaalsContact OD2-CE2 3.32Å; D975-Y1036 WeakPolarHBondContact OD2-CE2 3.49Å; D975-Y1036 PolarHBondContact OD2-OH 2.79Å; I982-Y1036 HydrophobicContact CG2-CG 4.21Å; A983-Y1036 HydrophobicContact CB-CE2 4.34Å; L986-Y1036 HydrophobicContact CD1-CD1 3.37Å; L986-Y1036 HydrophobicContact CD1-CE1 3.86Å; L986-Y1036 HydrophobicContact CD1-CG 4.24Å; P1032-Y1036 WeakPolarHBondContact O-CB 3.39Å; P1032-Y1036 PolarHBondContact O-N 2.98Å; A1033-Y1036 WeakPolarHBondContact O-CB 3.45Å; A1033-Y1036 PolarHBondContact O-N 3.42Å; Y1036-A1038 PolarHBondContact O-N 3.01Å; Y1036-R1039 PolarHBondContact O-N 3.41Å; Y1036-L1040 HydrophobicContact CD1-CD1 4.25Å; Y1036-L1040 HydrophobicContact CE1-CD1 3.45Å; Y1036-L1040 VanDerWaalsContact CE1-CD1 3.45Å; Y1036-L1040 HydrophobicContact CE1-CG 4.29Å; Y1036-L1040 HydrophobicContact CE2-CD1 4.28Å; Y1036-L1040 VanDerWaalsContact CZ-CD1 3.46Å; Y1036-L1040 PolarHBondContact O-N 3.43Å; Y1036-L1040 VanDerWaalsContact O-N 3.14Å; Y1036-L1040 WeakPolarHBondContact OH-CD1 3.37Å
1037	L	97	Very high	91.8	Very high	0 Å²	0	57 Å²	57	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-40.2	178.5	-72	-177.1	0	0	0	112.3	V968 L986 V990 V994 I1015 L1019 A1033 R1039 L1040 T1041	V968-L1037 HydrophobicContact CG1-CD2 3.77Å; L986-L1037 HydrophobicContact CD1-CD1 4.37Å; L986-L1037 HydrophobicContact CD1-CD2 3.9Å; L986-L1037 HydrophobicContact CD1-CG 3.8Å; L986-L1037 HydrophobicContact CD2-CD1 3.72Å; L986-L1037 HydrophobicContact CD2-CD2 4.46Å; L986-L1037 HydrophobicContact CD2-CG 4.09Å; V990-L1037 HydrophobicContact CG2-CD2 4Å; V994-L1037 HydrophobicContact CG1-CD1 4.01Å; I1015-L1037 HydrophobicContact CD1-CB 4.05Å; I1015-L1037 HydrophobicContact CG2-CB 4.05Å; I1015-L1037 HydrophobicContact CG2-CD1 3.9Å; L1019-L1037 HydrophobicContact CD1-CD1 4.36Å; A1033-L1037 WeakPolarHBondContact O-CG 3.28Å; A1033-L1037 PolarHBondContact O-N 3.39Å; L1037-R1039 VanDerWaalsContact C-N 3.35Å; L1037-R1039 PolarHBondContact O-N 2.82Å; L1037-L1040 PolarHBondContact O-N 3.2Å; L1037-T1041 VanDerWaalsContact O-CB 3.24Å; L1037-T1041 WeakPolarHBondContact O-CB 3.35Å; L1037-T1041 PolarHBondContact O-N 3.28Å; L1037-T1041 PolarHBondContact O-OG1 3.3Å
1038	A	95.1	Very high	91.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-45.5	178.4	0	0	0	0	0	111.5	A1011 I1015 S1034 R1035 Y1036 T1041 L1042	A1011-A1038 HydrophobicContact CB-CB 4.04Å; I1015-A1038 HydrophobicContact CD1-CB 3.92Å; S1034-A1038 WeakPolarHBondContact O-CB 3.19Å; S1034-A1038 PolarHBondContact O-N 3.2Å; R1035-A1038 PolarHBondContact O-N 3.11Å; Y1036-A1038 PolarHBondContact O-N 3.01Å; A1038-T1041 PolarHBondContact O-N 2.91Å; A1038-L1042 WeakPolarHBondContact O-CB 3.48Å; A1038-L1042 VanDerWaalsContact O-CG 3.24Å; A1038-L1042 WeakPolarHBondContact O-CG 3.33Å; A1038-L1042 PolarHBondContact O-N 3.14Å
1039	R	95.1	Very high	91.2	Very high	108 Å²	108	40.2 Å²	40.2	41%	0.408	19%	0.19	S	C	.	.	H	α-helix	trans	-59.7	-50.3	176.4	178.5	-179.1	59.2	83.6	4.9	111.6	D975 R1035 Y1036 L1037 N1043	D975-R1039 IonicContact OD2-NH2 3.58Å; R1035-R1039 WeakPolarHBondContact O-CB 3.42Å; R1035-R1039 PolarHBondContact O-N 2.96Å; Y1036-R1039 PolarHBondContact O-N 3.41Å; L1037-R1039 VanDerWaalsContact C-N 3.35Å; L1037-R1039 PolarHBondContact O-N 2.82Å; R1039-N1043 WeakPolarHBondContact O-CB 3.33Å; R1039-N1043 PolarHBondContact O-N 3.17Å; R1039-N1043 VanDerWaalsContact O-N 3.09Å; R1039-N1043 PolarHBondContact O-ND2 3.34Å; R1039-N1043 PolarHBondContact O-OD1 3.16Å
1040	L	94.4	Very high	90.7	Very high	10 Å²	10	43 Å²	43	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-45.2	179.7	-67.4	-169.5	0	0	0	112	V968 Q971 Y1036 L1037 L1042 N1043 S1044	V968-L1040 HydrophobicContact CG1-CB 4.21Å; V968-L1040 HydrophobicContact CG1-CD1 4.29Å; V968-L1040 HydrophobicContact CG2-CB 4.18Å; Q971-L1040 HydrophobicContact CB-CD1 4.08Å; Q971-L1040 HydrophobicContact CG-CD1 3.92Å; Q971-L1040 HydrophobicContact CG-CD2 3.74Å; Q971-L1040 HydrophobicContact CG-CG 4.48Å; Y1036-L1040 HydrophobicContact CD1-CD1 4.25Å; Y1036-L1040 HydrophobicContact CE1-CD1 3.45Å; Y1036-L1040 VanDerWaalsContact CE1-CD1 3.45Å; Y1036-L1040 HydrophobicContact CE1-CG 4.29Å; Y1036-L1040 HydrophobicContact CE2-CD1 4.28Å; Y1036-L1040 VanDerWaalsContact CZ-CD1 3.46Å; Y1036-L1040 PolarHBondContact O-N 3.43Å; Y1036-L1040 VanDerWaalsContact O-N 3.14Å; Y1036-L1040 WeakPolarHBondContact OH-CD1 3.37Å; L1037-L1040 PolarHBondContact O-N 3.2Å; L1040-L1042 PolarHBondContact O-N 3.35Å; L1040-N1043 PolarHBondContact O-N 2.94Å; L1040-S1044 WeakPolarHBondContact O-CB 3.49Å; L1040-S1044 PolarHBondContact O-N 2.96Å; L1040-S1044 PolarHBondContact O-OG 3.47Å
1041	T	92.8	Very high	90.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.5	-49.6	-179.6	-58.3	0	0	0	0	111.3	V964 I995 I999 L1037 A1038 S1044 I1045	V964-T1041 HydrophobicContact CG1-CG2 4.19Å; I995-T1041 HydrophobicContact CB-CG2 4.34Å; I999-T1041 HydrophobicContact CD1-CG2 4.41Å; I999-T1041 HydrophobicContact CG1-CG2 3.72Å; L1037-T1041 VanDerWaalsContact O-CB 3.24Å; L1037-T1041 WeakPolarHBondContact O-CB 3.35Å; L1037-T1041 PolarHBondContact O-N 3.28Å; L1037-T1041 PolarHBondContact O-OG1 3.3Å; A1038-T1041 PolarHBondContact O-N 2.91Å; T1041-S1044 PolarHBondContact O-N 3.33Å; T1041-I1045 HydrophobicContact CG2-CD1 4.06Å; T1041-I1045 VanDerWaalsContact O-CG1 3.3Å; T1041-I1045 WeakPolarHBondContact O-CG1 3.38Å; T1041-I1045 PolarHBondContact O-N 3.12Å; T1041-I1045 VanDerWaalsContact O-N 3.14Å
1042	L	89.7	Confident	90.1	Very high	19 Å²	19	39.1 Å²	39.1	10%	0.099	19%	0.187	C	C	.	.	H	α-helix	trans	-63.8	-45.2	-179.9	-68.4	174.1	0	0	0	111.6	T1002 V1006 A1011 A1038 L1040 S1044 I1045 E1046	T1002-L1042 HydrophobicContact CG2-CD2 3.85Å; T1002-L1042 VanDerWaalsContact OG1-CD2 3.27Å; T1002-L1042 WeakPolarHBondContact OG1-CD2 3.31Å; V1006-L1042 HydrophobicContact CG1-CD2 4.32Å; A1011-L1042 HydrophobicContact CB-CD1 4.09Å; A1011-L1042 HydrophobicContact CB-CG 4.44Å; A1038-L1042 WeakPolarHBondContact O-CB 3.48Å; A1038-L1042 VanDerWaalsContact O-CG 3.24Å; A1038-L1042 WeakPolarHBondContact O-CG 3.33Å; A1038-L1042 PolarHBondContact O-N 3.14Å; L1040-L1042 PolarHBondContact O-N 3.35Å; L1042-S1044 VanDerWaalsContact C-N 3.28Å; L1042-S1044 PolarHBondContact O-N 3.4Å; L1042-I1045 PolarHBondContact O-N 2.88Å; L1042-E1046 WeakPolarHBondContact O-CG 3.46Å; L1042-E1046 PolarHBondContact O-N 3.28Å
1043	N	88.8	Confident	89.7	Confident	73 Å²	73	38.5 Å²	38.5	39%	0.39	18%	0.182	S	C	.	.	H	α-helix	trans	-61.1	-36.3	177.8	-70.6	-2.6	0	0	0	112.5	R1039 L1040 K1047	R1039-N1043 WeakPolarHBondContact O-CB 3.33Å; R1039-N1043 PolarHBondContact O-N 3.17Å; R1039-N1043 VanDerWaalsContact O-N 3.09Å; R1039-N1043 PolarHBondContact O-ND2 3.34Å; R1039-N1043 PolarHBondContact O-OD1 3.16Å; L1040-N1043 PolarHBondContact O-N 2.94Å; N1043-K1047 WeakPolarHBondContact O-CG 3.12Å; N1043-K1047 PolarHBondContact O-N 3.36Å
1044	S	87.2	Confident	89.5	Confident	15 Å²	15	42.7 Å²	42.7	11%	0.105	20%	0.204	C	C	.	.	H	α-helix	trans	-67.3	-42.1	176.9	-64.3	0	0	0	0	111.8	I967 L1040 T1041 L1042 K1047 V1048	I967-S1044 VanDerWaalsContact CG2-OG 3.31Å; I967-S1044 WeakPolarHBondContact CG2-OG 3.45Å; L1040-S1044 WeakPolarHBondContact O-CB 3.49Å; L1040-S1044 PolarHBondContact O-N 2.96Å; L1040-S1044 PolarHBondContact O-OG 3.47Å; T1041-S1044 PolarHBondContact O-N 3.33Å; L1042-S1044 VanDerWaalsContact C-N 3.28Å; L1042-S1044 PolarHBondContact O-N 3.4Å; S1044-K1047 PolarHBondContact O-N 3.47Å; S1044-V1048 WeakPolarHBondContact O-CG2 3.44Å; S1044-V1048 PolarHBondContact O-N 2.88Å
1045	I	84.2	Confident	89.4	Confident	9 Å²	9	42.7 Å²	42.7	5%	0.046	20%	0.204	C	C	.	.	H	α-helix	trans	-66.9	-44.9	179.6	-61.9	162.7	0	0	0	111.2	V964 I999 T1002 T1041 L1042 K1047 V1048 F1049	V964-I1045 HydrophobicContact CG2-CG1 4.39Å; I999-I1045 HydrophobicContact CB-CD1 4.11Å; I999-I1045 HydrophobicContact CG1-CD1 3.83Å; I999-I1045 HydrophobicContact CG1-CG1 4.45Å; I999-I1045 HydrophobicContact CG2-CD1 4.09Å; T1002-I1045 HydrophobicContact CG2-CD1 4.21Å; T1002-I1045 HydrophobicContact CG2-CG2 4.23Å; T1041-I1045 HydrophobicContact CG2-CD1 4.06Å; T1041-I1045 VanDerWaalsContact O-CG1 3.3Å; T1041-I1045 WeakPolarHBondContact O-CG1 3.38Å; T1041-I1045 PolarHBondContact O-N 3.12Å; T1041-I1045 VanDerWaalsContact O-N 3.14Å; L1042-I1045 PolarHBondContact O-N 2.88Å; I1045-K1047 PolarHBondContact O-N 3.42Å; I1045-V1048 PolarHBondContact O-N 2.79Å; I1045-F1049 HydrophobicContact CG2-CD2 4.16Å; I1045-F1049 PolarHBondContact O-N 3.06Å
1046	E	82.3	Confident	89.1	Confident	105 Å²	105	37.4 Å²	37.4	49%	0.491	19%	0.186	S	C	.	.	H	α-helix	trans	-58.3	-34	-178.9	-74.5	179.1	-175.8	0	0	112.4	L1042 V1053	L1042-E1046 WeakPolarHBondContact O-CG 3.46Å; L1042-E1046 PolarHBondContact O-N 3.28Å; E1046-V1053 HydrophobicContact CB-CG2 4.46Å; E1046-V1053 HydrophobicContact CG-CG2 4.2Å
1047	K	80.1	Confident	88.9	Confident	160 Å²	160	40.7 Å²	40.7	70%	0.696	20%	0.204	S	C	*	.	H	α-helix	trans	-72.4	-25.3	176.1	-70.9	176.2	-180	-178.6	0	113.8	N1043 S1044 I1045	N1043-K1047 WeakPolarHBondContact O-CG 3.12Å; N1043-K1047 PolarHBondContact O-N 3.36Å; S1044-K1047 PolarHBondContact O-N 3.47Å; I1045-K1047 PolarHBondContact O-N 3.42Å
1048	V	79.2	Confident	88.9	Confident	16 Å²	16	41.3 Å²	41.3	10%	0.097	21%	0.207	C	C	.	.	H	α-helix	trans	-88.7	-38.1	-179.1	179.2	0	0	0	0	111.2	S1044 I1045	S1044-V1048 WeakPolarHBondContact O-CG2 3.44Å; S1044-V1048 PolarHBondContact O-N 2.88Å; I1045-V1048 PolarHBondContact O-N 2.79Å
1049	F	83.8	Confident	88.9	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.009	21%	0.207	C	C	.	.			trans	-115.8	61.5	-172.5	-69.9	-85	0	0	0	112.9	L933 V949 L960 I1045 S1051 S1052 V1053	L933-F1049 HydrophobicContact CB-CE1 4.11Å; L933-F1049 HydrophobicContact CB-CZ 4.38Å; L933-F1049 HydrophobicContact CD1-CD2 4.17Å; L933-F1049 HydrophobicContact CD1-CE1 4.11Å; L933-F1049 HydrophobicContact CD1-CE2 3.7Å; L933-F1049 HydrophobicContact CD1-CZ 3.67Å; L933-F1049 HydrophobicContact CD2-CB 4.37Å; L933-F1049 HydrophobicContact CD2-CD1 3.7Å; L933-F1049 HydrophobicContact CD2-CD2 4.09Å; L933-F1049 HydrophobicContact CD2-CE1 3.91Å; L933-F1049 HydrophobicContact CD2-CE2 4.31Å; L933-F1049 HydrophobicContact CD2-CG 3.78Å; L933-F1049 HydrophobicContact CD2-CZ 4.24Å; L933-F1049 HydrophobicContact CG-CE1 4.27Å; L933-F1049 HydrophobicContact CG-CZ 4.32Å; V949-F1049 HydrophobicContact CG1-CE1 4.19Å; V949-F1049 HydrophobicContact CG1-CZ 3.88Å; L960-F1049 HydrophobicContact CD1-CE2 3.71Å; L960-F1049 HydrophobicContact CD1-CZ 4.22Å; L960-F1049 HydrophobicContact CD2-CE2 3.61Å; L960-F1049 HydrophobicContact CD2-CZ 3.81Å; L960-F1049 HydrophobicContact CG-CE2 4.32Å; I1045-F1049 HydrophobicContact CG2-CD2 4.16Å; I1045-F1049 PolarHBondContact O-N 3.06Å; F1049-S1051 PolarHBondContact O-N 2.94Å; F1049-S1052 WeakPolarHBondContact O-CB 3.44Å; F1049-S1052 PolarHBondContact O-N 3.25Å; F1049-V1053 PolarHBondContact O-N 2.95Å
1050	T	83.4	Confident	88.9	Confident	81 Å²	81	37.7 Å²	37.7	50%	0.497	20%	0.197	S	C	.	.	H	α-helix	trans	-62.2	-41.9	-177.8	51.2	0	0	0	0	112.6	S1052 V1053 D1054	T1050-S1052 VanDerWaalsContact C-N 3.31Å; T1050-S1052 PolarHBondContact O-N 3.37Å; T1050-V1053 WeakPolarHBondContact O-CB 3.38Å; T1050-V1053 PolarHBondContact O-N 3.1Å; T1050-V1053 VanDerWaalsContact O-N 3.12Å; T1050-D1054 PolarHBondContact O-N 2.81Å
1051	S	86.8	Confident	89	Confident	10 Å²	10	43 Å²	43	7%	0.07	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-38.3	177.9	-168.5	0	0	0	0	112.4	G940 F1049 V1053 D1054 I1055	G940-S1051 VanDerWaalsContact CA-OG 3.23Å; G940-S1051 WeakPolarHBondContact CA-OG 3.21Å; F1049-S1051 PolarHBondContact O-N 2.94Å; S1051-V1053 VanDerWaalsContact C-N 3.31Å; S1051-V1053 PolarHBondContact O-N 3.44Å; S1051-D1054 PolarHBondContact O-N 2.98Å; S1051-I1055 WeakPolarHBondContact O-CG1 3.36Å; S1051-I1055 PolarHBondContact O-N 3.07Å
1052	S	87.1	Confident	89.1	Confident	1 Å²	1	43 Å²	43	1%	0.007	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-40.5	174.7	-51.5	0	0	0	0	111.7	Y936 F1049 T1050 Q1056	Y936-S1052 WeakPolarHBondContact CB-OG 3.35Å; F1049-S1052 WeakPolarHBondContact O-CB 3.44Å; F1049-S1052 PolarHBondContact O-N 3.25Å; T1050-S1052 VanDerWaalsContact C-N 3.31Å; T1050-S1052 PolarHBondContact O-N 3.37Å; S1052-Q1056 WeakPolarHBondContact O-CB 3.31Å; S1052-Q1056 WeakPolarHBondContact O-CG 3.22Å; S1052-Q1056 PolarHBondContact O-N 3.24Å; S1052-Q1056 PolarHBondContact O-NE2 3.12Å; S1052-Q1056 VanDerWaalsContact O-NE2 3.16Å
1053	V	89	Confident	89.4	Confident	43 Å²	43	42.1 Å²	42.1	26%	0.261	22%	0.215	S	C	.	.	H	α-helix	trans	-66.3	-43.6	177.3	173.6	0	0	0	0	110.8	E1046 F1049 T1050 S1051 I1055 Q1056 N1057	E1046-V1053 HydrophobicContact CB-CG2 4.46Å; E1046-V1053 HydrophobicContact CG-CG2 4.2Å; F1049-V1053 PolarHBondContact O-N 2.95Å; T1050-V1053 WeakPolarHBondContact O-CB 3.38Å; T1050-V1053 PolarHBondContact O-N 3.1Å; T1050-V1053 VanDerWaalsContact O-N 3.12Å; S1051-V1053 VanDerWaalsContact C-N 3.31Å; S1051-V1053 PolarHBondContact O-N 3.44Å; V1053-I1055 PolarHBondContact O-N 2.62Å; V1053-Q1056 PolarHBondContact O-N 2.97Å; V1053-N1057 WeakPolarHBondContact CG1-ND2 3.13Å; V1053-N1057 WeakPolarHBondContact O-CB 3.46Å; V1053-N1057 VanDerWaalsContact O-CG 3.24Å; V1053-N1057 PolarHBondContact O-N 2.53Å; V1053-N1057 PolarHBondContact O-ND2 3.22Å
1054	D	91.8	Very high	89.7	Confident	87 Å²	87	45.3 Å²	45.3	47%	0.465	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-44.9	178.2	-73.3	-20.9	0	0	0	112.3	T1050 S1051 N1057 W1058	T1050-D1054 PolarHBondContact O-N 2.81Å; S1051-D1054 PolarHBondContact O-N 2.98Å; D1054-N1057 PolarHBondContact O-N 2.89Å; D1054-W1058 WeakPolarHBondContact O-CB 3.28Å; D1054-W1058 PolarHBondContact O-N 3.01Å
1055	I	94.5	Very high	90	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-46.8	176.3	-66	166.6	0	0	0	110.6	Y936 L939 S1051 V1053 N1057 W1058 L1059 L1203 P1244	Y936-I1055 HydrophobicContact CD1-CB 4.32Å; Y936-I1055 HydrophobicContact CD1-CD1 4.41Å; Y936-I1055 HydrophobicContact CD1-CG2 4.24Å; Y936-I1055 HydrophobicContact CE1-CB 4.31Å; Y936-I1055 HydrophobicContact CE1-CG2 3.99Å; L939-I1055 HydrophobicContact CB-CD1 3.98Å; S1051-I1055 WeakPolarHBondContact O-CG1 3.36Å; S1051-I1055 PolarHBondContact O-N 3.07Å; V1053-I1055 PolarHBondContact O-N 2.62Å; I1055-N1057 VanDerWaalsContact C-N 3.34Å; I1055-N1057 PolarHBondContact O-N 3.47Å; I1055-W1058 PolarHBondContact O-N 3.34Å; I1055-L1059 HydrophobicContact CG2-CD1 3.98Å; I1055-L1059 HydrophobicContact CG2-CG 4.32Å; I1055-L1059 WeakPolarHBondContact O-CG 3.37Å; I1055-L1059 PolarHBondContact O-N 3.25Å; I1055-L1203 HydrophobicContact CD1-CD1 4.34Å; I1055-L1203 HydrophobicContact CG1-CD1 4.24Å; I1055-L1203 HydrophobicContact CG2-CD2 4.41Å; I1055-P1244 HydrophobicContact CG1-CB 3.88Å; I1055-P1244 HydrophobicContact CG1-CG 4.06Å
1056	Q	92.3	Very high	90.4	Very high	35 Å²	35	46.6 Å²	46.6	16%	0.164	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-46	177.5	-77.5	175.4	69.4	0	0	111.9	Y936 S1052 V1053 W1058 L1059 C1060 P1143	Y936-Q1056 HydrophobicContact CE1-CG 3.8Å; Y936-Q1056 WeakPolarHBondContact OH-CG 3.42Å; S1052-Q1056 WeakPolarHBondContact O-CB 3.31Å; S1052-Q1056 WeakPolarHBondContact O-CG 3.22Å; S1052-Q1056 PolarHBondContact O-N 3.24Å; S1052-Q1056 PolarHBondContact O-NE2 3.12Å; S1052-Q1056 VanDerWaalsContact O-NE2 3.16Å; V1053-Q1056 PolarHBondContact O-N 2.97Å; Q1056-W1058 VanDerWaalsContact C-N 3.34Å; Q1056-W1058 PolarHBondContact O-N 3.46Å; Q1056-L1059 PolarHBondContact O-N 2.82Å; Q1056-C1060 WeakPolarHBondContact O-CB 3.31Å; Q1056-C1060 PolarHBondContact O-N 2.91Å; Q1056-C1060 PolarHBondContact O-SG 3.35Å; Q1056-P1143 HydrophobicContact CB-CB 4.33Å; Q1056-P1143 HydrophobicContact CB-CG 4.37Å; Q1056-P1143 HydrophobicContact CG-CB 3.85Å; Q1056-P1143 HydrophobicContact CG-CG 4.41Å
1057	N	92.5	Very high	90.8	Very high	80 Å²	80	41.8 Å²	41.8	43%	0.428	21%	0.206	S	C	.	.	H	α-helix	trans	-63.1	-40.5	178.3	-75.8	-30.4	0	0	0	112	V1053 D1054 I1055 C1060 K1061	V1053-N1057 WeakPolarHBondContact CG1-ND2 3.13Å; V1053-N1057 WeakPolarHBondContact O-CB 3.46Å; V1053-N1057 VanDerWaalsContact O-CG 3.24Å; V1053-N1057 PolarHBondContact O-N 2.53Å; V1053-N1057 PolarHBondContact O-ND2 3.22Å; D1054-N1057 PolarHBondContact O-N 2.89Å; I1055-N1057 VanDerWaalsContact C-N 3.34Å; I1055-N1057 PolarHBondContact O-N 3.47Å; N1057-C1060 PolarHBondContact O-N 2.83Å; N1057-K1061 VanDerWaalsContact O-CG 3.3Å; N1057-K1061 WeakPolarHBondContact O-CG 3.45Å; N1057-K1061 PolarHBondContact O-N 3.31Å
1058	W	96.2	Very high	91.1	Very high	14 Å²	14	35.7 Å²	35.7	5%	0.053	19%	0.189	C	C	.	.	H	α-helix	trans	-62.8	-49.1	175.9	179.7	79.9	0	0	0	111.8	D1054 I1055 Q1056 C1060 K1061 I1062 L1203 F1206 A1207 L1239 N1242 P1244	D1054-W1058 WeakPolarHBondContact O-CB 3.28Å; D1054-W1058 PolarHBondContact O-N 3.01Å; I1055-W1058 PolarHBondContact O-N 3.34Å; Q1056-W1058 VanDerWaalsContact C-N 3.34Å; Q1056-W1058 PolarHBondContact O-N 3.46Å; W1058-C1060 PolarHBondContact O-N 2.96Å; W1058-K1061 PolarHBondContact O-N 3.39Å; W1058-I1062 HydrophobicContact CD2-CD1 3.79Å; W1058-I1062 VanDerWaalsContact CE2-CD1 3.42Å; W1058-I1062 HydrophobicContact CE3-CD1 4.11Å; W1058-I1062 HydrophobicContact CG-CD1 4.48Å; W1058-I1062 HydrophobicContact CH2-CD1 3.79Å; W1058-I1062 HydrophobicContact CZ2-CD1 3.43Å; W1058-I1062 VanDerWaalsContact CZ2-CD1 3.43Å; W1058-I1062 HydrophobicContact CZ3-CD1 4.11Å; W1058-I1062 PolarHBondContact O-N 3.31Å; W1058-I1062 VanDerWaalsContact O-N 3.1Å; W1058-L1203 HydrophobicContact CH2-CB 4.5Å; W1058-L1203 HydrophobicContact CZ3-CB 4.43Å; W1058-L1203 HydrophobicContact CZ3-CD2 4.05Å; W1058-F1206 AromaticContact CH2-CD1 3.71Å; W1058-F1206 HydrophobicContact CH2-CD1 3.71Å; W1058-F1206 HydrophobicContact CH2-CE1 4.14Å; W1058-F1206 AromaticContact CZ3-CD1 3.77Å; W1058-F1206 HydrophobicContact CZ3-CD1 3.77Å; W1058-F1206 HydrophobicContact CZ3-CE1 4.07Å; W1058-A1207 HydrophobicContact CH2-CB 4.21Å; W1058-A1207 HydrophobicContact CZ2-CB 4.15Å; W1058-L1239 PolarHBondContact NE1-O 3.39Å; W1058-N1242 PolarHBondContact NE1-O 2.86Å; W1058-P1244 HydrophobicContact CB-CG 3.72Å; W1058-P1244 HydrophobicContact CD2-CG 3.88Å; W1058-P1244 HydrophobicContact CE3-CG 4.13Å; W1058-P1244 HydrophobicContact CG-CG 3.71Å
1059	L	96.3	Very high	91.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59	-46	175.5	-68	174.9	0	0	0	111.4	I1055 Q1056 K1061 I1062 A1063 F1142 P1143 F1146 F1206	I1055-L1059 HydrophobicContact CG2-CD1 3.98Å; I1055-L1059 HydrophobicContact CG2-CG 4.32Å; I1055-L1059 WeakPolarHBondContact O-CG 3.37Å; I1055-L1059 PolarHBondContact O-N 3.25Å; Q1056-L1059 PolarHBondContact O-N 2.82Å; L1059-K1061 PolarHBondContact O-N 2.87Å; L1059-I1062 PolarHBondContact O-N 3.34Å; L1059-A1063 WeakPolarHBondContact O-CB 3.29Å; L1059-A1063 PolarHBondContact O-N 3Å; L1059-F1142 HydrophobicContact CB-CD1 3.73Å; L1059-F1142 HydrophobicContact CB-CE1 3.76Å; L1059-F1142 HydrophobicContact CD2-CD1 4.3Å; L1059-F1142 HydrophobicContact CD2-CE1 3.47Å; L1059-F1142 VanDerWaalsContact CD2-CE1 3.47Å; L1059-F1142 HydrophobicContact CD2-CZ 3.76Å; L1059-F1142 HydrophobicContact CG-CE1 4.14Å; L1059-F1142 WeakPolarHBondContact O-CD1 3.32Å; L1059-P1143 HydrophobicContact CB-CG 4.09Å; L1059-P1143 HydrophobicContact CD1-CB 4.18Å; L1059-F1146 HydrophobicContact CD1-CB 4.3Å; L1059-F1146 HydrophobicContact CD1-CD1 4.08Å; L1059-F1146 HydrophobicContact CD1-CG 4.28Å; L1059-F1206 HydrophobicContact CD2-CD1 4.16Å; L1059-F1206 HydrophobicContact CD2-CE1 3.82Å
1060	C	94.9	Very high	91.2	Very high	31 Å²	31	39.6 Å²	39.6	21%	0.209	21%	0.208	C	C	.	.	H	α-helix	trans	-59.2	-43.8	176.9	-78.1	0	0	0	0	112.5	Q1056 N1057 W1058 I1062 A1063 K1064 T1139 P1143	Q1056-C1060 WeakPolarHBondContact O-CB 3.31Å; Q1056-C1060 PolarHBondContact O-N 2.91Å; Q1056-C1060 PolarHBondContact O-SG 3.35Å; N1057-C1060 PolarHBondContact O-N 2.83Å; W1058-C1060 PolarHBondContact O-N 2.96Å; C1060-I1062 PolarHBondContact O-N 3.45Å; C1060-A1063 PolarHBondContact O-N 2.88Å; C1060-K1064 WeakPolarHBondContact O-CB 3.45Å; C1060-K1064 PolarHBondContact O-N 3.42Å; C1060-T1139 HydrophobicContact CB-CG2 4.05Å; C1060-T1139 WeakPolarHBondContact O-CG2 3.37Å; C1060-P1143 VanDerWaalsContact SG-CG 3.57Å
1061	K	95.3	Very high	91.1	Very high	123 Å²	123	39.5 Å²	39.5	54%	0.535	20%	0.202	S	C	.	.	H	α-helix	trans	-61	-45.7	177	-74.1	171.2	-178	175.9	0	111	N1057 W1058 L1059 K1064 Y1065 L1239	N1057-K1061 VanDerWaalsContact O-CG 3.3Å; N1057-K1061 WeakPolarHBondContact O-CG 3.45Å; N1057-K1061 PolarHBondContact O-N 3.31Å; W1058-K1061 PolarHBondContact O-N 3.39Å; L1059-K1061 PolarHBondContact O-N 2.87Å; K1061-K1064 WeakPolarHBondContact O-CB 3.36Å; K1061-K1064 PolarHBondContact O-N 3.27Å; K1061-Y1065 VanDerWaalsContact O-CD2 3.25Å; K1061-Y1065 WeakPolarHBondContact O-CD2 3.31Å; K1061-Y1065 PolarHBondContact O-N 2.97Å; K1061-L1239 HydrophobicContact CB-CD1 4.35Å; K1061-L1239 HydrophobicContact CB-CD2 3.72Å; K1061-L1239 HydrophobicContact CD-CD1 4.3Å
1062	I	96.5	Very high	91	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-47.2	176.6	-68.7	173.3	0	0	0	111	W1058 L1059 C1060 K1064 Y1065 I1066 F1206 V1210 L1239 L1240	W1058-I1062 HydrophobicContact CD2-CD1 3.79Å; W1058-I1062 VanDerWaalsContact CE2-CD1 3.42Å; W1058-I1062 HydrophobicContact CE3-CD1 4.11Å; W1058-I1062 HydrophobicContact CG-CD1 4.48Å; W1058-I1062 HydrophobicContact CH2-CD1 3.79Å; W1058-I1062 HydrophobicContact CZ2-CD1 3.43Å; W1058-I1062 VanDerWaalsContact CZ2-CD1 3.43Å; W1058-I1062 HydrophobicContact CZ3-CD1 4.11Å; W1058-I1062 PolarHBondContact O-N 3.31Å; W1058-I1062 VanDerWaalsContact O-N 3.1Å; L1059-I1062 PolarHBondContact O-N 3.34Å; C1060-I1062 PolarHBondContact O-N 3.45Å; I1062-K1064 VanDerWaalsContact C-N 3.25Å; I1062-K1064 PolarHBondContact O-N 2.79Å; I1062-Y1065 PolarHBondContact O-N 3.49Å; I1062-Y1065 VanDerWaalsContact O-N 3.15Å; I1062-I1066 HydrophobicContact CG2-CD1 3.63Å; I1062-I1066 HydrophobicContact CG2-CG1 4.25Å; I1062-I1066 WeakPolarHBondContact O-CG1 3.31Å; I1062-I1066 PolarHBondContact O-N 3.1Å; I1062-F1206 HydrophobicContact CD1-CE1 3.99Å; I1062-F1206 HydrophobicContact CG2-CE1 4.28Å; I1062-F1206 HydrophobicContact CG2-CZ 4.1Å; I1062-V1210 HydrophobicContact CG2-CG1 4.16Å; I1062-V1210 HydrophobicContact CG2-CG2 4.38Å; I1062-L1239 HydrophobicContact CG1-CD2 3.69Å; I1062-L1239 HydrophobicContact CG1-CG 4.05Å; I1062-L1240 HydrophobicContact CD1-CD2 3.85Å; I1062-L1240 HydrophobicContact CG1-CD2 4.11Å
