A0A087Y7I7_POEFO Loading...

Structural maintenance of chromosomes protein 5

Core component of the SMC5-SMC6 complex, a complex involved in repair of DNA double-strand breaks by homologous recombination. The complex may promote sister chromatid homologous recombination by recruiting the SMC1-SMC3 cohesin complex to double-strand breaks. The complex is required for telomere maintenance via recombination and mediates sumoylation of shelterin complex (telosome) components. Required for sister chromatid cohesion during prometaphase and mitotic progression; the function seems to be independent of SMC6.

AlphaFold DB , UniProt , Accession A0A087Y7I7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,073 aa.

						>A0A087Y7I7_POEFO|A0A087Y7I7
MAEPSKRQRLSHITCGSQTASTSLPRRPEGAGEAGPFVEGSILRITMKNFLTYDYSVVHPGPNLNMIVGANGTGKSSIVCAICLVLAGRTVTLGRGDKVGLYVKRGCQKGFVEIELFKNGGNLVISREIHVENNQSIWMLNGGFSNQKKVEEEVKALQIQVGNLCQFLPQEKVGEFAKMSKIELLEATEKSVGPPEMYEYHCELKNFRNKERELENVVKEKASFLEKAKQRNERNKIDVNRYYEKKRHLDVIELLEKKKPWVEYETARKELEGVKMEREEAKKHLSALRQAQAPMLKKIQQIDDHLKPNEAQMKAKTAAIKEASVKCKQKQDQLDRKHKEIDDIKQNLRLKQTEEDDHQKRINNTRRTIEDLKSELAKISDQPDVTPQINAVNMELRRIQVERAKIEGERADLRREGDNISAESKMLVKKLKDMNNMMNAKEEKLRGRHRDTHAALQWLRKNRGLFEGNVHEPMMLVVNVKTPEFAKYVENHISFHDLRAFVFQRKDDMEKFMTEVRDKMNLKVNSISAPPESCSKRAPSRNIESLRRFGFFTYLREMFDAPDEVMSYLCFQYKVHDVPVGNEQTKALIKTVIEEPYLKVLYTTDERYTVKRSFYSNKISTSNSAVHPSQYLSITVDAEEKRQVEQQMKACESRLREIDERMKALQKEAAALDREENELLSEKKRLSELKGKRRQLEQKISTKQDSLKQMEQNVIDLKKVEEETKEKIKAVNFLKVTIATAIVAQMKLRAKLTMEKVHLALEMAGLTAEKNKLENDCRESASEFKTMEQRCSRLEQRKVQLTEQCKGLLKRAKSNCRMQPDEALSEELRHAFSKLPDTLDEVDAMLNEERSRAECFTGLSESVVEEYNRREQEIKHLEKELQKKTDSLNAYRQNISEAKERWLNPLKQLVEQINDKFSEFFRSMQCAGEVDLHSENEEEYDKYGIRIRVKFHSSTQLHELTPHHQSGGERSVSTMLYLMALQELNRCPFRVVDEINQGMDPVNERRVFDIVVRTACKETTSQYFFITPKLLQNLQYAEEMTILCVHNGPHMLPPNEWDKTAFIRRRLQRKARA
					

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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	31.8	Very low	30.3	Very low	241 Å²	241	159.8 Å²	159.8	100%	1.187	81%	0.807	S	S	*	*				0	144.7	0	-71.3	173	164.2	0	0	107.8
2	A	30.5	Very low	30.1	Very low	93 Å²	93	160.3 Å²	160.3	77%	0.769	80%	0.803	S	S	*	*			trans	43.1	116	169.6	0	0	0	0	0	119
3	E	28.9	Very low	29.9	Very low	180 Å²	180	159 Å²	159	84%	0.841	80%	0.798	S	S	*	*				64.1	153.3	66	-72.8	-147.5	138.3	0	0	116.3
4	P	52.7	Low	29.5	Very low	103 Å²	103	156.2 Å²	156.2	67%	0.669	79%	0.794	S	S	*	*			cis	-144	171.1	-24.5	35.6	-15.7	0	0	0	117.8
5	S	30.8	Very low	29.1	Very low	96 Å²	96	154.7 Å²	154.7	67%	0.671	80%	0.801	S	S	*	*			trans	-16.3	159.1	159.4	68.7	0	0	0	0	124
6	K	28.5	Very low	28.8	Very low	211 Å²	211	149.6 Å²	149.6	92%	0.917	80%	0.798	S	S	*	*				-168.8	176.6	115.1	-103	162.5	-171.7	174.8	0	116
7	R	26.5	Very low	28.5	Very low	219 Å²	219	147.2 Å²	147.2	83%	0.826	80%	0.795	S	S	*	*			trans	-115.4	161.8	-152.4	-83.4	177	165.3	173.2	-4.8	117.2
8	Q	25.5	Very low	28.3	Very low	157 Å²	157	148.5 Å²	148.5	73%	0.734	80%	0.796	S	S	*	*			trans	73.9	155.1	145.8	-80.4	171.2	-1.4	0	0	119.2
9	R	23.8	Very low	28.1	Very low	214 Å²	214	147.7 Å²	147.7	81%	0.808	80%	0.797	S	S	*	*			cis	-166.2	142.3	29.7	-141	175.6	-163.1	-168	3.6	115.8
10	L	27.1	Very low	28	Very low	146 Å²	146	145 Å²	145	76%	0.764	80%	0.796	S	S	*	*			trans	40.6	135	143.4	-72.5	171.5	0	0	0	127.9
11	S	27	Very low	27.7	Very low	98 Å²	98	143.3 Å²	143.3	69%	0.685	79%	0.794	S	S	*	*			trans	75	155	133.5	71.4	0	0	0	0	121.3
12	H	27.8	Very low	27.9	Very low	166 Å²	166	138.8 Å²	138.8	77%	0.769	78%	0.78	S	S	*	*			cis	-169	163	-5.5	-121.5	-44.4	0	0	0	111.8
13	I	27.6	Very low	27.6	Very low	143 Å²	143	139.9 Å²	139.9	73%	0.733	78%	0.782	S	S	*	*			trans	70.8	145.7	149.5	-79.9	167.7	0	0	0	117.7
14	T	24.8	Very low	28	Very low	120 Å²	120	139.3 Å²	139.3	74%	0.736	78%	0.784	S	S	*	*			cis	-152.3	143.7	-5.8	15.3	0	0	0	0	109.5
15	C	22.7	Very low	26.8	Very low	133 Å²	133	140.4 Å²	140.4	90%	0.899	79%	0.791	S	S	*	*				70.5	124.9	90.1	-157.4	0	0	0	0	118.8
16	G	24.3	Very low	26.6	Very low	73 Å²	73	147.4 Å²	147.4	75%	0.753	80%	0.803	S	S	*	*			trans	175.5	148.1	172.8	0	0	0	0	0	110.5
17	S	24.1	Very low	26.9	Very low	109 Å²	109	147.6 Å²	147.6	76%	0.762	80%	0.798	S	S	*	*			trans	-153.2	177.3	-164	66.1	0	0	0	0	116.8
18	Q	25.2	Very low	27	Very low	171 Å²	171	143.2 Å²	143.2	80%	0.799	80%	0.798	S	S	*	*			trans	82.1	98.6	174.6	-60.6	-169.8	9.1	0	0	116.1
19	T	24.7	Very low	27.5	Very low	133 Å²	133	144.2 Å²	144.2	82%	0.816	80%	0.803	S	S	*	*				80.7	137.8	81	53.7	0	0	0	0	115.5
20	A	24.9	Very low	27.5	Very low	94 Å²	94	137.5 Å²	137.5	78%	0.777	80%	0.8	S	S	*	*			cis	-170.6	147.3	-12.2	0	0	0	0	0	112.1
21	S	22.6	Very low	27.5	Very low	109 Å²	109	135.2 Å²	135.2	76%	0.762	80%	0.802	S	S	*	*			trans	-166.6	123.6	151.1	59.8	0	0	0	0	113.6
22	T	35.1	Very low	27.7	Very low	146 Å²	146	134.9 Å²	134.9	90%	0.896	81%	0.814	S	S	*	*			trans	0.7	108.3	160.3	44.3	0	0	0	0	120
23	S	24.6	Very low	27.8	Very low	116 Å²	116	135.9 Å²	135.9	81%	0.811	82%	0.819	S	S	*	*			trans	-157.4	167.7	149.3	57.6	0	0	0	0	111.5
24	L	37.5	Very low	28.2	Very low	169 Å²	169	133.8 Å²	133.8	89%	0.885	82%	0.823	S	S	*	*			trans	-67.8	134.6	-177.2	-69.7	158	0	0	0	113
25	P	27.7	Very low	29.5	Very low	125 Å²	125	130.1 Å²	130.1	81%	0.812	81%	0.81	S	S	*	*			trans	-86.4	142.3	165.8	33	-31.4	0	0	0	112.5
26	R	26.6	Very low	31.8	Very low	243 Å²	243	128.6 Å²	128.6	92%	0.917	80%	0.798	S	S	*	*			trans	-79.9	174.9	171.1	-77.3	173.3	163.6	169.6	-6.9	111.7
27	R	35.7	Very low	34.6	Very low	215 Å²	215	127.4 Å²	127.4	81%	0.811	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-46.7	141.9	162.4	-67.6	177.1	174.5	173.5	-4	111.3
28	P	28.6	Very low	37.5	Very low	128 Å²	128	125.6 Å²	125.6	83%	0.831	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-76	131.4	151.1	32.1	-29.3	0	0	0	109.5
29	E	34.7	Very low	40.4	Very low	178 Å²	178	121 Å²	121	83%	0.832	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-102.6	127.7	159.4	-71.5	-176.7	156	0	0	107.8
30	G	25.1	Very low	43.4	Very low	73 Å²	73	114.7 Å²	114.7	75%	0.753	70%	0.696	S	S	*	*			trans	163.1	121.6	179.5	0	0	0	0	0	112.2
31	A	26.4	Very low	46.6	Very low	97 Å²	97	110.2 Å²	110.2	80%	0.802	66%	0.659	S	S	*	*			trans	35.3	101.6	167.8	0	0	0	0	0	117.4	E33	A31-E33 PolarHBondContact O-N 3.04Å
32	G	30.5	Very low	49.9	Very low	91 Å²	91	105 Å²	105	94%	0.938	62%	0.623	S	S	*	*			trans	-72.8	93	172.9	0	0	0	0	0	113
33	E	29.5	Very low	52.6	Low	187 Å²	187	99.7 Å²	99.7	87%	0.874	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-72.6	131.1	157.6	-66.4	-175	148.1	0	0	109.1	A31 G35	A31-E33 PolarHBondContact O-N 3.04Å; E33-G35 PolarHBondContact O-N 3.49Å
34	A	36.1	Very low	56	Low	99 Å²	99	96.7 Å²	96.7	82%	0.818	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-73.4	125.6	177	0	0	0	0	0	109.8
35	G	52.8	Low	58.7	Low	44 Å²	44	88.7 Å²	88.7	45%	0.454	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-66.4	162.2	176.9	0	0	0	0	0	112.7	E33 F37	E33-G35 PolarHBondContact O-N 3.49Å; G35-F37 PolarHBondContact O-N 3.34Å
36	P	71.9	Confident	61.8	Low	100 Å²	100	83.1 Å²	83.1	65%	0.649	48%	0.481	S	S	*	.	S	Bend	trans	-72.5	18.5	-171.8	31.8	-38.8	0	0	0	115.2	P62	P36-P62 HydrophobicContact CB-CB 4.2Å; P36-P62 HydrophobicContact CB-CG 4.21Å; P36-P62 HydrophobicContact CG-CB 4.24Å; P36-P62 HydrophobicContact CG-CG 3.99Å; P36-P62 WeakPolarHBondContact O-CB 3.37Å
37	F	81.6	Confident	65	Low	49 Å²	49	71.6 Å²	71.6	22%	0.215	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-100.5	132.2	-178.8	-71.7	-90.2	0	0	0	111	G35 L43 P62 F117	G35-F37 PolarHBondContact O-N 3.34Å; F37-L43 HydrophobicContact CB-CD2 4.4Å; F37-L43 HydrophobicContact CD1-CD2 3.65Å; F37-L43 HydrophobicContact CD2-CD2 3.88Å; F37-L43 HydrophobicContact CE1-CD2 3.73Å; F37-L43 HydrophobicContact CE2-CD2 3.97Å; F37-L43 HydrophobicContact CG-CD2 3.71Å; F37-L43 HydrophobicContact CZ-CD2 3.89Å; F37-P62 HydrophobicContact CD1-CB 3.98Å; F37-P62 HydrophobicContact CD2-CB 4.37Å; F37-P62 VanDerWaalsContact CE1-CA 3.48Å; F37-P62 HydrophobicContact CE1-CB 3.96Å; F37-P62 HydrophobicContact CE2-CB 4.33Å; F37-P62 HydrophobicContact CG-CB 4.21Å; F37-P62 HydrophobicContact CZ-CB 4.14Å; F37-F117 HydrophobicContact CB-CB 4.39Å; F37-F117 HydrophobicContact CB-CD1 3.95Å; F37-F117 HydrophobicContact CB-CE1 4.48Å; F37-F117 HydrophobicContact CB-CG 4.14Å; F37-F117 WeakPolarHBondContact O-CD1 3.42Å; F37-F117 WeakPolarHBondContact O-CE1 2.9Å
38	V	85.6	Confident	67.7	Low	71 Å²	71	66.6 Å²	66.6	43%	0.43	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-74.7	145.2	172.1	-176.2	0	0	0	0	109.3	G40 S41	V38-G40 PolarHBondContact O-N 3.13Å; V38-S41 PolarHBondContact N-OG 3.36Å; V38-S41 WeakPolarHBondContact O-CB 3.48Å; V38-S41 PolarHBondContact O-N 3.41Å; V38-S41 PolarHBondContact O-OG 3.19Å
39	E	86.9	Confident	70.7	Confident	74 Å²	74	62.7 Å²	62.7	35%	0.346	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	130	174.1	179.3	148.8	-133.1	0	0	111.2	K118 N119 L157 P988	E39-K118 WeakPolarHBondContact OE1-CG 3.24Å; E39-N119 VanDerWaalsContact CD-ND2 3.27Å; E39-N119 PolarHBondContact OE1-N 3Å; E39-N119 PolarHBondContact OE2-ND2 2.98Å; E39-L157 HydrophobicContact CG-CD2 3.75Å; E39-P988 WeakPolarHBondContact O-CB 2.7Å
40	G	87.9	Confident	73.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-4	-170.9	0	0	0	0	0	115.6	V38 F117	V38-G40 PolarHBondContact O-N 3.13Å; G40-F117 PolarHBondContact N-O 2.76Å
41	S	90.7	Very high	76.4	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.007	33%	0.328	C	S	.	.			trans	-66.2	149.5	175.4	-58.6	0	0	0	0	112.4	V38 L116 F117	V38-S41 PolarHBondContact N-OG 3.36Å; V38-S41 WeakPolarHBondContact O-CB 3.48Å; V38-S41 PolarHBondContact O-N 3.41Å; V38-S41 PolarHBondContact O-OG 3.19Å; S41-L116 CarbonylContact O-C 3.55Å; S41-L116 WeakPolarHBondContact O-CA 3.5Å; S41-F117 PolarHBondContact O-N 3.37Å
42	I	93.4	Very high	79.2	Confident	0 Å²	0	50 Å²	50	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	119.3	177.9	-59.5	171.9	0	0	0	110.2	I45 P60 I82 I114 L116 F989 Q1022 F1024	I42-I45 HydrophobicContact CG2-CD1 4.02Å; I42-I45 HydrophobicContact CG2-CG1 3.56Å; I42-P60 HydrophobicContact CG2-CG 4.16Å; I42-I82 HydrophobicContact CD1-CD1 4.12Å; I42-I82 HydrophobicContact CD1-CG1 4.05Å; I42-I82 HydrophobicContact CD1-CG2 3.97Å; I42-I114 HydrophobicContact CG1-CG2 4.24Å; I42-I114 HydrophobicContact CG2-CG2 3.87Å; I42-L116 HydrophobicContact CG1-CD2 3.72Å; I42-F989 HydrophobicContact CD1-CD1 4.14Å; I42-F989 HydrophobicContact CD1-CD2 4.1Å; I42-F989 HydrophobicContact CD1-CE1 4.05Å; I42-F989 HydrophobicContact CD1-CE2 4.03Å; I42-F989 HydrophobicContact CD1-CG 4.19Å; I42-F989 HydrophobicContact CD1-CZ 4.02Å; I42-F989 HydrophobicContact CG1-CD1 4.06Å; I42-F989 HydrophobicContact CG1-CE1 4.17Å; I42-F989 HydrophobicContact CG1-CG 4.4Å; I42-Q1022 PolarHBondContact O-NE2 3.43Å; I42-F1024 HydrophobicContact CB-CE2 4.49Å; I42-F1024 HydrophobicContact CB-CZ 4.17Å; I42-F1024 HydrophobicContact CD1-CE2 3.98Å; I42-F1024 HydrophobicContact CD1-CZ 4.18Å
43	L	91.8	Very high	81.9	Confident	33 Å²	33	47 Å²	47	17%	0.173	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-32.9	179	-61.9	176.1	0	0	0	113	F37 P60 E115 F117 N122	F37-L43 HydrophobicContact CB-CD2 4.4Å; F37-L43 HydrophobicContact CD1-CD2 3.65Å; F37-L43 HydrophobicContact CD2-CD2 3.88Å; F37-L43 HydrophobicContact CE1-CD2 3.73Å; F37-L43 HydrophobicContact CE2-CD2 3.97Å; F37-L43 HydrophobicContact CG-CD2 3.71Å; F37-L43 HydrophobicContact CZ-CD2 3.89Å; L43-P60 WeakPolarHBondContact O-CD 3.45Å; L43-E115 HydrophobicContact CB-CG 4.47Å; L43-E115 PolarHBondContact N-O 3.35Å; L43-F117 HydrophobicContact CD1-CB 3.9Å; L43-F117 HydrophobicContact CD1-CD2 4.27Å; L43-F117 HydrophobicContact CD2-CB 4.18Å; L43-F117 HydrophobicContact CG-CB 4.01Å; L43-N122 VanDerWaalsContact CD1-ND2 3.26Å; L43-N122 WeakPolarHBondContact CD1-ND2 3.5Å
44	R	94.1	Very high	84.6	Confident	54 Å²	54	42.4 Å²	42.4	20%	0.204	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	138.5	-175.9	-172.7	172.5	56.5	87.4	5.7	110.7	T46 V57 V58 E113 I114 E115	R44-T46 PolarHBondContact NH1-OG1 3.43Å; R44-V57 HydrophobicContact CG-CG1 3.64Å; R44-V58 WeakPolarHBondContact CA-O 3.3Å; R44-E113 IonicContact CZ-OE1 2.83Å; R44-E113 VanDerWaalsContact CZ-OE1 3.23Å; R44-E113 IonicContact NH1-OE1 3.06Å; R44-E113 PolarHBondContact NH1-OE1 3.42Å; R44-E113 IonicContact NH2-OE1 3.68Å; R44-E113 PolarHBondContact NH2-OE1 3.42Å; R44-I114 WeakPolarHBondContact O-CA 3.42Å; R44-E115 HydrophobicContact CB-CB 3.98Å; R44-E115 IonicContact CZ-OE2 2.76Å; R44-E115 VanDerWaalsContact CZ-OE2 3.24Å; R44-E115 IonicContact NE-OE2 2.68Å; R44-E115 PolarHBondContact NE-OE2 3.48Å; R44-E115 IonicContact NH2-OE2 2.66Å; R44-E115 PolarHBondContact NH2-OE2 3.25Å; R44-E115 PolarHBondContact O-N 3.14Å
45	I	94.7	Very high	87	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.9	172	-53.9	169	0	0	0	107.5	I42 M47 V57 V58 I78 A81 I82 I114	I42-I45 HydrophobicContact CG2-CD1 4.02Å; I42-I45 HydrophobicContact CG2-CG1 3.56Å; I45-M47 HydrophobicContact CG2-CG 4.28Å; I45-V57 CarbonylContact O-C 3.59Å; I45-V57 WeakPolarHBondContact O-CA 3.18Å; I45-V58 HydrophobicContact CB-CB 4.34Å; I45-V58 PolarHBondContact N-O 3.04Å; I45-V58 PolarHBondContact O-N 3.19Å; I45-I78 HydrophobicContact CD1-CG2 3.84Å; I45-A81 HydrophobicContact CG2-CB 4.32Å; I45-I82 HydrophobicContact CD1-CD1 3.83Å; I45-I82 HydrophobicContact CD1-CG1 3.74Å; I45-I114 HydrophobicContact CG1-CD1 4.38Å; I45-I114 HydrophobicContact CG1-CG1 4.29Å; I45-I114 HydrophobicContact CG2-CD1 4.43Å; I45-I114 HydrophobicContact CG2-CG1 4.18Å
46	T	93.6	Very high	88.6	Confident	9 Å²	9	41.8 Å²	41.8	6%	0.055	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.4	175.6	-54	0	0	0	0	109.6	R44 Y55 S56 V57 V112 E113	R44-T46 PolarHBondContact NH1-OG1 3.43Å; T46-Y55 HydrophobicContact CG2-CE2 3.93Å; T46-S56 WeakPolarHBondContact CA-O 3.44Å; T46-V57 HydrophobicContact CG2-CG2 4.12Å; T46-V112 WeakPolarHBondContact O-CA 3.49Å; T46-E113 PolarHBondContact N-O 2.86Å; T46-E113 PolarHBondContact O-N 3.13Å
47	M	93.8	Very high	89.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.7	179.6	-63.3	173.5	-73.1	0	0	109.5	I45 F50 Y53 Y55 S56 V58 I78 A81 V112	I45-M47 HydrophobicContact CG2-CG 4.28Å; M47-F50 HydrophobicContact CB-CB 4.34Å; M47-F50 HydrophobicContact CG-CD1 4.47Å; M47-F50 HydrophobicContact SD-CD1 4.39Å; M47-Y53 HydrophobicContact CE-CD1 4.29Å; M47-Y53 HydrophobicContact CE-CD2 4.33Å; M47-Y53 HydrophobicContact CE-CE1 4.16Å; M47-Y53 HydrophobicContact CE-CE2 4.26Å; M47-Y53 HydrophobicContact CE-CG 4.35Å; M47-Y53 HydrophobicContact SD-CD2 4.2Å; M47-Y53 HydrophobicContact SD-CE2 4.33Å; M47-Y55 CarbonylContact O-C 3.39Å; M47-Y55 WeakPolarHBondContact O-CA 3.19Å; M47-S56 PolarHBondContact N-O 3.13Å; M47-S56 PolarHBondContact O-N 3.31Å; M47-V58 HydrophobicContact CE-CG2 3.99Å; M47-I78 HydrophobicContact CE-CG1 3.92Å; M47-I78 HydrophobicContact SD-CG1 4.31Å; M47-A81 HydrophobicContact CG-CB 4.07Å; M47-A81 HydrophobicContact SD-CB 4.11Å; M47-V112 HydrophobicContact CB-CG1 4.41Å; M47-V112 HydrophobicContact CG-CG1 4.08Å
48	K	91.9	Very high	89.8	Confident	110 Å²	110	37.7 Å²	37.7	48%	0.478	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	128.7	177.6	-173.5	175.8	-177.7	174	0	110.8	F50 D54 Y55 F111	K48-F50 PolarHBondContact O-N 3Å; K48-D54 CarbonylContact C-O 3.56Å; K48-D54 VanDerWaalsContact CA-O 3.27Å; K48-D54 WeakPolarHBondContact CA-O 3.49Å; K48-D54 WeakPolarHBondContact CG-O 3.43Å; K48-Y55 HydrophobicContact CB-CD2 4.31Å; K48-Y55 HydrophobicContact CG-CD2 4.42Å; K48-F111 HydrophobicContact CB-CB 4.34Å; K48-F111 HydrophobicContact CB-CD1 4.41Å; K48-F111 PolarHBondContact N-O 2.62Å; K48-F111 PolarHBondContact O-N 3.15Å
49	N	91.8	Very high	90.1	Very high	46 Å²	46	40 Å²	40	25%	0.246	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	47.7	42.7	-173.8	-61.1	-4.5	0	0	0	112.8	Y53 D54 K104 C107 K109 G110	N49-Y53 CarbonylContact C-O 3.58Å; N49-Y53 VanDerWaalsContact CA-O 3.31Å; N49-Y53 WeakPolarHBondContact CA-O 3.49Å; N49-Y53 PolarHBondContact N-O 2.99Å; N49-D54 PolarHBondContact N-O 3.12Å; N49-D54 PolarHBondContact OD1-O 3.36Å; N49-K104 VanDerWaalsContact C-CB 3.49Å; N49-K104 WeakPolarHBondContact O-CB 2.99Å; N49-K104 PolarHBondContact O-N 3.01Å; N49-C107 HydrophobicContact CB-CB 3.99Å; N49-K109 VanDerWaalsContact CB-O 3.32Å; N49-K109 WeakPolarHBondContact CB-O 3.48Å; N49-K109 PolarHBondContact ND2-O 3.35Å; N49-G110 WeakPolarHBondContact O-CA 2.94Å
50	F	90.7	Very high	90.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.3	-169.8	-174.4	-94.5	0	0	0	111.1	M47 K48 T52 Y53 S77 C80 A81 L84 Y102 V112	M47-F50 HydrophobicContact CB-CB 4.34Å; M47-F50 HydrophobicContact CG-CD1 4.47Å; M47-F50 HydrophobicContact SD-CD1 4.39Å; K48-F50 PolarHBondContact O-N 3Å; F50-T52 PolarHBondContact O-N 3.28Å; F50-Y53 PolarHBondContact N-O 3.36Å; F50-Y53 PolarHBondContact O-N 3.33Å; F50-S77 WeakPolarHBondContact CE1-O 2.89Å; F50-C80 HydrophobicContact CE1-CB 4.18Å; F50-C80 HydrophobicContact CZ-CB 4.1Å; F50-A81 HydrophobicContact CD1-CB 4.48Å; F50-A81 HydrophobicContact CE1-CB 3.92Å; F50-A81 HydrophobicContact CZ-CB 4.24Å; F50-L84 HydrophobicContact CE2-CD1 4.09Å; F50-L84 HydrophobicContact CZ-CD1 4.07Å; F50-Y102 WeakPolarHBondContact CD2-O 3.34Å; F50-Y102 HydrophobicContact CZ-CD1 4.46Å; F50-V112 HydrophobicContact CB-CG1 4.06Å; F50-V112 HydrophobicContact CD1-CG1 4.01Å; F50-V112 HydrophobicContact CD2-CG1 3.47Å; F50-V112 VanDerWaalsContact CD2-CG1 3.47Å; F50-V112 HydrophobicContact CD2-CG2 4.45Å; F50-V112 HydrophobicContact CE1-CG1 4.33Å; F50-V112 HydrophobicContact CE2-CG1 3.82Å; F50-V112 HydrophobicContact CE2-CG2 4.32Å; F50-V112 HydrophobicContact CG-CG1 3.57Å; F50-V112 HydrophobicContact CZ-CG1 4.24Å
51	L	89	Confident	90.3	Very high	37 Å²	37	37.3 Å²	37.3	19%	0.194	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	-89.3	-172.3	-72.4	172	0	0	0	114.1	S77 C80 Y102 K104	L51-S77 WeakPolarHBondContact CD1-OG 3.42Å; L51-C80 HydrophobicContact CD1-CB 4.03Å; L51-Y102 HydrophobicContact CD1-CD1 4.18Å; L51-Y102 HydrophobicContact CD2-CD1 4.46Å; L51-Y102 HydrophobicContact CG-CD1 4.5Å; L51-Y102 PolarHBondContact N-O 2.73Å; L51-K104 WeakPolarHBondContact O-CA 3.39Å; L51-K104 WeakPolarHBondContact O-CG 3.39Å
52	T	85.6	Confident	90.1	Very high	44 Å²	44	38.7 Å²	38.7	27%	0.27	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-20.8	-178.7	46	0	0	0	0	113.6	F50 G74 K104	F50-T52 PolarHBondContact O-N 3.28Å; T52-G74 WeakPolarHBondContact OG1-CA 3.35Å; T52-K104 PolarHBondContact O-NZ 3.37Å; T52-K104 VanDerWaalsContact O-NZ 3.09Å
53	Y	86.3	Confident	89.8	Confident	28 Å²	28	39.9 Å²	39.9	11%	0.11	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.1	-170.8	-61.1	-97.6	0	0	0	112.3	M47 N49 F50 G74 V1045	M47-Y53 HydrophobicContact CE-CD1 4.29Å; M47-Y53 HydrophobicContact CE-CD2 4.33Å; M47-Y53 HydrophobicContact CE-CE1 4.16Å; M47-Y53 HydrophobicContact CE-CE2 4.26Å; M47-Y53 HydrophobicContact CE-CG 4.35Å; M47-Y53 HydrophobicContact SD-CD2 4.2Å; M47-Y53 HydrophobicContact SD-CE2 4.33Å; N49-Y53 CarbonylContact C-O 3.58Å; N49-Y53 VanDerWaalsContact CA-O 3.31Å; N49-Y53 WeakPolarHBondContact CA-O 3.49Å; N49-Y53 PolarHBondContact N-O 2.99Å; F50-Y53 PolarHBondContact N-O 3.36Å; F50-Y53 PolarHBondContact O-N 3.33Å; Y53-G74 WeakPolarHBondContact CE2-O 2.96Å; Y53-G74 PolarHBondContact OH-O 3.12Å; Y53-G74 VanDerWaalsContact OH-O 3.1Å; Y53-V1045 VanDerWaalsContact OH-CG1 3.31Å; Y53-V1045 WeakPolarHBondContact OH-CG1 3.46Å
54	D	86.2	Confident	89.6	Confident	92 Å²	92	38.3 Å²	38.3	49%	0.492	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-49.7	167.1	-55.7	-70	0	0	0	110.5	K48 N49 K104	K48-D54 CarbonylContact C-O 3.56Å; K48-D54 VanDerWaalsContact CA-O 3.27Å; K48-D54 WeakPolarHBondContact CA-O 3.49Å; K48-D54 WeakPolarHBondContact CG-O 3.43Å; N49-D54 PolarHBondContact N-O 3.12Å; N49-D54 PolarHBondContact OD1-O 3.36Å; D54-K104 WeakPolarHBondContact OD1-CD 3.48Å; D54-K104 VanDerWaalsContact OD1-CE 3.26Å; D54-K104 WeakPolarHBondContact OD1-CE 3.27Å; D54-K104 IonicContact OD1-NZ 2.78Å; D54-K104 PolarHBondContact OD1-NZ 2.66Å; D54-K104 IonicContact OD2-NZ 3.34Å; D54-K104 PolarHBondContact OD2-NZ 2.76Å
55	Y	87.5	Confident	89.5	Confident	108 Å²	108	35.8 Å²	35.8	42%	0.424	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	135.3	170.3	-178.4	-113.4	0	0	0	110.5	T46 M47 K48 V57 P1054	T46-Y55 HydrophobicContact CG2-CE2 3.93Å; M47-Y55 CarbonylContact O-C 3.39Å; M47-Y55 WeakPolarHBondContact O-CA 3.19Å; K48-Y55 HydrophobicContact CB-CD2 4.31Å; K48-Y55 HydrophobicContact CG-CD2 4.42Å; Y55-V57 HydrophobicContact CE1-CG2 4.25Å; Y55-V57 HydrophobicContact CE2-CG2 4.34Å; Y55-V57 WeakPolarHBondContact OH-CG2 3.32Å; Y55-P1054 HydrophobicContact CD1-CG 4.32Å
56	S	86.6	Confident	89.1	Confident	22 Å²	22	35.9 Å²	35.9	15%	0.154	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	147.5	173.1	-178.3	0	0	0	0	111.1	T46 M47	T46-S56 WeakPolarHBondContact CA-O 3.44Å; M47-S56 PolarHBondContact N-O 3.13Å; M47-S56 PolarHBondContact O-N 3.31Å
57	V	88.8	Confident	88.9	Confident	45 Å²	45	35.5 Å²	35.5	27%	0.273	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.9	171.4	-173.4	0	0	0	0	107.9	R44 I45 T46 Y55	R44-V57 HydrophobicContact CG-CG1 3.64Å; I45-V57 CarbonylContact O-C 3.59Å; I45-V57 WeakPolarHBondContact O-CA 3.18Å; T46-V57 HydrophobicContact CG2-CG2 4.12Å; Y55-V57 HydrophobicContact CE1-CG2 4.25Å; Y55-V57 HydrophobicContact CE2-CG2 4.34Å; Y55-V57 WeakPolarHBondContact OH-CG2 3.32Å
58	V	89.9	Confident	88.6	Confident	17 Å²	17	36.2 Å²	36.2	10%	0.103	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.2	178.2	-175.7	0	0	0	0	108.3	R44 I45 M47 I78 L1043	R44-V58 WeakPolarHBondContact CA-O 3.3Å; I45-V58 HydrophobicContact CB-CB 4.34Å; I45-V58 PolarHBondContact N-O 3.04Å; I45-V58 PolarHBondContact O-N 3.19Å; M47-V58 HydrophobicContact CE-CG2 3.99Å; V58-I78 HydrophobicContact CG2-CD1 4.35Å; V58-L1043 HydrophobicContact CG1-CD1 3.89Å; V58-L1043 HydrophobicContact CG1-CD2 4.42Å
59	H	90	Very high	88.2	Confident	120 Å²	120	31.6 Å²	31.6	56%	0.556	17%	0.169	S	C	*	.			trans	-116.5	100.9	176.1	-68.1	-82.4	0	0	0	109.2
60	P	91	Very high	87.6	Confident	9 Å²	9	32.4 Å²	32.4	6%	0.058	18%	0.182	C	C	.	.			trans	-71.1	151.7	175.1	-19.8	35.4	0	0	0	112.5	I42 L43 N65 F1024	I42-P60 HydrophobicContact CG2-CG 4.16Å; L43-P60 WeakPolarHBondContact O-CD 3.45Å; P60-N65 WeakPolarHBondContact CA-OD1 3.45Å; P60-N65 WeakPolarHBondContact CB-OD1 3.23Å; P60-F1024 HydrophobicContact CB-CE1 3.72Å; P60-F1024 HydrophobicContact CB-CZ 3.72Å; P60-F1024 HydrophobicContact CG-CE1 3.67Å; P60-F1024 HydrophobicContact CG-CZ 3.71Å
61	G	88.6	Confident	87.1	Confident	9 Å²	9	37.9 Å²	37.9	9%	0.093	21%	0.211	C	C	.	.			trans	-81.2	172.1	165.1	0	0	0	0	0	112.5	N65 Q1022	G61-N65 PolarHBondContact N-OD1 2.72Å; G61-N65 PolarHBondContact O-ND2 2.79Å; G61-Q1022 PolarHBondContact O-NE2 2.89Å
62	P	86.1	Confident	86.5	Confident	30 Å²	30	39.6 Å²	39.6	20%	0.195	24%	0.237	C	C	.	.	S	Bend	trans	-68.6	-38.1	-175.6	24.5	-32.7	0	0	0	114.4	P36 F37 Q1022	P36-P62 HydrophobicContact CB-CB 4.2Å; P36-P62 HydrophobicContact CB-CG 4.21Å; P36-P62 HydrophobicContact CG-CB 4.24Å; P36-P62 HydrophobicContact CG-CG 3.99Å; P36-P62 WeakPolarHBondContact O-CB 3.37Å; F37-P62 HydrophobicContact CD1-CB 3.98Å; F37-P62 HydrophobicContact CD2-CB 4.37Å; F37-P62 VanDerWaalsContact CE1-CA 3.48Å; F37-P62 HydrophobicContact CE1-CB 3.96Å; F37-P62 HydrophobicContact CE2-CB 4.33Å; F37-P62 HydrophobicContact CG-CB 4.21Å; F37-P62 HydrophobicContact CZ-CB 4.14Å; P62-Q1022 WeakPolarHBondContact O-CA 3.42Å; P62-Q1022 WeakPolarHBondContact O-CB 3.4Å; P62-Q1022 WeakPolarHBondContact O-CG 3.26Å
63	N	87.9	Confident	86.2	Confident	24 Å²	24	38.3 Å²	38.3	13%	0.128	23%	0.23	C	C	.	.	S	Bend	trans	-101.8	-117.5	-174.6	-57	81.7	0	0	0	111.6	N65 Y1023 E1039	N63-N65 PolarHBondContact O-N 2.6Å; N63-N65 PolarHBondContact O-ND2 2.78Å; N63-Y1023 PolarHBondContact O-N 2.73Å; N63-E1039 HydrophobicContact CB-CB 3.96Å
64	L	88.6	Confident	86	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.4	-175	-179.6	58.7	0	0	0	112.3	V1012 A1015 Y1023 F1025 M1040 T1041	L64-V1012 HydrophobicContact CD2-CB 4.4Å; L64-V1012 HydrophobicContact CD2-CG2 3.83Å; L64-A1015 HydrophobicContact CB-CB 3.97Å; L64-A1015 HydrophobicContact CD1-CB 3.99Å; L64-A1015 HydrophobicContact CD2-CB 4.38Å; L64-A1015 HydrophobicContact CG-CB 4.33Å; L64-Y1023 HydrophobicContact CD1-CD1 4.03Å; L64-Y1023 HydrophobicContact CD1-CG 4.37Å; L64-F1025 HydrophobicContact CD1-CB 4Å; L64-M1040 HydrophobicContact CB-CG 4.33Å; L64-M1040 HydrophobicContact CD2-CE 4.28Å; L64-M1040 HydrophobicContact CD2-CG 3.97Å; L64-M1040 HydrophobicContact CD2-SD 4.03Å; L64-M1040 HydrophobicContact CG-CG 4.1Å; L64-M1040 CarbonylContact O-C 3.39Å; L64-M1040 WeakPolarHBondContact O-CA 3.24Å; L64-T1041 PolarHBondContact O-N 3.36Å
65	N	90	Very high	85.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	99.9	177.6	-72.5	-89.1	0	0	0	109.8	P60 G61 N63 Y1023 F1024 F1025 T1041 L1043	P60-N65 WeakPolarHBondContact CA-OD1 3.45Å; P60-N65 WeakPolarHBondContact CB-OD1 3.23Å; G61-N65 PolarHBondContact N-OD1 2.72Å; G61-N65 PolarHBondContact O-ND2 2.79Å; N63-N65 PolarHBondContact O-N 2.6Å; N63-N65 PolarHBondContact O-ND2 2.78Å; N65-Y1023 WeakPolarHBondContact CA-O 3.41Å; N65-Y1023 WeakPolarHBondContact CB-O 2.83Å; N65-Y1023 PolarHBondContact N-O 2.71Å; N65-F1024 HydrophobicContact CB-CD1 3.73Å; N65-F1024 HydrophobicContact CB-CE1 3.96Å; N65-F1024 HydrophobicContact CB-CG 4.38Å; N65-F1024 WeakPolarHBondContact O-CA 3.48Å; N65-F1025 PolarHBondContact O-N 2.97Å; N65-T1041 CarbonylContact C-O 3.49Å; N65-T1041 WeakPolarHBondContact CA-O 3.38Å; N65-L1043 HydrophobicContact CB-CD1 4.41Å
66	M	88.3	Confident	85.8	Confident	3 Å²	3	29 Å²	29	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	107.4	-179.6	-166.9	-168	-171.8	0	0	110.6	V68 F1008 F1025 T1027 L1034 M1040 T1041 L1043	M66-V68 HydrophobicContact CE-CG2 3.92Å; M66-V68 HydrophobicContact CG-CG2 3.65Å; M66-V68 HydrophobicContact SD-CG2 3.79Å; M66-F1008 HydrophobicContact CE-CE2 3.77Å; M66-F1008 HydrophobicContact CE-CZ 4.32Å; M66-F1008 HydrophobicContact SD-CE2 4.25Å; M66-F1008 HydrophobicContact SD-CZ 4.44Å; M66-F1025 CarbonylContact C-O 3.49Å; M66-F1025 WeakPolarHBondContact CA-O 3.27Å; M66-F1025 HydrophobicContact CG-CD1 4.3Å; M66-T1027 HydrophobicContact CE-CG2 3.49Å; M66-T1027 VanDerWaalsContact CE-CG2 3.49Å; M66-T1027 HydrophobicContact CG-CG2 4.41Å; M66-L1034 HydrophobicContact CE-CD1 4.31Å; M66-M1040 HydrophobicContact CB-CE 3.62Å; M66-M1040 HydrophobicContact CG-CE 3.93Å; M66-M1040 HydrophobicContact SD-CE 3.28Å; M66-M1040 WeakPolarHBondContact SD-CE 3.14Å; M66-T1041 PolarHBondContact N-O 3.43Å; M66-L1043 PolarHBondContact O-N 3.12Å
67	I	89.3	Confident	85.8	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	114	178.9	-59.6	174.5	0	0	0	108.9	K75 I78 F1024 F1025 I1026 T1027 L1043 V1045	I67-K75 HydrophobicContact CG2-CB 4.28Å; I67-K75 HydrophobicContact CG2-CG 4.4Å; I67-I78 HydrophobicContact CD1-CB 4.43Å; I67-I78 HydrophobicContact CD1-CD1 4.14Å; I67-I78 HydrophobicContact CD1-CG2 4.09Å; I67-I78 HydrophobicContact CG2-CD1 4.12Å; I67-F1024 HydrophobicContact CD1-CD1 4.2Å; I67-F1025 PolarHBondContact N-O 2.59Å; I67-I1026 HydrophobicContact CB-CB 4.36Å; I67-I1026 HydrophobicContact CB-CG1 3.95Å; I67-I1026 HydrophobicContact CB-CG2 4.24Å; I67-I1026 HydrophobicContact CD1-CG1 3.97Å; I67-I1026 HydrophobicContact CG1-CG1 4.38Å; I67-I1026 HydrophobicContact CG2-CG1 4.45Å; I67-I1026 HydrophobicContact CG2-CG2 4.2Å; I67-I1026 WeakPolarHBondContact O-CA 3.24Å; I67-T1027 PolarHBondContact O-N 2.75Å; I67-L1043 WeakPolarHBondContact CA-O 3.41Å; I67-L1043 HydrophobicContact CG1-CB 4.07Å; I67-L1043 HydrophobicContact CG1-CD1 4Å; I67-V1045 HydrophobicContact CG2-CG2 3.67Å
68	V	86.6	Confident	85.8	Confident	14 Å²	14	26.4 Å²	26.4	9%	0.085	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.4	-171.8	-165.8	0	0	0	0	111.4	M66 T1027 L1030 I1042 L1043 C1044 V1045	M66-V68 HydrophobicContact CE-CG2 3.92Å; M66-V68 HydrophobicContact CG-CG2 3.65Å; M66-V68 HydrophobicContact SD-CG2 3.79Å; V68-T1027 HydrophobicContact CG2-CG2 4.14Å; V68-L1030 HydrophobicContact CG1-CB 4.2Å; V68-L1030 HydrophobicContact CG1-CD1 4.01Å; V68-L1030 HydrophobicContact CG2-CD1 4.41Å; V68-I1042 HydrophobicContact CG2-CG2 4.37Å; V68-L1043 PolarHBondContact N-O 3.47Å; V68-C1044 CarbonylContact O-C 3.58Å; V68-C1044 WeakPolarHBondContact O-CA 3.47Å; V68-V1045 PolarHBondContact O-N 3.33Å
69	G	83.3	Confident	85.8	Confident	13 Å²	13	25.7 Å²	25.7	13%	0.134	17%	0.171	C	C	.	.			trans	169.6	154.9	-179.3	0	0	0	0	0	112.8	K75 P1028	G69-K75 WeakPolarHBondContact O-CD 3.29Å; G69-K75 PolarHBondContact O-NZ 3.33Å; G69-P1028 WeakPolarHBondContact O-CA 3.47Å
70	A	79.9	Confident	85.7	Confident	63 Å²	63	20.1 Å²	20.1	52%	0.521	15%	0.146	S	C	.	.			trans	-61	161	-179.2	0	0	0	0	0	112.5	G72 T73	A70-G72 PolarHBondContact O-N 3.5Å; A70-T73 HydrophobicContact CB-CG2 3.94Å; A70-T73 WeakPolarHBondContact O-CB 2.98Å; A70-T73 WeakPolarHBondContact O-CG2 3.38Å; A70-T73 PolarHBondContact O-N 2.95Å; A70-T73 PolarHBondContact O-OG1 2.63Å
71	N	80	Confident	85.6	Confident	115 Å²	115	19.7 Å²	19.7	62%	0.615	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	137.1	177.1	-73.2	2.5	0	0	0	110.7	T73 P1028	N71-T73 VanDerWaalsContact C-N 3.34Å; N71-T73 PolarHBondContact O-N 3.44Å; N71-P1028 WeakPolarHBondContact OD1-CB 3.4Å
72	G	75.3	Confident	85.7	Confident	73 Å²	73	19.3 Å²	19.3	75%	0.753	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	-10.8	-177.2	0	0	0	0	0	116.6	A70 G74	A70-G72 PolarHBondContact O-N 3.5Å; G72-G74 PolarHBondContact O-N 3.25Å
73	T	80.3	Confident	85.9	Confident	18 Å²	18	17.9 Å²	17.9	11%	0.11	13%	0.129	C	C	.	.	S	Bend	trans	-64.1	-23	-176.8	52.2	0	0	0	0	115.1	A70 N71 N1047	A70-T73 HydrophobicContact CB-CG2 3.94Å; A70-T73 WeakPolarHBondContact O-CB 2.98Å; A70-T73 WeakPolarHBondContact O-CG2 3.38Å; A70-T73 PolarHBondContact O-N 2.95Å; A70-T73 PolarHBondContact O-OG1 2.63Å; N71-T73 VanDerWaalsContact C-N 3.34Å; N71-T73 PolarHBondContact O-N 3.44Å; T73-N1047 VanDerWaalsContact O-CB 3.27Å; T73-N1047 WeakPolarHBondContact O-CB 3.28Å; T73-N1047 PolarHBondContact O-ND2 3.17Å; T73-N1047 VanDerWaalsContact O-ND2 3.08Å
74	G	81.1	Confident	86	Confident	7 Å²	7	16.8 Å²	16.8	7%	0.072	12%	0.123	C	C	.	.	S	Bend	trans	121	6.3	-179.5	0	0	0	0	0	115.5	T52 Y53 G72 S76 S77	T52-G74 WeakPolarHBondContact OG1-CA 3.35Å; Y53-G74 WeakPolarHBondContact CE2-O 2.96Å; Y53-G74 PolarHBondContact OH-O 3.12Å; Y53-G74 VanDerWaalsContact OH-O 3.1Å; G72-G74 PolarHBondContact O-N 3.25Å; G74-S76 PolarHBondContact O-N 3.26Å; G74-S77 VanDerWaalsContact O-CB 3.25Å; G74-S77 WeakPolarHBondContact O-CB 3.34Å; G74-S77 PolarHBondContact O-N 3.35Å; G74-S77 PolarHBondContact O-OG 3.47Å
75	K	85.8	Confident	86.1	Confident	9 Å²	9	16.7 Å²	16.7	4%	0.039	12%	0.123	C	C	.	.	H	α-helix	trans	-45.9	-65.2	-180	-59	-162.5	-56.4	-72.8	0	113.7	I67 G69 S77 I78 E994 I1026 T1027 V1045	I67-K75 HydrophobicContact CG2-CB 4.28Å; I67-K75 HydrophobicContact CG2-CG 4.4Å; G69-K75 WeakPolarHBondContact O-CD 3.29Å; G69-K75 PolarHBondContact O-NZ 3.33Å; K75-S77 PolarHBondContact O-N 3.35Å; K75-I78 WeakPolarHBondContact O-CB 3.15Å; K75-I78 PolarHBondContact O-N 3.27Å; K75-E994 WeakPolarHBondContact CE-OE1 2.81Å; K75-E994 IonicContact NZ-OE1 2.59Å; K75-E994 PolarHBondContact NZ-OE1 2.93Å; K75-I1026 HydrophobicContact CB-CG2 3.69Å; K75-I1026 HydrophobicContact CD-CG2 3.76Å; K75-I1026 HydrophobicContact CG-CG2 4.35Å; K75-T1027 WeakPolarHBondContact CD-O 3.42Å; K75-T1027 WeakPolarHBondContact CE-O 3.24Å; K75-V1045 HydrophobicContact CG-CB 4.24Å
76	S	83.7	Confident	86.1	Confident	17 Å²	17	16.8 Å²	16.8	12%	0.119	12%	0.124	C	C	.	.	H	α-helix	trans	-67.8	-3.8	-177.5	-43.6	0	0	0	0	113.8	G74 I78 V79 C80 D993	G74-S76 PolarHBondContact O-N 3.26Å; S76-I78 VanDerWaalsContact C-N 3.33Å; S76-V79 WeakPolarHBondContact O-CB 2.89Å; S76-V79 PolarHBondContact O-N 3.47Å; S76-C80 PolarHBondContact O-N 3.46Å; S76-C80 PolarHBondContact O-SG 3.27Å; S76-D993 WeakPolarHBondContact CB-OD2 3.39Å; S76-D993 PolarHBondContact OG-OD1 3.38Å; S76-D993 PolarHBondContact OG-OD2 2.99Å
77	S	88.2	Confident	86.1	Confident	10 Å²	10	17.4 Å²	17.4	7%	0.07	13%	0.129	C	C	.	.	H	α-helix	trans	-71.8	-30.5	167.3	-49.3	0	0	0	0	111.2	F50 L51 G74 K75 V79 C80 A81	F50-S77 WeakPolarHBondContact CE1-O 2.89Å; L51-S77 WeakPolarHBondContact CD1-OG 3.42Å; G74-S77 VanDerWaalsContact O-CB 3.25Å; G74-S77 WeakPolarHBondContact O-CB 3.34Å; G74-S77 PolarHBondContact O-N 3.35Å; G74-S77 PolarHBondContact O-OG 3.47Å; K75-S77 PolarHBondContact O-N 3.35Å; S77-V79 VanDerWaalsContact C-N 3.33Å; S77-C80 PolarHBondContact O-N 3.16Å; S77-A81 WeakPolarHBondContact O-CB 3.45Å; S77-A81 PolarHBondContact O-N 3.16Å
78	I	88.9	Confident	85.9	Confident	2 Å²	2	17.9 Å²	17.9	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-62.5	-45.9	171.9	-57.3	170.5	0	0	0	109	I45 M47 V58 I67 K75 S76 C80 A81 I82 V1045	I45-I78 HydrophobicContact CD1-CG2 3.84Å; M47-I78 HydrophobicContact CE-CG1 3.92Å; M47-I78 HydrophobicContact SD-CG1 4.31Å; V58-I78 HydrophobicContact CG2-CD1 4.35Å; I67-I78 HydrophobicContact CD1-CB 4.43Å; I67-I78 HydrophobicContact CD1-CD1 4.14Å; I67-I78 HydrophobicContact CD1-CG2 4.09Å; I67-I78 HydrophobicContact CG2-CD1 4.12Å; K75-I78 WeakPolarHBondContact O-CB 3.15Å; K75-I78 PolarHBondContact O-N 3.27Å; S76-I78 VanDerWaalsContact C-N 3.33Å; I78-C80 PolarHBondContact O-N 3.12Å; I78-A81 WeakPolarHBondContact O-CB 2.99Å; I78-A81 PolarHBondContact O-N 3.07Å; I78-A81 VanDerWaalsContact O-N 3.16Å; I78-I82 HydrophobicContact CG2-CD1 4.28Å; I78-I82 WeakPolarHBondContact O-CG1 3.4Å; I78-I82 PolarHBondContact O-N 2.7Å; I78-V1045 HydrophobicContact CD1-CG2 3.84Å
79	V	88.3	Confident	85.8	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-57.6	-46.3	173.2	178.2	0	0	0	0	111.3	S76 S77 A81 I82 C83 F167 V991 D993 I1026	S76-V79 WeakPolarHBondContact O-CB 2.89Å; S76-V79 PolarHBondContact O-N 3.47Å; S77-V79 VanDerWaalsContact C-N 3.33Å; V79-A81 VanDerWaalsContact C-N 3.35Å; V79-A81 PolarHBondContact O-N 3.45Å; V79-I82 PolarHBondContact O-N 2.74Å; V79-C83 PolarHBondContact O-N 3.17Å; V79-F167 HydrophobicContact CG1-CE1 4Å; V79-F167 HydrophobicContact CG1-CE2 4.22Å; V79-F167 HydrophobicContact CG1-CZ 3.4Å; V79-F167 VanDerWaalsContact CG1-CZ 3.4Å; V79-F167 WeakPolarHBondContact O-CZ 3.23Å; V79-V991 HydrophobicContact CG1-CG1 4.1Å; V79-V991 HydrophobicContact CG2-CG1 4.03Å; V79-D993 HydrophobicContact CG2-CB 4.4Å; V79-I1026 HydrophobicContact CG2-CD1 3.43Å; V79-I1026 VanDerWaalsContact CG2-CD1 3.43Å; V79-I1026 HydrophobicContact CG2-CG1 3.74Å
80	C	88.4	Confident	85.8	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.02	17%	0.166	C	C	.	.	H	α-helix	trans	-62.2	-38	175.3	-65.9	0	0	0	0	112.9	F50 L51 S76 S77 I78 L84 L93 Y102	F50-C80 HydrophobicContact CE1-CB 4.18Å; F50-C80 HydrophobicContact CZ-CB 4.1Å; L51-C80 HydrophobicContact CD1-CB 4.03Å; S76-C80 PolarHBondContact O-N 3.46Å; S76-C80 PolarHBondContact O-SG 3.27Å; S77-C80 PolarHBondContact O-N 3.16Å; I78-C80 PolarHBondContact O-N 3.12Å; C80-L84 WeakPolarHBondContact O-CB 2.8Å; C80-L84 WeakPolarHBondContact O-CG 3.37Å; C80-L84 PolarHBondContact O-N 2.7Å; C80-L93 HydrophobicContact CB-CD1 4.15Å; C80-Y102 HydrophobicContact CB-CD1 4.07Å; C80-Y102 HydrophobicContact CB-CE1 4.17Å
81	A	90.1	Very high	85.6	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.4	-44.5	177.1	0	0	0	0	0	111.5	I45 M47 F50 S77 I78 V79 C83 L84 V85 V112	I45-A81 HydrophobicContact CG2-CB 4.32Å; M47-A81 HydrophobicContact CG-CB 4.07Å; M47-A81 HydrophobicContact SD-CB 4.11Å; F50-A81 HydrophobicContact CD1-CB 4.48Å; F50-A81 HydrophobicContact CE1-CB 3.92Å; F50-A81 HydrophobicContact CZ-CB 4.24Å; S77-A81 WeakPolarHBondContact O-CB 3.45Å; S77-A81 PolarHBondContact O-N 3.16Å; I78-A81 WeakPolarHBondContact O-CB 2.99Å; I78-A81 PolarHBondContact O-N 3.07Å; I78-A81 VanDerWaalsContact O-N 3.16Å; V79-A81 VanDerWaalsContact C-N 3.35Å; V79-A81 PolarHBondContact O-N 3.45Å; A81-C83 PolarHBondContact O-N 3.18Å; A81-L84 PolarHBondContact O-N 2.76Å; A81-V85 WeakPolarHBondContact O-CB 3.16Å; A81-V85 WeakPolarHBondContact O-CG2 2.89Å; A81-V85 PolarHBondContact O-N 2.75Å; A81-V112 HydrophobicContact CB-CG1 3.96Å
82	I	90.8	Very high	85.3	Confident	1 Å²	1	25 Å²	25	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-54.7	-52.1	173.6	-64.9	168.4	0	0	0	110.4	I42 I45 I78 V79 L86 I114 F167 F989 V991	I42-I82 HydrophobicContact CD1-CD1 4.12Å; I42-I82 HydrophobicContact CD1-CG1 4.05Å; I42-I82 HydrophobicContact CD1-CG2 3.97Å; I45-I82 HydrophobicContact CD1-CD1 3.83Å; I45-I82 HydrophobicContact CD1-CG1 3.74Å; I78-I82 HydrophobicContact CG2-CD1 4.28Å; I78-I82 WeakPolarHBondContact O-CG1 3.4Å; I78-I82 PolarHBondContact O-N 2.7Å; V79-I82 PolarHBondContact O-N 2.74Å; I82-L86 HydrophobicContact CG2-CD1 3.85Å; I82-L86 WeakPolarHBondContact O-CB 2.86Å; I82-L86 VanDerWaalsContact O-CG 3.26Å; I82-L86 WeakPolarHBondContact O-CG 3.07Å; I82-L86 PolarHBondContact O-N 3.1Å; I82-I114 HydrophobicContact CB-CD1 4.31Å; I82-I114 HydrophobicContact CG1-CD1 4.09Å; I82-F167 HydrophobicContact CB-CE2 4.36Å; I82-F167 HydrophobicContact CG2-CE2 3.97Å; I82-F989 HydrophobicContact CG2-CE2 3.84Å; I82-F989 HydrophobicContact CG2-CZ 4.03Å; I82-V991 HydrophobicContact CD1-CG2 4.49Å; I82-V991 HydrophobicContact CG2-CG2 4.42Å
83	C	89.5	Confident	85.2	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62	-48.8	179.7	179.1	0	0	0	0	112.8	V79 A81 V85 L86 G88 L93 V161 F167	V79-C83 PolarHBondContact O-N 3.17Å; A81-C83 PolarHBondContact O-N 3.18Å; C83-V85 PolarHBondContact O-N 2.77Å; C83-L86 PolarHBondContact O-N 2.62Å; C83-G88 VanDerWaalsContact O-CA 3.27Å; C83-G88 WeakPolarHBondContact O-CA 3.3Å; C83-G88 PolarHBondContact O-N 2.82Å; C83-L93 HydrophobicContact CB-CD1 3.92Å; C83-L93 HydrophobicContact CB-CD2 3.76Å; C83-L93 HydrophobicContact CB-CG 4.11Å; C83-V161 HydrophobicContact CB-CG1 4.05Å; C83-F167 HydrophobicContact CB-CE1 3.98Å; C83-F167 HydrophobicContact CB-CE2 4.16Å; C83-F167 HydrophobicContact CB-CZ 3.58Å
84	L	89.8	Confident	84.5	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-73.9	-27.2	-173.3	-70.1	178.3	0	0	0	114.5	F50 C80 A81 T90 L93 Y102 R127 W138	F50-L84 HydrophobicContact CE2-CD1 4.09Å; F50-L84 HydrophobicContact CZ-CD1 4.07Å; C80-L84 WeakPolarHBondContact O-CB 2.8Å; C80-L84 WeakPolarHBondContact O-CG 3.37Å; C80-L84 PolarHBondContact O-N 2.7Å; A81-L84 PolarHBondContact O-N 2.76Å; L84-T90 HydrophobicContact CD2-CG2 3.93Å; L84-L93 HydrophobicContact CD2-CD1 4.19Å; L84-L93 HydrophobicContact CG-CD1 3.99Å; L84-Y102 HydrophobicContact CD1-CD1 3.61Å; L84-Y102 HydrophobicContact CD1-CD2 3.89Å; L84-Y102 HydrophobicContact CD1-CE1 4.14Å; L84-Y102 HydrophobicContact CD1-CE2 4.4Å; L84-Y102 HydrophobicContact CD1-CG 3.47Å; L84-Y102 VanDerWaalsContact CD1-CG 3.47Å; L84-R127 VanDerWaalsContact O-CD 3.24Å; L84-R127 WeakPolarHBondContact O-CD 3.15Å; L84-R127 PolarHBondContact O-NH1 3.01Å; L84-W138 WeakPolarHBondContact O-CH2 3.19Å
85	V	91.4	Very high	83.9	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-78.8	-33.8	174.4	175.1	0	0	0	0	111.1	A81 C83 A87 V112 I114 I125 W138	A81-V85 WeakPolarHBondContact O-CB 3.16Å; A81-V85 WeakPolarHBondContact O-CG2 2.89Å; A81-V85 PolarHBondContact O-N 2.75Å; C83-V85 PolarHBondContact O-N 2.77Å; V85-A87 PolarHBondContact O-N 3.47Å; V85-V112 HydrophobicContact CG2-CB 3.62Å; V85-V112 HydrophobicContact CG2-CG2 3.43Å; V85-V112 VanDerWaalsContact CG2-CG2 3.43Å; V85-I114 HydrophobicContact CB-CB 4.47Å; V85-I114 HydrophobicContact CB-CD1 3.86Å; V85-I114 HydrophobicContact CB-CG1 3.98Å; V85-I114 HydrophobicContact CG1-CB 3.84Å; V85-I114 HydrophobicContact CG1-CD1 4.19Å; V85-I114 HydrophobicContact CG1-CG1 3.89Å; V85-I114 HydrophobicContact CG2-CD1 4.3Å; V85-I114 HydrophobicContact CG2-CG1 4.17Å; V85-I125 HydrophobicContact CG1-CB 3.78Å; V85-I125 HydrophobicContact CG1-CG2 3.72Å; V85-I125 VanDerWaalsContact CG1-O 3.26Å; V85-I125 WeakPolarHBondContact CG1-O 3.5Å; V85-I125 WeakPolarHBondContact O-CG2 3.36Å; V85-W138 WeakPolarHBondContact O-CZ3 2.9Å
86	L	90.3	Very high	83	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.01	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	36	-178.3	-56.5	175.6	0	0	0	112.6	I82 C83 G88 L116 I125 V154 I159 V161 F989	I82-L86 HydrophobicContact CG2-CD1 3.85Å; I82-L86 WeakPolarHBondContact O-CB 2.86Å; I82-L86 VanDerWaalsContact O-CG 3.26Å; I82-L86 WeakPolarHBondContact O-CG 3.07Å; I82-L86 PolarHBondContact O-N 3.1Å; C83-L86 PolarHBondContact O-N 2.62Å; L86-G88 PolarHBondContact O-N 3.4Å; L86-G88 VanDerWaalsContact O-N 3.09Å; L86-L116 HydrophobicContact CD2-CD1 3.86Å; L86-L116 HydrophobicContact CD2-CD2 4.37Å; L86-L116 HydrophobicContact CD2-CG 4.5Å; L86-I125 HydrophobicContact CD2-CD1 3.89Å; L86-V154 HydrophobicContact CB-CG1 4.4Å; L86-V154 HydrophobicContact CD2-CG2 4.16Å; L86-I159 HydrophobicContact CD1-CG2 4.22Å; L86-V161 HydrophobicContact CB-CG2 3.64Å; L86-V161 VanDerWaalsContact O-CG2 3.27Å; L86-V161 WeakPolarHBondContact O-CG2 3.29Å; L86-F989 HydrophobicContact CD1-CE1 3.87Å; L86-F989 HydrophobicContact CD1-CZ 3.48Å; L86-F989 VanDerWaalsContact CD1-CZ 3.48Å
87	A	88.1	Confident	82.7	Confident	15 Å²	15	34.4 Å²	34.4	12%	0.124	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	20.5	178.8	0	0	0	0	0	116.8	V85 W138 Q147 V150 E151	V85-A87 PolarHBondContact O-N 3.47Å; A87-W138 HydrophobicContact CB-CH2 4.27Å; A87-Q147 HydrophobicContact CB-CG 4.48Å; A87-V150 HydrophobicContact CB-CG1 4.37Å; A87-E151 HydrophobicContact CB-CG 3.45Å; A87-E151 VanDerWaalsContact CB-CG 3.45Å
88	G	85	Confident	82.5	Confident	11 Å²	11	39 Å²	39	11%	0.113	20%	0.204	C	C	.	.			trans	-65	148.5	174.1	0	0	0	0	0	113.7	C83 L86	C83-G88 VanDerWaalsContact O-CA 3.27Å; C83-G88 WeakPolarHBondContact O-CA 3.3Å; C83-G88 PolarHBondContact O-N 2.82Å; L86-G88 PolarHBondContact O-N 3.4Å; L86-G88 VanDerWaalsContact O-N 3.09Å
89	R	84.3	Confident	82.3	Confident	202 Å²	202	39.7 Å²	39.7	76%	0.762	21%	0.208	S	C	*	.			trans	-78.4	138.2	179.4	-62.5	-177.5	-177.8	-179.8	1.6	110.5	V91 T92	R89-V91 PolarHBondContact O-N 2.8Å; R89-T92 VanDerWaalsContact O-CB 3.28Å; R89-T92 WeakPolarHBondContact O-CB 3.44Å; R89-T92 PolarHBondContact O-N 2.7Å; R89-T92 PolarHBondContact O-OG1 2.65Å
90	T	81.8	Confident	82.1	Confident	22 Å²	22	40.2 Å²	40.2	14%	0.135	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-57.2	-33.2	176.6	44.7	0	0	0	0	113.1	L84 T92 L93 G96 D97 V99 Y102	L84-T90 HydrophobicContact CD2-CG2 3.93Å; T90-T92 PolarHBondContact O-N 2.6Å; T90-L93 PolarHBondContact O-N 3.2Å; T90-G96 WeakPolarHBondContact CB-O 3.29Å; T90-D97 WeakPolarHBondContact CB-O 3.47Å; T90-D97 PolarHBondContact OG1-O 3.06Å; T90-V99 HydrophobicContact CG2-CG1 3.7Å; T90-Y102 HydrophobicContact CG2-CE2 3.96Å
91	V	77.5	Confident	82	Confident	103 Å²	103	44.7 Å²	44.7	62%	0.624	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-59.5	-30.3	174.5	-177.6	0	0	0	0	112.9	R89 L93	R89-V91 PolarHBondContact O-N 2.8Å; V91-L93 PolarHBondContact O-N 2.77Å
92	T	71.9	Confident	81.9	Confident	29 Å²	29	44.7 Å²	44.7	18%	0.178	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-66.2	-22.3	176.7	-51.4	0	0	0	0	112	R89 T90 F167 P169	R89-T92 VanDerWaalsContact O-CB 3.28Å; R89-T92 WeakPolarHBondContact O-CB 3.44Å; R89-T92 PolarHBondContact O-N 2.7Å; R89-T92 PolarHBondContact O-OG1 2.65Å; T90-T92 PolarHBondContact O-N 2.6Å; T92-F167 HydrophobicContact CG2-CD1 4.38Å; T92-P169 HydrophobicContact CG2-CG 4.44Å; T92-P169 VanDerWaalsContact O-CG 3.25Å; T92-P169 WeakPolarHBondContact O-CG 3.17Å
93	L	74.3	Confident	81.9	Confident	14 Å²	14	45.1 Å²	45.1	7%	0.073	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-99.5	4.7	-174.6	-64.5	174	0	0	0	114.6	C80 C83 L84 T90 V91 R95 Y102 F167	C80-L93 HydrophobicContact CB-CD1 4.15Å; C83-L93 HydrophobicContact CB-CD1 3.92Å; C83-L93 HydrophobicContact CB-CD2 3.76Å; C83-L93 HydrophobicContact CB-CG 4.11Å; L84-L93 HydrophobicContact CD2-CD1 4.19Å; L84-L93 HydrophobicContact CG-CD1 3.99Å; T90-L93 PolarHBondContact O-N 3.2Å; V91-L93 PolarHBondContact O-N 2.77Å; L93-R95 WeakPolarHBondContact O-CG 3.22Å; L93-R95 PolarHBondContact O-N 2.65Å; L93-Y102 HydrophobicContact CB-CE1 4.35Å; L93-Y102 WeakPolarHBondContact CB-OH 3.23Å; L93-Y102 HydrophobicContact CD1-CE1 3.74Å; L93-F167 HydrophobicContact CD2-CE1 3.98Å; L93-F167 HydrophobicContact CD2-CZ 4.29Å
94	G	66.1	Low	81.7	Confident	37 Å²	37	47.4 Å²	47.4	38%	0.381	25%	0.25	S	C	.	.	S	Bend	trans	71.9	-29.8	174.9	0	0	0	0	0	116.7	G96 E171	G94-G96 VanDerWaalsContact C-N 3.27Å; G94-G96 PolarHBondContact O-N 3.06Å; G94-G96 VanDerWaalsContact O-N 3.1Å; G94-E171 WeakPolarHBondContact CA-OE2 3.44Å
95	R	68.7	Low	81.5	Confident	138 Å²	138	59.1 Å²	59.1	52%	0.521	29%	0.294	S	S	.	.	S	Bend	trans	-79.4	7.9	-165.7	-67.8	165.5	-177.2	-90.5	-8.6	116.1	L93 Y102	L93-R95 WeakPolarHBondContact O-CG 3.22Å; L93-R95 PolarHBondContact O-N 2.65Å; R95-Y102 HydrophobicContact CB-CE1 4.43Å
96	G	66.9	Low	81.1	Confident	29 Å²	29	63.3 Å²	63.3	30%	0.299	34%	0.337	S	S	.	.			trans	120.1	174.2	176.8	0	0	0	0	0	114.6	T90 G94	T90-G96 WeakPolarHBondContact CB-O 3.29Å; G94-G96 VanDerWaalsContact C-N 3.27Å; G94-G96 PolarHBondContact O-N 3.06Å; G94-G96 VanDerWaalsContact O-N 3.1Å
97	D	76.6	Confident	80.9	Confident	103 Å²	103	64.7 Å²	64.7	55%	0.551	35%	0.347	S	S	*	.	S	Bend	trans	-75.4	-38.1	-175.9	63.8	-32.9	0	0	0	113.5	T90	T90-D97 WeakPolarHBondContact CB-O 3.47Å; T90-D97 PolarHBondContact OG1-O 3.06Å