1063	A	95.5	Very high	91	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.4	-34.9	178.5	0	0	0	0	0	112.8	L1059 C1060 S1067 V1074 F1142	L1059-A1063 WeakPolarHBondContact O-CB 3.29Å; L1059-A1063 PolarHBondContact O-N 3Å; C1060-A1063 PolarHBondContact O-N 2.88Å; A1063-S1067 VanDerWaalsContact O-CB 3.28Å; A1063-S1067 WeakPolarHBondContact O-CB 3.35Å; A1063-S1067 PolarHBondContact O-N 3.42Å; A1063-S1067 PolarHBondContact O-OG 2.95Å; A1063-V1074 HydrophobicContact CB-CG2 3.73Å; A1063-F1142 HydrophobicContact CB-CB 3.99Å; A1063-F1142 HydrophobicContact CB-CD1 3.81Å; A1063-F1142 HydrophobicContact CB-CG 4.25Å
1064	K	94.8	Very high	91.1	Very high	139 Å²	139	41.3 Å²	41.3	60%	0.604	20%	0.204	S	C	*	.	H	α-helix	trans	-64.9	-43.8	175.1	-171.6	177.6	179.5	-179.6	0	111.8	C1060 K1061 I1062 G1068 T1139	C1060-K1064 WeakPolarHBondContact O-CB 3.45Å; C1060-K1064 PolarHBondContact O-N 3.42Å; K1061-K1064 WeakPolarHBondContact O-CB 3.36Å; K1061-K1064 PolarHBondContact O-N 3.27Å; I1062-K1064 VanDerWaalsContact C-N 3.25Å; I1062-K1064 PolarHBondContact O-N 2.79Å; K1064-G1068 WeakPolarHBondContact O-CA 3.49Å; K1064-G1068 PolarHBondContact O-N 3.43Å; K1064-T1139 HydrophobicContact CB-CG2 4.47Å
1065	Y	93.4	Very high	91.1	Very high	51 Å²	51	37.6 Å²	37.6	20%	0.2	19%	0.185	C	C	.	.	I	π-helix	trans	-61.9	-51.5	173.3	-80.4	-76.2	0	0	0	111.4	K1061 I1062 S1067 D1069 F1070 F1236 L1239	K1061-Y1065 VanDerWaalsContact O-CD2 3.25Å; K1061-Y1065 WeakPolarHBondContact O-CD2 3.31Å; K1061-Y1065 PolarHBondContact O-N 2.97Å; I1062-Y1065 PolarHBondContact O-N 3.49Å; I1062-Y1065 VanDerWaalsContact O-N 3.15Å; Y1065-S1067 PolarHBondContact O-N 3.05Å; Y1065-D1069 WeakPolarHBondContact CD1-OD2 3.46Å; Y1065-D1069 WeakPolarHBondContact O-CA 3.26Å; Y1065-D1069 WeakPolarHBondContact O-CB 3.32Å; Y1065-D1069 PolarHBondContact O-N 3Å; Y1065-F1070 WeakPolarHBondContact O-CD2 3.49Å; Y1065-F1070 PolarHBondContact O-N 2.85Å; Y1065-F1070 VanDerWaalsContact O-N 3.17Å; Y1065-F1236 VanDerWaalsContact CB-CD2 3.49Å; Y1065-F1236 HydrophobicContact CD1-CB 3.98Å; Y1065-F1236 AromaticContact CD1-CD2 3.88Å; Y1065-F1236 HydrophobicContact CD1-CD2 3.88Å; Y1065-F1236 HydrophobicContact CD1-CG 4.15Å; Y1065-F1236 AromaticContact CD2-CD2 3.6Å; Y1065-F1236 HydrophobicContact CD2-CD2 3.6Å; Y1065-F1236 HydrophobicContact CD2-CE2 4.28Å; Y1065-F1236 HydrophobicContact CE1-CB 3.97Å; Y1065-F1236 HydrophobicContact CE2-CD2 4.28Å; Y1065-F1236 HydrophobicContact CG-CB 4.32Å; Y1065-F1236 AromaticContact CG-CD2 3.38Å; Y1065-F1236 HydrophobicContact CG-CD2 3.38Å; Y1065-F1236 AromaticContact CG-CE2 3.98Å; Y1065-F1236 HydrophobicContact CG-CE2 3.98Å; Y1065-F1236 HydrophobicContact CG-CG 4.12Å; Y1065-L1239 HydrophobicContact CD2-CD2 3.95Å; Y1065-L1239 HydrophobicContact CE2-CD2 3.96Å
1066	I	91.9	Very high	91.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.185	C	C	.	.	I	π-helix	trans	-58.7	-47.2	-178.8	-65	172.3	0	0	0	111.6	I1062 F1070 Q1071 H1072 V1074 V1210 F1214	I1062-I1066 HydrophobicContact CG2-CD1 3.63Å; I1062-I1066 HydrophobicContact CG2-CG1 4.25Å; I1062-I1066 WeakPolarHBondContact O-CG1 3.31Å; I1062-I1066 PolarHBondContact O-N 3.1Å; I1066-F1070 CarbonylContact O-C 3.52Å; I1066-F1070 WeakPolarHBondContact O-CB 3.3Å; I1066-Q1071 PolarHBondContact O-N 2.83Å; I1066-H1072 HydrophobicContact CG2-CB 4.01Å; I1066-H1072 PolarHBondContact O-N 2.97Å; I1066-V1074 HydrophobicContact CB-CG2 4.35Å; I1066-V1074 HydrophobicContact CG2-CG2 4.23Å; I1066-V1210 HydrophobicContact CD1-CG1 4.14Å; I1066-V1210 HydrophobicContact CD1-CG2 4.28Å; I1066-F1214 HydrophobicContact CD1-CD2 4.25Å; I1066-F1214 HydrophobicContact CD1-CE2 4.18Å; I1066-F1214 HydrophobicContact CG1-CD2 4.15Å; I1066-F1214 HydrophobicContact CG1-CE2 4.25Å; I1066-F1214 HydrophobicContact CG2-CE1 4.46Å; I1066-F1214 HydrophobicContact CG2-CE2 4.15Å; I1066-F1214 HydrophobicContact CG2-CZ 3.99Å
1067	S	91.2	Very high	91.1	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.028	20%	0.197	C	C	.	.	I	π-helix	trans	-87.8	-30.4	-173	66.9	0	0	0	0	114.7	A1063 Y1065 H1072 P1133 S1135	A1063-S1067 VanDerWaalsContact O-CB 3.28Å; A1063-S1067 WeakPolarHBondContact O-CB 3.35Å; A1063-S1067 PolarHBondContact O-N 3.42Å; A1063-S1067 PolarHBondContact O-OG 2.95Å; Y1065-S1067 PolarHBondContact O-N 3.05Å; S1067-H1072 VanDerWaalsContact CA-O 3.28Å; S1067-H1072 WeakPolarHBondContact CA-O 3.32Å; S1067-P1133 WeakPolarHBondContact O-CG 3.5Å; S1067-S1135 WeakPolarHBondContact OG-CA 3.34Å; S1067-S1135 WeakPolarHBondContact OG-CB 3.45Å; S1067-S1135 PolarHBondContact OG-OG 2.82Å
1068	G	87	Confident	91.3	Very high	33 Å²	33	36.9 Å²	36.9	34%	0.34	18%	0.179	S	C	.	.	I	π-helix	trans	-85.6	-52.2	179.3	0	0	0	0	0	112.2	K1064	K1064-G1068 WeakPolarHBondContact O-CA 3.49Å; K1064-G1068 PolarHBondContact O-N 3.43Å
1069	D	83.5	Confident	91.2	Very high	69 Å²	69	37.2 Å²	37.2	37%	0.369	18%	0.183	S	C	.	.	I	π-helix	trans	-90.7	-42.9	-169.3	-59.9	-3.6	0	0	0	111.5	Y1065	Y1065-D1069 WeakPolarHBondContact CD1-OD2 3.46Å; Y1065-D1069 WeakPolarHBondContact O-CA 3.26Å; Y1065-D1069 WeakPolarHBondContact O-CB 3.32Å; Y1065-D1069 PolarHBondContact O-N 3Å
1070	F	81.8	Confident	91.1	Very high	31 Å²	31	37.2 Å²	37.2	14%	0.136	18%	0.183	C	C	.	.	S	Bend	trans	-88.1	-9.1	177	-62.4	-83.5	0	0	0	113.5	Y1065 I1066 H1072 F1214 Y1216 F1236	Y1065-F1070 WeakPolarHBondContact O-CD2 3.49Å; Y1065-F1070 PolarHBondContact O-N 2.85Å; Y1065-F1070 VanDerWaalsContact O-N 3.17Å; I1066-F1070 CarbonylContact O-C 3.52Å; I1066-F1070 WeakPolarHBondContact O-CB 3.3Å; F1070-H1072 PolarHBondContact O-CD2 3.45Å; F1070-H1072 PolarHBondContact O-N 3.5Å; F1070-H1072 VanDerWaalsContact O-N 3.15Å; F1070-F1214 HydrophobicContact CB-CD1 4.2Å; F1070-F1214 HydrophobicContact CB-CE1 4.43Å; F1070-F1214 HydrophobicContact CD1-CD1 4.11Å; F1070-F1214 HydrophobicContact CD2-CB 4.37Å; F1070-F1214 HydrophobicContact CD2-CD1 4.33Å; F1070-F1214 HydrophobicContact CE1-CB 4.28Å; F1070-F1214 WeakPolarHBondContact CE1-O 3.16Å; F1070-F1214 HydrophobicContact CE2-CB 4.04Å; F1070-F1214 AromaticContact CG-CD1 3.97Å; F1070-F1214 HydrophobicContact CG-CD1 3.97Å; F1070-F1214 HydrophobicContact CZ-CB 3.98Å; F1070-F1214 WeakPolarHBondContact CZ-O 3.44Å; F1070-Y1216 AromaticContact CE1-CE1 3.98Å; F1070-Y1216 HydrophobicContact CE1-CE1 3.98Å; F1070-Y1216 HydrophobicContact CE1-CE2 4.22Å; F1070-Y1216 AromaticContact CE1-CZ 3.62Å; F1070-Y1216 WeakPolarHBondContact CE1-OH 3.33Å; F1070-Y1216 HydrophobicContact CE2-CE2 4.27Å; F1070-Y1216 HydrophobicContact CZ-CD2 4.33Å; F1070-Y1216 HydrophobicContact CZ-CE1 4.08Å; F1070-Y1216 AromaticContact CZ-CE2 3.48Å; F1070-Y1216 HydrophobicContact CZ-CE2 3.48Å; F1070-Y1216 VanDerWaalsContact CZ-CE2 3.48Å; F1070-Y1216 AromaticContact CZ-CZ 3.33Å; F1070-Y1216 WeakPolarHBondContact CZ-OH 3.18Å; F1070-F1236 HydrophobicContact CE2-CD1 4.04Å; F1070-F1236 AromaticContact CE2-CE1 3.66Å; F1070-F1236 HydrophobicContact CE2-CE1 3.66Å; F1070-F1236 AromaticContact CE2-CZ 3.95Å; F1070-F1236 HydrophobicContact CE2-CZ 3.95Å; F1070-F1236 HydrophobicContact CZ-CD1 4.14Å; F1070-F1236 AromaticContact CZ-CE1 3.88Å; F1070-F1236 HydrophobicContact CZ-CE1 3.88Å
1071	Q	81.2	Confident	91	Very high	79 Å²	79	35.8 Å²	35.8	37%	0.369	17%	0.173	S	C	.	.			trans	51.4	34.5	-175.5	-59.6	-167.5	-13.6	0	0	114	P121 I1066 L1132 P1133	P121-Q1071 PolarHBondContact O-OE1 2.91Å; I1066-Q1071 PolarHBondContact O-N 2.83Å; Q1071-L1132 HydrophobicContact CB-CD2 4.12Å; Q1071-P1133 VanDerWaalsContact C-CG 3.42Å; Q1071-P1133 WeakPolarHBondContact O-CD 3.39Å; Q1071-P1133 WeakPolarHBondContact O-CG 3.5Å
1072	H	83.6	Confident	90.9	Very high	43 Å²	43	30 Å²	30	20%	0.199	15%	0.149	C	C	.	.			trans	-107.5	153	176.4	-81.2	-71.7	0	0	0	112.5	H76 I1066 S1067 F1070 F1214	H76-H1072 WeakPolarHBondContact CB-CE1 3.33Å; H76-H1072 WeakPolarHBondContact CB-NE2 3.33Å; H76-H1072 AromaticContact CD2-NE2 3.94Å; H76-H1072 AromaticContact CG-CE1 3.9Å; H76-H1072 AromaticContact CG-NE2 3.5Å; H76-H1072 AromaticContact ND1-NE2 3.93Å; I1066-H1072 HydrophobicContact CG2-CB 4.01Å; I1066-H1072 PolarHBondContact O-N 2.97Å; S1067-H1072 VanDerWaalsContact CA-O 3.28Å; S1067-H1072 WeakPolarHBondContact CA-O 3.32Å; F1070-H1072 PolarHBondContact O-CD2 3.45Å; F1070-H1072 PolarHBondContact O-N 3.5Å; F1070-H1072 VanDerWaalsContact O-N 3.15Å; H1072-F1214 HydrophobicContact CB-CE1 3.82Å; H1072-F1214 HydrophobicContact CB-CZ 3.97Å; H1072-F1214 AromaticContact CD2-CE1 3.8Å; H1072-F1214 AromaticContact CG-CE1 3.85Å
1073	R	86.9	Confident	90.8	Very high	48 Å²	48	31.4 Å²	31.4	18%	0.181	16%	0.157	C	C	.	.			trans	-71.2	142.1	167.5	-62.3	-175.2	-62.1	-176.6	-16.2	108.5	D690 S1075 I1085 Q1086 P1133	D690-R1073 IonicContact OD1-NH2 3.88Å; D690-R1073 IonicContact OD2-CZ 2.81Å; D690-R1073 IonicContact OD2-NH1 2.65Å; D690-R1073 IonicContact OD2-NH2 3.59Å; D690-R1073 PolarHBondContact OD2-NH2 3.29Å; R1073-S1075 PolarHBondContact O-N 3.23Å; R1073-I1085 HydrophobicContact CB-CG2 4.29Å; R1073-Q1086 WeakPolarHBondContact CD-O 3.26Å; R1073-P1133 HydrophobicContact CG-CB 4.28Å
1074	V	91.7	Very high	90.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.			trans	-69.2	130	173.9	-177	0	0	0	0	108.4	A1063 I1066 W1076 Q1086 Q1138 F1142	A1063-V1074 HydrophobicContact CB-CG2 3.73Å; I1066-V1074 HydrophobicContact CB-CG2 4.35Å; I1066-V1074 HydrophobicContact CG2-CG2 4.23Å; V1074-W1076 HydrophobicContact CG1-CE3 4.41Å; V1074-Q1086 HydrophobicContact CB-CG 4.29Å; V1074-Q1086 PolarHBondContact O-N 3.33Å; V1074-Q1138 HydrophobicContact CG2-CB 4.33Å; V1074-F1142 HydrophobicContact CG1-CD1 4.07Å; V1074-F1142 HydrophobicContact CG1-CD2 3.59Å; V1074-F1142 HydrophobicContact CG1-CE1 4.09Å; V1074-F1142 HydrophobicContact CG1-CE2 3.65Å; V1074-F1142 HydrophobicContact CG1-CG 3.83Å; V1074-F1142 HydrophobicContact CG1-CZ 3.91Å
1075	S	92.1	Very high	90.4	Very high	9 Å²	9	26.7 Å²	26.7	6%	0.063	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	155.6	175.4	59.8	0	0	0	0	110.4	R1073 V1084 Y1209	R1073-S1075 PolarHBondContact O-N 3.23Å; S1075-V1084 CarbonylContact C-O 3.53Å; S1075-V1084 WeakPolarHBondContact CA-O 3.46Å; S1075-V1084 VanDerWaalsContact CB-O 3.23Å; S1075-V1084 WeakPolarHBondContact CB-O 3.28Å; S1075-Y1209 WeakPolarHBondContact O-CE1 3.46Å; S1075-Y1209 PolarHBondContact OG-OH 3.44Å
1076	W	94.5	Very high	90.2	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.015	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	174.3	173.5	65.9	102	0	0	0	109.3	V1074 V1084 Q1086 F1142 N1145 F1146 S1149 F1206	V1074-W1076 HydrophobicContact CG1-CE3 4.41Å; W1076-V1084 HydrophobicContact CD2-CB 3.89Å; W1076-V1084 HydrophobicContact CD2-CG1 4.09Å; W1076-V1084 HydrophobicContact CE3-CB 4.25Å; W1076-V1084 HydrophobicContact CE3-CG1 4.1Å; W1076-V1084 HydrophobicContact CG-CB 4.46Å; W1076-V1084 HydrophobicContact CH2-CB 4.14Å; W1076-V1084 HydrophobicContact CH2-CG1 3.26Å; W1076-V1084 HydrophobicContact CZ2-CB 3.76Å; W1076-V1084 HydrophobicContact CZ2-CG1 3.23Å; W1076-V1084 HydrophobicContact CZ2-CG2 4.24Å; W1076-V1084 HydrophobicContact CZ3-CB 4.37Å; W1076-V1084 HydrophobicContact CZ3-CG1 3.71Å; W1076-V1084 PolarHBondContact N-O 2.66Å; W1076-V1084 PolarHBondContact O-N 3.36Å; W1076-Q1086 HydrophobicContact CH2-CG 4.43Å; W1076-Q1086 HydrophobicContact CZ3-CG 3.94Å; W1076-F1142 HydrophobicContact CD2-CE2 4.08Å; W1076-F1142 HydrophobicContact CE3-CD2 4.09Å; W1076-F1142 AromaticContact CE3-CE2 3.49Å; W1076-F1142 HydrophobicContact CE3-CE2 3.49Å; W1076-F1142 VanDerWaalsContact CE3-CE2 3.49Å; W1076-F1142 HydrophobicContact CE3-CZ 4.49Å; W1076-F1142 HydrophobicContact CH2-CD2 4.19Å; W1076-F1142 HydrophobicContact CH2-CE2 4.17Å; W1076-F1142 AromaticContact CZ3-CD2 3.68Å; W1076-F1142 HydrophobicContact CZ3-CD2 3.68Å; W1076-F1142 AromaticContact CZ3-CE2 3.56Å; W1076-F1142 HydrophobicContact CZ3-CE2 3.56Å; W1076-N1145 HydrophobicContact CH2-CB 3.78Å; W1076-N1145 HydrophobicContact CZ2-CB 4.46Å; W1076-N1145 WeakPolarHBondContact CZ2-O 3.32Å; W1076-F1146 AromaticContact CD1-CD2 3.87Å; W1076-F1146 AromaticContact CD1-CE2 3.8Å; W1076-F1146 HydrophobicContact CD2-CD2 4.03Å; W1076-F1146 AromaticContact CE2-CD2 3.82Å; W1076-F1146 HydrophobicContact CG-CD2 4.06Å; W1076-F1146 HydrophobicContact CG-CE2 4.12Å; W1076-F1146 HydrophobicContact CZ2-CB 4.4Å; W1076-F1146 HydrophobicContact CZ2-CD2 4.36Å; W1076-F1146 AromaticContact NE1-CD2 3.72Å; W1076-S1149 PolarHBondContact NE1-OG 2.92Å; W1076-F1206 HydrophobicContact CB-CD2 3.7Å; W1076-F1206 HydrophobicContact CB-CE2 3.88Å
1077	Q	93	Very high	89.9	Confident	89 Å²	89	27.1 Å²	27.1	42%	0.416	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135	171.9	-168.8	172	5.2	0	0	108.7	G1081 L1082	Q1077-G1081 WeakPolarHBondContact CG-O 3.15Å; Q1077-G1081 PolarHBondContact NE2-O 2.95Å; Q1077-L1082 WeakPolarHBondContact CA-O 3.32Å
1078	T	95.4	Very high	89.6	Confident	8 Å²	8	29.9 Å²	29.9	5%	0.049	16%	0.158	C	C	.	.			trans	-74.6	162.2	174.8	74.7	0	0	0	0	110.9	L1080 G1081 L1082 V1084 C1153	T1078-L1080 PolarHBondContact O-N 3.32Å; T1078-L1080 PolarHBondContact OG1-N 3.33Å; T1078-G1081 WeakPolarHBondContact O-CA 3.45Å; T1078-G1081 PolarHBondContact O-N 3.28Å; T1078-L1082 HydrophobicContact CG2-CB 4.02Å; T1078-L1082 PolarHBondContact N-O 2.92Å; T1078-L1082 WeakPolarHBondContact OG1-CB 3.45Å; T1078-L1082 PolarHBondContact OG1-N 3.33Å; T1078-V1084 HydrophobicContact CG2-CG2 3.77Å; T1078-C1153 WeakPolarHBondContact CB-SG 3.46Å; T1078-C1153 PolarHBondContact OG1-SG 3.42Å
1079	P	95.6	Very high	89.3	Confident	21 Å²	21	30.1 Å²	30.1	14%	0.136	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-14.2	175.6	-26.5	37.6	0	0	0	115	H341 A343 L1150 L1197 I1202	H341-P1079 VanDerWaalsContact CB-O 3.28Å; H341-P1079 WeakPolarHBondContact CB-O 3.42Å; A343-P1079 HydrophobicContact CB-CB 3.61Å; P1079-L1150 HydrophobicContact CG-CD2 4.1Å; P1079-L1197 HydrophobicContact CB-CD1 3.8Å; P1079-L1197 HydrophobicContact CG-CD1 3.73Å; P1079-I1202 HydrophobicContact CG-CD1 4.29Å; P1079-I1202 HydrophobicContact CG-CG1 3.96Å
1080	L	93.3	Very high	88.7	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	10.3	172.6	-155.3	68.1	0	0	0	112.6	H341 Q344 V702 T1078 M1156 L1157	H341-L1080 VanDerWaalsContact CD2-C 3.49Å; H341-L1080 PolarHBondContact CD2-O 3.38Å; H341-L1080 VanDerWaalsContact CD2-O 3.26Å; Q344-L1080 HydrophobicContact CB-CD1 4.04Å; Q344-L1080 VanDerWaalsContact OE1-CD1 3.3Å; V702-L1080 HydrophobicContact CG2-CB 4.41Å; V702-L1080 HydrophobicContact CG2-CD2 3.91Å; V702-L1080 HydrophobicContact CG2-CG 4.13Å; T1078-L1080 PolarHBondContact O-N 3.32Å; T1078-L1080 PolarHBondContact OG1-N 3.33Å; L1080-M1156 HydrophobicContact CD2-CB 3.72Å; L1080-M1156 HydrophobicContact CD2-CG 4.42Å; L1080-M1156 HydrophobicContact CD2-SD 3.89Å; L1080-L1157 HydrophobicContact CD1-CD2 3.84Å; L1080-L1157 HydrophobicContact CD1-CG 4.36Å
1081	G	92.4	Very high	87.8	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	88.5	-3.4	174.8	0	0	0	0	0	116.1	H341 I699 Q1077 T1078 P1083	H341-G1081 VanDerWaalsContact CE1-CA 3.44Å; H341-G1081 WeakPolarHBondContact CE1-CA 3.37Å; H341-G1081 WeakPolarHBondContact NE2-CA 3.37Å; I699-G1081 WeakPolarHBondContact CG2-O 3.41Å; Q1077-G1081 WeakPolarHBondContact CG-O 3.15Å; Q1077-G1081 PolarHBondContact NE2-O 2.95Å; T1078-G1081 WeakPolarHBondContact O-CA 3.45Å; T1078-G1081 PolarHBondContact O-N 3.28Å; G1081-P1083 WeakPolarHBondContact O-CD 3.3Å
1082	L	94.4	Very high	86.3	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.016	17%	0.169	C	C	.	.			trans	-68.2	119.8	-176.3	-179.9	62.1	0	0	0	111.1	F694 I699 V702 M804 Q1077 T1078 V1084	F694-L1082 HydrophobicContact CZ-CD1 4.34Å; I699-L1082 HydrophobicContact CD1-CD1 4.46Å; I699-L1082 HydrophobicContact CG2-CD1 4.47Å; V702-L1082 HydrophobicContact CG1-CD1 4.49Å; V702-L1082 HydrophobicContact CG2-CB 4.16Å; M804-L1082 HydrophobicContact CE-CD1 3.56Å; M804-L1082 HydrophobicContact CE-CD2 4.02Å; M804-L1082 HydrophobicContact CE-CG 4.46Å; M804-L1082 HydrophobicContact SD-CD2 4.18Å; Q1077-L1082 WeakPolarHBondContact CA-O 3.32Å; T1078-L1082 HydrophobicContact CG2-CB 4.02Å; T1078-L1082 PolarHBondContact N-O 2.92Å; T1078-L1082 WeakPolarHBondContact OG1-CB 3.45Å; T1078-L1082 PolarHBondContact OG1-N 3.33Å; L1082-V1084 HydrophobicContact CD2-CG2 4.43Å; L1082-V1084 HydrophobicContact CG-CG2 4.33Å; L1082-V1084 PolarHBondContact O-N 3.49Å
1083	P	92.6	Very high	84.5	Confident	28 Å²	28	34.7 Å²	34.7	18%	0.182	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	121.2	171.3	-18.2	35	0	0	0	110.2	F694 G1081	F694-P1083 HydrophobicContact CB-CB 4.42Å; F694-P1083 HydrophobicContact CB-CG 3.92Å; F694-P1083 HydrophobicContact CD1-CB 4.17Å; F694-P1083 HydrophobicContact CD1-CG 4.11Å; F694-P1083 HydrophobicContact CD2-CG 3.88Å; F694-P1083 HydrophobicContact CE2-CG 4.41Å; F694-P1083 HydrophobicContact CG-CB 4.24Å; F694-P1083 HydrophobicContact CG-CG 3.72Å; G1081-P1083 WeakPolarHBondContact O-CD 3.3Å
1084	V	92.8	Very high	81.8	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.9	178	177.8	0	0	0	0	109.5	F806 S1075 W1076 T1078 L1082	F806-V1084 HydrophobicContact CD2-CG1 4.16Å; F806-V1084 VanDerWaalsContact O-CG1 3.3Å; F806-V1084 WeakPolarHBondContact O-CG1 3.4Å; S1075-V1084 CarbonylContact C-O 3.53Å; S1075-V1084 WeakPolarHBondContact CA-O 3.46Å; S1075-V1084 VanDerWaalsContact CB-O 3.23Å; S1075-V1084 WeakPolarHBondContact CB-O 3.28Å; W1076-V1084 HydrophobicContact CD2-CB 3.89Å; W1076-V1084 HydrophobicContact CD2-CG1 4.09Å; W1076-V1084 HydrophobicContact CE3-CB 4.25Å; W1076-V1084 HydrophobicContact CE3-CG1 4.1Å; W1076-V1084 HydrophobicContact CG-CB 4.46Å; W1076-V1084 HydrophobicContact CH2-CB 4.14Å; W1076-V1084 HydrophobicContact CH2-CG1 3.26Å; W1076-V1084 HydrophobicContact CZ2-CB 3.76Å; W1076-V1084 HydrophobicContact CZ2-CG1 3.23Å; W1076-V1084 HydrophobicContact CZ2-CG2 4.24Å; W1076-V1084 HydrophobicContact CZ3-CB 4.37Å; W1076-V1084 HydrophobicContact CZ3-CG1 3.71Å; W1076-V1084 PolarHBondContact N-O 2.66Å; W1076-V1084 PolarHBondContact O-N 3.36Å; T1078-V1084 HydrophobicContact CG2-CG2 3.77Å; L1082-V1084 HydrophobicContact CD2-CG2 4.43Å; L1082-V1084 HydrophobicContact CG-CG2 4.33Å; L1082-V1084 PolarHBondContact O-N 3.49Å
1085	I	89.4	Confident	78.8	Confident	40 Å²	40	42.9 Å²	42.9	21%	0.205	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123.3	178.7	-55.6	174.9	0	0	0	109.1	F806 R1073	F806-I1085 VanDerWaalsContact CD2-O 3.27Å; F806-I1085 WeakPolarHBondContact CD2-O 3.44Å; R1073-I1085 HydrophobicContact CB-CG2 4.29Å
1086	Q	89.9	Confident	75.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.274	C	S	.	.			trans	-69.1	129.3	178.7	-68.7	-155.1	101.1	0	0	111.9	R1073 V1074 W1076 Y1088 Q1138 A1141 N1145	R1073-Q1086 WeakPolarHBondContact CD-O 3.26Å; V1074-Q1086 HydrophobicContact CB-CG 4.29Å; V1074-Q1086 PolarHBondContact O-N 3.33Å; W1076-Q1086 HydrophobicContact CH2-CG 4.43Å; W1076-Q1086 HydrophobicContact CZ3-CG 3.94Å; Q1086-Y1088 VanDerWaalsContact C-N 3.27Å; Q1086-Y1088 HydrophobicContact CB-CD2 3.93Å; Q1086-Y1088 HydrophobicContact CB-CE2 4.18Å; Q1086-Y1088 HydrophobicContact CG-CE2 4.44Å; Q1086-Y1088 PolarHBondContact O-N 3.04Å; Q1086-Q1138 VanDerWaalsContact CB-OE1 3.26Å; Q1086-Q1138 PolarHBondContact NE2-O 3.05Å; Q1086-Q1138 PolarHBondContact O-NE2 3.47Å; Q1086-A1141 PolarHBondContact OE1-O 2.9Å; Q1086-N1145 PolarHBondContact OE1-ND2 2.84Å
1087	P	84.8	Confident	72.7	Confident	60 Å²	60	53.5 Å²	53.5	39%	0.39	30%	0.302	S	S	.	.			trans	-80.5	3	-172.6	33.2	-38	0	0	0	114.6	F806 I1089	F806-P1087 HydrophobicContact CD1-CG 3.93Å; F806-P1087 HydrophobicContact CE1-CG 3.64Å; F806-P1087 HydrophobicContact CE2-CG 4.3Å; F806-P1087 HydrophobicContact CG-CG 4.4Å; F806-P1087 HydrophobicContact CZ-CG 3.84Å; P1087-I1089 PolarHBondContact O-N 3.34Å; P1087-I1089 VanDerWaalsContact O-N 3.09Å
1088	Y	86.5	Confident	69.6	Low	61 Å²	61	54 Å²	54	24%	0.239	32%	0.315	C	S	.	.			trans	-79.1	98.6	-170.1	-47.5	-67	0	0	0	113.1	Q1086 K1134 K1137 Q1138 A1141 N1145	Q1086-Y1088 VanDerWaalsContact C-N 3.27Å; Q1086-Y1088 HydrophobicContact CB-CD2 3.93Å; Q1086-Y1088 HydrophobicContact CB-CE2 4.18Å; Q1086-Y1088 HydrophobicContact CG-CE2 4.44Å; Q1086-Y1088 PolarHBondContact O-N 3.04Å; Y1088-K1134 PolarHBondContact O-N 3.35Å; Y1088-K1137 HydrophobicContact CD1-CB 4.3Å; Y1088-K1137 HydrophobicContact CD1-CD 4.26Å; Y1088-K1137 HydrophobicContact CD2-CB 4.49Å; Y1088-K1137 HydrophobicContact CG-CB 3.93Å; Y1088-Q1138 PolarHBondContact O-NE2 3.3Å; Y1088-A1141 HydrophobicContact CD2-CB 3.96Å; Y1088-A1141 HydrophobicContact CE2-CB 3.2Å; Y1088-N1145 WeakPolarHBondContact CE2-ND2 3.4Å; Y1088-N1145 PolarHBondContact OH-ND2 3.11Å; Y1088-N1145 VanDerWaalsContact OH-ND2 3.16Å
1089	I	79.2	Confident	66.4	Low	39 Å²	39	60 Å²	60	20%	0.2	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-110.4	156	178.7	56.1	172.2	0	0	0	111.6	P1087 S1091 L1132	P1087-I1089 PolarHBondContact O-N 3.34Å; P1087-I1089 VanDerWaalsContact O-N 3.09Å; I1089-S1091 PolarHBondContact O-N 2.92Å; I1089-L1132 CarbonylContact C-O 3.52Å; I1089-L1132 WeakPolarHBondContact CA-O 3.42Å
1090	Q	72.3	Confident	63.2	Low	96 Å²	96	62.6 Å²	62.6	45%	0.449	36%	0.36	S	S	.	.			trans	-67.8	127.8	172.4	-172.5	65.2	13.2	0	0	109.2	L1132	Q1090-L1132 PolarHBondContact N-O 3.23Å
1091	S	62.2	Low	60.3	Low	39 Å²	39	68.7 Å²	68.7	27%	0.273	38%	0.384	S	S	.	.			trans	-77	139.7	171.2	56.6	0	0	0	0	110	I1089 K1093	I1089-S1091 PolarHBondContact O-N 2.92Å; S1091-K1093 PolarHBondContact O-N 2.98Å
1092	N	50.2	Low	57.3	Low	98 Å²	98	71.3 Å²	71.3	52%	0.524	40%	0.4	S	S	.	.			trans	-66.6	24.9	170.8	-78.4	-15.8	0	0	0	114	S1094	N1092-S1094 PolarHBondContact O-N 3.45Å
1093	K	44.6	Very low	54.3	Low	85 Å²	85	73.7 Å²	73.7	37%	0.37	41%	0.414	S	S	.	.			trans	-66.6	122.5	172.5	-67.7	-173	-177.2	-170.8	0	108	S1091	S1091-K1093 PolarHBondContact O-N 2.98Å
1094	S	30.6	Very low	51.3	Low	87 Å²	87	75.5 Å²	75.5	61%	0.608	42%	0.423	S	S	*	.			trans	-50.6	141.2	163.3	47.6	0	0	0	0	109.1	N1092 T1096	N1092-S1094 PolarHBondContact O-N 3.45Å; S1094-T1096 PolarHBondContact O-N 2.65Å
1095	S	30	Very low	48.3	Very low	133 Å²	133	80.8 Å²	80.8	93%	0.93	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	17.3	-164.7	-33.2	0	0	0	0	117.4
1096	T	28	Very low	45.5	Very low	121 Å²	121	84.6 Å²	84.6	74%	0.742	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-4.9	-175.1	13.7	0	0	0	0	115.7	S1094	S1094-T1096 PolarHBondContact O-N 2.65Å
1097	D	29.9	Very low	42.8	Very low	115 Å²	115	85.8 Å²	85.8	62%	0.615	47%	0.467	S	S	*	.	S	Bend	trans	-116.2	113.6	178.1	-73.1	-28.2	0	0	0	113
1098	S	28.4	Very low	40.3	Very low	98 Å²	98	85.9 Å²	85.9	69%	0.685	46%	0.462	S	S	*	.			trans	-50.1	150.8	-174.6	52.6	0	0	0	0	116.2	D1100	S1098-D1100 PolarHBondContact O-N 3.49Å
1099	D	27.6	Very low	37.7	Very low	135 Å²	135	84.4 Å²	84.4	72%	0.722	46%	0.458	S	S	*	.			trans	-54.6	88.2	172	-79.1	-44.2	0	0	0	113.4	K1134	D1099-K1134 IonicContact OD1-NZ 3.73Å; D1099-K1134 PolarHBondContact OD1-NZ 3.03Å
1100	D	29.1	Very low	35.6	Very low	75 Å²	75	85.5 Å²	85.5	40%	0.401	46%	0.464	S	S	.	.			trans	-139.5	120.4	159	-156.5	-6.7	0	0	0	110.8	S9 S1098 T1102	S9-D1100 PolarHBondContact OG-OD2 2.93Å; S1098-D1100 PolarHBondContact O-N 3.49Å; D1100-T1102 PolarHBondContact OD1-N 2.61Å; D1100-T1102 PolarHBondContact OD1-OG1 3.3Å; D1100-T1102 PolarHBondContact OD2-OG1 3.2Å; D1100-T1102 VanDerWaalsContact OD2-OG1 3.13Å
1101	Y	32.5	Very low	33.8	Very low	129 Å²	129	84.2 Å²	84.2	51%	0.506	46%	0.46	S	S	.	.			trans	-117	23.3	176.7	-109.8	-88.8	0	0	0	110.5	V1103	Y1101-V1103 PolarHBondContact O-N 3.23Å
1102	T	28.9	Very low	32.7	Very low	54 Å²	54	85.8 Å²	85.8	33%	0.331	47%	0.465	S	S	.	.			trans	-72.9	86.4	166.2	46.5	0	0	0	0	110.6	D1100	D1100-T1102 PolarHBondContact OD1-N 2.61Å; D1100-T1102 PolarHBondContact OD1-OG1 3.3Å; D1100-T1102 PolarHBondContact OD2-OG1 3.2Å; D1100-T1102 VanDerWaalsContact OD2-OG1 3.13Å
1103	V	30.6	Very low	32.1	Very low	53 Å²	53	81.4 Å²	81.4	32%	0.321	44%	0.442	S	S	.	.			trans	41.6	91.9	137.8	-167.7	0	0	0	0	115.6	H4 Y1101	H4-V1103 WeakPolarHBondContact CD2-CG1 3.32Å; H4-V1103 WeakPolarHBondContact NE2-CG1 3.45Å; Y1101-V1103 PolarHBondContact O-N 3.23Å
1104	N	29	Very low	31.9	Very low	67 Å²	67	78.6 Å²	78.6	36%	0.358	43%	0.43	S	S	.	.			trans	-124.8	99.3	157.7	-129.1	-19.3	0	0	0	105	Y1106 S1107 Q1108	N1104-Y1106 VanDerWaalsContact C-N 3.28Å; N1104-S1107 WeakPolarHBondContact ND2-CB 3.44Å; N1104-Q1108 WeakPolarHBondContact O-CA 3.48Å; N1104-Q1108 WeakPolarHBondContact O-CB 3.33Å; N1104-Q1108 WeakPolarHBondContact O-CG 3.43Å; N1104-Q1108 PolarHBondContact O-N 3.01Å
1105	F	30.2	Very low	32.7	Very low	112 Å²	112	78.4 Å²	78.4	49%	0.491	42%	0.418	S	S	.	.	H	α-helix	trans	-63.6	-41.2	176.6	-179.3	-104.8	0	0	0	109.9	L1109	F1105-L1109 HydrophobicContact CD1-CD1 3.93Å; F1105-L1109 HydrophobicContact CE1-CD1 3.63Å; F1105-L1109 HydrophobicContact CZ-CD1 4.03Å; F1105-L1109 WeakPolarHBondContact O-CB 3.48Å; F1105-L1109 WeakPolarHBondContact O-CG 3.43Å; F1105-L1109 PolarHBondContact O-N 3.14Å
1106	Y	31.1	Very low	33.3	Very low	119 Å²	119	73.4 Å²	73.4	47%	0.467	38%	0.38	S	S	.	.	H	α-helix	trans	-79.5	-33	176.2	-73.6	-86.2	0	0	0	113.6	A474 N1104 L1109 I1110	A474-Y1106 HydrophobicContact CB-CD1 4.35Å; A474-Y1106 HydrophobicContact CB-CE1 4.21Å; N1104-Y1106 VanDerWaalsContact C-N 3.28Å; Y1106-L1109 HydrophobicContact CD1-CD1 4.44Å; Y1106-L1109 CarbonylContact O-C 3.6Å; Y1106-L1109 PolarHBondContact O-N 3.32Å; Y1106-I1110 WeakPolarHBondContact O-CA 3.44Å; Y1106-I1110 WeakPolarHBondContact O-CB 3.24Å; Y1106-I1110 VanDerWaalsContact O-CD1 3.3Å; Y1106-I1110 WeakPolarHBondContact O-CD1 3.42Å; Y1106-I1110 WeakPolarHBondContact O-CG1 3.46Å; Y1106-I1110 PolarHBondContact O-N 2.97Å
1107	S	33.1	Very low	34.1	Very low	25 Å²	25	67.9 Å²	67.9	18%	0.175	35%	0.346	C	S	.	.	H	α-helix	trans	-82.2	-14.5	169.6	-142.5	0	0	0	0	113.5	N1104 D1111	N1104-S1107 WeakPolarHBondContact ND2-CB 3.44Å; S1107-D1111 VanDerWaalsContact O-CA 3.26Å; S1107-D1111 WeakPolarHBondContact O-CA 3.42Å; S1107-D1111 WeakPolarHBondContact O-CB 3.19Å; S1107-D1111 PolarHBondContact O-N 3.18Å; S1107-D1111 VanDerWaalsContact O-OD1 3.06Å; S1107-D1111 PolarHBondContact OG-OD1 3.32Å
1108	Q	31.7	Very low	34.8	Very low	62 Å²	62	64.8 Å²	64.8	29%	0.29	33%	0.33	S	S	.	.	H	α-helix	trans	-79.4	-35.6	164.7	-75.9	175.7	6	0	0	109.6	N1104 N1112	N1104-Q1108 WeakPolarHBondContact O-CA 3.48Å; N1104-Q1108 WeakPolarHBondContact O-CB 3.33Å; N1104-Q1108 WeakPolarHBondContact O-CG 3.43Å; N1104-Q1108 PolarHBondContact O-N 3.01Å; Q1108-N1112 WeakPolarHBondContact O-CA 3.34Å; Q1108-N1112 WeakPolarHBondContact O-CB 3.41Å; Q1108-N1112 PolarHBondContact O-N 2.87Å; Q1108-N1112 PolarHBondContact O-ND2 2.88Å; Q1108-N1112 VanDerWaalsContact O-ND2 3.13Å
1109	L	32.1	Very low	35.6	Very low	31 Å²	31	63.7 Å²	63.7	16%	0.162	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-48.1	167.1	-76.1	170.5	0	0	0	110.4	V681 F1105 Y1106 N1113	V681-L1109 HydrophobicContact CB-CD2 3.85Å; V681-L1109 HydrophobicContact CG1-CD2 4.35Å; V681-L1109 HydrophobicContact CG2-CD2 3.55Å; F1105-L1109 HydrophobicContact CD1-CD1 3.93Å; F1105-L1109 HydrophobicContact CE1-CD1 3.63Å; F1105-L1109 HydrophobicContact CZ-CD1 4.03Å; F1105-L1109 WeakPolarHBondContact O-CB 3.48Å; F1105-L1109 WeakPolarHBondContact O-CG 3.43Å; F1105-L1109 PolarHBondContact O-N 3.14Å; Y1106-L1109 HydrophobicContact CD1-CD1 4.44Å; Y1106-L1109 CarbonylContact O-C 3.6Å; Y1106-L1109 PolarHBondContact O-N 3.32Å; L1109-N1113 WeakPolarHBondContact O-CA 3.44Å; L1109-N1113 WeakPolarHBondContact O-CB 3.49Å; L1109-N1113 PolarHBondContact O-N 3.05Å; L1109-N1113 PolarHBondContact O-ND2 3.28Å
1110	I	34.7	Very low	36.2	Very low	62 Å²	62	59.5 Å²	59.5	32%	0.318	29%	0.293	S	S	.	.	H	α-helix	trans	-72	-51.8	-179.4	-64.3	158.8	0	0	0	110.1	I482 Y1106 N1113 Q1114	I482-I1110 HydrophobicContact CD1-CB 3.98Å; I482-I1110 HydrophobicContact CD1-CG1 3.57Å; I482-I1110 HydrophobicContact CD1-CG2 3.98Å; Y1106-I1110 WeakPolarHBondContact O-CA 3.44Å; Y1106-I1110 WeakPolarHBondContact O-CB 3.24Å; Y1106-I1110 VanDerWaalsContact O-CD1 3.3Å; Y1106-I1110 WeakPolarHBondContact O-CD1 3.42Å; Y1106-I1110 WeakPolarHBondContact O-CG1 3.46Å; Y1106-I1110 PolarHBondContact O-N 2.97Å; I1110-N1113 PolarHBondContact O-N 2.71Å; I1110-Q1114 VanDerWaalsContact O-CA 3.3Å; I1110-Q1114 WeakPolarHBondContact O-CA 3.38Å; I1110-Q1114 WeakPolarHBondContact O-CB 3.38Å; I1110-Q1114 PolarHBondContact O-N 2.69Å
1111	D	36	Very low	36.7	Very low	69 Å²	69	62.4 Å²	62.4	37%	0.369	30%	0.302	S	S	.	.	H	α-helix	trans	-67.7	-39.3	179.1	-60.1	4.1	0	0	0	112.6	S1107 K1115	S1107-D1111 VanDerWaalsContact O-CA 3.26Å; S1107-D1111 WeakPolarHBondContact O-CA 3.42Å; S1107-D1111 WeakPolarHBondContact O-CB 3.19Å; S1107-D1111 PolarHBondContact O-N 3.18Å; S1107-D1111 VanDerWaalsContact O-OD1 3.06Å; S1107-D1111 PolarHBondContact OG-OD1 3.32Å; D1111-K1115 WeakPolarHBondContact O-CA 3.35Å; D1111-K1115 WeakPolarHBondContact O-CB 3.46Å; D1111-K1115 VanDerWaalsContact O-CG 3.24Å; D1111-K1115 WeakPolarHBondContact O-CG 3.48Å; D1111-K1115 PolarHBondContact O-N 2.86Å
1112	N	37.8	Very low	36.9	Very low	71 Å²	71	62.8 Å²	62.8	38%	0.38	31%	0.306	S	S	.	.	H	α-helix	trans	-73.1	-40.5	175.9	-62.9	-32.5	0	0	0	110.4	Q1108 Q1116	Q1108-N1112 WeakPolarHBondContact O-CA 3.34Å; Q1108-N1112 WeakPolarHBondContact O-CB 3.41Å; Q1108-N1112 PolarHBondContact O-N 2.87Å; Q1108-N1112 PolarHBondContact O-ND2 2.88Å; Q1108-N1112 VanDerWaalsContact O-ND2 3.13Å; N1112-Q1116 WeakPolarHBondContact O-CA 3.49Å; N1112-Q1116 WeakPolarHBondContact O-CB 3.47Å; N1112-Q1116 PolarHBondContact O-N 3.29Å
1113	N	38.2	Very low	37.3	Very low	6 Å²	6	67.9 Å²	67.9	3%	0.032	33%	0.331	C	S	.	.	H	α-helix	trans	-67.6	-42.8	175.1	-64.2	-28.9	0	0	0	110.1	I482 L485 L1109 I1110 Q1116 I1117	I482-N1113 HydrophobicContact CG1-CB 4.03Å; L485-N1113 HydrophobicContact CD2-CB 4.4Å; L1109-N1113 WeakPolarHBondContact O-CA 3.44Å; L1109-N1113 WeakPolarHBondContact O-CB 3.49Å; L1109-N1113 PolarHBondContact O-N 3.05Å; L1109-N1113 PolarHBondContact O-ND2 3.28Å; I1110-N1113 PolarHBondContact O-N 2.71Å; N1113-Q1116 CarbonylContact O-C 3.35Å; N1113-Q1116 PolarHBondContact O-N 3.35Å; N1113-I1117 HydrophobicContact CB-CD1 4.27Å; N1113-I1117 VanDerWaalsContact O-CB 3.29Å; N1113-I1117 WeakPolarHBondContact O-CB 3.16Å; N1113-I1117 WeakPolarHBondContact O-CD1 3.28Å; N1113-I1117 WeakPolarHBondContact O-CG1 3.35Å; N1113-I1117 PolarHBondContact O-N 3.34Å
1114	Q	41	Very low	37.4	Very low	26 Å²	26	73 Å²	73	12%	0.121	35%	0.349	C	S	.	.	H	α-helix	trans	-70.5	-42.6	-177.4	-171.1	67.2	32.9	0	0	111.4	S479 I1110 Q1116 I1117 D1118	S479-Q1114 PolarHBondContact OG-OE1 2.9Å; S479-Q1114 VanDerWaalsContact OG-OE1 3.08Å; I1110-Q1114 VanDerWaalsContact O-CA 3.3Å; I1110-Q1114 WeakPolarHBondContact O-CA 3.38Å; I1110-Q1114 WeakPolarHBondContact O-CB 3.38Å; I1110-Q1114 PolarHBondContact O-N 2.69Å; Q1114-Q1116 VanDerWaalsContact C-N 3.34Å; Q1114-I1117 CarbonylContact O-C 3.56Å; Q1114-I1117 WeakPolarHBondContact O-CB 3.34Å; Q1114-I1117 PolarHBondContact O-N 2.62Å; Q1114-I1117 VanDerWaalsContact O-N 3.17Å; Q1114-D1118 WeakPolarHBondContact O-CB 3.39Å; Q1114-D1118 PolarHBondContact O-N 3.48Å
1115	K	45.9	Very low	37.7	Very low	83 Å²	83	76.2 Å²	76.2	36%	0.361	37%	0.365	S	S	.	.	H	α-helix	trans	-64.9	-39.8	168.4	-73.8	175.9	176.6	171.7	0	111	D1111 I1117 D1118 L1119	D1111-K1115 WeakPolarHBondContact O-CA 3.35Å; D1111-K1115 WeakPolarHBondContact O-CB 3.46Å; D1111-K1115 VanDerWaalsContact O-CG 3.24Å; D1111-K1115 WeakPolarHBondContact O-CG 3.48Å; D1111-K1115 PolarHBondContact O-N 2.86Å; K1115-I1117 VanDerWaalsContact C-N 3.26Å; K1115-I1117 PolarHBondContact O-N 3.14Å; K1115-D1118 CarbonylContact O-C 3.48Å; K1115-D1118 PolarHBondContact O-N 3.1Å; K1115-L1119 WeakPolarHBondContact O-CB 3.47Å; K1115-L1119 WeakPolarHBondContact O-CD1 3.34Å; K1115-L1119 WeakPolarHBondContact O-CG 3.38Å; K1115-L1119 PolarHBondContact O-N 2.93Å
1116	Q	43.3	Very low	38.3	Very low	28 Å²	28	72.7 Å²	72.7	13%	0.131	36%	0.36	C	S	.	.	H	α-helix	trans	-65.2	-32.7	173.3	-167.2	172.6	30.1	0	0	111.4	T684 N1112 N1113 Q1114 L1119 I1120	T684-Q1116 PolarHBondContact OG1-NE2 2.9Å; N1112-Q1116 WeakPolarHBondContact O-CA 3.49Å; N1112-Q1116 WeakPolarHBondContact O-CB 3.47Å; N1112-Q1116 PolarHBondContact O-N 3.29Å; N1113-Q1116 CarbonylContact O-C 3.35Å; N1113-Q1116 PolarHBondContact O-N 3.35Å; Q1114-Q1116 VanDerWaalsContact C-N 3.34Å; Q1116-L1119 CarbonylContact O-C 3.35Å; Q1116-L1119 PolarHBondContact O-N 3.22Å; Q1116-I1120 HydrophobicContact CG-CD1 4.02Å; Q1116-I1120 HydrophobicContact CG-CG1 4.36Å; Q1116-I1120 VanDerWaalsContact O-CB 3.26Å; Q1116-I1120 WeakPolarHBondContact O-CB 3.45Å; Q1116-I1120 WeakPolarHBondContact O-CD1 3.39Å; Q1116-I1120 WeakPolarHBondContact O-CG1 3.35Å; Q1116-I1120 PolarHBondContact O-N 3.26Å
1117	I	45.2	Very low	39	Very low	5 Å²	5	69 Å²	69	3%	0.026	35%	0.349	C	S	.	.	H	α-helix	trans	-70.6	-40.6	174.4	-72.8	151.7	0	0	0	109.8	I482 N1113 Q1114 K1115 L1119 I1120 K1121	I482-I1117 HydrophobicContact CG1-CD1 4.27Å; N1113-I1117 HydrophobicContact CB-CD1 4.27Å; N1113-I1117 VanDerWaalsContact O-CB 3.29Å; N1113-I1117 WeakPolarHBondContact O-CB 3.16Å; N1113-I1117 WeakPolarHBondContact O-CD1 3.28Å; N1113-I1117 WeakPolarHBondContact O-CG1 3.35Å; N1113-I1117 PolarHBondContact O-N 3.34Å; Q1114-I1117 CarbonylContact O-C 3.56Å; Q1114-I1117 WeakPolarHBondContact O-CB 3.34Å; Q1114-I1117 PolarHBondContact O-N 2.62Å; Q1114-I1117 VanDerWaalsContact O-N 3.17Å; K1115-I1117 VanDerWaalsContact C-N 3.26Å; K1115-I1117 PolarHBondContact O-N 3.14Å; I1117-L1119 VanDerWaalsContact C-N 3.29Å; I1117-L1119 PolarHBondContact O-N 3.02Å; I1117-I1120 CarbonylContact O-C 3.56Å; I1117-I1120 PolarHBondContact O-N 3.14Å; I1117-K1121 HydrophobicContact CG2-CD 4.01Å; I1117-K1121 HydrophobicContact CG2-CG 4.39Å; I1117-K1121 VanDerWaalsContact O-CB 3.24Å; I1117-K1121 WeakPolarHBondContact O-CB 3.45Å; I1117-K1121 VanDerWaalsContact O-CG 3.23Å; I1117-K1121 WeakPolarHBondContact O-CG 3.45Å; I1117-K1121 PolarHBondContact O-N 3.38Å
1118	D	45	Very low	39.8	Very low	51 Å²	51	70.2 Å²	70.2	27%	0.273	35%	0.351	S	S	.	.	H	α-helix	trans	-67.8	-31.3	172.8	-71	-22.5	0	0	0	111.6	Q1114 K1115 K1122	Q1114-D1118 WeakPolarHBondContact O-CB 3.39Å; Q1114-D1118 PolarHBondContact O-N 3.48Å; K1115-D1118 CarbonylContact O-C 3.48Å; K1115-D1118 PolarHBondContact O-N 3.1Å; D1118-K1122 WeakPolarHBondContact O-CA 3.31Å; D1118-K1122 WeakPolarHBondContact O-CB 3.4Å; D1118-K1122 WeakPolarHBondContact O-CG 3.47Å; D1118-K1122 PolarHBondContact O-N 2.99Å
1119	L	44	Very low	40.8	Very low	74 Å²	74	67.3 Å²	67.3	39%	0.387	34%	0.337	S	S	.	.	H	α-helix	trans	-78.6	-22.9	171.4	-68.3	162.9	0	0	0	112.8	K1115 Q1116 I1117 K1122	K1115-L1119 WeakPolarHBondContact O-CB 3.47Å; K1115-L1119 WeakPolarHBondContact O-CD1 3.34Å; K1115-L1119 WeakPolarHBondContact O-CG 3.38Å; K1115-L1119 PolarHBondContact O-N 2.93Å; Q1116-L1119 CarbonylContact O-C 3.35Å; Q1116-L1119 PolarHBondContact O-N 3.22Å; I1117-L1119 VanDerWaalsContact C-N 3.29Å; I1117-L1119 PolarHBondContact O-N 3.02Å; L1119-K1122 CarbonylContact C-O 3.59Å; L1119-K1122 VanDerWaalsContact C-O 3.29Å; L1119-K1122 WeakPolarHBondContact CA-O 3.21Å; L1119-K1122 CarbonylContact O-C 3.52Å
1120	I	40.7	Very low	42.1	Very low	48 Å²	48	68 Å²	68	25%	0.246	34%	0.34	C	S	.	.	H	α-helix	trans	-80.2	-40.1	171.4	-73.9	160.3	0	0	0	109	T558 Q1116 I1117	T558-I1120 HydrophobicContact CG2-CG1 4.14Å; Q1116-I1120 HydrophobicContact CG-CD1 4.02Å; Q1116-I1120 HydrophobicContact CG-CG1 4.36Å; Q1116-I1120 VanDerWaalsContact O-CB 3.26Å; Q1116-I1120 WeakPolarHBondContact O-CB 3.45Å; Q1116-I1120 WeakPolarHBondContact O-CD1 3.39Å; Q1116-I1120 WeakPolarHBondContact O-CG1 3.35Å; Q1116-I1120 PolarHBondContact O-N 3.26Å; I1117-I1120 CarbonylContact O-C 3.56Å; I1117-I1120 PolarHBondContact O-N 3.14Å
1121	K	38.9	Very low	43.5	Very low	135 Å²	135	66 Å²	66	59%	0.587	33%	0.332	S	S	*	.	H	α-helix	trans	-74.9	-39.8	178.5	-75.4	177.7	179.7	178.1	0	111.8	I1117	I1117-K1121 HydrophobicContact CG2-CD 4.01Å; I1117-K1121 HydrophobicContact CG2-CG 4.39Å; I1117-K1121 VanDerWaalsContact O-CB 3.24Å; I1117-K1121 WeakPolarHBondContact O-CB 3.45Å; I1117-K1121 VanDerWaalsContact O-CG 3.23Å; I1117-K1121 WeakPolarHBondContact O-CG 3.45Å; I1117-K1121 PolarHBondContact O-N 3.38Å
1122	K	36.3	Very low	45.3	Very low	138 Å²	138	66 Å²	66	60%	0.6	33%	0.332	S	S	*	.	S	Bend	trans	-102.7	100.6	169.7	-57.4	170.2	-177.8	167	0	105.6	D1118 L1119 K1124	D1118-K1122 WeakPolarHBondContact O-CA 3.31Å; D1118-K1122 WeakPolarHBondContact O-CB 3.4Å; D1118-K1122 WeakPolarHBondContact O-CG 3.47Å; D1118-K1122 PolarHBondContact O-N 2.99Å; L1119-K1122 CarbonylContact C-O 3.59Å; L1119-K1122 VanDerWaalsContact C-O 3.29Å; L1119-K1122 WeakPolarHBondContact CA-O 3.21Å; L1119-K1122 CarbonylContact O-C 3.52Å; K1122-K1124 HydrophobicContact CB-CB 4.33Å; K1122-K1124 PolarHBondContact O-N 3.28Å
1123	D	37.6	Very low	47.4	Very low	161 Å²	161	63.4 Å²	63.4	86%	0.861	32%	0.319	S	S	*	.			trans	-53.9	25.4	168.6	-115.1	-6.2	0	0	0	113.9
1124	K	33.9	Very low	49.7	Very low	160 Å²	160	64.3 Å²	64.3	70%	0.696	32%	0.322	S	S	*	.			trans	-111.2	116.9	-169.8	-70.3	-170.4	175.5	-175.8	0	109.6	K1122	K1122-K1124 HydrophobicContact CB-CB 4.33Å; K1122-K1124 PolarHBondContact O-N 3.28Å
1125	I	35.6	Very low	51.9	Low	134 Å²	134	64.9 Å²	64.9	69%	0.687	33%	0.329	S	S	*	.			trans	90.6	102.1	170.7	-50.1	170.4	0	0	0	112.9	D1127	I1125-D1127 PolarHBondContact O-N 3.01Å
1126	G	41.4	Very low	54	Low	38 Å²	38	64.6 Å²	64.6	39%	0.392	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-62.4	127.3	172.1	0	0	0	0	0	110.5	K1128	G1126-K1128 PolarHBondContact O-N 3.15Å
1127	D	47	Very low	56.3	Low	43 Å²	43	65.8 Å²	65.8	23%	0.23	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-46.7	125.8	161.9	-83.1	-30.3	0	0	0	107.9	S132 I1125 L1129	S132-D1127 WeakPolarHBondContact CB-O 3.33Å; S132-D1127 PolarHBondContact OG-O 3.27Å; I1125-D1127 PolarHBondContact O-N 3.01Å; D1127-L1129 PolarHBondContact O-N 3.41Å
1128	K	49.2	Very low	58.5	Low	50 Å²	50	65.5 Å²	65.5	22%	0.217	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-63	127.7	178.7	-66.2	-174.5	-179.8	-166.9	0	107.3	H125 S686 G1126 I1130	H125-K1128 PolarHBondContact CD2-NZ 3.08Å; H125-K1128 WeakPolarHBondContact NE2-CE 3.47Å; H125-K1128 PolarHBondContact NE2-NZ 3.44Å; S686-K1128 PolarHBondContact OG-O 3.14Å; G1126-K1128 PolarHBondContact O-N 3.15Å; K1128-I1130 WeakPolarHBondContact CB-O 3.42Å; K1128-I1130 PolarHBondContact O-N 3.22Å
1129	L	53	Low	60.8	Low	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.336	C	S	.	.	S	Bend	trans	-59.9	-33.7	178.7	-160.5	75.2	0	0	0	111	F81 L131 F135 S686 D1127	F81-L1129 HydrophobicContact CD1-CD1 4.43Å; F81-L1129 HydrophobicContact CD1-CD2 3.29Å; F81-L1129 HydrophobicContact CD1-CG 3.81Å; F81-L1129 HydrophobicContact CE1-CD1 3.63Å; F81-L1129 HydrophobicContact CE1-CD2 3.27Å; F81-L1129 HydrophobicContact CE1-CG 3.2Å; F81-L1129 HydrophobicContact CG-CD2 4.18Å; F81-L1129 HydrophobicContact CZ-CD1 4.26Å; F81-L1129 HydrophobicContact CZ-CD2 4.09Å; F81-L1129 HydrophobicContact CZ-CG 3.65Å; F81-L1129 WeakPolarHBondContact CZ-O 3.46Å; L131-L1129 HydrophobicContact CB-CD2 3.56Å; L131-L1129 HydrophobicContact CD1-CD2 4.22Å; F135-L1129 HydrophobicContact CB-CD1 4.03Å; F135-L1129 HydrophobicContact CD1-CD1 4.1Å; F135-L1129 HydrophobicContact CG-CD1 4.22Å; S686-L1129 VanDerWaalsContact CB-CD1 3.44Å; S686-L1129 WeakPolarHBondContact OG-CA 3.1Å; S686-L1129 PolarHBondContact OG-O 3.21Å; D1127-L1129 PolarHBondContact O-N 3.41Å
1130	I	59.3	Low	63	Low	46 Å²	46	64 Å²	64	24%	0.236	34%	0.339	C	S	.	.	S	Bend	trans	-117.1	109.3	172.3	-62	169.6	0	0	0	107.2	F81 F123 S128 K1128	F81-I1130 HydrophobicContact CD2-CG1 4.48Å; F81-I1130 HydrophobicContact CE2-CG1 4.27Å; F123-I1130 HydrophobicContact CB-CD1 4.09Å; F123-I1130 HydrophobicContact CD1-CD1 3.67Å; F123-I1130 HydrophobicContact CD2-CD1 3.31Å; F123-I1130 HydrophobicContact CE1-CD1 3.69Å; F123-I1130 HydrophobicContact CE2-CD1 3.35Å; F123-I1130 HydrophobicContact CG-CD1 3.46Å; F123-I1130 VanDerWaalsContact CG-CD1 3.46Å; F123-I1130 HydrophobicContact CZ-CD1 3.54Å; S128-I1130 PolarHBondContact OG-N 2.79Å; K1128-I1130 WeakPolarHBondContact CB-O 3.42Å; K1128-I1130 PolarHBondContact O-N 3.22Å
1131	S	65	Low	65.4	Low	21 Å²	21	62.3 Å²	62.3	15%	0.147	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-82.7	131.3	176.1	-66.3	0	0	0	0	110.5
1132	L	73	Confident	68.1	Low	69 Å²	69	55.9 Å²	55.9	36%	0.361	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-63.5	144.1	177.5	-69.7	174.7	0	0	0	110.8	Q1071 I1089 Q1090	Q1071-L1132 HydrophobicContact CB-CD2 4.12Å; I1089-L1132 CarbonylContact C-O 3.52Å; I1089-L1132 WeakPolarHBondContact CA-O 3.42Å; Q1090-L1132 PolarHBondContact N-O 3.23Å
1133	P	81.2	Confident	70.8	Confident	15 Å²	15	49.4 Å²	49.4	10%	0.097	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-64.9	140.4	175.3	27.3	-35.1	0	0	0	111.1	S1067 Q1071 R1073 S1135 Q1138	S1067-P1133 WeakPolarHBondContact O-CG 3.5Å; Q1071-P1133 VanDerWaalsContact C-CG 3.42Å; Q1071-P1133 WeakPolarHBondContact O-CD 3.39Å; Q1071-P1133 WeakPolarHBondContact O-CG 3.5Å; R1073-P1133 HydrophobicContact CG-CB 4.28Å; P1133-S1135 PolarHBondContact O-N 3.46Å; P1133-S1135 VanDerWaalsContact O-N 3.13Å; P1133-Q1138 HydrophobicContact CB-CG 3.82Å
1134	K	86.3	Confident	73.4	Confident	26 Å²	26	42.2 Å²	42.2	11%	0.113	24%	0.238	C	C	.	.			trans	-80.1	93	163.3	-177.4	162.5	-179.9	167.1	0	108.5	Y1088 D1099 S1136 K1137 Q1138	Y1088-K1134 PolarHBondContact O-N 3.35Å; D1099-K1134 IonicContact OD1-NZ 3.73Å; D1099-K1134 PolarHBondContact OD1-NZ 3.03Å; K1134-S1136 VanDerWaalsContact C-N 3.3Å; K1134-S1136 PolarHBondContact O-N 3.31Å; K1134-K1137 HydrophobicContact CB-CB 4.38Å; K1134-K1137 HydrophobicContact CD-CD 3.86Å; K1134-K1137 HydrophobicContact CD-CG 3.89Å; K1134-K1137 HydrophobicContact CG-CB 4.21Å; K1134-K1137 HydrophobicContact CG-CD 4.42Å; K1134-K1137 HydrophobicContact CG-CG 4.05Å; K1134-K1137 PolarHBondContact O-N 3.39Å; K1134-Q1138 WeakPolarHBondContact O-CG 3.28Å; K1134-Q1138 PolarHBondContact O-N 3.27Å
1135	S	88.9	Confident	76.3	Confident	37 Å²	37	34.7 Å²	34.7	26%	0.259	21%	0.206	S	C	.	.	H	α-helix	trans	-52.3	-41.7	-169.7	177.9	0	0	0	0	114.2	S1067 P1133 K1137 Q1138 T1139	S1067-S1135 WeakPolarHBondContact OG-CA 3.34Å; S1067-S1135 WeakPolarHBondContact OG-CB 3.45Å; S1067-S1135 PolarHBondContact OG-OG 2.82Å; P1133-S1135 PolarHBondContact O-N 3.46Å; P1133-S1135 VanDerWaalsContact O-N 3.13Å; S1135-K1137 PolarHBondContact O-N 3.04Å; S1135-Q1138 PolarHBondContact O-N 3.09Å; S1135-T1139 WeakPolarHBondContact O-CB 3.5Å; S1135-T1139 PolarHBondContact O-N 3.18Å; S1135-T1139 PolarHBondContact O-OG1 3.42Å
1136	S	89.8	Confident	79.2	Confident	77 Å²	77	28.5 Å²	28.5	54%	0.538	17%	0.174	S	C	.	.	H	α-helix	trans	-60.3	-45.7	177.5	56.5	0	0	0	0	112.8	K1134 T1139 S1140	K1134-S1136 VanDerWaalsContact C-N 3.3Å; K1134-S1136 PolarHBondContact O-N 3.31Å; S1136-T1139 PolarHBondContact O-N 3.38Å; S1136-S1140 PolarHBondContact O-N 3.4Å; S1136-S1140 PolarHBondContact O-OG 2.9Å