98	K	83.8	Confident	80.9	Confident	106 Å²	106	69.6 Å²	69.6	46%	0.461	37%	0.367	S	S	.	.			trans	-85.7	130.7	-167.8	-76.1	155.9	-166.8	171.5	0	114.1	G100 L101 N134	K98-G100 VanDerWaalsContact C-N 3.32Å; K98-G100 PolarHBondContact O-N 3.28Å; K98-L101 HydrophobicContact CB-CD1 4.07Å; K98-L101 HydrophobicContact CB-CG 4.03Å; K98-L101 WeakPolarHBondContact O-CB 3.41Å; K98-L101 WeakPolarHBondContact O-CG 3.48Å; K98-L101 PolarHBondContact O-N 2.66Å; K98-N134 WeakPolarHBondContact CB-OD1 3.16Å
99	V	84.6	Confident	81.2	Confident	17 Å²	17	73.7 Å²	73.7	10%	0.103	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-66.6	-30.1	176.8	-66.3	0	0	0	0	113	T90 L101 Y102 I129 N134	T90-V99 HydrophobicContact CG2-CG1 3.7Å; V99-L101 PolarHBondContact O-N 2.95Å; V99-L101 VanDerWaalsContact O-N 3.13Å; V99-Y102 WeakPolarHBondContact O-CD2 3.24Å; V99-Y102 PolarHBondContact O-N 2.86Å; V99-Y102 VanDerWaalsContact O-N 3.12Å; V99-I129 HydrophobicContact CB-CG2 4.06Å; V99-I129 HydrophobicContact CG2-CG2 3.95Å; V99-N134 WeakPolarHBondContact CG2-O 3.37Å; V99-N134 WeakPolarHBondContact CG2-OD1 3.48Å; V99-N134 PolarHBondContact N-OD1 3.36Å; V99-N134 VanDerWaalsContact N-OD1 3.08Å
100	G	85	Confident	81.6	Confident	13 Å²	13	64.1 Å²	64.1	13%	0.134	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-60.9	-20.9	176.5	0	0	0	0	0	114.2	K98 Y102 V103 N134	K98-G100 VanDerWaalsContact C-N 3.32Å; K98-G100 PolarHBondContact O-N 3.28Å; G100-Y102 PolarHBondContact O-N 3.12Å; G100-V103 PolarHBondContact O-N 2.88Å; G100-N134 PolarHBondContact N-OD1 3.24Å
101	L	86.1	Confident	82.2	Confident	96 Å²	96	65.3 Å²	65.3	50%	0.503	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-67.5	-14.2	176.6	-61.5	173.5	0	0	0	113.6	K98 V99	K98-L101 HydrophobicContact CB-CD1 4.07Å; K98-L101 HydrophobicContact CB-CG 4.03Å; K98-L101 WeakPolarHBondContact O-CB 3.41Å; K98-L101 WeakPolarHBondContact O-CG 3.48Å; K98-L101 PolarHBondContact O-N 2.66Å; V99-L101 PolarHBondContact O-N 2.95Å; V99-L101 VanDerWaalsContact O-N 3.13Å
102	Y	87.9	Confident	83.1	Confident	1 Å²	1	60.4 Å²	60.4	0%	0.004	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-95.4	-5.6	-179.7	-60.7	-98	0	0	0	113	F50 L51 C80 L84 T90 L93 R95 V99 G100	F50-Y102 WeakPolarHBondContact CD2-O 3.34Å; F50-Y102 HydrophobicContact CZ-CD1 4.46Å; L51-Y102 HydrophobicContact CD1-CD1 4.18Å; L51-Y102 HydrophobicContact CD2-CD1 4.46Å; L51-Y102 HydrophobicContact CG-CD1 4.5Å; L51-Y102 PolarHBondContact N-O 2.73Å; C80-Y102 HydrophobicContact CB-CD1 4.07Å; C80-Y102 HydrophobicContact CB-CE1 4.17Å; L84-Y102 HydrophobicContact CD1-CD1 3.61Å; L84-Y102 HydrophobicContact CD1-CD2 3.89Å; L84-Y102 HydrophobicContact CD1-CE1 4.14Å; L84-Y102 HydrophobicContact CD1-CE2 4.4Å; L84-Y102 HydrophobicContact CD1-CG 3.47Å; L84-Y102 VanDerWaalsContact CD1-CG 3.47Å; T90-Y102 HydrophobicContact CG2-CE2 3.96Å; L93-Y102 HydrophobicContact CB-CE1 4.35Å; L93-Y102 WeakPolarHBondContact CB-OH 3.23Å; L93-Y102 HydrophobicContact CD1-CE1 3.74Å; R95-Y102 HydrophobicContact CB-CE1 4.43Å; V99-Y102 WeakPolarHBondContact O-CD2 3.24Å; V99-Y102 PolarHBondContact O-N 2.86Å; V99-Y102 VanDerWaalsContact O-N 3.12Å; G100-Y102 PolarHBondContact O-N 3.12Å
103	V	89.4	Confident	84.2	Confident	10 Å²	10	60.8 Å²	60.8	6%	0.061	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-75.6	143.8	170.4	-178.9	0	0	0	0	109.7	G100 R105 C107 K109 I129 V131	G100-V103 PolarHBondContact O-N 2.88Å; V103-R105 PolarHBondContact O-N 2.77Å; V103-C107 HydrophobicContact CG1-CB 3.93Å; V103-C107 WeakPolarHBondContact CG1-O 3.48Å; V103-K109 VanDerWaalsContact CG1-C 3.49Å; V103-I129 HydrophobicContact CG2-CB 4.01Å; V103-I129 HydrophobicContact CG2-CG2 3.84Å; V103-V131 HydrophobicContact CB-CG2 3.63Å; V103-V131 HydrophobicContact CG1-CG2 3.74Å; V103-V131 HydrophobicContact CG2-CG2 3.77Å
104	K	87.1	Confident	85.2	Confident	48 Å²	48	60.1 Å²	60.1	21%	0.209	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-61.5	132.1	177.5	179.3	163.1	-177.5	168.9	0	110.6	N49 L51 T52 D54 G106 C107	N49-K104 VanDerWaalsContact C-CB 3.49Å; N49-K104 WeakPolarHBondContact O-CB 2.99Å; N49-K104 PolarHBondContact O-N 3.01Å; L51-K104 WeakPolarHBondContact O-CA 3.39Å; L51-K104 WeakPolarHBondContact O-CG 3.39Å; T52-K104 PolarHBondContact O-NZ 3.37Å; T52-K104 VanDerWaalsContact O-NZ 3.09Å; D54-K104 WeakPolarHBondContact OD1-CD 3.48Å; D54-K104 VanDerWaalsContact OD1-CE 3.26Å; D54-K104 WeakPolarHBondContact OD1-CE 3.27Å; D54-K104 IonicContact OD1-NZ 2.78Å; D54-K104 PolarHBondContact OD1-NZ 2.66Å; D54-K104 IonicContact OD2-NZ 3.34Å; D54-K104 PolarHBondContact OD2-NZ 2.76Å; K104-G106 PolarHBondContact O-N 3.38Å; K104-C107 WeakPolarHBondContact O-CB 3.05Å; K104-C107 PolarHBondContact O-N 3.13Å
105	R	84.3	Confident	86.5	Confident	245 Å²	245	60.3 Å²	60.3	93%	0.925	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	127.8	-179.2	-69.3	-176.2	176.9	-177.6	-0.7	110.7	V103	V103-R105 PolarHBondContact O-N 2.77Å
106	G	82.4	Confident	87.7	Confident	88 Å²	88	53.7 Å²	53.7	91%	0.907	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.2	-10.3	-176.1	0	0	0	0	0	114.9	K104	K104-G106 PolarHBondContact O-N 3.38Å
107	C	87.4	Confident	88.9	Confident	31 Å²	31	54.4 Å²	54.4	21%	0.209	28%	0.277	C	S	.	.			trans	-97.5	137	173.9	-61.4	0	0	0	0	111.1	N49 V103 K104 K109	N49-C107 HydrophobicContact CB-CB 3.99Å; V103-C107 HydrophobicContact CG1-CB 3.93Å; V103-C107 WeakPolarHBondContact CG1-O 3.48Å; K104-C107 WeakPolarHBondContact O-CB 3.05Å; K104-C107 PolarHBondContact O-N 3.13Å; C107-K109 VanDerWaalsContact C-N 3.34Å
108	Q	88.4	Confident	89.5	Confident	119 Å²	119	52.2 Å²	52.2	56%	0.556	26%	0.262	S	S	*	.	S	Bend	trans	-76.8	-21.1	174.8	-60.6	-65.2	24.7	0	0	113.5	V131 E132	Q108-V131 PolarHBondContact O-N 3.49Å; Q108-E132 PolarHBondContact NE2-OE1 3.34Å
109	K	91.4	Very high	89.3	Confident	97 Å²	97	52.2 Å²	52.2	42%	0.422	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149.1	174.6	64	160.7	176	173.2	0	113.7	N49 V103 C107 E128 I129	N49-K109 VanDerWaalsContact CB-O 3.32Å; N49-K109 WeakPolarHBondContact CB-O 3.48Å; N49-K109 PolarHBondContact ND2-O 3.35Å; V103-K109 VanDerWaalsContact CG1-C 3.49Å; C107-K109 VanDerWaalsContact C-N 3.34Å; K109-E128 HydrophobicContact CD-CG 3.95Å; K109-E128 WeakPolarHBondContact CD-OE1 3.36Å; K109-E128 WeakPolarHBondContact CE-OE1 3.46Å; K109-E128 IonicContact NZ-OE1 2.71Å; K109-E128 PolarHBondContact NZ-OE1 3.25Å; K109-E128 IonicContact NZ-OE2 2.7Å; K109-E128 PolarHBondContact NZ-OE2 2.68Å; K109-I129 WeakPolarHBondContact CA-O 2.83Å; K109-I129 WeakPolarHBondContact CB-O 3.34Å
110	G	93	Very high	88.9	Confident	1 Å²	1	56 Å²	56	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	152.9	170.8	0	0	0	0	0	110.9	N49 E128 I129	N49-G110 WeakPolarHBondContact O-CA 2.94Å; G110-E128 WeakPolarHBondContact O-CA 3.36Å; G110-I129 PolarHBondContact N-O 2.68Å; G110-I129 PolarHBondContact O-N 3.39Å
111	F	94	Very high	88.9	Confident	46 Å²	46	57.4 Å²	57.4	20%	0.202	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.5	-179.1	170.8	-85.4	0	0	0	110	K48 E113 E128 M139	K48-F111 HydrophobicContact CB-CB 4.34Å; K48-F111 HydrophobicContact CB-CD1 4.41Å; K48-F111 PolarHBondContact N-O 2.62Å; K48-F111 PolarHBondContact O-N 3.15Å; F111-E113 HydrophobicContact CE1-CB 3.69Å; F111-E113 HydrophobicContact CZ-CB 3.82Å; F111-E128 HydrophobicContact CD2-CB 4.34Å; F111-M139 HydrophobicContact CD2-CE 4.39Å; F111-M139 HydrophobicContact CE2-CE 3.94Å
112	V	94.9	Very high	89.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	139.3	175.1	-80.4	0	0	0	0	110.4	T46 M47 F50 A81 V85 S126 R127	T46-V112 WeakPolarHBondContact O-CA 3.49Å; M47-V112 HydrophobicContact CB-CG1 4.41Å; M47-V112 HydrophobicContact CG-CG1 4.08Å; F50-V112 HydrophobicContact CB-CG1 4.06Å; F50-V112 HydrophobicContact CD1-CG1 4.01Å; F50-V112 HydrophobicContact CD2-CG1 3.47Å; F50-V112 VanDerWaalsContact CD2-CG1 3.47Å; F50-V112 HydrophobicContact CD2-CG2 4.45Å; F50-V112 HydrophobicContact CE1-CG1 4.33Å; F50-V112 HydrophobicContact CE2-CG1 3.82Å; F50-V112 HydrophobicContact CE2-CG2 4.32Å; F50-V112 HydrophobicContact CG-CG1 3.57Å; F50-V112 HydrophobicContact CZ-CG1 4.24Å; A81-V112 HydrophobicContact CB-CG1 3.96Å; V85-V112 HydrophobicContact CG2-CB 3.62Å; V85-V112 HydrophobicContact CG2-CG2 3.43Å; V85-V112 VanDerWaalsContact CG2-CG2 3.43Å; V112-S126 CarbonylContact O-C 3.52Å; V112-S126 VanDerWaalsContact O-CA 3.29Å; V112-S126 WeakPolarHBondContact O-CA 3.33Å; V112-R127 HydrophobicContact CG2-CB 4.26Å; V112-R127 PolarHBondContact N-O 2.75Å; V112-R127 PolarHBondContact O-N 2.74Å
113	E	95.3	Very high	89.3	Confident	37 Å²	37	55.8 Å²	55.8	17%	0.173	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	139.9	-177.9	171.1	-179.9	108.8	0	0	110.1	R44 T46 F111 V124 I125	R44-E113 IonicContact CZ-OE1 2.83Å; R44-E113 VanDerWaalsContact CZ-OE1 3.23Å; R44-E113 IonicContact NH1-OE1 3.06Å; R44-E113 PolarHBondContact NH1-OE1 3.42Å; R44-E113 IonicContact NH2-OE1 3.68Å; R44-E113 PolarHBondContact NH2-OE1 3.42Å; T46-E113 PolarHBondContact N-O 2.86Å; T46-E113 PolarHBondContact O-N 3.13Å; F111-E113 HydrophobicContact CE1-CB 3.69Å; F111-E113 HydrophobicContact CZ-CB 3.82Å; E113-V124 HydrophobicContact CG-CG1 3.67Å; E113-I125 CarbonylContact C-O 3.53Å; E113-I125 WeakPolarHBondContact CA-O 3.18Å
114	I	95.5	Very high	89.6	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.3	175.9	-63	-172.7	0	0	0	109.6	I42 R44 I45 I82 V85 L116 V124 I125	I42-I114 HydrophobicContact CG1-CG2 4.24Å; I42-I114 HydrophobicContact CG2-CG2 3.87Å; R44-I114 WeakPolarHBondContact O-CA 3.42Å; I45-I114 HydrophobicContact CG1-CD1 4.38Å; I45-I114 HydrophobicContact CG1-CG1 4.29Å; I45-I114 HydrophobicContact CG2-CD1 4.43Å; I45-I114 HydrophobicContact CG2-CG1 4.18Å; I82-I114 HydrophobicContact CB-CD1 4.31Å; I82-I114 HydrophobicContact CG1-CD1 4.09Å; V85-I114 HydrophobicContact CB-CB 4.47Å; V85-I114 HydrophobicContact CB-CD1 3.86Å; V85-I114 HydrophobicContact CB-CG1 3.98Å; V85-I114 HydrophobicContact CG1-CB 3.84Å; V85-I114 HydrophobicContact CG1-CD1 4.19Å; V85-I114 HydrophobicContact CG1-CG1 3.89Å; V85-I114 HydrophobicContact CG2-CD1 4.3Å; V85-I114 HydrophobicContact CG2-CG1 4.17Å; I114-L116 HydrophobicContact CG2-CD2 3.84Å; I114-L116 HydrophobicContact CG2-CG 4.27Å; I114-V124 WeakPolarHBondContact O-CA 3.12Å; I114-I125 PolarHBondContact N-O 2.75Å; I114-I125 PolarHBondContact O-N 2.8Å
115	E	94.8	Very high	90	Very high	41 Å²	41	54.4 Å²	54.4	19%	0.192	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.9	173.9	-173.2	171.1	166.5	0	0	109.4	L43 R44 N122 V124	L43-E115 HydrophobicContact CB-CG 4.47Å; L43-E115 PolarHBondContact N-O 3.35Å; R44-E115 HydrophobicContact CB-CB 3.98Å; R44-E115 IonicContact CZ-OE2 2.76Å; R44-E115 VanDerWaalsContact CZ-OE2 3.24Å; R44-E115 IonicContact NE-OE2 2.68Å; R44-E115 PolarHBondContact NE-OE2 3.48Å; R44-E115 IonicContact NH2-OE2 2.66Å; R44-E115 PolarHBondContact NH2-OE2 3.25Å; R44-E115 PolarHBondContact O-N 3.14Å; E115-N122 HydrophobicContact CG-CB 4.12Å; E115-N122 PolarHBondContact OE1-ND2 3.2Å; E115-V124 HydrophobicContact CB-CG2 4.36Å; E115-V124 HydrophobicContact CG-CG2 4Å
116	L	93.3	Very high	90.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136.9	179.8	-58.1	174.1	0	0	0	110.2	S41 I42 L86 I114 N122 L123 I125 L157 I159	S41-L116 CarbonylContact O-C 3.55Å; S41-L116 WeakPolarHBondContact O-CA 3.5Å; I42-L116 HydrophobicContact CG1-CD2 3.72Å; L86-L116 HydrophobicContact CD2-CD1 3.86Å; L86-L116 HydrophobicContact CD2-CD2 4.37Å; L86-L116 HydrophobicContact CD2-CG 4.5Å; I114-L116 HydrophobicContact CG2-CD2 3.84Å; I114-L116 HydrophobicContact CG2-CG 4.27Å; L116-N122 CarbonylContact O-C 3.53Å; L116-N122 VanDerWaalsContact O-CA 3.31Å; L116-N122 WeakPolarHBondContact O-CA 3.49Å; L116-N122 WeakPolarHBondContact O-CB 3.24Å; L116-L123 HydrophobicContact CB-CB 4.37Å; L116-L123 HydrophobicContact CD1-CD2 4.32Å; L116-L123 PolarHBondContact N-O 2.75Å; L116-L123 PolarHBondContact O-N 2.76Å; L116-I125 HydrophobicContact CD1-CD1 3.9Å; L116-L157 HydrophobicContact CB-CD1 4.22Å; L116-L157 HydrophobicContact CD1-CD1 3.7Å; L116-I159 HydrophobicContact CD1-CD1 3.68Å; L116-I159 HydrophobicContact CD2-CD1 4.31Å
117	F	91.4	Very high	91	Very high	44 Å²	44	39.3 Å²	39.3	19%	0.193	23%	0.228	C	C	.	.			trans	-69	130	171	-176.2	-117.5	0	0	0	110.3	F37 G40 S41 L43	F37-F117 HydrophobicContact CB-CB 4.39Å; F37-F117 HydrophobicContact CB-CD1 3.95Å; F37-F117 HydrophobicContact CB-CE1 4.48Å; F37-F117 HydrophobicContact CB-CG 4.14Å; F37-F117 WeakPolarHBondContact O-CD1 3.42Å; F37-F117 WeakPolarHBondContact O-CE1 2.9Å; G40-F117 PolarHBondContact N-O 2.76Å; S41-F117 PolarHBondContact O-N 3.37Å; L43-F117 HydrophobicContact CD1-CB 3.9Å; L43-F117 HydrophobicContact CD1-CD2 4.27Å; L43-F117 HydrophobicContact CD2-CB 4.18Å; L43-F117 HydrophobicContact CG-CB 4.01Å
118	K	89	Confident	91.2	Very high	56 Å²	56	39.6 Å²	39.6	24%	0.243	23%	0.226	C	C	.	.			trans	-147	135	179.6	-179	176.7	-170.3	-177.3	0	109.5	E39 G120 G121 L123 E153 L157	E39-K118 WeakPolarHBondContact OE1-CG 3.24Å; K118-G120 PolarHBondContact O-N 2.82Å; K118-G121 WeakPolarHBondContact CB-O 3.42Å; K118-G121 CarbonylContact O-C 3.6Å; K118-G121 PolarHBondContact O-N 3.46Å; K118-L123 HydrophobicContact CD-CB 4.28Å; K118-E153 IonicContact NZ-OE1 3.61Å; K118-E153 IonicContact NZ-OE2 3.43Å; K118-E153 PolarHBondContact NZ-OE2 2.72Å; K118-L157 HydrophobicContact CB-CD2 4.22Å; K118-L157 HydrophobicContact CD-CD2 4.12Å; K118-L157 HydrophobicContact CG-CD2 3.97Å
119	N	79.8	Confident	91.4	Very high	107 Å²	107	34 Å²	34	57%	0.572	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	122.6	-175.8	-76.7	-52.4	0	0	0	110	E39	E39-N119 VanDerWaalsContact CD-ND2 3.27Å; E39-N119 PolarHBondContact OE1-N 3Å; E39-N119 PolarHBondContact OE2-ND2 2.98Å
120	G	76.6	Confident	91.4	Very high	95 Å²	95	31.7 Å²	31.7	98%	0.979	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.1	-4	-172.9	0	0	0	0	0	115.5	K118	K118-G120 PolarHBondContact O-N 2.82Å
121	G	85.1	Confident	91.1	Very high	44 Å²	44	34.5 Å²	34.5	45%	0.454	21%	0.207	S	C	.	.	S	Bend	trans	150.8	129	169.6	0	0	0	0	0	113.7	K118	K118-G121 WeakPolarHBondContact CB-O 3.42Å; K118-G121 CarbonylContact O-C 3.6Å; K118-G121 PolarHBondContact O-N 3.46Å
122	N	91.3	Very high	90.5	Very high	58 Å²	58	39.7 Å²	39.7	31%	0.31	23%	0.232	S	C	.	.			trans	-53.1	143.4	-178.2	-66.9	-5.4	0	0	0	112.9	L43 E115 L116	L43-N122 VanDerWaalsContact CD1-ND2 3.26Å; L43-N122 WeakPolarHBondContact CD1-ND2 3.5Å; E115-N122 HydrophobicContact CG-CB 4.12Å; E115-N122 PolarHBondContact OE1-ND2 3.2Å; L116-N122 CarbonylContact O-C 3.53Å; L116-N122 VanDerWaalsContact O-CA 3.31Å; L116-N122 WeakPolarHBondContact O-CA 3.49Å; L116-N122 WeakPolarHBondContact O-CB 3.24Å
123	L	91.6	Very high	89.9	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.8	175.1	178.8	65.3	0	0	0	109.6	L116 K118 I125 L140 E153 L157	L116-L123 HydrophobicContact CB-CB 4.37Å; L116-L123 HydrophobicContact CD1-CD2 4.32Å; L116-L123 PolarHBondContact N-O 2.75Å; L116-L123 PolarHBondContact O-N 2.76Å; K118-L123 HydrophobicContact CD-CB 4.28Å; L123-I125 HydrophobicContact CD2-CD1 4Å; L123-I125 HydrophobicContact CD2-CG1 4.21Å; L123-I125 HydrophobicContact CG-CD1 4.31Å; L123-I125 HydrophobicContact CG-CG1 3.98Å; L123-L140 HydrophobicContact CD1-CD1 4.16Å; L123-L140 HydrophobicContact CD1-CD2 3.62Å; L123-L140 HydrophobicContact CD1-CG 3.79Å; L123-E153 HydrophobicContact CD2-CB 3.97Å; L123-L157 HydrophobicContact CD2-CD1 3.7Å
124	V	94.6	Very high	89.4	Confident	29 Å²	29	44.8 Å²	44.8	18%	0.176	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	117.8	174.8	-177.5	0	0	0	0	108.9	E113 I114 E115 L140 N141	E113-V124 HydrophobicContact CG-CG1 3.67Å; I114-V124 WeakPolarHBondContact O-CA 3.12Å; E115-V124 HydrophobicContact CB-CG2 4.36Å; E115-V124 HydrophobicContact CG-CG2 4Å; V124-L140 CarbonylContact O-C 3.22Å; V124-L140 WeakPolarHBondContact O-CA 3.11Å; V124-N141 PolarHBondContact N-OD1 3.11Å; V124-N141 PolarHBondContact O-N 2.57Å; V124-N141 PolarHBondContact O-OD1 2.88Å
125	I	95.3	Very high	88.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.4	175.9	-52.4	170	0	0	0	107.5	V85 L86 E113 I114 L116 L123 V150 V154	V85-I125 HydrophobicContact CG1-CB 3.78Å; V85-I125 HydrophobicContact CG1-CG2 3.72Å; V85-I125 VanDerWaalsContact CG1-O 3.26Å; V85-I125 WeakPolarHBondContact CG1-O 3.5Å; V85-I125 WeakPolarHBondContact O-CG2 3.36Å; L86-I125 HydrophobicContact CD2-CD1 3.89Å; E113-I125 CarbonylContact C-O 3.53Å; E113-I125 WeakPolarHBondContact CA-O 3.18Å; I114-I125 PolarHBondContact N-O 2.75Å; I114-I125 PolarHBondContact O-N 2.8Å; L116-I125 HydrophobicContact CD1-CD1 3.9Å; L123-I125 HydrophobicContact CD2-CD1 4Å; L123-I125 HydrophobicContact CD2-CG1 4.21Å; L123-I125 HydrophobicContact CG-CD1 4.31Å; L123-I125 HydrophobicContact CG-CG1 3.98Å; I125-V150 HydrophobicContact CD1-CG1 4.28Å; I125-V150 HydrophobicContact CG2-CG1 3.72Å; I125-V150 HydrophobicContact CG2-CG2 4.41Å; I125-V154 HydrophobicContact CD1-CG2 3.65Å
126	S	94	Very high	88.5	Confident	4 Å²	4	50 Å²	50	3%	0.028	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	152.5	176.1	58.2	0	0	0	0	113.1	V112 M139	V112-S126 CarbonylContact O-C 3.52Å; V112-S126 VanDerWaalsContact O-CA 3.29Å; V112-S126 WeakPolarHBondContact O-CA 3.33Å; S126-M139 PolarHBondContact N-O 3.08Å; S126-M139 PolarHBondContact O-N 3.45Å; S126-M139 WeakPolarHBondContact OG-CB 3.42Å
127	R	93.8	Very high	88.4	Confident	13 Å²	13	53 Å²	53	5%	0.049	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	116.9	-172.1	-168.9	-179.8	-171.9	173.9	3.8	109.9	L84 V112 I129 S136 I137 W138	L84-R127 VanDerWaalsContact O-CD 3.24Å; L84-R127 WeakPolarHBondContact O-CD 3.15Å; L84-R127 PolarHBondContact O-NH1 3.01Å; V112-R127 HydrophobicContact CG2-CB 4.26Å; V112-R127 PolarHBondContact N-O 2.75Å; V112-R127 PolarHBondContact O-N 2.74Å; R127-I129 HydrophobicContact CG-CG1 4.16Å; R127-S136 VanDerWaalsContact NE-CB 3.33Å; R127-S136 PolarHBondContact NE-OG 2.6Å; R127-S136 PolarHBondContact NH2-OG 3.07Å; R127-I137 WeakPolarHBondContact CA-O 3.48Å; R127-W138 HydrophobicContact CB-CE3 4.28Å; R127-W138 HydrophobicContact CB-CZ3 4.38Å; R127-W138 HydrophobicContact CG-CD2 4.32Å; R127-W138 HydrophobicContact CG-CE3 4.11Å; R127-W138 HydrophobicContact CG-CZ3 4.2Å; R127-W138 VanDerWaalsContact CZ-CH2 3.43Å; R127-W138 VanDerWaalsContact NH1-CH2 3.33Å
128	E	93.2	Very high	88.6	Confident	37 Å²	37	51.6 Å²	51.6	17%	0.173	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	133.3	168.7	-172	163.7	117.3	0	0	108.9	K109 G110 F111 H130 S136 I137 M139	K109-E128 HydrophobicContact CD-CG 3.95Å; K109-E128 WeakPolarHBondContact CD-OE1 3.36Å; K109-E128 WeakPolarHBondContact CE-OE1 3.46Å; K109-E128 IonicContact NZ-OE1 2.71Å; K109-E128 PolarHBondContact NZ-OE1 3.25Å; K109-E128 IonicContact NZ-OE2 2.7Å; K109-E128 PolarHBondContact NZ-OE2 2.68Å; G110-E128 WeakPolarHBondContact O-CA 3.36Å; F111-E128 HydrophobicContact CD2-CB 4.34Å; E128-H130 IonicContact OE1-CE1 3.69Å; E128-H130 PolarHBondContact OE1-CE1 3.33Å; E128-H130 VanDerWaalsContact OE1-CE1 3.22Å; E128-H130 IonicContact OE1-NE2 3.09Å; E128-H130 PolarHBondContact OE1-NE2 3.39Å; E128-S136 CarbonylContact O-C 3.49Å; E128-S136 WeakPolarHBondContact O-CA 3.1Å; E128-S136 WeakPolarHBondContact O-CB 3.5Å; E128-I137 HydrophobicContact CB-CB 4.37Å; E128-I137 PolarHBondContact N-O 3.25Å; E128-I137 PolarHBondContact O-N 3.47Å; E128-M139 HydrophobicContact CB-CE 4.32Å
129	I	92.6	Very high	88.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.5	-174	-55.8	175.5	0	0	0	108.4	V99 V103 K109 G110 R127	V99-I129 HydrophobicContact CB-CG2 4.06Å; V99-I129 HydrophobicContact CG2-CG2 3.95Å; V103-I129 HydrophobicContact CG2-CB 4.01Å; V103-I129 HydrophobicContact CG2-CG2 3.84Å; K109-I129 WeakPolarHBondContact CA-O 2.83Å; K109-I129 WeakPolarHBondContact CB-O 3.34Å; G110-I129 PolarHBondContact N-O 2.68Å; G110-I129 PolarHBondContact O-N 3.39Å; R127-I129 HydrophobicContact CG-CG1 4.16Å
130	H	90.4	Very high	89.3	Confident	49 Å²	49	46.4 Å²	46.4	23%	0.227	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.1	-179.5	-60.1	-91.8	0	0	0	110.7	E128 N133 N134 Q135 I137	E128-H130 IonicContact OE1-CE1 3.69Å; E128-H130 PolarHBondContact OE1-CE1 3.33Å; E128-H130 VanDerWaalsContact OE1-CE1 3.22Å; E128-H130 IonicContact OE1-NE2 3.09Å; E128-H130 PolarHBondContact OE1-NE2 3.39Å; H130-N133 WeakPolarHBondContact CB-OD1 3.37Å; H130-N134 VanDerWaalsContact O-CA 3.31Å; H130-N134 WeakPolarHBondContact O-CA 3.37Å; H130-N134 PolarHBondContact O-N 2.73Å; H130-Q135 PolarHBondContact N-O 3.28Å; H130-I137 WeakPolarHBondContact NE2-CD1 3.24Å
131	V	86.7	Confident	89.9	Confident	60 Å²	60	46.6 Å²	46.6	36%	0.364	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-39.8	-176.1	179.2	0	0	0	0	111.8	V103 Q108 N133 N134	V103-V131 HydrophobicContact CB-CG2 3.63Å; V103-V131 HydrophobicContact CG1-CG2 3.74Å; V103-V131 HydrophobicContact CG2-CG2 3.77Å; Q108-V131 PolarHBondContact O-N 3.49Å; V131-N133 PolarHBondContact O-N 2.77Å; V131-N134 PolarHBondContact O-N 2.83Å
132	E	81.3	Confident	89.8	Confident	156 Å²	156	47.5 Å²	47.5	73%	0.729	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-39.6	-170	-61.8	176	166.5	0	0	113.6	Q108	Q108-E132 PolarHBondContact NE2-OE1 3.34Å
133	N	82.8	Confident	89.6	Confident	81 Å²	81	46.5 Å²	46.5	43%	0.433	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-1.7	-179.3	65	7.2	0	0	0	113.5	H130 V131 Q135	H130-N133 WeakPolarHBondContact CB-OD1 3.37Å; V131-N133 PolarHBondContact O-N 2.77Å; N133-Q135 HydrophobicContact CB-CG 4.15Å; N133-Q135 VanDerWaalsContact ND2-CD 3.33Å; N133-Q135 PolarHBondContact ND2-OE1 3.32Å; N133-Q135 VanDerWaalsContact ND2-OE1 3.16Å; N133-Q135 PolarHBondContact O-N 2.78Å; N133-Q135 WeakPolarHBondContact OD1-CB 3.5Å; N133-Q135 PolarHBondContact OD1-N 2.71Å
134	N	83.6	Confident	89.5	Confident	62 Å²	62	54.6 Å²	54.6	33%	0.332	30%	0.298	S	S	.	.			trans	53	28	-174	-173.9	69	0	0	0	113.9	K98 V99 G100 H130 V131	K98-N134 WeakPolarHBondContact CB-OD1 3.16Å; V99-N134 WeakPolarHBondContact CG2-O 3.37Å; V99-N134 WeakPolarHBondContact CG2-OD1 3.48Å; V99-N134 PolarHBondContact N-OD1 3.36Å; V99-N134 VanDerWaalsContact N-OD1 3.08Å; G100-N134 PolarHBondContact N-OD1 3.24Å; H130-N134 VanDerWaalsContact O-CA 3.31Å; H130-N134 WeakPolarHBondContact O-CA 3.37Å; H130-N134 PolarHBondContact O-N 2.73Å; V131-N134 PolarHBondContact O-N 2.83Å
135	Q	84.9	Confident	89.4	Confident	124 Å²	124	54.7 Å²	54.7	58%	0.579	30%	0.3	S	S	*	.			trans	-90.4	158.9	174.4	-62.7	179.7	-2.4	0	0	111	H130 N133	H130-Q135 PolarHBondContact N-O 3.28Å; N133-Q135 HydrophobicContact CB-CG 4.15Å; N133-Q135 VanDerWaalsContact ND2-CD 3.33Å; N133-Q135 PolarHBondContact ND2-OE1 3.32Å; N133-Q135 VanDerWaalsContact ND2-OE1 3.16Å; N133-Q135 PolarHBondContact O-N 2.78Å; N133-Q135 WeakPolarHBondContact OD1-CB 3.5Å; N133-Q135 PolarHBondContact OD1-N 2.71Å
136	S	88.3	Confident	89.1	Confident	27 Å²	27	59.2 Å²	59.2	19%	0.189	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	127.1	170.4	67.1	0	0	0	0	111.8	R127 E128	R127-S136 VanDerWaalsContact NE-CB 3.33Å; R127-S136 PolarHBondContact NE-OG 2.6Å; R127-S136 PolarHBondContact NH2-OG 3.07Å; E128-S136 CarbonylContact O-C 3.49Å; E128-S136 WeakPolarHBondContact O-CA 3.1Å; E128-S136 WeakPolarHBondContact O-CB 3.5Å
137	I	91.3	Very high	88.8	Confident	62 Å²	62	63 Å²	63	32%	0.318	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.2	172.8	-58.7	177.6	0	0	0	108	R127 E128 H130 M139 F144	R127-I137 WeakPolarHBondContact CA-O 3.48Å; E128-I137 HydrophobicContact CB-CB 4.37Å; E128-I137 PolarHBondContact N-O 3.25Å; E128-I137 PolarHBondContact O-N 3.47Å; H130-I137 WeakPolarHBondContact NE2-CD1 3.24Å; I137-M139 HydrophobicContact CG2-CG 4.48Å; I137-F144 HydrophobicContact CG2-CD1 3.69Å; I137-F144 HydrophobicContact CG2-CE1 3.74Å
138	W	93.8	Very high	88.6	Confident	15 Å²	15	68.6 Å²	68.6	6%	0.057	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138	176.7	-65.6	95.6	0	0	0	110.4	L84 V85 A87 R127 S145 Q147 V150	L84-W138 WeakPolarHBondContact O-CH2 3.19Å; V85-W138 WeakPolarHBondContact O-CZ3 2.9Å; A87-W138 HydrophobicContact CB-CH2 4.27Å; R127-W138 HydrophobicContact CB-CE3 4.28Å; R127-W138 HydrophobicContact CB-CZ3 4.38Å; R127-W138 HydrophobicContact CG-CD2 4.32Å; R127-W138 HydrophobicContact CG-CE3 4.11Å; R127-W138 HydrophobicContact CG-CZ3 4.2Å; R127-W138 VanDerWaalsContact CZ-CH2 3.43Å; R127-W138 VanDerWaalsContact NH1-CH2 3.33Å; W138-S145 PolarHBondContact O-N 2.78Å; W138-Q147 HydrophobicContact CH2-CG 4.48Å; W138-Q147 HydrophobicContact CZ2-CB 4.22Å; W138-Q147 HydrophobicContact CZ2-CG 3.72Å; W138-V150 HydrophobicContact CB-CG2 4.43Å; W138-V150 HydrophobicContact CD2-CG2 4.49Å; W138-V150 HydrophobicContact CE3-CB 4.45Å; W138-V150 HydrophobicContact CE3-CG1 4.3Å; W138-V150 HydrophobicContact CE3-CG2 4.05Å; W138-V150 HydrophobicContact CZ3-CG1 4.18Å
139	M	93.4	Very high	88.3	Confident	30 Å²	30	71.8 Å²	71.8	15%	0.148	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144	177.6	-71.5	167.1	-71.3	0	0	110.2	F111 S126 E128 I137 G143 F144	F111-M139 HydrophobicContact CD2-CE 4.39Å; F111-M139 HydrophobicContact CE2-CE 3.94Å; S126-M139 PolarHBondContact N-O 3.08Å; S126-M139 PolarHBondContact O-N 3.45Å; S126-M139 WeakPolarHBondContact OG-CB 3.42Å; E128-M139 HydrophobicContact CB-CE 4.32Å; I137-M139 HydrophobicContact CG2-CG 4.48Å; M139-G143 CarbonylContact C-O 3.26Å; M139-G143 VanDerWaalsContact CA-O 3.23Å; M139-G143 WeakPolarHBondContact CA-O 2.9Å; M139-F144 HydrophobicContact CG-CD1 4.07Å; M139-F144 HydrophobicContact CG-CE1 4.46Å; M139-F144 HydrophobicContact SD-CE1 4.43Å
140	L	91.1	Very high	88.1	Confident	24 Å²	24	71.8 Å²	71.8	13%	0.126	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	120.5	-178.7	-169.1	155.8	0	0	0	108.2	L123 V124 G142 G143 V150 E153	L123-L140 HydrophobicContact CD1-CD1 4.16Å; L123-L140 HydrophobicContact CD1-CD2 3.62Å; L123-L140 HydrophobicContact CD1-CG 3.79Å; V124-L140 CarbonylContact O-C 3.22Å; V124-L140 WeakPolarHBondContact O-CA 3.11Å; L140-G142 PolarHBondContact O-N 3.18Å; L140-G143 PolarHBondContact N-O 3.07Å; L140-G143 PolarHBondContact O-N 3.14Å; L140-V150 HydrophobicContact CD1-CG2 4.45Å; L140-E153 HydrophobicContact CD1-CB 4.32Å; L140-E153 HydrophobicContact CD1-CG 4.06Å
141	N	89.2	Confident	88.1	Confident	100 Å²	100	73.3 Å²	73.3	54%	0.535	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	38	-168.6	-64.7	-6.7	0	0	0	112.9	V124 G143	V124-N141 PolarHBondContact N-OD1 3.11Å; V124-N141 PolarHBondContact O-N 2.57Å; V124-N141 PolarHBondContact O-OD1 2.88Å; N141-G143 VanDerWaalsContact C-N 3.27Å; N141-G143 PolarHBondContact O-N 2.84Å
142	G	82.6	Confident	88.1	Confident	62 Å²	62	75.1 Å²	75.1	64%	0.639	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-11.4	-178.9	0	0	0	0	0	115.9	L140	L140-G142 PolarHBondContact O-N 3.18Å
143	G	86.9	Confident	88.4	Confident	38 Å²	38	70.1 Å²	70.1	39%	0.392	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	143.8	174.7	0	0	0	0	0	112.5	M139 L140 N141	M139-G143 CarbonylContact C-O 3.26Å; M139-G143 VanDerWaalsContact CA-O 3.23Å; M139-G143 WeakPolarHBondContact CA-O 2.9Å; L140-G143 PolarHBondContact N-O 3.07Å; L140-G143 PolarHBondContact O-N 3.14Å; N141-G143 VanDerWaalsContact C-N 3.27Å; N141-G143 PolarHBondContact O-N 2.84Å
144	F	90.5	Very high	88.7	Confident	173 Å²	173	66.6 Å²	66.6	76%	0.759	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	138.6	173.6	-65.4	-70.5	0	0	0	111.6	I137 M139	I137-F144 HydrophobicContact CG2-CD1 3.69Å; I137-F144 HydrophobicContact CG2-CE1 3.74Å; M139-F144 HydrophobicContact CG-CD1 4.07Å; M139-F144 HydrophobicContact CG-CE1 4.46Å; M139-F144 HydrophobicContact SD-CE1 4.43Å
145	S	91.3	Very high	88.8	Confident	32 Å²	32	71.2 Å²	71.2	22%	0.224	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	175.5	-176.6	-165.6	0	0	0	0	111.1	W138	W138-S145 PolarHBondContact O-N 2.78Å
146	N	89.1	Confident	88.9	Confident	95 Å²	95	68.4 Å²	68.4	51%	0.508	36%	0.364	S	S	.	.			trans	-111.4	160.7	168.7	68.7	52.9	0	0	0	110.4	K148 K149 V150	N146-K148 VanDerWaalsContact C-N 3.3Å; N146-K148 PolarHBondContact O-N 2.76Å; N146-K148 PolarHBondContact OD1-N 2.72Å; N146-K148 VanDerWaalsContact OD1-N 3.17Å; N146-K149 PolarHBondContact O-N 3.01Å; N146-K149 PolarHBondContact OD1-N 2.85Å; N146-V150 PolarHBondContact O-N 3.37Å
147	Q	88.8	Confident	88.8	Confident	82 Å²	82	67.6 Å²	67.6	38%	0.383	36%	0.358	S	S	.	.	H	α-helix	trans	-57.3	-41.6	-177.5	-174.1	176.1	-43.6	0	0	112.5	A87 W138 K149 V150 E151	A87-Q147 HydrophobicContact CB-CG 4.48Å; W138-Q147 HydrophobicContact CH2-CG 4.48Å; W138-Q147 HydrophobicContact CZ2-CB 4.22Å; W138-Q147 HydrophobicContact CZ2-CG 3.72Å; Q147-K149 VanDerWaalsContact C-N 3.34Å; Q147-K149 PolarHBondContact O-N 3.04Å; Q147-V150 CarbonylContact O-C 3.54Å; Q147-V150 WeakPolarHBondContact O-CA 3.29Å; Q147-V150 WeakPolarHBondContact O-CB 3.44Å; Q147-V150 PolarHBondContact O-N 3.07Å; Q147-E151 HydrophobicContact CG-CG 4.32Å; Q147-E151 WeakPolarHBondContact CG-OE1 3.16Å; Q147-E151 PolarHBondContact NE2-OE1 3.15Å; Q147-E151 WeakPolarHBondContact O-CG 3.34Å; Q147-E151 PolarHBondContact O-N 3.48Å
148	K	88.3	Confident	88.3	Confident	131 Å²	131	70 Å²	70	57%	0.57	37%	0.368	S	S	*	.	H	α-helix	trans	-61.6	-40.3	-177.5	-169.9	179	-176.3	-91.6	0	112.3	N146 V150 E151 E152	N146-K148 VanDerWaalsContact C-N 3.3Å; N146-K148 PolarHBondContact O-N 2.76Å; N146-K148 PolarHBondContact OD1-N 2.72Å; N146-K148 VanDerWaalsContact OD1-N 3.17Å; K148-V150 VanDerWaalsContact C-N 3.31Å; K148-V150 PolarHBondContact O-N 3.13Å; K148-E151 WeakPolarHBondContact O-CB 3.41Å; K148-E151 PolarHBondContact O-N 3.34Å; K148-E152 IonicContact NZ-OE1 2.71Å; K148-E152 PolarHBondContact NZ-OE1 3.4Å; K148-E152 WeakPolarHBondContact O-CB 2.95Å; K148-E152 VanDerWaalsContact O-CG 3.28Å; K148-E152 WeakPolarHBondContact O-CG 2.94Å; K148-E152 PolarHBondContact O-N 3.1Å
149	K	88	Confident	88	Confident	105 Å²	105	69.6 Å²	69.6	46%	0.457	37%	0.367	S	S	.	.	H	α-helix	trans	-68	-31.9	175.6	-172.8	177.1	179.3	-175.2	0	112.2	N146 Q147 E153	N146-K149 PolarHBondContact O-N 3.01Å; N146-K149 PolarHBondContact OD1-N 2.85Å; Q147-K149 VanDerWaalsContact C-N 3.34Å; Q147-K149 PolarHBondContact O-N 3.04Å; K149-E153 PolarHBondContact O-N 3.43Å
150	V	88.8	Confident	87.3	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-67.5	-45.8	171	178.9	0	0	0	0	110.2	A87 I125 W138 L140 N146 Q147 K148 E152 E153 V154	A87-V150 HydrophobicContact CB-CG1 4.37Å; I125-V150 HydrophobicContact CD1-CG1 4.28Å; I125-V150 HydrophobicContact CG2-CG1 3.72Å; I125-V150 HydrophobicContact CG2-CG2 4.41Å; W138-V150 HydrophobicContact CB-CG2 4.43Å; W138-V150 HydrophobicContact CD2-CG2 4.49Å; W138-V150 HydrophobicContact CE3-CB 4.45Å; W138-V150 HydrophobicContact CE3-CG1 4.3Å; W138-V150 HydrophobicContact CE3-CG2 4.05Å; W138-V150 HydrophobicContact CZ3-CG1 4.18Å; L140-V150 HydrophobicContact CD1-CG2 4.45Å; N146-V150 PolarHBondContact O-N 3.37Å; Q147-V150 CarbonylContact O-C 3.54Å; Q147-V150 WeakPolarHBondContact O-CA 3.29Å; Q147-V150 WeakPolarHBondContact O-CB 3.44Å; Q147-V150 PolarHBondContact O-N 3.07Å; K148-V150 VanDerWaalsContact C-N 3.31Å; K148-V150 PolarHBondContact O-N 3.13Å; V150-E152 VanDerWaalsContact C-N 3.29Å; V150-E152 PolarHBondContact O-N 3.31Å; V150-E153 PolarHBondContact O-N 3.45Å; V150-V154 HydrophobicContact CG1-CG2 4.03Å; V150-V154 VanDerWaalsContact O-CB 3.24Å; V150-V154 WeakPolarHBondContact O-CB 3.44Å; V150-V154 WeakPolarHBondContact O-CG2 3.14Å; V150-V154 PolarHBondContact O-N 2.67Å
151	E	88.6	Confident	86.7	Confident	80 Å²	80	71.6 Å²	71.6	37%	0.374	38%	0.375	S	S	.	.	H	α-helix	trans	-58.1	-39	174.7	-69.2	168.3	176.3	0	0	112.4	A87 Q147 K148 K155	A87-E151 HydrophobicContact CB-CG 3.45Å; A87-E151 VanDerWaalsContact CB-CG 3.45Å; Q147-E151 HydrophobicContact CG-CG 4.32Å; Q147-E151 WeakPolarHBondContact CG-OE1 3.16Å; Q147-E151 PolarHBondContact NE2-OE1 3.15Å; Q147-E151 WeakPolarHBondContact O-CG 3.34Å; Q147-E151 PolarHBondContact O-N 3.48Å; K148-E151 WeakPolarHBondContact O-CB 3.41Å; K148-E151 PolarHBondContact O-N 3.34Å; E151-K155 WeakPolarHBondContact O-CB 2.92Å; E151-K155 PolarHBondContact O-N 2.91Å
152	E	88.1	Confident	85.8	Confident	98 Å²	98	70 Å²	70	46%	0.458	38%	0.383	S	S	.	.	H	α-helix	trans	-65.7	-46	177.3	-75	163.6	178.8	0	0	112.6	K148 V150 K155 A156	K148-E152 IonicContact NZ-OE1 2.71Å; K148-E152 PolarHBondContact NZ-OE1 3.4Å; K148-E152 WeakPolarHBondContact O-CB 2.95Å; K148-E152 VanDerWaalsContact O-CG 3.28Å; K148-E152 WeakPolarHBondContact O-CG 2.94Å; K148-E152 PolarHBondContact O-N 3.1Å; V150-E152 VanDerWaalsContact C-N 3.29Å; V150-E152 PolarHBondContact O-N 3.31Å; E152-K155 PolarHBondContact O-N 3.36Å; E152-A156 WeakPolarHBondContact O-CB 3.41Å; E152-A156 PolarHBondContact O-N 2.85Å
153	E	87.9	Confident	85.5	Confident	52 Å²	52	67.5 Å²	67.5	24%	0.243	36%	0.355	C	S	.	.	H	α-helix	trans	-71.3	-38.2	176.8	-75.7	-84.2	179.8	0	0	112.7	K118 L123 L140 K149 V150 K155 A156 L157	K118-E153 IonicContact NZ-OE1 3.61Å; K118-E153 IonicContact NZ-OE2 3.43Å; K118-E153 PolarHBondContact NZ-OE2 2.72Å; L123-E153 HydrophobicContact CD2-CB 3.97Å; L140-E153 HydrophobicContact CD1-CB 4.32Å; L140-E153 HydrophobicContact CD1-CG 4.06Å; K149-E153 PolarHBondContact O-N 3.43Å; V150-E153 PolarHBondContact O-N 3.45Å; E153-K155 VanDerWaalsContact C-N 3.35Å; E153-A156 WeakPolarHBondContact O-CB 3.46Å; E153-A156 PolarHBondContact O-N 3.05Å; E153-L157 PolarHBondContact O-N 2.93Å
154	V	88.4	Confident	84.7	Confident	6 Å²	6	67.4 Å²	67.4	4%	0.036	35%	0.346	C	S	.	.	H	α-helix	trans	-62.4	-42.6	173.5	168.3	0	0	0	0	110.3	L86 I125 V150 L157 I159	L86-V154 HydrophobicContact CB-CG1 4.4Å; L86-V154 HydrophobicContact CD2-CG2 4.16Å; I125-V154 HydrophobicContact CD1-CG2 3.65Å; V150-V154 HydrophobicContact CG1-CG2 4.03Å; V150-V154 VanDerWaalsContact O-CB 3.24Å; V150-V154 WeakPolarHBondContact O-CB 3.44Å; V150-V154 WeakPolarHBondContact O-CG2 3.14Å; V150-V154 PolarHBondContact O-N 2.67Å; V154-L157 PolarHBondContact O-N 3.3Å; V154-I159 HydrophobicContact CG1-CB 3.64Å; V154-I159 HydrophobicContact CG1-CG2 3.7Å; V154-I159 WeakPolarHBondContact O-CB 3.19Å; V154-I159 PolarHBondContact O-N 3.38Å
155	K	85.8	Confident	83.9	Confident	159 Å²	159	59.2 Å²	59.2	69%	0.691	31%	0.309	S	S	*	.	H	α-helix	trans	-67.1	-36	174.4	-173.9	176	-179.3	-179.6	0	112.6	E151 E152 E153 L157 Q158	E151-K155 WeakPolarHBondContact O-CB 2.92Å; E151-K155 PolarHBondContact O-N 2.91Å; E152-K155 PolarHBondContact O-N 3.36Å; E153-K155 VanDerWaalsContact C-N 3.35Å; K155-L157 VanDerWaalsContact C-N 3.25Å; K155-L157 PolarHBondContact O-N 3.5Å; K155-Q158 PolarHBondContact O-N 2.87Å
156	A	85.9	Confident	83.4	Confident	66 Å²	66	57.8 Å²	57.8	55%	0.545	30%	0.299	S	S	.	.	H	α-helix	trans	-61.3	-34.8	175.8	0	0	0	0	0	112.3	E152 E153 Q158	E152-A156 WeakPolarHBondContact O-CB 3.41Å; E152-A156 PolarHBondContact O-N 2.85Å; E153-A156 WeakPolarHBondContact O-CB 3.46Å; E153-A156 PolarHBondContact O-N 3.05Å; A156-Q158 PolarHBondContact O-N 2.68Å
157	L	86.4	Confident	83	Confident	10 Å²	10	53.4 Å²	53.4	5%	0.052	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	12.4	173.1	-66.6	174.8	0	0	0	114.1	E39 L116 K118 L123 E153 V154 K155 I159 P988	E39-L157 HydrophobicContact CG-CD2 3.75Å; L116-L157 HydrophobicContact CB-CD1 4.22Å; L116-L157 HydrophobicContact CD1-CD1 3.7Å; K118-L157 HydrophobicContact CB-CD2 4.22Å; K118-L157 HydrophobicContact CD-CD2 4.12Å; K118-L157 HydrophobicContact CG-CD2 3.97Å; L123-L157 HydrophobicContact CD2-CD1 3.7Å; E153-L157 PolarHBondContact O-N 2.93Å; V154-L157 PolarHBondContact O-N 3.3Å; K155-L157 VanDerWaalsContact C-N 3.25Å; K155-L157 PolarHBondContact O-N 3.5Å; L157-I159 HydrophobicContact CB-CD1 3.92Å; L157-I159 HydrophobicContact CB-CG1 4.12Å; L157-I159 HydrophobicContact CD1-CD1 4.34Å; L157-I159 PolarHBondContact O-N 2.92Å; L157-P988 WeakPolarHBondContact O-CG 3.39Å
158	Q	81.8	Confident	82.4	Confident	112 Å²	112	49.5 Å²	49.5	52%	0.523	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	27.6	-176.5	-55.2	-58.9	-34.5	0	0	114.5	K155 A156 P988	K155-Q158 PolarHBondContact O-N 2.87Å; A156-Q158 PolarHBondContact O-N 2.68Å; Q158-P988 VanDerWaalsContact O-CD 3.26Å; Q158-P988 WeakPolarHBondContact O-CD 3.45Å
159	I	86.5	Confident	81.7	Confident	7 Å²	7	43.7 Å²	43.7	4%	0.036	23%	0.233	C	C	.	.			trans	-89.7	122.5	176.2	-58	165.6	0	0	0	109.3	L86 L116 V154 L157 V161 P988 F989	L86-I159 HydrophobicContact CD1-CG2 4.22Å; L116-I159 HydrophobicContact CD1-CD1 3.68Å; L116-I159 HydrophobicContact CD2-CD1 4.31Å; V154-I159 HydrophobicContact CG1-CB 3.64Å; V154-I159 HydrophobicContact CG1-CG2 3.7Å; V154-I159 WeakPolarHBondContact O-CB 3.19Å; V154-I159 PolarHBondContact O-N 3.38Å; L157-I159 HydrophobicContact CB-CD1 3.92Å; L157-I159 HydrophobicContact CB-CG1 4.12Å; L157-I159 HydrophobicContact CD1-CD1 4.34Å; L157-I159 PolarHBondContact O-N 2.92Å; I159-V161 HydrophobicContact CG2-CG2 3.94Å; I159-P988 HydrophobicContact CG1-CG 3.59Å; I159-F989 HydrophobicContact CD1-CE1 3.98Å; I159-F989 HydrophobicContact CG1-CE1 3.92Å; I159-F989 HydrophobicContact CG2-CE1 3.89Å; I159-F989 HydrophobicContact CG2-CZ 3.95Å
160	Q	79.6	Confident	80.9	Confident	84 Å²	84	41.8 Å²	41.8	39%	0.393	23%	0.226	S	C	.	.			trans	-126	77	-177.1	-57.6	-175.8	6.2	0	0	110.7	G162 N163	Q160-G162 PolarHBondContact O-N 3.34Å; Q160-N163 HydrophobicContact CB-CB 3.68Å; Q160-N163 VanDerWaalsContact O-CB 3.32Å; Q160-N163 WeakPolarHBondContact O-CB 3.49Å; Q160-N163 PolarHBondContact O-N 3.31Å; Q160-N163 PolarHBondContact OE1-ND2 2.83Å
161	V	77.6	Confident	79.7	Confident	11 Å²	11	47.1 Å²	47.1	7%	0.067	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.1	-178.5	-170	0	0	0	0	113.6	C83 L86 I159 F167	C83-V161 HydrophobicContact CB-CG1 4.05Å; L86-V161 HydrophobicContact CB-CG2 3.64Å; L86-V161 VanDerWaalsContact O-CG2 3.27Å; L86-V161 WeakPolarHBondContact O-CG2 3.29Å; I159-V161 HydrophobicContact CG2-CG2 3.94Å; V161-F167 HydrophobicContact CG1-CD2 4.38Å; V161-F167 HydrophobicContact CG1-CG 4.29Å
162	G	71.6	Confident	78.5	Confident	68 Å²	68	45.4 Å²	45.4	70%	0.701	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-7.4	172.5	0	0	0	0	0	115.4	Q160	Q160-G162 PolarHBondContact O-N 3.34Å
163	N	76	Confident	77.4	Confident	9 Å²	9	42 Å²	42	5%	0.048	23%	0.228	C	C	.	.			trans	-86.2	119.2	-179.4	-178.4	-31.7	0	0	0	109.6	Q160 C165 Q166 F167 S191 N985	Q160-N163 HydrophobicContact CB-CB 3.68Å; Q160-N163 VanDerWaalsContact O-CB 3.32Å; Q160-N163 WeakPolarHBondContact O-CB 3.49Å; Q160-N163 PolarHBondContact O-N 3.31Å; Q160-N163 PolarHBondContact OE1-ND2 2.83Å; N163-C165 PolarHBondContact O-N 2.66Å; N163-C165 WeakPolarHBondContact OD1-CB 3.05Å; N163-C165 PolarHBondContact OD1-N 2.9Å; N163-Q166 HydrophobicContact CB-CB 4.32Å; N163-Q166 PolarHBondContact O-N 2.82Å; N163-F167 PolarHBondContact O-N 3.47Å; N163-S191 PolarHBondContact ND2-O 2.93Å; N163-S191 WeakPolarHBondContact OD1-CB 3.5Å; N163-N985 PolarHBondContact ND2-ND2 3.28Å
164	L	70.7	Confident	76.2	Confident	36 Å²	36	41.3 Å²	41.3	19%	0.188	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.3	-176.5	-69.9	170	0	0	0	113.2	L168 K172 F176 M179	L164-L168 HydrophobicContact CB-CD1 4.48Å; L164-L168 HydrophobicContact CD2-CD1 4.42Å; L164-K172 HydrophobicContact CD2-CB 4.09Å; L164-K172 HydrophobicContact CD2-CG 4.27Å; L164-F176 HydrophobicContact CD1-CD2 4.2Å; L164-M179 HydrophobicContact CD1-CE 4.11Å
165	C	72.4	Confident	75.2	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-33.3	175.1	-62	0	0	0	0	111.7	N163 S191 L981 Q982	N163-C165 PolarHBondContact O-N 2.66Å; N163-C165 WeakPolarHBondContact OD1-CB 3.05Å; N163-C165 PolarHBondContact OD1-N 2.9Å; C165-S191 VanDerWaalsContact SG-CB 3.56Å; C165-L981 VanDerWaalsContact SG-CB 3.53Å; C165-Q982 HydrophobicContact CB-CG 4.06Å; C165-Q982 VanDerWaalsContact O-CG 3.22Å; C165-Q982 WeakPolarHBondContact O-CG 3.42Å; C165-Q982 PolarHBondContact O-NE2 3.23Å
166	Q	80.3	Confident	74.4	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.009	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-40.8	176.8	-170.1	172	0.3	0	0	112.5	N163 C987 F989 R990 V991	N163-Q166 HydrophobicContact CB-CB 4.32Å; N163-Q166 PolarHBondContact O-N 2.82Å; Q166-C987 HydrophobicContact CB-CB 4.2Å; Q166-C987 VanDerWaalsContact CD-CB 3.42Å; Q166-C987 HydrophobicContact CG-CB 3.76Å; Q166-F989 WeakPolarHBondContact CG-O 3.08Å; Q166-F989 PolarHBondContact NE2-O 3.18Å; Q166-R990 CarbonylContact O-C 3.53Å; Q166-R990 WeakPolarHBondContact O-CA 3.38Å; Q166-V991 PolarHBondContact O-N 2.94Å
167	F	81.6	Confident	73.4	Confident	3 Å²	3	36.1 Å²	36.1	1%	0.013	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	98.3	-172.4	-161.2	-86.5	0	0	0	110.5	V79 I82 C83 T92 L93 V161 N163 P169 V991	V79-F167 HydrophobicContact CG1-CE1 4Å; V79-F167 HydrophobicContact CG1-CE2 4.22Å; V79-F167 HydrophobicContact CG1-CZ 3.4Å; V79-F167 VanDerWaalsContact CG1-CZ 3.4Å; V79-F167 WeakPolarHBondContact O-CZ 3.23Å; I82-F167 HydrophobicContact CB-CE2 4.36Å; I82-F167 HydrophobicContact CG2-CE2 3.97Å; C83-F167 HydrophobicContact CB-CE1 3.98Å; C83-F167 HydrophobicContact CB-CE2 4.16Å; C83-F167 HydrophobicContact CB-CZ 3.58Å; T92-F167 HydrophobicContact CG2-CD1 4.38Å; L93-F167 HydrophobicContact CD2-CE1 3.98Å; L93-F167 HydrophobicContact CD2-CZ 4.29Å; V161-F167 HydrophobicContact CG1-CD2 4.38Å; V161-F167 HydrophobicContact CG1-CG 4.29Å; N163-F167 PolarHBondContact O-N 3.47Å; F167-P169 HydrophobicContact CD1-CG 4.35Å; F167-P169 HydrophobicContact CE1-CB 4.34Å; F167-P169 HydrophobicContact CE1-CG 4.33Å; F167-P169 WeakPolarHBondContact O-CD 3.49Å; F167-V991 HydrophobicContact CD2-CB 3.72Å; F167-V991 HydrophobicContact CD2-CG1 4.3Å; F167-V991 HydrophobicContact CD2-CG2 3.77Å; F167-V991 HydrophobicContact CE2-CB 3.88Å; F167-V991 HydrophobicContact CE2-CG1 3.97Å; F167-V991 HydrophobicContact CE2-CG2 3.87Å; F167-V991 HydrophobicContact CG-CB 4.47Å; F167-V991 HydrophobicContact CZ-CG1 4.47Å
168	L	77.3	Confident	72.7	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	89.3	-176.5	-163.9	74.6	0	0	0	111.3	L164 K172 V173 L978 V991 D993 I995	L164-L168 HydrophobicContact CB-CD1 4.48Å; L164-L168 HydrophobicContact CD2-CD1 4.42Å; L168-K172 HydrophobicContact CD1-CB 4.4Å; L168-V173 HydrophobicContact CD2-CG2 3.97Å; L168-V173 HydrophobicContact CG-CG2 4.05Å; L168-L978 HydrophobicContact CD2-CD1 3.8Å; L168-V991 PolarHBondContact N-O 2.75Å; L168-D993 PolarHBondContact O-N 2.89Å; L168-I995 HydrophobicContact CD2-CD1 3.64Å; L168-I995 HydrophobicContact CD2-CG1 4.22Å
169	P	72.1	Confident	72.6	Confident	9 Å²	9	40.7 Å²	40.7	6%	0.058	23%	0.225	C	C	.	.			trans	-78.5	153.6	175.8	31.6	-32.3	0	0	0	111.4	T92 F167 E171 K172	T92-P169 HydrophobicContact CG2-CG 4.44Å; T92-P169 VanDerWaalsContact O-CG 3.25Å; T92-P169 WeakPolarHBondContact O-CG 3.17Å; F167-P169 HydrophobicContact CD1-CG 4.35Å; F167-P169 HydrophobicContact CE1-CB 4.34Å; F167-P169 HydrophobicContact CE1-CG 4.33Å; F167-P169 WeakPolarHBondContact O-CD 3.49Å; P169-E171 VanDerWaalsContact C-N 3.31Å; P169-E171 PolarHBondContact O-N 3.15Å; P169-K172 HydrophobicContact CG-CB 4.29Å; P169-K172 HydrophobicContact CG-CG 3.88Å; P169-K172 PolarHBondContact O-N 2.87Å
170	Q	71.6	Confident	72.5	Confident	65 Å²	65	42.9 Å²	42.9	30%	0.304	24%	0.241	S	C	.	.	H	α-helix	trans	-40.3	-48.8	-172.7	-178.7	172.8	28.8	0	0	115.3	K172 D993 E994	Q170-K172 VanDerWaalsContact C-N 3.34Å; Q170-K172 PolarHBondContact O-N 2.82Å; Q170-D993 WeakPolarHBondContact CA-O 3.14Å; Q170-E994 HydrophobicContact CG-CB 4.28Å; Q170-E994 PolarHBondContact NE2-OE2 3.08Å
171	E	63.7	Low	72.9	Confident	111 Å²	111	41.9 Å²	41.9	52%	0.519	24%	0.235	S	C	.	.	H	α-helix	trans	-69.7	-28	-176.3	-64.8	179	-166.3	0	0	113.2	G94 P169	G94-E171 WeakPolarHBondContact CA-OE2 3.44Å; P169-E171 VanDerWaalsContact C-N 3.31Å; P169-E171 PolarHBondContact O-N 3.15Å
172	K	63.7	Low	73.4	Confident	44 Å²	44	44.3 Å²	44.3	19%	0.191	25%	0.247	C	C	.	.	H	α-helix	trans	-78.5	-23.8	-177.1	-65.6	-54.2	-172.9	-171.6	0	114	L164 L168 P169 Q170 G174 E175 F176	L164-K172 HydrophobicContact CD2-CB 4.09Å; L164-K172 HydrophobicContact CD2-CG 4.27Å; L168-K172 HydrophobicContact CD1-CB 4.4Å; P169-K172 HydrophobicContact CG-CB 4.29Å; P169-K172 HydrophobicContact CG-CG 3.88Å; P169-K172 PolarHBondContact O-N 2.87Å; Q170-K172 VanDerWaalsContact C-N 3.34Å; Q170-K172 PolarHBondContact O-N 2.82Å; K172-G174 VanDerWaalsContact C-N 3.26Å; K172-G174 PolarHBondContact O-N 3.27Å; K172-E175 VanDerWaalsContact CD-CD 3.46Å; K172-E175 HydrophobicContact CD-CG 4.4Å; K172-E175 WeakPolarHBondContact CD-OE2 3.44Å; K172-E175 WeakPolarHBondContact CE-OE2 3.48Å; K172-E175 IonicContact NZ-OE1 3.2Å; K172-E175 PolarHBondContact NZ-OE1 3.35Å; K172-E175 IonicContact NZ-OE2 2.68Å; K172-E175 PolarHBondContact NZ-OE2 3.27Å; K172-E175 PolarHBondContact O-N 3.12Å; K172-E175 VanDerWaalsContact O-N 3.16Å; K172-F176 PolarHBondContact O-N 2.84Å
173	V	64.3	Low	74.1	Confident	28 Å²	28	46.3 Å²	46.3	17%	0.17	24%	0.238	C	C	.	.	H	α-helix	trans	-56.6	-44.3	172.7	-165.4	0	0	0	0	110.5	L168 A177 I995	L168-V173 HydrophobicContact CD2-CG2 3.97Å; L168-V173 HydrophobicContact CG-CG2 4.05Å; V173-A177 PolarHBondContact O-N 2.81Å; V173-I995 HydrophobicContact CG1-CG2 4.29Å; V173-I995 HydrophobicContact CG2-CG1 3.9Å
174	G	62.5	Low	74.5	Confident	36 Å²	36	46.6 Å²	46.6	37%	0.371	24%	0.24	S	C	.	.	H	α-helix	trans	-80.4	-10.1	179.6	0	0	0	0	0	115.3	K172 K178	K172-G174 VanDerWaalsContact C-N 3.26Å; K172-G174 PolarHBondContact O-N 3.27Å; G174-K178 WeakPolarHBondContact O-CD 3.29Å; G174-K178 WeakPolarHBondContact O-CE 3.21Å; G174-K178 WeakPolarHBondContact O-CG 3.31Å; G174-K178 PolarHBondContact O-NZ 2.85Å