1137	K	89.9	Confident	81.8	Confident	53 Å²	53	26.7 Å²	26.7	23%	0.23	16%	0.155	C	C	.	.	H	α-helix	trans	-70.8	-39.6	177.6	-70.5	-166.8	-179.7	-178.3	0	112.3	Y1088 K1134 S1135 T1139 A1141	Y1088-K1137 HydrophobicContact CD1-CB 4.3Å; Y1088-K1137 HydrophobicContact CD1-CD 4.26Å; Y1088-K1137 HydrophobicContact CD2-CB 4.49Å; Y1088-K1137 HydrophobicContact CG-CB 3.93Å; K1134-K1137 HydrophobicContact CB-CB 4.38Å; K1134-K1137 HydrophobicContact CD-CD 3.86Å; K1134-K1137 HydrophobicContact CD-CG 3.89Å; K1134-K1137 HydrophobicContact CG-CB 4.21Å; K1134-K1137 HydrophobicContact CG-CD 4.42Å; K1134-K1137 HydrophobicContact CG-CG 4.05Å; K1134-K1137 PolarHBondContact O-N 3.39Å; S1135-K1137 PolarHBondContact O-N 3.04Å; K1137-T1139 PolarHBondContact O-N 3.35Å; K1137-A1141 WeakPolarHBondContact O-CB 3.41Å; K1137-A1141 PolarHBondContact O-N 2.86Å
1138	Q	92.9	Very high	84	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.8	-42	174.4	-71.9	-73.7	-22.8	0	0	110.9	V1074 Q1086 Y1088 P1133 K1134 S1135 F1142	V1074-Q1138 HydrophobicContact CG2-CB 4.33Å; Q1086-Q1138 VanDerWaalsContact CB-OE1 3.26Å; Q1086-Q1138 PolarHBondContact NE2-O 3.05Å; Q1086-Q1138 PolarHBondContact O-NE2 3.47Å; Y1088-Q1138 PolarHBondContact O-NE2 3.3Å; P1133-Q1138 HydrophobicContact CB-CG 3.82Å; K1134-Q1138 WeakPolarHBondContact O-CG 3.28Å; K1134-Q1138 PolarHBondContact O-N 3.27Å; S1135-Q1138 PolarHBondContact O-N 3.09Å; Q1138-F1142 WeakPolarHBondContact O-CB 3.31Å; Q1138-F1142 PolarHBondContact O-N 2.98Å
1139	T	92.8	Very high	86.2	Confident	27 Å²	27	23.2 Å²	23.2	17%	0.166	14%	0.139	C	C	.	.	H	α-helix	trans	-68.5	-55.3	179.2	-56.2	0	0	0	0	111.7	C1060 K1064 S1135 S1136 K1137 A1141 F1142	C1060-T1139 HydrophobicContact CB-CG2 4.05Å; C1060-T1139 WeakPolarHBondContact O-CG2 3.37Å; K1064-T1139 HydrophobicContact CB-CG2 4.47Å; S1135-T1139 WeakPolarHBondContact O-CB 3.5Å; S1135-T1139 PolarHBondContact O-N 3.18Å; S1135-T1139 PolarHBondContact O-OG1 3.42Å; S1136-T1139 PolarHBondContact O-N 3.38Å; K1137-T1139 PolarHBondContact O-N 3.35Å; T1139-A1141 VanDerWaalsContact C-N 3.31Å; T1139-A1141 PolarHBondContact O-N 2.72Å; T1139-F1142 PolarHBondContact O-N 3.13Å
1140	S	90	Very high	88.3	Confident	66 Å²	66	23.3 Å²	23.3	46%	0.462	14%	0.139	S	C	.	.	H	α-helix	trans	-68.4	-29.1	-174.3	65.8	0	0	0	0	113.7	S1136	S1136-S1140 PolarHBondContact O-N 3.4Å; S1136-S1140 PolarHBondContact O-OG 2.9Å
1141	A	91.2	Very high	90.1	Very high	12 Å²	12	21.1 Å²	21.1	10%	0.099	13%	0.128	C	C	.	.	H	α-helix	trans	-92.2	-6.8	-177	0	0	0	0	0	113.7	Q1086 Y1088 K1137 T1139 P1144 N1145	Q1086-A1141 PolarHBondContact OE1-O 2.9Å; Y1088-A1141 HydrophobicContact CD2-CB 3.96Å; Y1088-A1141 HydrophobicContact CE2-CB 3.2Å; K1137-A1141 WeakPolarHBondContact O-CB 3.41Å; K1137-A1141 PolarHBondContact O-N 2.86Å; T1139-A1141 VanDerWaalsContact C-N 3.31Å; T1139-A1141 PolarHBondContact O-N 2.72Å; A1141-P1144 WeakPolarHBondContact O-CD 3.38Å; A1141-P1144 VanDerWaalsContact O-CG 3.27Å; A1141-P1144 WeakPolarHBondContact O-CG 3.47Å; A1141-N1145 VanDerWaalsContact O-CB 3.27Å; A1141-N1145 WeakPolarHBondContact O-CB 3.2Å; A1141-N1145 PolarHBondContact O-N 2.77Å; A1141-N1145 PolarHBondContact O-ND2 3.43Å
1142	F	95.1	Very high	91.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-67.7	-54.1	-175.7	178	-139.8	0	0	0	113	L1059 A1063 V1074 W1076 Q1138 T1139 N1145 F1146 F1206	L1059-F1142 HydrophobicContact CB-CD1 3.73Å; L1059-F1142 HydrophobicContact CB-CE1 3.76Å; L1059-F1142 HydrophobicContact CD2-CD1 4.3Å; L1059-F1142 HydrophobicContact CD2-CE1 3.47Å; L1059-F1142 VanDerWaalsContact CD2-CE1 3.47Å; L1059-F1142 HydrophobicContact CD2-CZ 3.76Å; L1059-F1142 HydrophobicContact CG-CE1 4.14Å; L1059-F1142 WeakPolarHBondContact O-CD1 3.32Å; A1063-F1142 HydrophobicContact CB-CB 3.99Å; A1063-F1142 HydrophobicContact CB-CD1 3.81Å; A1063-F1142 HydrophobicContact CB-CG 4.25Å; V1074-F1142 HydrophobicContact CG1-CD1 4.07Å; V1074-F1142 HydrophobicContact CG1-CD2 3.59Å; V1074-F1142 HydrophobicContact CG1-CE1 4.09Å; V1074-F1142 HydrophobicContact CG1-CE2 3.65Å; V1074-F1142 HydrophobicContact CG1-CG 3.83Å; V1074-F1142 HydrophobicContact CG1-CZ 3.91Å; W1076-F1142 HydrophobicContact CD2-CE2 4.08Å; W1076-F1142 HydrophobicContact CE3-CD2 4.09Å; W1076-F1142 AromaticContact CE3-CE2 3.49Å; W1076-F1142 HydrophobicContact CE3-CE2 3.49Å; W1076-F1142 VanDerWaalsContact CE3-CE2 3.49Å; W1076-F1142 HydrophobicContact CE3-CZ 4.49Å; W1076-F1142 HydrophobicContact CH2-CD2 4.19Å; W1076-F1142 HydrophobicContact CH2-CE2 4.17Å; W1076-F1142 AromaticContact CZ3-CD2 3.68Å; W1076-F1142 HydrophobicContact CZ3-CD2 3.68Å; W1076-F1142 AromaticContact CZ3-CE2 3.56Å; W1076-F1142 HydrophobicContact CZ3-CE2 3.56Å; Q1138-F1142 WeakPolarHBondContact O-CB 3.31Å; Q1138-F1142 PolarHBondContact O-N 2.98Å; T1139-F1142 PolarHBondContact O-N 3.13Å; F1142-N1145 PolarHBondContact O-N 3.48Å; F1142-N1145 VanDerWaalsContact O-N 3.11Å; F1142-F1146 HydrophobicContact CD2-CB 4.37Å; F1142-F1146 HydrophobicContact CE2-CB 4.03Å; F1142-F1146 AromaticContact CE2-CD2 3.82Å; F1142-F1146 HydrophobicContact CE2-CD2 3.82Å; F1142-F1146 HydrophobicContact CE2-CG 4.3Å; F1142-F1146 HydrophobicContact CZ-CD2 4Å; F1142-F1146 WeakPolarHBondContact O-CB 3.36Å; F1142-F1146 PolarHBondContact O-N 2.7Å; F1142-F1206 AromaticContact CE1-CE1 3.96Å; F1142-F1206 HydrophobicContact CE1-CE1 3.96Å; F1142-F1206 HydrophobicContact CE1-CE2 4.46Å; F1142-F1206 AromaticContact CE1-CZ 3.6Å; F1142-F1206 HydrophobicContact CE1-CZ 3.6Å; F1142-F1206 HydrophobicContact CE2-CZ 4.45Å; F1142-F1206 AromaticContact CZ-CE1 3.84Å; F1142-F1206 HydrophobicContact CZ-CE1 3.84Å; F1142-F1206 AromaticContact CZ-CE2 3.72Å; F1142-F1206 HydrophobicContact CZ-CE2 3.72Å; F1142-F1206 AromaticContact CZ-CZ 3.28Å; F1142-F1206 HydrophobicContact CZ-CZ 3.28Å
1143	P	93.8	Very high	92.7	Very high	3 Å²	3	17 Å²	17	2%	0.019	11%	0.105	C	C	.	.	H	α-helix	trans	-53.2	-49.2	177.3	-19.6	26.8	0	0	0	114.8	Q1056 L1059 C1060 N1145 F1146 I1147	Q1056-P1143 HydrophobicContact CB-CB 4.33Å; Q1056-P1143 HydrophobicContact CB-CG 4.37Å; Q1056-P1143 HydrophobicContact CG-CB 3.85Å; Q1056-P1143 HydrophobicContact CG-CG 4.41Å; L1059-P1143 HydrophobicContact CB-CG 4.09Å; L1059-P1143 HydrophobicContact CD1-CB 4.18Å; C1060-P1143 VanDerWaalsContact SG-CG 3.57Å; P1143-N1145 VanDerWaalsContact C-N 3.31Å; P1143-N1145 PolarHBondContact O-N 2.79Å; P1143-F1146 PolarHBondContact O-N 3.44Å; P1143-I1147 PolarHBondContact O-N 2.72Å; P1143-I1147 VanDerWaalsContact O-N 3.09Å
1144	P	92.3	Very high	93.5	Very high	9 Å²	9	16.3 Å²	16.3	6%	0.058	10%	0.1	C	C	.	.	H	α-helix	trans	-57	-43.3	175.3	5.1	-16.9	0	0	0	113.5	Y1004 A1141 F1146 H1148	Y1004-P1144 HydrophobicContact CD1-CB 4.2Å; Y1004-P1144 VanDerWaalsContact O-CB 3.3Å; Y1004-P1144 WeakPolarHBondContact O-CB 3.26Å; Y1004-P1144 WeakPolarHBondContact O-CG 3.5Å; A1141-P1144 WeakPolarHBondContact O-CD 3.38Å; A1141-P1144 VanDerWaalsContact O-CG 3.27Å; A1141-P1144 WeakPolarHBondContact O-CG 3.47Å; P1144-F1146 VanDerWaalsContact C-N 3.34Å; P1144-H1148 WeakPolarHBondContact O-CB 3.39Å; P1144-H1148 PolarHBondContact O-N 2.89Å; P1144-H1148 PolarHBondContact O-ND1 3.1Å
1145	N	95	Very high	94.1	Very high	2 Å²	2	15 Å²	15	1%	0.011	10%	0.095	C	C	.	.	H	α-helix	trans	-72.8	-33.6	-175.1	-67.5	-24.6	0	0	0	111.1	F806 R807 W1076 Q1086 Y1088 A1141 F1142 P1143 S1149	F806-N1145 HydrophobicContact CE2-CB 4.45Å; R807-N1145 WeakPolarHBondContact CD-OD1 3.48Å; R807-N1145 HydrophobicContact CG-CB 4.14Å; R807-N1145 PolarHBondContact NH1-OD1 3.41Å; R807-N1145 VanDerWaalsContact NH1-OD1 3.12Å; W1076-N1145 HydrophobicContact CH2-CB 3.78Å; W1076-N1145 HydrophobicContact CZ2-CB 4.46Å; W1076-N1145 WeakPolarHBondContact CZ2-O 3.32Å; Q1086-N1145 PolarHBondContact OE1-ND2 2.84Å; Y1088-N1145 WeakPolarHBondContact CE2-ND2 3.4Å; Y1088-N1145 PolarHBondContact OH-ND2 3.11Å; Y1088-N1145 VanDerWaalsContact OH-ND2 3.16Å; A1141-N1145 VanDerWaalsContact O-CB 3.27Å; A1141-N1145 WeakPolarHBondContact O-CB 3.2Å; A1141-N1145 PolarHBondContact O-N 2.77Å; A1141-N1145 PolarHBondContact O-ND2 3.43Å; F1142-N1145 PolarHBondContact O-N 3.48Å; F1142-N1145 VanDerWaalsContact O-N 3.11Å; P1143-N1145 VanDerWaalsContact C-N 3.31Å; P1143-N1145 PolarHBondContact O-N 2.79Å; N1145-S1149 PolarHBondContact O-N 2.88Å; N1145-S1149 VanDerWaalsContact O-N 3.09Å
1146	F	96.5	Very high	94.5	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.018	8%	0.083	C	C	.	.	H	α-helix	trans	-61.4	-50.7	173.2	-167.4	-100.3	0	0	0	111.2	L939 L1059 W1076 F1142 P1143 P1144 S1149 L1150 I1202 L1203 F1206	L939-F1146 HydrophobicContact CD1-CE1 4.47Å; L1059-F1146 HydrophobicContact CD1-CB 4.3Å; L1059-F1146 HydrophobicContact CD1-CD1 4.08Å; L1059-F1146 HydrophobicContact CD1-CG 4.28Å; W1076-F1146 AromaticContact CD1-CD2 3.87Å; W1076-F1146 AromaticContact CD1-CE2 3.8Å; W1076-F1146 HydrophobicContact CD2-CD2 4.03Å; W1076-F1146 AromaticContact CE2-CD2 3.82Å; W1076-F1146 HydrophobicContact CG-CD2 4.06Å; W1076-F1146 HydrophobicContact CG-CE2 4.12Å; W1076-F1146 HydrophobicContact CZ2-CB 4.4Å; W1076-F1146 HydrophobicContact CZ2-CD2 4.36Å; W1076-F1146 AromaticContact NE1-CD2 3.72Å; F1142-F1146 HydrophobicContact CD2-CB 4.37Å; F1142-F1146 HydrophobicContact CE2-CB 4.03Å; F1142-F1146 AromaticContact CE2-CD2 3.82Å; F1142-F1146 HydrophobicContact CE2-CD2 3.82Å; F1142-F1146 HydrophobicContact CE2-CG 4.3Å; F1142-F1146 HydrophobicContact CZ-CD2 4Å; F1142-F1146 WeakPolarHBondContact O-CB 3.36Å; F1142-F1146 PolarHBondContact O-N 2.7Å; P1143-F1146 PolarHBondContact O-N 3.44Å; P1144-F1146 VanDerWaalsContact C-N 3.34Å; F1146-S1149 PolarHBondContact O-N 3.37Å; F1146-S1149 VanDerWaalsContact O-N 3.16Å; F1146-S1149 PolarHBondContact O-OG 3.16Å; F1146-L1150 HydrophobicContact CD1-CD1 4.37Å; F1146-L1150 HydrophobicContact CE1-CD1 4.09Å; F1146-L1150 PolarHBondContact O-N 2.78Å; F1146-I1202 HydrophobicContact CE1-CG2 4.07Å; F1146-I1202 HydrophobicContact CZ-CG2 3.76Å; F1146-L1203 HydrophobicContact CE1-CD2 4.06Å; F1146-L1203 HydrophobicContact CZ-CD2 4.4Å; F1146-F1206 HydrophobicContact CE2-CB 4.37Å; F1146-F1206 HydrophobicContact CE2-CD2 4.29Å; F1146-F1206 HydrophobicContact CE2-CG 4.17Å; F1146-F1206 HydrophobicContact CZ-CB 4.39Å
1147	I	95	Very high	94.9	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.4	-45	178.8	-62.9	-58.6	0	0	0	112.4	H935 Y936 L939 Y1004 P1143 S1149 L1150 D1151	H935-I1147 HydrophobicContact CB-CD1 4.33Å; H935-I1147 HydrophobicContact CB-CG2 3.94Å; Y936-I1147 HydrophobicContact CD1-CD1 3.96Å; Y936-I1147 HydrophobicContact CD1-CG1 4.44Å; Y936-I1147 HydrophobicContact CD2-CD1 4.27Å; Y936-I1147 HydrophobicContact CD2-CG1 4.18Å; Y936-I1147 HydrophobicContact CE1-CD1 3.74Å; Y936-I1147 HydrophobicContact CE1-CG1 3.86Å; Y936-I1147 HydrophobicContact CE2-CD1 4.09Å; Y936-I1147 HydrophobicContact CE2-CG1 3.58Å; Y936-I1147 HydrophobicContact CG-CD1 4.2Å; Y936-I1147 WeakPolarHBondContact OH-CG1 3.46Å; L939-I1147 HydrophobicContact CD1-CD1 3.6Å; Y1004-I1147 HydrophobicContact CE1-CG2 4.2Å; P1143-I1147 PolarHBondContact O-N 2.72Å; P1143-I1147 VanDerWaalsContact O-N 3.09Å; I1147-S1149 PolarHBondContact O-N 2.8Å; I1147-L1150 HydrophobicContact CD1-CD1 4.46Å; I1147-L1150 WeakPolarHBondContact O-CB 3.29Å; I1147-L1150 PolarHBondContact O-N 3.39Å; I1147-D1151 PolarHBondContact O-N 3.2Å
1148	H	93.4	Very high	95.2	Very high	21 Å²	21	7.2 Å²	7.2	10%	0.097	5%	0.046	C	C	.	.	H	α-helix	trans	-57.6	-32.7	175	-76.8	127.7	0	0	0	112.6	R807 Y1004 P1144 L1150 D1151 S1152 H1173	R807-H1148 HydrophobicContact CB-CB 4.46Å; Y1004-H1148 AromaticContact CD1-CE1 3.28Å; Y1004-H1148 WeakPolarHBondContact CD1-CE1 3.32Å; Y1004-H1148 AromaticContact CD1-ND1 3.8Å; Y1004-H1148 AromaticContact CD1-NE2 3.55Å; Y1004-H1148 AromaticContact CE1-CD2 3.55Å; Y1004-H1148 AromaticContact CE1-CE1 3.49Å; Y1004-H1148 VanDerWaalsContact CE1-CE1 3.49Å; Y1004-H1148 WeakPolarHBondContact CE1-CE1 3.34Å; Y1004-H1148 AromaticContact CE1-CG 3.99Å; Y1004-H1148 AromaticContact CE1-ND1 3.95Å; Y1004-H1148 AromaticContact CE1-NE2 3.26Å; Y1004-H1148 VanDerWaalsContact CE1-NE2 3.26Å; Y1004-H1148 WeakPolarHBondContact CE1-NE2 3.43Å; Y1004-H1148 AromaticContact CE2-NE2 3.92Å; Y1004-H1148 AromaticContact CG-CE1 3.72Å; Y1004-H1148 AromaticContact CZ-CD2 3.89Å; Y1004-H1148 AromaticContact CZ-NE2 3.46Å; P1144-H1148 WeakPolarHBondContact O-CB 3.39Å; P1144-H1148 PolarHBondContact O-N 2.89Å; P1144-H1148 PolarHBondContact O-ND1 3.1Å; H1148-L1150 VanDerWaalsContact C-N 3.32Å; H1148-D1151 PolarHBondContact O-N 3.47Å; H1148-S1152 WeakPolarHBondContact O-CB 3.43Å; H1148-S1152 PolarHBondContact O-N 3.13Å; H1148-S1152 PolarHBondContact O-OG 3.15Å; H1148-H1173 AromaticContact CD2-NE2 3.77Å
1149	S	96.5	Very high	95.4	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-70.2	-29.1	177	77.2	0	0	0	0	113.5	R807 W1076 N1145 F1146 I1147 C1153	R807-S1149 VanDerWaalsContact O-CA 3.25Å; R807-S1149 WeakPolarHBondContact O-CA 3.5Å; R807-S1149 WeakPolarHBondContact O-CB 3.44Å; W1076-S1149 PolarHBondContact NE1-OG 2.92Å; N1145-S1149 PolarHBondContact O-N 2.88Å; N1145-S1149 VanDerWaalsContact O-N 3.09Å; F1146-S1149 PolarHBondContact O-N 3.37Å; F1146-S1149 VanDerWaalsContact O-N 3.16Å; F1146-S1149 PolarHBondContact O-OG 3.16Å; I1147-S1149 PolarHBondContact O-N 2.8Å; S1149-C1153 PolarHBondContact O-N 3.13Å; S1149-C1153 VanDerWaalsContact O-N 3.1Å; S1149-C1153 PolarHBondContact O-SG 3.17Å
1150	L	97.4	Very high	95.6	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.01	4%	0.044	C	C	.	.	H	α-helix	trans	-76.1	-40.3	173.9	-61.5	179.8	0	0	0	111.7	L939 P1079 F1146 I1147 H1148 S1152 C1153 H1154 L1197 I1202	L939-L1150 HydrophobicContact CD1-CD1 3.76Å; L939-L1150 HydrophobicContact CD2-CD1 4.05Å; L939-L1150 HydrophobicContact CG-CD1 4.2Å; P1079-L1150 HydrophobicContact CG-CD2 4.1Å; F1146-L1150 HydrophobicContact CD1-CD1 4.37Å; F1146-L1150 HydrophobicContact CE1-CD1 4.09Å; F1146-L1150 PolarHBondContact O-N 2.78Å; I1147-L1150 HydrophobicContact CD1-CD1 4.46Å; I1147-L1150 WeakPolarHBondContact O-CB 3.29Å; I1147-L1150 PolarHBondContact O-N 3.39Å; H1148-L1150 VanDerWaalsContact C-N 3.32Å; L1150-S1152 VanDerWaalsContact C-N 3.31Å; L1150-S1152 PolarHBondContact O-N 2.86Å; L1150-C1153 WeakPolarHBondContact O-CB 3.45Å; L1150-C1153 PolarHBondContact O-N 3.34Å; L1150-C1153 VanDerWaalsContact O-N 3.12Å; L1150-H1154 PolarHBondContact O-N 3.42Å; L1150-L1197 HydrophobicContact CB-CD2 4.47Å; L1150-L1197 VanDerWaalsContact O-CD2 3.31Å; L1150-L1197 WeakPolarHBondContact O-CD2 3.16Å; L1150-I1202 HydrophobicContact CD1-CD1 4.29Å; L1150-I1202 HydrophobicContact CD1-CG2 4.29Å; L1150-I1202 HydrophobicContact CD2-CD1 4.03Å; L1150-I1202 HydrophobicContact CD2-CG2 4.07Å
1151	D	95.6	Very high	96	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-59.2	-44.8	173	-173.3	17	0	0	0	110.8	N931 H935 I1147 H1148 C1153 H1154 M1155 H1173	N931-D1151 VanDerWaalsContact CG-CG 3.48Å; N931-D1151 PolarHBondContact ND2-OD1 3.26Å; N931-D1151 PolarHBondContact OD1-OD1 3Å; N931-D1151 PolarHBondContact OD1-OD2 2.77Å; N931-D1151 VanDerWaalsContact OD1-OD2 3.14Å; H935-D1151 WeakPolarHBondContact NE2-CA 3.36Å; H935-D1151 IonicContact NE2-OD1 3.69Å; I1147-D1151 PolarHBondContact O-N 3.2Å; H1148-D1151 PolarHBondContact O-N 3.47Å; D1151-C1153 VanDerWaalsContact C-N 3.35Å; D1151-C1153 PolarHBondContact O-N 3.05Å; D1151-H1154 WeakPolarHBondContact O-CB 3.35Å; D1151-H1154 PolarHBondContact O-N 2.92Å; D1151-H1154 VanDerWaalsContact O-N 3.15Å; D1151-M1155 PolarHBondContact O-N 3.43Å; D1151-H1173 IonicContact OD2-CD2 2.84Å; D1151-H1173 PolarHBondContact OD2-CD2 2.99Å; D1151-H1173 VanDerWaalsContact OD2-CD2 3.23Å; D1151-H1173 IonicContact OD2-CE1 3.5Å; D1151-H1173 PolarHBondContact OD2-CE1 3.04Å; D1151-H1173 IonicContact OD2-CG 3.87Å; D1151-H1173 IonicContact OD2-NE2 3.84Å; D1151-H1173 PolarHBondContact OD2-NE2 3.27Å
1152	S	96.9	Very high	96.3	Very high	2 Å²	2	3.2 Å²	3.2	1%	0.014	2%	0.017	C	C	.	.	H	α-helix	trans	-57.6	-42.7	170.7	-79.8	0	0	0	0	113.7	G808 R809 H1148 L1150 M1155 M1156 H1173	G808-S1152 VanDerWaalsContact O-CB 3.28Å; G808-S1152 WeakPolarHBondContact O-CB 3.4Å; G808-S1152 PolarHBondContact O-OG 3.33Å; R809-S1152 WeakPolarHBondContact CA-OG 3.38Å; R809-S1152 PolarHBondContact N-OG 2.63Å; R809-S1152 VanDerWaalsContact N-OG 3.12Å; H1148-S1152 WeakPolarHBondContact O-CB 3.43Å; H1148-S1152 PolarHBondContact O-N 3.13Å; H1148-S1152 PolarHBondContact O-OG 3.15Å; L1150-S1152 VanDerWaalsContact C-N 3.31Å; L1150-S1152 PolarHBondContact O-N 2.86Å; S1152-M1155 PolarHBondContact O-N 2.91Å; S1152-M1156 WeakPolarHBondContact O-CB 3.46Å; S1152-M1156 WeakPolarHBondContact O-CG 3.43Å; S1152-M1156 PolarHBondContact O-N 2.85Å; S1152-H1173 PolarHBondContact OG-CE1 3.16Å; S1152-H1173 VanDerWaalsContact OG-CE1 3.28Å
1153	C	97.3	Very high	96.3	Very high	1 Å²	1	3.5 Å²	3.5	1%	0.007	2%	0.019	C	C	.	.	H	α-helix	trans	-62.6	-42	174.8	-81.1	0	0	0	0	112.2	T1078 S1149 L1150 D1151 M1156 L1157 L1197	T1078-C1153 WeakPolarHBondContact CB-SG 3.46Å; T1078-C1153 PolarHBondContact OG1-SG 3.42Å; S1149-C1153 PolarHBondContact O-N 3.13Å; S1149-C1153 VanDerWaalsContact O-N 3.1Å; S1149-C1153 PolarHBondContact O-SG 3.17Å; L1150-C1153 WeakPolarHBondContact O-CB 3.45Å; L1150-C1153 PolarHBondContact O-N 3.34Å; L1150-C1153 VanDerWaalsContact O-N 3.12Å; D1151-C1153 VanDerWaalsContact C-N 3.35Å; D1151-C1153 PolarHBondContact O-N 3.05Å; C1153-M1156 PolarHBondContact O-N 3.14Å; C1153-L1157 VanDerWaalsContact O-CB 3.32Å; C1153-L1157 WeakPolarHBondContact O-CB 3.46Å; C1153-L1157 VanDerWaalsContact O-CG 3.29Å; C1153-L1157 WeakPolarHBondContact O-CG 3.49Å; C1153-L1157 PolarHBondContact O-N 3.17Å; C1153-L1197 HydrophobicContact CB-CD1 4.03Å; C1153-L1197 HydrophobicContact CB-CD2 4.2Å
1154	H	97.5	Very high	96.4	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-61.7	-45.9	177.7	178.7	-139.5	0	0	0	111.7	L1150 D1151 M1156 L1157 T1158 F1176 C1190 F1194 L1197 F1260 F1261	L1150-H1154 PolarHBondContact O-N 3.42Å; D1151-H1154 WeakPolarHBondContact O-CB 3.35Å; D1151-H1154 PolarHBondContact O-N 2.92Å; D1151-H1154 VanDerWaalsContact O-N 3.15Å; H1154-M1156 PolarHBondContact O-N 3.45Å; H1154-L1157 PolarHBondContact O-N 3.41Å; H1154-T1158 WeakPolarHBondContact O-CB 3.4Å; H1154-T1158 PolarHBondContact O-N 3.08Å; H1154-T1158 PolarHBondContact O-OG1 3.21Å; H1154-F1176 AromaticContact CE1-CE2 3.86Å; H1154-C1190 PolarHBondContact NE2-O 3.41Å; H1154-F1194 PolarHBondContact CD2-N 2.82Å; H1154-F1194 AromaticContact CE1-CD2 4Å; H1154-F1194 AromaticContact ND1-CD2 3.99Å; H1154-L1197 HydrophobicContact CB-CD2 3.93Å; H1154-F1260 AromaticContact CE1-CZ 3.98Å; H1154-F1261 AromaticContact CE1-CE2 3.95Å; H1154-F1261 AromaticContact CE1-CZ 3.84Å
1155	M	97.8	Very high	96.6	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-58.4	-45.6	172.9	175.8	-163.6	69.7	0	0	112.3	L709 V810 D1151 S1152 T1158 G1159 F1169 S1171 F1176	L709-M1155 HydrophobicContact CD1-CE 4.1Å; L709-M1155 HydrophobicContact CD1-SD 4.3Å; V810-M1155 HydrophobicContact CB-CE 3.74Å; V810-M1155 HydrophobicContact CB-SD 4.49Å; V810-M1155 HydrophobicContact CG2-CE 3.43Å; V810-M1155 VanDerWaalsContact CG2-CE 3.43Å; D1151-M1155 PolarHBondContact O-N 3.43Å; S1152-M1155 PolarHBondContact O-N 2.91Å; M1155-T1158 PolarHBondContact O-N 3.4Å; M1155-G1159 PolarHBondContact O-N 3.37Å; M1155-F1169 HydrophobicContact CG-CE1 4.47Å; M1155-F1169 HydrophobicContact CG-CZ 4.34Å; M1155-S1171 PolarHBondContact SD-OG 2.57Å; M1155-F1176 HydrophobicContact CB-CE1 3.63Å; M1155-F1176 HydrophobicContact CB-CZ 3.86Å; M1155-F1176 HydrophobicContact CG-CD1 4.45Å; M1155-F1176 HydrophobicContact CG-CE1 3.69Å; M1155-F1176 HydrophobicContact CG-CZ 4.39Å
1156	M	97.9	Very high	96.6	Very high	3 Å²	3	6.1 Å²	6.1	2%	0.015	3%	0.033	C	C	.	.	H	α-helix	trans	-64.3	-45.7	-178.9	-72.6	172.1	-172.7	0	0	111.7	V702 A705 L706 M804 G808 V810 L1080 S1152 C1153 H1154 G1159 L1160	V702-M1156 HydrophobicContact CB-SD 4.4Å; V702-M1156 HydrophobicContact CG1-CE 3.94Å; V702-M1156 HydrophobicContact CG1-SD 3.93Å; V702-M1156 HydrophobicContact CG2-SD 4.26Å; A705-M1156 HydrophobicContact CB-CB 3.57Å; A705-M1156 HydrophobicContact CB-CG 3.65Å; L706-M1156 HydrophobicContact CD1-CE 3.97Å; M804-M1156 HydrophobicContact SD-CE 3.93Å; G808-M1156 VanDerWaalsContact O-CE 3.32Å; G808-M1156 WeakPolarHBondContact O-CE 3.36Å; V810-M1156 HydrophobicContact CG2-CE 4.04Å; L1080-M1156 HydrophobicContact CD2-CB 3.72Å; L1080-M1156 HydrophobicContact CD2-CG 4.42Å; L1080-M1156 HydrophobicContact CD2-SD 3.89Å; S1152-M1156 WeakPolarHBondContact O-CB 3.46Å; S1152-M1156 WeakPolarHBondContact O-CG 3.43Å; S1152-M1156 PolarHBondContact O-N 2.85Å; C1153-M1156 PolarHBondContact O-N 3.14Å; H1154-M1156 PolarHBondContact O-N 3.45Å; M1156-G1159 PolarHBondContact O-N 3.19Å; M1156-L1160 VanDerWaalsContact O-CG 3.26Å; M1156-L1160 WeakPolarHBondContact O-CG 3.23Å; M1156-L1160 PolarHBondContact O-N 3.27Å
1157	L	97.8	Very high	96.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-59.7	-47.4	176.1	-79.1	172.5	0	0	0	111.7	A343 Q344 L347 L1080 C1153 H1154 G1159 L1160 Q1161 E1193 L1197	A343-L1157 HydrophobicContact CB-CD1 4.44Å; Q344-L1157 HydrophobicContact CB-CD2 4.08Å; L347-L1157 HydrophobicContact CD1-CD2 3.86Å; L1080-L1157 HydrophobicContact CD1-CD2 3.84Å; L1080-L1157 HydrophobicContact CD1-CG 4.36Å; C1153-L1157 VanDerWaalsContact O-CB 3.32Å; C1153-L1157 WeakPolarHBondContact O-CB 3.46Å; C1153-L1157 VanDerWaalsContact O-CG 3.29Å; C1153-L1157 WeakPolarHBondContact O-CG 3.49Å; C1153-L1157 PolarHBondContact O-N 3.17Å; H1154-L1157 PolarHBondContact O-N 3.41Å; L1157-G1159 PolarHBondContact O-N 2.9Å; L1157-L1160 PolarHBondContact O-N 3.46Å; L1157-Q1161 PolarHBondContact O-N 3.09Å; L1157-E1193 HydrophobicContact CB-CB 3.98Å; L1157-E1193 HydrophobicContact CB-CG 4.09Å; L1157-E1193 WeakPolarHBondContact CB-OE2 3.23Å; L1157-L1197 HydrophobicContact CD1-CB 4.11Å; L1157-L1197 HydrophobicContact CD1-CD1 4.46Å
1158	T	97.7	Very high	96.7	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-56.2	-48.9	175.6	-58.5	0	0	0	0	111	H1154 M1155 L1160 Q1161 C1162 F1169 F1176 L1186 I1189	H1154-T1158 WeakPolarHBondContact O-CB 3.4Å; H1154-T1158 PolarHBondContact O-N 3.08Å; H1154-T1158 PolarHBondContact O-OG1 3.21Å; M1155-T1158 PolarHBondContact O-N 3.4Å; T1158-L1160 PolarHBondContact O-N 3.03Å; T1158-Q1161 PolarHBondContact O-N 3.33Å; T1158-C1162 WeakPolarHBondContact O-CB 3.43Å; T1158-C1162 PolarHBondContact O-N 3.39Å; T1158-C1162 PolarHBondContact O-SG 3.06Å; T1158-F1169 HydrophobicContact CG2-CD2 4.34Å; T1158-F1169 HydrophobicContact CG2-CE2 3.55Å; T1158-F1169 HydrophobicContact CG2-CZ 3.97Å; T1158-F1176 HydrophobicContact CG2-CD2 3.97Å; T1158-F1176 HydrophobicContact CG2-CE2 4.06Å; T1158-L1186 HydrophobicContact CG2-CD1 3.9Å; T1158-I1189 HydrophobicContact CG2-CG2 3.87Å
1159	G	97.1	Very high	96.9	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.01	3%	0.032	C	C	.	.	H	α-helix	trans	-62.9	-38.9	178.4	0	0	0	0	0	113.6	C708 M1155 M1156 L1157 C1162 L1163 F1169	C708-G1159 PolarHBondContact SG-O 3.21Å; C708-G1159 VanDerWaalsContact SG-O 3.41Å; M1155-G1159 PolarHBondContact O-N 3.37Å; M1156-G1159 PolarHBondContact O-N 3.19Å; L1157-G1159 PolarHBondContact O-N 2.9Å; G1159-C1162 PolarHBondContact O-N 3.36Å; G1159-L1163 PolarHBondContact O-N 3.18Å; G1159-F1169 VanDerWaalsContact CA-CE1 3.43Å
1160	L	96.7	Very high	96.9	Very high	19 Å²	19	5.7 Å²	5.7	10%	0.099	3%	0.032	C	C	.	.	H	α-helix	trans	-64.6	-42.6	175.4	-70	169.8	0	0	0	111.8	L347 D704 A705 M1156 L1157 T1158 L1163 K1164	L347-L1160 HydrophobicContact CD1-CB 4.05Å; L347-L1160 HydrophobicContact CD1-CD1 4.46Å; D704-L1160 HydrophobicContact CB-CD2 3.74Å; A705-L1160 HydrophobicContact CB-CD1 4.4Å; A705-L1160 HydrophobicContact CB-CD2 4.33Å; A705-L1160 HydrophobicContact CB-CG 4.11Å; M1156-L1160 VanDerWaalsContact O-CG 3.26Å; M1156-L1160 WeakPolarHBondContact O-CG 3.23Å; M1156-L1160 PolarHBondContact O-N 3.27Å; L1157-L1160 PolarHBondContact O-N 3.46Å; T1158-L1160 PolarHBondContact O-N 3.03Å; L1160-L1163 PolarHBondContact O-N 3.36Å; L1160-K1164 WeakPolarHBondContact O-CG 3.35Å; L1160-K1164 PolarHBondContact O-N 3.34Å; L1160-K1164 VanDerWaalsContact O-N 3.15Å
1161	Q	97.2	Very high	96.8	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-66.9	-43.4	176	-164.8	175.8	-1.4	0	0	111.7	L347 L1157 T1158 L1163 K1164 E1165 I1189 E1192 E1193	L347-Q1161 HydrophobicContact CD2-CB 3.75Å; L347-Q1161 HydrophobicContact CD2-CG 3.95Å; L1157-Q1161 PolarHBondContact O-N 3.09Å; T1158-Q1161 PolarHBondContact O-N 3.33Å; Q1161-L1163 PolarHBondContact O-N 3.1Å; Q1161-K1164 WeakPolarHBondContact O-CA 3.5Å; Q1161-K1164 WeakPolarHBondContact O-CB 3.5Å; Q1161-K1164 PolarHBondContact O-N 3.22Å; Q1161-E1165 PolarHBondContact NE2-OE1 2.76Å; Q1161-E1165 PolarHBondContact O-N 2.78Å; Q1161-I1189 HydrophobicContact CB-CG2 3.8Å; Q1161-I1189 HydrophobicContact CG-CD1 4.35Å; Q1161-I1189 HydrophobicContact CG-CG1 4.16Å; Q1161-I1189 HydrophobicContact CG-CG2 4.15Å; Q1161-E1192 PolarHBondContact NE2-OE2 3.04Å; Q1161-E1193 HydrophobicContact CB-CG 4.41Å; Q1161-E1193 PolarHBondContact OE1-OE1 2.7Å
1162	C	97.6	Very high	96.7	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-55.4	-41.3	175.1	-73.1	0	0	0	0	111.9	T1158 G1159 E1165 G1166 I1167 F1169	T1158-C1162 WeakPolarHBondContact O-CB 3.43Å; T1158-C1162 PolarHBondContact O-N 3.39Å; T1158-C1162 PolarHBondContact O-SG 3.06Å; G1159-C1162 PolarHBondContact O-N 3.36Å; C1162-E1165 CarbonylContact O-C 3.6Å; C1162-E1165 PolarHBondContact O-N 3.13Å; C1162-G1166 PolarHBondContact O-N 2.72Å; C1162-I1167 HydrophobicContact CB-CB 4.09Å; C1162-I1167 HydrophobicContact CB-CG2 4.45Å; C1162-I1167 PolarHBondContact O-N 3.24Å; C1162-F1169 HydrophobicContact CB-CB 3.8Å; C1162-F1169 HydrophobicContact CB-CD2 4.4Å; C1162-F1169 HydrophobicContact CB-CG 4.26Å
1163	L	96	Very high	96.4	Very high	5 Å²	5	6.5 Å²	6.5	3%	0.026	4%	0.037	C	C	.	.	H	α-helix	trans	-63.2	-42.8	174.9	-176.5	62.3	0	0	0	112.1	P357 M525 F530 G1159 L1160 Q1161 E1165 G1166	P357-L1163 HydrophobicContact CG-CD1 4.09Å; M525-L1163 HydrophobicContact CE-CD1 3.98Å; M525-L1163 HydrophobicContact CE-CD2 4.44Å; M525-L1163 HydrophobicContact CE-CG 4.33Å; M525-L1163 HydrophobicContact SD-CD1 4.03Å; F530-L1163 HydrophobicContact CD2-CD2 4.46Å; F530-L1163 HydrophobicContact CE2-CD1 3.84Å; F530-L1163 HydrophobicContact CE2-CD2 4.08Å; F530-L1163 HydrophobicContact CZ-CD1 3.86Å; G1159-L1163 PolarHBondContact O-N 3.18Å; L1160-L1163 PolarHBondContact O-N 3.36Å; Q1161-L1163 PolarHBondContact O-N 3.1Å; L1163-E1165 PolarHBondContact O-N 2.76Å; L1163-G1166 PolarHBondContact O-N 3.17Å
1164	K	95.4	Very high	96.1	Very high	39 Å²	39	8.2 Å²	8.2	17%	0.17	5%	0.046	C	C	.	.	H	α-helix	trans	-60.7	-35	176.8	-70.8	-170.6	175.7	-169.9	0	112.2	L347 V350 E353 L1160 Q1161	L347-K1164 PolarHBondContact O-NZ 3.34Å; V350-K1164 HydrophobicContact CB-CD 4.42Å; V350-K1164 HydrophobicContact CG1-CD 4.45Å; E353-K1164 WeakPolarHBondContact CB-O 3.47Å; E353-K1164 PolarHBondContact N-O 2.79Å; L1160-K1164 WeakPolarHBondContact O-CG 3.35Å; L1160-K1164 PolarHBondContact O-N 3.34Å; L1160-K1164 VanDerWaalsContact O-N 3.15Å; Q1161-K1164 WeakPolarHBondContact O-CA 3.5Å; Q1161-K1164 WeakPolarHBondContact O-CB 3.5Å; Q1161-K1164 PolarHBondContact O-N 3.22Å
1165	E	95.9	Very high	96	Very high	17 Å²	17	8.6 Å²	8.6	8%	0.079	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	8.8	179.6	-63.9	-168.4	-155.1	0	0	114.1	Q1161 C1162 L1163 I1167 R1188	Q1161-E1165 PolarHBondContact NE2-OE1 2.76Å; Q1161-E1165 PolarHBondContact O-N 2.78Å; C1162-E1165 CarbonylContact O-C 3.6Å; C1162-E1165 PolarHBondContact O-N 3.13Å; L1163-E1165 PolarHBondContact O-N 2.76Å; E1165-I1167 VanDerWaalsContact C-N 3.32Å; E1165-I1167 HydrophobicContact CB-CD1 4Å; E1165-I1167 HydrophobicContact CB-CG1 4.22Å; E1165-I1167 PolarHBondContact O-N 3.31Å; E1165-R1188 IonicContact OE1-CZ 2.7Å; E1165-R1188 IonicContact OE1-NH1 3.97Å; E1165-R1188 IonicContact OE1-NH2 3.03Å; E1165-R1188 PolarHBondContact OE1-NH2 2.63Å; E1165-R1188 IonicContact OE2-CZ 2.7Å; E1165-R1188 IonicContact OE2-NH2 3.97Å; E1165-R1188 PolarHBondContact OE2-NH2 3.07Å
1166	G	95.6	Very high	95.9	Very high	14 Å²	14	8.6 Å²	8.6	14%	0.144	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	31	176.1	0	0	0	0	0	114.6	K355 C1162 L1163	K355-G1166 VanDerWaalsContact O-CA 3.3Å; K355-G1166 WeakPolarHBondContact O-CA 3.42Å; C1162-G1166 PolarHBondContact O-N 2.72Å; L1163-G1166 PolarHBondContact O-N 3.17Å
1167	I	95.7	Very high	95.9	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.021	5%	0.048	C	C	.	.			trans	-100.8	135.5	-179.5	-60	169.9	0	0	0	109.8	C1162 E1165 F1169 T1178 K1185 I1189	C1162-I1167 HydrophobicContact CB-CB 4.09Å; C1162-I1167 HydrophobicContact CB-CG2 4.45Å; C1162-I1167 PolarHBondContact O-N 3.24Å; E1165-I1167 VanDerWaalsContact C-N 3.32Å; E1165-I1167 HydrophobicContact CB-CD1 4Å; E1165-I1167 HydrophobicContact CB-CG1 4.22Å; E1165-I1167 PolarHBondContact O-N 3.31Å; I1167-F1169 PolarHBondContact O-N 3.26Å; I1167-T1178 VanDerWaalsContact CG2-OG1 3.27Å; I1167-T1178 WeakPolarHBondContact CG2-OG1 2.97Å; I1167-K1185 HydrophobicContact CD1-CB 3.6Å; I1167-K1185 HydrophobicContact CD1-CD 3.79Å; I1167-K1185 HydrophobicContact CD1-CG 4.38Å; I1167-K1185 HydrophobicContact CG1-CD 4.4Å; I1167-I1189 HydrophobicContact CD1-CD1 3.64Å
1168	V	97.1	Very high	95.9	Very high	10 Å²	10	8.4 Å²	8.4	6%	0.061	5%	0.048	C	C	.	.			trans	-67.2	127.4	170.3	171.2	0	0	0	0	108.9	P357 Y358 F831 T1178	P357-V1168 HydrophobicContact CB-CG2 4Å; Y358-V1168 HydrophobicContact CD1-CG2 4.29Å; Y358-V1168 HydrophobicContact CE1-CB 4.35Å; Y358-V1168 HydrophobicContact CE1-CG1 4.12Å; Y358-V1168 HydrophobicContact CE1-CG2 3.9Å; F831-V1168 HydrophobicContact CD1-CG1 3.97Å; F831-V1168 HydrophobicContact CD2-CG1 4.43Å; F831-V1168 HydrophobicContact CE1-CG1 3.7Å; F831-V1168 HydrophobicContact CE2-CG1 4.16Å; F831-V1168 HydrophobicContact CG-CG1 4.34Å; F831-V1168 HydrophobicContact CZ-CG1 3.79Å; V1168-T1178 VanDerWaalsContact O-CB 3.29Å; V1168-T1178 WeakPolarHBondContact O-CB 3.25Å; V1168-T1178 PolarHBondContact O-OG1 2.75Å
1169	F	97.5	Very high	96	Very high	1 Å²	1	8.7 Å²	8.7	0%	0.004	5%	0.049	C	C	.	.			trans	-130.8	128.5	-179.4	-178.6	-104.3	0	0	0	110.7	L709 M1155 T1158 G1159 C1162 I1167 F1176 L1186	L709-F1169 HydrophobicContact CD2-CD1 3.71Å; L709-F1169 HydrophobicContact CD2-CE1 3.64Å; L709-F1169 HydrophobicContact CG-CE1 4.44Å; M1155-F1169 HydrophobicContact CG-CE1 4.47Å; M1155-F1169 HydrophobicContact CG-CZ 4.34Å; T1158-F1169 HydrophobicContact CG2-CD2 4.34Å; T1158-F1169 HydrophobicContact CG2-CE2 3.55Å; T1158-F1169 HydrophobicContact CG2-CZ 3.97Å; G1159-F1169 VanDerWaalsContact CA-CE1 3.43Å; C1162-F1169 HydrophobicContact CB-CB 3.8Å; C1162-F1169 HydrophobicContact CB-CD2 4.4Å; C1162-F1169 HydrophobicContact CB-CG 4.26Å; I1167-F1169 PolarHBondContact O-N 3.26Å; F1169-F1176 HydrophobicContact CE2-CB 3.86Å; F1169-F1176 HydrophobicContact CE2-CD1 4.11Å; F1169-F1176 HydrophobicContact CE2-CD2 4.4Å; F1169-F1176 AromaticContact CE2-CG 3.87Å; F1169-F1176 HydrophobicContact CE2-CG 3.87Å; F1169-F1176 HydrophobicContact CZ-CB 4.49Å; F1169-F1176 AromaticContact CZ-CD1 3.9Å; F1169-F1176 HydrophobicContact CZ-CD1 3.9Å; F1169-F1176 HydrophobicContact CZ-CE1 4.31Å; F1169-F1176 HydrophobicContact CZ-CG 4.12Å; F1169-L1186 HydrophobicContact CD2-CD1 4.15Å; F1169-L1186 HydrophobicContact CE2-CD1 4.16Å
1170	A	97.2	Very high	96	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.008	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	162	165.9	0	0	0	0	0	109	W714 F831 W1177	W714-A1170 HydrophobicContact CH2-CB 3.59Å; W714-A1170 HydrophobicContact CZ2-CB 3.6Å; F831-A1170 HydrophobicContact CE1-CB 4.15Å; A1170-W1177 HydrophobicContact CB-CB 4.21Å; A1170-W1177 PolarHBondContact N-O 3.17Å; A1170-W1177 PolarHBondContact O-N 3.18Å
1171	S	96.1	Very high	96.1	Very high	6 Å²	6	9.6 Å²	9.6	4%	0.042	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	155.3	177.8	71.5	0	0	0	0	113	L709 H819 M1155 C1175	L709-S1171 WeakPolarHBondContact CD2-OG 3.15Å; H819-S1171 PolarHBondContact NE2-O 3.22Å; H819-S1171 VanDerWaalsContact NE2-O 3.11Å; M1155-S1171 PolarHBondContact SD-OG 2.57Å; S1171-C1175 CarbonylContact C-O 3.54Å; S1171-C1175 VanDerWaalsContact CA-O 3.3Å; S1171-C1175 WeakPolarHBondContact CA-O 3.46Å
1172	V	93.5	Very high	96.1	Very high	12 Å²	12	10.4 Å²	10.4	7%	0.073	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	69.6	157.2	-170.8	0	0	0	0	107.6	T820 D1174 C1175 W1177	T820-V1172 HydrophobicContact CG2-CG1 4.34Å; T820-V1172 HydrophobicContact CG2-CG2 4.22Å; V1172-D1174 VanDerWaalsContact C-N 3.34Å; V1172-D1174 PolarHBondContact O-N 2.71Å; V1172-C1175 HydrophobicContact CB-CB 4.43Å; V1172-C1175 PolarHBondContact N-O 3.28Å; V1172-C1175 PolarHBondContact O-N 3.42Å; V1172-W1177 HydrophobicContact CG2-CH2 4.08Å; V1172-W1177 HydrophobicContact CG2-CZ2 3.39Å
1173	H	90.8	Very high	96.1	Very high	3 Å²	3	10.4 Å²	10.4	1%	0.014	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	-77.8	-177.2	-170.3	51.4	0	0	0	115.7	R809 H1148 D1151 S1152 F1176	R809-H1173 HydrophobicContact CG-CB 4.07Å; R809-H1173 PolarHBondContact NH1-CD2 3.02Å; H1148-H1173 AromaticContact CD2-NE2 3.77Å; D1151-H1173 IonicContact OD2-CD2 2.84Å; D1151-H1173 PolarHBondContact OD2-CD2 2.99Å; D1151-H1173 VanDerWaalsContact OD2-CD2 3.23Å; D1151-H1173 IonicContact OD2-CE1 3.5Å; D1151-H1173 PolarHBondContact OD2-CE1 3.04Å; D1151-H1173 IonicContact OD2-CG 3.87Å; D1151-H1173 IonicContact OD2-NE2 3.84Å; D1151-H1173 PolarHBondContact OD2-NE2 3.27Å; S1152-H1173 PolarHBondContact OG-CE1 3.16Å; S1152-H1173 VanDerWaalsContact OG-CE1 3.28Å; H1173-F1176 WeakPolarHBondContact O-CE1 3.44Å
1174	D	90	Very high	96.1	Very high	36 Å²	36	13.4 Å²	13.4	19%	0.193	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-0.6	-176.5	50.5	-23.5	0	0	0	113.3	G928 N931 V1172 F1261	G928-D1174 PolarHBondContact N-O 3.12Å; N931-D1174 HydrophobicContact CB-CB 4.07Å; V1172-D1174 VanDerWaalsContact C-N 3.34Å; V1172-D1174 PolarHBondContact O-N 2.71Å; D1174-F1261 WeakPolarHBondContact O-CE1 3.48Å
1175	C	94.6	Very high	96.2	Very high	8 Å²	8	15.7 Å²	15.7	5%	0.054	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	117.7	177	-177.9	0	0	0	0	109.6	Q926 S1171 V1172 W1177	Q926-C1175 WeakPolarHBondContact O-CA 3.46Å; S1171-C1175 CarbonylContact C-O 3.54Å; S1171-C1175 VanDerWaalsContact CA-O 3.3Å; S1171-C1175 WeakPolarHBondContact CA-O 3.46Å; V1172-C1175 HydrophobicContact CB-CB 4.43Å; V1172-C1175 PolarHBondContact N-O 3.28Å; V1172-C1175 PolarHBondContact O-N 3.42Å; C1175-W1177 PolarHBondContact SG-NE1 2.79Å
1176	F	97.5	Very high	96.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.6	-171.6	-59.6	-24.7	0	0	0	112	Q926 H1154 M1155 T1158 F1169 H1173 L1186 C1190 F1261	Q926-F1176 PolarHBondContact N-O 3.39Å; Q926-F1176 PolarHBondContact O-N 2.98Å; H1154-F1176 AromaticContact CE1-CE2 3.86Å; M1155-F1176 HydrophobicContact CB-CE1 3.63Å; M1155-F1176 HydrophobicContact CB-CZ 3.86Å; M1155-F1176 HydrophobicContact CG-CD1 4.45Å; M1155-F1176 HydrophobicContact CG-CE1 3.69Å; M1155-F1176 HydrophobicContact CG-CZ 4.39Å; T1158-F1176 HydrophobicContact CG2-CD2 3.97Å; T1158-F1176 HydrophobicContact CG2-CE2 4.06Å; F1169-F1176 HydrophobicContact CE2-CB 3.86Å; F1169-F1176 HydrophobicContact CE2-CD1 4.11Å; F1169-F1176 HydrophobicContact CE2-CD2 4.4Å; F1169-F1176 AromaticContact CE2-CG 3.87Å; F1169-F1176 HydrophobicContact CE2-CG 3.87Å; F1169-F1176 HydrophobicContact CZ-CB 4.49Å; F1169-F1176 AromaticContact CZ-CD1 3.9Å; F1169-F1176 HydrophobicContact CZ-CD1 3.9Å; F1169-F1176 HydrophobicContact CZ-CE1 4.31Å; F1169-F1176 HydrophobicContact CZ-CG 4.12Å; H1173-F1176 WeakPolarHBondContact O-CE1 3.44Å; F1176-L1186 HydrophobicContact CB-CD1 4.41Å; F1176-L1186 HydrophobicContact CB-CD2 4.1Å; F1176-C1190 VanDerWaalsContact CD2-SG 3.55Å; F1176-F1261 AromaticContact CD2-CD1 3.97Å; F1176-F1261 HydrophobicContact CD2-CD1 3.97Å; F1176-F1261 AromaticContact CD2-CE1 3.44Å; F1176-F1261 HydrophobicContact CD2-CE1 3.44Å; F1176-F1261 VanDerWaalsContact CD2-CE1 3.44Å; F1176-F1261 HydrophobicContact CD2-CZ 4.18Å; F1176-F1261 HydrophobicContact CE2-CD1 4.35Å; F1176-F1261 AromaticContact CE2-CE1 3.45Å; F1176-F1261 HydrophobicContact CE2-CE1 3.45Å; F1176-F1261 VanDerWaalsContact CE2-CE1 3.45Å; F1176-F1261 AromaticContact CE2-CZ 3.73Å; F1176-F1261 HydrophobicContact CE2-CZ 3.73Å; F1176-F1261 HydrophobicContact CG-CE1 4.08Å; F1176-F1261 HydrophobicContact CZ-CE1 4.09Å; F1176-F1261 HydrophobicContact CZ-CZ 4.24Å
1177	W	97.2	Very high	96.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139	-168	-55.6	1.1	0	0	0	110.8	W714 H819 R826 F831 P923 V924 H925 A1170 V1172 C1175	W714-W1177 AromaticContact CH2-CE3 3.98Å; W714-W1177 HydrophobicContact CH2-CE3 3.98Å; W714-W1177 HydrophobicContact CH2-CZ3 4.16Å; W714-W1177 HydrophobicContact CZ3-CE3 4.41Å; W714-W1177 HydrophobicContact CZ3-CZ3 4.4Å; H819-W1177 HydrophobicContact CB-CH2 4.21Å; H819-W1177 HydrophobicContact CB-CZ3 3.95Å; H819-W1177 AromaticContact CD2-CZ3 3.92Å; H819-W1177 WeakPolarHBondContact O-CH2 3.24Å; R826-W1177 HydrophobicContact CB-CH2 4.42Å; R826-W1177 HydrophobicContact CG-CH2 4.03Å; R826-W1177 HydrophobicContact CG-CZ2 4.45Å; F831-W1177 HydrophobicContact CZ-CB 4.44Å; P923-W1177 HydrophobicContact CB-CD2 4.5Å; P923-W1177 HydrophobicContact CB-CE3 3.85Å; P923-W1177 HydrophobicContact CB-CZ3 4.46Å; P923-W1177 HydrophobicContact CG-CE3 4.27Å; P923-W1177 HydrophobicContact CG-CZ3 4.4Å; V924-W1177 WeakPolarHBondContact O-CA 3.42Å; H925-W1177 AromaticContact CD2-CD1 3.41Å; H925-W1177 VanDerWaalsContact CD2-CD1 3.41Å; H925-W1177 AromaticContact CD2-CD2 3.32Å; H925-W1177 AromaticContact CD2-CE2 3.27Å; H925-W1177 AromaticContact CD2-CE3 3.92Å; H925-W1177 AromaticContact CD2-CG 3.46Å; H925-W1177 VanDerWaalsContact CD2-CG 3.46Å; H925-W1177 AromaticContact CD2-CZ2 3.86Å; H925-W1177 AromaticContact CD2-NE1 3.35Å; H925-W1177 PolarHBondContact CD2-NE1 2.83Å; H925-W1177 VanDerWaalsContact CD2-NE1 3.35Å; H925-W1177 AromaticContact CE1-CE2 3.86Å; H925-W1177 AromaticContact CE1-CH2 4Å; H925-W1177 AromaticContact CE1-CZ2 3.65Å; H925-W1177 AromaticContact CG-CD1 3.7Å; H925-W1177 AromaticContact CG-CE2 3.73Å; H925-W1177 AromaticContact CG-NE1 3.44Å; H925-W1177 AromaticContact NE2-CD2 3.52Å; H925-W1177 AromaticContact NE2-CE2 3.37Å; H925-W1177 AromaticContact NE2-CE3 3.7Å; H925-W1177 AromaticContact NE2-CH2 3.64Å; H925-W1177 AromaticContact NE2-CZ2 3.45Å; H925-W1177 WeakPolarHBondContact NE2-CZ2 3.29Å; H925-W1177 AromaticContact NE2-CZ3 3.75Å; H925-W1177 AromaticContact NE2-NE1 3.91Å; A1170-W1177 HydrophobicContact CB-CB 4.21Å; A1170-W1177 PolarHBondContact N-O 3.17Å; A1170-W1177 PolarHBondContact O-N 3.18Å; V1172-W1177 HydrophobicContact CG2-CH2 4.08Å; V1172-W1177 HydrophobicContact CG2-CZ2 3.39Å; C1175-W1177 PolarHBondContact SG-NE1 2.79Å
1178	T	98.1	Very high	96.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	-178.2	173.8	-165.3	0	0	0	0	110.3	V924 I1167 V1168 T1182 V1183 L1186	V924-T1178 PolarHBondContact N-O 3.28Å; V924-T1178 PolarHBondContact O-N 3.02Å; I1167-T1178 VanDerWaalsContact CG2-OG1 3.27Å; I1167-T1178 WeakPolarHBondContact CG2-OG1 2.97Å; V1168-T1178 VanDerWaalsContact O-CB 3.29Å; V1168-T1178 WeakPolarHBondContact O-CB 3.25Å; V1168-T1178 PolarHBondContact O-OG1 2.75Å; T1178-T1182 PolarHBondContact OG1-OG1 2.77Å; T1178-V1183 HydrophobicContact CG2-CG2 3.99Å; T1178-L1186 HydrophobicContact CG2-CB 3.87Å; T1178-L1186 HydrophobicContact CG2-CD2 3.53Å; T1178-L1186 HydrophobicContact CG2-CG 4.32Å
1179	H	98.5	Very high	96.4	Very high	6 Å²	6	17.7 Å²	17.7	3%	0.028	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	148.5	171	-71.4	-74.2	0	0	0	110.8	F831 K833 L835 S920 A1181 T1182 V1183	F831-H1179 AromaticContact CD2-CE1 3.5Å; F831-H1179 VanDerWaalsContact CD2-CE1 3.5Å; F831-H1179 WeakPolarHBondContact CD2-CE1 3.41Å; F831-H1179 AromaticContact CD2-ND1 3.8Å; F831-H1179 AromaticContact CD2-NE2 3.89Å; K833-H1179 PolarHBondContact O-CE1 3.34Å; K833-H1179 PolarHBondContact O-NE2 2.78Å; L835-H1179 HydrophobicContact CB-CB 4.1Å; L835-H1179 HydrophobicContact CD2-CB 3.85Å; S920-H1179 PolarHBondContact O-ND1 3.29Å; H1179-A1181 PolarHBondContact O-N 2.7Å; H1179-A1181 VanDerWaalsContact O-N 3.11Å; H1179-T1182 PolarHBondContact O-N 2.99Å; H1179-T1182 PolarHBondContact O-OG1 2.7Å; H1179-T1182 VanDerWaalsContact O-OG1 3.07Å; H1179-V1183 PolarHBondContact O-N 3.35Å
1180	A	98.2	Very high	96.4	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.008	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-51.1	-39.4	177.7	0	0	0	0	0	113.2	L837 G841 W844 L845 V924 T1182 V1183	L837-A1180 HydrophobicContact CD2-CB 3.79Å; G841-A1180 WeakPolarHBondContact O-CB 3.46Å; W844-A1180 HydrophobicContact CB-CB 4.22Å; L845-A1180 HydrophobicContact CD2-CB 4.15Å; L845-A1180 HydrophobicContact CG-CB 4.07Å; V924-A1180 HydrophobicContact CG2-CB 3.68Å; A1180-T1182 PolarHBondContact O-N 2.76Å; A1180-V1183 PolarHBondContact O-N 3.41Å
1181	A	98	Very high	96.4	Very high	37 Å²	37	19.3 Å²	19.3	31%	0.306	10%	0.097	S	C	.	.	G	3₁₀ helix	trans	-65.3	-16.3	178.9	0	0	0	0	0	115	L835 P836 L837 H1179	L835-A1181 HydrophobicContact CD2-CB 3.92Å; L835-A1181 HydrophobicContact CG-CB 4.43Å; P836-A1181 VanDerWaalsContact O-CB 3.27Å; P836-A1181 WeakPolarHBondContact O-CB 3.4Å; L837-A1181 WeakPolarHBondContact O-CA 3.5Å; L837-A1181 WeakPolarHBondContact O-CB 3.26Å; H1179-A1181 PolarHBondContact O-N 2.7Å; H1179-A1181 VanDerWaalsContact O-N 3.11Å
1182	T	97.7	Very high	96.4	Very high	19 Å²	19	21.4 Å²	21.4	12%	0.117	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-116.4	8.2	-176.1	48.8	0	0	0	0	113.4	L835 T1178 H1179 A1180 D1184 K1185 L1186	L835-T1182 HydrophobicContact CD2-CG2 3.93Å; T1178-T1182 PolarHBondContact OG1-OG1 2.77Å; H1179-T1182 PolarHBondContact O-N 2.99Å; H1179-T1182 PolarHBondContact O-OG1 2.7Å; H1179-T1182 VanDerWaalsContact O-OG1 3.07Å; A1180-T1182 PolarHBondContact O-N 2.76Å; T1182-D1184 PolarHBondContact O-N 3.03Å; T1182-K1185 PolarHBondContact O-N 3.29Å; T1182-L1186 PolarHBondContact O-N 3.15Å
1183	V	97.8	Very high	96.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-41.6	179.4	174.9	0	0	0	0	111.9	W844 V924 Q926 T1178 H1179 A1180 K1185 L1186 N1187	W844-V1183 HydrophobicContact CB-CG2 4.29Å; W844-V1183 HydrophobicContact CD2-CB 3.76Å; W844-V1183 HydrophobicContact CD2-CG1 3.45Å; W844-V1183 VanDerWaalsContact CD2-CG1 3.45Å; W844-V1183 HydrophobicContact CD2-CG2 4.34Å; W844-V1183 HydrophobicContact CE3-CB 4.33Å; W844-V1183 HydrophobicContact CE3-CG1 3.58Å; W844-V1183 HydrophobicContact CG-CB 3.81Å; W844-V1183 HydrophobicContact CG-CG1 4.06Å; W844-V1183 HydrophobicContact CG-CG2 4.12Å; W844-V1183 HydrophobicContact CH2-CG1 3.89Å; W844-V1183 HydrophobicContact CZ2-CB 4.49Å; W844-V1183 HydrophobicContact CZ2-CG1 3.77Å; W844-V1183 HydrophobicContact CZ3-CG1 3.79Å; V924-V1183 HydrophobicContact CB-CG2 3.89Å; V924-V1183 HydrophobicContact CG1-CG2 3.67Å; Q926-V1183 VanDerWaalsContact CD-CG1 3.45Å; Q926-V1183 HydrophobicContact CG-CG1 4Å; T1178-V1183 HydrophobicContact CG2-CG2 3.99Å; H1179-V1183 PolarHBondContact O-N 3.35Å; A1180-V1183 PolarHBondContact O-N 3.41Å; V1183-K1185 VanDerWaalsContact C-N 3.29Å; V1183-K1185 PolarHBondContact O-N 3.35Å; V1183-L1186 WeakPolarHBondContact O-CB 3.47Å; V1183-L1186 PolarHBondContact O-N 3.28Å; V1183-L1186 VanDerWaalsContact O-N 3.12Å; V1183-N1187 WeakPolarHBondContact O-CB 3.46Å; V1183-N1187 PolarHBondContact O-N 3.45Å