175	E	67.4	Low	75.4	Confident	84 Å²	84	44.9 Å²	44.9	39%	0.393	23%	0.231	S	C	.	.	H	α-helix	trans	-82.6	-45.1	165.9	-75.1	179.8	-156.4	0	0	110.8	K172 A177 K178 M179	K172-E175 VanDerWaalsContact CD-CD 3.46Å; K172-E175 HydrophobicContact CD-CG 4.4Å; K172-E175 WeakPolarHBondContact CD-OE2 3.44Å; K172-E175 WeakPolarHBondContact CE-OE2 3.48Å; K172-E175 IonicContact NZ-OE1 3.2Å; K172-E175 PolarHBondContact NZ-OE1 3.35Å; K172-E175 IonicContact NZ-OE2 2.68Å; K172-E175 PolarHBondContact NZ-OE2 3.27Å; K172-E175 PolarHBondContact O-N 3.12Å; K172-E175 VanDerWaalsContact O-N 3.16Å; E175-A177 VanDerWaalsContact C-N 3.29Å; E175-A177 PolarHBondContact O-N 3.28Å; E175-K178 WeakPolarHBondContact O-CA 3.43Å; E175-K178 WeakPolarHBondContact O-CB 3.49Å; E175-K178 PolarHBondContact O-N 2.74Å; E175-M179 PolarHBondContact O-N 3.1Å
176	F	68.7	Low	76.1	Confident	10 Å²	10	46.8 Å²	46.8	4%	0.044	24%	0.24	C	C	.	.	H	α-helix	trans	-58.7	-41.4	-179	-161.8	-78.4	0	0	0	111.8	L164 K172 K178 M179 L184 T974 Y977 L978 L981	L164-F176 HydrophobicContact CD1-CD2 4.2Å; K172-F176 PolarHBondContact O-N 2.84Å; F176-K178 PolarHBondContact O-N 3.18Å; F176-M179 HydrophobicContact CB-SD 4.49Å; F176-M179 HydrophobicContact CD2-CE 4.21Å; F176-M179 HydrophobicContact CD2-SD 3.84Å; F176-M179 HydrophobicContact CE2-SD 4.29Å; F176-M179 HydrophobicContact CG-SD 4.16Å; F176-M179 PolarHBondContact O-N 3.2Å; F176-L184 HydrophobicContact CD1-CD1 4.27Å; F176-L184 HydrophobicContact CE1-CD1 3.36Å; F176-L184 HydrophobicContact CE2-CD1 4.27Å; F176-L184 HydrophobicContact CZ-CD1 3.37Å; F176-T974 HydrophobicContact CD1-CG2 3.6Å; F176-T974 HydrophobicContact CE1-CG2 4.3Å; F176-T974 HydrophobicContact CG-CG2 4.49Å; F176-Y977 AromaticContact CE1-CD1 3.77Å; F176-Y977 HydrophobicContact CE1-CD1 3.77Å; F176-Y977 HydrophobicContact CE1-CE1 4.09Å; F176-Y977 AromaticContact CZ-CD1 3.98Å; F176-Y977 HydrophobicContact CZ-CD1 3.98Å; F176-Y977 AromaticContact CZ-CE1 3.93Å; F176-Y977 HydrophobicContact CZ-CE1 3.93Å; F176-L978 HydrophobicContact CD1-CD1 4.26Å; F176-L978 HydrophobicContact CD1-CD2 4.23Å; F176-L978 HydrophobicContact CD1-CG 4.25Å; F176-L978 HydrophobicContact CD2-CD2 3.89Å; F176-L978 HydrophobicContact CE1-CD2 3.98Å; F176-L978 HydrophobicContact CE1-CG 4.08Å; F176-L978 HydrophobicContact CE2-CD2 3.63Å; F176-L978 HydrophobicContact CG-CD1 4.37Å; F176-L978 HydrophobicContact CG-CD2 4.17Å; F176-L978 HydrophobicContact CZ-CD2 3.66Å; F176-L978 HydrophobicContact CZ-CG 4.25Å; F176-L981 HydrophobicContact CZ-CD1 4.19Å
177	A	65.4	Low	76.2	Confident	28 Å²	28	47.4 Å²	47.4	23%	0.231	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	0.1	174.2	0	0	0	0	0	115.3	V173 E175 R970 T974	V173-A177 PolarHBondContact O-N 2.81Å; E175-A177 VanDerWaalsContact C-N 3.29Å; E175-A177 PolarHBondContact O-N 3.28Å; A177-R970 PolarHBondContact O-NH2 2.98Å; A177-T974 HydrophobicContact CB-CG2 4.09Å
178	K	71.9	Confident	76.4	Confident	162 Å²	162	47.2 Å²	47.2	70%	0.704	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.2	-7.9	176.8	-60.3	170.3	-173.6	158.5	0	113.6	G174 E175 F176	G174-K178 WeakPolarHBondContact O-CD 3.29Å; G174-K178 WeakPolarHBondContact O-CE 3.21Å; G174-K178 WeakPolarHBondContact O-CG 3.31Å; G174-K178 PolarHBondContact O-NZ 2.85Å; E175-K178 WeakPolarHBondContact O-CA 3.43Å; E175-K178 WeakPolarHBondContact O-CB 3.49Å; E175-K178 PolarHBondContact O-N 2.74Å; F176-K178 PolarHBondContact O-N 3.18Å
179	M	79.1	Confident	76.8	Confident	57 Å²	57	47.3 Å²	47.3	28%	0.281	24%	0.244	S	C	.	.			trans	-61.5	142.4	179.5	-72.1	173.6	178.7	0	0	111	L164 E175 F176 E183 A187	L164-M179 HydrophobicContact CD1-CE 4.11Å; E175-M179 PolarHBondContact O-N 3.1Å; F176-M179 HydrophobicContact CB-SD 4.49Å; F176-M179 HydrophobicContact CD2-CE 4.21Å; F176-M179 HydrophobicContact CD2-SD 3.84Å; F176-M179 HydrophobicContact CE2-SD 4.29Å; F176-M179 HydrophobicContact CG-SD 4.16Å; F176-M179 PolarHBondContact O-N 3.2Å; M179-E183 HydrophobicContact CB-CB 4.08Å; M179-E183 HydrophobicContact CG-CB 4.34Å; M179-A187 HydrophobicContact SD-CB 4.33Å
180	S	84.6	Confident	77.2	Confident	52 Å²	52	51.7 Å²	51.7	36%	0.364	26%	0.262	S	S	.	.			trans	-68.3	164.5	168.5	67.1	0	0	0	0	111.4	I182 E183 L184	S180-I182 PolarHBondContact O-N 3.09Å; S180-E183 WeakPolarHBondContact CB-OE2 3.2Å; S180-E183 PolarHBondContact N-OE2 3.33Å; S180-E183 PolarHBondContact O-N 3.34Å; S180-E183 WeakPolarHBondContact OG-CG 3.15Å; S180-E183 PolarHBondContact OG-N 3.14Å; S180-E183 PolarHBondContact OG-OE2 3.14Å; S180-L184 VanDerWaalsContact O-CB 3.28Å; S180-L184 WeakPolarHBondContact O-CB 2.83Å; S180-L184 PolarHBondContact O-N 3.48Å
181	K	88.1	Confident	77.4	Confident	63 Å²	63	49.1 Å²	49.1	27%	0.274	25%	0.252	S	S	.	.	H	α-helix	trans	-53.7	-37	176.9	-57.6	179.2	-174.2	178.6	0	112.5	L185 G944 I945 E959	K181-L185 PolarHBondContact O-N 2.96Å; K181-L185 VanDerWaalsContact O-N 3.09Å; K181-G944 CarbonylContact O-C 3.53Å; K181-G944 WeakPolarHBondContact O-CA 3.23Å; K181-I945 WeakPolarHBondContact CA-O 3.18Å; K181-I945 WeakPolarHBondContact CB-O 3.32Å; K181-I945 PolarHBondContact O-N 3.12Å; K181-E959 VanDerWaalsContact CE-CD 3.45Å; K181-E959 WeakPolarHBondContact CE-OE1 3.28Å; K181-E959 IonicContact NZ-OE1 3.28Å; K181-E959 PolarHBondContact NZ-OE1 3.38Å; K181-E959 IonicContact NZ-OE2 2.8Å; K181-E959 PolarHBondContact NZ-OE2 3Å
182	I	89.6	Confident	78.2	Confident	63 Å²	63	45 Å²	45	32%	0.323	23%	0.234	S	C	.	.	H	α-helix	trans	-75.1	-46	-177.3	-55.8	168	0	0	0	110.1	S180 L184 L185 E186	S180-I182 PolarHBondContact O-N 3.09Å; I182-L184 VanDerWaalsContact C-N 3.28Å; I182-L184 PolarHBondContact O-N 2.69Å; I182-L185 WeakPolarHBondContact O-CB 3.43Å; I182-L185 PolarHBondContact O-N 3.15Å; I182-E186 PolarHBondContact O-N 2.69Å
183	E	85.4	Confident	78.8	Confident	110 Å²	110	43.8 Å²	43.8	51%	0.514	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-36.8	174.2	-69	163	122	0	0	111.8	M179 S180 E186 A187	M179-E183 HydrophobicContact CB-CB 4.08Å; M179-E183 HydrophobicContact CG-CB 4.34Å; S180-E183 WeakPolarHBondContact CB-OE2 3.2Å; S180-E183 PolarHBondContact N-OE2 3.33Å; S180-E183 PolarHBondContact O-N 3.34Å; S180-E183 WeakPolarHBondContact OG-CG 3.15Å; S180-E183 PolarHBondContact OG-N 3.14Å; S180-E183 PolarHBondContact OG-OE2 3.14Å; E183-E186 PolarHBondContact O-N 2.83Å; E183-A187 WeakPolarHBondContact O-CB 3.4Å; E183-A187 PolarHBondContact O-N 3.48Å
184	L	85.3	Confident	79.5	Confident	15 Å²	15	45.6 Å²	45.6	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-37.8	175.4	-175.2	65.2	0	0	0	112.2	F176 S180 I182 T188 I945 I947 Y977	F176-L184 HydrophobicContact CD1-CD1 4.27Å; F176-L184 HydrophobicContact CE1-CD1 3.36Å; F176-L184 HydrophobicContact CE2-CD1 4.27Å; F176-L184 HydrophobicContact CZ-CD1 3.37Å; S180-L184 VanDerWaalsContact O-CB 3.28Å; S180-L184 WeakPolarHBondContact O-CB 2.83Å; S180-L184 PolarHBondContact O-N 3.48Å; I182-L184 VanDerWaalsContact C-N 3.28Å; I182-L184 PolarHBondContact O-N 2.69Å; L184-T188 VanDerWaalsContact O-CB 3.3Å; L184-T188 WeakPolarHBondContact O-CB 3.12Å; L184-T188 PolarHBondContact O-N 3.33Å; L184-T188 PolarHBondContact O-OG1 2.89Å; L184-I945 HydrophobicContact CD2-CB 4Å; L184-I945 HydrophobicContact CD2-CG2 3.91Å; L184-I945 HydrophobicContact CG-CB 4.13Å; L184-I945 HydrophobicContact CG-CG2 4.38Å; L184-I947 HydrophobicContact CD2-CD1 3.96Å; L184-I947 HydrophobicContact CD2-CG1 4.28Å; L184-Y977 HydrophobicContact CD1-CD1 4.34Å; L184-Y977 HydrophobicContact CD1-CE1 3.71Å; L184-Y977 HydrophobicContact CG-CE1 4.3Å
185	L	89.6	Confident	80.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-55.3	171.3	173.5	59.1	0	0	0	110.8	K181 I182 A187 T188 E189 W902 L906 L932 Y943 I945	K181-L185 PolarHBondContact O-N 2.96Å; K181-L185 VanDerWaalsContact O-N 3.09Å; I182-L185 WeakPolarHBondContact O-CB 3.43Å; I182-L185 PolarHBondContact O-N 3.15Å; L185-A187 VanDerWaalsContact C-N 3.26Å; L185-A187 PolarHBondContact O-N 2.88Å; L185-T188 WeakPolarHBondContact O-CA 3.24Å; L185-T188 WeakPolarHBondContact O-CB 3.37Å; L185-T188 PolarHBondContact O-N 3.34Å; L185-E189 HydrophobicContact CD1-CG 3.97Å; L185-E189 HydrophobicContact CG-CG 4.43Å; L185-E189 WeakPolarHBondContact O-CG 3.11Å; L185-E189 PolarHBondContact O-N 3.4Å; L185-W902 HydrophobicContact CD2-CZ2 4.48Å; L185-L906 HydrophobicContact CD1-CD1 3.62Å; L185-L906 HydrophobicContact CD1-CD2 3.92Å; L185-L906 HydrophobicContact CD1-CG 4.39Å; L185-L906 HydrophobicContact CD2-CD2 4.4Å; L185-L932 HydrophobicContact CD1-CD1 4.29Å; L185-L932 HydrophobicContact CD2-CD1 4.25Å; L185-Y943 WeakPolarHBondContact CD2-O 3.46Å; L185-I945 HydrophobicContact CB-CD1 4.44Å; L185-I945 HydrophobicContact CB-CG1 4.06Å; L185-I945 HydrophobicContact CD1-CD1 4.08Å; L185-I945 HydrophobicContact CD1-CG1 4.03Å
186	E	87.3	Confident	80.7	Confident	40 Å²	40	49 Å²	49	19%	0.187	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-36.1	-178.5	-69.5	-157.2	-178.9	0	0	112.4	I182 E183 T188 K190 Y198 K205	I182-E186 PolarHBondContact O-N 2.69Å; E183-E186 PolarHBondContact O-N 2.83Å; E186-T188 VanDerWaalsContact C-N 3.33Å; E186-K190 VanDerWaalsContact O-CB 3.31Å; E186-K190 WeakPolarHBondContact O-CB 3.01Å; E186-K190 VanDerWaalsContact O-CD 3.23Å; E186-K190 WeakPolarHBondContact O-CD 3.27Å; E186-K190 WeakPolarHBondContact O-CG 3.48Å; E186-K190 PolarHBondContact O-N 3.48Å; E186-K190 IonicContact OE2-NZ 3.99Å; E186-K190 PolarHBondContact OE2-NZ 3.41Å; E186-Y198 HydrophobicContact CB-CE2 4.2Å; E186-Y198 HydrophobicContact CG-CE2 3.95Å; E186-Y198 PolarHBondContact OE2-OH 3.42Å; E186-K205 IonicContact OE1-NZ 3.2Å; E186-K205 PolarHBondContact OE1-NZ 2.94Å
187	A	81.3	Confident	81.6	Confident	14 Å²	14	48.9 Å²	48.9	12%	0.116	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-36.9	174	0	0	0	0	0	111.9	M179 E183 L185 S191	M179-A187 HydrophobicContact SD-CB 4.33Å; E183-A187 WeakPolarHBondContact O-CB 3.4Å; E183-A187 PolarHBondContact O-N 3.48Å; L185-A187 VanDerWaalsContact C-N 3.26Å; L185-A187 PolarHBondContact O-N 2.88Å; A187-S191 WeakPolarHBondContact O-CB 3.27Å; A187-S191 PolarHBondContact O-N 3.25Å; A187-S191 PolarHBondContact O-OG 2.79Å
188	T	85.5	Confident	82.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.3	-47.3	177.4	-63.9	0	0	0	0	111.6	L184 L185 E186 K190 S191 V192 G193 I913 I945 Y977 L981	L184-T188 VanDerWaalsContact O-CB 3.3Å; L184-T188 WeakPolarHBondContact O-CB 3.12Å; L184-T188 PolarHBondContact O-N 3.33Å; L184-T188 PolarHBondContact O-OG1 2.89Å; L185-T188 WeakPolarHBondContact O-CA 3.24Å; L185-T188 WeakPolarHBondContact O-CB 3.37Å; L185-T188 PolarHBondContact O-N 3.34Å; E186-T188 VanDerWaalsContact C-N 3.33Å; T188-K190 VanDerWaalsContact C-N 3.35Å; T188-K190 PolarHBondContact O-N 3.46Å; T188-S191 PolarHBondContact O-N 3.36Å; T188-S191 VanDerWaalsContact O-N 3.13Å; T188-V192 PolarHBondContact O-N 2.86Å; T188-G193 PolarHBondContact O-N 3Å; T188-I913 HydrophobicContact CG2-CD1 3.62Å; T188-I945 HydrophobicContact CG2-CD1 3.79Å; T188-Y977 PolarHBondContact OG1-OH 3.42Å; T188-Y977 VanDerWaalsContact OG1-OH 3.09Å; T188-L981 HydrophobicContact CG2-CD2 3.75Å
189	E	86.5	Confident	83.2	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.009	26%	0.258	C	S	.	.	H	α-helix	trans	-57.5	-47.2	174.7	-66.2	174.8	130.4	0	0	111.2	L185 S191 G193 M197 Y198 H201 W902 L906	L185-E189 HydrophobicContact CD1-CG 3.97Å; L185-E189 HydrophobicContact CG-CG 4.43Å; L185-E189 WeakPolarHBondContact O-CG 3.11Å; L185-E189 PolarHBondContact O-N 3.4Å; E189-S191 VanDerWaalsContact C-N 3.25Å; E189-S191 PolarHBondContact O-N 2.79Å; E189-G193 VanDerWaalsContact O-CA 3.29Å; E189-G193 WeakPolarHBondContact O-CA 2.98Å; E189-G193 PolarHBondContact O-N 3.13Å; E189-M197 HydrophobicContact CB-SD 4.49Å; E189-M197 HydrophobicContact CG-CG 4.24Å; E189-M197 HydrophobicContact CG-SD 4.08Å; E189-Y198 HydrophobicContact CB-CD2 4.46Å; E189-H201 VanDerWaalsContact CD-ND1 3.27Å; E189-H201 IonicContact OE1-CE1 2.7Å; E189-H201 IonicContact OE1-CG 3.13Å; E189-H201 IonicContact OE1-ND1 3.12Å; E189-H201 PolarHBondContact OE1-ND1 2.61Å; E189-H201 IonicContact OE2-CE1 2.85Å; E189-H201 IonicContact OE2-CG 3.18Å; E189-H201 IonicContact OE2-ND1 3.91Å; E189-H201 PolarHBondContact OE2-ND1 2.72Å; E189-W902 PolarHBondContact OE1-NE1 3.42Å; E189-L906 HydrophobicContact CG-CD1 4.44Å
190	K	80.7	Confident	83.7	Confident	101 Å²	101	50.9 Å²	50.9	44%	0.439	26%	0.262	S	S	.	.	H	α-helix	trans	-67.4	-20.5	177.9	-70.2	163.1	-170.5	155.7	0	114.1	E186 T188 Y198	E186-K190 VanDerWaalsContact O-CB 3.31Å; E186-K190 WeakPolarHBondContact O-CB 3.01Å; E186-K190 VanDerWaalsContact O-CD 3.23Å; E186-K190 WeakPolarHBondContact O-CD 3.27Å; E186-K190 WeakPolarHBondContact O-CG 3.48Å; E186-K190 PolarHBondContact O-N 3.48Å; E186-K190 IonicContact OE2-NZ 3.99Å; E186-K190 PolarHBondContact OE2-NZ 3.41Å; T188-K190 VanDerWaalsContact C-N 3.35Å; T188-K190 PolarHBondContact O-N 3.46Å; K190-Y198 HydrophobicContact CD-CE2 4.47Å; K190-Y198 WeakPolarHBondContact CE-OH 3.21Å; K190-Y198 HydrophobicContact CG-CD1 4.28Å; K190-Y198 HydrophobicContact CG-CD2 4.22Å; K190-Y198 HydrophobicContact CG-CG 4.05Å; K190-Y198 VanDerWaalsContact NZ-CZ 3.29Å; K190-Y198 PolarHBondContact NZ-OH 3.22Å; K190-Y198 VanDerWaalsContact NZ-OH 3.11Å
191	S	75.5	Confident	83.9	Confident	11 Å²	11	48.4 Å²	48.4	8%	0.077	25%	0.245	C	C	.	.	H	α-helix	trans	-105.8	-26.9	-172.9	-58.1	0	0	0	0	114.6	N163 C165 A187 T188 E189 N985	N163-S191 PolarHBondContact ND2-O 2.93Å; N163-S191 WeakPolarHBondContact OD1-CB 3.5Å; C165-S191 VanDerWaalsContact SG-CB 3.56Å; A187-S191 WeakPolarHBondContact O-CB 3.27Å; A187-S191 PolarHBondContact O-N 3.25Å; A187-S191 PolarHBondContact O-OG 2.79Å; T188-S191 PolarHBondContact O-N 3.36Å; T188-S191 VanDerWaalsContact O-N 3.13Å; E189-S191 VanDerWaalsContact C-N 3.25Å; E189-S191 PolarHBondContact O-N 2.79Å; S191-N985 PolarHBondContact O-ND2 2.69Å
192	V	80	Confident	83.9	Confident	26 Å²	26	47.4 Å²	47.4	16%	0.158	25%	0.245	C	C	.	.	H	α-helix	trans	-135.9	-23.9	-174.2	-166	0	0	0	0	112.5	T188 L909 L981 L984 N985	T188-V192 PolarHBondContact O-N 2.86Å; V192-L909 HydrophobicContact CB-CD1 4.41Å; V192-L909 HydrophobicContact CG1-CD1 3.86Å; V192-L981 HydrophobicContact CG2-CB 3.8Å; V192-L981 HydrophobicContact CG2-CD2 3.91Å; V192-L981 HydrophobicContact CG2-CG 4.32Å; V192-L984 HydrophobicContact CG1-CB 3.59Å; V192-L984 HydrophobicContact CG1-CD1 4.42Å; V192-N985 HydrophobicContact CG2-CB 4.46Å
193	G	77.2	Confident	83.8	Confident	17 Å²	17	48.4 Å²	48.4	18%	0.175	25%	0.248	C	C	.	.	S	Bend	trans	-67.8	156.8	176.6	0	0	0	0	0	112.9	T188 E189	T188-G193 PolarHBondContact O-N 3Å; E189-G193 VanDerWaalsContact O-CA 3.29Å; E189-G193 WeakPolarHBondContact O-CA 2.98Å; E189-G193 PolarHBondContact O-N 3.13Å
194	P	77.6	Confident	84	Confident	67 Å²	67	43.2 Å²	43.2	44%	0.435	22%	0.224	S	C	.	.			trans	-54	146.7	163.8	-22.8	33.3	0	0	0	110.8	E196 M197	P194-E196 VanDerWaalsContact CB-OE2 3.28Å; P194-E196 WeakPolarHBondContact CB-OE2 3.39Å; P194-E196 PolarHBondContact O-N 3.34Å; P194-E196 VanDerWaalsContact O-N 3.09Å; P194-M197 VanDerWaalsContact O-CB 3.26Å; P194-M197 WeakPolarHBondContact O-CB 2.96Å; P194-M197 PolarHBondContact O-N 3.43Å
195	P	74.9	Confident	84.1	Confident	102 Å²	102	44.4 Å²	44.4	66%	0.662	23%	0.229	S	C	*	.	H	α-helix	trans	-51.4	-36.9	180	-27.7	35.6	0	0	0	113.8	M197	P195-M197 VanDerWaalsContact C-N 3.3Å; P195-M197 PolarHBondContact O-N 2.94Å
196	E	81.3	Confident	84	Confident	89 Å²	89	49.5 Å²	49.5	42%	0.416	26%	0.256	S	S	.	.	H	α-helix	trans	-69.6	-24.2	-179.6	-50.8	83	174.9	0	0	112.8	P194 Y198 E199 Y200	P194-E196 VanDerWaalsContact CB-OE2 3.28Å; P194-E196 WeakPolarHBondContact CB-OE2 3.39Å; P194-E196 PolarHBondContact O-N 3.34Å; P194-E196 VanDerWaalsContact O-N 3.09Å; E196-Y198 PolarHBondContact O-N 3.39Å; E196-E199 PolarHBondContact O-N 2.9Å; E196-Y200 HydrophobicContact CB-CD2 4.28Å; E196-Y200 HydrophobicContact CB-CE2 3.69Å; E196-Y200 WeakPolarHBondContact O-CD2 3.41Å; E196-Y200 VanDerWaalsContact O-CG 3.27Å; E196-Y200 PolarHBondContact O-N 2.84Å
197	M	86.7	Confident	84	Confident	8 Å²	8	49.4 Å²	49.4	4%	0.039	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-46.9	-175.9	178.1	178.4	-83.7	0	0	111.9	E189 P194 P195 E199 Y200 H201 W902 P905 L906 L909	E189-M197 HydrophobicContact CB-SD 4.49Å; E189-M197 HydrophobicContact CG-CG 4.24Å; E189-M197 HydrophobicContact CG-SD 4.08Å; P194-M197 VanDerWaalsContact O-CB 3.26Å; P194-M197 WeakPolarHBondContact O-CB 2.96Å; P194-M197 PolarHBondContact O-N 3.43Å; P195-M197 VanDerWaalsContact C-N 3.3Å; P195-M197 PolarHBondContact O-N 2.94Å; M197-E199 VanDerWaalsContact C-N 3.33Å; M197-Y200 PolarHBondContact O-N 2.85Å; M197-H201 PolarHBondContact O-N 3.04Å; M197-W902 VanDerWaalsContact O-CD1 3.31Å; M197-P905 HydrophobicContact CE-CB 3.71Å; M197-L906 HydrophobicContact CE-CB 4.3Å; M197-L906 HydrophobicContact SD-CD1 4.34Å; M197-L909 HydrophobicContact CE-CB 4.47Å; M197-L909 HydrophobicContact CE-CD2 4.12Å; M197-L909 HydrophobicContact SD-CD2 3.76Å
198	Y	86.1	Confident	84.3	Confident	65 Å²	65	50.1 Å²	50.1	26%	0.255	25%	0.254	S	S	.	.	H	α-helix	trans	-70.7	-31.6	176.7	-178.3	-107.3	0	0	0	112	E186 E189 K190 E196 H201 C202	E186-Y198 HydrophobicContact CB-CE2 4.2Å; E186-Y198 HydrophobicContact CG-CE2 3.95Å; E186-Y198 PolarHBondContact OE2-OH 3.42Å; E189-Y198 HydrophobicContact CB-CD2 4.46Å; K190-Y198 HydrophobicContact CD-CE2 4.47Å; K190-Y198 WeakPolarHBondContact CE-OH 3.21Å; K190-Y198 HydrophobicContact CG-CD1 4.28Å; K190-Y198 HydrophobicContact CG-CD2 4.22Å; K190-Y198 HydrophobicContact CG-CG 4.05Å; K190-Y198 VanDerWaalsContact NZ-CZ 3.29Å; K190-Y198 PolarHBondContact NZ-OH 3.22Å; K190-Y198 VanDerWaalsContact NZ-OH 3.11Å; E196-Y198 PolarHBondContact O-N 3.39Å; Y198-H201 WeakPolarHBondContact O-CB 3.26Å; Y198-H201 PolarHBondContact O-N 3.39Å; Y198-C202 PolarHBondContact O-N 3.18Å
199	E	86.3	Confident	84.3	Confident	133 Å²	133	54.4 Å²	54.4	62%	0.621	28%	0.277	S	S	*	.	H	α-helix	trans	-65.4	-44.2	175.1	-63.9	-175.4	167.2	0	0	111.2	E196 M197 H201 C202 E203	E196-E199 PolarHBondContact O-N 2.9Å; M197-E199 VanDerWaalsContact C-N 3.33Å; E199-H201 PolarHBondContact O-N 3.09Å; E199-C202 PolarHBondContact O-N 3.32Å; E199-E203 WeakPolarHBondContact O-CB 3.4Å; E199-E203 PolarHBondContact O-N 3.02Å
200	Y	89	Confident	84.3	Confident	91 Å²	91	59.6 Å²	59.6	36%	0.357	30%	0.3	S	S	.	.	H	α-helix	trans	-64.1	-36.3	172.9	-60.4	-38	0	0	0	112.7	E196 M197 E203 L204	E196-Y200 HydrophobicContact CB-CD2 4.28Å; E196-Y200 HydrophobicContact CB-CE2 3.69Å; E196-Y200 WeakPolarHBondContact O-CD2 3.41Å; E196-Y200 VanDerWaalsContact O-CG 3.27Å; E196-Y200 PolarHBondContact O-N 2.84Å; M197-Y200 PolarHBondContact O-N 2.85Å; Y200-E203 PolarHBondContact O-N 2.98Å; Y200-L204 WeakPolarHBondContact O-CB 3.38Å; Y200-L204 WeakPolarHBondContact O-CG 3.39Å; Y200-L204 PolarHBondContact O-N 3.41Å
201	H	89.4	Confident	84.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-45.9	173.8	-167.1	-178.1	0	0	0	111.2	E189 M197 Y198 E199 L204 K205 W902 Y940	E189-H201 VanDerWaalsContact CD-ND1 3.27Å; E189-H201 IonicContact OE1-CE1 2.7Å; E189-H201 IonicContact OE1-CG 3.13Å; E189-H201 IonicContact OE1-ND1 3.12Å; E189-H201 PolarHBondContact OE1-ND1 2.61Å; E189-H201 IonicContact OE2-CE1 2.85Å; E189-H201 IonicContact OE2-CG 3.18Å; E189-H201 IonicContact OE2-ND1 3.91Å; E189-H201 PolarHBondContact OE2-ND1 2.72Å; M197-H201 PolarHBondContact O-N 3.04Å; Y198-H201 WeakPolarHBondContact O-CB 3.26Å; Y198-H201 PolarHBondContact O-N 3.39Å; E199-H201 PolarHBondContact O-N 3.09Å; H201-L204 PolarHBondContact O-N 3.46Å; H201-K205 WeakPolarHBondContact CD2-CE 3.37Å; H201-K205 WeakPolarHBondContact NE2-CE 3.12Å; H201-K205 PolarHBondContact NE2-NZ 3.24Å; H201-K205 WeakPolarHBondContact O-CG 3.48Å; H201-K205 PolarHBondContact O-N 3.44Å; H201-K205 VanDerWaalsContact O-N 3.12Å; H201-W902 HydrophobicContact CB-CZ2 4.34Å; H201-W902 AromaticContact CD2-CE2 3.91Å; H201-W902 AromaticContact CD2-CZ2 3.48Å; H201-W902 VanDerWaalsContact CD2-CZ2 3.48Å; H201-W902 WeakPolarHBondContact CD2-CZ2 3.38Å; H201-W902 AromaticContact CE1-CZ2 3.77Å; H201-W902 AromaticContact CG-CE2 3.78Å; H201-W902 AromaticContact CG-CZ2 3.66Å; H201-W902 AromaticContact CG-NE1 3.72Å; H201-W902 AromaticContact ND1-CZ2 3.83Å; H201-W902 AromaticContact NE2-CZ2 3.62Å; H201-Y940 PolarHBondContact NE2-O 2.97Å; H201-Y940 VanDerWaalsContact NE2-O 3.13Å
202	C	86.9	Confident	85.2	Confident	41 Å²	41	60.1 Å²	60.1	28%	0.277	30%	0.298	S	S	.	.	H	α-helix	trans	-64.5	-38.6	173.5	-73.1	0	0	0	0	112.8	Y198 E199 K205 N206	Y198-C202 PolarHBondContact O-N 3.18Å; E199-C202 PolarHBondContact O-N 3.32Å; C202-K205 PolarHBondContact O-N 3.14Å; C202-N206 PolarHBondContact O-N 3.31Å; C202-N206 PolarHBondContact O-ND2 3.41Å
203	E	88.1	Confident	85.6	Confident	85 Å²	85	64.8 Å²	64.8	40%	0.397	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-43.9	176.1	-172.9	169.7	-141.2	0	0	111.6	E199 Y200 N206 F207	E199-E203 WeakPolarHBondContact O-CB 3.4Å; E199-E203 PolarHBondContact O-N 3.02Å; Y200-E203 PolarHBondContact O-N 2.98Å; E203-N206 CarbonylContact O-C 3.43Å; E203-N206 WeakPolarHBondContact O-CB 3.48Å; E203-N206 PolarHBondContact O-N 3.36Å; E203-N206 VanDerWaalsContact O-N 3.16Å; E203-F207 VanDerWaalsContact CD-CZ 3.43Å; E203-F207 HydrophobicContact CG-CD1 4Å; E203-F207 HydrophobicContact CG-CD2 4.32Å; E203-F207 HydrophobicContact CG-CE1 3.46Å; E203-F207 VanDerWaalsContact CG-CE1 3.46Å; E203-F207 HydrophobicContact CG-CE2 3.82Å; E203-F207 HydrophobicContact CG-CG 4.41Å; E203-F207 HydrophobicContact CG-CZ 3.37Å; E203-F207 WeakPolarHBondContact O-CD1 3.38Å; E203-F207 WeakPolarHBondContact O-CG 3.25Å; E203-F207 PolarHBondContact O-N 3.05Å; E203-F207 VanDerWaalsContact OE1-CZ 3.25Å; E203-F207 WeakPolarHBondContact OE1-CZ 3.49Å
204	L	88.4	Confident	86.2	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-42.6	175.7	-77.2	167.7	0	0	0	113.2	Y200 H201 N206 F207 R208 A898 K899 W902 Y940	Y200-L204 WeakPolarHBondContact O-CB 3.38Å; Y200-L204 WeakPolarHBondContact O-CG 3.39Å; Y200-L204 PolarHBondContact O-N 3.41Å; H201-L204 PolarHBondContact O-N 3.46Å; L204-N206 VanDerWaalsContact C-N 3.28Å; L204-N206 PolarHBondContact O-N 3.09Å; L204-F207 PolarHBondContact O-N 3.23Å; L204-R208 PolarHBondContact O-N 2.94Å; L204-A898 HydrophobicContact CD2-CB 3.75Å; L204-A898 HydrophobicContact CG-CB 4.37Å; L204-K899 HydrophobicContact CD2-CB 4.4Å; L204-W902 HydrophobicContact CD1-CB 3.72Å; L204-W902 HydrophobicContact CD1-CD2 3.86Å; L204-W902 HydrophobicContact CD1-CE3 3.6Å; L204-W902 HydrophobicContact CD1-CG 3.96Å; L204-W902 HydrophobicContact CD1-CZ3 4.43Å; L204-Y940 HydrophobicContact CB-CD1 4.42Å; L204-Y940 HydrophobicContact CB-CD2 3.84Å; L204-Y940 HydrophobicContact CB-CE2 4.27Å; L204-Y940 HydrophobicContact CB-CG 3.93Å; L204-Y940 HydrophobicContact CD1-CD1 4.46Å; L204-Y940 HydrophobicContact CD2-CE1 4.45Å; L204-Y940 HydrophobicContact CD2-CE2 4.09Å
205	K	87.8	Confident	86.8	Confident	40 Å²	40	65.6 Å²	65.6	17%	0.174	31%	0.312	C	S	.	.	H	α-helix	trans	-58.5	-40.9	172.5	-67.6	-179.2	-162.6	-165	0	111.1	E186 H201 C202 N209 D941	E186-K205 IonicContact OE1-NZ 3.2Å; E186-K205 PolarHBondContact OE1-NZ 2.94Å; H201-K205 WeakPolarHBondContact CD2-CE 3.37Å; H201-K205 WeakPolarHBondContact NE2-CE 3.12Å; H201-K205 PolarHBondContact NE2-NZ 3.24Å; H201-K205 WeakPolarHBondContact O-CG 3.48Å; H201-K205 PolarHBondContact O-N 3.44Å; H201-K205 VanDerWaalsContact O-N 3.12Å; C202-K205 PolarHBondContact O-N 3.14Å; K205-N209 PolarHBondContact O-N 2.89Å; K205-N209 PolarHBondContact O-ND2 3.45Å; K205-D941 HydrophobicContact CD-CB 4.27Å; K205-D941 HydrophobicContact CG-CB 4.36Å
206	N	87.6	Confident	87.6	Confident	106 Å²	106	64.6 Å²	64.6	57%	0.567	30%	0.302	S	S	*	.	H	α-helix	trans	-69.5	-41.1	176	-72.5	-42.1	0	0	0	113	C202 E203 L204 N209 K210	C202-N206 PolarHBondContact O-N 3.31Å; C202-N206 PolarHBondContact O-ND2 3.41Å; E203-N206 CarbonylContact O-C 3.43Å; E203-N206 WeakPolarHBondContact O-CB 3.48Å; E203-N206 PolarHBondContact O-N 3.36Å; E203-N206 VanDerWaalsContact O-N 3.16Å; L204-N206 VanDerWaalsContact C-N 3.28Å; L204-N206 PolarHBondContact O-N 3.09Å; N206-N209 PolarHBondContact O-N 3.14Å; N206-K210 PolarHBondContact O-N 3.32Å
207	F	88.4	Confident	88	Confident	38 Å²	38	63.1 Å²	63.1	17%	0.167	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-42.2	178.6	-72.7	-3.3	0	0	0	112.1	E203 L204 N209 K210 E211 Y891 I895 A898	E203-F207 VanDerWaalsContact CD-CZ 3.43Å; E203-F207 HydrophobicContact CG-CD1 4Å; E203-F207 HydrophobicContact CG-CD2 4.32Å; E203-F207 HydrophobicContact CG-CE1 3.46Å; E203-F207 VanDerWaalsContact CG-CE1 3.46Å; E203-F207 HydrophobicContact CG-CE2 3.82Å; E203-F207 HydrophobicContact CG-CG 4.41Å; E203-F207 HydrophobicContact CG-CZ 3.37Å; E203-F207 WeakPolarHBondContact O-CD1 3.38Å; E203-F207 WeakPolarHBondContact O-CG 3.25Å; E203-F207 PolarHBondContact O-N 3.05Å; E203-F207 VanDerWaalsContact OE1-CZ 3.25Å; E203-F207 WeakPolarHBondContact OE1-CZ 3.49Å; L204-F207 PolarHBondContact O-N 3.23Å; F207-N209 VanDerWaalsContact C-N 3.32Å; F207-N209 PolarHBondContact O-N 3Å; F207-K210 CarbonylContact O-C 3.56Å; F207-K210 PolarHBondContact O-N 2.71Å; F207-K210 VanDerWaalsContact O-N 3.09Å; F207-E211 PolarHBondContact O-N 3.19Å; F207-Y891 HydrophobicContact CB-CE1 4.47Å; F207-Y891 WeakPolarHBondContact CD1-OH 3.49Å; F207-I895 HydrophobicContact CB-CD1 4.06Å; F207-I895 HydrophobicContact CB-CG1 3.78Å; F207-I895 HydrophobicContact CD2-CG1 3.95Å; F207-I895 HydrophobicContact CG-CG1 4.26Å; F207-A898 HydrophobicContact CD2-CB 4.28Å; F207-A898 HydrophobicContact CE2-CB 3.96Å
208	R	86.3	Confident	88.3	Confident	30 Å²	30	63.9 Å²	63.9	11%	0.113	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-36.1	179	-175.1	55.1	163.6	178.5	-2.5	113	L204 E211 R212 E938 Y940	L204-R208 PolarHBondContact O-N 2.94Å; R208-E211 VanDerWaalsContact CD-OE2 3.26Å; R208-E211 WeakPolarHBondContact CD-OE2 3.37Å; R208-E211 IonicContact CZ-OE2 2.77Å; R208-E211 IonicContact NE-OE2 2.75Å; R208-E211 IonicContact NH1-OE1 3.05Å; R208-E211 IonicContact NH1-OE2 3.14Å; R208-E211 PolarHBondContact NH1-OE2 3.29Å; R208-R212 PolarHBondContact O-N 3.24Å; R208-E938 IonicContact CZ-OE2 3.52Å; R208-E938 VanDerWaalsContact CZ-OE2 3.24Å; R208-E938 PolarHBondContact NE-O 3.43Å; R208-E938 IonicContact NH1-OE2 3.61Å; R208-E938 PolarHBondContact NH1-OE2 3.33Å; R208-E938 VanDerWaalsContact NH1-OE2 3.1Å; R208-E938 IonicContact NH2-OE2 3.37Å; R208-E938 PolarHBondContact NH2-OE2 3.47Å; R208-Y940 HydrophobicContact CB-CD2 4.08Å; R208-Y940 HydrophobicContact CB-CE2 4.25Å
209	N	85.9	Confident	88.5	Confident	89 Å²	89	68 Å²	68	48%	0.476	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-43.8	171.6	-73.8	-38.4	0	0	0	111.5	K205 N206 F207 R212 E213	K205-N209 PolarHBondContact O-N 2.89Å; K205-N209 PolarHBondContact O-ND2 3.45Å; N206-N209 PolarHBondContact O-N 3.14Å; F207-N209 VanDerWaalsContact C-N 3.32Å; F207-N209 PolarHBondContact O-N 3Å; N209-R212 WeakPolarHBondContact O-CB 3.38Å; N209-R212 PolarHBondContact O-N 3.27Å; N209-E213 PolarHBondContact O-N 3.39Å; N209-E213 VanDerWaalsContact O-N 3.08Å
210	K	85.8	Confident	88.7	Confident	112 Å²	112	68.2 Å²	68.2	49%	0.487	32%	0.324	S	S	.	.	H	α-helix	trans	-73.5	-28.6	-178.7	-164.8	164.7	-171.7	171.5	0	113.9	N206 F207 L214 Y891	N206-K210 PolarHBondContact O-N 3.32Å; F207-K210 CarbonylContact O-C 3.56Å; F207-K210 PolarHBondContact O-N 2.71Å; F207-K210 VanDerWaalsContact O-N 3.09Å; K210-L214 WeakPolarHBondContact O-CG 3.42Å; K210-L214 PolarHBondContact O-N 3.21Å; K210-L214 VanDerWaalsContact O-N 3.13Å; K210-Y891 HydrophobicContact CB-CE1 4.01Å; K210-Y891 HydrophobicContact CG-CE1 4.22Å
211	E	88.1	Confident	88.8	Confident	11 Å²	11	66.7 Å²	66.7	5%	0.051	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-50.8	166.9	-174.1	-170	-169.2	0	0	110.1	F207 R208 E213 L214 E215 L888 Y891 R892 I895	F207-E211 PolarHBondContact O-N 3.19Å; R208-E211 VanDerWaalsContact CD-OE2 3.26Å; R208-E211 WeakPolarHBondContact CD-OE2 3.37Å; R208-E211 IonicContact CZ-OE2 2.77Å; R208-E211 IonicContact NE-OE2 2.75Å; R208-E211 IonicContact NH1-OE1 3.05Å; R208-E211 IonicContact NH1-OE2 3.14Å; R208-E211 PolarHBondContact NH1-OE2 3.29Å; E211-E213 VanDerWaalsContact C-N 3.28Å; E211-E213 PolarHBondContact O-N 3.27Å; E211-L214 CarbonylContact O-C 3.42Å; E211-L214 WeakPolarHBondContact O-CA 3.32Å; E211-L214 WeakPolarHBondContact O-CB 2.94Å; E211-L214 PolarHBondContact O-N 3.23Å; E211-E215 HydrophobicContact CG-CG 4.47Å; E211-E215 WeakPolarHBondContact O-CG 3.16Å; E211-E215 PolarHBondContact O-N 3.3Å; E211-L888 HydrophobicContact CG-CD1 3.96Å; E211-Y891 HydrophobicContact CB-CD1 4.45Å; E211-R892 HydrophobicContact CG-CG 4.36Å; E211-R892 VanDerWaalsContact OE1-CG 3.22Å; E211-R892 WeakPolarHBondContact OE1-CG 3.22Å; E211-R892 IonicContact OE1-CZ 3.2Å; E211-R892 IonicContact OE1-NE 3.59Å; E211-R892 PolarHBondContact OE1-NE 3.4Å; E211-R892 IonicContact OE1-NH2 2.8Å; E211-I895 HydrophobicContact CB-CD1 3.93Å; E211-I895 HydrophobicContact CG-CD1 4.3Å
212	R	88.2	Confident	88.8	Confident	111 Å²	111	68.5 Å²	68.5	42%	0.419	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-33.6	179	-170.4	178.7	-72.5	163.9	-5.2	112.8	R208 N209 N216	R208-R212 PolarHBondContact O-N 3.24Å; N209-R212 WeakPolarHBondContact O-CB 3.38Å; N209-R212 PolarHBondContact O-N 3.27Å; R212-N216 PolarHBondContact O-N 3.11Å; R212-N216 PolarHBondContact O-ND2 3.16Å
213	E	88.1	Confident	89	Confident	124 Å²	124	69 Å²	69	58%	0.579	34%	0.338	S	S	*	.	H	α-helix	trans	-62.7	-48.1	169.1	-70.4	177.2	170.6	0	0	112	N209 E211 N216 V217	N209-E213 PolarHBondContact O-N 3.39Å; N209-E213 VanDerWaalsContact O-N 3.08Å; E211-E213 VanDerWaalsContact C-N 3.28Å; E211-E213 PolarHBondContact O-N 3.27Å; E213-N216 PolarHBondContact O-N 2.91Å; E213-V217 WeakPolarHBondContact O-CG2 3.44Å; E213-V217 PolarHBondContact O-N 3.18Å; E213-V217 VanDerWaalsContact O-N 3.09Å
214	L	88.6	Confident	89.1	Confident	41 Å²	41	70.6 Å²	70.6	22%	0.215	34%	0.344	C	S	.	.	H	α-helix	trans	-66.3	-39.5	179.8	-71.6	170.6	0	0	0	112.4	K210 E211 V217 V218 L888 Y891	K210-L214 WeakPolarHBondContact O-CG 3.42Å; K210-L214 PolarHBondContact O-N 3.21Å; K210-L214 VanDerWaalsContact O-N 3.13Å; E211-L214 CarbonylContact O-C 3.42Å; E211-L214 WeakPolarHBondContact O-CA 3.32Å; E211-L214 WeakPolarHBondContact O-CB 2.94Å; E211-L214 PolarHBondContact O-N 3.23Å; L214-V217 PolarHBondContact O-N 3.47Å; L214-V218 WeakPolarHBondContact O-CG2 3.4Å; L214-V218 PolarHBondContact O-N 3.1Å; L214-L888 HydrophobicContact CB-CD1 3.82Å; L214-Y891 HydrophobicContact CD1-CD1 3.9Å; L214-Y891 HydrophobicContact CD1-CG 4.1Å
215	E	90.8	Very high	89.3	Confident	60 Å²	60	71.2 Å²	71.2	28%	0.28	35%	0.347	S	S	.	.	H	α-helix	trans	-57.1	-46.9	172.4	-74.4	-177.5	152.3	0	0	111.9	E211 V218 K219 L888 R892	E211-E215 HydrophobicContact CG-CG 4.47Å; E211-E215 WeakPolarHBondContact O-CG 3.16Å; E211-E215 PolarHBondContact O-N 3.3Å; E215-V218 PolarHBondContact O-N 3.09Å; E215-K219 VanDerWaalsContact O-CB 3.26Å; E215-K219 WeakPolarHBondContact O-CB 3.39Å; E215-K219 PolarHBondContact O-N 3.43Å; E215-L888 HydrophobicContact CG-CD1 4.07Å; E215-L888 HydrophobicContact CG-CD2 4.01Å; E215-R892 IonicContact OE1-CZ 2.72Å; E215-R892 IonicContact OE1-NH2 3.75Å; E215-R892 PolarHBondContact OE1-NH2 3.17Å
216	N	91.2	Very high	89.4	Confident	82 Å²	82	74.4 Å²	74.4	44%	0.439	36%	0.363	S	S	.	.	H	α-helix	trans	-62	-44.6	177.5	-76.5	-37.4	0	0	0	111.4	R212 E213 V218 K219 E220	R212-N216 PolarHBondContact O-N 3.11Å; R212-N216 PolarHBondContact O-ND2 3.16Å; E213-N216 PolarHBondContact O-N 2.91Å; N216-V218 PolarHBondContact O-N 3.35Å; N216-K219 PolarHBondContact O-N 2.97Å; N216-E220 WeakPolarHBondContact O-CB 3.47Å; N216-E220 WeakPolarHBondContact O-CG 3.35Å; N216-E220 PolarHBondContact O-N 3.39Å
217	V	90.3	Very high	89.5	Confident	57 Å²	57	75 Å²	75	35%	0.345	36%	0.36	S	S	.	.	H	α-helix	trans	-62.5	-39.4	176.7	171.1	0	0	0	0	112.3	E213 L214 K221	E213-V217 WeakPolarHBondContact O-CG2 3.44Å; E213-V217 PolarHBondContact O-N 3.18Å; E213-V217 VanDerWaalsContact O-N 3.09Å; L214-V217 PolarHBondContact O-N 3.47Å; V217-K221 PolarHBondContact O-N 2.93Å
218	V	92.3	Very high	89.5	Confident	25 Å²	25	74.4 Å²	74.4	15%	0.152	36%	0.362	C	S	.	.	H	α-helix	trans	-65.1	-45.1	174.5	168.3	0	0	0	0	110.6	L214 E215 N216 K221 A222 L881 K884 L888	L214-V218 WeakPolarHBondContact O-CG2 3.4Å; L214-V218 PolarHBondContact O-N 3.1Å; E215-V218 PolarHBondContact O-N 3.09Å; N216-V218 PolarHBondContact O-N 3.35Å; V218-K221 PolarHBondContact O-N 2.82Å; V218-A222 VanDerWaalsContact O-CB 3.31Å; V218-A222 WeakPolarHBondContact O-CB 3.37Å; V218-A222 PolarHBondContact O-N 2.96Å; V218-L881 HydrophobicContact CG1-CD1 4.02Å; V218-L881 WeakPolarHBondContact O-CD1 3.4Å; V218-K884 HydrophobicContact CG2-CB 3.89Å; V218-L888 HydrophobicContact CG2-CD2 4.3Å
219	K	91.8	Very high	89.6	Confident	151 Å²	151	77 Å²	77	66%	0.657	37%	0.374	S	S	*	.	H	α-helix	trans	-64.3	-39.3	178.9	-173.4	176.3	-179.3	178.6	0	112.8	E215 N216 S223	E215-K219 VanDerWaalsContact O-CB 3.26Å; E215-K219 WeakPolarHBondContact O-CB 3.39Å; E215-K219 PolarHBondContact O-N 3.43Å; N216-K219 PolarHBondContact O-N 2.97Å; K219-S223 WeakPolarHBondContact O-CB 3.36Å; K219-S223 PolarHBondContact O-N 2.91Å
220	E	90.1	Very high	89.7	Confident	137 Å²	137	77.9 Å²	77.9	64%	0.64	38%	0.375	S	S	*	.	H	α-helix	trans	-65.7	-50.2	173.6	-76.4	-178.7	174.3	0	0	111.8	N216 A222 S223 F224	N216-E220 WeakPolarHBondContact O-CB 3.47Å; N216-E220 WeakPolarHBondContact O-CG 3.35Å; N216-E220 PolarHBondContact O-N 3.39Å; E220-A222 VanDerWaalsContact C-N 3.3Å; E220-A222 PolarHBondContact O-N 3.48Å; E220-S223 PolarHBondContact O-N 2.96Å; E220-F224 PolarHBondContact O-N 2.66Å
221	K	89.9	Confident	89.6	Confident	59 Å²	59	81 Å²	81	26%	0.257	38%	0.384	S	S	.	.	H	α-helix	trans	-61.2	-38.1	176.5	-80	-155.9	175.6	-165.3	0	111.9	V217 V218 F224 L225 E880 L881	V217-K221 PolarHBondContact O-N 2.93Å; V218-K221 PolarHBondContact O-N 2.82Å; K221-F224 PolarHBondContact O-N 3.19Å; K221-L225 WeakPolarHBondContact O-CB 3.31Å; K221-L225 PolarHBondContact O-N 3.13Å; K221-E880 IonicContact NZ-OE2 2.69Å; K221-E880 PolarHBondContact NZ-OE2 3.42Å; K221-L881 HydrophobicContact CB-CD1 3.93Å
222	A	91.3	Very high	89.5	Confident	39 Å²	39	80.8 Å²	80.8	32%	0.322	38%	0.384	S	S	.	.	H	α-helix	trans	-62.5	-47.5	173.3	0	0	0	0	0	111.8	V218 E220 F224 L225 E226 L881	V218-A222 VanDerWaalsContact O-CB 3.31Å; V218-A222 WeakPolarHBondContact O-CB 3.37Å; V218-A222 PolarHBondContact O-N 2.96Å; E220-A222 VanDerWaalsContact C-N 3.3Å; E220-A222 PolarHBondContact O-N 3.48Å; A222-F224 VanDerWaalsContact C-N 3.3Å; A222-F224 PolarHBondContact O-N 3.22Å; A222-L225 PolarHBondContact O-N 3.09Å; A222-E226 WeakPolarHBondContact O-CB 3.45Å; A222-E226 PolarHBondContact O-N 3.16Å; A222-L881 HydrophobicContact CB-CD1 4.28Å; A222-L881 HydrophobicContact CB-CD2 4.13Å
223	S	90.6	Very high	89.3	Confident	52 Å²	52	80.6 Å²	80.6	36%	0.364	39%	0.387	S	S	.	.	H	α-helix	trans	-63.2	-33.6	176.5	-171.2	0	0	0	0	113.2	K219 E220 K227	K219-S223 WeakPolarHBondContact O-CB 3.36Å; K219-S223 PolarHBondContact O-N 2.91Å; E220-S223 PolarHBondContact O-N 2.96Å; S223-K227 VanDerWaalsContact O-CD 3.28Å; S223-K227 WeakPolarHBondContact O-CD 3.36Å; S223-K227 VanDerWaalsContact O-CG 3.28Å; S223-K227 WeakPolarHBondContact O-CG 3.37Å; S223-K227 PolarHBondContact O-N 3.49Å; S223-K227 PolarHBondContact OG-NZ 2.66Å
224	F	90.3	Very high	88.9	Confident	118 Å²	118	83.5 Å²	83.5	52%	0.518	39%	0.393	S	S	.	.	H	α-helix	trans	-70	-45.2	174.9	-171.9	-93.4	0	0	0	111.6	E220 K221 A222 E226 K227 A228 L877	E220-F224 PolarHBondContact O-N 2.66Å; K221-F224 PolarHBondContact O-N 3.19Å; A222-F224 VanDerWaalsContact C-N 3.3Å; A222-F224 PolarHBondContact O-N 3.22Å; F224-E226 PolarHBondContact O-N 3.06Å; F224-K227 PolarHBondContact O-N 2.89Å; F224-A228 PolarHBondContact O-N 3.21Å; F224-L877 HydrophobicContact CD1-CD1 3.99Å; F224-L877 HydrophobicContact CD1-CD2 4.16Å; F224-L877 HydrophobicContact CE1-CD1 3.81Å; F224-L877 HydrophobicContact CE1-CD2 4.23Å
225	L	92.1	Very high	88.5	Confident	14 Å²	14	83 Å²	83	7%	0.073	39%	0.39	C	S	.	.	H	α-helix	trans	-60.3	-43.6	175.3	176.7	64	0	0	0	112.1	K221 A222 K227 A228 K229 I874 L877 E878 L881	K221-L225 WeakPolarHBondContact O-CB 3.31Å; K221-L225 PolarHBondContact O-N 3.13Å; A222-L225 PolarHBondContact O-N 3.09Å; L225-K227 PolarHBondContact O-N 3.46Å; L225-A228 WeakPolarHBondContact O-CB 3.49Å; L225-A228 PolarHBondContact O-N 3.39Å; L225-K229 HydrophobicContact CD1-CD 4.49Å; L225-K229 HydrophobicContact CD1-CG 4.35Å; L225-K229 HydrophobicContact CG-CD 4.42Å; L225-K229 WeakPolarHBondContact O-CG 3.3Å; L225-K229 PolarHBondContact O-N 2.95Å; L225-I874 HydrophobicContact CD1-CG2 4.02Å; L225-L877 HydrophobicContact CD1-CB 3.97Å; L225-E878 HydrophobicContact CD1-CG 3.89Å; L225-E878 HydrophobicContact CD2-CG 3.72Å; L225-E878 HydrophobicContact CG-CG 4.44Å; L225-L881 HydrophobicContact CD2-CD2 3.71Å
226	E	90.4	Very high	88	Confident	107 Å²	107	83.4 Å²	83.4	50%	0.5	39%	0.391	S	S	.	.	H	α-helix	trans	-54	-50.7	174.1	-173.2	66	-132.9	0	0	111	A222 F224 A228 K229 Q230	A222-E226 WeakPolarHBondContact O-CB 3.45Å; A222-E226 PolarHBondContact O-N 3.16Å; F224-E226 PolarHBondContact O-N 3.06Å; E226-A228 PolarHBondContact O-N 3.16Å; E226-K229 PolarHBondContact O-N 3.21Å; E226-Q230 WeakPolarHBondContact O-CB 3.39Å; E226-Q230 VanDerWaalsContact O-CG 3.31Å; E226-Q230 WeakPolarHBondContact O-CG 3.45Å; E226-Q230 PolarHBondContact O-N 2.93Å; E226-Q230 PolarHBondContact OE1-NE2 3.32Å
227	K	90	Very high	87.6	Confident	119 Å²	119	83.9 Å²	83.9	52%	0.517	39%	0.393	S	S	.	.	H	α-helix	trans	-64.8	-36	177.2	-69.6	161.2	-175.8	150.4	0	112.6	S223 F224 L225 R231	S223-K227 VanDerWaalsContact O-CD 3.28Å; S223-K227 WeakPolarHBondContact O-CD 3.36Å; S223-K227 VanDerWaalsContact O-CG 3.28Å; S223-K227 WeakPolarHBondContact O-CG 3.37Å; S223-K227 PolarHBondContact O-N 3.49Å; S223-K227 PolarHBondContact OG-NZ 2.66Å; F224-K227 PolarHBondContact O-N 2.89Å; L225-K227 PolarHBondContact O-N 3.46Å; K227-R231 WeakPolarHBondContact O-CB 3.49Å; K227-R231 WeakPolarHBondContact O-CG 3.47Å; K227-R231 PolarHBondContact O-N 3.47Å
228	A	88.1	Confident	87	Confident	24 Å²	24	83.9 Å²	83.9	20%	0.198	39%	0.391	C	S	.	.	H	α-helix	trans	-66.2	-46.7	175.7	0	0	0	0	0	111.4	F224 L225 E226 R231 N232 I874 L877	F224-A228 PolarHBondContact O-N 3.21Å; L225-A228 WeakPolarHBondContact O-CB 3.49Å; L225-A228 PolarHBondContact O-N 3.39Å; E226-A228 PolarHBondContact O-N 3.16Å; A228-R231 PolarHBondContact O-N 3.36Å; A228-N232 PolarHBondContact O-N 3.5Å; A228-I874 HydrophobicContact CB-CD1 4.43Å; A228-I874 HydrophobicContact CB-CG1 4.03Å; A228-L877 HydrophobicContact CB-CD1 4.5Å
229	K	88.7	Confident	86.3	Confident	86 Å²	86	82.9 Å²	82.9	37%	0.374	39%	0.385	S	S	.	.	H	α-helix	trans	-59.4	-49.2	174.7	-73.4	-177	175.9	-170.9	0	111.8	L225 E226 R231 N232 E233 I874 E878	L225-K229 HydrophobicContact CD1-CD 4.49Å; L225-K229 HydrophobicContact CD1-CG 4.35Å; L225-K229 HydrophobicContact CG-CD 4.42Å; L225-K229 WeakPolarHBondContact O-CG 3.3Å; L225-K229 PolarHBondContact O-N 2.95Å; E226-K229 PolarHBondContact O-N 3.21Å; K229-R231 VanDerWaalsContact C-N 3.26Å; K229-R231 PolarHBondContact O-N 3.21Å; K229-N232 PolarHBondContact O-N 3.05Å; K229-N232 VanDerWaalsContact O-N 3.09Å; K229-E233 WeakPolarHBondContact O-CB 3.46Å; K229-E233 PolarHBondContact O-N 3.04Å; K229-I874 HydrophobicContact CG-CD1 4.28Å; K229-I874 HydrophobicContact CG-CG2 4.12Å; K229-E878 WeakPolarHBondContact CE-OE1 3.45Å; K229-E878 IonicContact NZ-OE1 3.19Å; K229-E878 PolarHBondContact NZ-OE1 3.49Å
230	Q	87	Confident	85.7	Confident	106 Å²	106	79.8 Å²	79.8	50%	0.495	38%	0.376	S	S	.	.	H	α-helix	trans	-61.9	-31.1	177.7	-69.9	177.5	16.1	0	0	113.3	E226 R234	E226-Q230 WeakPolarHBondContact O-CB 3.39Å; E226-Q230 VanDerWaalsContact O-CG 3.31Å; E226-Q230 WeakPolarHBondContact O-CG 3.45Å; E226-Q230 PolarHBondContact O-N 2.93Å; E226-Q230 PolarHBondContact OE1-NE2 3.32Å; Q230-R234 WeakPolarHBondContact O-CG 3.42Å
231	R	83	Confident	85.2	Confident	177 Å²	177	78.8 Å²	78.8	67%	0.668	37%	0.366	S	S	*	.	H	α-helix	trans	-72.2	-42.5	171.1	-77.5	175	172.4	-173.7	-3	112	K227 A228 K229 R234 N235	K227-R231 WeakPolarHBondContact O-CB 3.49Å; K227-R231 WeakPolarHBondContact O-CG 3.47Å; K227-R231 PolarHBondContact O-N 3.47Å; A228-R231 PolarHBondContact O-N 3.36Å; K229-R231 VanDerWaalsContact C-N 3.26Å; K229-R231 PolarHBondContact O-N 3.21Å; R231-R234 WeakPolarHBondContact O-CB 3.45Å; R231-R234 PolarHBondContact O-N 3.49Å; R231-N235 PolarHBondContact O-N 2.99Å; R231-N235 PolarHBondContact O-OD1 3.15Å
232	N	87	Confident	84.7	Confident	8 Å²	8	77.9 Å²	77.9	4%	0.043	36%	0.361	C	S	.	.	H	α-helix	trans	-70.5	-33.4	-178.6	-148.7	41.9	0	0	0	112.6	A228 K229 R234 N235 K236 Y867 R870 I874	A228-N232 PolarHBondContact O-N 3.5Å; K229-N232 PolarHBondContact O-N 3.05Å; K229-N232 VanDerWaalsContact O-N 3.09Å; N232-R234 PolarHBondContact O-N 3.42Å; N232-N235 PolarHBondContact O-N 3.43Å; N232-K236 PolarHBondContact O-N 2.87Å; N232-Y867 VanDerWaalsContact ND2-CE2 3.3Å; N232-Y867 WeakPolarHBondContact ND2-CE2 3.44Å; N232-Y867 VanDerWaalsContact OD1-CD2 3.31Å; N232-Y867 WeakPolarHBondContact OD1-CD2 3.4Å; N232-R870 WeakPolarHBondContact OD1-CB 3.32Å; N232-I874 HydrophobicContact CB-CD1 3.69Å
233	E	83.1	Confident	84	Confident	107 Å²	107	81.1 Å²	81.1	50%	0.5	37%	0.366	S	S	.	.	H	α-helix	trans	-67.1	-22.9	174.4	-164.4	65.9	-166	0	0	112.5	K229 K236	K229-E233 WeakPolarHBondContact O-CB 3.46Å; K229-E233 PolarHBondContact O-N 3.04Å; E233-K236 VanDerWaalsContact CD-CD 3.41Å; E233-K236 WeakPolarHBondContact O-CB 3.1Å; E233-K236 WeakPolarHBondContact OE1-CD 3.38Å; E233-K236 IonicContact OE1-NZ 3.89Å; E233-K236 PolarHBondContact OE1-NZ 2.83Å; E233-K236 WeakPolarHBondContact OE2-CD 3.36Å; E233-K236 IonicContact OE2-NZ 2.8Å; E233-K236 PolarHBondContact OE2-NZ 3.26Å
234	R	81.4	Confident	83.3	Confident	184 Å²	184	82.8 Å²	82.8	69%	0.694	37%	0.368	S	S	*	.	H	α-helix	trans	-73	-51.2	167.2	-66.5	176.2	-173.2	-160.2	-0.2	111.3	Q230 R231 N232 K236 I237	Q230-R234 WeakPolarHBondContact O-CG 3.42Å; R231-R234 WeakPolarHBondContact O-CB 3.45Å; R231-R234 PolarHBondContact O-N 3.49Å; N232-R234 PolarHBondContact O-N 3.42Å; R234-K236 PolarHBondContact O-N 2.69Å; R234-K236 VanDerWaalsContact O-N 3.14Å; R234-I237 WeakPolarHBondContact O-CB 3.47Å; R234-I237 PolarHBondContact O-N 3.35Å
235	N	79.4	Confident	82.7	Confident	30 Å²	30	79.4 Å²	79.4	16%	0.16	35%	0.353	C	S	.	.	H	α-helix	trans	-54.7	-32.5	175.8	-81.8	58.1	0	0	0	112.4	R231 N232 I237 D238 V239 Y867 R870	R231-N235 PolarHBondContact O-N 2.99Å; R231-N235 PolarHBondContact O-OD1 3.15Å; N232-N235 PolarHBondContact O-N 3.43Å; N235-I237 PolarHBondContact O-N 3.31Å; N235-D238 PolarHBondContact O-N 2.9Å; N235-D238 VanDerWaalsContact O-N 3.07Å; N235-V239 WeakPolarHBondContact O-CG2 3.1Å; N235-V239 PolarHBondContact O-N 3.38Å; N235-Y867 HydrophobicContact CB-CD2 4.19Å; N235-R870 PolarHBondContact ND2-NH1 2.76Å; N235-R870 PolarHBondContact OD1-NH1 3.35Å
236	K	80.9	Confident	81.7	Confident	69 Å²	69	82.9 Å²	82.9	30%	0.3	37%	0.368	S	S	.	.	H	α-helix	trans	-56.3	-30.1	174.6	-167.7	-177.5	-178.2	-178.7	0	113.7	N232 E233 R234 N240 Y867	N232-K236 PolarHBondContact O-N 2.87Å; E233-K236 VanDerWaalsContact CD-CD 3.41Å; E233-K236 WeakPolarHBondContact O-CB 3.1Å; E233-K236 WeakPolarHBondContact OE1-CD 3.38Å; E233-K236 IonicContact OE1-NZ 3.89Å; E233-K236 PolarHBondContact OE1-NZ 2.83Å; E233-K236 WeakPolarHBondContact OE2-CD 3.36Å; E233-K236 IonicContact OE2-NZ 2.8Å; E233-K236 PolarHBondContact OE2-NZ 3.26Å; R234-K236 PolarHBondContact O-N 2.69Å; R234-K236 VanDerWaalsContact O-N 3.14Å; K236-N240 WeakPolarHBondContact O-CB 3.49Å; K236-N240 PolarHBondContact O-N 2.76Å; K236-N240 PolarHBondContact O-OD1 3.05Å; K236-Y867 HydrophobicContact CB-CE2 3.87Å; K236-Y867 HydrophobicContact CG-CE2 4.28Å
237	I	81.1	Confident	81	Confident	93 Å²	93	85.8 Å²	85.8	48%	0.477	37%	0.374	S	S	.	.	H	α-helix	trans	-68.1	-43.3	175.7	-57.7	174.4	0	0	0	109.9	R234 N235 N240 R241	R234-I237 WeakPolarHBondContact O-CB 3.47Å; R234-I237 PolarHBondContact O-N 3.35Å; N235-I237 PolarHBondContact O-N 3.31Å; I237-N240 WeakPolarHBondContact O-CB 3.43Å; I237-N240 PolarHBondContact O-N 2.66Å; I237-R241 WeakPolarHBondContact O-CG 3.18Å; I237-R241 PolarHBondContact O-N 3.36Å
238	D	77.8	Confident	80.3	Confident	56 Å²	56	82.4 Å²	82.4	30%	0.299	36%	0.36	S	S	.	.	H	α-helix	trans	-76.2	-28.7	179	-59.2	-47.7	0	0	0	112.4	N235 R241 Y242 L859 V863	N235-D238 PolarHBondContact O-N 2.9Å; N235-D238 VanDerWaalsContact O-N 3.07Å; D238-R241 PolarHBondContact O-N 2.99Å; D238-R241 IonicContact OD1-CZ 3.15Å; D238-R241 IonicContact OD1-NH1 2.78Å; D238-R241 PolarHBondContact OD1-NH1 2.91Å; D238-Y242 WeakPolarHBondContact O-CB 3.35Å; D238-Y242 PolarHBondContact O-N 2.78Å; D238-L859 HydrophobicContact CB-CD2 4.28Å; D238-V863 HydrophobicContact CB-CG1 4.35Å
239	V	78.1	Confident	79.5	Confident	5 Å²	5	85.5 Å²	85.5	3%	0.03	37%	0.373	C	S	.	.	H	α-helix	trans	-66.5	-41.3	166.6	169.9	0	0	0	0	111.4	N235 Y242 Y243 V863 V864 Y867	N235-V239 WeakPolarHBondContact O-CG2 3.1Å; N235-V239 PolarHBondContact O-N 3.38Å; V239-Y242 WeakPolarHBondContact O-CB 3.26Å; V239-Y242 PolarHBondContact O-N 3.05Å; V239-Y243 HydrophobicContact CG1-CD2 3.71Å; V239-Y243 HydrophobicContact CG1-CE2 3.45Å; V239-Y243 VanDerWaalsContact CG1-CE2 3.45Å; V239-Y243 WeakPolarHBondContact O-CD2 3.44Å; V239-Y243 PolarHBondContact O-N 3.01Å; V239-V863 HydrophobicContact CG2-CG1 4.1Å; V239-V864 HydrophobicContact CG1-CG2 4.49Å; V239-Y867 HydrophobicContact CG2-CD1 4.42Å; V239-Y867 HydrophobicContact CG2-CD2 4.14Å; V239-Y867 HydrophobicContact CG2-CG 3.82Å