1184	D	96.6	Very high	96.9	Very high	67 Å²	67	20.7 Å²	20.7	36%	0.358	10%	0.102	S	C	.	.	H	α-helix	trans	-58.2	-42.9	177.6	-64.7	-34.1	0	0	0	112.1	N840 W844 T1182 N1187 R1188	N840-D1184 PolarHBondContact ND2-OD2 3.38Å; W844-D1184 VanDerWaalsContact CE2-OD1 3.31Å; W844-D1184 WeakPolarHBondContact CZ2-OD1 3.29Å; W844-D1184 PolarHBondContact NE1-OD1 3.2Å; T1182-D1184 PolarHBondContact O-N 3.03Å; D1184-N1187 PolarHBondContact O-N 2.82Å; D1184-R1188 PolarHBondContact O-N 3.35Å; D1184-R1188 VanDerWaalsContact O-N 3.15Å
1185	K	96.7	Very high	97.2	Very high	87 Å²	87	20.3 Å²	20.3	38%	0.378	10%	0.1	S	C	.	.	H	α-helix	trans	-65.9	-45.1	175.8	-68.9	-167	177.4	-166.1	0	111.1	E353 I1167 T1182 V1183 N1187 R1188 I1189	E353-K1185 IonicContact OE1-NZ 3.39Å; I1167-K1185 HydrophobicContact CD1-CB 3.6Å; I1167-K1185 HydrophobicContact CD1-CD 3.79Å; I1167-K1185 HydrophobicContact CD1-CG 4.38Å; I1167-K1185 HydrophobicContact CG1-CD 4.4Å; T1182-K1185 PolarHBondContact O-N 3.29Å; V1183-K1185 VanDerWaalsContact C-N 3.29Å; V1183-K1185 PolarHBondContact O-N 3.35Å; K1185-N1187 VanDerWaalsContact C-N 3.32Å; K1185-N1187 PolarHBondContact O-N 3.44Å; K1185-R1188 PolarHBondContact O-N 2.96Å; K1185-I1189 VanDerWaalsContact O-CG1 3.29Å; K1185-I1189 WeakPolarHBondContact O-CG1 3.3Å; K1185-I1189 PolarHBondContact O-N 2.98Å
1186	L	97.7	Very high	97.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58	-45.9	176.3	176.5	62.2	0	0	0	110.8	Q926 T1158 F1169 F1176 T1178 T1182 V1183 R1188 I1189 C1190	Q926-L1186 HydrophobicContact CB-CD2 4.41Å; Q926-L1186 HydrophobicContact CG-CD2 3.99Å; T1158-L1186 HydrophobicContact CG2-CD1 3.9Å; F1169-L1186 HydrophobicContact CD2-CD1 4.15Å; F1169-L1186 HydrophobicContact CE2-CD1 4.16Å; F1176-L1186 HydrophobicContact CB-CD1 4.41Å; F1176-L1186 HydrophobicContact CB-CD2 4.1Å; T1178-L1186 HydrophobicContact CG2-CB 3.87Å; T1178-L1186 HydrophobicContact CG2-CD2 3.53Å; T1178-L1186 HydrophobicContact CG2-CG 4.32Å; T1182-L1186 PolarHBondContact O-N 3.15Å; V1183-L1186 WeakPolarHBondContact O-CB 3.47Å; V1183-L1186 PolarHBondContact O-N 3.28Å; V1183-L1186 VanDerWaalsContact O-N 3.12Å; L1186-R1188 VanDerWaalsContact C-N 3.32Å; L1186-R1188 PolarHBondContact O-N 3.49Å; L1186-I1189 PolarHBondContact O-N 2.96Å; L1186-I1189 VanDerWaalsContact O-N 3.12Å; L1186-C1190 PolarHBondContact O-N 2.94Å; L1186-C1190 PolarHBondContact O-SG 3.4Å
1187	N	96.6	Very high	97.3	Very high	8 Å²	8	20.5 Å²	20.5	4%	0.043	10%	0.103	C	C	.	.	H	α-helix	trans	-60.2	-40.2	179.5	-79	-21	0	0	0	112.7	W844 Q926 V1183 D1184 K1185 R1191	W844-N1187 WeakPolarHBondContact CH2-ND2 3.34Å; Q926-N1187 PolarHBondContact OE1-ND2 2.98Å; Q926-N1187 PolarHBondContact OE1-OD1 3.12Å; V1183-N1187 WeakPolarHBondContact O-CB 3.46Å; V1183-N1187 PolarHBondContact O-N 3.45Å; D1184-N1187 PolarHBondContact O-N 2.82Å; K1185-N1187 VanDerWaalsContact C-N 3.32Å; K1185-N1187 PolarHBondContact O-N 3.44Å; N1187-R1191 VanDerWaalsContact C-NH2 3.3Å; N1187-R1191 PolarHBondContact O-N 3.42Å; N1187-R1191 PolarHBondContact O-NE 2.81Å; N1187-R1191 PolarHBondContact O-NH2 3.34Å
1188	R	96.8	Very high	97.4	Very high	80 Å²	80	20.6 Å²	20.6	30%	0.302	10%	0.103	S	C	.	.	H	α-helix	trans	-61.6	-51.4	171.7	-179.7	-175	61.4	83.2	6.2	111.4	E1165 D1184 K1185 L1186 C1190 R1191 E1192 M1255	E1165-R1188 IonicContact OE1-CZ 2.7Å; E1165-R1188 IonicContact OE1-NH1 3.97Å; E1165-R1188 IonicContact OE1-NH2 3.03Å; E1165-R1188 PolarHBondContact OE1-NH2 2.63Å; E1165-R1188 IonicContact OE2-CZ 2.7Å; E1165-R1188 IonicContact OE2-NH2 3.97Å; E1165-R1188 PolarHBondContact OE2-NH2 3.07Å; D1184-R1188 PolarHBondContact O-N 3.35Å; D1184-R1188 VanDerWaalsContact O-N 3.15Å; K1185-R1188 PolarHBondContact O-N 2.96Å; L1186-R1188 VanDerWaalsContact C-N 3.32Å; L1186-R1188 PolarHBondContact O-N 3.49Å; R1188-C1190 VanDerWaalsContact C-N 3.32Å; R1188-C1190 PolarHBondContact O-N 2.85Å; R1188-R1191 PolarHBondContact O-N 3.46Å; R1188-R1191 VanDerWaalsContact O-N 3.14Å; R1188-E1192 WeakPolarHBondContact CD-OE1 3.3Å; R1188-E1192 HydrophobicContact CG-CG 4.39Å; R1188-E1192 VanDerWaalsContact CG-OE1 3.26Å; R1188-E1192 WeakPolarHBondContact CG-OE1 3.49Å; R1188-E1192 IonicContact CZ-OE1 3.85Å; R1188-E1192 IonicContact CZ-OE2 3.99Å; R1188-E1192 IonicContact NE-OE1 3.69Å; R1188-E1192 IonicContact NH1-OE1 3.7Å; R1188-E1192 PolarHBondContact NH1-OE1 3.1Å; R1188-E1192 IonicContact NH1-OE2 2.77Å; R1188-E1192 PolarHBondContact NH1-OE2 3.3Å; R1188-E1192 WeakPolarHBondContact O-CG 3.47Å; R1188-E1192 PolarHBondContact O-N 3.23Å; R1188-M1255 HydrophobicContact CG-CE 4.4Å
1189	I	97.3	Very high	97.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.2	-45	-179.8	-70.1	169.2	0	0	0	111	T1158 Q1161 I1167 K1185 L1186 R1191 E1192 E1193	T1158-I1189 HydrophobicContact CG2-CG2 3.87Å; Q1161-I1189 HydrophobicContact CB-CG2 3.8Å; Q1161-I1189 HydrophobicContact CG-CD1 4.35Å; Q1161-I1189 HydrophobicContact CG-CG1 4.16Å; Q1161-I1189 HydrophobicContact CG-CG2 4.15Å; I1167-I1189 HydrophobicContact CD1-CD1 3.64Å; K1185-I1189 VanDerWaalsContact O-CG1 3.29Å; K1185-I1189 WeakPolarHBondContact O-CG1 3.3Å; K1185-I1189 PolarHBondContact O-N 2.98Å; L1186-I1189 PolarHBondContact O-N 2.96Å; L1186-I1189 VanDerWaalsContact O-N 3.12Å; I1189-R1191 VanDerWaalsContact C-N 3.27Å; I1189-R1191 PolarHBondContact O-N 2.8Å; I1189-E1192 PolarHBondContact O-N 3.16Å; I1189-E1193 HydrophobicContact CG2-CG 4.2Å; I1189-E1193 WeakPolarHBondContact O-CG 3.15Å; I1189-E1193 PolarHBondContact O-N 2.75Å
1190	C	97.2	Very high	97.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-53.9	-44.8	177.6	-67.5	0	0	0	0	111.7	H1154 F1176 L1186 R1188 F1194 F1260	H1154-C1190 PolarHBondContact NE2-O 3.41Å; F1176-C1190 VanDerWaalsContact CD2-SG 3.55Å; L1186-C1190 PolarHBondContact O-N 2.94Å; L1186-C1190 PolarHBondContact O-SG 3.4Å; R1188-C1190 VanDerWaalsContact C-N 3.32Å; R1188-C1190 PolarHBondContact O-N 2.85Å; C1190-F1194 VanDerWaalsContact O-CB 3.28Å; C1190-F1194 WeakPolarHBondContact O-CB 3.33Å; C1190-F1194 PolarHBondContact O-N 3.06Å; C1190-F1194 VanDerWaalsContact O-N 3.1Å; C1190-F1260 HydrophobicContact CB-CD1 4.35Å; C1190-F1260 HydrophobicContact CB-CE1 4.05Å
1191	R	97.3	Very high	97	Very high	35 Å²	35	27.8 Å²	27.8	13%	0.132	15%	0.148	C	C	.	.	H	α-helix	trans	-69.2	-45.6	179.4	-68.9	179.4	-78.7	-96.9	0.5	111.7	N1187 R1188 I1189 E1193 F1194 I1195 V1254 M1255 A1257 F1260	N1187-R1191 VanDerWaalsContact C-NH2 3.3Å; N1187-R1191 PolarHBondContact O-N 3.42Å; N1187-R1191 PolarHBondContact O-NE 2.81Å; N1187-R1191 PolarHBondContact O-NH2 3.34Å; R1188-R1191 PolarHBondContact O-N 3.46Å; R1188-R1191 VanDerWaalsContact O-N 3.14Å; I1189-R1191 VanDerWaalsContact C-N 3.27Å; I1189-R1191 PolarHBondContact O-N 2.8Å; R1191-E1193 PolarHBondContact O-N 3.07Å; R1191-F1194 PolarHBondContact O-N 2.77Å; R1191-I1195 WeakPolarHBondContact O-CD1 3.47Å; R1191-I1195 VanDerWaalsContact O-CG1 3.31Å; R1191-I1195 WeakPolarHBondContact O-CG1 3.5Å; R1191-I1195 PolarHBondContact O-N 3.41Å; R1191-V1254 HydrophobicContact CB-CG1 4.23Å; R1191-V1254 WeakPolarHBondContact CD-O 3.48Å; R1191-V1254 HydrophobicContact CG-CG1 4.13Å; R1191-V1254 WeakPolarHBondContact CG-O 3.43Å; R1191-M1255 HydrophobicContact CB-SD 3.81Å; R1191-M1255 WeakPolarHBondContact CD-O 3.02Å; R1191-A1257 PolarHBondContact NH1-O 2.88Å; R1191-F1260 HydrophobicContact CG-CB 4.43Å; R1191-F1260 HydrophobicContact CG-CD1 3.61Å; R1191-F1260 HydrophobicContact CG-CE1 4.29Å; R1191-F1260 HydrophobicContact CG-CG 4.34Å
1192	E	96.7	Very high	97	Very high	50 Å²	50	26.4 Å²	26.4	23%	0.234	14%	0.136	C	C	.	.	H	α-helix	trans	-57.8	-49.3	179	-72.7	174.8	-178.8	0	0	111.5	Q1161 R1188 I1189 I1195 A1196 M1255	Q1161-E1192 PolarHBondContact NE2-OE2 3.04Å; R1188-E1192 WeakPolarHBondContact CD-OE1 3.3Å; R1188-E1192 HydrophobicContact CG-CG 4.39Å; R1188-E1192 VanDerWaalsContact CG-OE1 3.26Å; R1188-E1192 WeakPolarHBondContact CG-OE1 3.49Å; R1188-E1192 IonicContact CZ-OE1 3.85Å; R1188-E1192 IonicContact CZ-OE2 3.99Å; R1188-E1192 IonicContact NE-OE1 3.69Å; R1188-E1192 IonicContact NH1-OE1 3.7Å; R1188-E1192 PolarHBondContact NH1-OE1 3.1Å; R1188-E1192 IonicContact NH1-OE2 2.77Å; R1188-E1192 PolarHBondContact NH1-OE2 3.3Å; R1188-E1192 WeakPolarHBondContact O-CG 3.47Å; R1188-E1192 PolarHBondContact O-N 3.23Å; I1189-E1192 PolarHBondContact O-N 3.16Å; E1192-I1195 PolarHBondContact O-N 2.88Å; E1192-A1196 WeakPolarHBondContact O-CB 3.27Å; E1192-A1196 PolarHBondContact O-N 3.4Å; E1192-M1255 HydrophobicContact CG-CE 3.83Å; E1192-M1255 HydrophobicContact CG-SD 3.87Å
1193	E	97.1	Very high	96.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-71.8	-31.8	-178.4	-64.7	-54.3	147.5	0	0	112.9	H346 L347 L1157 Q1161 I1189 R1191 L1197	H346-E1193 IonicContact CD2-OE1 3.28Å; H346-E1193 IonicContact CE1-OE1 2.78Å; H346-E1193 IonicContact CE1-OE2 3.69Å; H346-E1193 PolarHBondContact CE1-OE2 3.11Å; H346-E1193 IonicContact NE2-OE1 2.72Å; H346-E1193 PolarHBondContact NE2-OE1 3.33Å; H346-E1193 IonicContact NE2-OE2 3.65Å; H346-E1193 PolarHBondContact NE2-OE2 3.33Å; L347-E1193 WeakPolarHBondContact CD2-OE1 3.46Å; L1157-E1193 HydrophobicContact CB-CB 3.98Å; L1157-E1193 HydrophobicContact CB-CG 4.09Å; L1157-E1193 WeakPolarHBondContact CB-OE2 3.23Å; Q1161-E1193 HydrophobicContact CB-CG 4.41Å; Q1161-E1193 PolarHBondContact OE1-OE1 2.7Å; I1189-E1193 HydrophobicContact CG2-CG 4.2Å; I1189-E1193 WeakPolarHBondContact O-CG 3.15Å; I1189-E1193 PolarHBondContact O-N 2.75Å; R1191-E1193 PolarHBondContact O-N 3.07Å; E1193-L1197 VanDerWaalsContact O-CB 3.31Å; E1193-L1197 WeakPolarHBondContact O-CB 3.16Å; E1193-L1197 PolarHBondContact O-N 3.25Å
1194	F	97.4	Very high	96.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.1	-44	172.9	-171.2	-93	0	0	0	111.1	Q934 H935 A938 L951 H1154 C1190 R1191 H1198 V1254 F1260	Q934-F1194 HydrophobicContact CB-CE2 4.35Å; Q934-F1194 HydrophobicContact CB-CZ 4.15Å; H935-F1194 AromaticContact CE1-CE2 3.9Å; A938-F1194 HydrophobicContact CB-CE1 3.66Å; A938-F1194 HydrophobicContact CB-CZ 3.7Å; L951-F1194 HydrophobicContact CD1-CE1 4.31Å; L951-F1194 HydrophobicContact CD1-CZ 4.34Å; L951-F1194 HydrophobicContact CD2-CD1 4.22Å; L951-F1194 HydrophobicContact CD2-CE1 3.58Å; L951-F1194 HydrophobicContact CD2-CZ 3.87Å; H1154-F1194 PolarHBondContact CD2-N 2.82Å; H1154-F1194 AromaticContact CE1-CD2 4Å; H1154-F1194 AromaticContact ND1-CD2 3.99Å; C1190-F1194 VanDerWaalsContact O-CB 3.28Å; C1190-F1194 WeakPolarHBondContact O-CB 3.33Å; C1190-F1194 PolarHBondContact O-N 3.06Å; C1190-F1194 VanDerWaalsContact O-N 3.1Å; R1191-F1194 PolarHBondContact O-N 2.77Å; F1194-H1198 AromaticContact CD1-CD2 3.74Å; F1194-H1198 AromaticContact CD2-CD2 3.82Å; F1194-H1198 AromaticContact CD2-NE2 3.93Å; F1194-H1198 AromaticContact CE1-CD2 3.45Å; F1194-H1198 VanDerWaalsContact CE1-CD2 3.45Å; F1194-H1198 WeakPolarHBondContact CE1-CD2 3.22Å; F1194-H1198 AromaticContact CE1-NE2 3.92Å; F1194-H1198 AromaticContact CE2-CD2 3.56Å; F1194-H1198 AromaticContact CE2-NE2 3.32Å; F1194-H1198 VanDerWaalsContact CE2-NE2 3.32Å; F1194-H1198 WeakPolarHBondContact CE2-NE2 3.33Å; F1194-H1198 AromaticContact CG-CD2 3.92Å; F1194-H1198 AromaticContact CZ-CD2 3.36Å; F1194-H1198 WeakPolarHBondContact CZ-CD2 3.48Å; F1194-H1198 AromaticContact CZ-NE2 3.31Å; F1194-H1198 VanDerWaalsContact CZ-NE2 3.31Å; F1194-H1198 WeakPolarHBondContact CZ-NE2 3.45Å; F1194-H1198 PolarHBondContact O-CD2 2.93Å; F1194-H1198 VanDerWaalsContact O-CD2 3.3Å; F1194-H1198 PolarHBondContact O-N 3.41Å; F1194-V1254 HydrophobicContact CD1-CG1 4.14Å; F1194-V1254 HydrophobicContact CD1-CG2 4.34Å; F1194-V1254 HydrophobicContact CE1-CG2 4.45Å; F1194-F1260 HydrophobicContact CB-CE1 4.09Å; F1194-F1260 HydrophobicContact CB-CZ 3.79Å; F1194-F1260 HydrophobicContact CD1-CE2 4.49Å; F1194-F1260 HydrophobicContact CD1-CZ 4.22Å; F1194-F1260 HydrophobicContact CD2-CE2 4.13Å; F1194-F1260 AromaticContact CD2-CZ 3.58Å; F1194-F1260 HydrophobicContact CD2-CZ 3.58Å; F1194-F1260 HydrophobicContact CE2-CE2 4.27Å; F1194-F1260 HydrophobicContact CE2-CZ 4.16Å; F1194-F1260 HydrophobicContact CG-CE1 4.38Å; F1194-F1260 HydrophobicContact CG-CE2 4.23Å; F1194-F1260 AromaticContact CG-CZ 3.6Å; F1194-F1260 HydrophobicContact CG-CZ 3.6Å
1195	I	97.3	Very high	96.8	Very high	28 Å²	28	28.1 Å²	28.1	14%	0.144	15%	0.147	C	C	.	.	H	α-helix	trans	-64.5	-46.6	176.4	-70.7	161.7	0	0	0	110.5	R1191 E1192 L1197 H1198 S1199 L1251 V1254 M1255	R1191-I1195 WeakPolarHBondContact O-CD1 3.47Å; R1191-I1195 VanDerWaalsContact O-CG1 3.31Å; R1191-I1195 WeakPolarHBondContact O-CG1 3.5Å; R1191-I1195 PolarHBondContact O-N 3.41Å; E1192-I1195 PolarHBondContact O-N 2.88Å; I1195-L1197 VanDerWaalsContact C-N 3.31Å; I1195-L1197 PolarHBondContact O-N 2.94Å; I1195-H1198 PolarHBondContact O-N 3.36Å; I1195-S1199 WeakPolarHBondContact O-CB 3.5Å; I1195-S1199 PolarHBondContact O-N 3.01Å; I1195-S1199 PolarHBondContact O-OG 3.37Å; I1195-L1251 WeakPolarHBondContact CG1-O 3.28Å; I1195-V1254 HydrophobicContact CD1-CB 3.87Å; I1195-V1254 HydrophobicContact CD1-CG1 4.37Å; I1195-V1254 HydrophobicContact CG1-CB 3.85Å; I1195-V1254 HydrophobicContact CG1-CG1 4.28Å; I1195-V1254 HydrophobicContact CG1-CG2 4.44Å; I1195-M1255 HydrophobicContact CD1-CB 4.32Å; I1195-M1255 HydrophobicContact CD1-CG 3.37Å; I1195-M1255 HydrophobicContact CD1-SD 3.52Å; I1195-M1255 VanDerWaalsContact CD1-SD 3.52Å
1196	A	96.5	Very high	96.8	Very high	13 Å²	13	24.4 Å²	24.4	11%	0.107	13%	0.131	C	C	.	.	H	α-helix	trans	-59.2	-42.8	-180	0	0	0	0	0	112.3	H346 E1192 Q1200	H346-A1196 WeakPolarHBondContact CE1-CB 3.49Å; H346-A1196 WeakPolarHBondContact ND1-CB 3.48Å; E1192-A1196 WeakPolarHBondContact O-CB 3.27Å; E1192-A1196 PolarHBondContact O-N 3.4Å; A1196-Q1200 PolarHBondContact O-NE2 2.95Å; A1196-Q1200 VanDerWaalsContact O-NE2 3.1Å
1197	L	97.7	Very high	96.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.4	-54.5	175.7	177.5	61.9	0	0	0	111.8	A343 P1079 L1150 C1153 H1154 L1157 E1193 I1195 S1199 Q1200 I1202	A343-L1197 HydrophobicContact CB-CD1 4.41Å; P1079-L1197 HydrophobicContact CB-CD1 3.8Å; P1079-L1197 HydrophobicContact CG-CD1 3.73Å; L1150-L1197 HydrophobicContact CB-CD2 4.47Å; L1150-L1197 VanDerWaalsContact O-CD2 3.31Å; L1150-L1197 WeakPolarHBondContact O-CD2 3.16Å; C1153-L1197 HydrophobicContact CB-CD1 4.03Å; C1153-L1197 HydrophobicContact CB-CD2 4.2Å; H1154-L1197 HydrophobicContact CB-CD2 3.93Å; L1157-L1197 HydrophobicContact CD1-CB 4.11Å; L1157-L1197 HydrophobicContact CD1-CD1 4.46Å; E1193-L1197 VanDerWaalsContact O-CB 3.31Å; E1193-L1197 WeakPolarHBondContact O-CB 3.16Å; E1193-L1197 PolarHBondContact O-N 3.25Å; I1195-L1197 VanDerWaalsContact C-N 3.31Å; I1195-L1197 PolarHBondContact O-N 2.94Å; L1197-S1199 VanDerWaalsContact C-N 3.27Å; L1197-S1199 PolarHBondContact O-N 3.25Å; L1197-Q1200 WeakPolarHBondContact O-CB 3.2Å; L1197-Q1200 WeakPolarHBondContact O-CG 3.23Å; L1197-Q1200 PolarHBondContact O-N 2.54Å; L1197-I1202 HydrophobicContact CD1-CD1 4.45Å; L1197-I1202 HydrophobicContact CG-CD1 4.47Å
1198	H	97.6	Very high	96.7	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.009	15%	0.152	C	C	.	.	H	α-helix	trans	-80	-7.5	-174.4	-73.2	-73.8	0	0	0	114.3	H935 A938 R941 F1194 I1195 L1251	H935-H1198 AromaticContact CE1-NE2 3.67Å; H935-H1198 AromaticContact CG-NE2 3.82Å; H935-H1198 AromaticContact ND1-CE1 3.33Å; H935-H1198 PolarHBondContact ND1-CE1 3.31Å; H935-H1198 VanDerWaalsContact ND1-CE1 3.33Å; H935-H1198 AromaticContact ND1-NE2 2.99Å; H935-H1198 PolarHBondContact ND1-NE2 2.9Å; A938-H1198 HydrophobicContact CB-CB 3.97Å; A938-H1198 VanDerWaalsContact CB-CG 3.48Å; R941-H1198 PolarHBondContact NH1-O 3.07Å; R941-H1198 PolarHBondContact NH2-O 3.43Å; F1194-H1198 AromaticContact CD1-CD2 3.74Å; F1194-H1198 AromaticContact CD2-CD2 3.82Å; F1194-H1198 AromaticContact CD2-NE2 3.93Å; F1194-H1198 AromaticContact CE1-CD2 3.45Å; F1194-H1198 VanDerWaalsContact CE1-CD2 3.45Å; F1194-H1198 WeakPolarHBondContact CE1-CD2 3.22Å; F1194-H1198 AromaticContact CE1-NE2 3.92Å; F1194-H1198 AromaticContact CE2-CD2 3.56Å; F1194-H1198 AromaticContact CE2-NE2 3.32Å; F1194-H1198 VanDerWaalsContact CE2-NE2 3.32Å; F1194-H1198 WeakPolarHBondContact CE2-NE2 3.33Å; F1194-H1198 AromaticContact CG-CD2 3.92Å; F1194-H1198 AromaticContact CZ-CD2 3.36Å; F1194-H1198 WeakPolarHBondContact CZ-CD2 3.48Å; F1194-H1198 AromaticContact CZ-NE2 3.31Å; F1194-H1198 VanDerWaalsContact CZ-NE2 3.31Å; F1194-H1198 WeakPolarHBondContact CZ-NE2 3.45Å; F1194-H1198 PolarHBondContact O-CD2 2.93Å; F1194-H1198 VanDerWaalsContact O-CD2 3.3Å; F1194-H1198 PolarHBondContact O-N 3.41Å; I1195-H1198 PolarHBondContact O-N 3.36Å; H1198-L1251 HydrophobicContact CB-CD1 3.78Å; H1198-L1251 HydrophobicContact CB-CD2 4.11Å; H1198-L1251 WeakPolarHBondContact O-CD1 3.18Å
1199	S	96.3	Very high	96.5	Very high	66 Å²	66	26.8 Å²	26.8	46%	0.462	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.2	167.6	-65.4	0	0	0	0	111.8	I1195 L1197	I1195-S1199 WeakPolarHBondContact O-CB 3.5Å; I1195-S1199 PolarHBondContact O-N 3.01Å; I1195-S1199 PolarHBondContact O-OG 3.37Å; L1197-S1199 VanDerWaalsContact C-N 3.27Å; L1197-S1199 PolarHBondContact O-N 3.25Å
1200	Q	96.2	Very high	96.3	Very high	39 Å²	39	26.8 Å²	26.8	18%	0.182	15%	0.147	C	C	.	.	S	Bend	trans	-70.2	149.3	174.7	-53.9	-46.7	-53.8	0	0	111.4	A343 A1196 L1197 I1202	A343-Q1200 HydrophobicContact CB-CG 3.92Å; A1196-Q1200 PolarHBondContact O-NE2 2.95Å; A1196-Q1200 VanDerWaalsContact O-NE2 3.1Å; L1197-Q1200 WeakPolarHBondContact O-CB 3.2Å; L1197-Q1200 WeakPolarHBondContact O-CG 3.23Å; L1197-Q1200 PolarHBondContact O-N 2.54Å; Q1200-I1202 HydrophobicContact CB-CG1 4.09Å; Q1200-I1202 PolarHBondContact O-N 3.18Å
1201	P	95.3	Very high	96.2	Very high	53 Å²	53	32.1 Å²	32.1	34%	0.344	17%	0.17	S	C	.	.			trans	-78.3	51.6	178	33.5	-34.2	0	0	0	112.6	L1203 S1204 D1205	P1201-L1203 PolarHBondContact O-N 3.28Å; P1201-L1203 VanDerWaalsContact O-N 3.1Å; P1201-S1204 WeakPolarHBondContact O-CA 3.49Å; P1201-S1204 VanDerWaalsContact O-CB 3.3Å; P1201-S1204 WeakPolarHBondContact O-CB 3.44Å; P1201-S1204 PolarHBondContact O-N 3.24Å; P1201-D1205 PolarHBondContact O-N 3.21Å
1202	I	97.1	Very high	95.8	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.041	20%	0.198	C	C	.	.	H	α-helix	trans	-45.9	-49.6	-168.9	-62.1	169.8	0	0	0	114	L939 P1079 F1146 L1150 L1197 Q1200 S1204 F1206	L939-I1202 HydrophobicContact CD2-CB 3.89Å; L939-I1202 HydrophobicContact CD2-CD1 3.85Å; L939-I1202 HydrophobicContact CD2-CG1 4.44Å; L939-I1202 HydrophobicContact CD2-CG2 3.96Å; P1079-I1202 HydrophobicContact CG-CD1 4.29Å; P1079-I1202 HydrophobicContact CG-CG1 3.96Å; F1146-I1202 HydrophobicContact CE1-CG2 4.07Å; F1146-I1202 HydrophobicContact CZ-CG2 3.76Å; L1150-I1202 HydrophobicContact CD1-CD1 4.29Å; L1150-I1202 HydrophobicContact CD1-CG2 4.29Å; L1150-I1202 HydrophobicContact CD2-CD1 4.03Å; L1150-I1202 HydrophobicContact CD2-CG2 4.07Å; L1197-I1202 HydrophobicContact CD1-CD1 4.45Å; L1197-I1202 HydrophobicContact CG-CD1 4.47Å; Q1200-I1202 HydrophobicContact CB-CG1 4.09Å; Q1200-I1202 PolarHBondContact O-N 3.18Å; I1202-S1204 VanDerWaalsContact C-N 3.35Å; I1202-F1206 WeakPolarHBondContact O-CB 3.49Å; I1202-F1206 PolarHBondContact O-N 2.88Å
1203	L	96.5	Very high	95.3	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-69.8	-32	-179.2	-61.5	-177.9	0	0	0	112.7	L939 I1055 W1058 F1146 P1201 A1207 L1243 P1244	L939-L1203 HydrophobicContact CD2-CD2 4.42Å; L939-L1203 HydrophobicContact CD2-CG 4.34Å; I1055-L1203 HydrophobicContact CD1-CD1 4.34Å; I1055-L1203 HydrophobicContact CG1-CD1 4.24Å; I1055-L1203 HydrophobicContact CG2-CD2 4.41Å; W1058-L1203 HydrophobicContact CH2-CB 4.5Å; W1058-L1203 HydrophobicContact CZ3-CB 4.43Å; W1058-L1203 HydrophobicContact CZ3-CD2 4.05Å; F1146-L1203 HydrophobicContact CE1-CD2 4.06Å; F1146-L1203 HydrophobicContact CZ-CD2 4.4Å; P1201-L1203 PolarHBondContact O-N 3.28Å; P1201-L1203 VanDerWaalsContact O-N 3.1Å; L1203-A1207 WeakPolarHBondContact O-CB 3.36Å; L1203-A1207 PolarHBondContact O-N 3.44Å; L1203-L1243 HydrophobicContact CB-CD2 4.2Å; L1203-P1244 HydrophobicContact CD1-CG 4.44Å
1204	S	96.2	Very high	94.9	Very high	39 Å²	39	40 Å²	40	27%	0.273	20%	0.204	S	C	.	.	H	α-helix	trans	-70.9	-48.3	175.5	-163.5	0	0	0	0	110.5	P1201 I1202 F1206 A1207 D1208	P1201-S1204 WeakPolarHBondContact O-CA 3.49Å; P1201-S1204 VanDerWaalsContact O-CB 3.3Å; P1201-S1204 WeakPolarHBondContact O-CB 3.44Å; P1201-S1204 PolarHBondContact O-N 3.24Å; I1202-S1204 VanDerWaalsContact C-N 3.35Å; S1204-F1206 PolarHBondContact O-N 3.33Å; S1204-A1207 CarbonylContact O-C 3.03Å; S1204-A1207 WeakPolarHBondContact O-CA 3.48Å; S1204-A1207 WeakPolarHBondContact O-CB 3.23Å; S1204-A1207 PolarHBondContact O-N 3.45Å; S1204-D1208 PolarHBondContact O-N 2.91Å
1205	D	95.5	Very high	94.5	Very high	79 Å²	79	41 Å²	41	42%	0.422	22%	0.215	S	C	.	.	H	α-helix	trans	-58.8	-40.1	177.9	-64.2	-24.5	0	0	0	111	P1201 Y1209	P1201-D1205 PolarHBondContact O-N 3.21Å; D1205-Y1209 WeakPolarHBondContact O-CB 3.34Å; D1205-Y1209 PolarHBondContact O-N 2.96Å