240	N	80.2	Confident	78.4	Confident	86 Å²	86	84.8 Å²	84.8	46%	0.46	37%	0.373	S	S	.	.	H	α-helix	trans	-62	-44.1	172.9	-77.2	-6	0	0	0	111.1	K236 I237 Y242 Y243 E244	K236-N240 WeakPolarHBondContact O-CB 3.49Å; K236-N240 PolarHBondContact O-N 2.76Å; K236-N240 PolarHBondContact O-OD1 3.05Å; I237-N240 WeakPolarHBondContact O-CB 3.43Å; I237-N240 PolarHBondContact O-N 2.66Å; N240-Y242 VanDerWaalsContact C-N 3.33Å; N240-Y242 PolarHBondContact O-N 2.83Å; N240-Y243 CarbonylContact O-C 3.58Å; N240-Y243 WeakPolarHBondContact O-CA 3.41Å; N240-Y243 PolarHBondContact O-N 3.01Å; N240-Y243 VanDerWaalsContact O-N 3.07Å; N240-E244 WeakPolarHBondContact O-CG 3.45Å; N240-E244 PolarHBondContact O-N 3.4Å
241	R	79.8	Confident	77.6	Confident	116 Å²	116	82.6 Å²	82.6	44%	0.438	37%	0.367	S	S	.	.	H	α-helix	trans	-61.6	-37.5	173.5	-70.6	165	170	166.8	-7.9	112.8	I237 D238 E244 K245 L859	I237-R241 WeakPolarHBondContact O-CG 3.18Å; I237-R241 PolarHBondContact O-N 3.36Å; D238-R241 PolarHBondContact O-N 2.99Å; D238-R241 IonicContact OD1-CZ 3.15Å; D238-R241 IonicContact OD1-NH1 2.78Å; D238-R241 PolarHBondContact OD1-NH1 2.91Å; R241-E244 PolarHBondContact O-N 3.44Å; R241-K245 WeakPolarHBondContact O-CB 3.35Å; R241-K245 PolarHBondContact O-N 2.64Å; R241-L859 HydrophobicContact CB-CD1 3.74Å
242	Y	79.1	Confident	77	Confident	39 Å²	39	74.6 Å²	74.6	15%	0.153	34%	0.337	C	S	.	.	H	α-helix	trans	-63.1	-41.7	171.5	171.8	-83.5	0	0	0	111	D238 V239 N240 K245 K246 E861 V864	D238-Y242 WeakPolarHBondContact O-CB 3.35Å; D238-Y242 PolarHBondContact O-N 2.78Å; V239-Y242 WeakPolarHBondContact O-CB 3.26Å; V239-Y242 PolarHBondContact O-N 3.05Å; N240-Y242 VanDerWaalsContact C-N 3.33Å; N240-Y242 PolarHBondContact O-N 2.83Å; Y242-K245 PolarHBondContact O-N 3.35Å; Y242-K246 HydrophobicContact CE1-CD 4.45Å; Y242-K246 VanDerWaalsContact O-CB 3.32Å; Y242-K246 WeakPolarHBondContact O-CB 3.12Å; Y242-K246 PolarHBondContact O-N 3.08Å; Y242-E861 HydrophobicContact CE2-CB 4.36Å; Y242-V864 HydrophobicContact CD1-CG2 3.42Å; Y242-V864 VanDerWaalsContact CD1-CG2 3.42Å; Y242-V864 HydrophobicContact CD2-CG2 4.39Å; Y242-V864 HydrophobicContact CE1-CG2 3.65Å; Y242-V864 HydrophobicContact CG-CG2 3.85Å
243	Y	76.3	Confident	76	Confident	107 Å²	107	78.3 Å²	78.3	42%	0.42	35%	0.354	S	S	.	.	H	α-helix	trans	-70.5	-28.1	174.6	-75.3	-59.4	0	0	0	113.6	V239 N240 K246 R247	V239-Y243 HydrophobicContact CG1-CD2 3.71Å; V239-Y243 HydrophobicContact CG1-CE2 3.45Å; V239-Y243 VanDerWaalsContact CG1-CE2 3.45Å; V239-Y243 WeakPolarHBondContact O-CD2 3.44Å; V239-Y243 PolarHBondContact O-N 3.01Å; N240-Y243 CarbonylContact O-C 3.58Å; N240-Y243 WeakPolarHBondContact O-CA 3.41Å; N240-Y243 PolarHBondContact O-N 3.01Å; N240-Y243 VanDerWaalsContact O-N 3.07Å; Y243-K246 HydrophobicContact CD1-CD 4.47Å; Y243-K246 PolarHBondContact O-N 2.9Å; Y243-R247 WeakPolarHBondContact O-CG 3.49Å; Y243-R247 PolarHBondContact O-N 2.79Å
244	E	75.9	Confident	75	Confident	87 Å²	87	75.6 Å²	75.6	41%	0.407	34%	0.343	S	S	.	.	H	α-helix	trans	-70.7	-47.4	170.9	-72.8	169.3	158.8	0	0	111	N240 R241 K246 R247 H248	N240-E244 WeakPolarHBondContact O-CG 3.45Å; N240-E244 PolarHBondContact O-N 3.4Å; R241-E244 PolarHBondContact O-N 3.44Å; E244-K246 PolarHBondContact O-N 3Å; E244-R247 WeakPolarHBondContact O-CB 3.44Å; E244-R247 PolarHBondContact O-N 3.39Å; E244-H248 PolarHBondContact O-CD2 2.97Å; E244-H248 PolarHBondContact O-N 2.89Å
245	K	76.4	Confident	74.2	Confident	47 Å²	47	66.9 Å²	66.9	20%	0.204	31%	0.31	C	S	.	.	H	α-helix	trans	-55.2	-40.5	168.8	-173.1	179.1	-170.8	167.4	0	111.3	R241 Y242 H248 L249 A853 F856	R241-K245 WeakPolarHBondContact O-CB 3.35Å; R241-K245 PolarHBondContact O-N 2.64Å; Y242-K245 PolarHBondContact O-N 3.35Å; K245-H248 PolarHBondContact O-N 2.9Å; K245-L249 HydrophobicContact CG-CD1 4.45Å; K245-L249 WeakPolarHBondContact O-CG 3.29Å; K245-L249 PolarHBondContact O-N 3.28Å; K245-A853 WeakPolarHBondContact CE-O 3.47Å; K245-F856 HydrophobicContact CB-CB 4.2Å; K245-F856 HydrophobicContact CB-CD2 4.46Å; K245-F856 HydrophobicContact CB-CG 4.28Å; K245-F856 HydrophobicContact CD-CB 3.76Å; K245-F856 HydrophobicContact CG-CB 4.06Å; K245-F856 PolarHBondContact NZ-O 3.43Å
246	K	72.6	Confident	73.4	Confident	88 Å²	88	69.5 Å²	69.5	38%	0.383	32%	0.321	S	S	.	.	H	α-helix	trans	-64.1	-42	174.6	-171.4	167.5	-178.9	166.5	0	112	Y242 Y243 E244 H248 L249 D250	Y242-K246 HydrophobicContact CE1-CD 4.45Å; Y242-K246 VanDerWaalsContact O-CB 3.32Å; Y242-K246 WeakPolarHBondContact O-CB 3.12Å; Y242-K246 PolarHBondContact O-N 3.08Å; Y243-K246 HydrophobicContact CD1-CD 4.47Å; Y243-K246 PolarHBondContact O-N 2.9Å; E244-K246 PolarHBondContact O-N 3Å; K246-H248 VanDerWaalsContact C-N 3.32Å; K246-H248 PolarHBondContact O-N 2.99Å; K246-L249 CarbonylContact O-C 3.37Å; K246-L249 WeakPolarHBondContact O-CA 3.35Å; K246-L249 WeakPolarHBondContact O-CB 3.47Å; K246-L249 PolarHBondContact O-N 2.93Å; K246-D250 PolarHBondContact O-N 3.33Å
247	R	74.4	Confident	72.4	Confident	167 Å²	167	68 Å²	68	63%	0.63	32%	0.315	S	S	*	.	H	α-helix	trans	-59.2	-40.4	172.8	-73.3	166.6	-179.7	170.6	-0.4	112.6	Y243 E244 L249 D250 V251	Y243-R247 WeakPolarHBondContact O-CG 3.49Å; Y243-R247 PolarHBondContact O-N 2.79Å; E244-R247 WeakPolarHBondContact O-CB 3.44Å; E244-R247 PolarHBondContact O-N 3.39Å; R247-L249 VanDerWaalsContact C-N 3.33Å; R247-D250 PolarHBondContact O-N 3.1Å; R247-V251 WeakPolarHBondContact O-CB 3.33Å; R247-V251 WeakPolarHBondContact O-CG2 3.34Å; R247-V251 PolarHBondContact O-N 3.28Å
248	H	76.8	Confident	71.4	Confident	48 Å²	48	64 Å²	64	22%	0.222	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-40.3	173	-69.3	-71.3	0	0	0	111.4	E244 K245 K246 V251 I252 E849 A853 F856	E244-H248 PolarHBondContact O-CD2 2.97Å; E244-H248 PolarHBondContact O-N 2.89Å; K245-H248 PolarHBondContact O-N 2.9Å; K246-H248 VanDerWaalsContact C-N 3.32Å; K246-H248 PolarHBondContact O-N 2.99Å; H248-V251 PolarHBondContact O-N 2.85Å; H248-I252 WeakPolarHBondContact O-CD1 3.48Å; H248-I252 VanDerWaalsContact O-CG1 3.3Å; H248-I252 WeakPolarHBondContact O-CG1 3.31Å; H248-I252 PolarHBondContact O-N 3.04Å; H248-E849 IonicContact CE1-OE2 2.89Å; H248-E849 IonicContact CG-OE2 2.74Å; H248-E849 IonicContact ND1-OE2 2.71Å; H248-E849 PolarHBondContact ND1-OE2 2.59Å; H248-A853 HydrophobicContact CB-CB 4.21Å; H248-F856 AromaticContact CD2-CE2 3.95Å
249	L	71.3	Confident	70.8	Confident	89 Å²	89	63.8 Å²	63.8	47%	0.466	29%	0.29	S	S	.	.	H	α-helix	trans	-66.4	-35.8	172.5	-66.4	167.5	0	0	0	113.1	K245 K246 R247 V251 I252 E253	K245-L249 HydrophobicContact CG-CD1 4.45Å; K245-L249 WeakPolarHBondContact O-CG 3.29Å; K245-L249 PolarHBondContact O-N 3.28Å; K246-L249 CarbonylContact O-C 3.37Å; K246-L249 WeakPolarHBondContact O-CA 3.35Å; K246-L249 WeakPolarHBondContact O-CB 3.47Å; K246-L249 PolarHBondContact O-N 2.93Å; R247-L249 VanDerWaalsContact C-N 3.33Å; L249-V251 VanDerWaalsContact C-N 3.33Å; L249-I252 HydrophobicContact CD2-CD1 4.32Å; L249-I252 PolarHBondContact O-N 3.44Å; L249-E253 WeakPolarHBondContact O-CB 3.43Å; L249-E253 PolarHBondContact O-N 3.34Å
250	D	65.5	Low	69.7	Low	71 Å²	71	63.9 Å²	63.9	38%	0.38	29%	0.291	S	S	.	.	H	α-helix	trans	-69.8	-31.2	175.5	-58.2	-34.5	0	0	0	111	K246 R247 E253 L254	K246-D250 PolarHBondContact O-N 3.33Å; R247-D250 PolarHBondContact O-N 3.1Å; D250-E253 WeakPolarHBondContact O-CB 3.48Å; D250-L254 PolarHBondContact O-N 3.3Å
251	V	70.1	Confident	68.6	Low	60 Å²	60	63 Å²	63	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-73.9	-38.5	171.5	167.4	0	0	0	0	111.6	R247 H248 L249 E253 L254 L255 E849	R247-V251 WeakPolarHBondContact O-CB 3.33Å; R247-V251 WeakPolarHBondContact O-CG2 3.34Å; R247-V251 PolarHBondContact O-N 3.28Å; H248-V251 PolarHBondContact O-N 2.85Å; L249-V251 VanDerWaalsContact C-N 3.33Å; V251-E253 VanDerWaalsContact C-N 3.33Å; V251-L254 CarbonylContact O-C 3.58Å; V251-L254 WeakPolarHBondContact O-CA 3.36Å; V251-L254 WeakPolarHBondContact O-CB 2.99Å; V251-L254 PolarHBondContact O-N 3.5Å; V251-L255 PolarHBondContact O-N 3.38Å; V251-E849 HydrophobicContact CG1-CG 4.24Å
252	I	69.8	Low	67.7	Low	10 Å²	10	59.2 Å²	59.2	5%	0.051	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-43.9	168.9	-69.8	160	0	0	0	109.7	H248 L249 L254 L255 E256 L846 E849 R850 A853	H248-I252 WeakPolarHBondContact O-CD1 3.48Å; H248-I252 VanDerWaalsContact O-CG1 3.3Å; H248-I252 WeakPolarHBondContact O-CG1 3.31Å; H248-I252 PolarHBondContact O-N 3.04Å; L249-I252 HydrophobicContact CD2-CD1 4.32Å; L249-I252 PolarHBondContact O-N 3.44Å; I252-L254 PolarHBondContact O-N 3.28Å; I252-L255 PolarHBondContact O-N 2.92Å; I252-L255 VanDerWaalsContact O-N 3.15Å; I252-E256 HydrophobicContact CG2-CG 4.34Å; I252-E256 WeakPolarHBondContact CG2-OE1 3.27Å; I252-E256 WeakPolarHBondContact O-CB 3.23Å; I252-E256 WeakPolarHBondContact O-CG 3.03Å; I252-E256 PolarHBondContact O-N 3.44Å; I252-L846 HydrophobicContact CG2-CD2 4.08Å; I252-E849 HydrophobicContact CD1-CB 4.47Å; I252-E849 HydrophobicContact CG1-CB 4.06Å; I252-R850 HydrophobicContact CD1-CG 3.76Å; I252-R850 HydrophobicContact CG1-CG 4.35Å; I252-A853 HydrophobicContact CD1-CB 4.35Å
253	E	64.9	Low	66.5	Low	86 Å²	86	60.2 Å²	60.2	40%	0.402	28%	0.277	S	S	.	.	H	α-helix	trans	-59.3	-33.3	172.3	-153.3	-151.2	158.4	0	0	111	L249 D250 V251 K257	L249-E253 WeakPolarHBondContact O-CB 3.43Å; L249-E253 PolarHBondContact O-N 3.34Å; D250-E253 WeakPolarHBondContact O-CB 3.48Å; V251-E253 VanDerWaalsContact C-N 3.33Å; E253-K257 VanDerWaalsContact O-CB 3.27Å; E253-K257 WeakPolarHBondContact O-CB 3.4Å; E253-K257 VanDerWaalsContact O-CD 3.23Å; E253-K257 WeakPolarHBondContact O-CD 3.34Å; E253-K257 WeakPolarHBondContact O-CG 3.27Å; E253-K257 PolarHBondContact O-N 2.91Å; E253-K257 WeakPolarHBondContact OE1-CE 3.49Å; E253-K257 IonicContact OE1-NZ 3.15Å; E253-K257 PolarHBondContact OE1-NZ 2.93Å; E253-K257 IonicContact OE2-NZ 2.76Å; E253-K257 PolarHBondContact OE2-NZ 3Å
254	L	63.7	Low	65.6	Low	50 Å²	50	57.8 Å²	57.8	26%	0.262	27%	0.268	S	S	.	.	H	α-helix	trans	-71.9	-36.4	175.7	-163.9	68.2	0	0	0	113.5	D250 V251 I252 K257 K258 F832	D250-L254 PolarHBondContact O-N 3.3Å; V251-L254 CarbonylContact O-C 3.58Å; V251-L254 WeakPolarHBondContact O-CA 3.36Å; V251-L254 WeakPolarHBondContact O-CB 2.99Å; V251-L254 PolarHBondContact O-N 3.5Å; I252-L254 PolarHBondContact O-N 3.28Å; L254-K257 HydrophobicContact CD1-CD 4.31Å; L254-K257 WeakPolarHBondContact O-CB 3.2Å; L254-K257 PolarHBondContact O-N 2.86Å; L254-K258 PolarHBondContact O-N 3.23Å; L254-F832 HydrophobicContact CD1-CE1 3.84Å; L254-F832 HydrophobicContact CG-CE1 4.12Å
255	L	63.6	Low	64.6	Low	1 Å²	1	61.1 Å²	61.1	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-69.7	-43.6	172.3	-72.4	165.1	0	0	0	111.1	V251 I252 K257 K258 K259 L835 L846	V251-L255 PolarHBondContact O-N 3.38Å; I252-L255 PolarHBondContact O-N 2.92Å; I252-L255 VanDerWaalsContact O-N 3.15Å; L255-K257 PolarHBondContact O-N 3.24Å; L255-K258 PolarHBondContact O-N 2.79Å; L255-K259 PolarHBondContact O-N 3.15Å; L255-L835 HydrophobicContact CD2-CD1 4.26Å; L255-L835 HydrophobicContact CD2-CD2 4.12Å; L255-L846 HydrophobicContact CB-CD1 4.05Å; L255-L846 HydrophobicContact CB-CG 4.01Å; L255-L846 HydrophobicContact CD1-CB 4.27Å; L255-L846 HydrophobicContact CD1-CG 4.25Å
256	E	63.8	Low	63.6	Low	85 Å²	85	63.3 Å²	63.3	40%	0.397	30%	0.301	S	S	.	.	H	α-helix	trans	-64.6	-26.4	172	-68.1	176.7	177.8	0	0	111.7	I252 P260 L846 R850	I252-E256 HydrophobicContact CG2-CG 4.34Å; I252-E256 WeakPolarHBondContact CG2-OE1 3.27Å; I252-E256 WeakPolarHBondContact O-CB 3.23Å; I252-E256 WeakPolarHBondContact O-CG 3.03Å; I252-E256 PolarHBondContact O-N 3.44Å; E256-P260 WeakPolarHBondContact O-CD 3.4Å; E256-L846 HydrophobicContact CG-CD1 4.07Å; E256-R850 IonicContact OE1-CZ 3.24Å; E256-R850 IonicContact OE1-NH2 2.81Å; E256-R850 PolarHBondContact OE1-NH2 3.46Å
257	K	60	Low	62.6	Low	36 Å²	36	59.9 Å²	59.9	16%	0.157	29%	0.289	C	S	.	.	H	α-helix	trans	-70.6	-35.6	167.9	-77.6	159.8	-173.7	157.1	0	113	E253 L254 L255 N815 F832	E253-K257 VanDerWaalsContact O-CB 3.27Å; E253-K257 WeakPolarHBondContact O-CB 3.4Å; E253-K257 VanDerWaalsContact O-CD 3.23Å; E253-K257 WeakPolarHBondContact O-CD 3.34Å; E253-K257 WeakPolarHBondContact O-CG 3.27Å; E253-K257 PolarHBondContact O-N 2.91Å; E253-K257 WeakPolarHBondContact OE1-CE 3.49Å; E253-K257 IonicContact OE1-NZ 3.15Å; E253-K257 PolarHBondContact OE1-NZ 2.93Å; E253-K257 IonicContact OE2-NZ 2.76Å; E253-K257 PolarHBondContact OE2-NZ 3Å; L254-K257 HydrophobicContact CD1-CD 4.31Å; L254-K257 WeakPolarHBondContact O-CB 3.2Å; L254-K257 PolarHBondContact O-N 2.86Å; L255-K257 PolarHBondContact O-N 3.24Å; K257-N815 HydrophobicContact CB-CB 3.76Å; K257-N815 WeakPolarHBondContact CD-O 3.42Å; K257-N815 HydrophobicContact CG-CB 3.7Å; K257-N815 WeakPolarHBondContact CG-O 3.33Å; K257-N815 WeakPolarHBondContact O-CB 3.34Å; K257-N815 PolarHBondContact O-ND2 3.13Å; K257-F832 HydrophobicContact CB-CZ 4.23Å
258	K	60.2	Low	61.5	Low	10 Å²	10	60.2 Å²	60.2	4%	0.043	29%	0.29	C	S	.	.	H	α-helix	trans	-74.8	-41.1	176.3	-170.2	172.6	-177.8	179.8	0	112.5	L254 L255 P260 W261 F832 L835 P836 D837	L254-K258 PolarHBondContact O-N 3.23Å; L255-K258 PolarHBondContact O-N 2.79Å; K258-P260 VanDerWaalsContact O-N 3.16Å; K258-W261 WeakPolarHBondContact O-CB 3.49Å; K258-W261 PolarHBondContact O-N 2.81Å; K258-F832 HydrophobicContact CB-CD2 4.42Å; K258-F832 HydrophobicContact CB-CE1 4.31Å; K258-F832 HydrophobicContact CB-CE2 4.04Å; K258-F832 HydrophobicContact CB-CZ 3.98Å; K258-F832 HydrophobicContact CD-CD2 4.48Å; K258-F832 HydrophobicContact CD-CG 4.39Å; K258-F832 HydrophobicContact CG-CD2 4.15Å; K258-F832 HydrophobicContact CG-CE2 4.19Å; K258-F832 HydrophobicContact CG-CG 4.5Å; K258-F832 PolarHBondContact NZ-O 3.34Å; K258-L835 HydrophobicContact CD-CB 3.95Å; K258-L835 HydrophobicContact CD-CD1 4.4Å; K258-L835 PolarHBondContact NZ-O 3.34Å; K258-P836 WeakPolarHBondContact CE-O 3.37Å; K258-P836 PolarHBondContact NZ-O 3.35Å; K258-D837 WeakPolarHBondContact CE-OD1 3.49Å; K258-D837 IonicContact NZ-OD1 3.47Å; K258-D837 PolarHBondContact NZ-OD1 2.85Å
259	K	65	Low	60.4	Low	51 Å²	51	67 Å²	67	22%	0.222	32%	0.319	C	S	.	.	H	α-helix	trans	-44.6	-47	-175.4	-170.4	164.3	-169.7	162.6	0	115.7	L255 W261 V262 E263 D843	L255-K259 PolarHBondContact O-N 3.15Å; K259-W261 VanDerWaalsContact C-N 3.26Å; K259-W261 PolarHBondContact O-N 3.33Å; K259-V262 WeakPolarHBondContact O-CB 3.34Å; K259-V262 PolarHBondContact O-N 2.91Å; K259-E263 PolarHBondContact O-N 3.35Å; K259-D843 IonicContact NZ-OD1 2.68Å; K259-D843 PolarHBondContact NZ-OD1 2.97Å; K259-D843 IonicContact NZ-OD2 2.77Å; K259-D843 PolarHBondContact NZ-OD2 3.27Å
260	P	53.4	Low	59.6	Low	8 Å²	8	67.8 Å²	67.8	5%	0.052	32%	0.32	C	S	.	.	H	α-helix	trans	-72.1	-4.8	178.7	25.2	-32.2	0	0	0	116.3	E256 K258 V262 Y264 L808 R811 N815	E256-P260 WeakPolarHBondContact O-CD 3.4Å; K258-P260 VanDerWaalsContact O-N 3.16Å; P260-V262 VanDerWaalsContact C-N 3.25Å; P260-Y264 PolarHBondContact O-N 3.07Å; P260-L808 HydrophobicContact CB-CD2 4.44Å; P260-R811 HydrophobicContact CB-CB 4.14Å; P260-R811 HydrophobicContact CG-CB 4.44Å; P260-N815 WeakPolarHBondContact CG-ND2 3.38Å
261	W	58.5	Low	58.9	Low	67 Å²	67	65.6 Å²	65.6	25%	0.254	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-34.4	161.7	-80.3	100.3	0	0	0	111	K258 K259 L809 A812 K813 L824 F832	K258-W261 WeakPolarHBondContact O-CB 3.49Å; K258-W261 PolarHBondContact O-N 2.81Å; K259-W261 VanDerWaalsContact C-N 3.26Å; K259-W261 PolarHBondContact O-N 3.33Å; W261-L809 HydrophobicContact CE3-CD1 4.41Å; W261-L809 HydrophobicContact CH2-CD1 4.07Å; W261-L809 HydrophobicContact CZ3-CD1 3.54Å; W261-A812 HydrophobicContact CB-CB 4.1Å; W261-A812 VanDerWaalsContact CD1-CB 3.48Å; W261-A812 HydrophobicContact CD2-CB 3.33Å; W261-A812 HydrophobicContact CE3-CB 3.98Å; W261-A812 HydrophobicContact CG-CB 3.4Å; W261-A812 VanDerWaalsContact CG-CB 3.4Å; W261-A812 HydrophobicContact CH2-CB 4.49Å; W261-A812 HydrophobicContact CZ2-CB 3.9Å; W261-A812 PolarHBondContact NE1-O 3.25Å; W261-K813 HydrophobicContact CH2-CG 3.64Å; W261-K813 HydrophobicContact CZ2-CB 4.48Å; W261-K813 HydrophobicContact CZ2-CG 3.77Å; W261-L824 HydrophobicContact CH2-CD1 4.18Å; W261-L824 HydrophobicContact CZ2-CD1 3.53Å; W261-F832 AromaticContact CD1-CE2 3.62Å; W261-F832 AromaticContact NE1-CE2 3.57Å
262	V	59.5	Low	58.1	Low	36 Å²	36	68.9 Å²	68.9	22%	0.218	32%	0.32	C	S	.	.	H	α-helix	trans	-82.8	-37.7	-179.2	-166.9	0	0	0	0	111.1	K259 P260 Y264 L839	K259-V262 WeakPolarHBondContact O-CB 3.34Å; K259-V262 PolarHBondContact O-N 2.91Å; P260-V262 VanDerWaalsContact C-N 3.25Å; V262-Y264 PolarHBondContact O-N 3.19Å; V262-L839 HydrophobicContact CB-CG 4.39Å; V262-L839 HydrophobicContact CG1-CB 4.2Å; V262-L839 HydrophobicContact CG1-CD1 3.95Å; V262-L839 HydrophobicContact CG1-CG 3.87Å
263	E	55.9	Low	57.4	Low	61 Å²	61	71.1 Å²	71.1	29%	0.285	35%	0.345	S	S	.	.	H	α-helix	trans	-58.9	-28.9	173.5	-61.4	177.6	174.1	0	0	113	K259 E265 T266 A267 L808 R811	K259-E263 PolarHBondContact O-N 3.35Å; E263-E265 PolarHBondContact O-N 3.01Å; E263-T266 WeakPolarHBondContact O-CB 3.26Å; E263-T266 PolarHBondContact O-N 3.45Å; E263-T266 PolarHBondContact O-OG1 3.1Å; E263-T266 VanDerWaalsContact O-OG1 3.09Å; E263-A267 PolarHBondContact O-N 3.47Å; E263-L808 HydrophobicContact CB-CD1 4.39Å; E263-L808 HydrophobicContact CB-CD2 3.92Å; E263-L808 WeakPolarHBondContact O-CD1 3.43Å; E263-L808 WeakPolarHBondContact OE2-CD2 3.42Å; E263-R811 IonicContact OE2-NH1 2.63Å; E263-R811 PolarHBondContact OE2-NH1 3.28Å
264	Y	56.3	Low	57	Low	56 Å²	56	68.3 Å²	68.3	22%	0.22	33%	0.334	C	S	.	.	H	α-helix	trans	-58.9	-44.5	-174.9	160.2	-130.4	0	0	0	113.6	P260 V262 T266 C805 L808 L809	P260-Y264 PolarHBondContact O-N 3.07Å; V262-Y264 PolarHBondContact O-N 3.19Å; Y264-T266 PolarHBondContact O-N 3.26Å; Y264-C805 WeakPolarHBondContact CD2-O 3.31Å; Y264-C805 VanDerWaalsContact CE2-C 3.42Å; Y264-C805 HydrophobicContact CE2-CB 4.22Å; Y264-C805 WeakPolarHBondContact CE2-O 3.04Å; Y264-L808 HydrophobicContact CD2-CB 4.29Å; Y264-L808 HydrophobicContact CG-CB 4.35Å; Y264-L809 HydrophobicContact CD1-CB 4.12Å; Y264-L809 HydrophobicContact CD1-CD1 4.08Å; Y264-L809 HydrophobicContact CD2-CB 3.9Å; Y264-L809 HydrophobicContact CE1-CB 4.06Å; Y264-L809 HydrophobicContact CE1-CD1 3.72Å; Y264-L809 HydrophobicContact CE1-CG 4.36Å; Y264-L809 HydrophobicContact CE2-CB 3.86Å; Y264-L809 HydrophobicContact CG-CB 4.04Å
265	E	54.2	Low	56.7	Low	156 Å²	156	69.9 Å²	69.9	73%	0.729	34%	0.338	S	S	*	.	H	α-helix	trans	-69.3	-22.3	-177.1	-55.6	-161.6	126.6	0	0	111.8	E263	E263-E265 PolarHBondContact O-N 3.01Å
266	T	56.1	Low	56.2	Low	94 Å²	94	77.8 Å²	77.8	58%	0.577	38%	0.377	S	S	*	.	H	α-helix	trans	-77.6	-54.3	-179.6	-13.2	0	0	0	0	112.5	E263 Y264 R268 K269	E263-T266 WeakPolarHBondContact O-CB 3.26Å; E263-T266 PolarHBondContact O-N 3.45Å; E263-T266 PolarHBondContact O-OG1 3.1Å; E263-T266 VanDerWaalsContact O-OG1 3.09Å; Y264-T266 PolarHBondContact O-N 3.26Å; T266-R268 PolarHBondContact O-N 3.5Å; T266-R268 VanDerWaalsContact O-N 3.1Å; T266-K269 PolarHBondContact O-N 3.04Å
267	A	51.3	Low	55.9	Low	15 Å²	15	79.3 Å²	79.3	12%	0.124	39%	0.385	C	S	.	.	H	α-helix	trans	-73.2	-4.9	-172.3	0	0	0	0	0	114.3	E263 K269 E270 Q804 L808	E263-A267 PolarHBondContact O-N 3.47Å; A267-K269 PolarHBondContact O-N 3.26Å; A267-K269 VanDerWaalsContact O-N 3.1Å; A267-E270 WeakPolarHBondContact O-CB 3.42Å; A267-E270 PolarHBondContact O-N 3.32Å; A267-Q804 HydrophobicContact CB-CB 4.04Å; A267-L808 HydrophobicContact CB-CD1 3.38Å
268	R	52.2	Low	56	Low	174 Å²	174	79.8 Å²	79.8	66%	0.657	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-21.9	171.3	175.5	169.9	175.6	-166.5	-2.9	113.7	T266 C805	T266-R268 PolarHBondContact O-N 3.5Å; T266-R268 VanDerWaalsContact O-N 3.1Å; R268-C805 WeakPolarHBondContact CA-SG 3.47Å
269	K	52.7	Low	55.9	Low	192 Å²	192	84 Å²	84	84%	0.835	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-21.7	175.4	-67.6	175.1	174.9	172.5	0	114.3	T266 A267 L271	T266-K269 PolarHBondContact O-N 3.04Å; A267-K269 PolarHBondContact O-N 3.26Å; A267-K269 VanDerWaalsContact O-N 3.1Å; K269-L271 PolarHBondContact O-N 3.28Å
270	E	54.1	Low	55.6	Low	105 Å²	105	89.3 Å²	89.3	49%	0.491	43%	0.431	S	S	.	.	S	Bend	trans	-77.1	-11.3	-173.9	-169.5	176.7	-90	0	0	112.6	A267 E272 R797 L801 Q804	A267-E270 WeakPolarHBondContact O-CB 3.42Å; A267-E270 PolarHBondContact O-N 3.32Å; E270-E272 PolarHBondContact O-N 2.73Å; E270-R797 IonicContact OE2-CZ 3.13Å; E270-R797 IonicContact OE2-NH2 3.04Å; E270-R797 PolarHBondContact OE2-NH2 3.16Å; E270-L801 HydrophobicContact CB-CD2 3.82Å; E270-L801 HydrophobicContact CG-CD2 3.7Å; E270-L801 WeakPolarHBondContact O-CD1 3.29Å; E270-L801 WeakPolarHBondContact OE2-CD2 3.2Å; E270-Q804 PolarHBondContact OE2-NE2 3.44Å
271	L	51.4	Low	55.8	Low	25 Å²	25	89.5 Å²	89.5	13%	0.131	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-38.7	-165	154.2	60	0	0	0	117.8	K269 G273 K798 L801 T802	K269-L271 PolarHBondContact O-N 3.28Å; L271-G273 PolarHBondContact O-N 3.36Å; L271-G273 VanDerWaalsContact O-N 3.14Å; L271-K798 VanDerWaalsContact CD1-O 3.29Å; L271-K798 WeakPolarHBondContact CD1-O 3.19Å; L271-L801 HydrophobicContact CB-CB 3.67Å; L271-L801 HydrophobicContact CD1-CB 3.92Å; L271-L801 HydrophobicContact CG-CB 4.36Å; L271-T802 WeakPolarHBondContact CD1-OG1 3.37Å
272	E	53.4	Low	55.9	Low	129 Å²	129	90.9 Å²	90.9	60%	0.603	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-21.9	-160	-143	54.4	-154.3	0	0	113.8	E270 K275	E270-E272 PolarHBondContact O-N 2.73Å; E272-K275 IonicContact OE1-NZ 2.66Å; E272-K275 PolarHBondContact OE1-NZ 2.81Å; E272-K275 IonicContact OE2-NZ 2.66Å; E272-K275 PolarHBondContact OE2-NZ 3.41Å
273	G	55	Low	55.8	Low	57 Å²	57	97.4 Å²	97.4	59%	0.588	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-71.2	-46.2	-175.2	0	0	0	0	0	115.9	L271 K275	L271-G273 PolarHBondContact O-N 3.36Å; L271-G273 VanDerWaalsContact O-N 3.14Å; G273-K275 PolarHBondContact O-N 3Å
274	V	57.3	Low	56.1	Low	27 Å²	27	100.9 Å²	100.9	16%	0.164	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-81.3	16.5	-167.6	-164.6	0	0	0	0	113.3	M276 E277 L794 R797 K798 L801	V274-M276 VanDerWaalsContact C-N 3.29Å; V274-M276 PolarHBondContact O-N 3.41Å; V274-E277 WeakPolarHBondContact CG1-OE2 3.35Å; V274-L794 HydrophobicContact CG1-CD2 4.16Å; V274-R797 HydrophobicContact CB-CB 4.18Å; V274-R797 HydrophobicContact CB-CG 3.79Å; V274-R797 HydrophobicContact CG1-CB 3.61Å; V274-R797 HydrophobicContact CG1-CG 3.56Å; V274-R797 HydrophobicContact CG2-CG 3.79Å; V274-K798 WeakPolarHBondContact O-CB 3.45Å; V274-K798 PolarHBondContact O-N 2.88Å; V274-L801 HydrophobicContact CB-CD1 3.93Å; V274-L801 HydrophobicContact CG2-CD1 3.52Å
275	K	56.7	Low	56.3	Low	82 Å²	82	99.9 Å²	99.9	36%	0.357	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-67.9	-25.7	170.5	-82.2	162.2	175.7	167.6	0	113.1	E272 G273 K798	E272-K275 IonicContact OE1-NZ 2.66Å; E272-K275 PolarHBondContact OE1-NZ 2.81Å; E272-K275 IonicContact OE2-NZ 2.66Å; E272-K275 PolarHBondContact OE2-NZ 3.41Å; G273-K275 PolarHBondContact O-N 3Å; K275-K798 HydrophobicContact CG-CB 4.27Å; K275-K798 HydrophobicContact CG-CD 4.26Å; K275-K798 HydrophobicContact CG-CG 3.8Å
276	M	53.9	Low	56.6	Low	167 Å²	167	96.2 Å²	96.2	82%	0.823	47%	0.472	S	S	*	.	S	Bend	trans	-87.6	-42.6	-171.3	-67.2	178	65	0	0	114.8	V274 R278	V274-M276 VanDerWaalsContact C-N 3.29Å; V274-M276 PolarHBondContact O-N 3.41Å; M276-R278 PolarHBondContact O-N 2.65Å
277	E	56.9	Low	57	Low	118 Å²	118	94.8 Å²	94.8	55%	0.551	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.4	-175.8	-58.8	-177.3	147.7	0	0	114	V274 E279 L794	V274-E277 WeakPolarHBondContact CG1-OE2 3.35Å; E277-E279 PolarHBondContact O-N 3.46Å; E277-L794 HydrophobicContact CB-CB 4.5Å; E277-L794 HydrophobicContact CB-CD1 4.16Å; E277-L794 HydrophobicContact CB-CD2 3.9Å; E277-L794 HydrophobicContact CB-CG 4.39Å; E277-L794 WeakPolarHBondContact O-CD1 3.35Å; E277-L794 VanDerWaalsContact OE2-CD2 3.3Å; E277-L794 WeakPolarHBondContact OE2-CD2 3.47Å
278	R	63	Low	57.6	Low	46 Å²	46	96.9 Å²	96.9	17%	0.174	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-31.8	-172.7	173.4	-88.8	-169.6	138.7	0.2	115.4	M276 L794 E795 K798	M276-R278 PolarHBondContact O-N 2.65Å; R278-L794 HydrophobicContact CB-CB 4.27Å; R278-E795 HydrophobicContact CG-CB 4.11Å; R278-E795 IonicContact CZ-OE1 3.93Å; R278-E795 IonicContact CZ-OE2 3.58Å; R278-E795 IonicContact NE-OE1 3.6Å; R278-E795 PolarHBondContact NE-OE1 3.13Å; R278-E795 IonicContact NE-OE2 3.78Å; R278-E795 PolarHBondContact NE-OE2 3.31Å; R278-E795 IonicContact NH1-OE1 3.99Å; R278-E795 VanDerWaalsContact NH2-CD 3.28Å; R278-E795 IonicContact NH2-OE1 3.06Å; R278-E795 PolarHBondContact NH2-OE1 3.12Å; R278-E795 VanDerWaalsContact NH2-OE1 3.13Å; R278-E795 IonicContact NH2-OE2 2.74Å; R278-E795 PolarHBondContact NH2-OE2 2.94Å; R278-K798 HydrophobicContact CG-CD 4.39Å
279	E	56.8	Low	58.1	Low	97 Å²	97	97.3 Å²	97.3	45%	0.453	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-35	-169.1	-64.9	-58.3	160.9	0	0	114.7	E277 K282	E277-E279 PolarHBondContact O-N 3.46Å; E279-K282 VanDerWaalsContact O-CB 3.24Å; E279-K282 WeakPolarHBondContact O-CB 3.43Å; E279-K282 PolarHBondContact O-N 2.98Å
280	E	58.7	Low	58.5	Low	163 Å²	163	96 Å²	96	76%	0.762	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-45.3	-175	-75.5	-169.2	127.9	0	0	112.7	K282 K283	E280-K282 PolarHBondContact O-N 3.25Å; E280-K283 PolarHBondContact O-N 3.09Å
281	A	58.4	Low	59	Low	13 Å²	13	93.9 Å²	93.9	11%	0.107	48%	0.478	C	S	.	.	H	α-helix	trans	-61.2	-17.4	-179	0	0	0	0	0	113.4	K283 H284 C791 L794	A281-K283 VanDerWaalsContact C-N 3.3Å; A281-K283 PolarHBondContact O-N 3.43Å; A281-H284 PolarHBondContact O-N 3.01Å; A281-C791 HydrophobicContact CB-CB 3.96Å; A281-L794 HydrophobicContact CB-CD1 4.11Å
282	K	60.6	Low	59.6	Low	95 Å²	95	94.8 Å²	94.8	41%	0.413	48%	0.481	S	S	.	.	H	α-helix	trans	-69.5	-24.5	-179.8	-153.3	163.2	-174.3	178.9	0	113.4	E279 E280 C791	E279-K282 VanDerWaalsContact O-CB 3.24Å; E279-K282 WeakPolarHBondContact O-CB 3.43Å; E279-K282 PolarHBondContact O-N 2.98Å; E280-K282 PolarHBondContact O-N 3.25Å; K282-C791 WeakPolarHBondContact CA-SG 3.14Å; K282-C791 VanDerWaalsContact CB-SG 3.52Å; K282-C791 VanDerWaalsContact CG-SG 3.57Å
283	K	58	Low	60.1	Low	173 Å²	173	91.7 Å²	91.7	75%	0.752	48%	0.477	S	S	*	.	H	α-helix	trans	-77.4	-35.6	175.2	-71.5	179.9	178.5	174.2	0	113	E280 A281 L285 S286	E280-K283 PolarHBondContact O-N 3.09Å; A281-K283 VanDerWaalsContact C-N 3.3Å; A281-K283 PolarHBondContact O-N 3.43Å; K283-L285 VanDerWaalsContact C-N 3.31Å; K283-L285 PolarHBondContact O-N 3.26Å; K283-S286 PolarHBondContact O-OG 3.11Å; K283-S286 VanDerWaalsContact O-OG 3.04Å
284	H	61.1	Low	60.9	Low	135 Å²	135	92.9 Å²	92.9	63%	0.625	48%	0.475	S	S	*	.	H	α-helix	trans	-67.4	-31.2	179.4	-89.9	-101.1	0	0	0	113.3	A281 S286 A287 M787	A281-H284 PolarHBondContact O-N 3.01Å; H284-S286 VanDerWaalsContact C-N 3.31Å; H284-S286 PolarHBondContact O-N 3.21Å; H284-A287 PolarHBondContact O-N 3.07Å; H284-M787 HydrophobicContact CB-CG 4.31Å
285	L	61	Low	61.4	Low	35 Å²	35	94.6 Å²	94.6	18%	0.183	48%	0.482	C	S	.	.	H	α-helix	trans	-59.9	-37.4	-177.2	-154.8	175.2	0	0	0	112.5	K283 F784 E788 C791	K283-L285 VanDerWaalsContact C-N 3.31Å; K283-L285 PolarHBondContact O-N 3.26Å; L285-F784 HydrophobicContact CD2-CE2 3.72Å; L285-F784 HydrophobicContact CD2-CZ 3.62Å; L285-E788 HydrophobicContact CD1-CB 4.09Å; L285-E788 HydrophobicContact CD1-CG 4.19Å; L285-E788 HydrophobicContact CD2-CB 4.26Å; L285-E788 HydrophobicContact CG-CB 4.07Å; L285-C791 HydrophobicContact CD1-CB 3.92Å
286	S	59.3	Low	62	Low	78 Å²	78	95.6 Å²	95.6	55%	0.545	49%	0.49	S	S	.	.	H	α-helix	trans	-70.5	-35.4	-176.6	61	0	0	0	0	113.5	K283 H284 R289	K283-S286 PolarHBondContact O-OG 3.11Å; K283-S286 VanDerWaalsContact O-OG 3.04Å; H284-S286 VanDerWaalsContact C-N 3.31Å; H284-S286 PolarHBondContact O-N 3.21Å; S286-R289 WeakPolarHBondContact O-CB 3.47Å; S286-R289 PolarHBondContact O-N 3.37Å
287	A	64.8	Low	63	Low	64 Å²	64	95.1 Å²	95.1	53%	0.529	48%	0.484	S	S	.	.	H	α-helix	trans	-67	-45	-179.2	0	0	0	0	0	112.1	H284 R289 Q290	H284-A287 PolarHBondContact O-N 3.07Å; A287-R289 PolarHBondContact O-N 2.84Å; A287-Q290 PolarHBondContact O-N 3.27Å; A287-Q290 VanDerWaalsContact O-N 3.13Å
288	L	63.7	Low	63.9	Low	60 Å²	60	93.9 Å²	93.9	31%	0.314	48%	0.477	S	S	.	.	H	α-helix	trans	-59.1	-30.5	178.6	-69.4	167.9	0	0	0	112.3	Q290 A291 F784 M787	L288-Q290 VanDerWaalsContact C-N 3.3Å; L288-Q290 PolarHBondContact O-N 2.65Å; L288-A291 PolarHBondContact O-N 3.29Å; L288-F784 HydrophobicContact CB-CD2 3.78Å; L288-M787 HydrophobicContact CD1-CB 3.77Å; L288-M787 HydrophobicContact CD1-CG 4.1Å
289	R	62.8	Low	64.6	Low	182 Å²	182	92.5 Å²	92.5	69%	0.687	47%	0.473	S	S	*	.	H	α-helix	trans	-64.4	-31.7	178.9	-154.3	172	178.3	164.7	-0.4	113.4	S286 A287 F784	S286-R289 WeakPolarHBondContact O-CB 3.47Å; S286-R289 PolarHBondContact O-N 3.37Å; A287-R289 PolarHBondContact O-N 2.84Å; R289-F784 HydrophobicContact CB-CD2 4.43Å; R289-F784 HydrophobicContact CB-CE2 3.65Å; R289-F784 HydrophobicContact CB-CZ 4.34Å; R289-F784 HydrophobicContact CG-CE2 3.91Å; R289-F784 HydrophobicContact CG-CZ 4.14Å
290	Q	60.9	Low	65.6	Low	166 Å²	166	94.1 Å²	94.1	78%	0.776	48%	0.48	S	S	*	.	H	α-helix	trans	-79.7	-28	-179.3	-67.9	-175.4	-18	0	0	112.2	A287 L288 Q292	A287-Q290 PolarHBondContact O-N 3.27Å; A287-Q290 VanDerWaalsContact O-N 3.13Å; L288-Q290 VanDerWaalsContact C-N 3.3Å; L288-Q290 PolarHBondContact O-N 2.65Å; Q290-Q292 PolarHBondContact O-N 2.67Å
291	A	65.6	Low	66.6	Low	60 Å²	60	92.1 Å²	92.1	50%	0.496	47%	0.471	S	S	.	.	H	α-helix	trans	-72.1	-24.1	178.9	0	0	0	0	0	114.2	L288 P294	L288-A291 PolarHBondContact O-N 3.29Å; A291-P294 WeakPolarHBondContact O-CD 3.4Å
292	Q	63.4	Low	67.6	Low	44 Å²	44	92 Å²	92	21%	0.206	47%	0.468	C	S	.	.	S	Bend	trans	-80.4	-28.4	-170.4	-161.1	177.5	47.3	0	0	114.2	Q290 M295	Q290-Q292 PolarHBondContact O-N 2.67Å; Q292-M295 PolarHBondContact O-N 3.35Å
293	A	64.9	Low	68.4	Low	63 Å²	63	89.8 Å²	89.8	52%	0.521	46%	0.461	S	S	.	.	H	α-helix	trans	-58.5	-41.9	-175.6	0	0	0	0	0	116.2
294	P	70.9	Confident	69.5	Low	83 Å²	83	85.9 Å²	85.9	54%	0.539	45%	0.448	S	S	.	.	H	α-helix	trans	-70	-29	179.1	25.6	-35.2	0	0	0	114.1	A291 K297 K298	A291-P294 WeakPolarHBondContact O-CD 3.4Å; P294-K297 PolarHBondContact O-N 3.09Å; P294-K298 PolarHBondContact O-N 3.41Å
295	M	68.8	Low	70.4	Confident	62 Å²	62	85.4 Å²	85.4	31%	0.305	45%	0.446	S	S	.	.	H	α-helix	trans	-67.6	-41.5	-177	-62.6	-177.4	173.5	0	0	112.2	Q292 K297 K298 I299 C777	Q292-M295 PolarHBondContact O-N 3.35Å; M295-K297 VanDerWaalsContact C-N 3.28Å; M295-K297 PolarHBondContact O-N 3.34Å; M295-K298 WeakPolarHBondContact O-CB 3.14Å; M295-K298 PolarHBondContact O-N 3.33Å; M295-I299 PolarHBondContact O-N 3.17Å; M295-I299 VanDerWaalsContact O-N 3.12Å; M295-C777 WeakPolarHBondContact CB-SG 3.41Å
296	L	69.2	Low	71.3	Confident	103 Å²	103	84.6 Å²	84.6	54%	0.539	44%	0.442	S	S	.	.	H	α-helix	trans	-59.7	-37	176.9	-70.8	168.1	0	0	0	112.4	K298 I299 Q300	L296-K298 VanDerWaalsContact C-N 3.32Å; L296-K298 PolarHBondContact O-N 3.29Å; L296-I299 PolarHBondContact O-N 3.13Å; L296-Q300 PolarHBondContact O-N 3.15Å
297	K	75.1	Confident	72.3	Confident	158 Å²	158	86.8 Å²	86.8	69%	0.687	44%	0.442	S	S	*	.	H	α-helix	trans	-65	-33.8	173.4	-76.3	-172.5	173.4	-176.6	0	112.8	P294 M295 Q300 Q301	P294-K297 PolarHBondContact O-N 3.09Å; M295-K297 VanDerWaalsContact C-N 3.28Å; M295-K297 PolarHBondContact O-N 3.34Å; K297-Q300 WeakPolarHBondContact O-CB 3.47Å; K297-Q301 WeakPolarHBondContact O-CG 3.38Å; K297-Q301 PolarHBondContact O-N 2.89Å
298	K	75.3	Confident	73.2	Confident	91 Å²	91	86.7 Å²	86.7	40%	0.396	44%	0.435	S	S	.	.	H	α-helix	trans	-72.8	-36.3	178.6	-159.7	-175.6	-179.7	-156.4	0	112.2	P294 M295 L296 Q300 Q301 I302 E769 L773	P294-K298 PolarHBondContact O-N 3.41Å; M295-K298 WeakPolarHBondContact O-CB 3.14Å; M295-K298 PolarHBondContact O-N 3.33Å; L296-K298 VanDerWaalsContact C-N 3.32Å; L296-K298 PolarHBondContact O-N 3.29Å; K298-Q300 VanDerWaalsContact C-N 3.35Å; K298-Q301 PolarHBondContact O-N 3.25Å; K298-I302 WeakPolarHBondContact O-CG1 3.33Å; K298-I302 PolarHBondContact O-N 2.8Å; K298-I302 VanDerWaalsContact O-N 3.12Å; K298-E769 IonicContact NZ-OE1 3.08Å; K298-E769 PolarHBondContact NZ-OE1 3.03Å; K298-L773 HydrophobicContact CD-CD1 3.85Å; K298-L773 HydrophobicContact CG-CD1 4.28Å
299	I	78.2	Confident	74.1	Confident	18 Å²	18	84.5 Å²	84.5	9%	0.092	42%	0.424	C	S	.	.	H	α-helix	trans	-60.1	-46	173.1	-65.8	167	0	0	0	110.5	M295 L296 Q301 I302 D303 K770 L773 E774 C777	M295-I299 PolarHBondContact O-N 3.17Å; M295-I299 VanDerWaalsContact O-N 3.12Å; L296-I299 PolarHBondContact O-N 3.13Å; I299-Q301 VanDerWaalsContact C-N 3.29Å; I299-Q301 PolarHBondContact O-N 3.12Å; I299-I302 PolarHBondContact O-N 3.3Å; I299-I302 VanDerWaalsContact O-N 3.16Å; I299-D303 PolarHBondContact O-N 3.41Å; I299-D303 VanDerWaalsContact O-N 3.16Å; I299-K770 HydrophobicContact CG2-CG 4.45Å; I299-L773 HydrophobicContact CD1-CB 4.37Å; I299-L773 HydrophobicContact CG1-CB 3.94Å; I299-E774 HydrophobicContact CD1-CG 4.01Å; I299-E774 HydrophobicContact CG2-CG 4.32Å; I299-C777 HydrophobicContact CD1-CB 4.14Å
300	Q	75.8	Confident	74.9	Confident	130 Å²	130	80.3 Å²	80.3	61%	0.607	41%	0.412	S	S	*	.	H	α-helix	trans	-55.4	-43.5	176.4	-165.6	90.8	39.8	0	0	112	L296 K297 K298 D303 D304	L296-Q300 PolarHBondContact O-N 3.15Å; K297-Q300 WeakPolarHBondContact O-CB 3.47Å; K298-Q300 VanDerWaalsContact C-N 3.35Å; Q300-D303 PolarHBondContact O-N 3.09Å; Q300-D304 PolarHBondContact O-N 2.71Å
301	Q	79.9	Confident	75.9	Confident	121 Å²	121	75.2 Å²	75.2	57%	0.565	40%	0.399	S	S	*	.	H	α-helix	trans	-64.6	-39.8	178.2	-71.3	170.9	-27.5	0	0	112.5	K297 K298 I299 D303 D304 H305	K297-Q301 WeakPolarHBondContact O-CG 3.38Å; K297-Q301 PolarHBondContact O-N 2.89Å; K298-Q301 PolarHBondContact O-N 3.25Å; I299-Q301 VanDerWaalsContact C-N 3.29Å; I299-Q301 PolarHBondContact O-N 3.12Å; Q301-D303 VanDerWaalsContact C-N 3.34Å; Q301-D303 PolarHBondContact O-N 2.91Å; Q301-D304 PolarHBondContact O-N 3.1Å; Q301-H305 PolarHBondContact O-CD2 3.45Å; Q301-H305 PolarHBondContact O-N 3.01Å
302	I	80.8	Confident	76.8	Confident	11 Å²	11	76.9 Å²	76.9	6%	0.056	40%	0.396	C	S	.	.	H	α-helix	trans	-65	-38.2	178	-65.1	165.3	0	0	0	111.1	K298 I299 D304 H305 L306 L766 E769 K770 L773	K298-I302 WeakPolarHBondContact O-CG1 3.33Å; K298-I302 PolarHBondContact O-N 2.8Å; K298-I302 VanDerWaalsContact O-N 3.12Å; I299-I302 PolarHBondContact O-N 3.3Å; I299-I302 VanDerWaalsContact O-N 3.16Å; I302-D304 VanDerWaalsContact C-N 3.29Å; I302-D304 PolarHBondContact O-N 3.39Å; I302-H305 PolarHBondContact O-N 3.05Å; I302-H305 VanDerWaalsContact O-N 3.12Å; I302-L306 HydrophobicContact CG2-CD1 4.15Å; I302-L306 HydrophobicContact CG2-CG 4.34Å; I302-L306 WeakPolarHBondContact O-CG 3.45Å; I302-L306 PolarHBondContact O-N 2.87Å; I302-L766 HydrophobicContact CG2-CB 4.18Å; I302-L766 HydrophobicContact CG2-CD2 4.39Å; I302-E769 HydrophobicContact CD1-CG 4.27Å; I302-K770 HydrophobicContact CG2-CB 4Å; I302-L773 HydrophobicContact CD1-CD1 3.68Å
303	D	77.6	Confident	77.7	Confident	49 Å²	49	76.3 Å²	76.3	26%	0.262	39%	0.394	S	S	.	.	H	α-helix	trans	-63.8	-31.5	175.7	-93.1	-25.8	0	0	0	113.6	I299 Q300 Q301 H305 K307 K770	I299-D303 PolarHBondContact O-N 3.41Å; I299-D303 VanDerWaalsContact O-N 3.16Å; Q300-D303 PolarHBondContact O-N 3.09Å; Q301-D303 VanDerWaalsContact C-N 3.34Å; Q301-D303 PolarHBondContact O-N 2.91Å; D303-H305 VanDerWaalsContact C-N 3.35Å; D303-K307 WeakPolarHBondContact O-CD 3.42Å; D303-K307 WeakPolarHBondContact O-CE 3.48Å; D303-K307 WeakPolarHBondContact O-CG 3.32Å; D303-K770 IonicContact OD1-NZ 2.66Å; D303-K770 PolarHBondContact OD1-NZ 3.05Å; D303-K770 IonicContact OD2-NZ 2.72Å; D303-K770 PolarHBondContact OD2-NZ 2.99Å
304	D	80.4	Confident	78.6	Confident	91 Å²	91	79.8 Å²	79.8	49%	0.487	40%	0.398	S	S	.	.	H	α-helix	trans	-75.6	-23.3	174.6	-70.7	-30.8	0	0	0	112.8	Q300 Q301 I302 K307 P308	Q300-D304 PolarHBondContact O-N 2.71Å; Q301-D304 PolarHBondContact O-N 3.1Å; I302-D304 VanDerWaalsContact C-N 3.29Å; I302-D304 PolarHBondContact O-N 3.39Å; D304-K307 IonicContact OD1-NZ 3.1Å; D304-K307 PolarHBondContact OD1-NZ 3.31Å; D304-P308 WeakPolarHBondContact O-CD 3.41Å
305	H	79.6	Confident	79.3	Confident	124 Å²	124	78.8 Å²	78.8	57%	0.574	40%	0.396	S	S	*	.	H	α-helix	trans	-80.6	-30.4	170	-82.4	-81.6	0	0	0	114	Q301 I302 D303 P308	Q301-H305 PolarHBondContact O-CD2 3.45Å; Q301-H305 PolarHBondContact O-N 3.01Å; I302-H305 PolarHBondContact O-N 3.05Å; I302-H305 VanDerWaalsContact O-N 3.12Å; D303-H305 VanDerWaalsContact C-N 3.35Å; H305-P308 WeakPolarHBondContact O-CD 3.47Å; H305-P308 WeakPolarHBondContact O-CG 3.16Å
306	L	80.2	Confident	80.2	Confident	18 Å²	18	78.5 Å²	78.5	9%	0.094	39%	0.393	C	S	.	.	H	α-helix	trans	-68.4	-39.1	179.7	-75.1	169.7	0	0	0	113	I302 N309 E310 M763 L766 K770	I302-L306 HydrophobicContact CG2-CD1 4.15Å; I302-L306 HydrophobicContact CG2-CG 4.34Å; I302-L306 WeakPolarHBondContact O-CG 3.45Å; I302-L306 PolarHBondContact O-N 2.87Å; L306-N309 PolarHBondContact O-N 3.1Å; L306-E310 PolarHBondContact O-N 3.13Å; L306-M763 HydrophobicContact CD2-CB 4.45Å; L306-M763 HydrophobicContact CD2-CG 4.31Å; L306-L766 HydrophobicContact CD2-CB 3.87Å; L306-K770 HydrophobicContact CD1-CD 4.23Å
307	K	80.1	Confident	80.9	Confident	124 Å²	124	76.4 Å²	76.4	54%	0.539	39%	0.385	S	S	.	.	H	α-helix	trans	-55.6	-50.7	-178.3	-66.1	159.2	-164.1	165	0	114.5	D303 D304 A311	D303-K307 WeakPolarHBondContact O-CD 3.42Å; D303-K307 WeakPolarHBondContact O-CE 3.48Å; D303-K307 WeakPolarHBondContact O-CG 3.32Å; D304-K307 IonicContact OD1-NZ 3.1Å; D304-K307 PolarHBondContact OD1-NZ 3.31Å; K307-A311 PolarHBondContact O-N 3.09Å
308	P	83.1	Confident	81.4	Confident	62 Å²	62	71.9 Å²	71.9	40%	0.403	38%	0.377	S	S	.	.	H	α-helix	trans	-67.6	-34.1	177.1	25.7	-34.8	0	0	0	112.9	D304 H305 E310 A311 Q312	D304-P308 WeakPolarHBondContact O-CD 3.41Å; H305-P308 WeakPolarHBondContact O-CD 3.47Å; H305-P308 WeakPolarHBondContact O-CG 3.16Å; P308-E310 VanDerWaalsContact C-N 3.35Å; P308-E310 PolarHBondContact O-N 2.72Å; P308-A311 WeakPolarHBondContact O-CB 3.49Å; P308-A311 PolarHBondContact O-N 2.68Å; P308-A311 VanDerWaalsContact O-N 3.15Å; P308-Q312 PolarHBondContact O-N 3.15Å
309	N	82.7	Confident	82	Confident	15 Å²	15	69.1 Å²	69.1	8%	0.08	37%	0.371	C	S	.	.	H	α-helix	trans	-67.1	-36	179.1	-75.7	2.7	0	0	0	111.6	L306 A311 Q312 M313 E762 M763	L306-N309 PolarHBondContact O-N 3.1Å; N309-A311 PolarHBondContact O-N 3.46Å; N309-Q312 PolarHBondContact O-N 2.75Å; N309-M313 WeakPolarHBondContact O-CB 3.49Å; N309-M313 VanDerWaalsContact O-CG 3.29Å; N309-M313 WeakPolarHBondContact O-CG 3.44Å; N309-M313 PolarHBondContact O-N 3.11Å; N309-E762 PolarHBondContact ND2-OE1 3.22Å; N309-M763 HydrophobicContact CB-CG 3.82Å; N309-M763 HydrophobicContact CB-SD 4.1Å
310	E	80.1	Confident	82.4	Confident	93 Å²	93	69.7 Å²	69.7	44%	0.435	37%	0.374	S	S	.	.	H	α-helix	trans	-57.9	-42.7	168.5	-94.8	-157.1	-150.3	0	0	113.6	L306 P308 M313 K314 M763	L306-E310 PolarHBondContact O-N 3.13Å; P308-E310 VanDerWaalsContact C-N 3.35Å; P308-E310 PolarHBondContact O-N 2.72Å; E310-M313 PolarHBondContact O-N 3.21Å; E310-K314 WeakPolarHBondContact O-CG 3.49Å; E310-K314 PolarHBondContact O-N 3.35Å; E310-K314 VanDerWaalsContact O-N 3.09Å; E310-K314 IonicContact OE2-NZ 2.59Å; E310-K314 PolarHBondContact OE2-NZ 3.46Å; E310-M763 HydrophobicContact CG-CE 3.52Å; E310-M763 HydrophobicContact CG-SD 4.4Å
311	A	82.4	Confident	82.9	Confident	60 Å²	60	71.1 Å²	71.1	50%	0.496	38%	0.378	S	S	.	.	H	α-helix	trans	-66.3	-42.8	179.6	0	0	0	0	0	111.1	K307 P308 N309 K314 A315	K307-A311 PolarHBondContact O-N 3.09Å; P308-A311 WeakPolarHBondContact O-CB 3.49Å; P308-A311 PolarHBondContact O-N 2.68Å; P308-A311 VanDerWaalsContact O-N 3.15Å; N309-A311 PolarHBondContact O-N 3.46Å; A311-K314 PolarHBondContact O-N 2.93Å; A311-A315 PolarHBondContact O-N 3.25Å
312	Q	84.6	Confident	83.3	Confident	94 Å²	94	70.5 Å²	70.5	44%	0.439	38%	0.375	S	S	.	.	H	α-helix	trans	-62.6	-42	173.7	-66.4	-167.1	45.3	0	0	112	P308 N309 K314 A315 K316 L759	P308-Q312 PolarHBondContact O-N 3.15Å; N309-Q312 PolarHBondContact O-N 2.75Å; Q312-K314 VanDerWaalsContact C-N 3.31Å; Q312-K314 PolarHBondContact O-N 3.15Å; Q312-A315 PolarHBondContact O-N 3.41Å; Q312-K316 VanDerWaalsContact O-CG 3.31Å; Q312-K316 WeakPolarHBondContact O-CG 3.38Å; Q312-K316 PolarHBondContact O-N 3.2Å; Q312-L759 HydrophobicContact CB-CD1 4.04Å
313	M	82.5	Confident	83.6	Confident	33 Å²	33	70.1 Å²	70.1	16%	0.163	37%	0.374	C	S	.	.	H	α-helix	trans	-58.5	-39.4	175.8	-81	-74	-81.1	0	0	113	N309 E310 T317 K756 L759 A760 M763	N309-M313 WeakPolarHBondContact O-CB 3.49Å; N309-M313 VanDerWaalsContact O-CG 3.29Å; N309-M313 WeakPolarHBondContact O-CG 3.44Å; N309-M313 PolarHBondContact O-N 3.11Å; E310-M313 PolarHBondContact O-N 3.21Å; M313-T317 WeakPolarHBondContact O-CB 3.35Å; M313-T317 PolarHBondContact O-N 3.13Å; M313-T317 VanDerWaalsContact O-N 3.14Å; M313-T317 PolarHBondContact O-OG1 2.88Å; M313-K756 HydrophobicContact CE-CG 4.02Å; M313-K756 HydrophobicContact SD-CB 4.46Å; M313-K756 HydrophobicContact SD-CG 3.57Å; M313-K756 VanDerWaalsContact SD-CG 3.57Å; M313-K756 VanDerWaalsContact SD-O 3.33Å; M313-L759 HydrophobicContact CG-CB 4.04Å; M313-L759 HydrophobicContact SD-CB 3.69Å; M313-A760 HydrophobicContact CE-CB 3.7Å; M313-A760 HydrophobicContact SD-CB 4.44Å; M313-M763 HydrophobicContact CG-SD 3.82Å
314	K	83.4	Confident	84	Confident	136 Å²	136	70.1 Å²	70.1	59%	0.591	38%	0.377	S	S	*	.	H	α-helix	trans	-66	-47	174.2	-70.4	161.8	-169.7	159.3	0	110.7	E310 A311 Q312 T317 A318	E310-K314 WeakPolarHBondContact O-CG 3.49Å; E310-K314 PolarHBondContact O-N 3.35Å; E310-K314 VanDerWaalsContact O-N 3.09Å; E310-K314 IonicContact OE2-NZ 2.59Å; E310-K314 PolarHBondContact OE2-NZ 3.46Å; A311-K314 PolarHBondContact O-N 2.93Å; Q312-K314 VanDerWaalsContact C-N 3.31Å; Q312-K314 PolarHBondContact O-N 3.15Å; K314-T317 WeakPolarHBondContact O-CB 3.28Å; K314-T317 PolarHBondContact O-N 2.92Å; K314-A318 PolarHBondContact O-N 3.08Å
315	A	85.9	Confident	84.3	Confident	62 Å²	62	69.3 Å²	69.3	51%	0.512	38%	0.376	S	S	.	.	H	α-helix	trans	-62.3	-47.7	177.9	0	0	0	0	0	113.5	A311 Q312 T317 A318 A319	A311-A315 PolarHBondContact O-N 3.25Å; Q312-A315 PolarHBondContact O-N 3.41Å; A315-T317 VanDerWaalsContact C-N 3.26Å; A315-T317 PolarHBondContact O-N 3.33Å; A315-A318 WeakPolarHBondContact O-CB 3.3Å; A315-A318 PolarHBondContact O-N 2.95Å; A315-A318 VanDerWaalsContact O-N 3.15Å; A315-A319 PolarHBondContact O-N 3.41Å; A315-A319 VanDerWaalsContact O-N 3.14Å
316	K	87.3	Confident	84.7	Confident	56 Å²	56	67.7 Å²	67.7	24%	0.243	37%	0.367	C	S	.	.	H	α-helix	trans	-60.7	-36.2	176.2	-64	-72.5	-178.7	175.6	0	111.5	Q312 A318 A319 I320 L752 E755 L759	Q312-K316 VanDerWaalsContact O-CG 3.31Å; Q312-K316 WeakPolarHBondContact O-CG 3.38Å; Q312-K316 PolarHBondContact O-N 3.2Å; K316-A318 PolarHBondContact O-N 3.22Å; K316-A319 PolarHBondContact O-N 3.24Å; K316-I320 WeakPolarHBondContact O-CD1 3.17Å; K316-I320 VanDerWaalsContact O-CG1 3.25Å; K316-I320 WeakPolarHBondContact O-CG1 3.43Å; K316-I320 PolarHBondContact O-N 2.7Å; K316-L752 HydrophobicContact CD-CD2 4.02Å; K316-E755 WeakPolarHBondContact CE-OE2 3.41Å; K316-E755 IonicContact NZ-OE2 2.72Å; K316-E755 PolarHBondContact NZ-OE2 2.78Å; K316-L759 HydrophobicContact CG-CD1 4.38Å
317	T	84.6	Confident	85	Confident	59 Å²	59	67.3 Å²	67.3	36%	0.362	37%	0.366	S	S	.	.	H	α-helix	trans	-64.3	-37.7	176.4	-59.5	0	0	0	0	112.4	M313 K314 A315 K321 K756	M313-T317 WeakPolarHBondContact O-CB 3.35Å; M313-T317 PolarHBondContact O-N 3.13Å; M313-T317 VanDerWaalsContact O-N 3.14Å; M313-T317 PolarHBondContact O-OG1 2.88Å; K314-T317 WeakPolarHBondContact O-CB 3.28Å; K314-T317 PolarHBondContact O-N 2.92Å; A315-T317 VanDerWaalsContact C-N 3.26Å; A315-T317 PolarHBondContact O-N 3.33Å; T317-K321 PolarHBondContact O-N 3.36Å; T317-K756 WeakPolarHBondContact OG1-CE 3.41Å; T317-K756 PolarHBondContact OG1-NZ 3.38Å
318	A	85.9	Confident	85.3	Confident	62 Å²	62	67.9 Å²	67.9	51%	0.512	37%	0.368	S	S	.	.	H	α-helix	trans	-65.2	-46.6	173.3	0	0	0	0	0	111.9	K314 A315 K316 I320 K321 E322	K314-A318 PolarHBondContact O-N 3.08Å; A315-A318 WeakPolarHBondContact O-CB 3.3Å; A315-A318 PolarHBondContact O-N 2.95Å; A315-A318 VanDerWaalsContact O-N 3.15Å; K316-A318 PolarHBondContact O-N 3.22Å; A318-I320 PolarHBondContact O-N 2.77Å; A318-K321 WeakPolarHBondContact O-CB 3.27Å; A318-K321 PolarHBondContact O-N 3.32Å; A318-K321 VanDerWaalsContact O-N 3.09Å; A318-E322 PolarHBondContact O-N 3.35Å
319	A	87.5	Confident	85.5	Confident	33 Å²	33	70.1 Å²	70.1	27%	0.273	37%	0.374	S	S	.	.	H	α-helix	trans	-61.8	-38.6	178.3	0	0	0	0	0	113.1	A315 K316 K321 E322 A323 L752	A315-A319 PolarHBondContact O-N 3.41Å; A315-A319 VanDerWaalsContact O-N 3.14Å; K316-A319 PolarHBondContact O-N 3.24Å; A319-K321 VanDerWaalsContact C-N 3.32Å; A319-K321 PolarHBondContact O-N 2.96Å; A319-E322 PolarHBondContact O-N 3.49Å; A319-A323 WeakPolarHBondContact O-CB 3.46Å; A319-A323 PolarHBondContact O-N 3Å; A319-L752 HydrophobicContact CB-CD1 3.94Å
320	I	87	Confident	85.7	Confident	30 Å²	30	72.9 Å²	72.9	15%	0.154	39%	0.385	C	S	.	.	H	α-helix	trans	-61.1	-41	173.3	-69.7	163.6	0	0	0	111	K316 A318 S324 R749 L752 K756	K316-I320 WeakPolarHBondContact O-CD1 3.17Å; K316-I320 VanDerWaalsContact O-CG1 3.25Å; K316-I320 WeakPolarHBondContact O-CG1 3.43Å; K316-I320 PolarHBondContact O-N 2.7Å; A318-I320 PolarHBondContact O-N 2.77Å; I320-S324 WeakPolarHBondContact O-CB 3.42Å; I320-S324 PolarHBondContact O-N 2.9Å; I320-R749 HydrophobicContact CG2-CG 4.19Å; I320-L752 HydrophobicContact CD1-CB 4.32Å; I320-L752 HydrophobicContact CG1-CB 3.64Å; I320-K756 HydrophobicContact CD1-CB 4.07Å; I320-K756 HydrophobicContact CD1-CD 3.83Å
321	K	85.8	Confident	85.9	Confident	160 Å²	160	71.9 Å²	71.9	70%	0.696	38%	0.38	S	S	*	.	H	α-helix	trans	-64	-44.4	178	-170.1	179.3	180	-177.9	0	111.1	T317 A318 A319 S324 V325	T317-K321 PolarHBondContact O-N 3.36Å; A318-K321 WeakPolarHBondContact O-CB 3.27Å; A318-K321 PolarHBondContact O-N 3.32Å; A318-K321 VanDerWaalsContact O-N 3.09Å; A319-K321 VanDerWaalsContact C-N 3.32Å; A319-K321 PolarHBondContact O-N 2.96Å; K321-S324 PolarHBondContact O-N 2.95Å; K321-V325 WeakPolarHBondContact O-CG2 3.2Å; K321-V325 PolarHBondContact O-N 3.36Å
322	E	88.4	Confident	86.1	Confident	108 Å²	108	72 Å²	72	51%	0.505	37%	0.372	S	S	.	.	H	α-helix	trans	-63.4	-48.7	177.7	-164.9	-162	139.7	0	0	112.4	A318 A319 S324 V325 K326	A318-E322 PolarHBondContact O-N 3.35Å; A319-E322 PolarHBondContact O-N 3.49Å; E322-S324 PolarHBondContact O-N 3.5Å; E322-V325 PolarHBondContact O-N 3.36Å; E322-V325 VanDerWaalsContact O-N 3.14Å; E322-K326 PolarHBondContact O-N 2.87Å; E322-K326 VanDerWaalsContact OE1-CE 3.3Å; E322-K326 WeakPolarHBondContact OE1-CE 3.45Å; E322-K326 IonicContact OE1-NZ 3.22Å; E322-K326 PolarHBondContact OE1-NZ 3.32Å
323	A	87.5	Confident	86.2	Confident	4 Å²	4	71.4 Å²	71.4	3%	0.033	37%	0.369	C	S	.	.	H	α-helix	trans	-59.1	-36.8	175.5	0	0	0	0	0	111.9	A319 K326 C327 R749	A319-A323 WeakPolarHBondContact O-CB 3.46Å; A319-A323 PolarHBondContact O-N 3Å; A323-K326 PolarHBondContact O-N 3.21Å; A323-C327 PolarHBondContact O-N 3.44Å; A323-C327 PolarHBondContact O-SG 2.82Å; A323-R749 HydrophobicContact CB-CB 4.33Å
324	S	85.1	Confident	86.5	Confident	48 Å²	48	71.2 Å²	71.2	34%	0.336	37%	0.369	S	S	.	.	H	α-helix	trans	-66.8	-38.6	175.9	-154.1	0	0	0	0	112.8	I320 K321 E322 C327 K328	I320-S324 WeakPolarHBondContact O-CB 3.42Å; I320-S324 PolarHBondContact O-N 2.9Å; K321-S324 PolarHBondContact O-N 2.95Å; E322-S324 PolarHBondContact O-N 3.5Å; S324-C327 WeakPolarHBondContact O-CB 3.32Å; S324-C327 PolarHBondContact O-N 3.44Å; S324-K328 PolarHBondContact O-N 2.81Å
325	V	87.7	Confident	86.5	Confident	75 Å²	75	68.2 Å²	68.2	46%	0.455	36%	0.359	S	S	.	.	H	α-helix	trans	-65.1	-43.5	173.2	172.4	0	0	0	0	111	K321 E322 K328 Q329	K321-V325 WeakPolarHBondContact O-CG2 3.2Å; K321-V325 PolarHBondContact O-N 3.36Å; E322-V325 PolarHBondContact O-N 3.36Å; E322-V325 VanDerWaalsContact O-N 3.14Å; V325-K328 PolarHBondContact O-N 3.12Å; V325-K328 VanDerWaalsContact O-N 3.16Å; V325-Q329 HydrophobicContact CG1-CG 4.44Å; V325-Q329 WeakPolarHBondContact O-CG 3.46Å; V325-Q329 PolarHBondContact O-N 3.45Å
326	K	87.9	Confident	86.5	Confident	89 Å²	89	74 Å²	74	39%	0.387	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-39.1	176.4	-74.4	174	170.7	173.4	0	112.5	E322 A323 K330 Q745	E322-K326 PolarHBondContact O-N 2.87Å; E322-K326 VanDerWaalsContact OE1-CE 3.3Å; E322-K326 WeakPolarHBondContact OE1-CE 3.45Å; E322-K326 IonicContact OE1-NZ 3.22Å; E322-K326 PolarHBondContact OE1-NZ 3.32Å; A323-K326 PolarHBondContact O-N 3.21Å; K326-K330 WeakPolarHBondContact O-CG 3.29Å; K326-K330 PolarHBondContact O-N 2.86Å; K326-Q745 HydrophobicContact CB-CG 4.47Å
327	C	85.4	Confident	86.5	Confident	10 Å²	10	73.7 Å²	73.7	7%	0.068	37%	0.367	C	S	.	.	H	α-helix	trans	-56.6	-50.5	168.4	-79	0	0	0	0	111.7	A323 S324 K330 Q331 Q745	A323-C327 PolarHBondContact O-N 3.44Å; A323-C327 PolarHBondContact O-SG 2.82Å; S324-C327 WeakPolarHBondContact O-CB 3.32Å; S324-C327 PolarHBondContact O-N 3.44Å; C327-K330 PolarHBondContact O-N 2.97Å; C327-Q331 PolarHBondContact O-N 3.22Å; C327-Q745 WeakPolarHBondContact SG-CB 3.33Å
328	K	85.8	Confident	86.5	Confident	137 Å²	137	75 Å²	75	60%	0.596	37%	0.369	S	S	*	.	H	α-helix	trans	-62	-48.4	-177.7	-172.6	176.9	177.9	-179.4	0	112	S324 V325 K330 Q331 D332	S324-K328 PolarHBondContact O-N 2.81Å; V325-K328 PolarHBondContact O-N 3.12Å; V325-K328 VanDerWaalsContact O-N 3.16Å; K328-K330 PolarHBondContact O-N 3.13Å; K328-K330 VanDerWaalsContact O-N 3.16Å; K328-Q331 WeakPolarHBondContact O-CB 3.47Å; K328-Q331 PolarHBondContact O-N 3.33Å; K328-D332 PolarHBondContact O-N 2.88Å
329	Q	87.4	Confident	86.4	Confident	109 Å²	109	79.1 Å²	79.1	51%	0.509	38%	0.375	S	S	.	.	H	α-helix	trans	-57.1	-32.3	177.1	-71.9	175.1	-14.8	0	0	113	V325 Q333	V325-Q329 HydrophobicContact CG1-CG 4.44Å; V325-Q329 WeakPolarHBondContact O-CG 3.46Å; V325-Q329 PolarHBondContact O-N 3.45Å; Q329-Q333 VanDerWaalsContact O-CG 3.32Å; Q329-Q333 WeakPolarHBondContact O-CG 3.34Å; Q329-Q333 PolarHBondContact O-N 3.32Å
330	K	86.9	Confident	86.3	Confident	73 Å²	73	80.8 Å²	80.8	32%	0.317	38%	0.377	S	S	.	.	H	α-helix	trans	-79.8	-34.3	175.7	-73.4	-75.2	165.8	-166.4	0	112.9	K326 C327 K328 Q333 L334 I738 A741 I742	K326-K330 WeakPolarHBondContact O-CG 3.29Å; K326-K330 PolarHBondContact O-N 2.86Å; C327-K330 PolarHBondContact O-N 2.97Å; K328-K330 PolarHBondContact O-N 3.13Å; K328-K330 VanDerWaalsContact O-N 3.16Å; K330-Q333 PolarHBondContact O-N 3.02Å; K330-L334 PolarHBondContact O-N 2.89Å; K330-I738 HydrophobicContact CD-CG2 4.44Å; K330-I738 VanDerWaalsContact O-CG2 3.31Å; K330-I738 WeakPolarHBondContact O-CG2 3.45Å; K330-A741 HydrophobicContact CD-CB 4.42Å; K330-I742 HydrophobicContact CB-CD1 4.28Å; K330-I742 HydrophobicContact CB-CG1 3.54Å
331	Q	84.4	Confident	86.2	Confident	71 Å²	71	79.6 Å²	79.6	33%	0.332	37%	0.371	S	S	.	.	H	α-helix	trans	-61.2	-48	168.6	-171.7	65	48.2	0	0	110.9	C327 K328 Q333 L334 D335	C327-Q331 PolarHBondContact O-N 3.22Å; K328-Q331 WeakPolarHBondContact O-CB 3.47Å; K328-Q331 PolarHBondContact O-N 3.33Å; Q331-Q333 PolarHBondContact O-N 2.87Å; Q331-Q333 VanDerWaalsContact O-N 3.1Å; Q331-L334 WeakPolarHBondContact O-CA 3.22Å; Q331-L334 WeakPolarHBondContact O-CB 3.39Å; Q331-L334 PolarHBondContact O-N 3.25Å; Q331-D335 PolarHBondContact NE2-OD1 3.07Å; Q331-D335 VanDerWaalsContact O-CG 3.28Å; Q331-D335 PolarHBondContact O-N 3.34Å
332	D	86.1	Confident	86.1	Confident	63 Å²	63	74.7 Å²	74.7	34%	0.337	35%	0.352	S	S	.	.	H	α-helix	trans	-58.6	-27	177.2	-59.3	-32.6	0	0	0	112.3	K328 R336	K328-D332 PolarHBondContact O-N 2.88Å; D332-R336 WeakPolarHBondContact O-CD 3.3Å; D332-R336 VanDerWaalsContact O-CG 3.22Å; D332-R336 WeakPolarHBondContact O-CG 3.46Å; D332-R336 PolarHBondContact O-NE 3.14Å
333	Q	87.6	Confident	85.8	Confident	81 Å²	81	73.8 Å²	73.8	38%	0.379	35%	0.351	S	S	.	.	H	α-helix	trans	-79	-38.9	172.6	-73.7	172.1	10.3	0	0	112.6	Q329 K330 Q331 K337 I738	Q329-Q333 VanDerWaalsContact O-CG 3.32Å; Q329-Q333 WeakPolarHBondContact O-CG 3.34Å; Q329-Q333 PolarHBondContact O-N 3.32Å; K330-Q333 PolarHBondContact O-N 3.02Å; Q331-Q333 PolarHBondContact O-N 2.87Å; Q331-Q333 VanDerWaalsContact O-N 3.1Å; Q333-K337 PolarHBondContact O-N 3.49Å; Q333-I738 HydrophobicContact CB-CD1 4.34Å; Q333-I738 HydrophobicContact CB-CG2 4.48Å
334	L	88.3	Confident	85.7	Confident	30 Å²	30	75.4 Å²	75.4	16%	0.157	36%	0.359	C	S	.	.	H	α-helix	trans	-64.4	-42	176.3	-171.3	67.3	0	0	0	111.4	K330 Q331 K337 H338 K735 I738 I742	K330-L334 PolarHBondContact O-N 2.89Å; Q331-L334 WeakPolarHBondContact O-CA 3.22Å; Q331-L334 WeakPolarHBondContact O-CB 3.39Å; Q331-L334 PolarHBondContact O-N 3.25Å; L334-K337 CarbonylContact O-C 3.6Å; L334-K337 PolarHBondContact O-N 3.49Å; L334-H338 PolarHBondContact O-N 2.85Å; L334-K735 HydrophobicContact CD1-CB 3.82Å; L334-K735 HydrophobicContact CD1-CG 4.01Å; L334-K735 WeakPolarHBondContact CD1-O 3.47Å; L334-I738 HydrophobicContact CB-CG2 3.86Å; L334-I738 HydrophobicContact CD1-CB 4.24Å; L334-I738 HydrophobicContact CD1-CG2 4.18Å; L334-I742 HydrophobicContact CB-CD1 4.21Å; L334-I742 HydrophobicContact CD2-CD1 3.94Å
335	D	84.3	Confident	85.5	Confident	72 Å²	72	77.1 Å²	77.1	39%	0.385	36%	0.36	S	S	.	.	H	α-helix	trans	-68.4	-36.5	-178	-62.1	-16.4	0	0	0	111.7	Q331 H338 K339	Q331-D335 PolarHBondContact NE2-OD1 3.07Å; Q331-D335 VanDerWaalsContact O-CG 3.28Å; Q331-D335 PolarHBondContact O-N 3.34Å; D335-H338 WeakPolarHBondContact O-CB 3.49Å; D335-H338 PolarHBondContact O-N 3.24Å; D335-K339 PolarHBondContact O-N 2.79Å; D335-K339 VanDerWaalsContact O-N 3.09Å
336	R	85.9	Confident	85.2	Confident	183 Å²	183	79.2 Å²	79.2	69%	0.691	37%	0.365	S	S	*	.	H	α-helix	trans	-60.8	-47	170.4	-70.8	169	-161.4	-148.3	2.1	111.5	D332 H338 K339 E340	D332-R336 WeakPolarHBondContact O-CD 3.3Å; D332-R336 VanDerWaalsContact O-CG 3.22Å; D332-R336 WeakPolarHBondContact O-CG 3.46Å; D332-R336 PolarHBondContact O-NE 3.14Å; R336-H338 PolarHBondContact O-N 2.98Å; R336-K339 PolarHBondContact O-N 3.43Å; R336-E340 PolarHBondContact O-N 2.87Å; R336-E340 VanDerWaalsContact O-N 3.13Å
337	K	87.3	Confident	84.8	Confident	51 Å²	51	79.9 Å²	79.9	22%	0.222	37%	0.373	C	S	.	.	H	α-helix	trans	-71	-14.7	175.2	-70.2	-50.1	-160.6	178.2	0	113.6	Q333 L334 E340 V731 K735 I738	Q333-K337 PolarHBondContact O-N 3.49Å; L334-K337 CarbonylContact O-C 3.6Å; L334-K337 PolarHBondContact O-N 3.49Å; K337-E340 WeakPolarHBondContact CD-OE2 3.5Å; K337-E340 WeakPolarHBondContact CE-OE2 3.35Å; K337-E340 IonicContact NZ-OE1 3.64Å; K337-E340 PolarHBondContact NZ-OE1 3.47Å; K337-E340 IonicContact NZ-OE2 2.72Å; K337-E340 PolarHBondContact NZ-OE2 3.48Å; K337-V731 HydrophobicContact CB-CG1 4.1Å; K337-V731 HydrophobicContact CD-CG1 4.05Å; K337-V731 HydrophobicContact CG-CG1 4.5Å; K337-K735 HydrophobicContact CB-CD 4.38Å; K337-K735 HydrophobicContact CB-CG 3.78Å; K337-I738 HydrophobicContact CG-CD1 4.3Å
338	H	84.4	Confident	84.6	Confident	87 Å²	87	80.6 Å²	80.6	40%	0.403	38%	0.376	S	S	.	.	H	α-helix	trans	-72.5	-51.3	167.5	-159.3	-36.3	0	0	0	110.8	L334 D335 R336 E340 I341 D342	L334-H338 PolarHBondContact O-N 2.85Å; D335-H338 WeakPolarHBondContact O-CB 3.49Å; D335-H338 PolarHBondContact O-N 3.24Å; R336-H338 PolarHBondContact O-N 2.98Å; H338-E340 VanDerWaalsContact C-N 3.31Å; H338-E340 PolarHBondContact O-N 3.37Å; H338-I341 PolarHBondContact O-N 2.83Å; H338-I341 VanDerWaalsContact O-N 3.09Å; H338-D342 IonicContact CE1-OD2 2.68Å; H338-D342 PolarHBondContact CE1-OD2 3.32Å; H338-D342 IonicContact CG-OD2 3.91Å; H338-D342 IonicContact ND1-OD2 3.93Å; H338-D342 PolarHBondContact ND1-OD2 3.43Å; H338-D342 PolarHBondContact O-N 2.69Å; H338-D342 VanDerWaalsContact O-OD2 3.13Å
339	K	83	Confident	84.2	Confident	147 Å²	147	82.5 Å²	82.5	64%	0.639	38%	0.379	S	S	*	.	H	α-helix	trans	-55.6	-45.5	177.7	-68.2	-175.8	177.1	-170.8	0	112	D335 R336 I341 D342 D343	D335-K339 PolarHBondContact O-N 2.79Å; D335-K339 VanDerWaalsContact O-N 3.09Å; R336-K339 PolarHBondContact O-N 3.43Å; K339-I341 PolarHBondContact O-N 3.06Å; K339-I341 VanDerWaalsContact O-N 3.15Å; K339-D342 CarbonylContact O-C 3.53Å; K339-D342 WeakPolarHBondContact O-CA 3.39Å; K339-D342 PolarHBondContact O-N 3.04Å; K339-D343 VanDerWaalsContact O-CG 3.24Å; K339-D343 PolarHBondContact O-N 3.07Å
340	E	87	Confident	83.8	Confident	68 Å²	68	81.4 Å²	81.4	32%	0.318	38%	0.376	S	S	.	.	H	α-helix	trans	-54	-36.5	177.2	-169.9	174.8	125.5	0	0	113.4	R336 K337 H338 I344 V731	R336-E340 PolarHBondContact O-N 2.87Å; R336-E340 VanDerWaalsContact O-N 3.13Å; K337-E340 WeakPolarHBondContact CD-OE2 3.5Å; K337-E340 WeakPolarHBondContact CE-OE2 3.35Å; K337-E340 IonicContact NZ-OE1 3.64Å; K337-E340 PolarHBondContact NZ-OE1 3.47Å; K337-E340 IonicContact NZ-OE2 2.72Å; K337-E340 PolarHBondContact NZ-OE2 3.48Å; H338-E340 VanDerWaalsContact C-N 3.31Å; H338-E340 PolarHBondContact O-N 3.37Å; E340-I344 HydrophobicContact CG-CD1 4.48Å; E340-I344 WeakPolarHBondContact O-CB 3.23Å; E340-I344 VanDerWaalsContact O-CD1 3.26Å; E340-I344 WeakPolarHBondContact O-CD1 3.43Å; E340-I344 WeakPolarHBondContact O-CG1 3.26Å; E340-I344 PolarHBondContact O-N 3.13Å; E340-V731 HydrophobicContact CG-CG2 4.44Å; E340-V731 VanDerWaalsContact OE1-CG2 3.3Å; E340-V731 WeakPolarHBondContact OE1-CG2 3.03Å
341	I	84.9	Confident	83.4	Confident	5 Å²	5	81.8 Å²	81.8	3%	0.026	38%	0.378	C	S	.	.	H	α-helix	trans	-71.8	-36.9	174.4	-71.7	-179.7	0	0	0	111.6	H338 K339 I344 K345 I728 V731 N732 K735	H338-I341 PolarHBondContact O-N 2.83Å; H338-I341 VanDerWaalsContact O-N 3.09Å; K339-I341 PolarHBondContact O-N 3.06Å; K339-I341 VanDerWaalsContact O-N 3.15Å; I341-I344 PolarHBondContact O-N 2.98Å; I341-K345 HydrophobicContact CG2-CD 4.29Å; I341-K345 VanDerWaalsContact CG2-CE 3.45Å; I341-K345 VanDerWaalsContact O-CG 3.31Å; I341-K345 WeakPolarHBondContact O-CG 3.33Å; I341-K345 PolarHBondContact O-N 2.78Å; I341-I728 HydrophobicContact CG2-CG2 4.43Å; I341-V731 HydrophobicContact CD1-CB 4.06Å; I341-V731 HydrophobicContact CD1-CG1 3.86Å; I341-V731 HydrophobicContact CG1-CB 3.79Å; I341-V731 HydrophobicContact CG1-CG1 3.58Å; I341-N732 WeakPolarHBondContact CD1-OD1 3.18Å; I341-K735 HydrophobicContact CD1-CD 3.55Å
342	D	82.7	Confident	82.9	Confident	58 Å²	58	81.6 Å²	81.6	31%	0.31	38%	0.377	S	S	.	.	H	α-helix	trans	-78.1	-32.7	-177.2	-58.4	-42.6	0	0	0	111.7	H338 K339 K345 Q346	H338-D342 IonicContact CE1-OD2 2.68Å; H338-D342 PolarHBondContact CE1-OD2 3.32Å; H338-D342 IonicContact CG-OD2 3.91Å; H338-D342 IonicContact ND1-OD2 3.93Å; H338-D342 PolarHBondContact ND1-OD2 3.43Å; H338-D342 PolarHBondContact O-N 2.69Å; H338-D342 VanDerWaalsContact O-OD2 3.13Å; K339-D342 CarbonylContact O-C 3.53Å; K339-D342 WeakPolarHBondContact O-CA 3.39Å; K339-D342 PolarHBondContact O-N 3.04Å; D342-K345 PolarHBondContact O-N 3.49Å; D342-K345 IonicContact OD1-NZ 2.85Å; D342-K345 PolarHBondContact OD1-NZ 3.28Å; D342-Q346 VanDerWaalsContact O-CB 3.31Å; D342-Q346 WeakPolarHBondContact O-CB 3.19Å; D342-Q346 PolarHBondContact O-N 2.65Å
343	D	82.8	Confident	82.3	Confident	89 Å²	89	82.4 Å²	82.4	48%	0.476	38%	0.384	S	S	.	.	H	α-helix	trans	-59.8	-44.4	166.8	-60.9	-38	0	0	0	110.9	K339 Q346 N347	K339-D343 VanDerWaalsContact O-CG 3.24Å; K339-D343 PolarHBondContact O-N 3.07Å; D343-Q346 PolarHBondContact O-N 2.9Å; D343-N347 PolarHBondContact O-N 3.49Å; D343-N347 PolarHBondContact O-ND2 3.33Å
344	I	84.9	Confident	81.7	Confident	38 Å²	38	82.6 Å²	82.6	20%	0.195	39%	0.385	C	S	.	.	H	α-helix	trans	-63.5	-44.3	175.9	-71.5	165.8	0	0	0	111	E340 I341 N347 L348 T724 K727 I728 V731	E340-I344 HydrophobicContact CG-CD1 4.48Å; E340-I344 WeakPolarHBondContact O-CB 3.23Å; E340-I344 VanDerWaalsContact O-CD1 3.26Å; E340-I344 WeakPolarHBondContact O-CD1 3.43Å; E340-I344 WeakPolarHBondContact O-CG1 3.26Å; E340-I344 PolarHBondContact O-N 3.13Å; I341-I344 PolarHBondContact O-N 2.98Å; I344-N347 PolarHBondContact O-N 2.68Å; I344-L348 PolarHBondContact O-N 2.88Å; I344-T724 HydrophobicContact CG2-CG2 3.66Å; I344-K727 HydrophobicContact CD1-CB 4.42Å; I344-I728 HydrophobicContact CG2-CD1 4.09Å; I344-I728 HydrophobicContact CG2-CG1 3.74Å; I344-V731 HydrophobicContact CD1-CG2 4.47Å
345	K	80.3	Confident	80.9	Confident	84 Å²	84	82 Å²	82	37%	0.365	38%	0.382	S	S	.	.	H	α-helix	trans	-64.1	-37.6	174.3	-70.6	169.2	-168.3	156.5	0	112.6	I341 D342 L348 R349 I728	I341-K345 HydrophobicContact CG2-CD 4.29Å; I341-K345 VanDerWaalsContact CG2-CE 3.45Å; I341-K345 VanDerWaalsContact O-CG 3.31Å; I341-K345 WeakPolarHBondContact O-CG 3.33Å; I341-K345 PolarHBondContact O-N 2.78Å; D342-K345 PolarHBondContact O-N 3.49Å; D342-K345 IonicContact OD1-NZ 2.85Å; D342-K345 PolarHBondContact OD1-NZ 3.28Å; K345-L348 PolarHBondContact O-N 2.93Å; K345-R349 WeakPolarHBondContact O-CG 3.49Å; K345-R349 PolarHBondContact O-N 2.67Å; K345-I728 HydrophobicContact CG-CD1 4.06Å
346	Q	81.1	Confident	80.4	Confident	118 Å²	118	83.2 Å²	83.2	55%	0.551	39%	0.388	S	S	*	.	H	α-helix	trans	-65	-42.7	179.1	179.9	169.6	-21.7	0	0	110.6	D342 D343 L348 R349 L350	D342-Q346 VanDerWaalsContact O-CB 3.31Å; D342-Q346 WeakPolarHBondContact O-CB 3.19Å; D342-Q346 PolarHBondContact O-N 2.65Å; D343-Q346 PolarHBondContact O-N 2.9Å; Q346-L348 PolarHBondContact O-N 3.16Å; Q346-R349 PolarHBondContact O-N 2.85Å; Q346-L350 HydrophobicContact CG-CD1 4.25Å; Q346-L350 VanDerWaalsContact O-CG 3.31Å; Q346-L350 WeakPolarHBondContact O-CG 3.32Å; Q346-L350 PolarHBondContact O-N 3.41Å
347	N	80.1	Confident	79.9	Confident	103 Å²	103	77.2 Å²	77.2	55%	0.551	37%	0.37	S	S	*	.	H	α-helix	trans	-61.2	-41.4	174.3	-76	-60.7	0	0	0	112.7	D343 I344 L350 K351	D343-N347 PolarHBondContact O-N 3.49Å; D343-N347 PolarHBondContact O-ND2 3.33Å; I344-N347 PolarHBondContact O-N 2.68Å; N347-L350 PolarHBondContact O-N 2.83Å; N347-K351 PolarHBondContact O-N 3.19Å; N347-K351 VanDerWaalsContact O-N 3.11Å
348	L	80.6	Confident	79.2	Confident	26 Å²	26	76.5 Å²	76.5	14%	0.136	37%	0.367	C	S	.	.	H	α-helix	trans	-64.3	-44.1	173.6	178.6	64.5	0	0	0	112.2	I344 K345 Q346 L350 K351 Q352 V720 E721 T724	I344-L348 PolarHBondContact O-N 2.88Å; K345-L348 PolarHBondContact O-N 2.93Å; Q346-L348 PolarHBondContact O-N 3.16Å; L348-L350 VanDerWaalsContact C-N 3.31Å; L348-L350 PolarHBondContact O-N 3.35Å; L348-K351 PolarHBondContact O-N 2.97Å; L348-Q352 HydrophobicContact CD1-CG 4.33Å; L348-Q352 HydrophobicContact CG-CG 4.43Å; L348-Q352 WeakPolarHBondContact O-CG 3.49Å; L348-Q352 PolarHBondContact O-N 2.69Å; L348-V720 HydrophobicContact CD1-CG1 4.04Å; L348-E721 HydrophobicContact CD1-CG 3.89Å; L348-E721 HydrophobicContact CD2-CG 4.23Å; L348-T724 HydrophobicContact CB-CG2 4.07Å; L348-T724 HydrophobicContact CD2-CG2 3.92Å; L348-T724 HydrophobicContact CG-CG2 4.48Å
349	R	78.8	Confident	78.6	Confident	176 Å²	176	76.5 Å²	76.5	66%	0.664	37%	0.367	S	S	*	.	H	α-helix	trans	-61.6	-37.2	176.1	-77.9	178.7	172.7	-174.5	-3.1	112.6	K345 Q346 T353	K345-R349 WeakPolarHBondContact O-CG 3.49Å; K345-R349 PolarHBondContact O-N 2.67Å; Q346-R349 PolarHBondContact O-N 2.85Å; R349-T353 VanDerWaalsContact O-CB 3.27Å; R349-T353 WeakPolarHBondContact O-CB 3.5Å; R349-T353 PolarHBondContact O-N 3.44Å; R349-T353 PolarHBondContact O-OG1 2.85Å
350	L	79	Confident	78.2	Confident	86 Å²	86	73.7 Å²	73.7	45%	0.45	36%	0.355	S	S	.	.	H	α-helix	trans	-62.7	-47.4	174.1	-73.3	168	0	0	0	110.4	Q346 N347 L348 T353 E354	Q346-L350 HydrophobicContact CG-CD1 4.25Å; Q346-L350 VanDerWaalsContact O-CG 3.31Å; Q346-L350 WeakPolarHBondContact O-CG 3.32Å; Q346-L350 PolarHBondContact O-N 3.41Å; N347-L350 PolarHBondContact O-N 2.83Å; L348-L350 VanDerWaalsContact C-N 3.31Å; L348-L350 PolarHBondContact O-N 3.35Å; L350-T353 PolarHBondContact O-N 3.32Å; L350-E354 WeakPolarHBondContact O-CG 3.41Å; L350-E354 PolarHBondContact O-N 3.44Å
351	K	77.6	Confident	77.5	Confident	82 Å²	82	76.9 Å²	76.9	36%	0.357	36%	0.364	S	S	.	.	H	α-helix	trans	-65.6	-39.3	177.7	-68.4	-69.6	157.8	-142.7	0	113.9	N347 L348 E354 E355	N347-K351 PolarHBondContact O-N 3.19Å; N347-K351 VanDerWaalsContact O-N 3.11Å; L348-K351 PolarHBondContact O-N 2.97Å; K351-E354 WeakPolarHBondContact CD-OE2 3.38Å; K351-E354 IonicContact NZ-OE1 3.33Å; K351-E354 PolarHBondContact NZ-OE1 2.85Å; K351-E354 IonicContact NZ-OE2 2.78Å; K351-E354 PolarHBondContact NZ-OE2 3.04Å; K351-E355 PolarHBondContact O-N 2.91Å
352	Q	74.9	Confident	77.1	Confident	67 Å²	67	77 Å²	77	31%	0.313	37%	0.365	S	S	.	.	H	α-helix	trans	-61	-45.9	170.8	-74.3	172.3	-29.2	0	0	110.7	L348 E355 D356 L717 E721	L348-Q352 HydrophobicContact CD1-CG 4.33Å; L348-Q352 HydrophobicContact CG-CG 4.43Å; L348-Q352 WeakPolarHBondContact O-CG 3.49Å; L348-Q352 PolarHBondContact O-N 2.69Å; Q352-E355 PolarHBondContact O-N 3.14Å; Q352-D356 VanDerWaalsContact O-CB 3.23Å; Q352-D356 WeakPolarHBondContact O-CB 3.14Å; Q352-D356 PolarHBondContact O-N 3.32Å; Q352-L717 HydrophobicContact CG-CD2 4.28Å; Q352-E721 PolarHBondContact NE2-OE1 3.47Å
353	T	73	Confident	76.8	Confident	79 Å²	79	77.8 Å²	77.8	49%	0.485	37%	0.369	S	S	.	.	H	α-helix	trans	-66	-39	-179.5	-54.1	0	0	0	0	112.2	R349 L350 D356 D357	R349-T353 VanDerWaalsContact O-CB 3.27Å; R349-T353 WeakPolarHBondContact O-CB 3.5Å; R349-T353 PolarHBondContact O-N 3.44Å; R349-T353 PolarHBondContact O-OG1 2.85Å; L350-T353 PolarHBondContact O-N 3.32Å; T353-D356 PolarHBondContact O-N 2.85Å; T353-D357 VanDerWaalsContact O-CB 3.31Å; T353-D357 WeakPolarHBondContact O-CB 3.23Å; T353-D357 PolarHBondContact O-N 3.32Å
354	E	74.1	Confident	76.5	Confident	86 Å²	86	78.1 Å²	78.1	40%	0.402	37%	0.371	S	S	.	.	H	α-helix	trans	-57.9	-47.6	176.4	-78.3	171.3	-156.6	0	0	112.2	L350 K351 H358	L350-E354 WeakPolarHBondContact O-CG 3.41Å; L350-E354 PolarHBondContact O-N 3.44Å; K351-E354 WeakPolarHBondContact CD-OE2 3.38Å; K351-E354 IonicContact NZ-OE1 3.33Å; K351-E354 PolarHBondContact NZ-OE1 2.85Å; K351-E354 IonicContact NZ-OE2 2.78Å; K351-E354 PolarHBondContact NZ-OE2 3.04Å; E354-H358 WeakPolarHBondContact O-CB 3.41Å; E354-H358 PolarHBondContact O-N 3.2Å
355	E	73	Confident	76	Confident	18 Å²	18	77.1 Å²	77.1	8%	0.084	37%	0.366	C	S	.	.	H	α-helix	trans	-73.9	-38	178.9	-168.5	64.3	-121.3	0	0	111.8	K351 Q352 D357 H358 Q359 I715 L717	K351-E355 PolarHBondContact O-N 2.91Å; Q352-E355 PolarHBondContact O-N 3.14Å; E355-D357 VanDerWaalsContact C-N 3.28Å; E355-D357 PolarHBondContact O-N 3.24Å; E355-H358 WeakPolarHBondContact O-CB 3.37Å; E355-H358 PolarHBondContact O-N 2.85Å; E355-H358 VanDerWaalsContact O-N 3.08Å; E355-H358 IonicContact OE1-CG 3.8Å; E355-H358 IonicContact OE1-ND1 2.75Å; E355-H358 PolarHBondContact OE1-ND1 2.89Å; E355-H358 VanDerWaalsContact OE1-ND1 3.16Å; E355-Q359 PolarHBondContact O-N 3.07Å; E355-I715 VanDerWaalsContact OE2-CB 3.24Å; E355-I715 WeakPolarHBondContact OE2-CB 3.18Å; E355-I715 WeakPolarHBondContact OE2-CG1 3.2Å; E355-I715 PolarHBondContact OE2-N 3.02Å; E355-L717 HydrophobicContact CB-CD1 4.06Å; E355-L717 HydrophobicContact CB-CD2 4.36Å; E355-L717 HydrophobicContact CB-CG 4.36Å; E355-L717 HydrophobicContact CG-CD1 3.98Å; E355-L717 HydrophobicContact CG-CG 4.38Å
356	D	73.1	Confident	75.8	Confident	96 Å²	96	78.9 Å²	78.9	51%	0.513	37%	0.371	S	S	.	.	H	α-helix	trans	-63.1	-37	176.3	-154	48.9	0	0	0	111	Q352 T353 K360	Q352-D356 VanDerWaalsContact O-CB 3.23Å; Q352-D356 WeakPolarHBondContact O-CB 3.14Å; Q352-D356 PolarHBondContact O-N 3.32Å; T353-D356 PolarHBondContact O-N 2.85Å; D356-K360 VanDerWaalsContact O-CD 3.23Å; D356-K360 WeakPolarHBondContact O-CD 3.44Å; D356-K360 WeakPolarHBondContact O-CE 3.4Å; D356-K360 WeakPolarHBondContact O-CG 3.38Å; D356-K360 PolarHBondContact O-N 3.47Å; D356-K360 VanDerWaalsContact O-N 3.14Å; D356-K360 WeakPolarHBondContact OD2-CE 3.39Å; D356-K360 IonicContact OD2-NZ 3.12Å; D356-K360 PolarHBondContact OD2-NZ 2.95Å
357	D	74.8	Confident	75.5	Confident	58 Å²	58	81.5 Å²	81.5	31%	0.31	38%	0.376	S	S	.	.	H	α-helix	trans	-69.7	-39.1	169.5	-107.3	34	0	0	0	113.1	T353 E355 K360 R361	T353-D357 VanDerWaalsContact O-CB 3.31Å; T353-D357 WeakPolarHBondContact O-CB 3.23Å; T353-D357 PolarHBondContact O-N 3.32Å; E355-D357 VanDerWaalsContact C-N 3.28Å; E355-D357 PolarHBondContact O-N 3.24Å; D357-K360 PolarHBondContact O-N 3.37Å; D357-K360 IonicContact OD1-NZ 2.65Å; D357-R361 WeakPolarHBondContact O-CB 3.39Å; D357-R361 VanDerWaalsContact O-CD 3.29Å; D357-R361 WeakPolarHBondContact O-CD 3.19Å; D357-R361 WeakPolarHBondContact O-CG 3.41Å; D357-R361 PolarHBondContact O-N 3.46Å; D357-R361 PolarHBondContact O-NE 3.3Å; D357-R361 IonicContact OD2-CZ 3.7Å; D357-R361 IonicContact OD2-NE 2.75Å; D357-R361 IonicContact OD2-NH2 2.78Å; D357-R361 PolarHBondContact OD2-NH2 3.28Å
358	H	73.6	Confident	75.1	Confident	36 Å²	36	79.5 Å²	79.5	17%	0.167	37%	0.367	C	S	.	.	H	α-helix	trans	-59.6	-48.5	176.5	-171.7	-127.8	0	0	0	110.8	E354 E355 K360 R361 I362 M710 N713	E354-H358 WeakPolarHBondContact O-CB 3.41Å; E354-H358 PolarHBondContact O-N 3.2Å; E355-H358 WeakPolarHBondContact O-CB 3.37Å; E355-H358 PolarHBondContact O-N 2.85Å; E355-H358 VanDerWaalsContact O-N 3.08Å; E355-H358 IonicContact OE1-CG 3.8Å; E355-H358 IonicContact OE1-ND1 2.75Å; E355-H358 PolarHBondContact OE1-ND1 2.89Å; E355-H358 VanDerWaalsContact OE1-ND1 3.16Å; H358-K360 PolarHBondContact O-N 3.41Å; H358-R361 WeakPolarHBondContact O-CB 3.38Å; H358-R361 PolarHBondContact O-N 3.4Å; H358-R361 VanDerWaalsContact O-N 3.16Å; H358-I362 WeakPolarHBondContact O-CG1 3.48Å; H358-I362 PolarHBondContact O-N 2.87Å; H358-M710 PolarHBondContact CE1-O 2.71Å; H358-M710 VanDerWaalsContact CE1-O 3.26Å; H358-M710 PolarHBondContact NE2-O 3.02Å; H358-N713 PolarHBondContact CE1-O 3.15Å
359	Q	70.8	Confident	74.9	Confident	86 Å²	86	78.8 Å²	78.8	40%	0.402	36%	0.364	S	S	.	.	H	α-helix	trans	-64.5	-37.5	176.8	-167.9	60.1	55.2	0	0	112.7	E355 I362 N363	E355-Q359 PolarHBondContact O-N 3.07Å; Q359-I362 PolarHBondContact O-N 3.26Å; Q359-N363 PolarHBondContact NE2-OD1 3.21Å; Q359-N363 WeakPolarHBondContact O-CB 3.4Å; Q359-N363 PolarHBondContact O-N 2.92Å
360	K	75.1	Confident	74.7	Confident	88 Å²	88	77.3 Å²	77.3	38%	0.383	36%	0.364	S	S	.	.	H	α-helix	trans	-63.7	-40.5	172.2	-71.9	161.2	-152.6	155.6	0	112	D356 D357 H358 N363 N364	D356-K360 VanDerWaalsContact O-CD 3.23Å; D356-K360 WeakPolarHBondContact O-CD 3.44Å; D356-K360 WeakPolarHBondContact O-CE 3.4Å; D356-K360 WeakPolarHBondContact O-CG 3.38Å; D356-K360 PolarHBondContact O-N 3.47Å; D356-K360 VanDerWaalsContact O-N 3.14Å; D356-K360 WeakPolarHBondContact OD2-CE 3.39Å; D356-K360 IonicContact OD2-NZ 3.12Å; D356-K360 PolarHBondContact OD2-NZ 2.95Å; D357-K360 PolarHBondContact O-N 3.37Å; D357-K360 IonicContact OD1-NZ 2.65Å; H358-K360 PolarHBondContact O-N 3.41Å; K360-N363 PolarHBondContact O-N 2.64Å; K360-N364 VanDerWaalsContact O-CB 3.3Å; K360-N364 WeakPolarHBondContact O-CB 3.34Å; K360-N364 VanDerWaalsContact O-CG 3.3Å; K360-N364 PolarHBondContact O-N 2.92Å
361	R	73.2	Confident	74.5	Confident	136 Å²	136	78 Å²	78	51%	0.513	37%	0.369	S	S	.	.	H	α-helix	trans	-65.1	-41.5	177.6	-68.5	158.9	-160.4	-174	6.5	111.5	D357 H358 T365	D357-R361 WeakPolarHBondContact O-CB 3.39Å; D357-R361 VanDerWaalsContact O-CD 3.29Å; D357-R361 WeakPolarHBondContact O-CD 3.19Å; D357-R361 WeakPolarHBondContact O-CG 3.41Å; D357-R361 PolarHBondContact O-N 3.46Å; D357-R361 PolarHBondContact O-NE 3.3Å; D357-R361 IonicContact OD2-CZ 3.7Å; D357-R361 IonicContact OD2-NE 2.75Å; D357-R361 IonicContact OD2-NH2 2.78Å; D357-R361 PolarHBondContact OD2-NH2 3.28Å; H358-R361 WeakPolarHBondContact O-CB 3.38Å; H358-R361 PolarHBondContact O-N 3.4Å; H358-R361 VanDerWaalsContact O-N 3.16Å; R361-T365 VanDerWaalsContact O-CB 3.23Å; R361-T365 WeakPolarHBondContact O-CB 3.39Å; R361-T365 PolarHBondContact O-N 3.11Å; R361-T365 PolarHBondContact O-OG1 3.04Å
362	I	76.4	Confident	74.3	Confident	8 Å²	8	75.3 Å²	75.3	4%	0.041	36%	0.358	C	S	.	.	H	α-helix	trans	-60.5	-53.1	173	-70.4	169.1	0	0	0	110.6	H358 Q359 N364 T365 R366 L707 M710 E711	H358-I362 WeakPolarHBondContact O-CG1 3.48Å; H358-I362 PolarHBondContact O-N 2.87Å; Q359-I362 PolarHBondContact O-N 3.26Å; I362-N364 PolarHBondContact O-N 3.35Å; I362-T365 PolarHBondContact O-N 2.73Å; I362-R366 WeakPolarHBondContact O-CG 3.41Å; I362-R366 PolarHBondContact O-N 2.92Å; I362-L707 HydrophobicContact CG2-CD1 4.05Å; I362-M710 HydrophobicContact CD1-CB 4.11Å; I362-M710 HydrophobicContact CG1-CB 3.78Å; I362-M710 HydrophobicContact CG1-SD 4.47Å; I362-E711 HydrophobicContact CG2-CG 4.45Å
363	N	75.8	Confident	74.2	Confident	73 Å²	73	76.8 Å²	76.8	39%	0.39	36%	0.363	S	S	.	.	H	α-helix	trans	-64.3	-41	-177.4	-74.1	-15.9	0	0	0	113.2	Q359 K360 R366 R367	Q359-N363 PolarHBondContact NE2-OD1 3.21Å; Q359-N363 WeakPolarHBondContact O-CB 3.4Å; Q359-N363 PolarHBondContact O-N 2.92Å; K360-N363 PolarHBondContact O-N 2.64Å; N363-R366 PolarHBondContact O-N 2.88Å; N363-R367 PolarHBondContact O-N 3.45Å
364	N	75.9	Confident	74.2	Confident	96 Å²	96	76 Å²	76	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-67.3	-39.6	175.5	-74	-12.7	0	0	0	111.7	K360 I362 R366 R367 T368	K360-N364 VanDerWaalsContact O-CB 3.3Å; K360-N364 WeakPolarHBondContact O-CB 3.34Å; K360-N364 VanDerWaalsContact O-CG 3.3Å; K360-N364 PolarHBondContact O-N 2.92Å; I362-N364 PolarHBondContact O-N 3.35Å; N364-R366 PolarHBondContact O-N 2.86Å; N364-R367 PolarHBondContact O-N 3.23Å; N364-T368 WeakPolarHBondContact O-CB 3.16Å; N364-T368 PolarHBondContact O-N 2.82Å; N364-T368 PolarHBondContact O-OG1 3.38Å
365	T	74.5	Confident	73.8	Confident	17 Å²	17	76.8 Å²	76.8	10%	0.104	36%	0.364	C	S	.	.	H	α-helix	trans	-63.6	-40.9	176.8	-61	0	0	0	0	111.5	R361 I362 T368 I369 K703 L707	R361-T365 VanDerWaalsContact O-CB 3.23Å; R361-T365 WeakPolarHBondContact O-CB 3.39Å; R361-T365 PolarHBondContact O-N 3.11Å; R361-T365 PolarHBondContact O-OG1 3.04Å; I362-T365 PolarHBondContact O-N 2.73Å; T365-T368 PolarHBondContact O-N 3.43Å; T365-I369 HydrophobicContact CG2-CD1 4.03Å; T365-I369 WeakPolarHBondContact O-CD1 3.31Å; T365-I369 VanDerWaalsContact O-CG1 3.3Å; T365-I369 WeakPolarHBondContact O-CG1 3.5Å; T365-I369 PolarHBondContact O-N 2.85Å; T365-I369 VanDerWaalsContact O-N 3.11Å; T365-K703 HydrophobicContact CG2-CD 4.32Å; T365-L707 HydrophobicContact CG2-CB 4.27Å; T365-L707 HydrophobicContact CG2-CD1 4.32Å
366	R	76.6	Confident	73.6	Confident	122 Å²	122	78.2 Å²	78.2	46%	0.46	37%	0.373	S	S	.	.	H	α-helix	trans	-56.9	-52.5	173.3	-75.5	172	173.7	-166.4	-5.2	111.8	I362 N363 N364 T368 I369 E370 L707 E711	I362-R366 WeakPolarHBondContact O-CG 3.41Å; I362-R366 PolarHBondContact O-N 2.92Å; N363-R366 PolarHBondContact O-N 2.88Å; N364-R366 PolarHBondContact O-N 2.86Å; R366-T368 PolarHBondContact O-N 3.15Å; R366-I369 PolarHBondContact O-N 2.65Å; R366-E370 PolarHBondContact O-N 2.86Å; R366-L707 HydrophobicContact CG-CD1 3.86Å; R366-L707 HydrophobicContact CG-CD2 3.6Å; R366-L707 HydrophobicContact CG-CG 4.39Å; R366-E711 IonicContact CZ-OE1 2.65Å; R366-E711 VanDerWaalsContact CZ-OE1 3.26Å; R366-E711 IonicContact NE-OE1 2.76Å; R366-E711 PolarHBondContact NE-OE1 3.31Å; R366-E711 IonicContact NH2-OE1 2.67Å; R366-E711 PolarHBondContact NH2-OE1 2.82Å; R366-E711 IonicContact NH2-OE2 2.69Å
367	R	74.6	Confident	73.3	Confident	172 Å²	172	77.3 Å²	77.3	65%	0.649	38%	0.378	S	S	*	.	H	α-helix	trans	-59	-47.1	176.7	-73	-178.3	174.8	173.1	-2.2	112.6	N363 N364 I369 E370 D371	N363-R367 PolarHBondContact O-N 3.45Å; N364-R367 PolarHBondContact O-N 3.23Å; R367-I369 PolarHBondContact O-N 2.6Å; R367-E370 WeakPolarHBondContact O-CA 3.45Å; R367-E370 WeakPolarHBondContact O-CB 3.31Å; R367-E370 PolarHBondContact O-N 3.09Å; R367-D371 PolarHBondContact O-N 2.65Å
368	T	72.7	Confident	72.8	Confident	61 Å²	61	82.2 Å²	82.2	37%	0.374	40%	0.397	S	S	.	.	H	α-helix	trans	-58.1	-34.7	179.3	-58.9	0	0	0	0	112.6	N364 T365 R366 E370 L372	N364-T368 WeakPolarHBondContact O-CB 3.16Å; N364-T368 PolarHBondContact O-N 2.82Å; N364-T368 PolarHBondContact O-OG1 3.38Å; T365-T368 PolarHBondContact O-N 3.43Å; R366-T368 PolarHBondContact O-N 3.15Å; T368-E370 VanDerWaalsContact C-N 3.34Å; T368-L372 HydrophobicContact CG2-CD1 3.82Å; T368-L372 HydrophobicContact CG2-CG 4.29Å; T368-L372 VanDerWaalsContact O-CB 3.32Å; T368-L372 WeakPolarHBondContact O-CB 3.27Å; T368-L372 WeakPolarHBondContact O-CD1 3.38Å; T368-L372 WeakPolarHBondContact O-CG 3.29Å; T368-L372 PolarHBondContact O-N 3.37Å; T368-L372 VanDerWaalsContact O-N 3.09Å
369	I	74.9	Confident	72.3	Confident	12 Å²	12	83.1 Å²	83.1	6%	0.062	40%	0.402	C	S	.	.	H	α-helix	trans	-68	-34.4	175.7	-69.3	159.7	0	0	0	111.7	T365 R366 R367 K373 K703 Q704 L707	T365-I369 HydrophobicContact CG2-CD1 4.03Å; T365-I369 WeakPolarHBondContact O-CD1 3.31Å; T365-I369 VanDerWaalsContact O-CG1 3.3Å; T365-I369 WeakPolarHBondContact O-CG1 3.5Å; T365-I369 PolarHBondContact O-N 2.85Å; T365-I369 VanDerWaalsContact O-N 3.11Å; R366-I369 PolarHBondContact O-N 2.65Å; R367-I369 PolarHBondContact O-N 2.6Å; I369-K373 HydrophobicContact CG2-CD 4.36Å; I369-K373 WeakPolarHBondContact O-CD 3.43Å; I369-K373 VanDerWaalsContact O-CG 3.27Å; I369-K373 WeakPolarHBondContact O-CG 3.38Å; I369-K373 PolarHBondContact O-N 3.29Å; I369-K703 HydrophobicContact CD1-CB 4.05Å; I369-K703 HydrophobicContact CG1-CB 3.68Å; I369-Q704 HydrophobicContact CD1-CG 4.08Å; I369-Q704 HydrophobicContact CG1-CG 4.38Å; I369-Q704 HydrophobicContact CG2-CG 3.75Å; I369-L707 HydrophobicContact CD1-CB 4.42Å; I369-L707 HydrophobicContact CD1-CD2 4.09Å
370	E	75.8	Confident	71.5	Confident	144 Å²	144	82.1 Å²	82.1	67%	0.673	41%	0.405	S	S	*	.	H	α-helix	trans	-75.5	-45.5	179.8	-167.1	159.6	-144.8	0	0	111.3	R366 R367 T368 L372 K373 S374	R366-E370 PolarHBondContact O-N 2.86Å; R367-E370 WeakPolarHBondContact O-CA 3.45Å; R367-E370 WeakPolarHBondContact O-CB 3.31Å; R367-E370 PolarHBondContact O-N 3.09Å; T368-E370 VanDerWaalsContact C-N 3.34Å; E370-L372 PolarHBondContact O-N 3.25Å; E370-K373 PolarHBondContact O-N 3.25Å; E370-S374 PolarHBondContact O-N 3.36Å
371	D	73.8	Confident	70.4	Confident	102 Å²	102	85.4 Å²	85.4	55%	0.545	43%	0.427	S	S	.	.	H	α-helix	trans	-57.6	-49.3	173.7	-64.8	-44.6	0	0	0	111.5	R367 K373 S374 E375	R367-D371 PolarHBondContact O-N 2.65Å; D371-K373 VanDerWaalsContact C-N 3.28Å; D371-K373 PolarHBondContact O-N 3.06Å; D371-S374 WeakPolarHBondContact O-CA 3.47Å; D371-S374 WeakPolarHBondContact O-CB 3.46Å; D371-S374 PolarHBondContact O-N 3.22Å; D371-E375 PolarHBondContact O-N 2.92Å
372	L	74.1	Confident	69.5	Low	25 Å²	25	85.9 Å²	85.9	13%	0.131	44%	0.435	C	S	.	.	H	α-helix	trans	-62.4	-32.4	179.3	-71.9	169.6	0	0	0	112.9	T368 E370 L376 L696 K699 I700	T368-L372 HydrophobicContact CG2-CD1 3.82Å; T368-L372 HydrophobicContact CG2-CG 4.29Å; T368-L372 VanDerWaalsContact O-CB 3.32Å; T368-L372 WeakPolarHBondContact O-CB 3.27Å; T368-L372 WeakPolarHBondContact O-CD1 3.38Å; T368-L372 WeakPolarHBondContact O-CG 3.29Å; T368-L372 PolarHBondContact O-N 3.37Å; T368-L372 VanDerWaalsContact O-N 3.09Å; E370-L372 PolarHBondContact O-N 3.25Å; L372-L376 PolarHBondContact O-N 3.25Å; L372-L696 HydrophobicContact CD2-CD2 3.47Å; L372-L696 VanDerWaalsContact CD2-CD2 3.47Å; L372-K699 HydrophobicContact CD1-CB 4.49Å; L372-I700 HydrophobicContact CB-CD1 4.16Å; L372-I700 HydrophobicContact CB-CG1 3.69Å; L372-I700 HydrophobicContact CD1-CG1 4.48Å
373	K	71.9	Confident	68.8	Low	98 Å²	98	91.1 Å²	91.1	43%	0.426	47%	0.469	S	S	.	.	H	α-helix	trans	-70.2	-37.6	173.5	-75.9	172	-177.7	-179.7	0	111.6	I369 E370 D371 L376 A377 I700	I369-K373 HydrophobicContact CG2-CD 4.36Å; I369-K373 WeakPolarHBondContact O-CD 3.43Å; I369-K373 VanDerWaalsContact O-CG 3.27Å; I369-K373 WeakPolarHBondContact O-CG 3.38Å; I369-K373 PolarHBondContact O-N 3.29Å; E370-K373 PolarHBondContact O-N 3.25Å; D371-K373 VanDerWaalsContact C-N 3.28Å; D371-K373 PolarHBondContact O-N 3.06Å; K373-L376 PolarHBondContact O-N 2.89Å; K373-A377 PolarHBondContact O-N 3.2Å; K373-I700 HydrophobicContact CD-CG2 4.49Å; K373-I700 HydrophobicContact CG-CD1 4.09Å; K373-I700 HydrophobicContact CG-CG1 4.47Å; K373-I700 HydrophobicContact CG-CG2 4.09Å
374	S	73.3	Confident	67.9	Low	62 Å²	62	92.7 Å²	92.7	43%	0.434	48%	0.477	S	S	.	.	H	α-helix	trans	-65.8	-37.7	173.5	-168.3	0	0	0	0	112.5	E370 D371 K378	E370-S374 PolarHBondContact O-N 3.36Å; D371-S374 WeakPolarHBondContact O-CA 3.47Å; D371-S374 WeakPolarHBondContact O-CB 3.46Å; D371-S374 PolarHBondContact O-N 3.22Å; S374-K378 WeakPolarHBondContact O-CG 3.47Å
375	E	66.4	Low	67.4	Low	102 Å²	102	89.2 Å²	89.2	48%	0.477	46%	0.459	S	S	.	.	H	α-helix	trans	-66.3	-43.7	173.4	-70.8	-165.7	144.3	0	0	112.5	D371 A377 K378 L696	D371-E375 PolarHBondContact O-N 2.92Å; E375-A377 VanDerWaalsContact C-N 3.32Å; E375-A377 PolarHBondContact O-N 2.97Å; E375-K378 PolarHBondContact O-N 3.35Å; E375-L696 HydrophobicContact CB-CD1 4.41Å
376	L	68.3	Low	67.1	Low	49 Å²	49	91 Å²	91	26%	0.257	47%	0.471	S	S	.	.	H	α-helix	trans	-59.6	-41.9	-178.5	-173.5	69.6	0	0	0	112.1	L372 K373 K378 I379 L696 E697 I700	L372-L376 PolarHBondContact O-N 3.25Å; K373-L376 PolarHBondContact O-N 2.89Å; L376-K378 PolarHBondContact O-N 2.96Å; L376-I379 PolarHBondContact O-N 2.84Å; L376-L696 HydrophobicContact CD1-CB 3.94Å; L376-L696 HydrophobicContact CD1-CD1 4.5Å; L376-E697 HydrophobicContact CD1-CG 3.77Å; L376-E697 HydrophobicContact CD2-CG 4.18Å; L376-I700 HydrophobicContact CB-CD1 4.33Å; L376-I700 HydrophobicContact CD2-CD1 4.05Å
377	A	66.1	Low	66.9	Low	76 Å²	76	89.6 Å²	89.6	63%	0.628	48%	0.477	S	S	*	.	H	α-helix	trans	-59.7	-32.4	179.7	0	0	0	0	0	113.2	K373 E375 I379	K373-A377 PolarHBondContact O-N 3.2Å; E375-A377 VanDerWaalsContact C-N 3.32Å; E375-A377 PolarHBondContact O-N 2.97Å; A377-I379 VanDerWaalsContact C-N 3.25Å; A377-I379 PolarHBondContact O-N 3.16Å
378	K	64.8	Low	66.6	Low	161 Å²	161	86.7 Å²	86.7	70%	0.7	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-6	-177.5	-64.3	167.6	-171.2	167.3	0	114	S374 E375 L376	S374-K378 WeakPolarHBondContact O-CG 3.47Å; E375-K378 PolarHBondContact O-N 3.35Å; L376-K378 PolarHBondContact O-N 2.96Å
379	I	63.3	Low	66.7	Low	56 Å²	56	85.2 Å²	85.2	29%	0.287	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-1	-170.9	-63.8	169.9	0	0	0	112	L376 A377 D381 R693 L696	L376-I379 PolarHBondContact O-N 2.84Å; A377-I379 VanDerWaalsContact C-N 3.25Å; A377-I379 PolarHBondContact O-N 3.16Å; I379-D381 PolarHBondContact O-N 3.45Å; I379-R693 HydrophobicContact CG2-CB 4.15Å; I379-L696 HydrophobicContact CD1-CD1 3.69Å
380	S	54.3	Low	66.8	Low	65 Å²	65	89.4 Å²	89.4	46%	0.455	48%	0.483	S	S	.	.			trans	-71.8	-29	-169.4	-165.5	0	0	0	0	115.5	Q382	S380-Q382 PolarHBondContact O-N 2.97Å
381	D	52.5	Low	67	Low	157 Å²	157	85.4 Å²	85.4	84%	0.84	48%	0.475	S	S	*	.	S	Bend	trans	-97.5	29.7	-158.1	-76.6	-6.4	0	0	0	116.4	I379	I379-D381 PolarHBondContact O-N 3.45Å
382	Q	53.3	Low	67.3	Low	146 Å²	146	81.5 Å²	81.5	68%	0.682	46%	0.455	S	S	*	.			trans	-125.2	141.1	175.8	-68.4	-164.1	-9.9	0	0	114.4	S380	S380-Q382 PolarHBondContact O-N 2.97Å
383	P	61.3	Low	67.7	Low	117 Å²	117	82.7 Å²	82.7	76%	0.76	46%	0.461	S	S	*	.			trans	-75.4	172.3	-177.3	32	-36.7	0	0	0	113.7	V385	P383-V385 PolarHBondContact O-N 3.45Å
384	D	58.3	Low	68.2	Low	106 Å²	106	84.5 Å²	84.5	57%	0.567	47%	0.473	S	S	*	.			trans	-66	122.3	-171.4	-173.4	26.5	0	0	0	114	T386 P387 K690	D384-T386 VanDerWaalsContact C-N 3.28Å; D384-T386 PolarHBondContact O-N 2.76Å; D384-T386 PolarHBondContact OD1-N 3.34Å; D384-T386 PolarHBondContact OD1-OG1 2.89Å; D384-T386 WeakPolarHBondContact OD2-CB 3.36Å; D384-T386 PolarHBondContact OD2-OG1 3.38Å; D384-P387 WeakPolarHBondContact O-CD 3.41Å; D384-K690 IonicContact OD1-NZ 3.01Å; D384-K690 PolarHBondContact OD1-NZ 2.87Å; D384-K690 IonicContact OD2-NZ 3.29Å
385	V	65.1	Low	68.6	Low	23 Å²	23	85.2 Å²	85.2	14%	0.139	47%	0.469	C	S	.	.			trans	-78.5	-7.3	-173.5	-149.5	0	0	0	0	113.3	P383 P387 Q388 L686	P383-V385 PolarHBondContact O-N 3.45Å; V385-P387 VanDerWaalsContact C-CD 3.47Å; V385-Q388 PolarHBondContact O-N 2.65Å; V385-L686 HydrophobicContact CG1-CB 3.72Å; V385-L686 HydrophobicContact CG1-CD1 4.29Å; V385-L686 HydrophobicContact CG1-CD2 3.44Å; V385-L686 VanDerWaalsContact CG1-CD2 3.44Å; V385-L686 HydrophobicContact CG1-CG 3.97Å
386	T	67.5	Low	69.4	Low	56 Å²	56	80.8 Å²	80.8	34%	0.344	45%	0.449	S	S	.	.	H	α-helix	trans	-53.3	-42.2	-172.8	-52.4	0	0	0	0	115.2	D384 Q388 K690	D384-T386 VanDerWaalsContact C-N 3.28Å; D384-T386 PolarHBondContact O-N 2.76Å; D384-T386 PolarHBondContact OD1-N 3.34Å; D384-T386 PolarHBondContact OD1-OG1 2.89Å; D384-T386 WeakPolarHBondContact OD2-CB 3.36Å; D384-T386 PolarHBondContact OD2-OG1 3.38Å; T386-Q388 PolarHBondContact O-N 2.67Å; T386-K690 PolarHBondContact OG1-NZ 3.46Å
387	P	71.9	Confident	70.1	Confident	92 Å²	92	87.6 Å²	87.6	60%	0.597	47%	0.471	S	S	*	.	H	α-helix	trans	-64	-37.8	-178.2	-23.1	35.1	0	0	0	113.5	D384 V385 I389 N390 A391	D384-P387 WeakPolarHBondContact O-CD 3.41Å; V385-P387 VanDerWaalsContact C-CD 3.47Å; P387-I389 VanDerWaalsContact C-N 3.35Å; P387-I389 PolarHBondContact O-N 3.41Å; P387-N390 PolarHBondContact O-N 3.37Å; P387-A391 PolarHBondContact O-N 3.06Å
388	Q	70.1	Confident	71.1	Confident	110 Å²	110	91.8 Å²	91.8	51%	0.514	47%	0.471	S	S	.	.	H	α-helix	trans	-66.5	-37.9	-175.5	-65.6	167.6	-9.4	0	0	111.5	V385 T386 N390 A391 V392 L686	V385-Q388 PolarHBondContact O-N 2.65Å; T386-Q388 PolarHBondContact O-N 2.67Å; Q388-N390 PolarHBondContact O-N 2.8Å; Q388-A391 PolarHBondContact O-N 2.89Å; Q388-V392 PolarHBondContact O-N 2.95Å; Q388-L686 HydrophobicContact CB-CD1 3.85Å
389	I	74.1	Confident	72.1	Confident	31 Å²	31	84.5 Å²	84.5	16%	0.159	44%	0.439	C	S	.	.	H	α-helix	trans	-61.1	-32	177	-64.1	171.9	0	0	0	111.5	P387 N393 L686	P387-I389 VanDerWaalsContact C-N 3.35Å; P387-I389 PolarHBondContact O-N 3.41Å; I389-N393 PolarHBondContact O-N 3.43Å; I389-N393 PolarHBondContact O-ND2 3.41Å; I389-L686 HydrophobicContact CD1-CB 4.16Å; I389-L686 HydrophobicContact CG1-CB 3.84Å; I389-L686 HydrophobicContact CG1-CD1 4.21Å
390	N	77.6	Confident	73	Confident	99 Å²	99	86.7 Å²	86.7	53%	0.529	45%	0.448	S	S	.	.	H	α-helix	trans	-74.5	-38	179.8	-73.4	-19	0	0	0	112.9	P387 Q388 N393	P387-N390 PolarHBondContact O-N 3.37Å; Q388-N390 PolarHBondContact O-N 2.8Å; N390-N393 WeakPolarHBondContact O-CB 3.27Å; N390-N393 PolarHBondContact O-N 3.17Å
391	A	78.9	Confident	74.5	Confident	61 Å²	61	88.4 Å²	88.4	50%	0.504	46%	0.456	S	S	.	.	H	α-helix	trans	-61.5	-46.8	175.5	0	0	0	0	0	111.5	P387 Q388 N393 M394	P387-A391 PolarHBondContact O-N 3.06Å; Q388-A391 PolarHBondContact O-N 2.89Å; A391-N393 PolarHBondContact O-N 3.04Å; A391-M394 WeakPolarHBondContact O-CB 3.47Å; A391-M394 PolarHBondContact O-N 2.92Å
392	V	81.3	Confident	76.1	Confident	20 Å²	20	85.1 Å²	85.1	12%	0.121	44%	0.435	C	S	.	.	H	α-helix	trans	-61.1	-29.8	178.3	178.2	0	0	0	0	112.4	Q388 M394 L396 L679 K683	Q388-V392 PolarHBondContact O-N 2.95Å; V392-M394 PolarHBondContact O-N 3.11Å; V392-L396 HydrophobicContact CG1-CD1 4.1Å; V392-L396 HydrophobicContact CG1-CG 4.49Å; V392-L396 WeakPolarHBondContact O-CD1 3.36Å; V392-L396 VanDerWaalsContact O-CG 3.29Å; V392-L396 WeakPolarHBondContact O-CG 3.31Å; V392-L396 PolarHBondContact O-N 3.02Å; V392-L679 HydrophobicContact CG1-CB 3.98Å; V392-L679 HydrophobicContact CG1-CD2 4.07Å; V392-L679 VanDerWaalsContact CG1-O 3.28Å; V392-L679 WeakPolarHBondContact CG1-O 3.44Å; V392-K683 HydrophobicContact CG1-CB 3.87Å
393	N	80.6	Confident	77.5	Confident	50 Å²	50	81.9 Å²	81.9	27%	0.267	42%	0.417	S	S	.	.	H	α-helix	trans	-69.4	-15.9	174.5	-73.7	-40.2	0	0	0	114.3	I389 N390 A391 K683	I389-N393 PolarHBondContact O-N 3.43Å; I389-N393 PolarHBondContact O-ND2 3.41Å; N390-N393 WeakPolarHBondContact O-CB 3.27Å; N390-N393 PolarHBondContact O-N 3.17Å; A391-N393 PolarHBondContact O-N 3.04Å; N393-K683 WeakPolarHBondContact OD1-CE 3.3Å; N393-K683 PolarHBondContact OD1-NZ 3.14Å
394	M	82.5	Confident	78.6	Confident	136 Å²	136	79.6 Å²	79.6	67%	0.67	41%	0.408	S	S	*	.	H	α-helix	trans	-86.5	-48.5	179.4	-62.6	-174.8	71.1	0	0	111.5	A391 V392 L396 R397 R398	A391-M394 WeakPolarHBondContact O-CB 3.47Å; A391-M394 PolarHBondContact O-N 2.92Å; V392-M394 PolarHBondContact O-N 3.11Å; M394-L396 VanDerWaalsContact C-N 3.33Å; M394-L396 PolarHBondContact O-N 2.87Å; M394-R397 WeakPolarHBondContact O-CB 3.35Å; M394-R397 PolarHBondContact O-N 2.89Å; M394-R397 VanDerWaalsContact O-N 3.09Å; M394-R398 PolarHBondContact O-N 3.18Å
395	E	82.6	Confident	80	Confident	77 Å²	77	80.3 Å²	80.3	36%	0.36	41%	0.406	S	S	.	.	H	α-helix	trans	-64.1	-35.8	176.5	-63.5	-52.2	132.7	0	0	112.5	R397 R398 I399 L679	E395-R397 PolarHBondContact O-N 3.49Å; E395-R398 WeakPolarHBondContact O-CB 3.47Å; E395-R398 PolarHBondContact O-N 3.46Å; E395-R398 VanDerWaalsContact OE2-CD 3.24Å; E395-R398 WeakPolarHBondContact OE2-CD 3.2Å; E395-R398 IonicContact OE2-CZ 3.28Å; E395-R398 IonicContact OE2-NE 3.91Å; E395-R398 IonicContact OE2-NH1 2.68Å; E395-R398 PolarHBondContact OE2-NH1 3.38Å; E395-I399 PolarHBondContact O-N 3.28Å; E395-I399 VanDerWaalsContact O-N 3.08Å; E395-L679 HydrophobicContact CB-CD1 3.83Å
396	L	82.4	Confident	81.1	Confident	9 Å²	9	79.9 Å²	79.9	5%	0.047	40%	0.402	C	S	.	.	H	α-helix	trans	-57	-31.9	173.3	-75.7	172	0	0	0	113.2	V392 M394 Q400 E676 L679 L680 K683	V392-L396 HydrophobicContact CG1-CD1 4.1Å; V392-L396 HydrophobicContact CG1-CG 4.49Å; V392-L396 WeakPolarHBondContact O-CD1 3.36Å; V392-L396 VanDerWaalsContact O-CG 3.29Å; V392-L396 WeakPolarHBondContact O-CG 3.31Å; V392-L396 PolarHBondContact O-N 3.02Å; M394-L396 VanDerWaalsContact C-N 3.33Å; M394-L396 PolarHBondContact O-N 2.87Å; L396-Q400 VanDerWaalsContact O-CG 3.28Å; L396-Q400 WeakPolarHBondContact O-CG 3.47Å; L396-Q400 PolarHBondContact O-N 3.39Å; L396-E676 HydrophobicContact CD2-CG 3.95Å; L396-L679 HydrophobicContact CD2-CB 3.71Å; L396-L679 HydrophobicContact CD2-CD1 4.33Å; L396-L679 HydrophobicContact CG-CB 4.02Å; L396-L679 HydrophobicContact CG-CD1 4.46Å; L396-L680 HydrophobicContact CD1-CD2 3.93Å; L396-L680 HydrophobicContact CD1-CG 4.46Å; L396-L680 HydrophobicContact CD2-CD2 4.24Å; L396-L680 HydrophobicContact CD2-CG 3.97Å; L396-K683 HydrophobicContact CD1-CD 3.89Å
397	R	83.1	Confident	81.9	Confident	192 Å²	192	81.5 Å²	81.5	73%	0.725	41%	0.406	S	S	*	.	H	α-helix	trans	-74.8	-31.3	175.1	-70.7	178.4	174.3	-170.5	-1.3	112.8	M394 E395	M394-R397 WeakPolarHBondContact O-CB 3.35Å; M394-R397 PolarHBondContact O-N 2.89Å; M394-R397 VanDerWaalsContact O-N 3.09Å; E395-R397 PolarHBondContact O-N 3.49Å
398	R	87.8	Confident	82.6	Confident	164 Å²	164	78.6 Å²	78.6	62%	0.619	39%	0.393	S	S	*	.	H	α-helix	trans	-69.1	-46.7	178.7	-178.9	-174.4	171.6	-156.6	-4.8	110.9	M394 E395 Q400 V401 E402	M394-R398 PolarHBondContact O-N 3.18Å; E395-R398 WeakPolarHBondContact O-CB 3.47Å; E395-R398 PolarHBondContact O-N 3.46Å; E395-R398 VanDerWaalsContact OE2-CD 3.24Å; E395-R398 WeakPolarHBondContact OE2-CD 3.2Å; E395-R398 IonicContact OE2-CZ 3.28Å; E395-R398 IonicContact OE2-NE 3.91Å; E395-R398 IonicContact OE2-NH1 2.68Å; E395-R398 PolarHBondContact OE2-NH1 3.38Å; R398-Q400 VanDerWaalsContact C-N 3.27Å; R398-Q400 PolarHBondContact O-N 2.91Å; R398-V401 PolarHBondContact O-N 3.24Å; R398-V401 VanDerWaalsContact O-N 3.1Å; R398-E402 PolarHBondContact O-N 2.87Å