1206	F	96.3	Very high	94.1	Very high	9 Å²	9	41.6 Å²	41.6	4%	0.039	22%	0.216	C	C	.	.	H	α-helix	trans	-64.4	-45.3	172.7	172.6	-111.9	0	0	0	112.3	W1058 L1059 I1062 W1076 F1142 F1146 I1202 S1204 D1208 Y1209 V1210	W1058-F1206 AromaticContact CH2-CD1 3.71Å; W1058-F1206 HydrophobicContact CH2-CD1 3.71Å; W1058-F1206 HydrophobicContact CH2-CE1 4.14Å; W1058-F1206 AromaticContact CZ3-CD1 3.77Å; W1058-F1206 HydrophobicContact CZ3-CD1 3.77Å; W1058-F1206 HydrophobicContact CZ3-CE1 4.07Å; L1059-F1206 HydrophobicContact CD2-CD1 4.16Å; L1059-F1206 HydrophobicContact CD2-CE1 3.82Å; I1062-F1206 HydrophobicContact CD1-CE1 3.99Å; I1062-F1206 HydrophobicContact CG2-CE1 4.28Å; I1062-F1206 HydrophobicContact CG2-CZ 4.1Å; W1076-F1206 HydrophobicContact CB-CD2 3.7Å; W1076-F1206 HydrophobicContact CB-CE2 3.88Å; F1142-F1206 AromaticContact CE1-CE1 3.96Å; F1142-F1206 HydrophobicContact CE1-CE1 3.96Å; F1142-F1206 HydrophobicContact CE1-CE2 4.46Å; F1142-F1206 AromaticContact CE1-CZ 3.6Å; F1142-F1206 HydrophobicContact CE1-CZ 3.6Å; F1142-F1206 HydrophobicContact CE2-CZ 4.45Å; F1142-F1206 AromaticContact CZ-CE1 3.84Å; F1142-F1206 HydrophobicContact CZ-CE1 3.84Å; F1142-F1206 AromaticContact CZ-CE2 3.72Å; F1142-F1206 HydrophobicContact CZ-CE2 3.72Å; F1142-F1206 AromaticContact CZ-CZ 3.28Å; F1142-F1206 HydrophobicContact CZ-CZ 3.28Å; F1146-F1206 HydrophobicContact CE2-CB 4.37Å; F1146-F1206 HydrophobicContact CE2-CD2 4.29Å; F1146-F1206 HydrophobicContact CE2-CG 4.17Å; F1146-F1206 HydrophobicContact CZ-CB 4.39Å; I1202-F1206 WeakPolarHBondContact O-CB 3.49Å; I1202-F1206 PolarHBondContact O-N 2.88Å; S1204-F1206 PolarHBondContact O-N 3.33Å; F1206-D1208 VanDerWaalsContact C-N 3.32Å; F1206-D1208 PolarHBondContact O-N 3.11Å; F1206-Y1209 WeakPolarHBondContact O-CB 3.37Å; F1206-Y1209 PolarHBondContact O-N 3.23Å; F1206-V1210 HydrophobicContact CD2-CG2 4.01Å; F1206-V1210 HydrophobicContact CE1-CG2 4.08Å; F1206-V1210 HydrophobicContact CE2-CG2 3.41Å; F1206-V1210 VanDerWaalsContact CE2-CG2 3.41Å; F1206-V1210 HydrophobicContact CZ-CG2 3.43Å; F1206-V1210 VanDerWaalsContact CZ-CG2 3.43Å; F1206-V1210 WeakPolarHBondContact O-CG2 3.38Å; F1206-V1210 PolarHBondContact O-N 3.13Å
1207	A	96.7	Very high	93.7	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.017	23%	0.233	C	C	.	.	H	α-helix	trans	-60.8	-42.1	177.7	0	0	0	0	0	111.7	W1058 L1203 S1204 V1210 K1211	W1058-A1207 HydrophobicContact CH2-CB 4.21Å; W1058-A1207 HydrophobicContact CZ2-CB 4.15Å; L1203-A1207 WeakPolarHBondContact O-CB 3.36Å; L1203-A1207 PolarHBondContact O-N 3.44Å; S1204-A1207 CarbonylContact O-C 3.03Å; S1204-A1207 WeakPolarHBondContact O-CA 3.48Å; S1204-A1207 WeakPolarHBondContact O-CB 3.23Å; S1204-A1207 PolarHBondContact O-N 3.45Å; A1207-V1210 PolarHBondContact O-N 3.43Å; A1207-K1211 VanDerWaalsContact O-CB 3.28Å; A1207-K1211 WeakPolarHBondContact O-CB 3.41Å; A1207-K1211 PolarHBondContact O-N 2.96Å
1208	D	95.4	Very high	93.2	Very high	85 Å²	85	50.4 Å²	50.4	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-65.8	-42.7	177	-71.7	-34.3	0	0	0	111.8	S1204 F1206 V1210 K1211 Q1212	S1204-D1208 PolarHBondContact O-N 2.91Å; F1206-D1208 VanDerWaalsContact C-N 3.32Å; F1206-D1208 PolarHBondContact O-N 3.11Å; D1208-V1210 VanDerWaalsContact C-N 3.34Å; D1208-V1210 PolarHBondContact O-N 2.73Å; D1208-K1211 PolarHBondContact O-N 3.45Å; D1208-Q1212 WeakPolarHBondContact O-CB 3.43Å; D1208-Q1212 PolarHBondContact O-N 3.15Å
1209	Y	93.3	Very high	92.7	Very high	51 Å²	51	57.3 Å²	57.3	20%	0.2	29%	0.294	C	S	.	.	H	α-helix	trans	-56	-48	171.8	169.6	-89.7	0	0	0	111.6	S1075 D1205 F1206 Q1212 R1213	S1075-Y1209 WeakPolarHBondContact O-CE1 3.46Å; S1075-Y1209 PolarHBondContact OG-OH 3.44Å; D1205-Y1209 WeakPolarHBondContact O-CB 3.34Å; D1205-Y1209 PolarHBondContact O-N 2.96Å; F1206-Y1209 WeakPolarHBondContact O-CB 3.37Å; F1206-Y1209 PolarHBondContact O-N 3.23Å; Y1209-Q1212 PolarHBondContact O-N 3.46Å; Y1209-R1213 WeakPolarHBondContact O-CB 3.34Å; Y1209-R1213 PolarHBondContact O-N 3.4Å; Y1209-R1213 VanDerWaalsContact O-N 3.13Å
1210	V	93.8	Very high	92	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.9	-39.9	179	176	0	0	0	0	110.9	I1062 I1066 F1206 A1207 D1208 R1213 F1214 G1215 F1236 L1240	I1062-V1210 HydrophobicContact CG2-CG1 4.16Å; I1062-V1210 HydrophobicContact CG2-CG2 4.38Å; I1066-V1210 HydrophobicContact CD1-CG1 4.14Å; I1066-V1210 HydrophobicContact CD1-CG2 4.28Å; F1206-V1210 HydrophobicContact CD2-CG2 4.01Å; F1206-V1210 HydrophobicContact CE1-CG2 4.08Å; F1206-V1210 HydrophobicContact CE2-CG2 3.41Å; F1206-V1210 VanDerWaalsContact CE2-CG2 3.41Å; F1206-V1210 HydrophobicContact CZ-CG2 3.43Å; F1206-V1210 VanDerWaalsContact CZ-CG2 3.43Å; F1206-V1210 WeakPolarHBondContact O-CG2 3.38Å; F1206-V1210 PolarHBondContact O-N 3.13Å; A1207-V1210 PolarHBondContact O-N 3.43Å; D1208-V1210 VanDerWaalsContact C-N 3.34Å; D1208-V1210 PolarHBondContact O-N 2.73Å; V1210-R1213 PolarHBondContact O-N 2.93Å; V1210-F1214 HydrophobicContact CG1-CD2 4.12Å; V1210-F1214 WeakPolarHBondContact O-CA 3.36Å; V1210-F1214 WeakPolarHBondContact O-CB 3.49Å; V1210-F1214 PolarHBondContact O-N 2.74Å; V1210-G1215 PolarHBondContact O-N 2.85Å; V1210-F1236 HydrophobicContact CG1-CE2 4.46Å; V1210-F1236 HydrophobicContact CG1-CZ 3.78Å; V1210-L1240 HydrophobicContact CB-CD2 4Å; V1210-L1240 HydrophobicContact CG1-CD1 3.96Å; V1210-L1240 HydrophobicContact CG1-CD2 3.57Å; V1210-L1240 HydrophobicContact CG1-CG 4.43Å
1211	K	93.1	Very high	91.6	Very high	111 Å²	111	56.5 Å²	56.5	48%	0.483	28%	0.283	S	S	.	.	H	α-helix	trans	-63.9	-43.3	178	-174.1	177.8	178.6	-179.9	0	111.8	A1207 D1208 R1213 G1215 L1240	A1207-K1211 VanDerWaalsContact O-CB 3.28Å; A1207-K1211 WeakPolarHBondContact O-CB 3.41Å; A1207-K1211 PolarHBondContact O-N 2.96Å; D1208-K1211 PolarHBondContact O-N 3.45Å; K1211-R1213 VanDerWaalsContact C-N 3.31Å; K1211-R1213 PolarHBondContact O-N 3.05Å; K1211-G1215 VanDerWaalsContact O-CA 3.23Å; K1211-G1215 WeakPolarHBondContact O-CA 3.42Å; K1211-G1215 PolarHBondContact O-N 3.34Å; K1211-L1240 HydrophobicContact CB-CD1 4Å
1212	Q	90.1	Very high	91.1	Very high	157 Å²	157	59.3 Å²	59.3	73%	0.734	30%	0.295	S	S	*	.	H	α-helix	trans	-64.3	-37.8	177.4	-171.5	-176.1	26.4	0	0	112	D1208 Y1209	D1208-Q1212 WeakPolarHBondContact O-CB 3.43Å; D1208-Q1212 PolarHBondContact O-N 3.15Å; Y1209-Q1212 PolarHBondContact O-N 3.46Å
1213	R	86.4	Confident	90.5	Very high	88 Å²	88	64.5 Å²	64.5	33%	0.332	32%	0.319	S	S	.	.	H	α-helix	trans	-85.3	-41.9	-175.2	-168.3	170.7	-178.3	118.1	2.2	113.3	H76 Y1209 V1210 K1211	H76-R1213 PolarHBondContact CE1-O 3.4Å; Y1209-R1213 WeakPolarHBondContact O-CB 3.34Å; Y1209-R1213 PolarHBondContact O-N 3.4Å; Y1209-R1213 VanDerWaalsContact O-N 3.13Å; V1210-R1213 PolarHBondContact O-N 2.93Å; K1211-R1213 VanDerWaalsContact C-N 3.31Å; K1211-R1213 PolarHBondContact O-N 3.05Å
1214	F	88.8	Confident	89.8	Confident	5 Å²	5	65.9 Å²	65.9	2%	0.022	33%	0.325	C	S	.	.	H	α-helix	trans	-125.1	-8.7	-169.5	-57.9	-72.7	0	0	0	114.1	H76 I1066 F1070 H1072 V1210 F1236	H76-F1214 AromaticContact CE1-CD1 3.6Å; H76-F1214 AromaticContact CE1-CE1 3.64Å; H76-F1214 AromaticContact ND1-CE1 3.7Å; I1066-F1214 HydrophobicContact CD1-CD2 4.25Å; I1066-F1214 HydrophobicContact CD1-CE2 4.18Å; I1066-F1214 HydrophobicContact CG1-CD2 4.15Å; I1066-F1214 HydrophobicContact CG1-CE2 4.25Å; I1066-F1214 HydrophobicContact CG2-CE1 4.46Å; I1066-F1214 HydrophobicContact CG2-CE2 4.15Å; I1066-F1214 HydrophobicContact CG2-CZ 3.99Å; F1070-F1214 HydrophobicContact CB-CD1 4.2Å; F1070-F1214 HydrophobicContact CB-CE1 4.43Å; F1070-F1214 HydrophobicContact CD1-CD1 4.11Å; F1070-F1214 HydrophobicContact CD2-CB 4.37Å; F1070-F1214 HydrophobicContact CD2-CD1 4.33Å; F1070-F1214 HydrophobicContact CE1-CB 4.28Å; F1070-F1214 WeakPolarHBondContact CE1-O 3.16Å; F1070-F1214 HydrophobicContact CE2-CB 4.04Å; F1070-F1214 AromaticContact CG-CD1 3.97Å; F1070-F1214 HydrophobicContact CG-CD1 3.97Å; F1070-F1214 HydrophobicContact CZ-CB 3.98Å; F1070-F1214 WeakPolarHBondContact CZ-O 3.44Å; H1072-F1214 HydrophobicContact CB-CE1 3.82Å; H1072-F1214 HydrophobicContact CB-CZ 3.97Å; H1072-F1214 AromaticContact CD2-CE1 3.8Å; H1072-F1214 AromaticContact CG-CE1 3.85Å; V1210-F1214 HydrophobicContact CG1-CD2 4.12Å; V1210-F1214 WeakPolarHBondContact O-CA 3.36Å; V1210-F1214 WeakPolarHBondContact O-CB 3.49Å; V1210-F1214 PolarHBondContact O-N 2.74Å; F1214-F1236 HydrophobicContact CB-CE1 4Å; F1214-F1236 HydrophobicContact CB-CZ 4.12Å; F1214-F1236 WeakPolarHBondContact O-CE1 3.46Å
1215	G	89.3	Confident	89	Confident	22 Å²	22	73.9 Å²	73.9	23%	0.227	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-61.8	141.1	-179.9	0	0	0	0	0	112.3	V1210 K1211	V1210-G1215 PolarHBondContact O-N 2.85Å; K1211-G1215 VanDerWaalsContact O-CA 3.23Å; K1211-G1215 WeakPolarHBondContact O-CA 3.42Å; K1211-G1215 PolarHBondContact O-N 3.34Å
1216	Y	88.7	Confident	88.5	Confident	41 Å²	41	74.8 Å²	74.8	16%	0.161	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-84	135.5	176.8	-64.2	-79.3	0	0	0	110.7	F1070 F1224 A1233 F1236 N1237	F1070-Y1216 AromaticContact CE1-CE1 3.98Å; F1070-Y1216 HydrophobicContact CE1-CE1 3.98Å; F1070-Y1216 HydrophobicContact CE1-CE2 4.22Å; F1070-Y1216 AromaticContact CE1-CZ 3.62Å; F1070-Y1216 WeakPolarHBondContact CE1-OH 3.33Å; F1070-Y1216 HydrophobicContact CE2-CE2 4.27Å; F1070-Y1216 HydrophobicContact CZ-CD2 4.33Å; F1070-Y1216 HydrophobicContact CZ-CE1 4.08Å; F1070-Y1216 AromaticContact CZ-CE2 3.48Å; F1070-Y1216 HydrophobicContact CZ-CE2 3.48Å; F1070-Y1216 VanDerWaalsContact CZ-CE2 3.48Å; F1070-Y1216 AromaticContact CZ-CZ 3.33Å; F1070-Y1216 WeakPolarHBondContact CZ-OH 3.18Å; Y1216-F1224 AromaticContact CD1-CE2 3.89Å; Y1216-F1224 HydrophobicContact CD1-CE2 3.89Å; Y1216-F1224 AromaticContact CD1-CZ 3.86Å; Y1216-F1224 HydrophobicContact CD1-CZ 3.86Å; Y1216-F1224 HydrophobicContact CE1-CE2 4.01Å; Y1216-F1224 AromaticContact CE1-CZ 3.71Å; Y1216-F1224 HydrophobicContact CE1-CZ 3.71Å; Y1216-A1233 HydrophobicContact CD1-CB 4.27Å; Y1216-A1233 HydrophobicContact CD2-CB 3.44Å; Y1216-A1233 VanDerWaalsContact CD2-CB 3.44Å; Y1216-A1233 HydrophobicContact CE2-CB 3.71Å; Y1216-A1233 HydrophobicContact CG-CB 3.73Å; Y1216-F1236 HydrophobicContact CD2-CD1 4.06Å; Y1216-F1236 HydrophobicContact CE2-CB 4.49Å; Y1216-F1236 AromaticContact CE2-CD1 3.97Å; Y1216-F1236 HydrophobicContact CE2-CD1 3.97Å; Y1216-N1237 PolarHBondContact N-OD1 3.36Å; Y1216-N1237 VanDerWaalsContact N-OD1 3.08Å; Y1216-N1237 PolarHBondContact O-ND2 2.83Å
1217	T	87.8	Confident	88	Confident	75 Å²	75	76.7 Å²	76.7	46%	0.46	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-79.9	154.8	169.8	61.4	0	0	0	0	111	K1219 Q1220 I1221	T1217-K1219 PolarHBondContact O-N 3.05Å; T1217-Q1220 WeakPolarHBondContact O-CB 3.4Å; T1217-Q1220 PolarHBondContact O-N 3.21Å; T1217-Q1220 VanDerWaalsContact OG1-CG 3.25Å; T1217-Q1220 WeakPolarHBondContact OG1-CG 3.36Å; T1217-Q1220 PolarHBondContact OG1-N 3.39Å; T1217-Q1220 PolarHBondContact OG1-OE1 2.85Å; T1217-I1221 WeakPolarHBondContact O-CG1 3.33Å; T1217-I1221 PolarHBondContact O-N 2.91Å
1218	D	86.6	Confident	87.5	Confident	122 Å²	122	83.2 Å²	83.2	65%	0.652	41%	0.41	S	S	*	.	H	α-helix	trans	-57.5	-36.1	178.4	-61.7	-38.4	0	0	0	112.1	I1221 N1222	D1218-I1221 PolarHBondContact O-N 3.28Å; D1218-N1222 WeakPolarHBondContact O-CB 3.34Å; D1218-N1222 VanDerWaalsContact O-CG 3.25Å; D1218-N1222 PolarHBondContact O-N 3.16Å; D1218-N1222 PolarHBondContact O-ND2 2.91Å
1219	K	86.4	Confident	87	Confident	147 Å²	147	83.7 Å²	83.7	64%	0.639	41%	0.408	S	S	*	.	H	α-helix	trans	-59	-51.3	173.4	-178.1	174.6	175.2	177.8	0	111.8	T1217 I1221 N1222 E1223	T1217-K1219 PolarHBondContact O-N 3.05Å; K1219-I1221 VanDerWaalsContact C-N 3.29Å; K1219-I1221 PolarHBondContact O-N 3.39Å; K1219-N1222 PolarHBondContact O-N 3.28Å; K1219-E1223 WeakPolarHBondContact CE-OE1 3.23Å; K1219-E1223 WeakPolarHBondContact CG-OE1 3.36Å; K1219-E1223 VanDerWaalsContact O-CG 3.29Å; K1219-E1223 WeakPolarHBondContact O-CG 3.46Å; K1219-E1223 PolarHBondContact O-N 3.32Å
1220	Q	83.5	Confident	86.7	Confident	81 Å²	81	86.2 Å²	86.2	38%	0.379	42%	0.417	S	S	.	.	H	α-helix	trans	-60.9	-39	178.2	-73.5	167	-42.2	0	0	112	T1217 E1223 F1224	T1217-Q1220 WeakPolarHBondContact O-CB 3.4Å; T1217-Q1220 PolarHBondContact O-N 3.21Å; T1217-Q1220 VanDerWaalsContact OG1-CG 3.25Å; T1217-Q1220 WeakPolarHBondContact OG1-CG 3.36Å; T1217-Q1220 PolarHBondContact OG1-N 3.39Å; T1217-Q1220 PolarHBondContact OG1-OE1 2.85Å; Q1220-E1223 PolarHBondContact O-N 3Å; Q1220-F1224 VanDerWaalsContact O-CD2 3.31Å; Q1220-F1224 WeakPolarHBondContact O-CD2 3.47Å; Q1220-F1224 WeakPolarHBondContact O-CE2 3.48Å; Q1220-F1224 WeakPolarHBondContact O-CG 3.27Å; Q1220-F1224 PolarHBondContact O-N 3.17Å
1221	I	86.4	Confident	86.6	Confident	8 Å²	8	92.9 Å²	92.9	4%	0.041	45%	0.448	C	S	.	.	H	α-helix	trans	-64.1	-46.4	178.2	-64	172	0	0	0	110.2	T1217 D1218 K1219 E1223 F1224 R1230 A1233 L1234	T1217-I1221 WeakPolarHBondContact O-CG1 3.33Å; T1217-I1221 PolarHBondContact O-N 2.91Å; D1218-I1221 PolarHBondContact O-N 3.28Å; K1219-I1221 VanDerWaalsContact C-N 3.29Å; K1219-I1221 PolarHBondContact O-N 3.39Å; I1221-E1223 VanDerWaalsContact C-N 3.3Å; I1221-E1223 PolarHBondContact O-N 2.76Å; I1221-F1224 PolarHBondContact O-N 3.39Å; I1221-R1230 HydrophobicContact CG2-CB 4.41Å; I1221-R1230 HydrophobicContact CG2-CG 4.49Å; I1221-R1230 WeakPolarHBondContact O-CG 3.49Å; I1221-R1230 PolarHBondContact O-NE 2.92Å; I1221-A1233 HydrophobicContact CG1-CB 4.05Å; I1221-L1234 HydrophobicContact CD1-CD2 3.93Å; I1221-L1234 HydrophobicContact CD1-CG 4.39Å; I1221-L1234 HydrophobicContact CG2-CD2 4.37Å; I1221-L1234 HydrophobicContact CG2-CG 4.2Å
1222	N	85.8	Confident	86.5	Confident	112 Å²	112	91.3 Å²	91.3	60%	0.599	44%	0.442	S	S	*	.	H	α-helix	trans	-64.7	-34.6	179.1	-70	-24.7	0	0	0	112.4	D1218 K1219 F1224 R1230	D1218-N1222 WeakPolarHBondContact O-CB 3.34Å; D1218-N1222 VanDerWaalsContact O-CG 3.25Å; D1218-N1222 PolarHBondContact O-N 3.16Å; D1218-N1222 PolarHBondContact O-ND2 2.91Å; K1219-N1222 PolarHBondContact O-N 3.28Å; N1222-F1224 VanDerWaalsContact C-N 3.3Å; N1222-F1224 PolarHBondContact O-N 3.18Å; N1222-R1230 PolarHBondContact O-NH2 3.33Å
1223	E	83.6	Confident	86.4	Confident	117 Å²	117	83.9 Å²	83.9	55%	0.547	41%	0.408	S	S	.	.	H	α-helix	trans	-69.7	-20.7	177.7	-74.6	170.8	-179.6	0	0	113.9	K1219 Q1220 I1221 K1225	K1219-E1223 WeakPolarHBondContact CE-OE1 3.23Å; K1219-E1223 WeakPolarHBondContact CG-OE1 3.36Å; K1219-E1223 VanDerWaalsContact O-CG 3.29Å; K1219-E1223 WeakPolarHBondContact O-CG 3.46Å; K1219-E1223 PolarHBondContact O-N 3.32Å; Q1220-E1223 PolarHBondContact O-N 3Å; I1221-E1223 VanDerWaalsContact C-N 3.3Å; I1221-E1223 PolarHBondContact O-N 2.76Å; E1223-K1225 PolarHBondContact O-N 3.45Å; E1223-K1225 VanDerWaalsContact O-N 3.12Å
1224	F	81.8	Confident	86.8	Confident	33 Å²	33	82.9 Å²	82.9	15%	0.145	41%	0.409	C	S	.	.			trans	-66.8	114.2	177.1	-67.1	-43.3	0	0	0	111.4	Y1216 Q1220 I1221 N1222 N1226 K1229 R1230 A1233	Y1216-F1224 AromaticContact CD1-CE2 3.89Å; Y1216-F1224 HydrophobicContact CD1-CE2 3.89Å; Y1216-F1224 AromaticContact CD1-CZ 3.86Å; Y1216-F1224 HydrophobicContact CD1-CZ 3.86Å; Y1216-F1224 HydrophobicContact CE1-CE2 4.01Å; Y1216-F1224 AromaticContact CE1-CZ 3.71Å; Y1216-F1224 HydrophobicContact CE1-CZ 3.71Å; Q1220-F1224 VanDerWaalsContact O-CD2 3.31Å; Q1220-F1224 WeakPolarHBondContact O-CD2 3.47Å; Q1220-F1224 WeakPolarHBondContact O-CE2 3.48Å; Q1220-F1224 WeakPolarHBondContact O-CG 3.27Å; Q1220-F1224 PolarHBondContact O-N 3.17Å; I1221-F1224 PolarHBondContact O-N 3.39Å; N1222-F1224 VanDerWaalsContact C-N 3.3Å; N1222-F1224 PolarHBondContact O-N 3.18Å; F1224-N1226 VanDerWaalsContact C-N 3.28Å; F1224-N1226 PolarHBondContact O-N 2.94Å; F1224-K1229 HydrophobicContact CB-CB 4.48Å; F1224-K1229 HydrophobicContact CB-CD 4.48Å; F1224-K1229 HydrophobicContact CB-CG 4.5Å; F1224-K1229 HydrophobicContact CD1-CD 3.56Å; F1224-K1229 HydrophobicContact CD1-CG 4.11Å; F1224-K1229 HydrophobicContact CD2-CD 4.46Å; F1224-K1229 HydrophobicContact CD2-CG 4.11Å; F1224-K1229 HydrophobicContact CE1-CD 3.84Å; F1224-K1229 HydrophobicContact CE1-CG 4.39Å; F1224-K1229 HydrophobicContact CE2-CG 4.39Å; F1224-K1229 HydrophobicContact CG-CB 4.48Å; F1224-K1229 HydrophobicContact CG-CD 3.92Å; F1224-K1229 HydrophobicContact CG-CG 3.99Å; F1224-K1229 HydrophobicContact CZ-CD 4.4Å; F1224-R1230 HydrophobicContact CB-CG 3.8Å; F1224-R1230 PolarHBondContact O-NE 3.4Å; F1224-R1230 PolarHBondContact O-NH2 3.06Å; F1224-R1230 VanDerWaalsContact O-NH2 3.09Å; F1224-A1233 HydrophobicContact CD2-CB 4.37Å; F1224-A1233 HydrophobicContact CE2-CB 3.92Å
1225	K	80.9	Confident	87	Confident	207 Å²	207	84.3 Å²	84.3	90%	0.9	42%	0.422	S	S	*	.	S	Bend	trans	-66	-26.5	176.9	-62.5	-178.3	-179.8	178.6	0	113.8	E1223	E1223-K1225 PolarHBondContact O-N 3.45Å; E1223-K1225 VanDerWaalsContact O-N 3.12Å
1226	N	83.6	Confident	87.2	Confident	98 Å²	98	83.2 Å²	83.2	52%	0.524	41%	0.411	S	S	.	.			trans	-91.7	119.1	-177.1	-176.8	-18.4	0	0	0	111.3	F1224 K1228 K1229 R1230	F1224-N1226 VanDerWaalsContact C-N 3.28Å; F1224-N1226 PolarHBondContact O-N 2.94Å; N1226-K1228 VanDerWaalsContact C-N 3.3Å; N1226-K1228 PolarHBondContact O-N 3.27Å; N1226-K1228 WeakPolarHBondContact OD1-CB 3.27Å; N1226-K1228 PolarHBondContact OD1-N 3.34Å; N1226-K1229 HydrophobicContact CB-CB 4.13Å; N1226-K1229 WeakPolarHBondContact O-CB 3.47Å; N1226-K1229 PolarHBondContact O-N 3.26Å; N1226-R1230 PolarHBondContact O-N 3.18Å; N1226-R1230 VanDerWaalsContact O-N 3.13Å
1227	G	85.4	Confident	87.5	Confident	49 Å²	49	83 Å²	83	51%	0.505	41%	0.412	S	S	.	.	H	α-helix	trans	-56.4	-37.9	178.2	0	0	0	0	0	114.2	K1229 R1230 E1231	G1227-K1229 VanDerWaalsContact C-N 3.32Å; G1227-K1229 PolarHBondContact O-N 3.03Å; G1227-R1230 WeakPolarHBondContact O-CB 3.47Å; G1227-R1230 PolarHBondContact O-N 3.19Å; G1227-E1231 PolarHBondContact O-N 3.42Å
1228	K	87	Confident	87.9	Confident	139 Å²	139	86.9 Å²	86.9	60%	0.604	42%	0.419	S	S	*	.	H	α-helix	trans	-63.6	-37.8	176.6	-173.7	177.8	-179.8	177.6	0	112	N1226 E1231 Q1232	N1226-K1228 VanDerWaalsContact C-N 3.3Å; N1226-K1228 PolarHBondContact O-N 3.27Å; N1226-K1228 WeakPolarHBondContact OD1-CB 3.27Å; N1226-K1228 PolarHBondContact OD1-N 3.34Å; K1228-E1231 PolarHBondContact O-N 2.87Å; K1228-Q1232 WeakPolarHBondContact O-CB 3.17Å; K1228-Q1232 VanDerWaalsContact O-CG 3.28Å; K1228-Q1232 WeakPolarHBondContact O-CG 3.37Å; K1228-Q1232 PolarHBondContact O-N 3.18Å
1229	K	85.1	Confident	88.3	Confident	95 Å²	95	82.4 Å²	82.4	41%	0.413	39%	0.394	S	S	.	.	H	α-helix	trans	-70.2	-37.7	177.9	-168.2	174.9	-177	-177.2	0	111.3	F1224 N1226 G1227 Q1232 A1233	F1224-K1229 HydrophobicContact CB-CB 4.48Å; F1224-K1229 HydrophobicContact CB-CD 4.48Å; F1224-K1229 HydrophobicContact CB-CG 4.5Å; F1224-K1229 HydrophobicContact CD1-CD 3.56Å; F1224-K1229 HydrophobicContact CD1-CG 4.11Å; F1224-K1229 HydrophobicContact CD2-CD 4.46Å; F1224-K1229 HydrophobicContact CD2-CG 4.11Å; F1224-K1229 HydrophobicContact CE1-CD 3.84Å; F1224-K1229 HydrophobicContact CE1-CG 4.39Å; F1224-K1229 HydrophobicContact CE2-CG 4.39Å; F1224-K1229 HydrophobicContact CG-CB 4.48Å; F1224-K1229 HydrophobicContact CG-CD 3.92Å; F1224-K1229 HydrophobicContact CG-CG 3.99Å; F1224-K1229 HydrophobicContact CZ-CD 4.4Å; N1226-K1229 HydrophobicContact CB-CB 4.13Å; N1226-K1229 WeakPolarHBondContact O-CB 3.47Å; N1226-K1229 PolarHBondContact O-N 3.26Å; G1227-K1229 VanDerWaalsContact C-N 3.32Å; G1227-K1229 PolarHBondContact O-N 3.03Å; K1229-Q1232 PolarHBondContact O-N 3.41Å; K1229-A1233 WeakPolarHBondContact O-CB 3.46Å; K1229-A1233 PolarHBondContact O-N 3.03Å
1230	R	87.7	Confident	88.6	Confident	104 Å²	104	75.7 Å²	75.7	39%	0.392	37%	0.366	S	S	.	.	H	α-helix	trans	-59.3	-48	171.4	-67.2	-173.7	176.5	163.2	1.5	111.3	I1221 N1222 F1224 N1226 G1227 A1233 L1234	I1221-R1230 HydrophobicContact CG2-CB 4.41Å; I1221-R1230 HydrophobicContact CG2-CG 4.49Å; I1221-R1230 WeakPolarHBondContact O-CG 3.49Å; I1221-R1230 PolarHBondContact O-NE 2.92Å; N1222-R1230 PolarHBondContact O-NH2 3.33Å; F1224-R1230 HydrophobicContact CB-CG 3.8Å; F1224-R1230 PolarHBondContact O-NE 3.4Å; F1224-R1230 PolarHBondContact O-NH2 3.06Å; F1224-R1230 VanDerWaalsContact O-NH2 3.09Å; N1226-R1230 PolarHBondContact O-N 3.18Å; N1226-R1230 VanDerWaalsContact O-N 3.13Å; G1227-R1230 WeakPolarHBondContact O-CB 3.47Å; G1227-R1230 PolarHBondContact O-N 3.19Å; R1230-A1233 PolarHBondContact O-N 3.22Å; R1230-L1234 PolarHBondContact O-N 3.12Å; R1230-L1234 WeakPolarHBondContact O-CG 3.29Å
1231	E	90.8	Very high	89.1	Confident	139 Å²	139	75.4 Å²	75.4	65%	0.65	37%	0.372	S	S	*	.	H	α-helix	trans	-63.1	-43.7	179.4	-169.9	-177.8	-177.9	0	0	112.2	G1227 K1228 A1233 L1234 A1235	G1227-E1231 PolarHBondContact O-N 3.42Å; K1228-E1231 PolarHBondContact O-N 2.87Å; E1231-A1233 PolarHBondContact O-N 3.07Å; E1231-L1234 PolarHBondContact O-N 3.34Å; E1231-A1235 WeakPolarHBondContact O-CB 3.49Å; E1231-A1235 PolarHBondContact O-N 3.14Å; E1231-A1235 VanDerWaalsContact O-CB 3.28Å
1232	Q	89.7	Confident	89.4	Confident	78 Å²	78	80.4 Å²	80.4	36%	0.364	40%	0.399	S	S	.	.	H	α-helix	trans	-60.4	-44.1	174.8	-75.2	173.6	-27.5	0	0	112.3	K1228 K1229 A1235 F1236	K1228-Q1232 WeakPolarHBondContact O-CB 3.17Å; K1228-Q1232 VanDerWaalsContact O-CG 3.28Å; K1228-Q1232 WeakPolarHBondContact O-CG 3.37Å; K1228-Q1232 PolarHBondContact O-N 3.18Å; K1229-Q1232 PolarHBondContact O-N 3.41Å; Q1232-A1235 PolarHBondContact O-N 3.36Å; Q1232-F1236 WeakPolarHBondContact O-CB 3.48Å; Q1232-F1236 PolarHBondContact O-N 3.19Å
1233	A	89.8	Confident	89.8	Confident	2 Å²	2	78.1 Å²	78.1	2%	0.017	39%	0.386	C	S	.	.	H	α-helix	trans	-63	-43.9	177.4	0	0	0	0	0	112.2	Y1216 I1221 F1224 K1229 R1230 E1231 F1236 N1237	Y1216-A1233 HydrophobicContact CD1-CB 4.27Å; Y1216-A1233 HydrophobicContact CD2-CB 3.44Å; Y1216-A1233 VanDerWaalsContact CD2-CB 3.44Å; Y1216-A1233 HydrophobicContact CE2-CB 3.71Å; Y1216-A1233 HydrophobicContact CG-CB 3.73Å; I1221-A1233 HydrophobicContact CG1-CB 4.05Å; F1224-A1233 HydrophobicContact CD2-CB 4.37Å; F1224-A1233 HydrophobicContact CE2-CB 3.92Å; K1229-A1233 WeakPolarHBondContact O-CB 3.46Å; K1229-A1233 PolarHBondContact O-N 3.03Å; R1230-A1233 PolarHBondContact O-N 3.22Å; E1231-A1233 PolarHBondContact O-N 3.07Å; A1233-F1236 PolarHBondContact O-N 3.16Å; A1233-N1237 PolarHBondContact O-N 2.89Å
1234	L	93.2	Very high	90.3	Very high	66 Å²	66	73.5 Å²	73.5	35%	0.346	37%	0.367	S	S	.	.	H	α-helix	trans	-63.8	-42.4	174.3	-72.7	168.9	0	0	0	111.7	I1221 R1230 E1231 F1236 N1237 R1238	I1221-L1234 HydrophobicContact CD1-CD2 3.93Å; I1221-L1234 HydrophobicContact CD1-CG 4.39Å; I1221-L1234 HydrophobicContact CG2-CD2 4.37Å; I1221-L1234 HydrophobicContact CG2-CG 4.2Å; R1230-L1234 PolarHBondContact O-N 3.12Å; R1230-L1234 WeakPolarHBondContact O-CG 3.29Å; E1231-L1234 PolarHBondContact O-N 3.34Å; L1234-F1236 VanDerWaalsContact C-N 3.33Å; L1234-F1236 PolarHBondContact O-N 3Å; L1234-N1237 PolarHBondContact O-N 3.31Å; L1234-R1238 WeakPolarHBondContact O-CB 3.21Å; L1234-R1238 PolarHBondContact O-N 3.07Å; L1234-R1238 WeakPolarHBondContact O-CG 3.25Å; L1234-R1238 VanDerWaalsContact O-CG 3.25Å
1235	A	93.6	Very high	90.7	Very high	35 Å²	35	80.7 Å²	80.7	29%	0.289	40%	0.398	S	S	.	.	H	α-helix	trans	-63	-39.4	177.4	0	0	0	0	0	111.9	E1231 Q1232 R1238 L1239	E1231-A1235 WeakPolarHBondContact O-CB 3.49Å; E1231-A1235 PolarHBondContact O-N 3.14Å; E1231-A1235 VanDerWaalsContact O-CB 3.28Å; Q1232-A1235 PolarHBondContact O-N 3.36Å; A1235-R1238 PolarHBondContact O-N 2.89Å; A1235-L1239 WeakPolarHBondContact O-CB 3.4Å; A1235-L1239 PolarHBondContact O-N 3.24Å
1236	F	94.3	Very high	91.2	Very high	0 Å²	0	76 Å²	76	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-64.2	-49.6	174.5	-179.1	-118.1	0	0	0	111.9	Y1065 F1070 V1210 F1214 Y1216 Q1232 A1233 L1234 R1238 L1239 L1240	Y1065-F1236 VanDerWaalsContact CB-CD2 3.49Å; Y1065-F1236 HydrophobicContact CD1-CB 3.98Å; Y1065-F1236 AromaticContact CD1-CD2 3.88Å; Y1065-F1236 HydrophobicContact CD1-CD2 3.88Å; Y1065-F1236 HydrophobicContact CD1-CG 4.15Å; Y1065-F1236 AromaticContact CD2-CD2 3.6Å; Y1065-F1236 HydrophobicContact CD2-CD2 3.6Å; Y1065-F1236 HydrophobicContact CD2-CE2 4.28Å; Y1065-F1236 HydrophobicContact CE1-CB 3.97Å; Y1065-F1236 HydrophobicContact CE2-CD2 4.28Å; Y1065-F1236 HydrophobicContact CG-CB 4.32Å; Y1065-F1236 AromaticContact CG-CD2 3.38Å; Y1065-F1236 HydrophobicContact CG-CD2 3.38Å; Y1065-F1236 AromaticContact CG-CE2 3.98Å; Y1065-F1236 HydrophobicContact CG-CE2 3.98Å; Y1065-F1236 HydrophobicContact CG-CG 4.12Å; F1070-F1236 HydrophobicContact CE2-CD1 4.04Å; F1070-F1236 AromaticContact CE2-CE1 3.66Å; F1070-F1236 HydrophobicContact CE2-CE1 3.66Å; F1070-F1236 AromaticContact CE2-CZ 3.95Å; F1070-F1236 HydrophobicContact CE2-CZ 3.95Å; F1070-F1236 HydrophobicContact CZ-CD1 4.14Å; F1070-F1236 AromaticContact CZ-CE1 3.88Å; F1070-F1236 HydrophobicContact CZ-CE1 3.88Å; V1210-F1236 HydrophobicContact CG1-CE2 4.46Å; V1210-F1236 HydrophobicContact CG1-CZ 3.78Å; F1214-F1236 HydrophobicContact CB-CE1 4Å; F1214-F1236 HydrophobicContact CB-CZ 4.12Å; F1214-F1236 WeakPolarHBondContact O-CE1 3.46Å; Y1216-F1236 HydrophobicContact CD2-CD1 4.06Å; Y1216-F1236 HydrophobicContact CE2-CB 4.49Å; Y1216-F1236 AromaticContact CE2-CD1 3.97Å; Y1216-F1236 HydrophobicContact CE2-CD1 3.97Å; Q1232-F1236 WeakPolarHBondContact O-CB 3.48Å; Q1232-F1236 PolarHBondContact O-N 3.19Å; A1233-F1236 PolarHBondContact O-N 3.16Å; L1234-F1236 VanDerWaalsContact C-N 3.33Å; L1234-F1236 PolarHBondContact O-N 3Å; F1236-R1238 VanDerWaalsContact C-N 3.29Å; F1236-R1238 PolarHBondContact O-N 3.27Å; F1236-L1239 VanDerWaalsContact O-N 3.11Å; F1236-L1239 PolarHBondContact O-N 3.14Å; F1236-L1239 WeakPolarHBondContact O-CB 3.41Å; F1236-L1240 HydrophobicContact CD1-CD1 4.32Å; F1236-L1240 VanDerWaalsContact O-N 3.12Å; F1236-L1240 PolarHBondContact O-N 2.96Å; F1236-L1240 WeakPolarHBondContact O-CG 3.41Å; F1236-L1240 HydrophobicContact CZ-CG 4.29Å; F1236-L1240 HydrophobicContact CZ-CD2 4.33Å; F1236-L1240 HydrophobicContact CZ-CD1 3.82Å; F1236-L1240 HydrophobicContact CE2-CG 4.33Å; F1236-L1240 HydrophobicContact CE2-CD2 4.25Å; F1236-L1240 HydrophobicContact CE2-CD1 4.34Å; F1236-L1240 HydrophobicContact CE1-CD1 3.8Å
1237	N	94.6	Very high	91.6	Very high	35 Å²	35	73.6 Å²	73.6	19%	0.187	37%	0.373	C	S	.	.	H	α-helix	trans	-60	-38.5	176.9	-77.6	4.1	0	0	0	112.3	Y1216 A1233 L1234 L1240 S1241	Y1216-N1237 PolarHBondContact N-OD1 3.36Å; Y1216-N1237 VanDerWaalsContact N-OD1 3.08Å; Y1216-N1237 PolarHBondContact O-ND2 2.83Å; A1233-N1237 PolarHBondContact O-N 2.89Å; L1234-N1237 PolarHBondContact O-N 3.31Å; N1237-L1240 PolarHBondContact O-N 2.66Å; N1237-S1241 PolarHBondContact O-N 3.29Å; N1237-S1241 PolarHBondContact O-OG 3.23Å
1238	R	95.2	Very high	92.1	Very high	158 Å²	158	75.9 Å²	75.9	60%	0.596	38%	0.381	S	S	*	.	H	α-helix	trans	-64.9	-41.5	173.7	-73.1	174.2	-169.2	165	3.3	112.1	L1234 A1235 F1236 L1240 S1241 N1242	L1234-R1238 WeakPolarHBondContact O-CB 3.21Å; L1234-R1238 PolarHBondContact O-N 3.07Å; L1234-R1238 WeakPolarHBondContact O-CG 3.25Å; L1234-R1238 VanDerWaalsContact O-CG 3.25Å; A1235-R1238 PolarHBondContact O-N 2.89Å; F1236-R1238 VanDerWaalsContact C-N 3.29Å; F1236-R1238 PolarHBondContact O-N 3.27Å; R1238-L1240 VanDerWaalsContact C-N 3.28Å; R1238-L1240 PolarHBondContact O-N 3.43Å; R1238-S1241 PolarHBondContact O-N 3.31Å; R1238-S1241 VanDerWaalsContact O-N 3.1Å; R1238-N1242 WeakPolarHBondContact O-CB 3.35Å; R1238-N1242 PolarHBondContact O-N 3.27Å
1239	L	95	Very high	92.5	Very high	28 Å²	28	69.6 Å²	69.6	15%	0.147	35%	0.354	C	S	.	.	H	α-helix	trans	-59.3	-39	177	178.4	66.6	0	0	0	112.1	W1058 K1061 I1062 Y1065 A1235 F1236 S1241	W1058-L1239 PolarHBondContact NE1-O 3.39Å; K1061-L1239 HydrophobicContact CB-CD1 4.35Å; K1061-L1239 HydrophobicContact CB-CD2 3.72Å; K1061-L1239 HydrophobicContact CD-CD1 4.3Å; I1062-L1239 HydrophobicContact CG1-CD2 3.69Å; I1062-L1239 HydrophobicContact CG1-CG 4.05Å; Y1065-L1239 HydrophobicContact CD2-CD2 3.95Å; Y1065-L1239 HydrophobicContact CE2-CD2 3.96Å; A1235-L1239 WeakPolarHBondContact O-CB 3.4Å; A1235-L1239 PolarHBondContact O-N 3.24Å; F1236-L1239 VanDerWaalsContact O-N 3.11Å; F1236-L1239 PolarHBondContact O-N 3.14Å; F1236-L1239 WeakPolarHBondContact O-CB 3.41Å; L1239-S1241 VanDerWaalsContact C-N 3.31Å
1240	L	93.8	Very high	93.1	Very high	6 Å²	6	69.4 Å²	69.4	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-71.3	-26.5	176.6	-60.8	178.9	0	0	0	112.9	I1062 V1210 K1211 F1236 N1237 R1238	I1062-L1240 HydrophobicContact CD1-CD2 3.85Å; I1062-L1240 HydrophobicContact CG1-CD2 4.11Å; V1210-L1240 HydrophobicContact CB-CD2 4Å; V1210-L1240 HydrophobicContact CG1-CD1 3.96Å; V1210-L1240 HydrophobicContact CG1-CD2 3.57Å; V1210-L1240 HydrophobicContact CG1-CG 4.43Å; K1211-L1240 HydrophobicContact CB-CD1 4Å; F1236-L1240 HydrophobicContact CD1-CD1 4.32Å; F1236-L1240 VanDerWaalsContact O-N 3.12Å; F1236-L1240 PolarHBondContact O-N 2.96Å; F1236-L1240 WeakPolarHBondContact O-CG 3.41Å; F1236-L1240 HydrophobicContact CZ-CG 4.29Å; F1236-L1240 HydrophobicContact CZ-CD2 4.33Å; F1236-L1240 HydrophobicContact CZ-CD1 3.82Å; F1236-L1240 HydrophobicContact CE2-CG 4.33Å; F1236-L1240 HydrophobicContact CE2-CD2 4.25Å; F1236-L1240 HydrophobicContact CE2-CD1 4.34Å; F1236-L1240 HydrophobicContact CE1-CD1 3.8Å; N1237-L1240 PolarHBondContact O-N 2.66Å; R1238-L1240 VanDerWaalsContact C-N 3.28Å; R1238-L1240 PolarHBondContact O-N 3.43Å
1241	S	93	Very high	93.5	Very high	74 Å²	74	64.8 Å²	64.8	52%	0.517	34%	0.34	S	S	.	.	H	α-helix	trans	-85.4	-25.5	178.9	-52	0	0	0	0	112.6	N1237 R1238 L1239 L1243	N1237-S1241 PolarHBondContact O-N 3.29Å; N1237-S1241 PolarHBondContact O-OG 3.23Å; R1238-S1241 PolarHBondContact O-N 3.31Å; R1238-S1241 VanDerWaalsContact O-N 3.1Å; L1239-S1241 VanDerWaalsContact C-N 3.31Å; S1241-L1243 PolarHBondContact O-N 3.18Å
1242	N	93.7	Very high	93.7	Very high	114 Å²	114	60.9 Å²	60.9	61%	0.61	33%	0.328	S	S	*	.	S	Bend	trans	-98.3	84.9	-179.2	-69.3	-19.3	0	0	0	111	W1058 R1238	W1058-N1242 PolarHBondContact NE1-O 2.86Å; R1238-N1242 WeakPolarHBondContact O-CB 3.35Å; R1238-N1242 PolarHBondContact O-N 3.27Å
1243	L	93.7	Very high	94	Very high	63 Å²	63	60 Å²	60	33%	0.33	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-66.9	152.9	175.8	-76.6	74.2	0	0	0	111.6	L1203 S1241 K1245	L1203-L1243 HydrophobicContact CB-CD2 4.2Å; S1241-L1243 PolarHBondContact O-N 3.18Å; L1243-K1245 PolarHBondContact O-N 3.11Å
1244	P	93.6	Very high	94.4	Very high	20 Å²	20	59.9 Å²	59.9	13%	0.13	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-53.4	138	170	-25.4	34.8	0	0	0	112	I1055 W1058 L1203 R1246	I1055-P1244 HydrophobicContact CG1-CB 3.88Å; I1055-P1244 HydrophobicContact CG1-CG 4.06Å; W1058-P1244 HydrophobicContact CB-CG 3.72Å; W1058-P1244 HydrophobicContact CD2-CG 3.88Å; W1058-P1244 HydrophobicContact CE3-CG 4.13Å; W1058-P1244 HydrophobicContact CG-CG 3.71Å; L1203-P1244 HydrophobicContact CD1-CG 4.44Å; P1244-R1246 PolarHBondContact O-N 3.38Å
1245	K	90.7	Very high	94.5	Very high	185 Å²	185	60.4 Å²	60.4	80%	0.804	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-63.9	126.7	-178.3	-173.9	177.5	179.2	-178.8	0	110.1	L1243	L1243-K1245 PolarHBondContact O-N 3.11Å
1246	R	90.9	Very high	94.6	Very high	109 Å²	109	64.5 Å²	64.5	41%	0.411	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-78.1	139.7	171.9	-67.8	-177	177.8	-174.1	-0.7	110.4	G940 R941 P1244	G940-R1246 CarbonylContact O-C 3.06Å; G940-R1246 WeakPolarHBondContact O-CA 3.45Å; R941-R1246 HydrophobicContact CB-CB 4.27Å; R941-R1246 HydrophobicContact CG-CB 4.16Å; R941-R1246 HydrophobicContact CG-CG 4.34Å; P1244-R1246 PolarHBondContact O-N 3.38Å
1247	G	93.5	Very high	94.6	Very high	47 Å²	47	64.6 Å²	64.6	49%	0.485	34%	0.336	S	S	.	.			trans	-80.8	-158.6	169	0	0	0	0	0	112.5	G940 R941	G940-G1247 PolarHBondContact O-N 3.45Å; R941-G1247 WeakPolarHBondContact CB-O 3.48Å; R941-G1247 CarbonylContact O-C 3.5Å; R941-G1247 WeakPolarHBondContact O-CA 3.42Å
1248	S	94.8	Very high	94.5	Very high	97 Å²	97	67.8 Å²	67.8	68%	0.678	35%	0.35	S	S	*	.	S	Bend	trans	-110	10.9	-171.3	64.8	0	0	0	0	114.8	R941 D1250	R941-S1248 PolarHBondContact O-N 2.72Å; S1248-D1250 PolarHBondContact O-N 2.73Å
1249	F	96.1	Very high	94.4	Very high	7 Å²	7	60.8 Å²	60.8	3%	0.031	32%	0.324	C	S	.	.			trans	-65.7	123.7	176.9	177.6	-131.6	0	0	0	110.7	R941 L943 A946 L951 T952 L1251 E1253 V1254	R941-F1249 HydrophobicContact CB-CB 4.22Å; R941-F1249 WeakPolarHBondContact CD-O 3.3Å; R941-F1249 VanDerWaalsContact O-CB 3.28Å; R941-F1249 WeakPolarHBondContact O-CB 3.19Å; R941-F1249 PolarHBondContact O-N 3.01Å; L943-F1249 HydrophobicContact CB-CB 4.2Å; L943-F1249 HydrophobicContact CD1-CD2 3.98Å; A946-F1249 HydrophobicContact CB-CD1 3.94Å; A946-F1249 HydrophobicContact CB-CD2 3.72Å; A946-F1249 HydrophobicContact CB-CE1 3.96Å; A946-F1249 HydrophobicContact CB-CE2 3.76Å; A946-F1249 HydrophobicContact CB-CG 3.84Å; A946-F1249 HydrophobicContact CB-CZ 3.88Å; L951-F1249 HydrophobicContact CB-CE1 4.26Å; L951-F1249 HydrophobicContact CB-CZ 3.76Å; L951-F1249 HydrophobicContact CD1-CE1 4.17Å; L951-F1249 HydrophobicContact CD1-CZ 4.49Å; T952-F1249 HydrophobicContact CG2-CD2 4.25Å; T952-F1249 HydrophobicContact CG2-CE2 3.69Å; F1249-L1251 HydrophobicContact CD1-CD2 4.23Å; F1249-L1251 HydrophobicContact CE1-CD2 3.82Å; F1249-E1253 HydrophobicContact CE2-CB 4.24Å; F1249-V1254 HydrophobicContact CE1-CG2 4.19Å; F1249-V1254 HydrophobicContact CZ-CG2 3.67Å
1250	D	96.6	Very high	94.2	Very high	90 Å²	90	59.5 Å²	59.5	48%	0.481	32%	0.317	S	S	.	.			trans	-86.2	123	169.6	-178.6	9	0	0	0	109.9	S1248 S1252 E1253	S1248-D1250 PolarHBondContact O-N 2.73Å; D1250-S1252 VanDerWaalsContact CG-OG 3.24Å; D1250-S1252 PolarHBondContact O-N 2.73Å; D1250-S1252 PolarHBondContact OD1-N 3Å; D1250-S1252 PolarHBondContact OD1-OG 3.19Å; D1250-S1252 PolarHBondContact OD2-OG 3.43Å; D1250-E1253 HydrophobicContact CB-CG 4.44Å; D1250-E1253 PolarHBondContact O-N 2.81Å; D1250-E1253 WeakPolarHBondContact O-CB 3.41Å
1251	L	96.6	Very high	94.1	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.042	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-63.3	-26.3	177.6	-72.4	-174.7	0	0	0	113.2	A938 R941 I1195 H1198 F1249 E1253 V1254	A938-L1251 HydrophobicContact CB-CD2 4.05Å; R941-L1251 VanDerWaalsContact CZ-CG 3.47Å; I1195-L1251 WeakPolarHBondContact CG1-O 3.28Å; H1198-L1251 HydrophobicContact CB-CD1 3.78Å; H1198-L1251 HydrophobicContact CB-CD2 4.11Å; H1198-L1251 WeakPolarHBondContact O-CD1 3.18Å; F1249-L1251 HydrophobicContact CD1-CD2 4.23Å; F1249-L1251 HydrophobicContact CE1-CD2 3.82Å; L1251-E1253 PolarHBondContact O-N 3.42Å; L1251-E1253 VanDerWaalsContact O-N 3.14Å; L1251-V1254 WeakPolarHBondContact O-CB 3.37Å; L1251-V1254 WeakPolarHBondContact O-CG2 3.2Å; L1251-V1254 PolarHBondContact O-N 2.95Å
1252	S	96.1	Very high	93.4	Very high	56 Å²	56	57 Å²	57	39%	0.392	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-60.3	-25.8	-178.7	83.2	0	0	0	0	112.1	D1250 V1254 M1255	D1250-S1252 VanDerWaalsContact CG-OG 3.24Å; D1250-S1252 PolarHBondContact O-N 2.73Å; D1250-S1252 PolarHBondContact OD1-N 3Å; D1250-S1252 PolarHBondContact OD1-OG 3.19Å; D1250-S1252 PolarHBondContact OD2-OG 3.43Å; S1252-V1254 PolarHBondContact O-N 3.38Å; S1252-M1255 VanDerWaalsContact O-N 3.17Å; S1252-M1255 PolarHBondContact O-N 2.95Å; S1252-M1255 WeakPolarHBondContact O-CB 3.49Å
1253	E	95.9	Very high	93.3	Very high	59 Å²	59	54.1 Å²	54.1	28%	0.276	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-65.2	-22.1	176.6	-69.1	-62.7	119	0	0	113.4	F1249 D1250 L1251 M1255 K1256 A1257	F1249-E1253 HydrophobicContact CE2-CB 4.24Å; D1250-E1253 HydrophobicContact CB-CG 4.44Å; D1250-E1253 PolarHBondContact O-N 2.81Å; D1250-E1253 WeakPolarHBondContact O-CB 3.41Å; L1251-E1253 PolarHBondContact O-N 3.42Å; L1251-E1253 VanDerWaalsContact O-N 3.14Å; E1253-M1255 PolarHBondContact O-N 3.03Å; E1253-K1256 PolarHBondContact O-N 2.92Å; E1253-K1256 IonicContact OE1-NZ 2.83Å; E1253-K1256 PolarHBondContact OE1-NZ 3.2Å; E1253-K1256 IonicContact OE2-NZ 2.71Å; E1253-A1257 PolarHBondContact O-N 3.32Å
1254	V	96.7	Very high	93.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-60.8	-32.4	175	-179.9	0	0	0	0	110.8	L951 R1191 F1194 I1195 F1249 L1251 S1252 K1256 A1257 F1260	L951-V1254 HydrophobicContact CB-CG2 4.29Å; L951-V1254 HydrophobicContact CD2-CG1 4.29Å; L951-V1254 HydrophobicContact CD2-CG2 4Å; L951-V1254 WeakPolarHBondContact O-CA 3.08Å; L951-V1254 WeakPolarHBondContact O-CG2 3.47Å; R1191-V1254 HydrophobicContact CB-CG1 4.23Å; R1191-V1254 WeakPolarHBondContact CD-O 3.48Å; R1191-V1254 HydrophobicContact CG-CG1 4.13Å; R1191-V1254 WeakPolarHBondContact CG-O 3.43Å; F1194-V1254 HydrophobicContact CD1-CG1 4.14Å; F1194-V1254 HydrophobicContact CD1-CG2 4.34Å; F1194-V1254 HydrophobicContact CE1-CG2 4.45Å; I1195-V1254 HydrophobicContact CD1-CB 3.87Å; I1195-V1254 HydrophobicContact CD1-CG1 4.37Å; I1195-V1254 HydrophobicContact CG1-CB 3.85Å; I1195-V1254 HydrophobicContact CG1-CG1 4.28Å; I1195-V1254 HydrophobicContact CG1-CG2 4.44Å; F1249-V1254 HydrophobicContact CE1-CG2 4.19Å; F1249-V1254 HydrophobicContact CZ-CG2 3.67Å; L1251-V1254 WeakPolarHBondContact O-CB 3.37Å; L1251-V1254 WeakPolarHBondContact O-CG2 3.2Å; L1251-V1254 PolarHBondContact O-N 2.95Å; S1252-V1254 PolarHBondContact O-N 3.38Å; V1254-K1256 PolarHBondContact O-N 3.39Å; V1254-K1256 VanDerWaalsContact O-N 3.16Å; V1254-A1257 PolarHBondContact O-N 2.67Å; V1254-A1257 WeakPolarHBondContact O-CB 3.26Å; V1254-A1257 VanDerWaalsContact O-CB 3.29Å; V1254-F1260 HydrophobicContact CG1-CG 4.47Å
1255	M	96.4	Very high	93.3	Very high	77 Å²	77	55.5 Å²	55.5	38%	0.379	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-59.2	-28.4	176.5	-75.1	-50.8	-66.1	0	0	113.1	R1188 R1191 E1192 I1195 S1252 E1253	R1188-M1255 HydrophobicContact CG-CE 4.4Å; R1191-M1255 HydrophobicContact CB-SD 3.81Å; R1191-M1255 WeakPolarHBondContact CD-O 3.02Å; E1192-M1255 HydrophobicContact CG-CE 3.83Å; E1192-M1255 HydrophobicContact CG-SD 3.87Å; I1195-M1255 HydrophobicContact CD1-CB 4.32Å; I1195-M1255 HydrophobicContact CD1-CG 3.37Å; I1195-M1255 HydrophobicContact CD1-SD 3.52Å; I1195-M1255 VanDerWaalsContact CD1-SD 3.52Å; S1252-M1255 VanDerWaalsContact O-N 3.17Å; S1252-M1255 PolarHBondContact O-N 2.95Å; S1252-M1255 WeakPolarHBondContact O-CB 3.49Å; E1253-M1255 PolarHBondContact O-N 3.03Å
1256	K	95.4	Very high	93.5	Very high	122 Å²	122	47.9 Å²	47.9	53%	0.53	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-94.8	-0.7	-179.6	-55.2	172.9	-170.3	159.3	0	112.6	S953 E1253 V1254 E1258	S953-K1256 WeakPolarHBondContact CB-O 3.36Å; S953-K1256 PolarHBondContact OG-O 2.84Å; E1253-K1256 PolarHBondContact O-N 2.92Å; E1253-K1256 IonicContact OE1-NZ 2.83Å; E1253-K1256 PolarHBondContact OE1-NZ 3.2Å; E1253-K1256 IonicContact OE2-NZ 2.71Å; V1254-K1256 PolarHBondContact O-N 3.39Å; V1254-K1256 VanDerWaalsContact O-N 3.16Å; K1256-E1258 PolarHBondContact O-N 2.93Å; K1256-E1258 VanDerWaalsContact O-N 3.16Å
1257	A	94.7	Very high	93.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	25%	0.251	C	S	.	.			trans	-82.5	90.5	-178.8	0	0	0	0	0	110.5	N950 R1191 E1253 V1254 Y1259 F1260	N950-A1257 WeakPolarHBondContact O-CB 3.44Å; R1191-A1257 PolarHBondContact NH1-O 2.88Å; E1253-A1257 PolarHBondContact O-N 3.32Å; V1254-A1257 PolarHBondContact O-N 2.67Å; V1254-A1257 WeakPolarHBondContact O-CB 3.26Å; V1254-A1257 VanDerWaalsContact O-CB 3.29Å; A1257-Y1259 VanDerWaalsContact C-N 3.32Å; A1257-Y1259 PolarHBondContact O-N 3.2Å; A1257-F1260 HydrophobicContact CB-CB 4.09Å; A1257-F1260 WeakPolarHBondContact O-CB 3.29Å; A1257-F1260 PolarHBondContact O-N 3.44Å
1258	E	91.5	Very high	93.6	Very high	103 Å²	103	43.9 Å²	43.9	48%	0.481	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-44.8	179.4	-172.7	174.8	180	0	0	112	H861 K1256 F1260	H861-E1258 IonicContact CD2-OE1 2.73Å; H861-E1258 PolarHBondContact CD2-OE1 3.36Å; K1256-E1258 PolarHBondContact O-N 2.93Å; K1256-E1258 VanDerWaalsContact O-N 3.16Å; E1258-F1260 VanDerWaalsContact C-N 3.34Å; E1258-F1260 PolarHBondContact O-N 3.23Å
1259	Y	92.7	Very high	93.5	Very high	10 Å²	10	40.1 Å²	40.1	4%	0.039	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	17.5	-176.1	-50.4	-66.2	0	0	0	114.9	T860 H861 N950 M954 N955 P957 A1257 F1261	T860-Y1259 WeakPolarHBondContact CA-OH 3.49Å; T860-Y1259 WeakPolarHBondContact CB-OH 3.23Å; T860-Y1259 WeakPolarHBondContact CG2-OH 3.23Å; H861-Y1259 AromaticContact CD2-CE1 3.55Å; H861-Y1259 AromaticContact NE2-CD1 3.64Å; H861-Y1259 AromaticContact NE2-CE1 3.66Å; N950-Y1259 VanDerWaalsContact CB-O 3.26Å; N950-Y1259 WeakPolarHBondContact CB-O 2.93Å; M954-Y1259 WeakPolarHBondContact O-CE2 3.26Å; N955-Y1259 PolarHBondContact O-OH 3.08Å; P957-Y1259 HydrophobicContact CB-CD1 3.98Å; P957-Y1259 HydrophobicContact CB-CD2 4.12Å; P957-Y1259 HydrophobicContact CB-CG 3.75Å; P957-Y1259 HydrophobicContact CG-CD1 4.21Å; P957-Y1259 HydrophobicContact CG-CE1 4.3Å; P957-Y1259 HydrophobicContact CG-CG 4.39Å; A1257-Y1259 VanDerWaalsContact C-N 3.32Å; A1257-Y1259 PolarHBondContact O-N 3.2Å; Y1259-F1261 PolarHBondContact O-N 3.25Å
1260	F	92.3	Very high	93.3	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	22%	0.217	C	C	.	.	S	Bend	trans	-55.4	-51.1	-179.2	168.3	-128.5	0	0	0	112.1	Q934 N950 L951 H1154 C1190 R1191 F1194 V1254 A1257 E1258	Q934-F1260 PolarHBondContact NE2-O 3.49Å; N950-F1260 VanDerWaalsContact O-CA 3.32Å; N950-F1260 WeakPolarHBondContact O-CA 3.32Å; L951-F1260 HydrophobicContact CD2-CD2 3.56Å; L951-F1260 HydrophobicContact CD2-CE2 3.48Å; L951-F1260 VanDerWaalsContact CD2-CE2 3.48Å; H1154-F1260 AromaticContact CE1-CZ 3.98Å; C1190-F1260 HydrophobicContact CB-CD1 4.35Å; C1190-F1260 HydrophobicContact CB-CE1 4.05Å; R1191-F1260 HydrophobicContact CG-CB 4.43Å; R1191-F1260 HydrophobicContact CG-CD1 3.61Å; R1191-F1260 HydrophobicContact CG-CE1 4.29Å; R1191-F1260 HydrophobicContact CG-CG 4.34Å; F1194-F1260 HydrophobicContact CB-CE1 4.09Å; F1194-F1260 HydrophobicContact CB-CZ 3.79Å; F1194-F1260 HydrophobicContact CD1-CE2 4.49Å; F1194-F1260 HydrophobicContact CD1-CZ 4.22Å; F1194-F1260 HydrophobicContact CD2-CE2 4.13Å; F1194-F1260 AromaticContact CD2-CZ 3.58Å; F1194-F1260 HydrophobicContact CD2-CZ 3.58Å; F1194-F1260 HydrophobicContact CE2-CE2 4.27Å; F1194-F1260 HydrophobicContact CE2-CZ 4.16Å; F1194-F1260 HydrophobicContact CG-CE1 4.38Å; F1194-F1260 HydrophobicContact CG-CE2 4.23Å; F1194-F1260 AromaticContact CG-CZ 3.6Å; F1194-F1260 HydrophobicContact CG-CZ 3.6Å; V1254-F1260 HydrophobicContact CG1-CG 4.47Å; A1257-F1260 HydrophobicContact CB-CB 4.09Å; A1257-F1260 WeakPolarHBondContact O-CB 3.29Å; A1257-F1260 PolarHBondContact O-N 3.44Å; E1258-F1260 VanDerWaalsContact C-N 3.34Å; E1258-F1260 PolarHBondContact O-N 3.23Å
1261	F	90.8	Very high	93.1	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-121.3	133.7	167.7	-86	-124.5	0	0	0	106.2	Q926 D927 H1154 D1174 F1176 Y1259	Q926-F1261 HydrophobicContact CB-CB 4.24Å; Q926-F1261 HydrophobicContact CB-CD1 4.38Å; Q926-F1261 WeakPolarHBondContact O-CD1 3.48Å; D927-F1261 WeakPolarHBondContact O-CA 3.29Å; H1154-F1261 AromaticContact CE1-CE2 3.95Å; H1154-F1261 AromaticContact CE1-CZ 3.84Å; D1174-F1261 WeakPolarHBondContact O-CE1 3.48Å; F1176-F1261 AromaticContact CD2-CD1 3.97Å; F1176-F1261 HydrophobicContact CD2-CD1 3.97Å; F1176-F1261 AromaticContact CD2-CE1 3.44Å; F1176-F1261 HydrophobicContact CD2-CE1 3.44Å; F1176-F1261 VanDerWaalsContact CD2-CE1 3.44Å; F1176-F1261 HydrophobicContact CD2-CZ 4.18Å; F1176-F1261 HydrophobicContact CE2-CD1 4.35Å; F1176-F1261 AromaticContact CE2-CE1 3.45Å; F1176-F1261 HydrophobicContact CE2-CE1 3.45Å; F1176-F1261 VanDerWaalsContact CE2-CE1 3.45Å; F1176-F1261 AromaticContact CE2-CZ 3.73Å; F1176-F1261 HydrophobicContact CE2-CZ 3.73Å; F1176-F1261 HydrophobicContact CG-CE1 4.08Å; F1176-F1261 HydrophobicContact CZ-CE1 4.09Å; F1176-F1261 HydrophobicContact CZ-CZ 4.24Å; Y1259-F1261 PolarHBondContact O-N 3.25Å
1262	S	77.8	Confident	92.8	Very high	26 Å²	26	41.5 Å²	41.5	18%	0.182	21%	0.209	C	C	.	.			trans	-136	0	-171.7	76.3	0	0	0	0	114.8	N851 D927	N851-S1262 PolarHBondContact ND2-OXT 3.12Å; D927-S1262 PolarHBondContact N-O 2.85Å; D927-S1262 VanDerWaalsContact N-O 3.13Å; D927-S1262 PolarHBondContact O-N 2.92Å

Retrieved 1,262 of 1,262 residues in 317.3 ms (Link to these results)

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