399	I	85.9	Confident	83.5	Confident	7 Å²	7	76.5 Å²	76.5	4%	0.036	38%	0.383	C	S	.	.	H	α-helix	trans	-59.6	-38.8	177.9	-65.7	165.4	0	0	0	111.3	E395 V401 E402 R403 L672 E675 E676 L679	E395-I399 PolarHBondContact O-N 3.28Å; E395-I399 VanDerWaalsContact O-N 3.08Å; I399-V401 PolarHBondContact O-N 2.94Å; I399-E402 PolarHBondContact O-N 3.37Å; I399-R403 VanDerWaalsContact O-CB 3.29Å; I399-R403 WeakPolarHBondContact O-CB 3.47Å; I399-R403 PolarHBondContact O-N 2.89Å; I399-L672 HydrophobicContact CG2-CB 4Å; I399-L672 HydrophobicContact CG2-CD2 4.2Å; I399-E675 HydrophobicContact CD1-CB 3.96Å; I399-E675 HydrophobicContact CD1-CG 3.72Å; I399-E676 HydrophobicContact CG2-CB 4.07Å; I399-L679 HydrophobicContact CD1-CD1 3.57Å
400	Q	81.4	Confident	84.1	Confident	102 Å²	102	77.3 Å²	77.3	48%	0.477	39%	0.385	S	S	.	.	H	α-helix	trans	-63.3	-26.3	178	-73.9	171.6	0.7	0	0	113.9	L396 R398 A404 E676	L396-Q400 VanDerWaalsContact O-CG 3.28Å; L396-Q400 WeakPolarHBondContact O-CG 3.47Å; L396-Q400 PolarHBondContact O-N 3.39Å; R398-Q400 VanDerWaalsContact C-N 3.27Å; R398-Q400 PolarHBondContact O-N 2.91Å; Q400-A404 PolarHBondContact O-N 3.44Å; Q400-E676 PolarHBondContact NE2-OE1 3.28Å
401	V	86.9	Confident	84.4	Confident	101 Å²	101	74.7 Å²	74.7	61%	0.612	38%	0.377	S	S	*	.	H	α-helix	trans	-76.5	-47.9	175.8	176.2	0	0	0	0	111.4	R398 I399 R403 A404 K405	R398-V401 PolarHBondContact O-N 3.24Å; R398-V401 VanDerWaalsContact O-N 3.1Å; I399-V401 PolarHBondContact O-N 2.94Å; V401-R403 VanDerWaalsContact C-N 3.32Å; V401-R403 PolarHBondContact O-N 3.04Å; V401-A404 PolarHBondContact O-N 3.49Å; V401-K405 PolarHBondContact O-N 2.73Å
402	E	85.1	Confident	84.8	Confident	88 Å²	88	76 Å²	76	41%	0.411	38%	0.375	S	S	.	.	H	α-helix	trans	-64.8	-37.7	177.4	-66	-60.6	158.9	0	0	111.8	R398 I399 A404 K405 I406 L672	R398-E402 PolarHBondContact O-N 2.87Å; I399-E402 PolarHBondContact O-N 3.37Å; E402-A404 VanDerWaalsContact C-N 3.33Å; E402-A404 PolarHBondContact O-N 2.95Å; E402-K405 WeakPolarHBondContact O-CB 3.29Å; E402-K405 PolarHBondContact O-N 3.48Å; E402-I406 PolarHBondContact O-N 3.03Å; E402-L672 HydrophobicContact CB-CD1 3.84Å
403	R	84	Confident	85.2	Confident	79 Å²	79	75.7 Å²	75.7	30%	0.298	37%	0.373	S	S	.	.	H	α-helix	trans	-56.4	-45.6	173.2	-174.2	-176.4	-171.8	122.7	26.7	112	I399 V401 K405 I406 E407 D673 E676	I399-R403 VanDerWaalsContact O-CB 3.29Å; I399-R403 WeakPolarHBondContact O-CB 3.47Å; I399-R403 PolarHBondContact O-N 2.89Å; V401-R403 VanDerWaalsContact C-N 3.32Å; V401-R403 PolarHBondContact O-N 3.04Å; R403-K405 VanDerWaalsContact C-N 3.31Å; R403-K405 PolarHBondContact O-N 3.34Å; R403-I406 PolarHBondContact O-N 3.26Å; R403-E407 PolarHBondContact O-N 2.99Å; R403-D673 IonicContact CZ-OD1 2.75Å; R403-D673 IonicContact NH1-OD1 2.67Å; R403-D673 PolarHBondContact NH1-OD1 3.48Å; R403-D673 IonicContact NH2-OD1 3.31Å; R403-D673 PolarHBondContact NH2-OD1 2.95Å; R403-D673 IonicContact NH2-OD2 3.8Å; R403-D673 PolarHBondContact NH2-OD2 3.01Å; R403-E676 IonicContact CZ-OE2 3.43Å; R403-E676 IonicContact NH1-OE2 3.92Å; R403-E676 PolarHBondContact NH1-OE2 3.36Å
404	A	82.5	Confident	85.6	Confident	68 Å²	68	81 Å²	81	56%	0.562	39%	0.389	S	S	*	.	H	α-helix	trans	-64.5	-34.9	-179.6	0	0	0	0	0	112.7	Q400 V401 E402 G408	Q400-A404 PolarHBondContact O-N 3.44Å; V401-A404 PolarHBondContact O-N 3.49Å; E402-A404 VanDerWaalsContact C-N 3.33Å; E402-A404 PolarHBondContact O-N 2.95Å; A404-G408 PolarHBondContact O-N 3.08Å
405	K	88.3	Confident	85.7	Confident	122 Å²	122	81.3 Å²	81.3	53%	0.53	38%	0.383	S	S	.	.	H	α-helix	trans	-66.1	-50.5	174.5	178.5	-170.8	165.2	-157.3	0	111.8	V401 E402 R403 E407 G408 E409	V401-K405 PolarHBondContact O-N 2.73Å; E402-K405 WeakPolarHBondContact O-CB 3.29Å; E402-K405 PolarHBondContact O-N 3.48Å; R403-K405 VanDerWaalsContact C-N 3.31Å; R403-K405 PolarHBondContact O-N 3.34Å; K405-E407 VanDerWaalsContact C-N 3.32Å; K405-E407 PolarHBondContact O-N 3Å; K405-G408 PolarHBondContact O-N 3.44Å; K405-G408 VanDerWaalsContact O-N 3.12Å; K405-E409 WeakPolarHBondContact CE-OE1 3.39Å; K405-E409 PolarHBondContact O-N 3.14Å; K405-E409 VanDerWaalsContact O-N 3.11Å
406	I	88.9	Confident	86	Confident	13 Å²	13	82.4 Å²	82.4	7%	0.067	39%	0.388	C	S	.	.	H	α-helix	trans	-62.1	-39.2	179.9	-70	165.1	0	0	0	111.5	E402 R403 G408 E409 R410 L665 E668 A669 L672	E402-I406 PolarHBondContact O-N 3.03Å; R403-I406 PolarHBondContact O-N 3.26Å; I406-G408 VanDerWaalsContact C-N 3.28Å; I406-G408 PolarHBondContact O-N 3.34Å; I406-E409 PolarHBondContact O-N 2.89Å; I406-R410 HydrophobicContact CG2-CG 4.43Å; I406-R410 VanDerWaalsContact O-CG 3.25Å; I406-R410 WeakPolarHBondContact O-CG 3.48Å; I406-R410 PolarHBondContact O-N 3.4Å; I406-L665 HydrophobicContact CG2-CB 4.19Å; I406-L665 HydrophobicContact CG2-CD2 4.3Å; I406-E668 HydrophobicContact CD1-CB 3.99Å; I406-A669 HydrophobicContact CG2-CB 4.06Å; I406-L672 HydrophobicContact CD1-CD1 3.72Å
407	E	83.9	Confident	86.3	Confident	90 Å²	90	82.6 Å²	82.6	42%	0.421	39%	0.392	S	S	.	.	H	α-helix	trans	-64.1	-34.2	176.5	-151.9	73	-93.9	0	0	112.1	R403 K405 R410 A411	R403-E407 PolarHBondContact O-N 2.99Å; K405-E407 VanDerWaalsContact C-N 3.32Å; K405-E407 PolarHBondContact O-N 3Å; E407-R410 IonicContact OE1-CZ 2.86Å; E407-R410 IonicContact OE1-NH1 3.06Å; E407-R410 PolarHBondContact OE1-NH1 3.36Å; E407-A411 WeakPolarHBondContact O-CB 3.41Å; E407-A411 PolarHBondContact O-N 3.16Å
408	G	86	Confident	86.4	Confident	32 Å²	32	78 Å²	78	33%	0.33	38%	0.382	S	S	.	.	H	α-helix	trans	-62.9	-54	172.2	0	0	0	0	0	112.7	A404 K405 I406 R410 A411 D412	A404-G408 PolarHBondContact O-N 3.08Å; K405-G408 PolarHBondContact O-N 3.44Å; K405-G408 VanDerWaalsContact O-N 3.12Å; I406-G408 VanDerWaalsContact C-N 3.28Å; I406-G408 PolarHBondContact O-N 3.34Å; G408-R410 VanDerWaalsContact C-N 3.26Å; G408-R410 PolarHBondContact O-N 3.39Å; G408-A411 WeakPolarHBondContact O-CA 3.3Å; G408-A411 WeakPolarHBondContact O-CB 3.31Å; G408-A411 PolarHBondContact O-N 2.93Å; G408-D412 PolarHBondContact O-N 3.01Å
409	E	88.8	Confident	86.4	Confident	66 Å²	66	75.7 Å²	75.7	31%	0.308	38%	0.381	S	S	.	.	H	α-helix	trans	-58.8	-37.5	179.6	-67.1	-173.2	-138.8	0	0	112.1	K405 I406 D412 L413 L665	K405-E409 WeakPolarHBondContact CE-OE1 3.39Å; K405-E409 PolarHBondContact O-N 3.14Å; K405-E409 VanDerWaalsContact O-N 3.11Å; I406-E409 PolarHBondContact O-N 2.89Å; E409-D412 PolarHBondContact O-N 3.31Å; E409-L413 WeakPolarHBondContact O-CG 3.24Å; E409-L413 PolarHBondContact O-N 2.67Å; E409-L413 VanDerWaalsContact O-N 3.08Å; E409-L665 HydrophobicContact CB-CD1 3.84Å
410	R	86.5	Confident	86.5	Confident	48 Å²	48	76 Å²	76	18%	0.181	38%	0.383	C	S	.	.	H	α-helix	trans	-67	-34.3	173.5	-67.4	172.1	80.3	-143.7	11.9	113	I406 E407 G408 R414 M662 L665 Q666	I406-R410 HydrophobicContact CG2-CG 4.43Å; I406-R410 VanDerWaalsContact O-CG 3.25Å; I406-R410 WeakPolarHBondContact O-CG 3.48Å; I406-R410 PolarHBondContact O-N 3.4Å; E407-R410 IonicContact OE1-CZ 2.86Å; E407-R410 IonicContact OE1-NH1 3.06Å; E407-R410 PolarHBondContact OE1-NH1 3.36Å; G408-R410 VanDerWaalsContact C-N 3.26Å; G408-R410 PolarHBondContact O-N 3.39Å; R410-R414 WeakPolarHBondContact O-CB 3.37Å; R410-R414 PolarHBondContact O-N 3.13Å; R410-R414 VanDerWaalsContact O-N 3.1Å; R410-M662 HydrophobicContact CB-CE 4.27Å; R410-M662 HydrophobicContact CB-SD 4Å; R410-M662 HydrophobicContact CG-SD 4.11Å; R410-L665 HydrophobicContact CG-CB 3.74Å; R410-L665 HydrophobicContact CG-CD1 3.9Å; R410-L665 HydrophobicContact CG-CG 4.46Å; R410-Q666 VanDerWaalsContact NH2-OE1 3.14Å
411	A	84.7	Confident	86.7	Confident	44 Å²	44	72.6 Å²	72.6	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-74.5	-27.3	178.8	0	0	0	0	0	113.2	E407 G408 R415	E407-A411 WeakPolarHBondContact O-CB 3.41Å; E407-A411 PolarHBondContact O-N 3.16Å; G408-A411 WeakPolarHBondContact O-CA 3.3Å; G408-A411 WeakPolarHBondContact O-CB 3.31Å; G408-A411 PolarHBondContact O-N 2.93Å; A411-R415 VanDerWaalsContact C-NH2 3.29Å; A411-R415 VanDerWaalsContact O-CZ 3.31Å; A411-R415 PolarHBondContact O-NE 2.92Å; A411-R415 PolarHBondContact O-NH2 3.42Å
412	D	88.3	Confident	86.6	Confident	88 Å²	88	70.1 Å²	70.1	47%	0.471	36%	0.361	S	S	.	.	H	α-helix	trans	-77.7	-48.9	171.8	-71.2	-41.1	0	0	0	111.4	G408 E409 R414 R415 E416	G408-D412 PolarHBondContact O-N 3.01Å; E409-D412 PolarHBondContact O-N 3.31Å; D412-R414 VanDerWaalsContact C-N 3.27Å; D412-R414 PolarHBondContact O-N 2.66Å; D412-R415 WeakPolarHBondContact O-CB 3.49Å; D412-R415 PolarHBondContact O-N 2.87Å; D412-R415 IonicContact OD1-CZ 2.65Å; D412-R415 IonicContact OD1-NH1 3.88Å; D412-R415 PolarHBondContact OD1-NH1 3.21Å; D412-R415 IonicContact OD1-NH2 3.94Å; D412-R415 PolarHBondContact OD1-NH2 3.13Å; D412-E416 PolarHBondContact O-N 2.83Å; D412-E416 VanDerWaalsContact O-N 3.07Å
413	L	89.1	Confident	86.6	Confident	14 Å²	14	70.3 Å²	70.3	7%	0.073	36%	0.362	C	S	.	.	H	α-helix	trans	-58.9	-34.9	177.3	-75.6	168	0	0	0	113.2	E409 E416 G417 I658 R661 M662 L665	E409-L413 WeakPolarHBondContact O-CG 3.24Å; E409-L413 PolarHBondContact O-N 2.67Å; E409-L413 VanDerWaalsContact O-N 3.08Å; L413-E416 PolarHBondContact O-N 3.32Å; L413-G417 PolarHBondContact O-N 3.45Å; L413-I658 HydrophobicContact CB-CG2 4.42Å; L413-R661 HydrophobicContact CD1-CB 4.26Å; L413-R661 HydrophobicContact CD1-CG 3.76Å; L413-M662 HydrophobicContact CB-CG 4.14Å; L413-M662 HydrophobicContact CB-SD 3.78Å; L413-M662 HydrophobicContact CD1-CG 4.49Å; L413-M662 HydrophobicContact CD1-SD 4.28Å; L413-L665 HydrophobicContact CD1-CD1 3.62Å
414	R	87.8	Confident	86.6	Confident	162 Å²	162	67.5 Å²	67.5	61%	0.611	35%	0.354	S	S	*	.	H	α-helix	trans	-60.9	-45.4	172.1	175.7	172.4	-73.8	170.8	-2.8	112	R410 D412 E416 G417 D418	R410-R414 WeakPolarHBondContact O-CB 3.37Å; R410-R414 PolarHBondContact O-N 3.13Å; R410-R414 VanDerWaalsContact O-N 3.1Å; D412-R414 VanDerWaalsContact C-N 3.27Å; D412-R414 PolarHBondContact O-N 2.66Å; R414-E416 VanDerWaalsContact C-N 3.32Å; R414-E416 PolarHBondContact O-N 3.24Å; R414-G417 PolarHBondContact O-N 2.98Å; R414-D418 WeakPolarHBondContact CG-OD2 3.44Å; R414-D418 WeakPolarHBondContact O-CB 3.37Å; R414-D418 PolarHBondContact O-N 2.89Å
415	R	86.4	Confident	86.7	Confident	141 Å²	141	70.7 Å²	70.7	53%	0.532	36%	0.355	S	S	.	.	H	α-helix	trans	-64.2	-36.7	179	-84.1	173.3	-85	143.3	-3.3	111.9	A411 D412 N419	A411-R415 VanDerWaalsContact C-NH2 3.29Å; A411-R415 VanDerWaalsContact O-CZ 3.31Å; A411-R415 PolarHBondContact O-NE 2.92Å; A411-R415 PolarHBondContact O-NH2 3.42Å; D412-R415 WeakPolarHBondContact O-CB 3.49Å; D412-R415 PolarHBondContact O-N 2.87Å; D412-R415 IonicContact OD1-CZ 2.65Å; D412-R415 IonicContact OD1-NH1 3.88Å; D412-R415 PolarHBondContact OD1-NH1 3.21Å; D412-R415 IonicContact OD1-NH2 3.94Å; D412-R415 PolarHBondContact OD1-NH2 3.13Å; R415-N419 VanDerWaalsContact O-CG 3.24Å; R415-N419 PolarHBondContact O-N 3.09Å; R415-N419 PolarHBondContact O-ND2 2.88Å
416	E	89.2	Confident	86.5	Confident	101 Å²	101	71.2 Å²	71.2	47%	0.472	36%	0.361	S	S	.	.	H	α-helix	trans	-64.4	-47.1	172.7	-166.7	178.4	-174.4	0	0	111.7	D412 L413 R414 D418 N419 I420 I658	D412-E416 PolarHBondContact O-N 2.83Å; D412-E416 VanDerWaalsContact O-N 3.07Å; L413-E416 PolarHBondContact O-N 3.32Å; R414-E416 VanDerWaalsContact C-N 3.32Å; R414-E416 PolarHBondContact O-N 3.24Å; E416-D418 PolarHBondContact O-N 2.94Å; E416-N419 PolarHBondContact O-N 3.35Å; E416-I420 HydrophobicContact CG-CD1 4.24Å; E416-I420 WeakPolarHBondContact O-CG1 3.36Å; E416-I420 PolarHBondContact O-N 3.43Å; E416-I420 VanDerWaalsContact O-N 3.12Å; E416-I658 HydrophobicContact CB-CD1 4.12Å; E416-I658 HydrophobicContact CG-CD1 3.78Å
417	G	87.6	Confident	86.3	Confident	12 Å²	12	71.6 Å²	71.6	12%	0.124	36%	0.363	C	S	.	.	H	α-helix	trans	-62.3	-41.5	177	0	0	0	0	0	113.8	L413 R414 N419 I420 S421 L655	L413-G417 PolarHBondContact O-N 3.45Å; R414-G417 PolarHBondContact O-N 2.98Å; G417-N419 VanDerWaalsContact C-N 3.34Å; G417-N419 PolarHBondContact O-N 2.84Å; G417-I420 PolarHBondContact O-N 3.32Å; G417-S421 WeakPolarHBondContact O-CB 3.43Å; G417-S421 PolarHBondContact O-N 2.93Å; G417-L655 WeakPolarHBondContact O-CD2 3.41Å
418	D	85.2	Confident	86.1	Confident	97 Å²	97	70.6 Å²	70.6	52%	0.519	36%	0.363	S	S	.	.	H	α-helix	trans	-62.4	-40.4	177	-75.6	-36.6	0	0	0	111.7	R414 E416 S421 A422	R414-D418 WeakPolarHBondContact CG-OD2 3.44Å; R414-D418 WeakPolarHBondContact O-CB 3.37Å; R414-D418 PolarHBondContact O-N 2.89Å; E416-D418 PolarHBondContact O-N 2.94Å; D418-S421 WeakPolarHBondContact O-CB 3.27Å; D418-S421 PolarHBondContact O-N 2.95Å; D418-A422 PolarHBondContact O-N 3.11Å
419	N	87.7	Confident	85.8	Confident	114 Å²	114	75.6 Å²	75.6	61%	0.61	38%	0.376	S	S	*	.	H	α-helix	trans	-63.8	-50	176.1	-72.9	-24	0	0	0	112.1	R415 E416 G417 S421 A422 E423	R415-N419 VanDerWaalsContact O-CG 3.24Å; R415-N419 PolarHBondContact O-N 3.09Å; R415-N419 PolarHBondContact O-ND2 2.88Å; E416-N419 PolarHBondContact O-N 3.35Å; G417-N419 VanDerWaalsContact C-N 3.34Å; G417-N419 PolarHBondContact O-N 2.84Å; N419-S421 VanDerWaalsContact C-N 3.26Å; N419-S421 PolarHBondContact O-N 3.38Å; N419-A422 WeakPolarHBondContact O-CB 3.45Å; N419-A422 PolarHBondContact O-N 3.47Å; N419-A422 VanDerWaalsContact O-N 3.09Å; N419-E423 PolarHBondContact O-N 3.23Å
420	I	88.9	Confident	85.3	Confident	13 Å²	13	76.6 Å²	76.6	7%	0.067	38%	0.379	C	S	.	.	H	α-helix	trans	-67.3	-31.3	179.3	-59.8	172.2	0	0	0	110.7	E416 G417 A422 E423 S424 C651 R654 L655 I658	E416-I420 HydrophobicContact CG-CD1 4.24Å; E416-I420 WeakPolarHBondContact O-CG1 3.36Å; E416-I420 PolarHBondContact O-N 3.43Å; E416-I420 VanDerWaalsContact O-N 3.12Å; G417-I420 PolarHBondContact O-N 3.32Å; I420-A422 VanDerWaalsContact C-N 3.34Å; I420-E423 PolarHBondContact O-N 2.96Å; I420-S424 WeakPolarHBondContact O-CB 3.31Å; I420-S424 PolarHBondContact O-N 3.19Å; I420-C651 HydrophobicContact CG2-CB 3.93Å; I420-R654 HydrophobicContact CD1-CB 3.86Å; I420-L655 HydrophobicContact CB-CD2 4.07Å; I420-L655 HydrophobicContact CB-CG 4.34Å; I420-L655 HydrophobicContact CG2-CD1 4.26Å; I420-L655 HydrophobicContact CG2-CD2 4.1Å; I420-L655 HydrophobicContact CG2-CG 3.79Å; I420-I658 HydrophobicContact CD1-CD1 3.88Å
421	S	85.4	Confident	84.9	Confident	32 Å²	32	75.7 Å²	75.7	22%	0.224	38%	0.378	C	S	.	.	H	α-helix	trans	-63.9	-37.7	171.5	-167.6	0	0	0	0	112.3	G417 D418 N419 K425	G417-S421 WeakPolarHBondContact O-CB 3.43Å; G417-S421 PolarHBondContact O-N 2.93Å; D418-S421 WeakPolarHBondContact O-CB 3.27Å; D418-S421 PolarHBondContact O-N 2.95Å; N419-S421 VanDerWaalsContact C-N 3.26Å; N419-S421 PolarHBondContact O-N 3.38Å; S421-K425 WeakPolarHBondContact O-CD 3.29Å; S421-K425 WeakPolarHBondContact O-CG 3.32Å; S421-K425 PolarHBondContact O-N 3.2Å; S421-K425 VanDerWaalsContact O-N 3.13Å; S421-K425 WeakPolarHBondContact OG-CE 3.05Å; S421-K425 PolarHBondContact OG-NZ 2.88Å
422	A	84.1	Confident	84.5	Confident	49 Å²	49	80 Å²	80	41%	0.405	39%	0.389	S	S	.	.	H	α-helix	trans	-68.3	-43.2	174.9	0	0	0	0	0	112.2	D418 N419 I420 K425 M426	D418-A422 PolarHBondContact O-N 3.11Å; N419-A422 WeakPolarHBondContact O-CB 3.45Å; N419-A422 PolarHBondContact O-N 3.47Å; N419-A422 VanDerWaalsContact O-N 3.09Å; I420-A422 VanDerWaalsContact C-N 3.34Å; A422-K425 PolarHBondContact O-N 3.29Å; A422-M426 PolarHBondContact O-N 3.48Å
423	E	86.2	Confident	83.7	Confident	92 Å²	92	79.4 Å²	79.4	43%	0.43	39%	0.385	S	S	.	.	H	α-helix	trans	-58.6	-50.5	174.4	-174.2	175.2	-164.5	0	0	111.6	N419 I420 K425 M426 L427	N419-E423 PolarHBondContact O-N 3.23Å; I420-E423 PolarHBondContact O-N 2.96Å; E423-K425 VanDerWaalsContact C-N 3.33Å; E423-K425 PolarHBondContact O-N 3.06Å; E423-M426 PolarHBondContact O-N 3.2Å; E423-M426 VanDerWaalsContact O-N 3.07Å; E423-L427 HydrophobicContact CG-CD1 4.38Å; E423-L427 PolarHBondContact O-N 3.02Å; E423-L427 VanDerWaalsContact O-N 3.08Å
424	S	84.1	Confident	82.8	Confident	20 Å²	20	79.7 Å²	79.7	14%	0.14	39%	0.386	C	S	.	.	H	α-helix	trans	-55	-44.8	175.6	177.8	0	0	0	0	112.4	I420 M426 L427 V428	I420-S424 WeakPolarHBondContact O-CB 3.31Å; I420-S424 PolarHBondContact O-N 3.19Å; S424-M426 VanDerWaalsContact C-N 3.3Å; S424-M426 PolarHBondContact O-N 3.44Å; S424-L427 PolarHBondContact O-N 2.72Å; S424-V428 WeakPolarHBondContact O-CB 3.11Å; S424-V428 VanDerWaalsContact O-CG2 3.31Å; S424-V428 WeakPolarHBondContact O-CG2 3.32Å; S424-V428 PolarHBondContact O-N 2.98Å
425	K	83.6	Confident	82	Confident	135 Å²	135	74.3 Å²	74.3	59%	0.587	37%	0.37	S	S	*	.	H	α-helix	trans	-61.4	-34.8	177.3	-73.1	159.3	-173.2	148.4	0	112.8	S421 A422 E423 K429	S421-K425 WeakPolarHBondContact O-CD 3.29Å; S421-K425 WeakPolarHBondContact O-CG 3.32Å; S421-K425 PolarHBondContact O-N 3.2Å; S421-K425 VanDerWaalsContact O-N 3.13Å; S421-K425 WeakPolarHBondContact OG-CE 3.05Å; S421-K425 PolarHBondContact OG-NZ 2.88Å; A422-K425 PolarHBondContact O-N 3.29Å; E423-K425 VanDerWaalsContact C-N 3.33Å; E423-K425 PolarHBondContact O-N 3.06Å; K425-K429 PolarHBondContact O-N 3.47Å; K425-K429 VanDerWaalsContact O-N 3.15Å
426	M	83.6	Confident	81.3	Confident	133 Å²	133	71.3 Å²	71.3	66%	0.655	36%	0.364	S	S	*	.	H	α-helix	trans	-70.4	-42.8	175.5	-67.7	-171.1	-69.5	0	0	112	A422 E423 S424 K429 K430	A422-M426 PolarHBondContact O-N 3.48Å; E423-M426 PolarHBondContact O-N 3.2Å; E423-M426 VanDerWaalsContact O-N 3.07Å; S424-M426 VanDerWaalsContact C-N 3.3Å; S424-M426 PolarHBondContact O-N 3.44Å; M426-K429 PolarHBondContact O-N 2.97Å; M426-K430 PolarHBondContact O-N 3.26Å
427	L	84.8	Confident	80.2	Confident	20 Å²	20	70.8 Å²	70.8	11%	0.105	36%	0.363	C	S	.	.	H	α-helix	trans	-63.2	-45	176.2	-65.8	170.3	0	0	0	111.7	E423 S424 K429 K430 L431 V644 Q647	E423-L427 HydrophobicContact CG-CD1 4.38Å; E423-L427 PolarHBondContact O-N 3.02Å; E423-L427 VanDerWaalsContact O-N 3.08Å; S424-L427 PolarHBondContact O-N 2.72Å; L427-K429 VanDerWaalsContact C-N 3.29Å; L427-K429 PolarHBondContact O-N 3.49Å; L427-K430 PolarHBondContact O-N 3.07Å; L427-L431 WeakPolarHBondContact O-CB 3.36Å; L427-L431 PolarHBondContact O-N 3.49Å; L427-V644 HydrophobicContact CB-CG1 4.3Å; L427-V644 HydrophobicContact CD2-CG1 4.23Å; L427-Q647 HydrophobicContact CD1-CB 3.75Å; L427-Q647 HydrophobicContact CD2-CB 4.2Å
428	V	80.4	Confident	79.2	Confident	70 Å²	70	74.3 Å²	74.3	42%	0.424	38%	0.377	S	S	.	.	H	α-helix	trans	-57.8	-40.5	174.4	168.5	0	0	0	0	111.5	S424 K432 M648	S424-V428 WeakPolarHBondContact O-CB 3.11Å; S424-V428 VanDerWaalsContact O-CG2 3.31Å; S424-V428 WeakPolarHBondContact O-CG2 3.32Å; S424-V428 PolarHBondContact O-N 2.98Å; V428-K432 WeakPolarHBondContact O-CB 3.35Å; V428-K432 PolarHBondContact O-N 3.04Å; V428-M648 HydrophobicContact CG2-CG 4.28Å; V428-M648 HydrophobicContact CG2-SD 3.67Å
429	K	79.1	Confident	78.4	Confident	136 Å²	136	74.3 Å²	74.3	59%	0.591	38%	0.377	S	S	*	.	H	α-helix	trans	-63.4	-50.8	175.1	-174.6	-175.5	173.1	-171	0	111.3	K425 M426 L427 L431 K432 D433	K425-K429 PolarHBondContact O-N 3.47Å; K425-K429 VanDerWaalsContact O-N 3.15Å; M426-K429 PolarHBondContact O-N 2.97Å; L427-K429 VanDerWaalsContact C-N 3.29Å; L427-K429 PolarHBondContact O-N 3.49Å; K429-L431 VanDerWaalsContact C-N 3.3Å; K429-L431 PolarHBondContact O-N 2.99Å; K429-K432 WeakPolarHBondContact O-CB 3.48Å; K429-K432 PolarHBondContact O-N 3.34Å; K429-K432 VanDerWaalsContact O-N 3.09Å; K429-D433 PolarHBondContact O-N 3.28Å
430	K	77.8	Confident	77.5	Confident	88 Å²	88	70.9 Å²	70.9	38%	0.383	36%	0.364	S	S	.	.	H	α-helix	trans	-57.1	-43.7	179.5	-172.9	175	178.3	-176.1	0	111.9	M426 L427 D433 M434 E640 V644	M426-K430 PolarHBondContact O-N 3.26Å; L427-K430 PolarHBondContact O-N 3.07Å; K430-D433 PolarHBondContact O-N 2.86Å; K430-M434 HydrophobicContact CG-CE 4.34Å; K430-M434 WeakPolarHBondContact O-CG 3.49Å; K430-M434 PolarHBondContact O-N 2.97Å; K430-E640 WeakPolarHBondContact CE-OE1 3.43Å; K430-E640 IonicContact NZ-OE1 2.83Å; K430-E640 PolarHBondContact NZ-OE1 3.33Å; K430-V644 HydrophobicContact CD-CG2 3.87Å; K430-V644 HydrophobicContact CG-CG2 4.4Å
431	L	78.3	Confident	76.6	Confident	28 Å²	28	71 Å²	71	15%	0.147	37%	0.365	C	S	.	.	H	α-helix	trans	-64.7	-38.2	176.3	-175.4	149.7	0	0	0	112.7	L427 K429 N435 V644 E645 M648	L427-L431 WeakPolarHBondContact O-CB 3.36Å; L427-L431 PolarHBondContact O-N 3.49Å; K429-L431 VanDerWaalsContact C-N 3.3Å; K429-L431 PolarHBondContact O-N 2.99Å; L431-N435 VanDerWaalsContact CD2-ND2 3.35Å; L431-N435 WeakPolarHBondContact CD2-ND2 3.36Å; L431-N435 PolarHBondContact O-N 3.22Å; L431-N435 PolarHBondContact O-ND2 3.3Å; L431-V644 HydrophobicContact CB-CG1 3.98Å; L431-V644 HydrophobicContact CD1-CG1 4.43Å; L431-E645 HydrophobicContact CD1-CG 3.49Å; L431-E645 VanDerWaalsContact CD1-CG 3.49Å; L431-M648 HydrophobicContact CD1-SD 4.4Å
432	K	77	Confident	76.1	Confident	136 Å²	136	70.6 Å²	70.6	59%	0.591	36%	0.359	S	S	*	.	H	α-helix	trans	-63.8	-43.5	174.3	-173.6	-179.6	-178.8	-178.8	0	111.5	V428 K429 N435 N436	V428-K432 WeakPolarHBondContact O-CB 3.35Å; V428-K432 PolarHBondContact O-N 3.04Å; K429-K432 WeakPolarHBondContact O-CB 3.48Å; K429-K432 PolarHBondContact O-N 3.34Å; K429-K432 VanDerWaalsContact O-N 3.09Å; K432-N435 PolarHBondContact O-N 2.98Å; K432-N436 PolarHBondContact O-N 3.27Å; K432-N436 PolarHBondContact O-ND2 2.77Å
433	D	72.4	Confident	75.7	Confident	74 Å²	74	72.5 Å²	72.5	40%	0.396	36%	0.36	S	S	.	.	H	α-helix	trans	-66.6	-39.1	-179.6	-65.6	-26.8	0	0	0	111.5	K429 K430 N436 M437	K429-D433 PolarHBondContact O-N 3.28Å; K430-D433 PolarHBondContact O-N 2.86Å; D433-N436 WeakPolarHBondContact O-CB 3.41Å; D433-N436 PolarHBondContact O-N 3.48Å; D433-M437 PolarHBondContact O-N 2.66Å
434	M	70.1	Confident	75.2	Confident	20 Å²	20	71.9 Å²	71.9	10%	0.099	36%	0.356	C	S	.	.	H	α-helix	trans	-60.6	-43.9	169.5	-71.1	169.1	163.2	0	0	113	K430 N436 M437 M438 E640 K641	K430-M434 HydrophobicContact CG-CE 4.34Å; K430-M434 WeakPolarHBondContact O-CG 3.49Å; K430-M434 PolarHBondContact O-N 2.97Å; M434-N436 VanDerWaalsContact C-N 3.31Å; M434-N436 PolarHBondContact O-N 3.16Å; M434-M437 PolarHBondContact O-N 2.87Å; M434-M438 PolarHBondContact O-N 3.02Å; M434-E640 HydrophobicContact CE-CB 4Å; M434-E640 HydrophobicContact CE-CG 3.71Å; M434-E640 WeakPolarHBondContact CE-OE2 3.11Å; M434-K641 HydrophobicContact SD-CB 4.11Å; M434-K641 HydrophobicContact SD-CG 4.47Å
435	N	70.6	Confident	74.9	Confident	49 Å²	49	71 Å²	71	26%	0.262	35%	0.349	S	S	.	.	H	α-helix	trans	-65.7	-32.6	177	-77.2	-31.1	0	0	0	112.4	L431 K432 M437 M438 N439 K641	L431-N435 VanDerWaalsContact CD2-ND2 3.35Å; L431-N435 WeakPolarHBondContact CD2-ND2 3.36Å; L431-N435 PolarHBondContact O-N 3.22Å; L431-N435 PolarHBondContact O-ND2 3.3Å; K432-N435 PolarHBondContact O-N 2.98Å; N435-M437 VanDerWaalsContact C-N 3.29Å; N435-M437 PolarHBondContact O-N 3.17Å; N435-M438 PolarHBondContact O-N 3.38Å; N435-N439 VanDerWaalsContact O-CG 3.27Å; N435-N439 PolarHBondContact O-N 2.92Å; N435-N439 PolarHBondContact O-ND2 3.09Å; N435-K641 PolarHBondContact OD1-NZ 2.89Å
436	N	70.9	Confident	74.8	Confident	79 Å²	79	70 Å²	70	42%	0.422	34%	0.342	S	S	.	.	H	α-helix	trans	-61.6	-37.2	173.3	-66.1	-31	0	0	0	111.7	K432 D433 M434 N439 A440	K432-N436 PolarHBondContact O-N 3.27Å; K432-N436 PolarHBondContact O-ND2 2.77Å; D433-N436 WeakPolarHBondContact O-CB 3.41Å; D433-N436 PolarHBondContact O-N 3.48Å; M434-N436 VanDerWaalsContact C-N 3.31Å; M434-N436 PolarHBondContact O-N 3.16Å; N436-N439 PolarHBondContact O-N 2.8Å; N436-A440 PolarHBondContact O-N 3.39Å
437	M	66.3	Low	74.5	Confident	90 Å²	90	66.4 Å²	66.4	44%	0.443	34%	0.339	S	S	.	.	H	α-helix	trans	-68.6	-36.7	175.7	-64.1	177.9	69.1	0	0	112.8	D433 M434 N435 A440 K441 I634 T635 V636	D433-M437 PolarHBondContact O-N 2.66Å; M434-M437 PolarHBondContact O-N 2.87Å; N435-M437 VanDerWaalsContact C-N 3.29Å; N435-M437 PolarHBondContact O-N 3.17Å; M437-A440 PolarHBondContact O-N 3.49Å; M437-K441 PolarHBondContact O-N 3.31Å; M437-I634 HydrophobicContact CE-CG2 4.43Å; M437-T635 VanDerWaalsContact CE-O 3.26Å; M437-T635 WeakPolarHBondContact CE-O 3.24Å; M437-V636 HydrophobicContact CB-CG2 4.09Å
438	M	66.5	Low	74.2	Confident	86 Å²	86	72 Å²	72	42%	0.424	36%	0.358	S	S	.	.	H	α-helix	trans	-63.9	-45.9	171.4	-65.8	-174.6	70.2	0	0	111.4	M434 N435 A440 K441 E442 V636 K641	M434-M438 PolarHBondContact O-N 3.02Å; N435-M438 PolarHBondContact O-N 3.38Å; M438-A440 VanDerWaalsContact C-N 3.26Å; M438-A440 PolarHBondContact O-N 3Å; M438-K441 WeakPolarHBondContact O-CB 3.49Å; M438-K441 PolarHBondContact O-N 3.31Å; M438-K441 VanDerWaalsContact O-N 3.09Å; M438-E442 PolarHBondContact O-N 3.19Å; M438-V636 HydrophobicContact CG-CG1 4.08Å; M438-V636 HydrophobicContact CG-CG2 4.25Å; M438-K641 HydrophobicContact SD-CD 4.48Å; M438-K641 PolarHBondContact SD-NZ 3.4Å; M438-K641 VanDerWaalsContact SD-NZ 3.38Å
439	N	69.7	Low	74.3	Confident	97 Å²	97	70.7 Å²	70.7	52%	0.519	35%	0.347	S	S	.	.	H	α-helix	trans	-59.7	-35.6	176.7	-69.1	-22.5	0	0	0	111.9	N435 N436 K441 E442 E443	N435-N439 VanDerWaalsContact O-CG 3.27Å; N435-N439 PolarHBondContact O-N 2.92Å; N435-N439 PolarHBondContact O-ND2 3.09Å; N436-N439 PolarHBondContact O-N 2.8Å; N439-K441 VanDerWaalsContact C-N 3.34Å; N439-K441 PolarHBondContact O-N 3.22Å; N439-E442 PolarHBondContact O-N 3.27Å; N439-E443 WeakPolarHBondContact O-CB 3.34Å; N439-E443 PolarHBondContact O-N 2.81Å
440	A	68.2	Low	74.6	Confident	41 Å²	41	73.3 Å²	73.3	34%	0.339	35%	0.354	S	S	.	.	H	α-helix	trans	-65	-30.9	175.6	0	0	0	0	0	113.9	N436 M437 M438 K444 I634	N436-A440 PolarHBondContact O-N 3.39Å; M437-A440 PolarHBondContact O-N 3.49Å; M438-A440 VanDerWaalsContact C-N 3.26Å; M438-A440 PolarHBondContact O-N 3Å; A440-K444 PolarHBondContact O-N 3.37Å; A440-I634 HydrophobicContact CB-CD1 4.18Å
441	K	70.2	Confident	75.1	Confident	17 Å²	17	71.8 Å²	71.8	7%	0.074	35%	0.35	C	S	.	.	H	α-helix	trans	-66.8	-45.5	170	-68.6	-168.4	175.9	-170.8	0	111.3	M437 M438 N439 E443 K444 L445 L476 I634	M437-K441 PolarHBondContact O-N 3.31Å; M438-K441 WeakPolarHBondContact O-CB 3.49Å; M438-K441 PolarHBondContact O-N 3.31Å; M438-K441 VanDerWaalsContact O-N 3.09Å; N439-K441 VanDerWaalsContact C-N 3.34Å; N439-K441 PolarHBondContact O-N 3.22Å; K441-E443 VanDerWaalsContact C-N 3.35Å; K441-K444 PolarHBondContact O-N 2.83Å; K441-L445 PolarHBondContact O-N 3.14Å; K441-L476 HydrophobicContact CB-CD2 3.74Å; K441-I634 WeakPolarHBondContact CE-O 3.19Å; K441-I634 HydrophobicContact CG-CB 4.1Å; K441-I634 HydrophobicContact CG-CD1 4.31Å; K441-I634 HydrophobicContact CG-CG2 4.09Å; K441-I634 PolarHBondContact NZ-O 2.83Å
442	E	74.6	Confident	75.6	Confident	22 Å²	22	70.4 Å²	70.4	10%	0.103	34%	0.343	C	S	.	.	H	α-helix	trans	-68.1	-33.7	-179.7	-172.1	164.7	158.5	0	0	112.5	M438 N439 L445 R446 H453 L456 Q457 R460	M438-E442 PolarHBondContact O-N 3.19Å; N439-E442 PolarHBondContact O-N 3.27Å; E442-L445 WeakPolarHBondContact O-CB 3.31Å; E442-L445 PolarHBondContact O-N 3.36Å; E442-R446 WeakPolarHBondContact O-CB 3.23Å; E442-R446 PolarHBondContact O-N 3.08Å; E442-H453 IonicContact OE1-CE1 2.73Å; E442-H453 PolarHBondContact OE1-CE1 3.26Å; E442-H453 IonicContact OE1-ND1 2.92Å; E442-L456 HydrophobicContact CG-CD2 4.24Å; E442-Q457 PolarHBondContact OE1-NE2 2.85Å; E442-R460 VanDerWaalsContact CD-NH1 3.31Å; E442-R460 IonicContact OE1-NH1 2.67Å; E442-R460 PolarHBondContact OE1-NH1 3.47Å; E442-R460 IonicContact OE2-CZ 2.73Å; E442-R460 VanDerWaalsContact OE2-CZ 3.23Å; E442-R460 IonicContact OE2-NH1 3.26Å; E442-R460 PolarHBondContact OE2-NH1 2.86Å; E442-R460 IonicContact OE2-NH2 3.15Å; E442-R460 PolarHBondContact OE2-NH2 3.18Å
443	E	75.7	Confident	76.2	Confident	90 Å²	90	65.5 Å²	65.5	42%	0.421	32%	0.322	S	S	.	.	H	α-helix	trans	-66.1	-42.1	174.4	-168.7	60	-131.5	0	0	111.9	N439 K441 L445 R446 G447	N439-E443 WeakPolarHBondContact O-CB 3.34Å; N439-E443 PolarHBondContact O-N 2.81Å; K441-E443 VanDerWaalsContact C-N 3.35Å; E443-L445 VanDerWaalsContact C-N 3.26Å; E443-L445 PolarHBondContact O-N 3.03Å; E443-R446 PolarHBondContact O-N 3.37Å; E443-R446 IonicContact OE1-CZ 3.32Å; E443-R446 IonicContact OE1-NE 3.76Å; E443-R446 PolarHBondContact OE1-NE 3.11Å; E443-R446 IonicContact OE1-NH2 2.69Å; E443-R446 PolarHBondContact OE1-NH2 3.26Å; E443-R446 IonicContact OE2-CZ 2.65Å; E443-R446 IonicContact OE2-NE 2.67Å; E443-R446 PolarHBondContact OE2-NE 3.18Å; E443-R446 VanDerWaalsContact OE2-NE 3.14Å; E443-R446 IonicContact OE2-NH1 3.05Å; E443-R446 IonicContact OE2-NH2 2.68Å; E443-R446 PolarHBondContact OE2-NH2 3.5Å; E443-G447 PolarHBondContact O-N 3.41Å
444	K	75.1	Confident	76.9	Confident	79 Å²	79	64 Å²	64	34%	0.343	32%	0.319	S	S	.	.	H	α-helix	trans	-57.9	-39.1	172.1	-79.4	-175.7	175.1	-173.7	0	111.8	A440 K441 Q630 I634	A440-K444 PolarHBondContact O-N 3.37Å; K441-K444 PolarHBondContact O-N 2.83Å; K444-Q630 PolarHBondContact NZ-O 3.33Å; K444-I634 HydrophobicContact CD-CD1 4.22Å
445	L	78.5	Confident	77.8	Confident	1 Å²	1	63 Å²	63	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-66.4	-49.2	173.8	177.5	64	0	0	0	111.2	K441 E442 E443 G447 R448 H449 T452 H453 L456 P473 M475 L476 R499	K441-L445 PolarHBondContact O-N 3.14Å; E442-L445 WeakPolarHBondContact O-CB 3.31Å; E442-L445 PolarHBondContact O-N 3.36Å; E443-L445 VanDerWaalsContact C-N 3.26Å; E443-L445 PolarHBondContact O-N 3.03Å; L445-G447 VanDerWaalsContact C-N 3.34Å; L445-G447 PolarHBondContact O-N 2.93Å; L445-R448 PolarHBondContact O-N 3.37Å; L445-H449 HydrophobicContact CD1-CB 4.15Å; L445-H449 CarbonylContact O-C 3.56Å; L445-H449 PolarHBondContact O-N 3.36Å; L445-T452 HydrophobicContact CD1-CG2 4.19Å; L445-T452 HydrophobicContact CD2-CG2 4.38Å; L445-H453 HydrophobicContact CG-CB 4.42Å; L445-L456 HydrophobicContact CD2-CD2 4.07Å; L445-P473 HydrophobicContact CD2-CG 4.42Å; L445-M475 HydrophobicContact CB-CE 4.49Å; L445-M475 HydrophobicContact CD1-CE 4.26Å; L445-M475 HydrophobicContact CD1-SD 3.83Å; L445-L476 HydrophobicContact CD2-CD1 4.03Å; L445-L476 HydrophobicContact CD2-CG 4.47Å; L445-R499 HydrophobicContact CD1-CG 4.32Å
446	R	81.2	Confident	78.6	Confident	115 Å²	115	60.7 Å²	60.7	43%	0.434	30%	0.302	S	S	.	.	H	α-helix	trans	-58.2	-42.7	-179.8	-172.9	174.8	80.1	162.7	4	112.8	E442 E443 R448 R450 H453	E442-R446 WeakPolarHBondContact O-CB 3.23Å; E442-R446 PolarHBondContact O-N 3.08Å; E443-R446 PolarHBondContact O-N 3.37Å; E443-R446 IonicContact OE1-CZ 3.32Å; E443-R446 IonicContact OE1-NE 3.76Å; E443-R446 PolarHBondContact OE1-NE 3.11Å; E443-R446 IonicContact OE1-NH2 2.69Å; E443-R446 PolarHBondContact OE1-NH2 3.26Å; E443-R446 IonicContact OE2-CZ 2.65Å; E443-R446 IonicContact OE2-NE 2.67Å; E443-R446 PolarHBondContact OE2-NE 3.18Å; E443-R446 VanDerWaalsContact OE2-NE 3.14Å; E443-R446 IonicContact OE2-NH1 3.05Å; E443-R446 IonicContact OE2-NH2 2.68Å; E443-R446 PolarHBondContact OE2-NH2 3.5Å; R446-R448 PolarHBondContact O-N 2.92Å; R446-R450 WeakPolarHBondContact O-CG 3.17Å; R446-H453 HydrophobicContact CB-CB 4.26Å; R446-H453 WeakPolarHBondContact CD-NE2 3.35Å
447	G	78	Confident	79.5	Confident	57 Å²	57	60.1 Å²	60.1	59%	0.588	30%	0.297	S	S	*	.	H	α-helix	trans	-64.6	-34.9	-178.6	0	0	0	0	0	113.9	E443 L445	E443-G447 PolarHBondContact O-N 3.41Å; L445-G447 VanDerWaalsContact C-N 3.34Å; L445-G447 PolarHBondContact O-N 2.93Å
448	R	77.4	Confident	80.7	Confident	137 Å²	137	57.4 Å²	57.4	52%	0.517	28%	0.282	S	S	.	.	H	α-helix	trans	-101.7	-34.3	-177.1	-65	-175.4	178.2	-173.4	-3.3	114.1	L445 R446 Y631	L445-R448 PolarHBondContact O-N 3.37Å; R446-R448 PolarHBondContact O-N 2.92Å; R448-Y631 VanDerWaalsContact CD-OH 3.31Å; R448-Y631 WeakPolarHBondContact CD-OH 3.34Å; R448-Y631 VanDerWaalsContact NH1-CZ 3.27Å; R448-Y631 PolarHBondContact NH1-OH 2.93Å
449	H	83.9	Confident	81.7	Confident	42 Å²	42	53.3 Å²	53.3	19%	0.194	26%	0.261	C	S	.	.			trans	-137.1	78.2	-173.5	-58	-48.3	0	0	0	112.4	L445 D451 T452 H453 F495 R499	L445-H449 HydrophobicContact CD1-CB 4.15Å; L445-H449 CarbonylContact O-C 3.56Å; L445-H449 PolarHBondContact O-N 3.36Å; H449-D451 PolarHBondContact O-N 3.38Å; H449-T452 PolarHBondContact O-N 3.48Å; H449-H453 PolarHBondContact O-N 2.91Å; H449-H453 VanDerWaalsContact O-N 3.16Å; H449-F495 AromaticContact CD2-CZ 3.7Å; H449-F495 AromaticContact NE2-CE1 3.23Å; H449-F495 WeakPolarHBondContact NE2-CE1 3.45Å; H449-F495 AromaticContact NE2-CZ 3.23Å; H449-F495 WeakPolarHBondContact NE2-CZ 3.46Å; H449-R499 PolarHBondContact ND1-NH1 3.01Å; H449-R499 VanDerWaalsContact ND1-NH1 3.19Å
450	R	85.5	Confident	82.6	Confident	191 Å²	191	53 Å²	53	72%	0.721	25%	0.253	S	S	*	.	H	α-helix	trans	-56.6	-43.7	-178.9	-65.7	-178.8	-179.5	-172.8	-0.2	112.9	R446 T452 H453 A454	R446-R450 WeakPolarHBondContact O-CG 3.17Å; R450-T452 PolarHBondContact O-N 3.3Å; R450-H453 PolarHBondContact O-N 2.65Å; R450-A454 WeakPolarHBondContact O-CB 3.44Å; R450-A454 PolarHBondContact O-N 3.33Å
451	D	88.1	Confident	83.6	Confident	56 Å²	56	59 Å²	59	30%	0.299	27%	0.272	S	S	.	.	H	α-helix	trans	-56.3	-46.2	178.6	-59.7	41.8	0	0	0	112.5	H449 A454 A455 L522 K523	H449-D451 PolarHBondContact O-N 3.38Å; D451-A454 PolarHBondContact O-N 3.27Å; D451-A455 WeakPolarHBondContact O-CB 3.33Å; D451-A455 PolarHBondContact O-N 3.45Å; D451-L522 HydrophobicContact CB-CB 4.38Å; D451-K523 WeakPolarHBondContact OD2-CB 3.5Å; D451-K523 PolarHBondContact OD2-N 3.43Å
452	T	87.8	Confident	84.4	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.9	-38.6	178.4	-45.1	0	0	0	0	111.4	L445 H449 R450 A455 L456 P473 R499 F501	L445-T452 HydrophobicContact CD1-CG2 4.19Å; L445-T452 HydrophobicContact CD2-CG2 4.38Å; H449-T452 PolarHBondContact O-N 3.48Å; R450-T452 PolarHBondContact O-N 3.3Å; T452-A455 PolarHBondContact O-N 3.06Å; T452-L456 VanDerWaalsContact O-CB 3.3Å; T452-L456 WeakPolarHBondContact O-CB 3.28Å; T452-L456 PolarHBondContact O-N 3.25Å; T452-P473 HydrophobicContact CG2-CB 4.44Å; T452-P473 HydrophobicContact CG2-CG 3.81Å; T452-R499 HydrophobicContact CG2-CG 3.72Å; T452-R499 WeakPolarHBondContact OG1-CD 3.3Å; T452-F501 HydrophobicContact CG2-CE2 3.91Å; T452-F501 HydrophobicContact CG2-CZ 4.19Å
453	H	89	Confident	84.8	Confident	33 Å²	33	64.7 Å²	64.7	15%	0.153	30%	0.295	C	S	.	.	H	α-helix	trans	-66.9	-38.8	174.4	176	79.3	0	0	0	112.2	E442 L445 R446 H449 R450 L456 Q457	E442-H453 IonicContact OE1-CE1 2.73Å; E442-H453 PolarHBondContact OE1-CE1 3.26Å; E442-H453 IonicContact OE1-ND1 2.92Å; L445-H453 HydrophobicContact CG-CB 4.42Å; R446-H453 HydrophobicContact CB-CB 4.26Å; R446-H453 WeakPolarHBondContact CD-NE2 3.35Å; H449-H453 PolarHBondContact O-N 2.91Å; H449-H453 VanDerWaalsContact O-N 3.16Å; R450-H453 PolarHBondContact O-N 2.65Å; H453-L456 WeakPolarHBondContact O-CB 3.44Å; H453-L456 PolarHBondContact O-N 3.18Å; H453-Q457 WeakPolarHBondContact O-CB 3.31Å; H453-Q457 WeakPolarHBondContact O-CG 3.49Å; H453-Q457 PolarHBondContact O-N 2.8Å
454	A	87.3	Confident	85.2	Confident	42 Å²	42	64.4 Å²	64.4	35%	0.347	32%	0.316	S	S	.	.	H	α-helix	trans	-63.6	-44.1	174.2	0	0	0	0	0	111.6	R450 D451 L456 Q457 W458 L522	R450-A454 WeakPolarHBondContact O-CB 3.44Å; R450-A454 PolarHBondContact O-N 3.33Å; D451-A454 PolarHBondContact O-N 3.27Å; A454-L456 PolarHBondContact O-N 3.45Å; A454-Q457 PolarHBondContact O-N 3.42Å; A454-W458 PolarHBondContact O-N 3.27Å; A454-L522 HydrophobicContact CB-CD1 3.97Å; A454-L522 HydrophobicContact CB-CD2 4.48Å
455	A	88.9	Confident	85.6	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.3	-34.4	174.3	0	0	0	0	0	113.5	D451 T452 W458 L459 F501 F512 V516 L522 V524	D451-A455 WeakPolarHBondContact O-CB 3.33Å; D451-A455 PolarHBondContact O-N 3.45Å; T452-A455 PolarHBondContact O-N 3.06Å; A455-W458 PolarHBondContact O-N 2.96Å; A455-L459 WeakPolarHBondContact O-CB 3.33Å; A455-L459 PolarHBondContact O-N 3.34Å; A455-F501 HydrophobicContact CB-CE2 3.99Å; A455-F501 HydrophobicContact CB-CZ 3.92Å; A455-F512 HydrophobicContact CB-CZ 4.36Å; A455-V516 HydrophobicContact CB-CG1 3.49Å; A455-V516 VanDerWaalsContact CB-CG1 3.49Å; A455-L522 HydrophobicContact CB-CD1 4.27Å; A455-V524 HydrophobicContact CB-CG1 3.47Å; A455-V524 VanDerWaalsContact CB-CG1 3.47Å
456	L	88.4	Confident	86.1	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.8	-45.4	173.3	170.8	62.8	0	0	0	111.2	E442 L445 T452 H453 A454 W458 L459 R460 E472 L476 F501	E442-L456 HydrophobicContact CG-CD2 4.24Å; L445-L456 HydrophobicContact CD2-CD2 4.07Å; T452-L456 VanDerWaalsContact O-CB 3.3Å; T452-L456 WeakPolarHBondContact O-CB 3.28Å; T452-L456 PolarHBondContact O-N 3.25Å; H453-L456 WeakPolarHBondContact O-CB 3.44Å; H453-L456 PolarHBondContact O-N 3.18Å; A454-L456 PolarHBondContact O-N 3.45Å; L456-W458 VanDerWaalsContact C-N 3.3Å; L456-W458 PolarHBondContact O-N 3.5Å; L456-L459 PolarHBondContact O-N 3.34Å; L456-R460 HydrophobicContact CD1-CG 4.4Å; L456-R460 WeakPolarHBondContact O-CG 3.49Å; L456-R460 PolarHBondContact O-N 3.18Å; L456-E472 HydrophobicContact CD1-CB 3.82Å; L456-E472 HydrophobicContact CD1-CG 3.76Å; L456-E472 WeakPolarHBondContact CD1-OE2 3.28Å; L456-L476 HydrophobicContact CD2-CD1 3.48Å; L456-L476 VanDerWaalsContact CD2-CD1 3.48Å; L456-F501 HydrophobicContact CB-CE1 4.14Å; L456-F501 HydrophobicContact CB-CZ 4.03Å; L456-F501 HydrophobicContact CD1-CE1 4.25Å
457	Q	89.5	Confident	86.3	Confident	67 Å²	67	66.6 Å²	66.6	31%	0.313	33%	0.334	S	S	.	.	H	α-helix	trans	-66.6	-31.4	175.7	-72.9	-71.9	-28.1	0	0	112.1	E442 H453 A454 K461	E442-Q457 PolarHBondContact OE1-NE2 2.85Å; H453-Q457 WeakPolarHBondContact O-CB 3.31Å; H453-Q457 WeakPolarHBondContact O-CG 3.49Å; H453-Q457 PolarHBondContact O-N 2.8Å; A454-Q457 PolarHBondContact O-N 3.42Å; Q457-K461 WeakPolarHBondContact O-CD 3.43Å; Q457-K461 WeakPolarHBondContact O-CG 3.39Å
458	W	90.9	Very high	86.6	Confident	32 Å²	32	64.5 Å²	64.5	12%	0.121	31%	0.313	C	S	.	.	H	α-helix	trans	-69.3	-47.8	169.2	-177.2	91.8	0	0	0	111.8	A454 A455 L456 R460 K461 N462 L465 F466 F512 E515 V516 M520	A454-W458 PolarHBondContact O-N 3.27Å; A455-W458 PolarHBondContact O-N 2.96Å; L456-W458 VanDerWaalsContact C-N 3.3Å; L456-W458 PolarHBondContact O-N 3.5Å; W458-R460 PolarHBondContact O-N 3.09Å; W458-K461 PolarHBondContact O-N 2.9Å; W458-K461 VanDerWaalsContact O-N 3.14Å; W458-N462 HydrophobicContact CD2-CB 4.32Å; W458-N462 HydrophobicContact CE3-CB 4.4Å; W458-N462 HydrophobicContact CH2-CB 4.07Å; W458-N462 HydrophobicContact CZ2-CB 3.97Å; W458-N462 HydrophobicContact CZ3-CB 4.28Å; W458-N462 PolarHBondContact NE1-ND2 3.2Å; W458-N462 WeakPolarHBondContact O-CB 3.48Å; W458-N462 PolarHBondContact O-N 2.89Å; W458-N462 PolarHBondContact O-ND2 3.04Å; W458-L465 HydrophobicContact CH2-CD1 4.2Å; W458-L465 HydrophobicContact CZ2-CD1 4.17Å; W458-F466 HydrophobicContact CH2-CE2 4.46Å; W458-F466 HydrophobicContact CH2-CZ 4.04Å; W458-F466 HydrophobicContact CZ3-CE2 4.16Å; W458-F466 AromaticContact CZ3-CZ 3.85Å; W458-F466 HydrophobicContact CZ3-CZ 3.85Å; W458-F512 HydrophobicContact CE3-CD2 4.36Å; W458-F512 HydrophobicContact CE3-CE2 4.29Å; W458-F512 AromaticContact CZ3-CD2 3.87Å; W458-F512 HydrophobicContact CZ3-CD2 3.87Å; W458-F512 HydrophobicContact CZ3-CE2 4.26Å; W458-E515 HydrophobicContact CH2-CB 3.63Å; W458-E515 HydrophobicContact CH2-CG 3.85Å; W458-E515 HydrophobicContact CZ2-CB 3.58Å; W458-E515 HydrophobicContact CZ2-CG 3.86Å; W458-E515 HydrophobicContact CZ3-CB 4.46Å; W458-V516 HydrophobicContact CD2-CG2 3.93Å; W458-V516 HydrophobicContact CE3-CG2 3.41Å; W458-V516 VanDerWaalsContact CE3-CG2 3.41Å; W458-V516 HydrophobicContact CH2-CG2 4.36Å; W458-V516 HydrophobicContact CZ3-CG2 3.67Å; W458-M520 HydrophobicContact CG-SD 4.32Å; W458-M520 VanDerWaalsContact NE1-CE 3.32Å
459	L	88.5	Confident	87	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-56.8	-48.2	179.4	175.9	61.2	0	0	0	111.3	A455 L456 K461 N462 R463 F466 V470 F501 F512	A455-L459 WeakPolarHBondContact O-CB 3.33Å; A455-L459 PolarHBondContact O-N 3.34Å; L456-L459 PolarHBondContact O-N 3.34Å; L459-K461 VanDerWaalsContact C-N 3.26Å; L459-K461 PolarHBondContact O-N 3.19Å; L459-N462 CarbonylContact O-C 3.54Å; L459-N462 PolarHBondContact O-N 2.82Å; L459-R463 WeakPolarHBondContact O-CG 3.46Å; L459-R463 PolarHBondContact O-N 2.94Å; L459-F466 HydrophobicContact CD1-CD2 4.11Å; L459-F466 HydrophobicContact CD1-CE2 3.66Å; L459-F466 HydrophobicContact CD1-CZ 4.42Å; L459-V470 HydrophobicContact CD1-CB 4.42Å; L459-V470 HydrophobicContact CD1-CG1 3.86Å; L459-V470 HydrophobicContact CD2-CG1 3.88Å; L459-F501 HydrophobicContact CB-CE1 4.48Å; L459-F501 HydrophobicContact CD2-CD1 3.51Å; L459-F501 HydrophobicContact CD2-CE1 3.72Å; L459-F512 HydrophobicContact CB-CE2 4.25Å; L459-F512 HydrophobicContact CD1-CD2 4.4Å; L459-F512 HydrophobicContact CD1-CE2 4.39Å
460	R	88.6	Confident	87.3	Confident	90 Å²	90	60.4 Å²	60.4	34%	0.34	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-34.2	179.2	-74.1	-179.4	-178.6	160.8	2.9	113.1	E442 L456 W458 E472	E442-R460 VanDerWaalsContact CD-NH1 3.31Å; E442-R460 IonicContact OE1-NH1 2.67Å; E442-R460 PolarHBondContact OE1-NH1 3.47Å; E442-R460 IonicContact OE2-CZ 2.73Å; E442-R460 VanDerWaalsContact OE2-CZ 3.23Å; E442-R460 IonicContact OE2-NH1 3.26Å; E442-R460 PolarHBondContact OE2-NH1 2.86Å; E442-R460 IonicContact OE2-NH2 3.15Å; E442-R460 PolarHBondContact OE2-NH2 3.18Å; L456-R460 HydrophobicContact CD1-CG 4.4Å; L456-R460 WeakPolarHBondContact O-CG 3.49Å; L456-R460 PolarHBondContact O-N 3.18Å; W458-R460 PolarHBondContact O-N 3.09Å; R460-E472 WeakPolarHBondContact CG-OE1 3.37Å; R460-E472 IonicContact CZ-OE1 3.83Å; R460-E472 IonicContact CZ-OE2 3.66Å; R460-E472 IonicContact NE-OE1 3.96Å; R460-E472 PolarHBondContact NE-OE1 3.41Å; R460-E472 IonicContact NE-OE2 2.66Å; R460-E472 PolarHBondContact NE-OE2 2.92Å; R460-E472 IonicContact NH2-OE1 3.02Å; R460-E472 IonicContact NH2-OE2 2.66Å; R460-E472 PolarHBondContact NH2-OE2 2.84Å
461	K	88.1	Confident	87.5	Confident	168 Å²	168	52.8 Å²	52.8	73%	0.73	28%	0.276	S	S	*	.	H	α-helix	trans	-75.3	-25.7	174.8	-69.5	173.5	-175.5	-178.8	0	113.3	Q457 W458 L459	Q457-K461 WeakPolarHBondContact O-CD 3.43Å; Q457-K461 WeakPolarHBondContact O-CG 3.39Å; W458-K461 PolarHBondContact O-N 2.9Å; W458-K461 VanDerWaalsContact O-N 3.14Å; L459-K461 VanDerWaalsContact C-N 3.26Å; L459-K461 PolarHBondContact O-N 3.19Å
462	N	88.1	Confident	87.7	Confident	49 Å²	49	51.6 Å²	51.6	26%	0.262	27%	0.268	S	S	.	.	S	Bend	trans	-117.9	19.4	-170.5	-64.8	-83	0	0	0	113.6	W458 L459 G464 L465	W458-N462 HydrophobicContact CD2-CB 4.32Å; W458-N462 HydrophobicContact CE3-CB 4.4Å; W458-N462 HydrophobicContact CH2-CB 4.07Å; W458-N462 HydrophobicContact CZ2-CB 3.97Å; W458-N462 HydrophobicContact CZ3-CB 4.28Å; W458-N462 PolarHBondContact NE1-ND2 3.2Å; W458-N462 WeakPolarHBondContact O-CB 3.48Å; W458-N462 PolarHBondContact O-N 2.89Å; W458-N462 PolarHBondContact O-ND2 3.04Å; L459-N462 CarbonylContact O-C 3.54Å; L459-N462 PolarHBondContact O-N 2.82Å; N462-G464 PolarHBondContact O-N 3.06Å; N462-G464 VanDerWaalsContact O-N 3.08Å; N462-L465 HydrophobicContact CB-CD1 3.87Å; N462-L465 HydrophobicContact CB-CG 4.16Å; N462-L465 WeakPolarHBondContact O-CB 3.48Å; N462-L465 PolarHBondContact O-N 3.3Å
463	R	83.3	Confident	87.8	Confident	110 Å²	110	51.6 Å²	51.6	42%	0.415	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-53.4	-32.2	-179.7	-84	-170.5	176.1	-89	-1	113.4	L459 L465 F466 V470 E472	L459-R463 WeakPolarHBondContact O-CG 3.46Å; L459-R463 PolarHBondContact O-N 2.94Å; R463-L465 PolarHBondContact O-N 2.86Å; R463-F466 PolarHBondContact O-N 3.28Å; R463-V470 PolarHBondContact NH1-O 3.36Å; R463-E472 VanDerWaalsContact NH2-CG 3.32Å; R463-E472 IonicContact NH2-OE1 3.89Å; R463-E472 PolarHBondContact NH2-OE1 3.27Å
464	G	82.6	Confident	87.8	Confident	83 Å²	83	50 Å²	50	86%	0.856	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-71.5	0.9	176.6	0	0	0	0	0	115.8	N462	N462-G464 PolarHBondContact O-N 3.06Å; N462-G464 VanDerWaalsContact O-N 3.08Å
465	L	84.7	Confident	87.7	Confident	75 Å²	75	48.4 Å²	48.4	39%	0.393	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-85.8	-7.2	171.9	-62.5	-174.7	0	0	0	113.4	W458 N462 R463 K511	W458-L465 HydrophobicContact CH2-CD1 4.2Å; W458-L465 HydrophobicContact CZ2-CD1 4.17Å; N462-L465 HydrophobicContact CB-CD1 3.87Å; N462-L465 HydrophobicContact CB-CG 4.16Å; N462-L465 WeakPolarHBondContact O-CB 3.48Å; N462-L465 PolarHBondContact O-N 3.3Å; R463-L465 PolarHBondContact O-N 2.86Å; L465-K511 VanDerWaalsContact O-CE 3.3Å; L465-K511 WeakPolarHBondContact O-CE 3.2Å; L465-K511 PolarHBondContact O-NZ 2.85Å
466	F	88.6	Confident	87.6	Confident	25 Å²	25	49.9 Å²	49.9	11%	0.11	25%	0.254	C	S	.	.			trans	-113.7	143.9	-172.3	-56.6	-73.1	0	0	0	111.7	W458 L459 R463 V470 F503 D508 K511 F512	W458-F466 HydrophobicContact CH2-CE2 4.46Å; W458-F466 HydrophobicContact CH2-CZ 4.04Å; W458-F466 HydrophobicContact CZ3-CE2 4.16Å; W458-F466 AromaticContact CZ3-CZ 3.85Å; W458-F466 HydrophobicContact CZ3-CZ 3.85Å; L459-F466 HydrophobicContact CD1-CD2 4.11Å; L459-F466 HydrophobicContact CD1-CE2 3.66Å; L459-F466 HydrophobicContact CD1-CZ 4.42Å; R463-F466 PolarHBondContact O-N 3.28Å; F466-V470 HydrophobicContact CB-CG2 3.75Å; F466-V470 HydrophobicContact CD1-CG2 4.33Å; F466-V470 HydrophobicContact CD2-CG2 4.2Å; F466-V470 HydrophobicContact CG-CG2 3.82Å; F466-F503 HydrophobicContact CD1-CE1 4.46Å; F466-F503 HydrophobicContact CE1-CE1 4.33Å; F466-D508 WeakPolarHBondContact CA-OD1 3.23Å; F466-D508 HydrophobicContact CB-CB 4.39Å; F466-D508 WeakPolarHBondContact CB-OD1 3.14Å; F466-D508 HydrophobicContact CD1-CB 3.75Å; F466-D508 WeakPolarHBondContact CE1-O 3.12Å; F466-K511 HydrophobicContact CE1-CB 4.41Å; F466-K511 HydrophobicContact CE1-CD 4.47Å; F466-K511 HydrophobicContact CE1-CG 4.45Å; F466-F512 HydrophobicContact CE1-CB 3.86Å; F466-F512 HydrophobicContact CZ-CB 4.01Å; F466-F512 HydrophobicContact CZ-CD2 4.1Å
467	E	84.8	Confident	87.4	Confident	141 Å²	141	51.5 Å²	51.5	66%	0.659	26%	0.264	S	S	*	.	S	Bend	trans	-95	-33	-175.9	-69.3	175.5	-161.3	0	0	112.8	R505 D508	E467-R505 VanDerWaalsContact CB-NH1 3.3Å; E467-R505 IonicContact OE2-CZ 3.74Å; E467-R505 VanDerWaalsContact OE2-CZ 3.31Å; E467-R505 IonicContact OE2-NH1 2.85Å; E467-R505 PolarHBondContact OE2-NH1 3.34Å; E467-R505 IonicContact OE2-NH2 2.77Å; E467-R505 PolarHBondContact OE2-NH2 2.73Å; E467-R505 VanDerWaalsContact OE2-NH2 3.15Å; E467-D508 PolarHBondContact N-OD1 3.48Å; E467-D508 PolarHBondContact N-OD2 3Å
468	G	83.9	Confident	87.3	Confident	14 Å²	14	48.3 Å²	48.3	14%	0.144	25%	0.249	C	C	.	.	S	Bend	trans	-100.4	173.8	173.9	0	0	0	0	0	114	V470 D508	G468-V470 PolarHBondContact O-N 2.89Å; G468-D508 PolarHBondContact N-OD2 2.74Å
469	N	86.8	Confident	87.1	Confident	84 Å²	84	48.8 Å²	48.8	45%	0.449	25%	0.254	S	S	.	.			trans	-61.7	128.5	176	-73.6	-24.8	0	0	0	111.5	Q504 E564	N469-Q504 HydrophobicContact CB-CB 4.04Å; N469-Q504 WeakPolarHBondContact O-CB 3.48Å; N469-Q504 PolarHBondContact O-N 3.45Å; N469-E564 WeakPolarHBondContact CB-OE1 3.46Å; N469-E564 PolarHBondContact ND2-OE1 2.89Å
470	V	90.5	Very high	87	Confident	9 Å²	9	48.8 Å²	48.8	6%	0.055	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.2	172.1	-170.7	0	0	0	0	110.2	L459 R463 F466 G468 F503	L459-V470 HydrophobicContact CD1-CB 4.42Å; L459-V470 HydrophobicContact CD1-CG1 3.86Å; L459-V470 HydrophobicContact CD2-CG1 3.88Å; R463-V470 PolarHBondContact NH1-O 3.36Å; F466-V470 HydrophobicContact CB-CG2 3.75Å; F466-V470 HydrophobicContact CD1-CG2 4.33Å; F466-V470 HydrophobicContact CD2-CG2 4.2Å; F466-V470 HydrophobicContact CG-CG2 3.82Å; G468-V470 PolarHBondContact O-N 2.89Å; V470-F503 HydrophobicContact CB-CD1 4.23Å; V470-F503 HydrophobicContact CB-CE1 4.15Å; V470-F503 HydrophobicContact CG1-CD1 3.71Å; V470-F503 HydrophobicContact CG1-CE1 3.31Å; V470-F503 HydrophobicContact CG1-CE2 4.29Å; V470-F503 HydrophobicContact CG1-CG 4.33Å; V470-F503 HydrophobicContact CG1-CZ 3.6Å; V470-F503 HydrophobicContact CG2-CD1 3.58Å; V470-F503 HydrophobicContact CG2-CE1 3.68Å
471	H	90.1	Very high	86.7	Confident	31 Å²	31	49.2 Å²	49.2	14%	0.144	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	145.6	178.7	-63.8	-64.6	0	0	0	111.7	V502 P562 E564 V565	H471-V502 HydrophobicContact CB-CB 4.25Å; H471-V502 PolarHBondContact N-O 3.27Å; H471-V502 PolarHBondContact O-N 3.12Å; H471-P562 WeakPolarHBondContact CE1-CB 3.43Å; H471-E564 IonicContact CD2-OE2 2.66Å; H471-E564 IonicContact CE1-OE2 3.78Å; H471-E564 IonicContact NE2-OE1 3.75Å; H471-E564 IonicContact NE2-OE2 3.67Å; H471-E564 PolarHBondContact NE2-OE2 3.4Å; H471-V565 HydrophobicContact CB-CG2 3.89Å
472	E	91	Very high	86.4	Confident	31 Å²	31	43.6 Å²	43.6	15%	0.145	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-69.4	168.7	175.6	-52.8	-167.6	170.1	0	0	110.2	L456 R460 R463 M474 V477	L456-E472 HydrophobicContact CD1-CB 3.82Å; L456-E472 HydrophobicContact CD1-CG 3.76Å; L456-E472 WeakPolarHBondContact CD1-OE2 3.28Å; R460-E472 WeakPolarHBondContact CG-OE1 3.37Å; R460-E472 IonicContact CZ-OE1 3.83Å; R460-E472 IonicContact CZ-OE2 3.66Å; R460-E472 IonicContact NE-OE1 3.96Å; R460-E472 PolarHBondContact NE-OE1 3.41Å; R460-E472 IonicContact NE-OE2 2.66Å; R460-E472 PolarHBondContact NE-OE2 2.92Å; R460-E472 IonicContact NH2-OE1 3.02Å; R460-E472 IonicContact NH2-OE2 2.66Å; R460-E472 PolarHBondContact NH2-OE2 2.84Å; R463-E472 VanDerWaalsContact NH2-CG 3.32Å; R463-E472 IonicContact NH2-OE1 3.89Å; R463-E472 PolarHBondContact NH2-OE1 3.27Å; E472-M474 PolarHBondContact O-N 3.01Å; E472-V477 HydrophobicContact CB-CG2 3.8Å; E472-V477 WeakPolarHBondContact O-CG2 3.47Å
473	P	90.4	Very high	86.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-51.4	130.6	-175.2	-30.1	38.5	0	0	0	111.9	L445 T452 M475 L476 A500 F501	L445-P473 HydrophobicContact CD2-CG 4.42Å; T452-P473 HydrophobicContact CG2-CB 4.44Å; T452-P473 HydrophobicContact CG2-CG 3.81Å; P473-M475 HydrophobicContact CB-CG 4.31Å; P473-M475 PolarHBondContact O-N 3.06Å; P473-L476 PolarHBondContact O-N 3.44Å; P473-A500 WeakPolarHBondContact CA-O 3.09Å; P473-F501 VanDerWaalsContact CD-CE1 3.48Å; P473-F501 HydrophobicContact CG-CD1 4.06Å; P473-F501 HydrophobicContact CG-CD2 4.43Å; P473-F501 HydrophobicContact CG-CE1 3.69Å; P473-F501 HydrophobicContact CG-CE2 4.07Å; P473-F501 HydrophobicContact CG-CG 4.42Å; P473-F501 HydrophobicContact CG-CZ 3.68Å
474	M	88.8	Confident	85.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-49.2	-36	-168.3	-55.9	-173.5	-164.7	0	0	113.4	E472 L476 V477 V478 L498 A500 V502 I527 V565 Y568 L569	E472-M474 PolarHBondContact O-N 3.01Å; M474-L476 PolarHBondContact O-N 3.2Å; M474-V477 PolarHBondContact O-N 3Å; M474-V478 HydrophobicContact CB-CG2 4.37Å; M474-V478 WeakPolarHBondContact O-CB 3.31Å; M474-V478 WeakPolarHBondContact O-CG2 3.47Å; M474-V478 PolarHBondContact O-N 2.76Å; M474-L498 PolarHBondContact N-O 3.06Å; M474-A500 HydrophobicContact CE-CB 4.45Å; M474-A500 PolarHBondContact N-O 3.06Å; M474-V502 HydrophobicContact CE-CG2 3.43Å; M474-V502 VanDerWaalsContact CE-CG2 3.43Å; M474-V502 HydrophobicContact CG-CG2 3.8Å; M474-V502 HydrophobicContact SD-CG2 4.34Å; M474-I527 HydrophobicContact CE-CD1 3.83Å; M474-V565 HydrophobicContact CB-CG1 4.36Å; M474-V565 HydrophobicContact CG-CG1 3.94Å; M474-V565 HydrophobicContact SD-CG1 4.11Å; M474-Y568 HydrophobicContact CE-CD1 3.52Å; M474-Y568 HydrophobicContact CE-CE1 3.79Å; M474-Y568 HydrophobicContact CE-CG 4.46Å; M474-L569 HydrophobicContact SD-CD2 3.98Å; M474-L569 HydrophobicContact SD-CG 4.39Å
475	M	85.7	Confident	86.1	Confident	7 Å²	7	44.8 Å²	44.8	3%	0.034	23%	0.229	C	C	.	.	H	α-helix	trans	-60.8	-18.9	176.7	64	-173.1	-69.6	0	0	116.2	L445 P473 L498 R499 Y631	L445-M475 HydrophobicContact CB-CE 4.49Å; L445-M475 HydrophobicContact CD1-CE 4.26Å; L445-M475 HydrophobicContact CD1-SD 3.83Å; P473-M475 HydrophobicContact CB-CG 4.31Å; P473-M475 PolarHBondContact O-N 3.06Å; M475-L498 HydrophobicContact CB-CB 4.42Å; M475-L498 WeakPolarHBondContact CB-O 3.43Å; M475-L498 WeakPolarHBondContact CG-O 3.38Å; M475-L498 PolarHBondContact N-O 2.87Å; M475-R499 HydrophobicContact SD-CB 4.49Å; M475-R499 HydrophobicContact SD-CG 4.42Å; M475-Y631 HydrophobicContact CE-CD1 3.41Å; M475-Y631 VanDerWaalsContact CE-CD1 3.41Å; M475-Y631 HydrophobicContact CE-CE1 3.98Å; M475-Y631 HydrophobicContact CE-CG 3.83Å
476	L	85.4	Confident	86.2	Confident	31 Å²	31	41.2 Å²	41.2	16%	0.162	21%	0.211	C	C	.	.	H	α-helix	trans	-91.6	-28.7	171.9	-58	-175.1	0	0	0	112.1	K441 L445 L456 P473 M474	K441-L476 HydrophobicContact CB-CD2 3.74Å; L445-L476 HydrophobicContact CD2-CD1 4.03Å; L445-L476 HydrophobicContact CD2-CG 4.47Å; L456-L476 HydrophobicContact CD2-CD1 3.48Å; L456-L476 VanDerWaalsContact CD2-CD1 3.48Å; P473-L476 PolarHBondContact O-N 3.44Å; M474-L476 PolarHBondContact O-N 3.2Å
477	V	86	Confident	86.2	Confident	35 Å²	35	42.1 Å²	42.1	21%	0.212	22%	0.215	C	C	.	.	H	α-helix	trans	-98.2	-29.1	-167.1	175.7	0	0	0	0	112.6	E472 M474 P562 V565	E472-V477 HydrophobicContact CB-CG2 3.8Å; E472-V477 WeakPolarHBondContact O-CG2 3.47Å; M474-V477 PolarHBondContact O-N 3Å; V477-P562 HydrophobicContact CG1-CG 3.52Å; V477-V565 HydrophobicContact CG1-CG2 4.37Å
478	V	87.6	Confident	86.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.			trans	-71.6	127	169.5	168.9	0	0	0	0	109.1	M474 F559 A561 L569 L632	M474-V478 HydrophobicContact CB-CG2 4.37Å; M474-V478 WeakPolarHBondContact O-CB 3.31Å; M474-V478 WeakPolarHBondContact O-CG2 3.47Å; M474-V478 PolarHBondContact O-N 2.76Å; V478-F559 HydrophobicContact CG1-CB 4.17Å; V478-F559 HydrophobicContact CG1-CD2 3.71Å; V478-F559 HydrophobicContact CG1-CE2 4.47Å; V478-F559 HydrophobicContact CG1-CG 4.2Å; V478-F559 HydrophobicContact CG2-CD2 4.47Å; V478-A561 HydrophobicContact CG2-CB 4.06Å; V478-L569 HydrophobicContact CG2-CD1 4.47Å; V478-L632 HydrophobicContact CB-CD2 4.16Å; V478-L632 HydrophobicContact CG1-CD1 4.3Å; V478-L632 HydrophobicContact CG1-CD2 4.06Å
479	N	85.6	Confident	86.7	Confident	41 Å²	41	35.6 Å²	35.6	22%	0.219	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.8	172	-166.2	52	0	0	0	109.4	F559 D560 T635 V636	N479-F559 CarbonylContact O-C 3.48Å; N479-F559 WeakPolarHBondContact O-CA 3.37Å; N479-F559 WeakPolarHBondContact O-CB 3.48Å; N479-D560 PolarHBondContact N-O 3Å; N479-D560 PolarHBondContact O-N 2.76Å; N479-T635 WeakPolarHBondContact OD1-CA 3.16Å; N479-V636 PolarHBondContact ND2-O 2.85Å; N479-V636 VanDerWaalsContact ND2-O 3.12Å; N479-V636 PolarHBondContact OD1-N 3.25Å; N479-V636 PolarHBondContact OD1-O 2.87Å
480	V	85.8	Confident	86.8	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.4	179	-168.6	0	0	0	0	108.6	T482 F485 A486 M558 F559 L632 T635	V480-T482 VanDerWaalsContact C-N 3.33Å; V480-T482 VanDerWaalsContact CG1-O 3.24Å; V480-T482 WeakPolarHBondContact CG1-O 3.46Å; V480-T482 PolarHBondContact O-N 3.16Å; V480-F485 HydrophobicContact CG1-CB 3.83Å; V480-A486 HydrophobicContact CB-CB 4.44Å; V480-A486 HydrophobicContact CG1-CB 4.33Å; V480-A486 HydrophobicContact CG2-CB 4.04Å; V480-M558 VanDerWaalsContact CG1-O 3.32Å; V480-M558 WeakPolarHBondContact CG1-O 3.43Å; V480-F559 HydrophobicContact CB-CB 4.49Å; V480-F559 HydrophobicContact CG2-CB 4.3Å; V480-L632 HydrophobicContact CG2-CB 3.94Å; V480-L632 HydrophobicContact CG2-CD1 4.43Å; V480-T635 WeakPolarHBondContact O-CG2 3.4Å
481	K	83.1	Confident	86.8	Confident	98 Å²	98	34 Å²	34	43%	0.426	17%	0.17	S	C	.	.	S	Bend	trans	-67.6	-33.9	-176	-64.8	177.5	-173.6	161.8	0	112.6	E557 M558 D560	K481-E557 WeakPolarHBondContact CD-O 3.45Å; K481-E557 WeakPolarHBondContact CE-O 3.34Å; K481-E557 PolarHBondContact NZ-O 2.9Å; K481-M558 PolarHBondContact N-O 3.42Å; K481-D560 WeakPolarHBondContact CE-OD1 3.49Å; K481-D560 WeakPolarHBondContact CE-OD2 3.15Å; K481-D560 IonicContact NZ-OD1 2.76Å; K481-D560 PolarHBondContact NZ-OD1 2.82Å; K481-D560 IonicContact NZ-OD2 3.66Å
482	T	81.8	Confident	86.8	Confident	51 Å²	51	33 Å²	33	31%	0.313	17%	0.165	S	C	.	.	S	Bend	trans	-133.7	131.7	176.3	-48.1	0	0	0	0	109.3	V480 E484 F485	V480-T482 VanDerWaalsContact C-N 3.33Å; V480-T482 VanDerWaalsContact CG1-O 3.24Å; V480-T482 WeakPolarHBondContact CG1-O 3.46Å; V480-T482 PolarHBondContact O-N 3.16Å; T482-E484 HydrophobicContact CG2-CB 4.22Å; T482-E484 HydrophobicContact CG2-CG 4.34Å; T482-E484 PolarHBondContact O-N 3.17Å; T482-E484 VanDerWaalsContact O-N 3.09Å; T482-F485 PolarHBondContact O-N 3.33Å; T482-F485 WeakPolarHBondContact OG1-CE2 3.31Å
483	P	81.5	Confident	86.8	Confident	66 Å²	66	31.7 Å²	31.7	43%	0.429	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-53.9	-32.2	-179.9	-28.2	35	0	0	0	114.5	F485 A486 T635	P483-F485 VanDerWaalsContact C-N 3.29Å; P483-F485 PolarHBondContact O-N 2.95Å; P483-A486 WeakPolarHBondContact O-CB 3.39Å; P483-A486 PolarHBondContact O-N 3.03Å; P483-A486 VanDerWaalsContact O-N 3.17Å; P483-T635 HydrophobicContact CG-CG2 4.04Å
484	E	80.4	Confident	86.8	Confident	147 Å²	147	34.2 Å²	34.2	69%	0.687	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-61	-33.6	176.6	-63	179	-174.2	0	0	113.4	T482 A486	T482-E484 HydrophobicContact CG2-CB 4.22Å; T482-E484 HydrophobicContact CG2-CG 4.34Å; T482-E484 PolarHBondContact O-N 3.17Å; T482-E484 VanDerWaalsContact O-N 3.09Å; E484-A486 VanDerWaalsContact C-N 3.26Å; E484-A486 PolarHBondContact O-N 3.18Å
485	F	86.6	Confident	86.6	Confident	53 Å²	53	37.7 Å²	37.7	23%	0.232	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-76.9	-14.6	179.7	-58	-26.6	0	0	0	112.9	V480 T482 P483 K487 Y488 V489 F552 M558	V480-F485 HydrophobicContact CG1-CB 3.83Å; T482-F485 PolarHBondContact O-N 3.33Å; T482-F485 WeakPolarHBondContact OG1-CE2 3.31Å; P483-F485 VanDerWaalsContact C-N 3.29Å; P483-F485 PolarHBondContact O-N 2.95Å; F485-K487 PolarHBondContact O-N 3.08Å; F485-K487 VanDerWaalsContact O-N 3.15Å; F485-Y488 HydrophobicContact CD1-CE2 4.39Å; F485-Y488 PolarHBondContact O-N 3.3Å; F485-V489 PolarHBondContact O-N 3.49Å; F485-F552 HydrophobicContact CE1-CE2 4.36Å; F485-M558 HydrophobicContact CB-CB 3.92Å; F485-M558 HydrophobicContact CB-CG 4.09Å; F485-M558 HydrophobicContact CB-SD 3.8Å; F485-M558 HydrophobicContact CD1-CE 3.91Å; F485-M558 HydrophobicContact CD1-SD 4.29Å; F485-M558 HydrophobicContact CD2-CB 4.05Å; F485-M558 HydrophobicContact CD2-CG 3.97Å; F485-M558 HydrophobicContact CE1-CE 4.28Å; F485-M558 HydrophobicContact CG-CB 4.23Å; F485-M558 HydrophobicContact CG-CE 4.12Å; F485-M558 HydrophobicContact CG-CG 4.03Å; F485-M558 HydrophobicContact CG-SD 3.96Å
486	A	86.1	Confident	86.7	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-29.3	-177.2	0	0	0	0	0	112	V480 P483 E484 Y488 V489 E490 S629 L632	V480-A486 HydrophobicContact CB-CB 4.44Å; V480-A486 HydrophobicContact CG1-CB 4.33Å; V480-A486 HydrophobicContact CG2-CB 4.04Å; P483-A486 WeakPolarHBondContact O-CB 3.39Å; P483-A486 PolarHBondContact O-N 3.03Å; P483-A486 VanDerWaalsContact O-N 3.17Å; E484-A486 VanDerWaalsContact C-N 3.26Å; E484-A486 PolarHBondContact O-N 3.18Å; A486-Y488 VanDerWaalsContact C-N 3.33Å; A486-Y488 PolarHBondContact O-N 3.23Å; A486-V489 PolarHBondContact O-N 3.05Å; A486-E490 VanDerWaalsContact O-CB 3.26Å; A486-E490 WeakPolarHBondContact O-CB 3.26Å; A486-E490 PolarHBondContact O-N 2.92Å; A486-S629 WeakPolarHBondContact CB-OG 3.34Å; A486-L632 HydrophobicContact CB-CB 3.92Å
487	K	88.8	Confident	86.9	Confident	44 Å²	44	41.3 Å²	41.3	19%	0.191	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-40.3	175.1	72.7	176.3	175.1	166.1	0	112.2	F485 N491 T604 D605 V626	F485-K487 PolarHBondContact O-N 3.08Å; F485-K487 VanDerWaalsContact O-N 3.15Å; K487-N491 WeakPolarHBondContact O-CB 3.29Å; K487-N491 PolarHBondContact O-N 3.37Å; K487-N491 VanDerWaalsContact O-N 3.14Å; K487-N491 PolarHBondContact O-ND2 2.78Å; K487-T604 WeakPolarHBondContact CE-O 3.46Å; K487-T604 PolarHBondContact NZ-O 3.1Å; K487-D605 IonicContact NZ-OD1 3.69Å; K487-D605 PolarHBondContact NZ-OD1 3.32Å; K487-V626 HydrophobicContact CB-CG1 4.02Å; K487-V626 HydrophobicContact CD-CG1 4Å; K487-V626 HydrophobicContact CG-CG1 3.86Å
488	Y	89.8	Confident	87	Confident	18 Å²	18	39.7 Å²	39.7	7%	0.071	20%	0.199	C	C	.	.	H	α-helix	trans	-70.2	-43.7	-179	-54	-60.1	0	0	0	111.5	F485 A486 H492 M558 V580 Y602 T603 T604 V626	F485-Y488 HydrophobicContact CD1-CE2 4.39Å; F485-Y488 PolarHBondContact O-N 3.3Å; A486-Y488 VanDerWaalsContact C-N 3.33Å; A486-Y488 PolarHBondContact O-N 3.23Å; Y488-H492 VanDerWaalsContact O-CB 3.32Å; Y488-H492 WeakPolarHBondContact O-CB 3.46Å; Y488-H492 PolarHBondContact O-N 2.93Å; Y488-M558 HydrophobicContact CD2-CE 3.88Å; Y488-M558 HydrophobicContact CD2-SD 3.74Å; Y488-M558 HydrophobicContact CE2-CE 4.21Å; Y488-M558 HydrophobicContact CG-SD 4.38Å; Y488-V580 HydrophobicContact CD1-CG1 4.14Å; Y488-V580 HydrophobicContact CD2-CG1 3.99Å; Y488-V580 HydrophobicContact CE1-CG1 4.08Å; Y488-V580 HydrophobicContact CE2-CG1 3.92Å; Y488-V580 HydrophobicContact CG-CG1 4.1Å; Y488-Y602 AromaticContact CD1-CD1 3.79Å; Y488-Y602 HydrophobicContact CD1-CD1 3.79Å; Y488-Y602 HydrophobicContact CD1-CG 4.14Å; Y488-T603 WeakPolarHBondContact CE1-O 3.41Å; Y488-T604 PolarHBondContact OH-O 3.09Å; Y488-V626 HydrophobicContact CD1-CG1 4.08Å; Y488-V626 HydrophobicContact CE1-CG1 4.35Å
489	V	88.8	Confident	87.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-46.8	179.6	-174.4	0	0	0	0	111	F485 A486 N491 H492 I493 L555 M558 F559 L632	F485-V489 PolarHBondContact O-N 3.49Å; A486-V489 PolarHBondContact O-N 3.05Å; V489-N491 PolarHBondContact O-N 2.77Å; V489-H492 PolarHBondContact O-N 2.82Å; V489-H492 VanDerWaalsContact O-N 3.16Å; V489-I493 HydrophobicContact CG1-CD1 3.78Å; V489-I493 PolarHBondContact O-N 3.06Å; V489-L555 HydrophobicContact CG2-CD1 3.89Å; V489-M558 HydrophobicContact CG2-CB 4.5Å; V489-F559 HydrophobicContact CB-CD1 4.45Å; V489-F559 HydrophobicContact CG1-CD1 3.99Å; V489-F559 HydrophobicContact CG1-CE1 4.14Å; V489-F559 HydrophobicContact CG1-CG 4.22Å; V489-F559 HydrophobicContact CG2-CB 4.29Å; V489-F559 HydrophobicContact CG2-CD1 3.53Å; V489-F559 HydrophobicContact CG2-CE1 4.16Å; V489-F559 HydrophobicContact CG2-CG 4.13Å; V489-L632 HydrophobicContact CB-CD1 4.03Å; V489-L632 HydrophobicContact CG1-CD1 3.68Å
490	E	89.7	Confident	87.4	Confident	26 Å²	26	39.8 Å²	39.8	12%	0.121	20%	0.196	C	C	.	.	H	α-helix	trans	-71.4	-27.5	-176.3	-159.1	174.4	122.4	0	0	113.4	A486 L498 S629 Q630 Y631 L632	A486-E490 VanDerWaalsContact O-CB 3.26Å; A486-E490 WeakPolarHBondContact O-CB 3.26Å; A486-E490 PolarHBondContact O-N 2.92Å; E490-L498 HydrophobicContact CG-CD1 4.02Å; E490-S629 WeakPolarHBondContact OE2-CB 3.26Å; E490-S629 PolarHBondContact OE2-OG 3.47Å; E490-Q630 PolarHBondContact OE1-N 2.92Å; E490-Q630 PolarHBondContact OE2-N 2.86Å; E490-Y631 HydrophobicContact CG-CD2 4.48Å; E490-Y631 WeakPolarHBondContact OE1-CD2 3.47Å; E490-Y631 PolarHBondContact OE1-N 3.17Å; E490-Y631 PolarHBondContact OE2-N 2.82Å; E490-L632 HydrophobicContact CB-CD1 4.2Å; E490-L632 PolarHBondContact OE2-N 3.46Å
491	N	89.4	Confident	87.8	Confident	34 Å²	34	39.8 Å²	39.8	18%	0.182	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-0.8	172.9	-72.4	-103.3	0	0	0	113.2	K487 V489 Y602 R607 V626 H627	K487-N491 WeakPolarHBondContact O-CB 3.29Å; K487-N491 PolarHBondContact O-N 3.37Å; K487-N491 VanDerWaalsContact O-N 3.14Å; K487-N491 PolarHBondContact O-ND2 2.78Å; V489-N491 PolarHBondContact O-N 2.77Å; N491-Y602 PolarHBondContact O-OH 3.45Å; N491-R607 PolarHBondContact O-NH1 3.42Å; N491-V626 HydrophobicContact CB-CG1 4.34Å; N491-H627 PolarHBondContact ND2-N 3.44Å; N491-H627 PolarHBondContact ND2-O 2.86Å; N491-H627 PolarHBondContact OD1-N 3.16Å
492	H	90.8	Very high	88.2	Confident	9 Å²	9	35.1 Å²	35.1	4%	0.042	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-50.6	178.7	-164.7	69.6	0	0	0	112.6	Y488 V489 L555 Y573 V578 V600 Y602 R607	Y488-H492 VanDerWaalsContact O-CB 3.32Å; Y488-H492 WeakPolarHBondContact O-CB 3.46Å; Y488-H492 PolarHBondContact O-N 2.93Å; V489-H492 PolarHBondContact O-N 2.82Å; V489-H492 VanDerWaalsContact O-N 3.16Å; H492-L555 HydrophobicContact CB-CD2 3.55Å; H492-L555 VanDerWaalsContact CG-CD2 3.41Å; H492-Y573 WeakPolarHBondContact O-CD1 3.45Å; H492-V578 WeakPolarHBondContact NE2-CG2 3.37Å; H492-V600 WeakPolarHBondContact NE2-CG1 3.35Å; H492-Y602 WeakPolarHBondContact CA-OH 3.47Å; H492-Y602 HydrophobicContact CB-CE2 4.39Å; H492-Y602 VanDerWaalsContact CB-OH 3.23Å; H492-Y602 WeakPolarHBondContact CB-OH 3.23Å; H492-Y602 AromaticContact CE1-CE2 2.7Å; H492-Y602 WeakPolarHBondContact CE1-CE2 3.43Å; H492-Y602 AromaticContact CE1-CZ 2.77Å; H492-Y602 PolarHBondContact CE1-OH 3.13Å; H492-Y602 PolarHBondContact N-OH 3.01Å; H492-Y602 AromaticContact ND1-CE2 3.46Å; H492-Y602 WeakPolarHBondContact ND1-CE2 3.45Å; H492-Y602 AromaticContact ND1-CZ 3.67Å; H492-Y602 PolarHBondContact ND1-OH 3.3Å; H492-R607 VanDerWaalsContact CE1-CZ 3.44Å; H492-R607 PolarHBondContact O-NH1 2.88Å
493	I	90.8	Very high	88.8	Confident	5 Å²	5	32.7 Å²	32.7	3%	0.026	16%	0.161	C	C	.	.	S	Bend	trans	-80.6	137.6	-178.5	-51.8	168.4	0	0	0	108.7	V489 F495 D497 L498 L569 Y573	V489-I493 HydrophobicContact CG1-CD1 3.78Å; V489-I493 PolarHBondContact O-N 3.06Å; I493-F495 PolarHBondContact O-N 3.22Å; I493-D497 HydrophobicContact CG2-CB 4.36Å; I493-L498 HydrophobicContact CB-CD1 4.48Å; I493-L498 HydrophobicContact CB-CD2 3.98Å; I493-L498 HydrophobicContact CB-CG 3.96Å; I493-L498 HydrophobicContact CD1-CD2 3.91Å; I493-L498 HydrophobicContact CG2-CD2 3.91Å; I493-L498 HydrophobicContact CG2-CG 3.8Å; I493-L569 HydrophobicContact CD1-CD1 3.9Å; I493-L569 HydrophobicContact CD1-CD2 3.61Å; I493-L569 HydrophobicContact CD1-CG 4.39Å; I493-L569 HydrophobicContact CG1-CD2 3.89Å; I493-L569 HydrophobicContact CG2-CD2 3.92Å; I493-Y573 HydrophobicContact CG2-CD2 4.32Å; I493-Y573 HydrophobicContact CG2-CE1 4.46Å; I493-Y573 HydrophobicContact CG2-CE2 3.95Å
494	S	89.5	Confident	89.2	Confident	53 Å²	53	34.1 Å²	34.1	37%	0.371	16%	0.162	S	C	.	.			trans	-59.6	135.7	173.9	-178.8	0	0	0	0	110.3	H496 D497 L498 Y573	S494-H496 PolarHBondContact O-N 3.19Å; S494-H496 VanDerWaalsContact O-N 3.13Å; S494-H496 PolarHBondContact OG-N 3.38Å; S494-D497 PolarHBondContact O-N 3.24Å; S494-L498 PolarHBondContact O-N 2.85Å; S494-Y573 WeakPolarHBondContact CB-OH 3.46Å; S494-Y573 PolarHBondContact N-OH 3.34Å; S494-Y573 VanDerWaalsContact N-OH 3.08Å
495	F	85.8	Confident	89.5	Confident	72 Å²	72	31.4 Å²	31.4	32%	0.316	15%	0.146	S	C	.	.	H	α-helix	trans	-59.1	-26.9	175.6	-177.4	-112.7	0	0	0	112.9	H449 I493 D497 L498 R499 Y631	H449-F495 AromaticContact CD2-CZ 3.7Å; H449-F495 AromaticContact NE2-CE1 3.23Å; H449-F495 WeakPolarHBondContact NE2-CE1 3.45Å; H449-F495 AromaticContact NE2-CZ 3.23Å; H449-F495 WeakPolarHBondContact NE2-CZ 3.46Å; I493-F495 PolarHBondContact O-N 3.22Å; F495-D497 VanDerWaalsContact C-N 3.29Å; F495-D497 PolarHBondContact O-N 3.4Å; F495-L498 HydrophobicContact CD2-CD1 4.46Å; F495-R499 PolarHBondContact O-N 3.03Å; F495-Y631 HydrophobicContact CD2-CD2 4.24Å; F495-Y631 AromaticContact CD2-CE2 3.76Å; F495-Y631 HydrophobicContact CD2-CE2 3.76Å; F495-Y631 AromaticContact CE2-CD2 3.76Å; F495-Y631 HydrophobicContact CE2-CD2 3.76Å; F495-Y631 HydrophobicContact CE2-CE1 4.19Å; F495-Y631 AromaticContact CE2-CE2 3.16Å; F495-Y631 HydrophobicContact CE2-CE2 3.16Å; F495-Y631 HydrophobicContact CE2-CG 4.48Å; F495-Y631 AromaticContact CE2-CZ 3.4Å; F495-Y631 HydrophobicContact CZ-CE1 4.37Å; F495-Y631 AromaticContact CZ-CE2 3.82Å; F495-Y631 HydrophobicContact CZ-CE2 3.82Å; F495-Y631 AromaticContact CZ-CZ 3.58Å; F495-Y631 VanDerWaalsContact CZ-OH 3.27Å; F495-Y631 WeakPolarHBondContact CZ-OH 3.26Å
496	H	87.3	Confident	89.6	Confident	97 Å²	97	34.5 Å²	34.5	45%	0.449	16%	0.159	S	C	.	.	H	α-helix	trans	-64.4	-33.2	173	-172.9	-101.7	0	0	0	112.9	S494 N525	S494-H496 PolarHBondContact O-N 3.19Å; S494-H496 VanDerWaalsContact O-N 3.13Å; S494-H496 PolarHBondContact OG-N 3.38Å; H496-N525 PolarHBondContact CE1-ND2 3.31Å; H496-N525 PolarHBondContact ND1-ND2 3.44Å; H496-N525 PolarHBondContact O-ND2 2.75Å
497	D	90	Very high	89.8	Confident	18 Å²	18	38.8 Å²	38.8	10%	0.096	18%	0.182	C	C	.	.	H	α-helix	trans	-94.1	-30.9	-176.8	-59.2	-14.4	0	0	0	111.6	I493 S494 F495 R499 A500 N525 I527 Y573	I493-D497 HydrophobicContact CG2-CB 4.36Å; S494-D497 PolarHBondContact O-N 3.24Å; F495-D497 VanDerWaalsContact C-N 3.29Å; F495-D497 PolarHBondContact O-N 3.4Å; D497-R499 PolarHBondContact O-N 3.31Å; D497-R499 VanDerWaalsContact O-N 3.14Å; D497-A500 VanDerWaalsContact O-CB 3.23Å; D497-A500 WeakPolarHBondContact O-CB 3.41Å; D497-A500 PolarHBondContact O-N 3.5Å; D497-N525 PolarHBondContact OD1-ND2 3.48Å; D497-N525 VanDerWaalsContact OD1-ND2 3.13Å; D497-I527 HydrophobicContact CB-CD1 3.89Å; D497-Y573 HydrophobicContact CB-CE2 4.45Å; D497-Y573 PolarHBondContact OD2-OH 3.05Å
498	L	88.5	Confident	90	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-54	-29.6	164.4	-75.9	175.8	0	0	0	112	M474 M475 E490 I493 S494 F495 L632	M474-L498 PolarHBondContact N-O 3.06Å; M475-L498 HydrophobicContact CB-CB 4.42Å; M475-L498 WeakPolarHBondContact CB-O 3.43Å; M475-L498 WeakPolarHBondContact CG-O 3.38Å; M475-L498 PolarHBondContact N-O 2.87Å; E490-L498 HydrophobicContact CG-CD1 4.02Å; I493-L498 HydrophobicContact CB-CD1 4.48Å; I493-L498 HydrophobicContact CB-CD2 3.98Å; I493-L498 HydrophobicContact CB-CG 3.96Å; I493-L498 HydrophobicContact CD1-CD2 3.91Å; I493-L498 HydrophobicContact CG2-CD2 3.91Å; I493-L498 HydrophobicContact CG2-CG 3.8Å; S494-L498 PolarHBondContact O-N 2.85Å; F495-L498 HydrophobicContact CD2-CD1 4.46Å; L498-L632 HydrophobicContact CD2-CD1 4.35Å
499	R	89.8	Confident	90	Very high	43 Å²	43	37.5 Å²	37.5	16%	0.162	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	3.7	177.8	-158.1	-179.4	68.3	171	5.5	113.6	L445 H449 T452 M475 F495 D497	L445-R499 HydrophobicContact CD1-CG 4.32Å; H449-R499 PolarHBondContact ND1-NH1 3.01Å; H449-R499 VanDerWaalsContact ND1-NH1 3.19Å; T452-R499 HydrophobicContact CG2-CG 3.72Å; T452-R499 WeakPolarHBondContact OG1-CD 3.3Å; M475-R499 HydrophobicContact SD-CB 4.49Å; M475-R499 HydrophobicContact SD-CG 4.42Å; F495-R499 PolarHBondContact O-N 3.03Å; D497-R499 PolarHBondContact O-N 3.31Å; D497-R499 VanDerWaalsContact O-N 3.14Å
500	A	91.8	Very high	90.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.198	C	C	.	.			trans	-88.6	138.9	-175.7	0	0	0	0	0	113.3	P473 M474 D497 N525 I527	P473-A500 WeakPolarHBondContact CA-O 3.09Å; M474-A500 HydrophobicContact CE-CB 4.45Å; M474-A500 PolarHBondContact N-O 3.06Å; D497-A500 VanDerWaalsContact O-CB 3.23Å; D497-A500 WeakPolarHBondContact O-CB 3.41Å; D497-A500 PolarHBondContact O-N 3.5Å; A500-N525 WeakPolarHBondContact CA-O 3.41Å; A500-N525 HydrophobicContact CB-CB 4.03Å; A500-N525 WeakPolarHBondContact CB-ND2 3.44Å; A500-I527 HydrophobicContact CB-CB 4.43Å; A500-I527 HydrophobicContact CB-CD1 3.46Å; A500-I527 VanDerWaalsContact CB-CD1 3.46Å; A500-I527 HydrophobicContact CB-CG1 3.8Å
501	F	93.7	Very high	90.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	137.1	164.3	-61.8	-90.4	0	0	0	109.4	T452 A455 L456 L459 P473 F503 F512 V524 N525 S526 I527	T452-F501 HydrophobicContact CG2-CE2 3.91Å; T452-F501 HydrophobicContact CG2-CZ 4.19Å; A455-F501 HydrophobicContact CB-CE2 3.99Å; A455-F501 HydrophobicContact CB-CZ 3.92Å; L456-F501 HydrophobicContact CB-CE1 4.14Å; L456-F501 HydrophobicContact CB-CZ 4.03Å; L456-F501 HydrophobicContact CD1-CE1 4.25Å; L459-F501 HydrophobicContact CB-CE1 4.48Å; L459-F501 HydrophobicContact CD2-CD1 3.51Å; L459-F501 HydrophobicContact CD2-CE1 3.72Å; P473-F501 VanDerWaalsContact CD-CE1 3.48Å; P473-F501 HydrophobicContact CG-CD1 4.06Å; P473-F501 HydrophobicContact CG-CD2 4.43Å; P473-F501 HydrophobicContact CG-CE1 3.69Å; P473-F501 HydrophobicContact CG-CE2 4.07Å; P473-F501 HydrophobicContact CG-CG 4.42Å; P473-F501 HydrophobicContact CG-CZ 3.68Å; F501-F503 HydrophobicContact CB-CE2 3.61Å; F501-F503 HydrophobicContact CB-CZ 4.15Å; F501-F512 HydrophobicContact CB-CE1 4.46Å; F501-F512 HydrophobicContact CB-CZ 4.41Å; F501-F512 HydrophobicContact CD1-CZ 4.21Å; F501-F512 AromaticContact CD2-CE1 3.85Å; F501-F512 HydrophobicContact CD2-CE1 3.85Å; F501-F512 AromaticContact CD2-CZ 3.55Å; F501-F512 HydrophobicContact CD2-CZ 3.55Å; F501-F512 HydrophobicContact CE1-CZ 4.35Å; F501-F512 HydrophobicContact CE2-CE1 4.37Å; F501-F512 AromaticContact CE2-CZ 3.75Å; F501-F512 HydrophobicContact CE2-CZ 3.75Å; F501-F512 HydrophobicContact CG-CE1 4.22Å; F501-F512 HydrophobicContact CG-CE2 4.49Å; F501-F512 AromaticContact CG-CZ 3.8Å; F501-F512 HydrophobicContact CG-CZ 3.8Å; F501-F512 HydrophobicContact CZ-CZ 4.16Å; F501-V524 HydrophobicContact CE2-CB 4.46Å; F501-V524 HydrophobicContact CE2-CG1 4.31Å; F501-N525 PolarHBondContact N-O 3.25Å; F501-N525 VanDerWaalsContact N-O 3.16Å; F501-S526 WeakPolarHBondContact O-CA 3.46Å; F501-I527 PolarHBondContact O-N 2.8Å
502	V	92.4	Very high	90.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.7	-177.2	-174.3	0	0	0	0	110.5	H471 M474 I527 A529 V565	H471-V502 HydrophobicContact CB-CB 4.25Å; H471-V502 PolarHBondContact N-O 3.27Å; H471-V502 PolarHBondContact O-N 3.12Å; M474-V502 HydrophobicContact CE-CG2 3.43Å; M474-V502 VanDerWaalsContact CE-CG2 3.43Å; M474-V502 HydrophobicContact CG-CG2 3.8Å; M474-V502 HydrophobicContact SD-CG2 4.34Å; V502-I527 CarbonylContact C-O 3.59Å; V502-I527 WeakPolarHBondContact CA-O 3.23Å; V502-A529 HydrophobicContact CG1-CB 4.31Å; V502-V565 HydrophobicContact CB-CG2 4.05Å; V502-V565 HydrophobicContact CG1-CG2 4.33Å; V502-V565 HydrophobicContact CG2-CG2 4.09Å
503	F	92.8	Very high	90.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.1	-176	-65.2	-99	0	0	0	110.5	F466 V470 F501 R505 D508 M509 F512 I527 S528 A529	F466-F503 HydrophobicContact CD1-CE1 4.46Å; F466-F503 HydrophobicContact CE1-CE1 4.33Å; V470-F503 HydrophobicContact CB-CD1 4.23Å; V470-F503 HydrophobicContact CB-CE1 4.15Å; V470-F503 HydrophobicContact CG1-CD1 3.71Å; V470-F503 HydrophobicContact CG1-CE1 3.31Å; V470-F503 HydrophobicContact CG1-CE2 4.29Å; V470-F503 HydrophobicContact CG1-CG 4.33Å; V470-F503 HydrophobicContact CG1-CZ 3.6Å; V470-F503 HydrophobicContact CG2-CD1 3.58Å; V470-F503 HydrophobicContact CG2-CE1 3.68Å; F501-F503 HydrophobicContact CB-CE2 3.61Å; F501-F503 HydrophobicContact CB-CZ 4.15Å; F503-R505 WeakPolarHBondContact CB-O 3.28Å; F503-D508 HydrophobicContact CD1-CB 3.88Å; F503-M509 HydrophobicContact CB-CB 3.88Å; F503-M509 HydrophobicContact CD1-CB 4.2Å; F503-M509 HydrophobicContact CD2-CB 3.85Å; F503-M509 HydrophobicContact CD2-CG 3.77Å; F503-M509 HydrophobicContact CE2-CG 4.28Å; F503-M509 HydrophobicContact CG-CB 3.7Å; F503-M509 HydrophobicContact CG-CG 4.16Å; F503-F512 HydrophobicContact CE1-CB 3.62Å; F503-F512 HydrophobicContact CE1-CD2 4.29Å; F503-F512 AromaticContact CE1-CG 3.97Å; F503-F512 HydrophobicContact CE1-CG 3.97Å; F503-F512 HydrophobicContact CE2-CB 4.38Å; F503-F512 HydrophobicContact CE2-CD1 4.02Å; F503-F512 HydrophobicContact CE2-CE1 4.49Å; F503-F512 HydrophobicContact CE2-CG 4.17Å; F503-F512 HydrophobicContact CZ-CB 3.43Å; F503-F512 VanDerWaalsContact CZ-CB 3.43Å; F503-F512 AromaticContact CZ-CD1 3.62Å; F503-F512 HydrophobicContact CZ-CD1 3.62Å; F503-F512 AromaticContact CZ-CD2 3.69Å; F503-F512 HydrophobicContact CZ-CD2 3.69Å; F503-F512 HydrophobicContact CZ-CE1 4.25Å; F503-F512 HydrophobicContact CZ-CE2 4.3Å; F503-F512 AromaticContact CZ-CG 3.3Å; F503-F512 HydrophobicContact CZ-CG 3.3Å; F503-I527 PolarHBondContact N-O 2.87Å; F503-S528 WeakPolarHBondContact O-CA 3.5Å; F503-A529 PolarHBondContact O-N 2.82Å
504	Q	90.2	Very high	90.2	Very high	96 Å²	96	46.6 Å²	46.6	45%	0.449	22%	0.222	S	C	.	.	S	Bend	trans	-72.1	-32.8	172.1	-171	-175	20.4	0	0	112.3	N469 E564	N469-Q504 HydrophobicContact CB-CB 4.04Å; N469-Q504 WeakPolarHBondContact O-CB 3.48Å; N469-Q504 PolarHBondContact O-N 3.45Å; Q504-E564 HydrophobicContact CB-CG 4.35Å; Q504-E564 HydrophobicContact CG-CG 4.29Å
505	R	88.2	Confident	90.2	Very high	91 Å²	91	46.4 Å²	46.4	34%	0.343	22%	0.215	S	C	.	.	S	Bend	trans	-117.4	143.1	179.5	-70.1	176.5	63.2	-178.8	-11.4	111.5	E467 F503 D507 D508 M509	E467-R505 VanDerWaalsContact CB-NH1 3.3Å; E467-R505 IonicContact OE2-CZ 3.74Å; E467-R505 VanDerWaalsContact OE2-CZ 3.31Å; E467-R505 IonicContact OE2-NH1 2.85Å; E467-R505 PolarHBondContact OE2-NH1 3.34Å; E467-R505 IonicContact OE2-NH2 2.77Å; E467-R505 PolarHBondContact OE2-NH2 2.73Å; E467-R505 VanDerWaalsContact OE2-NH2 3.15Å; F503-R505 WeakPolarHBondContact CB-O 3.28Å; R505-D507 IonicContact CZ-OD2 3.82Å; R505-D507 VanDerWaalsContact CZ-OD2 3.29Å; R505-D507 IonicContact NE-OD2 3.98Å; R505-D507 PolarHBondContact NE-OD2 3.18Å; R505-D507 IonicContact NH2-OD2 3.71Å; R505-D507 PolarHBondContact NH2-OD2 2.92Å; R505-D508 HydrophobicContact CB-CB 4.4Å; R505-M509 PolarHBondContact O-N 3.48Å
506	K	88.2	Confident	90.4	Very high	118 Å²	118	43 Å²	43	51%	0.513	20%	0.2	S	C	.	.	H	α-helix	trans	-67.6	-36.4	177	-172.4	169.8	175.5	-74.1	0	112	D508 M509 E510	K506-D508 PolarHBondContact O-N 3.09Å; K506-M509 HydrophobicContact CG-CE 4.33Å; K506-M509 WeakPolarHBondContact O-CB 3.46Å; K506-M509 PolarHBondContact O-N 3.13Å; K506-E510 WeakPolarHBondContact CE-OE1 3.25Å; K506-E510 IonicContact NZ-OE1 3.65Å; K506-E510 PolarHBondContact NZ-OE1 3.11Å; K506-E510 PolarHBondContact O-N 3.21Å
507	D	90.4	Very high	90.5	Very high	89 Å²	89	43.8 Å²	43.8	48%	0.476	20%	0.199	S	C	.	.	H	α-helix	trans	-60.7	-45.5	178.6	-24.7	-45.8	0	0	0	111.4	R505 M509 E510 K511	R505-D507 IonicContact CZ-OD2 3.82Å; R505-D507 VanDerWaalsContact CZ-OD2 3.29Å; R505-D507 IonicContact NE-OD2 3.98Å; R505-D507 PolarHBondContact NE-OD2 3.18Å; R505-D507 IonicContact NH2-OD2 3.71Å; R505-D507 PolarHBondContact NH2-OD2 2.92Å; D507-M509 VanDerWaalsContact C-N 3.34Å; D507-M509 PolarHBondContact O-N 2.84Å; D507-E510 PolarHBondContact O-N 3.22Å; D507-K511 VanDerWaalsContact O-CB 3.29Å; D507-K511 WeakPolarHBondContact O-CB 3.47Å; D507-K511 PolarHBondContact O-N 3.42Å
508	D	91.6	Very high	90.4	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-64.9	-36.8	176.1	-72	-49.4	0	0	0	112.1	F466 E467 G468 F503 R505 K506 F512	F466-D508 WeakPolarHBondContact CA-OD1 3.23Å; F466-D508 HydrophobicContact CB-CB 4.39Å; F466-D508 WeakPolarHBondContact CB-OD1 3.14Å; F466-D508 HydrophobicContact CD1-CB 3.75Å; F466-D508 WeakPolarHBondContact CE1-O 3.12Å; E467-D508 PolarHBondContact N-OD1 3.48Å; E467-D508 PolarHBondContact N-OD2 3Å; G468-D508 PolarHBondContact N-OD2 2.74Å; F503-D508 HydrophobicContact CD1-CB 3.88Å; R505-D508 HydrophobicContact CB-CB 4.4Å; K506-D508 PolarHBondContact O-N 3.09Å; D508-F512 WeakPolarHBondContact O-CB 3.42Å; D508-F512 PolarHBondContact O-N 2.66Å
509	M	91.4	Very high	90.3	Very high	32 Å²	32	53.7 Å²	53.7	16%	0.158	25%	0.246	C	C	.	.	H	α-helix	trans	-64.9	-44.4	174.9	-172.3	-162.6	70	0	0	111.7	F503 R505 K506 D507 F512 M513 S526 S528	F503-M509 HydrophobicContact CB-CB 3.88Å; F503-M509 HydrophobicContact CD1-CB 4.2Å; F503-M509 HydrophobicContact CD2-CB 3.85Å; F503-M509 HydrophobicContact CD2-CG 3.77Å; F503-M509 HydrophobicContact CE2-CG 4.28Å; F503-M509 HydrophobicContact CG-CB 3.7Å; F503-M509 HydrophobicContact CG-CG 4.16Å; R505-M509 PolarHBondContact O-N 3.48Å; K506-M509 HydrophobicContact CG-CE 4.33Å; K506-M509 WeakPolarHBondContact O-CB 3.46Å; K506-M509 PolarHBondContact O-N 3.13Å; D507-M509 VanDerWaalsContact C-N 3.34Å; D507-M509 PolarHBondContact O-N 2.84Å; M509-F512 PolarHBondContact O-N 3.1Å; M509-M513 WeakPolarHBondContact O-CG 3.35Å; M509-M513 PolarHBondContact O-N 2.83Å; M509-S526 WeakPolarHBondContact CG-OG 3.49Å; M509-S528 PolarHBondContact SD-N 3.06Å; M509-S528 VanDerWaalsContact SD-N 3.39Å
510	E	90.8	Very high	90.2	Very high	92 Å²	92	55.9 Å²	55.9	43%	0.43	26%	0.259	S	S	.	.	H	α-helix	trans	-67.4	-43.3	178.7	-74	175.5	-168.6	0	0	111.1	K506 D507 F512 M513 T514	K506-E510 WeakPolarHBondContact CE-OE1 3.25Å; K506-E510 IonicContact NZ-OE1 3.65Å; K506-E510 PolarHBondContact NZ-OE1 3.11Å; K506-E510 PolarHBondContact O-N 3.21Å; D507-E510 PolarHBondContact O-N 3.22Å; E510-F512 PolarHBondContact O-N 3.04Å; E510-M513 PolarHBondContact O-N 2.78Å; E510-T514 PolarHBondContact O-N 3.11Å; E510-T514 PolarHBondContact O-OG1 2.7Å
511	K	89.6	Confident	90	Very high	88 Å²	88	62.2 Å²	62.2	38%	0.383	29%	0.293	S	S	.	.	H	α-helix	trans	-56.6	-46.7	171.9	-168.5	178.6	-166.6	175.4	0	112	L465 F466 D507 M513 T514 E515	L465-K511 VanDerWaalsContact O-CE 3.3Å; L465-K511 WeakPolarHBondContact O-CE 3.2Å; L465-K511 PolarHBondContact O-NZ 2.85Å; F466-K511 HydrophobicContact CE1-CB 4.41Å; F466-K511 HydrophobicContact CE1-CD 4.47Å; F466-K511 HydrophobicContact CE1-CG 4.45Å; D507-K511 VanDerWaalsContact O-CB 3.29Å; D507-K511 WeakPolarHBondContact O-CB 3.47Å; D507-K511 PolarHBondContact O-N 3.42Å; K511-M513 PolarHBondContact O-N 2.84Å; K511-T514 PolarHBondContact O-N 3.22Å; K511-E515 PolarHBondContact O-N 2.71Å; K511-E515 VanDerWaalsContact O-N 3.12Å
512	F	92.1	Very high	89.8	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-45.9	175.3	174.4	-94	0	0	0	112	A455 W458 L459 F466 F501 F503 D508 M509 E510 E515 V516 V524	A455-F512 HydrophobicContact CB-CZ 4.36Å; W458-F512 HydrophobicContact CE3-CD2 4.36Å; W458-F512 HydrophobicContact CE3-CE2 4.29Å; W458-F512 AromaticContact CZ3-CD2 3.87Å; W458-F512 HydrophobicContact CZ3-CD2 3.87Å; W458-F512 HydrophobicContact CZ3-CE2 4.26Å; L459-F512 HydrophobicContact CB-CE2 4.25Å; L459-F512 HydrophobicContact CD1-CD2 4.4Å; L459-F512 HydrophobicContact CD1-CE2 4.39Å; F466-F512 HydrophobicContact CE1-CB 3.86Å; F466-F512 HydrophobicContact CZ-CB 4.01Å; F466-F512 HydrophobicContact CZ-CD2 4.1Å; F501-F512 HydrophobicContact CB-CE1 4.46Å; F501-F512 HydrophobicContact CB-CZ 4.41Å; F501-F512 HydrophobicContact CD1-CZ 4.21Å; F501-F512 AromaticContact CD2-CE1 3.85Å; F501-F512 HydrophobicContact CD2-CE1 3.85Å; F501-F512 AromaticContact CD2-CZ 3.55Å; F501-F512 HydrophobicContact CD2-CZ 3.55Å; F501-F512 HydrophobicContact CE1-CZ 4.35Å; F501-F512 HydrophobicContact CE2-CE1 4.37Å; F501-F512 AromaticContact CE2-CZ 3.75Å; F501-F512 HydrophobicContact CE2-CZ 3.75Å; F501-F512 HydrophobicContact CG-CE1 4.22Å; F501-F512 HydrophobicContact CG-CE2 4.49Å; F501-F512 AromaticContact CG-CZ 3.8Å; F501-F512 HydrophobicContact CG-CZ 3.8Å; F501-F512 HydrophobicContact CZ-CZ 4.16Å; F503-F512 HydrophobicContact CE1-CB 3.62Å; F503-F512 HydrophobicContact CE1-CD2 4.29Å; F503-F512 AromaticContact CE1-CG 3.97Å; F503-F512 HydrophobicContact CE1-CG 3.97Å; F503-F512 HydrophobicContact CE2-CB 4.38Å; F503-F512 HydrophobicContact CE2-CD1 4.02Å; F503-F512 HydrophobicContact CE2-CE1 4.49Å; F503-F512 HydrophobicContact CE2-CG 4.17Å; F503-F512 HydrophobicContact CZ-CB 3.43Å; F503-F512 VanDerWaalsContact CZ-CB 3.43Å; F503-F512 AromaticContact CZ-CD1 3.62Å; F503-F512 HydrophobicContact CZ-CD1 3.62Å; F503-F512 AromaticContact CZ-CD2 3.69Å; F503-F512 HydrophobicContact CZ-CD2 3.69Å; F503-F512 HydrophobicContact CZ-CE1 4.25Å; F503-F512 HydrophobicContact CZ-CE2 4.3Å; F503-F512 AromaticContact CZ-CG 3.3Å; F503-F512 HydrophobicContact CZ-CG 3.3Å; D508-F512 WeakPolarHBondContact O-CB 3.42Å; D508-F512 PolarHBondContact O-N 2.66Å; M509-F512 PolarHBondContact O-N 3.1Å; E510-F512 PolarHBondContact O-N 3.04Å; F512-E515 PolarHBondContact O-N 3.14Å; F512-V516 HydrophobicContact CD2-CG2 3.9Å; F512-V516 HydrophobicContact CE1-CB 4.29Å; F512-V516 HydrophobicContact CE1-CG1 4.33Å; F512-V516 HydrophobicContact CE1-CG2 4.37Å; F512-V516 HydrophobicContact CE2-CB 4.47Å; F512-V516 HydrophobicContact CE2-CG2 3.7Å; F512-V516 HydrophobicContact CG-CG2 4.32Å; F512-V516 HydrophobicContact CZ-CB 4.26Å; F512-V516 HydrophobicContact CZ-CG1 4.13Å; F512-V516 HydrophobicContact CZ-CG2 3.95Å; F512-V516 VanDerWaalsContact O-CB 3.25Å; F512-V516 WeakPolarHBondContact O-CB 3.44Å; F512-V516 WeakPolarHBondContact O-CG2 3.39Å; F512-V516 PolarHBondContact O-N 3.38Å; F512-V524 HydrophobicContact CE1-CG2 4.06Å
513	M	90.5	Very high	89.6	Confident	22 Å²	22	71.2 Å²	71.2	11%	0.108	33%	0.334	C	S	.	.	H	α-helix	trans	-67.2	-36.3	179.7	-69.8	-63.7	-87.3	0	0	112.3	M509 E510 K511 R517 D518 V524 S526	M509-M513 WeakPolarHBondContact O-CG 3.35Å; M509-M513 PolarHBondContact O-N 2.83Å; E510-M513 PolarHBondContact O-N 2.78Å; K511-M513 PolarHBondContact O-N 2.84Å; M513-R517 HydrophobicContact CE-CB 4.26Å; M513-R517 WeakPolarHBondContact O-CA 3.22Å; M513-R517 VanDerWaalsContact O-CB 3.26Å; M513-R517 WeakPolarHBondContact O-CB 3.43Å; M513-R517 PolarHBondContact O-N 3.29Å; M513-R517 HydrophobicContact SD-CB 4.38Å; M513-D518 PolarHBondContact O-N 2.9Å; M513-V524 HydrophobicContact CE-CG2 4.46Å; M513-V524 HydrophobicContact SD-CG2 3.76Å; M513-S526 WeakPolarHBondContact CG-OG 3.48Å; M513-S526 PolarHBondContact SD-OG 3.37Å
514	T	89.9	Confident	89.4	Confident	63 Å²	63	72 Å²	72	39%	0.387	34%	0.338	S	S	.	.	I	π-helix	trans	-61	-45.9	173.6	-57.6	0	0	0	0	112	E510 K511 D518 K519	E510-T514 PolarHBondContact O-N 3.11Å; E510-T514 PolarHBondContact O-OG1 2.7Å; K511-T514 PolarHBondContact O-N 3.22Å; T514-D518 WeakPolarHBondContact O-CB 3.46Å; T514-D518 PolarHBondContact O-N 2.72Å; T514-K519 PolarHBondContact O-N 2.66Å
515	E	89.6	Confident	89.4	Confident	48 Å²	48	68.5 Å²	68.5	22%	0.224	32%	0.322	C	S	.	.	I	π-helix	trans	-70.6	-48	177.3	-59.4	-54.4	135.9	0	0	112.3	W458 K511 F512 K519 M520	W458-E515 HydrophobicContact CH2-CB 3.63Å; W458-E515 HydrophobicContact CH2-CG 3.85Å; W458-E515 HydrophobicContact CZ2-CB 3.58Å; W458-E515 HydrophobicContact CZ2-CG 3.86Å; W458-E515 HydrophobicContact CZ3-CB 4.46Å; K511-E515 PolarHBondContact O-N 2.71Å; K511-E515 VanDerWaalsContact O-N 3.12Å; F512-E515 PolarHBondContact O-N 3.14Å; E515-K519 WeakPolarHBondContact O-CB 3.4Å; E515-K519 IonicContact OE1-NZ 2.78Å; E515-K519 PolarHBondContact OE1-NZ 3.22Å; E515-K519 VanDerWaalsContact OE2-CD 3.3Å; E515-K519 WeakPolarHBondContact OE2-CD 3.4Å; E515-K519 IonicContact OE2-NZ 3.28Å; E515-K519 PolarHBondContact OE2-NZ 3.47Å; E515-M520 WeakPolarHBondContact O-CG 3.46Å; E515-M520 PolarHBondContact O-N 2.83Å; E515-M520 VanDerWaalsContact O-N 3.13Å
516	V	89.7	Confident	89.5	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.312	C	S	.	.	I	π-helix	trans	-87.6	-42.9	-166.4	176	0	0	0	0	113.1	A455 W458 F512 M520 L522 V524	A455-V516 HydrophobicContact CB-CG1 3.49Å; A455-V516 VanDerWaalsContact CB-CG1 3.49Å; W458-V516 HydrophobicContact CD2-CG2 3.93Å; W458-V516 HydrophobicContact CE3-CG2 3.41Å; W458-V516 VanDerWaalsContact CE3-CG2 3.41Å; W458-V516 HydrophobicContact CH2-CG2 4.36Å; W458-V516 HydrophobicContact CZ3-CG2 3.67Å; F512-V516 HydrophobicContact CD2-CG2 3.9Å; F512-V516 HydrophobicContact CE1-CB 4.29Å; F512-V516 HydrophobicContact CE1-CG1 4.33Å; F512-V516 HydrophobicContact CE1-CG2 4.37Å; F512-V516 HydrophobicContact CE2-CB 4.47Å; F512-V516 HydrophobicContact CE2-CG2 3.7Å; F512-V516 HydrophobicContact CG-CG2 4.32Å; F512-V516 HydrophobicContact CZ-CB 4.26Å; F512-V516 HydrophobicContact CZ-CG1 4.13Å; F512-V516 HydrophobicContact CZ-CG2 3.95Å; F512-V516 VanDerWaalsContact O-CB 3.25Å; F512-V516 WeakPolarHBondContact O-CB 3.44Å; F512-V516 WeakPolarHBondContact O-CG2 3.39Å; F512-V516 PolarHBondContact O-N 3.38Å; V516-M520 WeakPolarHBondContact O-CB 3.3Å; V516-L522 HydrophobicContact CG1-CB 4.08Å; V516-L522 HydrophobicContact CG1-CD1 4.14Å; V516-L522 WeakPolarHBondContact O-CB 3.46Å; V516-L522 PolarHBondContact O-N 3.02Å; V516-L522 VanDerWaalsContact O-N 3.11Å; V516-V524 HydrophobicContact CB-CG2 4.5Å; V516-V524 HydrophobicContact CG1-CB 4.46Å; V516-V524 HydrophobicContact CG1-CG1 3.93Å; V516-V524 HydrophobicContact CG1-CG2 3.72Å
517	R	89.9	Confident	89.6	Confident	115 Å²	115	60 Å²	60	43%	0.434	29%	0.291	S	S	.	.	I	π-helix	trans	-86.2	-50.8	177.5	-172.4	-165.8	65	-152.1	-11.4	110.5	M513 N521	M513-R517 HydrophobicContact CE-CB 4.26Å; M513-R517 WeakPolarHBondContact O-CA 3.22Å; M513-R517 VanDerWaalsContact O-CB 3.26Å; M513-R517 WeakPolarHBondContact O-CB 3.43Å; M513-R517 PolarHBondContact O-N 3.29Å; M513-R517 HydrophobicContact SD-CB 4.38Å; R517-N521 WeakPolarHBondContact O-CA 3.39Å; R517-N521 PolarHBondContact O-N 2.93Å
518	D	87.5	Confident	89.6	Confident	91 Å²	91	57.7 Å²	57.7	49%	0.487	28%	0.281	S	S	.	.	I	π-helix	trans	-85.8	-37.3	-165.4	-56.5	-34.5	0	0	0	113.4	M513 T514	M513-D518 PolarHBondContact O-N 2.9Å; T514-D518 WeakPolarHBondContact O-CB 3.46Å; T514-D518 PolarHBondContact O-N 2.72Å
519	K	87.5	Confident	89.4	Confident	136 Å²	136	57.9 Å²	57.9	59%	0.591	28%	0.284	S	S	*	.	I	π-helix	trans	-87.4	-38.8	172.7	-64.3	176.7	-170.9	171	0	113.7	T514 E515	T514-K519 PolarHBondContact O-N 2.66Å; E515-K519 WeakPolarHBondContact O-CB 3.4Å; E515-K519 IonicContact OE1-NZ 2.78Å; E515-K519 PolarHBondContact OE1-NZ 3.22Å; E515-K519 VanDerWaalsContact OE2-CD 3.3Å; E515-K519 WeakPolarHBondContact OE2-CD 3.4Å; E515-K519 IonicContact OE2-NZ 3.28Å; E515-K519 PolarHBondContact OE2-NZ 3.47Å
520	M	86.9	Confident	89.2	Confident	89 Å²	89	57.6 Å²	57.6	44%	0.438	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-3.4	-176.2	-64.3	-173	-173	0	0	114.9	W458 E515 V516 L522	W458-M520 HydrophobicContact CG-SD 4.32Å; W458-M520 VanDerWaalsContact NE1-CE 3.32Å; E515-M520 WeakPolarHBondContact O-CG 3.46Å; E515-M520 PolarHBondContact O-N 2.83Å; E515-M520 VanDerWaalsContact O-N 3.13Å; V516-M520 WeakPolarHBondContact O-CB 3.3Å; M520-L522 HydrophobicContact CB-CD1 4.33Å; M520-L522 HydrophobicContact CB-CG 4.13Å; M520-L522 PolarHBondContact O-N 2.96Å
521	N	87.7	Confident	88.5	Confident	133 Å²	133	60.1 Å²	60.1	71%	0.711	31%	0.309	S	S	*	.			trans	57.4	28.2	175.9	-158.6	11.5	0	0	0	114.6	R517	R517-N521 WeakPolarHBondContact O-CA 3.39Å; R517-N521 PolarHBondContact O-N 2.93Å
522	L	89.8	Confident	88.1	Confident	35 Å²	35	63.5 Å²	63.5	18%	0.183	33%	0.326	C	S	.	.			trans	-89.8	133.3	-178.9	-59.1	179.8	0	0	0	111.7	D451 A454 A455 V516 M520 V524	D451-L522 HydrophobicContact CB-CB 4.38Å; A454-L522 HydrophobicContact CB-CD1 3.97Å; A454-L522 HydrophobicContact CB-CD2 4.48Å; A455-L522 HydrophobicContact CB-CD1 4.27Å; V516-L522 HydrophobicContact CG1-CB 4.08Å; V516-L522 HydrophobicContact CG1-CD1 4.14Å; V516-L522 WeakPolarHBondContact O-CB 3.46Å; V516-L522 PolarHBondContact O-N 3.02Å; V516-L522 VanDerWaalsContact O-N 3.11Å; M520-L522 HydrophobicContact CB-CD1 4.33Å; M520-L522 HydrophobicContact CB-CG 4.13Å; M520-L522 PolarHBondContact O-N 2.96Å; L522-V524 HydrophobicContact CB-CG1 4.3Å; L522-V524 PolarHBondContact O-N 2.99Å
523	K	87.6	Confident	87.6	Confident	154 Å²	154	66.7 Å²	66.7	67%	0.67	35%	0.348	S	S	*	.			trans	-83.8	79.7	-176.6	-61.8	-179.9	-178.3	177.1	0	112	D451	D451-K523 WeakPolarHBondContact OD2-CB 3.5Å; D451-K523 PolarHBondContact OD2-N 3.43Å
524	V	88.4	Confident	87.2	Confident	16 Å²	16	66.3 Å²	66.3	10%	0.097	35%	0.347	C	S	.	.			trans	-109.7	161.3	-178	-62.2	0	0	0	0	113.6	A455 F501 F512 M513 V516 L522	A455-V524 HydrophobicContact CB-CG1 3.47Å; A455-V524 VanDerWaalsContact CB-CG1 3.47Å; F501-V524 HydrophobicContact CE2-CB 4.46Å; F501-V524 HydrophobicContact CE2-CG1 4.31Å; F512-V524 HydrophobicContact CE1-CG2 4.06Å; M513-V524 HydrophobicContact CE-CG2 4.46Å; M513-V524 HydrophobicContact SD-CG2 3.76Å; V516-V524 HydrophobicContact CB-CG2 4.5Å; V516-V524 HydrophobicContact CG1-CB 4.46Å; V516-V524 HydrophobicContact CG1-CG1 3.93Å; V516-V524 HydrophobicContact CG1-CG2 3.72Å; L522-V524 HydrophobicContact CB-CG1 4.3Å; L522-V524 PolarHBondContact O-N 2.99Å
525	N	90.3	Very high	86.7	Confident	22 Å²	22	63.5 Å²	63.5	12%	0.118	33%	0.33	C	S	.	.			trans	-114.8	142.1	168.9	-173.3	22.1	0	0	0	109.4	H496 D497 A500 F501	H496-N525 PolarHBondContact CE1-ND2 3.31Å; H496-N525 PolarHBondContact ND1-ND2 3.44Å; H496-N525 PolarHBondContact O-ND2 2.75Å; D497-N525 PolarHBondContact OD1-ND2 3.48Å; D497-N525 VanDerWaalsContact OD1-ND2 3.13Å; A500-N525 WeakPolarHBondContact CA-O 3.41Å; A500-N525 HydrophobicContact CB-CB 4.03Å; A500-N525 WeakPolarHBondContact CB-ND2 3.44Å; F501-N525 PolarHBondContact N-O 3.25Å; F501-N525 VanDerWaalsContact N-O 3.16Å
526	S	89.5	Confident	86.3	Confident	17 Å²	17	70.3 Å²	70.3	12%	0.119	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.7	-179.1	64.8	0	0	0	0	109.6	F501 M509 M513	F501-S526 WeakPolarHBondContact O-CA 3.46Å; M509-S526 WeakPolarHBondContact CG-OG 3.49Å; M513-S526 WeakPolarHBondContact CG-OG 3.48Å; M513-S526 PolarHBondContact SD-OG 3.37Å
527	I	91.3	Very high	86.1	Confident	14 Å²	14	77.1 Å²	77.1	7%	0.072	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.4	-173.6	-70.6	175.8	0	0	0	109.1	M474 D497 A500 F501 V502 F503 Y568	M474-I527 HydrophobicContact CE-CD1 3.83Å; D497-I527 HydrophobicContact CB-CD1 3.89Å; A500-I527 HydrophobicContact CB-CB 4.43Å; A500-I527 HydrophobicContact CB-CD1 3.46Å; A500-I527 VanDerWaalsContact CB-CD1 3.46Å; A500-I527 HydrophobicContact CB-CG1 3.8Å; F501-I527 PolarHBondContact O-N 2.8Å; V502-I527 CarbonylContact C-O 3.59Å; V502-I527 WeakPolarHBondContact CA-O 3.23Å; F503-I527 PolarHBondContact N-O 2.87Å; I527-Y568 HydrophobicContact CD1-CE1 3.85Å; I527-Y568 HydrophobicContact CG2-CD1 4.05Å; I527-Y568 HydrophobicContact CG2-CD2 3.39Å; I527-Y568 HydrophobicContact CG2-CE1 3.99Å; I527-Y568 HydrophobicContact CG2-CE2 3.32Å; I527-Y568 HydrophobicContact CG2-CG 3.76Å
528	S	90.1	Very high	85.7	Confident	40 Å²	40	75.2 Å²	75.2	28%	0.28	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	132.9	164.8	-171.2	0	0	0	0	109	F503 M509	F503-S528 WeakPolarHBondContact O-CA 3.5Å; M509-S528 PolarHBondContact SD-N 3.06Å; M509-S528 VanDerWaalsContact SD-N 3.39Å
529	A	87.8	Confident	85.5	Confident	9 Å²	9	73.3 Å²	73.3	7%	0.074	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-62.4	153.3	162.6	0	0	0	0	0	110.1	V502 F503 E564	V502-A529 HydrophobicContact CG1-CB 4.31Å; F503-A529 PolarHBondContact O-N 2.82Å; A529-E564 HydrophobicContact CB-CB 3.82Å
530	P	86.2	Confident	85.2	Confident	26 Å²	26	70.3 Å²	70.3	17%	0.169	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-69.7	149.3	174.2	31.5	-36.3	0	0	0	110.5	E532 S567 F571	P530-E532 VanDerWaalsContact C-N 3.26Å; P530-E532 PolarHBondContact O-N 3.31Å; P530-S567 VanDerWaalsContact CG-OG 3.23Å; P530-S567 WeakPolarHBondContact CG-OG 3.28Å; P530-F571 HydrophobicContact CB-CD2 4.23Å; P530-F571 HydrophobicContact CB-CG 4.24Å; P530-F571 HydrophobicContact CG-CB 3.98Å; P530-F571 HydrophobicContact CG-CD2 4.48Å; P530-F571 HydrophobicContact CG-CG 4.22Å
531	P	77.6	Confident	85	Confident	144 Å²	144	71.4 Å²	71.4	94%	0.935	38%	0.382	S	S	*	.	S	Bend	trans	-61.8	-29.2	-177.5	-25.1	35	0	0	0	114.7
532	E	80.9	Confident	84.8	Confident	159 Å²	159	69.2 Å²	69.2	74%	0.743	37%	0.37	S	S	*	.	S	Bend	trans	-99	129.5	175.2	-65.5	178.1	179.6	0	0	110.3	P530 C534 S567	P530-E532 VanDerWaalsContact C-N 3.26Å; P530-E532 PolarHBondContact O-N 3.31Å; E532-C534 PolarHBondContact O-N 3.35Å; E532-C534 VanDerWaalsContact O-N 3.12Å; E532-S567 PolarHBondContact O-OG 3.48Å
533	S	80.6	Confident	84.6	Confident	67 Å²	67	69 Å²	69	47%	0.469	37%	0.369	S	S	.	.			trans	-71.3	111.3	179.5	-174.1	0	0	0	0	112.3	S535 D563 S567	S533-S535 VanDerWaalsContact C-N 3.33Å; S533-S535 PolarHBondContact OG-N 3Å; S533-S535 PolarHBondContact OG-OG 3.17Å; S533-S535 VanDerWaalsContact OG-OG 3.14Å; S533-D563 WeakPolarHBondContact CB-OD2 3.37Å; S533-D563 PolarHBondContact OG-OD2 2.71Å; S533-S567 WeakPolarHBondContact CA-OG 3.25Å
534	C	82.6	Confident	84.4	Confident	14 Å²	14	67.9 Å²	67.9	10%	0.095	37%	0.366	C	S	.	.			trans	-87.4	3.8	173.2	-68.9	0	0	0	0	113	E532 K536 R537 S567 C570 F571	E532-C534 PolarHBondContact O-N 3.35Å; E532-C534 VanDerWaalsContact O-N 3.12Å; C534-K536 VanDerWaalsContact C-N 3.26Å; C534-K536 PolarHBondContact O-N 3.01Å; C534-R537 VanDerWaalsContact O-CB 3.24Å; C534-R537 WeakPolarHBondContact O-CB 3.28Å; C534-R537 PolarHBondContact O-N 3.06Å; C534-R537 VanDerWaalsContact O-N 3.14Å; C534-S567 PolarHBondContact N-OG 2.89Å; C534-C570 HydrophobicContact CB-CB 3.77Å; C534-C570 WeakPolarHBondContact O-CB 3.48Å; C534-C570 PolarHBondContact O-SG 2.92Å; C534-C570 VanDerWaalsContact O-SG 3.35Å; C534-F571 HydrophobicContact CB-CB 4.49Å
535	S	80.3	Confident	84.1	Confident	4 Å²	4	69.6 Å²	69.6	3%	0.028	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.8	-169.6	71.8	0	0	0	0	114.4	S533 R556 D563	S533-S535 VanDerWaalsContact C-N 3.33Å; S533-S535 PolarHBondContact OG-N 3Å; S533-S535 PolarHBondContact OG-OG 3.17Å; S533-S535 VanDerWaalsContact OG-OG 3.14Å; S535-R556 PolarHBondContact O-NE 3.12Å; S535-R556 PolarHBondContact O-NH2 3.38Å; S535-D563 WeakPolarHBondContact CB-OD1 3.35Å; S535-D563 PolarHBondContact OG-OD1 2.97Å
536	K	81.3	Confident	83.8	Confident	192 Å²	192	68.6 Å²	68.6	84%	0.835	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	13.3	179.7	-62.6	177.2	-175.1	175.1	0	113.4	C534 A538	C534-K536 VanDerWaalsContact C-N 3.26Å; C534-K536 PolarHBondContact O-N 3.01Å; K536-A538 PolarHBondContact O-N 3.31Å
537	R	84	Confident	83.7	Confident	143 Å²	143	75 Å²	75	54%	0.54	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-65.5	121.5	-179.7	-175.8	166.8	176.1	139.3	7.8	110.4	C534 H576	C534-R537 VanDerWaalsContact O-CB 3.24Å; C534-R537 WeakPolarHBondContact O-CB 3.28Å; C534-R537 PolarHBondContact O-N 3.06Å; C534-R537 VanDerWaalsContact O-N 3.14Å; R537-H576 WeakPolarHBondContact CD-NE2 3.48Å; R537-H576 VanDerWaalsContact O-CB 3.25Å; R537-H576 WeakPolarHBondContact O-CB 3.26Å
538	A	81.3	Confident	83.3	Confident	74 Å²	74	81.8 Å²	81.8	61%	0.612	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-64.1	152.4	-179.9	0	0	0	0	0	112.5	K536 H576	K536-A538 PolarHBondContact O-N 3.31Å; A538-H576 PolarHBondContact O-CD2 3.28Å
539	P	84.4	Confident	83	Confident	52 Å²	52	80.7 Å²	80.7	34%	0.338	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-59.7	157.5	168.1	27.2	-36.5	0	0	0	111.5	R541 Y554 H576	P539-R541 VanDerWaalsContact CB-O 3.32Å; P539-R541 WeakPolarHBondContact CB-O 3.33Å; P539-R541 VanDerWaalsContact CG-O 3.28Å; P539-R541 WeakPolarHBondContact CG-O 3.17Å; P539-R541 PolarHBondContact O-N 3.33Å; P539-Y554 HydrophobicContact CB-CD1 4.32Å; P539-Y554 HydrophobicContact CB-CD2 3.96Å; P539-Y554 HydrophobicContact CB-CE1 3.94Å; P539-Y554 HydrophobicContact CB-CE2 3.53Å; P539-Y554 HydrophobicContact CB-CG 4.33Å; P539-Y554 HydrophobicContact CG-CD2 4.24Å; P539-Y554 HydrophobicContact CG-CE2 3.94Å; P539-H576 WeakPolarHBondContact CA-O 3.29Å; P539-H576 VanDerWaalsContact CB-O 3.27Å; P539-H576 WeakPolarHBondContact CB-O 3.29Å
540	S	81.8	Confident	82.9	Confident	73 Å²	73	80.5 Å²	80.5	51%	0.51	41%	0.409	S	S	.	.	S	Bend	trans	-66.7	-17.7	175.5	64.2	0	0	0	0	113.8	D577	S540-D577 WeakPolarHBondContact CB-OD1 3.26Å; S540-D577 PolarHBondContact N-OD1 2.84Å; S540-D577 PolarHBondContact OG-OD1 3.5Å
541	R	81.4	Confident	83.2	Confident	111 Å²	111	79.3 Å²	79.3	42%	0.419	40%	0.401	S	S	.	.	S	Bend	trans	-145.7	157.6	177.1	-65.4	-168.5	172.2	-153.1	-5.8	111.3	P539 Y554 Y597	P539-R541 VanDerWaalsContact CB-O 3.32Å; P539-R541 WeakPolarHBondContact CB-O 3.33Å; P539-R541 VanDerWaalsContact CG-O 3.28Å; P539-R541 WeakPolarHBondContact CG-O 3.17Å; P539-R541 PolarHBondContact O-N 3.33Å; R541-Y554 PolarHBondContact O-OH 3.25Å; R541-Y554 VanDerWaalsContact O-OH 3.12Å; R541-Y597 VanDerWaalsContact CZ-CE1 3.45Å; R541-Y597 PolarHBondContact NH1-OH 3.32Å
542	N	83.3	Confident	83.7	Confident	87 Å²	87	75.9 Å²	75.9	47%	0.465	37%	0.372	S	S	.	.			trans	-69.1	131.7	167.4	178.1	-7.1	0	0	0	109.6	E544 S545	N542-E544 PolarHBondContact ND2-OE2 3.02Å; N542-E544 PolarHBondContact O-N 3.46Å; N542-E544 VanDerWaalsContact O-N 3.14Å; N542-E544 WeakPolarHBondContact OD1-CG 3.42Å; N542-E544 PolarHBondContact OD1-N 3.19Å; N542-S545 WeakPolarHBondContact O-CB 3.15Å; N542-S545 PolarHBondContact O-N 3.46Å; N542-S545 PolarHBondContact O-OG 2.96Å
543	I	85.6	Confident	84.2	Confident	30 Å²	30	69.8 Å²	69.8	15%	0.154	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-30.7	177.7	-170.6	64.7	0	0	0	112.9	S545 L546 R547 F551 Y554 P579	I543-S545 PolarHBondContact O-N 2.64Å; I543-L546 HydrophobicContact CD1-CB 4.5Å; I543-L546 CarbonylContact O-C 3.54Å; I543-L546 WeakPolarHBondContact O-CA 3.21Å; I543-L546 WeakPolarHBondContact O-CB 3.33Å; I543-L546 PolarHBondContact O-N 3.36Å; I543-R547 PolarHBondContact O-N 3.24Å; I543-F551 HydrophobicContact CD1-CB 4.03Å; I543-Y554 HydrophobicContact CB-CD2 4.1Å; I543-Y554 HydrophobicContact CB-CE2 3.86Å; I543-Y554 HydrophobicContact CD1-CD2 4.04Å; I543-Y554 HydrophobicContact CD1-CE2 3.96Å; I543-Y554 HydrophobicContact CG1-CD2 4.49Å; I543-Y554 HydrophobicContact CG1-CE2 4.47Å; I543-P579 HydrophobicContact CD1-CB 4.48Å
544	E	84.1	Confident	84.7	Confident	131 Å²	131	67.3 Å²	67.3	61%	0.612	33%	0.325	S	S	*	.	H	α-helix	trans	-58.7	-36.1	177.5	-65.6	174.3	146.6	0	0	112.3	N542 L546 R547	N542-E544 PolarHBondContact ND2-OE2 3.02Å; N542-E544 PolarHBondContact O-N 3.46Å; N542-E544 VanDerWaalsContact O-N 3.14Å; N542-E544 WeakPolarHBondContact OD1-CG 3.42Å; N542-E544 PolarHBondContact OD1-N 3.19Å; E544-L546 PolarHBondContact O-N 3.33Å; E544-R547 PolarHBondContact O-N 2.83Å
545	S	82.9	Confident	85.1	Confident	53 Å²	53	66.6 Å²	66.6	37%	0.371	32%	0.321	S	S	.	.	H	α-helix	trans	-66.9	-20.8	175.1	71.1	0	0	0	0	113.4	N542 I543	N542-S545 WeakPolarHBondContact O-CB 3.15Å; N542-S545 PolarHBondContact O-N 3.46Å; N542-S545 PolarHBondContact O-OG 2.96Å; I543-S545 PolarHBondContact O-N 2.64Å
546	L	83.6	Confident	85.6	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-99.3	-14.9	-179.6	-53.5	-175.1	0	0	0	112.9	I543 E544 R548 F549 F551 Y554 P579 Y597 L598	I543-L546 HydrophobicContact CD1-CB 4.5Å; I543-L546 CarbonylContact O-C 3.54Å; I543-L546 WeakPolarHBondContact O-CA 3.21Å; I543-L546 WeakPolarHBondContact O-CB 3.33Å; I543-L546 PolarHBondContact O-N 3.36Å; E544-L546 PolarHBondContact O-N 3.33Å; L546-R548 PolarHBondContact O-N 2.62Å; L546-R548 VanDerWaalsContact O-N 3.14Å; L546-F549 PolarHBondContact O-N 3.14Å; L546-F551 HydrophobicContact CB-CB 3.89Å; L546-F551 HydrophobicContact CB-CD2 3.89Å; L546-F551 HydrophobicContact CB-CG 4.25Å; L546-Y554 WeakPolarHBondContact CD1-OH 3.24Å; L546-P579 HydrophobicContact CD1-CB 4.1Å; L546-P579 HydrophobicContact CD1-CG 4.22Å; L546-Y597 HydrophobicContact CD2-CE2 3.92Å; L546-L598 HydrophobicContact CD1-CD2 4.34Å
547	R	86.1	Confident	85.9	Confident	151 Å²	151	64.3 Å²	64.3	57%	0.57	31%	0.311	S	S	*	.	H	α-helix	trans	-56.3	-28.8	175.9	-78.2	-178.7	175.3	-124.3	-6.1	113.2	I543 E544 F549 G550 F551	I543-R547 PolarHBondContact O-N 3.24Å; E544-R547 PolarHBondContact O-N 2.83Å; R547-F549 PolarHBondContact O-N 2.87Å; R547-G550 PolarHBondContact O-N 3.43Å; R547-F551 WeakPolarHBondContact CA-O 3.41Å; R547-F551 VanDerWaalsContact CG-O 3.29Å; R547-F551 WeakPolarHBondContact CG-O 3.4Å
548	R	84.1	Confident	86.1	Confident	156 Å²	156	57.6 Å²	57.6	59%	0.589	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.7	172	76.1	-173.4	-168	176.9	3.1	114.3	L546 E595	L546-R548 PolarHBondContact O-N 2.62Å; L546-R548 VanDerWaalsContact O-N 3.14Å; R548-E595 IonicContact CZ-OE1 2.73Å; R548-E595 IonicContact NH2-OE1 3.8Å; R548-E595 PolarHBondContact NH2-OE1 3.26Å
549	F	83.8	Confident	86.6	Confident	17 Å²	17	54 Å²	54	8%	0.075	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	15.3	178	-57.8	-53.4	0	0	0	113.2	L546 R547 F551 T585 L588 T591 V592 E595	L546-F549 PolarHBondContact O-N 3.14Å; R547-F549 PolarHBondContact O-N 2.87Å; F549-F551 VanDerWaalsContact C-N 3.34Å; F549-F551 HydrophobicContact CB-CD2 3.86Å; F549-F551 HydrophobicContact CB-CE2 4Å; F549-F551 PolarHBondContact O-N 3.4Å; F549-T585 WeakPolarHBondContact O-CA 3.24Å; F549-T585 VanDerWaalsContact O-CB 3.28Å; F549-T585 WeakPolarHBondContact O-CB 3.39Å; F549-T585 PolarHBondContact O-OG1 3.31Å; F549-L588 HydrophobicContact CD1-CD1 4.46Å; F549-T591 HydrophobicContact CE1-CG2 4.15Å; F549-V592 HydrophobicContact CB-CG2 3.75Å; F549-V592 HydrophobicContact CD1-CG2 3.96Å; F549-V592 HydrophobicContact CD2-CG2 4.48Å; F549-V592 HydrophobicContact CG-CG2 3.85Å; F549-E595 HydrophobicContact CE2-CG 3.95Å; F549-E595 WeakPolarHBondContact CE2-OE1 3.4Å; F549-E595 HydrophobicContact CZ-CG 4.03Å; F549-E595 WeakPolarHBondContact CZ-OE1 3.47Å
550	G	85.9	Confident	86.7	Confident	5 Å²	5	55 Å²	55	5%	0.052	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	3.1	179.4	0	0	0	0	0	115.9	R547 G581 N582 T585	R547-G550 PolarHBondContact O-N 3.43Å; G550-G581 VanDerWaalsContact O-CA 3.32Å; G550-G581 WeakPolarHBondContact O-CA 3.15Å; G550-N582 PolarHBondContact O-N 3.04Å; G550-N582 PolarHBondContact O-OD1 2.86Å; G550-T585 WeakPolarHBondContact CA-OG1 3.49Å; G550-T585 PolarHBondContact O-OG1 3.28Å
551	F	90.9	Very high	87	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.009	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128.1	173.6	-67.4	-69.1	0	0	0	111.1	I543 L546 R547 F549 P579 T585 V592 L598 L601	I543-F551 HydrophobicContact CD1-CB 4.03Å; L546-F551 HydrophobicContact CB-CB 3.89Å; L546-F551 HydrophobicContact CB-CD2 3.89Å; L546-F551 HydrophobicContact CB-CG 4.25Å; R547-F551 WeakPolarHBondContact CA-O 3.41Å; R547-F551 VanDerWaalsContact CG-O 3.29Å; R547-F551 WeakPolarHBondContact CG-O 3.4Å; F549-F551 VanDerWaalsContact C-N 3.34Å; F549-F551 HydrophobicContact CB-CD2 3.86Å; F549-F551 HydrophobicContact CB-CE2 4Å; F549-F551 PolarHBondContact O-N 3.4Å; F551-P579 HydrophobicContact CB-CB 4.35Å; F551-P579 HydrophobicContact CD1-CB 3.6Å; F551-P579 HydrophobicContact CD1-CG 3.97Å; F551-P579 HydrophobicContact CE1-CB 4.01Å; F551-P579 HydrophobicContact CE1-CG 3.86Å; F551-P579 HydrophobicContact CG-CB 3.99Å; F551-P579 HydrophobicContact CG-CG 4.44Å; F551-P579 HydrophobicContact CZ-CG 4.21Å; F551-T585 HydrophobicContact CD1-CG2 4.23Å; F551-T585 HydrophobicContact CD2-CG2 4.49Å; F551-T585 HydrophobicContact CE1-CG2 3.63Å; F551-T585 HydrophobicContact CE2-CG2 3.93Å; F551-T585 HydrophobicContact CZ-CG2 3.47Å; F551-T585 VanDerWaalsContact CZ-CG2 3.47Å; F551-V592 HydrophobicContact CE2-CG1 3.77Å; F551-V592 HydrophobicContact CZ-CG1 3.76Å; F551-L598 HydrophobicContact CE2-CD1 3.99Å; F551-L598 HydrophobicContact CZ-CD1 4.26Å; F551-L601 HydrophobicContact CE1-CB 3.94Å; F551-L601 HydrophobicContact CE1-CD1 4.31Å; F551-L601 HydrophobicContact CZ-CB 3.97Å; F551-L601 HydrophobicContact CZ-CD1 4.11Å; F551-L601 HydrophobicContact CZ-CD2 4.23Å; F551-L601 HydrophobicContact CZ-CG 4.32Å
552	F	89.3	Confident	87.4	Confident	72 Å²	72	49.4 Å²	49.4	32%	0.316	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-29.7	-174.5	64.4	-89.4	0	0	0	114.1	F485 M558 V580	F485-F552 HydrophobicContact CE1-CE2 4.36Å; F552-M558 HydrophobicContact CE2-CE 3.7Å; F552-M558 HydrophobicContact CZ-CE 3.64Å; F552-V580 VanDerWaalsContact CD1-O 3.25Å; F552-V580 WeakPolarHBondContact CD1-O 3.27Å; F552-V580 HydrophobicContact CE1-CB 4.4Å; F552-V580 HydrophobicContact CE1-CG1 3.89Å; F552-V580 HydrophobicContact CZ-CB 4.38Å; F552-V580 HydrophobicContact CZ-CG1 3.88Å; F552-V580 PolarHBondContact N-O 2.94Å
553	T	90.4	Very high	87.6	Confident	30 Å²	30	48.7 Å²	48.7	18%	0.184	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	172.5	176.4	-162.2	0	0	0	0	112.4	M558 V580	T553-M558 HydrophobicContact CG2-CE 3.53Å; T553-M558 HydrophobicContact CG2-CG 4.13Å; T553-V580 PolarHBondContact O-N 3.39Å
554	Y	92.2	Very high	87.8	Confident	15 Å²	15	48.6 Å²	48.6	6%	0.059	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	148.1	169	-78.5	-82.3	0	0	0	111.1	P539 R541 I543 L546 R556 E557 H576 P579	P539-Y554 HydrophobicContact CB-CD1 4.32Å; P539-Y554 HydrophobicContact CB-CD2 3.96Å; P539-Y554 HydrophobicContact CB-CE1 3.94Å; P539-Y554 HydrophobicContact CB-CE2 3.53Å; P539-Y554 HydrophobicContact CB-CG 4.33Å; P539-Y554 HydrophobicContact CG-CD2 4.24Å; P539-Y554 HydrophobicContact CG-CE2 3.94Å; R541-Y554 PolarHBondContact O-OH 3.25Å; R541-Y554 VanDerWaalsContact O-OH 3.12Å; I543-Y554 HydrophobicContact CB-CD2 4.1Å; I543-Y554 HydrophobicContact CB-CE2 3.86Å; I543-Y554 HydrophobicContact CD1-CD2 4.04Å; I543-Y554 HydrophobicContact CD1-CE2 3.96Å; I543-Y554 HydrophobicContact CG1-CD2 4.49Å; I543-Y554 HydrophobicContact CG1-CE2 4.47Å; L546-Y554 WeakPolarHBondContact CD1-OH 3.24Å; Y554-R556 PolarHBondContact O-N 3.48Å; Y554-R556 VanDerWaalsContact O-N 3.16Å; Y554-E557 PolarHBondContact O-N 2.91Å; Y554-H576 VanDerWaalsContact CD1-O 3.24Å; Y554-H576 WeakPolarHBondContact CD1-O 3.08Å; Y554-P579 HydrophobicContact CD1-CB 4.15Å; Y554-P579 HydrophobicContact CE1-CB 3.94Å; Y554-P579 HydrophobicContact CE1-CG 4.39Å
555	L	90.6	Very high	88.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-57	-34.4	-175.8	-175.4	61.2	0	0	0	113.1	V489 H492 E557 M558 F559 V575 V578 V580	V489-L555 HydrophobicContact CG2-CD1 3.89Å; H492-L555 HydrophobicContact CB-CD2 3.55Å; H492-L555 VanDerWaalsContact CG-CD2 3.41Å; L555-E557 PolarHBondContact O-N 2.92Å; L555-M558 HydrophobicContact CD1-SD 3.95Å; L555-M558 WeakPolarHBondContact O-CB 3.47Å; L555-M558 PolarHBondContact O-N 3.41Å; L555-M558 VanDerWaalsContact O-N 3.17Å; L555-F559 HydrophobicContact CG-CE1 4.45Å; L555-F559 WeakPolarHBondContact O-CD1 3.26Å; L555-F559 WeakPolarHBondContact O-CE1 3.4Å; L555-V575 HydrophobicContact CD2-CG1 4.26Å; L555-V578 HydrophobicContact CB-CB 4.26Å; L555-V578 HydrophobicContact CB-CG1 4.3Å; L555-V578 HydrophobicContact CD2-CG1 4.24Å; L555-V578 PolarHBondContact N-O 3Å; L555-V580 HydrophobicContact CB-CG2 4.27Å; L555-V580 HydrophobicContact CD1-CG2 4.3Å
556	R	90.3	Very high	88.4	Confident	47 Å²	47	39.9 Å²	39.9	18%	0.177	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-52.4	-30.4	173.1	172.9	61.6	-176	91.2	-2.2	114.8	S535 Y554 M566 V575 H576	S535-R556 PolarHBondContact O-NE 3.12Å; S535-R556 PolarHBondContact O-NH2 3.38Å; Y554-R556 PolarHBondContact O-N 3.48Å; Y554-R556 VanDerWaalsContact O-N 3.16Å; R556-M566 WeakPolarHBondContact CD-SD 3.34Å; R556-M566 PolarHBondContact NE-SD 3.08Å; R556-M566 VanDerWaalsContact NE-SD 3.43Å; R556-V575 HydrophobicContact CB-CG2 4.23Å; R556-V575 WeakPolarHBondContact CB-O 3.46Å; R556-V575 PolarHBondContact N-O 3.42Å; R556-H576 HydrophobicContact CB-CB 4.26Å; R556-H576 HydrophobicContact CG-CB 4.38Å
557	E	88.6	Confident	88.7	Confident	100 Å²	100	40 Å²	40	47%	0.467	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-85.3	-14.4	-176.3	-65.1	-50.5	133.1	0	0	113.3	K481 Y554 L555 F559	K481-E557 WeakPolarHBondContact CD-O 3.45Å; K481-E557 WeakPolarHBondContact CE-O 3.34Å; K481-E557 PolarHBondContact NZ-O 2.9Å; Y554-E557 PolarHBondContact O-N 2.91Å; L555-E557 PolarHBondContact O-N 2.92Å; E557-F559 VanDerWaalsContact C-N 3.34Å; E557-F559 PolarHBondContact O-N 2.99Å
558	M	88.6	Confident	89	Confident	2 Å²	2	34 Å²	34	1%	0.01	16%	0.164	C	C	.	.	S	Bend	trans	-78.2	-16.5	-175.9	-66.5	-174.3	159.9	0	0	114.2	V480 K481 F485 Y488 V489 F552 T553 L555 V580	V480-M558 VanDerWaalsContact CG1-O 3.32Å; V480-M558 WeakPolarHBondContact CG1-O 3.43Å; K481-M558 PolarHBondContact N-O 3.42Å; F485-M558 HydrophobicContact CB-CB 3.92Å; F485-M558 HydrophobicContact CB-CG 4.09Å; F485-M558 HydrophobicContact CB-SD 3.8Å; F485-M558 HydrophobicContact CD1-CE 3.91Å; F485-M558 HydrophobicContact CD1-SD 4.29Å; F485-M558 HydrophobicContact CD2-CB 4.05Å; F485-M558 HydrophobicContact CD2-CG 3.97Å; F485-M558 HydrophobicContact CE1-CE 4.28Å; F485-M558 HydrophobicContact CG-CB 4.23Å; F485-M558 HydrophobicContact CG-CE 4.12Å; F485-M558 HydrophobicContact CG-CG 4.03Å; F485-M558 HydrophobicContact CG-SD 3.96Å; Y488-M558 HydrophobicContact CD2-CE 3.88Å; Y488-M558 HydrophobicContact CD2-SD 3.74Å; Y488-M558 HydrophobicContact CE2-CE 4.21Å; Y488-M558 HydrophobicContact CG-SD 4.38Å; V489-M558 HydrophobicContact CG2-CB 4.5Å; F552-M558 HydrophobicContact CE2-CE 3.7Å; F552-M558 HydrophobicContact CZ-CE 3.64Å; T553-M558 HydrophobicContact CG2-CE 3.53Å; T553-M558 HydrophobicContact CG2-CG 4.13Å; L555-M558 HydrophobicContact CD1-SD 3.95Å; L555-M558 WeakPolarHBondContact O-CB 3.47Å; L555-M558 PolarHBondContact O-N 3.41Å; L555-M558 VanDerWaalsContact O-N 3.17Å; M558-V580 HydrophobicContact CE-CB 3.76Å; M558-V580 HydrophobicContact CE-CG1 3.7Å; M558-V580 HydrophobicContact CE-CG2 3.9Å; M558-V580 HydrophobicContact SD-CG2 4.12Å
559	F	90.4	Very high	89.4	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	156	-173.8	71.4	-83.2	0	0	0	112.2	V478 N479 V480 V489 L555 E557 M566 L569 V575	V478-F559 HydrophobicContact CG1-CB 4.17Å; V478-F559 HydrophobicContact CG1-CD2 3.71Å; V478-F559 HydrophobicContact CG1-CE2 4.47Å; V478-F559 HydrophobicContact CG1-CG 4.2Å; V478-F559 HydrophobicContact CG2-CD2 4.47Å; N479-F559 CarbonylContact O-C 3.48Å; N479-F559 WeakPolarHBondContact O-CA 3.37Å; N479-F559 WeakPolarHBondContact O-CB 3.48Å; V480-F559 HydrophobicContact CB-CB 4.49Å; V480-F559 HydrophobicContact CG2-CB 4.3Å; V489-F559 HydrophobicContact CB-CD1 4.45Å; V489-F559 HydrophobicContact CG1-CD1 3.99Å; V489-F559 HydrophobicContact CG1-CE1 4.14Å; V489-F559 HydrophobicContact CG1-CG 4.22Å; V489-F559 HydrophobicContact CG2-CB 4.29Å; V489-F559 HydrophobicContact CG2-CD1 3.53Å; V489-F559 HydrophobicContact CG2-CE1 4.16Å; V489-F559 HydrophobicContact CG2-CG 4.13Å; L555-F559 HydrophobicContact CG-CE1 4.45Å; L555-F559 WeakPolarHBondContact O-CD1 3.26Å; L555-F559 WeakPolarHBondContact O-CE1 3.4Å; E557-F559 VanDerWaalsContact C-N 3.34Å; E557-F559 PolarHBondContact O-N 2.99Å; F559-M566 HydrophobicContact CD2-CE 3.65Å; F559-M566 HydrophobicContact CE2-CE 3.34Å; F559-M566 HydrophobicContact CE2-SD 3.8Å; F559-M566 HydrophobicContact CZ-CE 4.03Å; F559-M566 HydrophobicContact CZ-SD 4Å; F559-L569 HydrophobicContact CE2-CD1 3.68Å; F559-L569 HydrophobicContact CZ-CD1 3.97Å; F559-V575 HydrophobicContact CZ-CB 4.44Å; F559-V575 HydrophobicContact CZ-CG1 4.35Å; F559-V575 HydrophobicContact CZ-CG2 4.21Å
560	D	87.6	Confident	89.7	Confident	73 Å²	73	25.8 Å²	25.8	39%	0.39	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	149	176.4	-56.3	-60.4	0	0	0	110.4	N479 K481	N479-D560 PolarHBondContact N-O 3Å; N479-D560 PolarHBondContact O-N 2.76Å; K481-D560 WeakPolarHBondContact CE-OD1 3.49Å; K481-D560 WeakPolarHBondContact CE-OD2 3.15Å; K481-D560 IonicContact NZ-OD1 2.76Å; K481-D560 PolarHBondContact NZ-OD1 2.82Å; K481-D560 IonicContact NZ-OD2 3.66Å
561	A	88.3	Confident	89.9	Confident	25 Å²	25	30.3 Å²	30.3	21%	0.207	15%	0.151	C	C	.	.			trans	-157.6	162.9	175.7	0	0	0	0	0	109.3	V478 V565 M566	V478-A561 HydrophobicContact CG2-CB 4.06Å; A561-V565 HydrophobicContact CB-CB 4.15Å; A561-V565 HydrophobicContact CB-CG1 4.01Å; A561-M566 HydrophobicContact CB-CB 4.5Å; A561-M566 HydrophobicContact CB-CE 3.98Å
562	P	89.2	Confident	89.8	Confident	41 Å²	41	35.2 Å²	35.2	27%	0.266	17%	0.174	S	C	.	.			trans	-55.4	155.9	172.7	-25.2	35.7	0	0	0	113	H471 V477 E564 V565 M566	H471-P562 WeakPolarHBondContact CE1-CB 3.43Å; V477-P562 HydrophobicContact CG1-CG 3.52Å; P562-E564 VanDerWaalsContact C-N 3.32Å; P562-E564 PolarHBondContact O-N 2.81Å; P562-V565 HydrophobicContact CB-CG2 4.36Å; P562-V565 HydrophobicContact CG-CG2 4.45Å; P562-V565 PolarHBondContact O-N 2.83Å; P562-V565 VanDerWaalsContact O-N 3.15Å; P562-M566 WeakPolarHBondContact O-CB 3.29Å; P562-M566 PolarHBondContact O-N 2.89Å
563	D	87.8	Confident	89.9	Confident	72 Å²	72	33.6 Å²	33.6	39%	0.385	17%	0.166	S	C	.	.	H	α-helix	trans	-58.9	-40.7	-169	-161.5	78.3	0	0	0	112.8	S533 S535 M566 S567	S533-D563 WeakPolarHBondContact CB-OD2 3.37Å; S533-D563 PolarHBondContact OG-OD2 2.71Å; S535-D563 WeakPolarHBondContact CB-OD1 3.35Å; S535-D563 PolarHBondContact OG-OD1 2.97Å; D563-M566 PolarHBondContact O-N 2.84Å; D563-S567 WeakPolarHBondContact O-CA 3.48Å; D563-S567 WeakPolarHBondContact O-CB 3.27Å; D563-S567 PolarHBondContact O-N 2.96Å
564	E	89.4	Confident	89.9	Confident	27 Å²	27	36.3 Å²	36.3	13%	0.126	18%	0.175	C	C	.	.	H	α-helix	trans	-68.7	-40.9	179.5	-56.8	90.9	156.5	0	0	112.4	N469 H471 Q504 A529 P562 Y568	N469-E564 WeakPolarHBondContact CB-OE1 3.46Å; N469-E564 PolarHBondContact ND2-OE1 2.89Å; H471-E564 IonicContact CD2-OE2 2.66Å; H471-E564 IonicContact CE1-OE2 3.78Å; H471-E564 IonicContact NE2-OE1 3.75Å; H471-E564 IonicContact NE2-OE2 3.67Å; H471-E564 PolarHBondContact NE2-OE2 3.4Å; Q504-E564 HydrophobicContact CB-CG 4.35Å; Q504-E564 HydrophobicContact CG-CG 4.29Å; A529-E564 HydrophobicContact CB-CB 3.82Å; P562-E564 VanDerWaalsContact C-N 3.32Å; P562-E564 PolarHBondContact O-N 2.81Å; E564-Y568 PolarHBondContact O-N 2.95Å
565	V	89.8	Confident	89.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.4	-48	175.3	-178.5	0	0	0	0	109.9	H471 M474 V477 V502 A561 P562 Y568 L569	H471-V565 HydrophobicContact CB-CG2 3.89Å; M474-V565 HydrophobicContact CB-CG1 4.36Å; M474-V565 HydrophobicContact CG-CG1 3.94Å; M474-V565 HydrophobicContact SD-CG1 4.11Å; V477-V565 HydrophobicContact CG1-CG2 4.37Å; V502-V565 HydrophobicContact CB-CG2 4.05Å; V502-V565 HydrophobicContact CG1-CG2 4.33Å; V502-V565 HydrophobicContact CG2-CG2 4.09Å; A561-V565 HydrophobicContact CB-CB 4.15Å; A561-V565 HydrophobicContact CB-CG1 4.01Å; P562-V565 HydrophobicContact CB-CG2 4.36Å; P562-V565 HydrophobicContact CG-CG2 4.45Å; P562-V565 PolarHBondContact O-N 2.83Å; P562-V565 VanDerWaalsContact O-N 3.15Å; V565-Y568 PolarHBondContact O-N 2.86Å; V565-L569 HydrophobicContact CG1-CD1 4.24Å; V565-L569 WeakPolarHBondContact O-CG 3.34Å; V565-L569 PolarHBondContact O-N 3.44Å
566	M	90.3	Very high	89.9	Confident	2 Å²	2	36 Å²	36	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-67.8	-36.1	-179.6	-171.3	60.2	75.8	0	0	111.9	R556 F559 A561 P562 D563 L569 C570 V575	R556-M566 WeakPolarHBondContact CD-SD 3.34Å; R556-M566 PolarHBondContact NE-SD 3.08Å; R556-M566 VanDerWaalsContact NE-SD 3.43Å; F559-M566 HydrophobicContact CD2-CE 3.65Å; F559-M566 HydrophobicContact CE2-CE 3.34Å; F559-M566 HydrophobicContact CE2-SD 3.8Å; F559-M566 HydrophobicContact CZ-CE 4.03Å; F559-M566 HydrophobicContact CZ-SD 4Å; A561-M566 HydrophobicContact CB-CB 4.5Å; A561-M566 HydrophobicContact CB-CE 3.98Å; P562-M566 WeakPolarHBondContact O-CB 3.29Å; P562-M566 PolarHBondContact O-N 2.89Å; D563-M566 PolarHBondContact O-N 2.84Å; M566-L569 PolarHBondContact O-N 3.4Å; M566-C570 WeakPolarHBondContact O-CB 3.42Å; M566-C570 PolarHBondContact O-N 2.91Å; M566-V575 HydrophobicContact SD-CG2 4.5Å
567	S	89.9	Confident	89.8	Confident	2 Å²	2	36 Å²	36	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-48.1	171.8	179	0	0	0	0	110.9	P530 E532 S533 C534 D563 L569 C570 F571	P530-S567 VanDerWaalsContact CG-OG 3.23Å; P530-S567 WeakPolarHBondContact CG-OG 3.28Å; E532-S567 PolarHBondContact O-OG 3.48Å; S533-S567 WeakPolarHBondContact CA-OG 3.25Å; C534-S567 PolarHBondContact N-OG 2.89Å; D563-S567 WeakPolarHBondContact O-CA 3.48Å; D563-S567 WeakPolarHBondContact O-CB 3.27Å; D563-S567 PolarHBondContact O-N 2.96Å; S567-L569 PolarHBondContact O-N 2.95Å; S567-C570 PolarHBondContact O-N 3.2Å; S567-F571 WeakPolarHBondContact O-CB 3.11Å; S567-F571 PolarHBondContact O-N 3.07Å
568	Y	91.5	Very high	90	Very high	26 Å²	26	31.4 Å²	31.4	10%	0.102	16%	0.156	C	C	.	.	H	α-helix	trans	-60.4	-44.6	174.5	178.8	-96.9	0	0	0	112.6	M474 I527 E564 V565 C570 F571 Q572 Y573	M474-Y568 HydrophobicContact CE-CD1 3.52Å; M474-Y568 HydrophobicContact CE-CE1 3.79Å; M474-Y568 HydrophobicContact CE-CG 4.46Å; I527-Y568 HydrophobicContact CD1-CE1 3.85Å; I527-Y568 HydrophobicContact CG2-CD1 4.05Å; I527-Y568 HydrophobicContact CG2-CD2 3.39Å; I527-Y568 HydrophobicContact CG2-CE1 3.99Å; I527-Y568 HydrophobicContact CG2-CE2 3.32Å; I527-Y568 HydrophobicContact CG2-CG 3.76Å; E564-Y568 PolarHBondContact O-N 2.95Å; V565-Y568 PolarHBondContact O-N 2.86Å; Y568-C570 PolarHBondContact O-N 2.9Å; Y568-F571 PolarHBondContact O-N 3.13Å; Y568-F571 VanDerWaalsContact O-N 3.1Å; Y568-Q572 HydrophobicContact CE1-CB 3.97Å; Y568-Q572 HydrophobicContact CE1-CG 4.27Å; Y568-Q572 HydrophobicContact CE2-CB 3.96Å; Y568-Q572 HydrophobicContact CE2-CG 4.46Å; Y568-Q572 WeakPolarHBondContact O-CB 3.4Å; Y568-Q572 PolarHBondContact O-N 3.04Å; Y568-Q572 WeakPolarHBondContact OH-CG 3.32Å; Y568-Y573 HydrophobicContact CE1-CD2 4.45Å; Y568-Y573 HydrophobicContact CE1-CE2 4.14Å
569	L	91.8	Very high	90.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	I	π-helix	trans	-65.4	-37.1	178.1	-66.5	175.6	0	0	0	112.4	M474 V478 I493 F559 V565 M566 S567 Y573 K574 V575	M474-L569 HydrophobicContact SD-CD2 3.98Å; M474-L569 HydrophobicContact SD-CG 4.39Å; V478-L569 HydrophobicContact CG2-CD1 4.47Å; I493-L569 HydrophobicContact CD1-CD1 3.9Å; I493-L569 HydrophobicContact CD1-CD2 3.61Å; I493-L569 HydrophobicContact CD1-CG 4.39Å; I493-L569 HydrophobicContact CG1-CD2 3.89Å; I493-L569 HydrophobicContact CG2-CD2 3.92Å; F559-L569 HydrophobicContact CE2-CD1 3.68Å; F559-L569 HydrophobicContact CZ-CD1 3.97Å; V565-L569 HydrophobicContact CG1-CD1 4.24Å; V565-L569 WeakPolarHBondContact O-CG 3.34Å; V565-L569 PolarHBondContact O-N 3.44Å; M566-L569 PolarHBondContact O-N 3.4Å; S567-L569 PolarHBondContact O-N 2.95Å; L569-Y573 HydrophobicContact CD2-CD2 3.91Å; L569-Y573 HydrophobicContact CD2-CE2 4.49Å; L569-Y573 CarbonylContact O-C 3.59Å; L569-Y573 WeakPolarHBondContact O-CA 3.44Å; L569-Y573 WeakPolarHBondContact O-CB 3.31Å; L569-Y573 PolarHBondContact O-N 2.91Å; L569-Y573 VanDerWaalsContact O-N 3.09Å; L569-K574 PolarHBondContact O-N 2.8Å; L569-K574 VanDerWaalsContact O-N 3.14Å; L569-V575 HydrophobicContact CB-CG1 4.32Å; L569-V575 HydrophobicContact CB-CG2 4.17Å
570	C	90.5	Very high	90.2	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.007	16%	0.156	C	C	.	.	I	π-helix	trans	-66.6	-36.1	169.5	-82.6	0	0	0	0	112.6	C534 M566 S567 Y568 K574 H576	C534-C570 HydrophobicContact CB-CB 3.77Å; C534-C570 WeakPolarHBondContact O-CB 3.48Å; C534-C570 PolarHBondContact O-SG 2.92Å; C534-C570 VanDerWaalsContact O-SG 3.35Å; M566-C570 WeakPolarHBondContact O-CB 3.42Å; M566-C570 PolarHBondContact O-N 2.91Å; S567-C570 PolarHBondContact O-N 3.2Å; Y568-C570 PolarHBondContact O-N 2.9Å; C570-K574 WeakPolarHBondContact O-CA 3.37Å; C570-K574 WeakPolarHBondContact O-CD 3.45Å; C570-K574 PolarHBondContact O-N 3.27Å; C570-H576 WeakPolarHBondContact CB-ND1 3.29Å; C570-H576 PolarHBondContact O-CE1 3.03Å; C570-H576 PolarHBondContact SG-ND1 2.64Å
571	F	89.7	Confident	90.3	Very high	100 Å²	100	27.9 Å²	27.9	44%	0.439	14%	0.137	S	C	.	.	I	π-helix	trans	-75.1	-53.7	-179	-177.8	-91.5	0	0	0	112.6	P530 C534 S567 Y568 K574	P530-F571 HydrophobicContact CB-CD2 4.23Å; P530-F571 HydrophobicContact CB-CG 4.24Å; P530-F571 HydrophobicContact CG-CB 3.98Å; P530-F571 HydrophobicContact CG-CD2 4.48Å; P530-F571 HydrophobicContact CG-CG 4.22Å; C534-F571 HydrophobicContact CB-CB 4.49Å; S567-F571 WeakPolarHBondContact O-CB 3.11Å; S567-F571 PolarHBondContact O-N 3.07Å; Y568-F571 PolarHBondContact O-N 3.13Å; Y568-F571 VanDerWaalsContact O-N 3.1Å; F571-K574 WeakPolarHBondContact O-CD 3.45Å; F571-K574 VanDerWaalsContact O-CE 3.26Å; F571-K574 WeakPolarHBondContact O-CE 3.38Å; F571-K574 PolarHBondContact O-NZ 3.01Å
572	Q	90.5	Very high	90.2	Very high	104 Å²	104	30 Å²	30	49%	0.486	15%	0.145	S	C	.	.	I	π-helix	trans	-79.7	-52	-175.1	-179.7	71	-8.8	0	0	112	Y568	Y568-Q572 HydrophobicContact CE1-CB 3.97Å; Y568-Q572 HydrophobicContact CE1-CG 4.27Å; Y568-Q572 HydrophobicContact CE2-CB 3.96Å; Y568-Q572 HydrophobicContact CE2-CG 4.46Å; Y568-Q572 WeakPolarHBondContact O-CB 3.4Å; Y568-Q572 PolarHBondContact O-N 3.04Å; Y568-Q572 WeakPolarHBondContact OH-CG 3.32Å
573	Y	90.6	Very high	90	Very high	38 Å²	38	35 Å²	35	15%	0.149	17%	0.165	C	C	.	.	I	π-helix	trans	-93.4	-11.8	-170.8	-71.8	-85	0	0	0	113.6	H492 I493 S494 D497 Y568 L569 V575	H492-Y573 WeakPolarHBondContact O-CD1 3.45Å; I493-Y573 HydrophobicContact CG2-CD2 4.32Å; I493-Y573 HydrophobicContact CG2-CE1 4.46Å; I493-Y573 HydrophobicContact CG2-CE2 3.95Å; S494-Y573 WeakPolarHBondContact CB-OH 3.46Å; S494-Y573 PolarHBondContact N-OH 3.34Å; S494-Y573 VanDerWaalsContact N-OH 3.08Å; D497-Y573 HydrophobicContact CB-CE2 4.45Å; D497-Y573 PolarHBondContact OD2-OH 3.05Å; Y568-Y573 HydrophobicContact CE1-CD2 4.45Å; Y568-Y573 HydrophobicContact CE1-CE2 4.14Å; L569-Y573 HydrophobicContact CD2-CD2 3.91Å; L569-Y573 HydrophobicContact CD2-CE2 4.49Å; L569-Y573 CarbonylContact O-C 3.59Å; L569-Y573 WeakPolarHBondContact O-CA 3.44Å; L569-Y573 WeakPolarHBondContact O-CB 3.31Å; L569-Y573 PolarHBondContact O-N 2.91Å; L569-Y573 VanDerWaalsContact O-N 3.09Å; Y573-V575 VanDerWaalsContact C-N 3.26Å; Y573-V575 PolarHBondContact O-N 2.97Å
574	K	90.8	Very high	89.9	Confident	88 Å²	88	36.6 Å²	36.6	38%	0.383	17%	0.17	S	C	.	.			trans	55.9	36.2	-177.6	-49.2	-52.9	-171.8	-165.4	0	113.1	L569 C570 F571 H576 D577	L569-K574 PolarHBondContact O-N 2.8Å; L569-K574 VanDerWaalsContact O-N 3.14Å; C570-K574 WeakPolarHBondContact O-CA 3.37Å; C570-K574 WeakPolarHBondContact O-CD 3.45Å; C570-K574 PolarHBondContact O-N 3.27Å; F571-K574 WeakPolarHBondContact O-CD 3.45Å; F571-K574 VanDerWaalsContact O-CE 3.26Å; F571-K574 WeakPolarHBondContact O-CE 3.38Å; F571-K574 PolarHBondContact O-NZ 3.01Å; K574-H576 PolarHBondContact O-N 2.84Å; K574-D577 HydrophobicContact CB-CB 4.49Å; K574-D577 PolarHBondContact O-N 3.42Å
575	V	91.4	Very high	89.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-55.4	-22.8	-175.6	-62.2	0	0	0	0	114.8	L555 R556 F559 M566 L569 Y573 D577	L555-V575 HydrophobicContact CD2-CG1 4.26Å; R556-V575 HydrophobicContact CB-CG2 4.23Å; R556-V575 WeakPolarHBondContact CB-O 3.46Å; R556-V575 PolarHBondContact N-O 3.42Å; F559-V575 HydrophobicContact CZ-CB 4.44Å; F559-V575 HydrophobicContact CZ-CG1 4.35Å; F559-V575 HydrophobicContact CZ-CG2 4.21Å; M566-V575 HydrophobicContact SD-CG2 4.5Å; L569-V575 HydrophobicContact CB-CG1 4.32Å; L569-V575 HydrophobicContact CB-CG2 4.17Å; Y573-V575 VanDerWaalsContact C-N 3.26Å; Y573-V575 PolarHBondContact O-N 2.97Å; V575-D577 VanDerWaalsContact C-N 3.3Å
576	H	90.5	Very high	89.6	Confident	9 Å²	9	39 Å²	39	4%	0.042	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-71.9	-18.3	173.3	57.6	-93.2	0	0	0	114.2	R537 A538 P539 Y554 R556 C570 K574	R537-H576 WeakPolarHBondContact CD-NE2 3.48Å; R537-H576 VanDerWaalsContact O-CB 3.25Å; R537-H576 WeakPolarHBondContact O-CB 3.26Å; A538-H576 PolarHBondContact O-CD2 3.28Å; P539-H576 WeakPolarHBondContact CA-O 3.29Å; P539-H576 VanDerWaalsContact CB-O 3.27Å; P539-H576 WeakPolarHBondContact CB-O 3.29Å; Y554-H576 VanDerWaalsContact CD1-O 3.24Å; Y554-H576 WeakPolarHBondContact CD1-O 3.08Å; R556-H576 HydrophobicContact CB-CB 4.26Å; R556-H576 HydrophobicContact CG-CB 4.38Å; C570-H576 WeakPolarHBondContact CB-ND1 3.29Å; C570-H576 PolarHBondContact O-CE1 3.03Å; C570-H576 PolarHBondContact SG-ND1 2.64Å; K574-H576 PolarHBondContact O-N 2.84Å
577	D	89.6	Confident	89.3	Confident	45 Å²	45	43.1 Å²	43.1	24%	0.241	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-116.9	11.6	-173.4	-155	33	0	0	0	112.8	S540 K574 V575 P579	S540-D577 WeakPolarHBondContact CB-OD1 3.26Å; S540-D577 PolarHBondContact N-OD1 2.84Å; S540-D577 PolarHBondContact OG-OD1 3.5Å; K574-D577 HydrophobicContact CB-CB 4.49Å; K574-D577 PolarHBondContact O-N 3.42Å; V575-D577 VanDerWaalsContact C-N 3.3Å; D577-P579 WeakPolarHBondContact O-CD 3.46Å
578	V	92	Very high	89.2	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.03	23%	0.23	C	C	.	.			trans	-107.2	101.6	-179.9	175.2	0	0	0	0	109.2	H492 L555 V600 Y602	H492-V578 WeakPolarHBondContact NE2-CG2 3.37Å; L555-V578 HydrophobicContact CB-CB 4.26Å; L555-V578 HydrophobicContact CB-CG1 4.3Å; L555-V578 HydrophobicContact CD2-CG1 4.24Å; L555-V578 PolarHBondContact N-O 3Å; V578-V600 HydrophobicContact CG1-CG1 4.38Å; V578-V600 HydrophobicContact CG2-CB 4.37Å; V578-Y602 HydrophobicContact CG1-CD2 3.75Å; V578-Y602 HydrophobicContact CG1-CE2 3.72Å
579	P	92.2	Very high	88.8	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	146.7	-179.6	33.9	-35.6	0	0	0	111.5	I543 L546 F551 Y554 D577 L598 L601 Y602	I543-P579 HydrophobicContact CD1-CB 4.48Å; L546-P579 HydrophobicContact CD1-CB 4.1Å; L546-P579 HydrophobicContact CD1-CG 4.22Å; F551-P579 HydrophobicContact CB-CB 4.35Å; F551-P579 HydrophobicContact CD1-CB 3.6Å; F551-P579 HydrophobicContact CD1-CG 3.97Å; F551-P579 HydrophobicContact CE1-CB 4.01Å; F551-P579 HydrophobicContact CE1-CG 3.86Å; F551-P579 HydrophobicContact CG-CB 3.99Å; F551-P579 HydrophobicContact CG-CG 4.44Å; F551-P579 HydrophobicContact CZ-CG 4.21Å; Y554-P579 HydrophobicContact CD1-CB 4.15Å; Y554-P579 HydrophobicContact CE1-CB 3.94Å; Y554-P579 HydrophobicContact CE1-CG 4.39Å; D577-P579 WeakPolarHBondContact O-CD 3.46Å; P579-L598 HydrophobicContact CG-CD2 3.99Å; P579-L601 HydrophobicContact CG-CB 4.33Å; P579-Y602 PolarHBondContact O-N 2.81Å; P579-Y602 VanDerWaalsContact O-N 3.13Å
580	V	91.4	Very high	88.3	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.9	177.2	-174.7	0	0	0	0	108.9	Y488 F552 T553 L555 M558 Y602	Y488-V580 HydrophobicContact CD1-CG1 4.14Å; Y488-V580 HydrophobicContact CD2-CG1 3.99Å; Y488-V580 HydrophobicContact CE1-CG1 4.08Å; Y488-V580 HydrophobicContact CE2-CG1 3.92Å; Y488-V580 HydrophobicContact CG-CG1 4.1Å; F552-V580 VanDerWaalsContact CD1-O 3.25Å; F552-V580 WeakPolarHBondContact CD1-O 3.27Å; F552-V580 HydrophobicContact CE1-CB 4.4Å; F552-V580 HydrophobicContact CE1-CG1 3.89Å; F552-V580 HydrophobicContact CZ-CB 4.38Å; F552-V580 HydrophobicContact CZ-CG1 3.88Å; F552-V580 PolarHBondContact N-O 2.94Å; T553-V580 PolarHBondContact O-N 3.39Å; L555-V580 HydrophobicContact CB-CG2 4.27Å; L555-V580 HydrophobicContact CD1-CG2 4.3Å; M558-V580 HydrophobicContact CE-CB 3.76Å; M558-V580 HydrophobicContact CE-CG1 3.7Å; M558-V580 HydrophobicContact CE-CG2 3.9Å; M558-V580 HydrophobicContact SD-CG2 4.12Å; V580-Y602 HydrophobicContact CG2-CD2 4.45Å
581	G	89.3	Confident	87.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	169.8	-175.5	0	0	0	0	0	112.6	G550 T585 Y602 T603 T604	G550-G581 VanDerWaalsContact O-CA 3.32Å; G550-G581 WeakPolarHBondContact O-CA 3.15Å; G581-T585 WeakPolarHBondContact CA-OG1 3.42Å; G581-Y602 PolarHBondContact N-O 3.46Å; G581-T603 CarbonylContact O-C 3.53Å; G581-T603 VanDerWaalsContact O-C 3.28Å; G581-T603 WeakPolarHBondContact O-CA 3.31Å; G581-T604 PolarHBondContact O-N 3.49Å
582	N	86.8	Confident	87.6	Confident	69 Å²	69	52.6 Å²	52.6	37%	0.369	27%	0.265	S	S	.	.			trans	-99.3	-161.1	-175.8	65.9	10.5	0	0	0	111.4	G550 Q584 T585 K586	G550-N582 PolarHBondContact O-N 3.04Å; G550-N582 PolarHBondContact O-OD1 2.86Å; N582-Q584 VanDerWaalsContact C-N 3.25Å; N582-Q584 PolarHBondContact O-N 3.04Å; N582-Q584 WeakPolarHBondContact OD1-CB 2.98Å; N582-Q584 PolarHBondContact OD1-N 3.29Å; N582-T585 PolarHBondContact N-OG1 3.41Å; N582-T585 WeakPolarHBondContact O-CB 3.48Å; N582-T585 PolarHBondContact O-N 2.74Å; N582-T585 VanDerWaalsContact O-N 3.11Å; N582-K586 PolarHBondContact O-N 3.43Å
583	E	85.1	Confident	87.2	Confident	148 Å²	148	49.1 Å²	49.1	69%	0.692	25%	0.25	S	C	*	.	H	α-helix	trans	-64.9	-26.4	179.3	-167.7	164.5	-153.3	0	0	113.3	T585 K586 A587 T604	E583-T585 VanDerWaalsContact C-N 3.3Å; E583-T585 PolarHBondContact O-N 3.01Å; E583-K586 WeakPolarHBondContact O-CB 3.47Å; E583-K586 PolarHBondContact O-N 3.21Å; E583-K586 VanDerWaalsContact O-N 3.12Å; E583-A587 PolarHBondContact O-N 2.92Å; E583-T604 PolarHBondContact N-OG1 2.97Å
584	Q	85.3	Confident	86.7	Confident	105 Å²	105	53.8 Å²	53.8	49%	0.491	27%	0.273	S	S	.	.	H	α-helix	trans	-64.3	-35.6	172.6	-166.5	-176.4	3.5	0	0	111.5	N582 K586 A587 L588	N582-Q584 VanDerWaalsContact C-N 3.25Å; N582-Q584 PolarHBondContact O-N 3.04Å; N582-Q584 WeakPolarHBondContact OD1-CB 2.98Å; N582-Q584 PolarHBondContact OD1-N 3.29Å; Q584-K586 VanDerWaalsContact C-N 3.32Å; Q584-A587 PolarHBondContact O-N 3.42Å; Q584-L588 HydrophobicContact CG-CD1 4.26Å; Q584-L588 WeakPolarHBondContact O-CG 3.28Å; Q584-L588 PolarHBondContact O-N 3.33Å
585	T	86.6	Confident	86.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-35.4	172.8	-50.3	0	0	0	0	111.8	F549 G550 F551 G581 N582 E583 L588 I589 T603	F549-T585 WeakPolarHBondContact O-CA 3.24Å; F549-T585 VanDerWaalsContact O-CB 3.28Å; F549-T585 WeakPolarHBondContact O-CB 3.39Å; F549-T585 PolarHBondContact O-OG1 3.31Å; G550-T585 WeakPolarHBondContact CA-OG1 3.49Å; G550-T585 PolarHBondContact O-OG1 3.28Å; F551-T585 HydrophobicContact CD1-CG2 4.23Å; F551-T585 HydrophobicContact CD2-CG2 4.49Å; F551-T585 HydrophobicContact CE1-CG2 3.63Å; F551-T585 HydrophobicContact CE2-CG2 3.93Å; F551-T585 HydrophobicContact CZ-CG2 3.47Å; F551-T585 VanDerWaalsContact CZ-CG2 3.47Å; G581-T585 WeakPolarHBondContact CA-OG1 3.42Å; N582-T585 PolarHBondContact N-OG1 3.41Å; N582-T585 WeakPolarHBondContact O-CB 3.48Å; N582-T585 PolarHBondContact O-N 2.74Å; N582-T585 VanDerWaalsContact O-N 3.11Å; E583-T585 VanDerWaalsContact C-N 3.3Å; E583-T585 PolarHBondContact O-N 3.01Å; T585-L588 PolarHBondContact O-N 2.98Å; T585-I589 WeakPolarHBondContact O-CA 3.27Å; T585-I589 PolarHBondContact O-N 3.13Å; T585-T603 HydrophobicContact CG2-CG2 4.1Å
586	K	85.4	Confident	84.9	Confident	78 Å²	78	55.7 Å²	55.7	34%	0.339	29%	0.291	S	S	.	.	H	α-helix	trans	-68.5	-39.8	174.7	-174.8	166.1	171.2	154	0	111.8	N582 E583 Q584 I589 T603 E606	N582-K586 PolarHBondContact O-N 3.43Å; E583-K586 WeakPolarHBondContact O-CB 3.47Å; E583-K586 PolarHBondContact O-N 3.21Å; E583-K586 VanDerWaalsContact O-N 3.12Å; Q584-K586 VanDerWaalsContact C-N 3.32Å; K586-I589 WeakPolarHBondContact O-CB 3.45Å; K586-I589 VanDerWaalsContact O-CG2 3.24Å; K586-I589 WeakPolarHBondContact O-CG2 3.07Å; K586-I589 PolarHBondContact O-N 3.22Å; K586-T603 HydrophobicContact CB-CG2 3.99Å; K586-E606 WeakPolarHBondContact CE-OE2 3.35Å; K586-E606 IonicContact NZ-OE2 2.71Å; K586-E606 PolarHBondContact NZ-OE2 3.03Å
587	A	85.3	Confident	84.2	Confident	87 Å²	87	57.1 Å²	57.1	72%	0.719	30%	0.297	S	S	*	.	H	α-helix	trans	-64.2	-40	173.9	0	0	0	0	0	112.9	E583 Q584 I589	E583-A587 PolarHBondContact O-N 2.92Å; Q584-A587 PolarHBondContact O-N 3.42Å; A587-I589 VanDerWaalsContact C-N 3.33Å; A587-I589 PolarHBondContact O-N 3.12Å
588	L	86.3	Confident	83.9	Confident	66 Å²	66	55.6 Å²	55.6	35%	0.346	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	8.7	-178.7	-64.5	173.9	0	0	0	114.3	F549 Q584 T585 K590 T591 V592	F549-L588 HydrophobicContact CD1-CD1 4.46Å; Q584-L588 HydrophobicContact CG-CD1 4.26Å; Q584-L588 WeakPolarHBondContact O-CG 3.28Å; Q584-L588 PolarHBondContact O-N 3.33Å; T585-L588 PolarHBondContact O-N 2.98Å; L588-K590 VanDerWaalsContact C-N 3.26Å; L588-K590 PolarHBondContact O-N 3.17Å; L588-T591 PolarHBondContact O-N 3.08Å; L588-T591 VanDerWaalsContact O-N 3.1Å; L588-V592 HydrophobicContact CB-CG2 4.28Å; L588-V592 WeakPolarHBondContact O-CG2 3.48Å; L588-V592 PolarHBondContact O-N 3.48Å
589	I	84.2	Confident	83.5	Confident	23 Å²	23	62.8 Å²	62.8	12%	0.118	32%	0.319	C	S	.	.	H	α-helix	trans	-58.3	-31.5	-163.2	-167.8	57.8	0	0	0	114.8	T585 K586 A587 V592 I593 L601 T603 Y608	T585-I589 WeakPolarHBondContact O-CA 3.27Å; T585-I589 PolarHBondContact O-N 3.13Å; K586-I589 WeakPolarHBondContact O-CB 3.45Å; K586-I589 VanDerWaalsContact O-CG2 3.24Å; K586-I589 WeakPolarHBondContact O-CG2 3.07Å; K586-I589 PolarHBondContact O-N 3.22Å; A587-I589 VanDerWaalsContact C-N 3.33Å; A587-I589 PolarHBondContact O-N 3.12Å; I589-V592 HydrophobicContact CD1-CB 4.46Å; I589-V592 HydrophobicContact CD1-CG1 4.47Å; I589-V592 PolarHBondContact O-N 3.2Å; I589-I593 HydrophobicContact CD1-CD1 4.32Å; I589-I593 HydrophobicContact CD1-CG1 4.3Å; I589-I593 HydrophobicContact CG1-CD1 3.83Å; I589-I593 HydrophobicContact CG1-CG1 4.32Å; I589-I593 WeakPolarHBondContact O-CD1 3.41Å; I589-I593 VanDerWaalsContact O-CG1 3.26Å; I589-I593 WeakPolarHBondContact O-CG1 3.46Å; I589-I593 PolarHBondContact O-N 2.88Å; I589-L601 HydrophobicContact CD1-CD1 3.94Å; I589-T603 HydrophobicContact CD1-CG2 4.49Å; I589-Y608 HydrophobicContact CD1-CD1 4.19Å; I589-Y608 HydrophobicContact CD1-CD2 3.76Å; I589-Y608 HydrophobicContact CD1-CE1 4.27Å; I589-Y608 HydrophobicContact CD1-CE2 3.84Å; I589-Y608 HydrophobicContact CD1-CG 3.95Å; I589-Y608 HydrophobicContact CG1-CD1 4.13Å; I589-Y608 HydrophobicContact CG1-CD2 4.23Å; I589-Y608 HydrophobicContact CG1-CE1 3.77Å; I589-Y608 HydrophobicContact CG1-CE2 3.86Å; I589-Y608 HydrophobicContact CG1-CG 4.36Å
590	K	81.3	Confident	83.4	Confident	167 Å²	167	64 Å²	64	73%	0.726	33%	0.327	S	S	*	.	H	α-helix	trans	-59.3	-52.8	176.5	-68	-177.1	178.8	179.1	0	111.5	L588 V592 I593 E594	L588-K590 VanDerWaalsContact C-N 3.26Å; L588-K590 PolarHBondContact O-N 3.17Å; K590-V592 VanDerWaalsContact C-N 3.3Å; K590-V592 PolarHBondContact O-N 3.14Å; K590-I593 PolarHBondContact O-N 3.05Å; K590-E594 PolarHBondContact O-N 3.32Å
591	T	82.3	Confident	83.4	Confident	72 Å²	72	64 Å²	64	44%	0.442	33%	0.327	S	S	.	.	H	α-helix	trans	-64.2	-35.6	177.6	-49.8	0	0	0	0	111.7	F549 L588 I593 E594	F549-T591 HydrophobicContact CE1-CG2 4.15Å; L588-T591 PolarHBondContact O-N 3.08Å; L588-T591 VanDerWaalsContact O-N 3.1Å; T591-I593 VanDerWaalsContact C-N 3.34Å; T591-I593 PolarHBondContact O-N 3.41Å; T591-E594 PolarHBondContact O-N 2.65Å
592	V	83.4	Confident	83.6	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-69.2	-30.2	179	175	0	0	0	0	112.6	F549 F551 L588 I589 K590 L598 L601	F549-V592 HydrophobicContact CB-CG2 3.75Å; F549-V592 HydrophobicContact CD1-CG2 3.96Å; F549-V592 HydrophobicContact CD2-CG2 4.48Å; F549-V592 HydrophobicContact CG-CG2 3.85Å; F551-V592 HydrophobicContact CE2-CG1 3.77Å; F551-V592 HydrophobicContact CZ-CG1 3.76Å; L588-V592 HydrophobicContact CB-CG2 4.28Å; L588-V592 WeakPolarHBondContact O-CG2 3.48Å; L588-V592 PolarHBondContact O-N 3.48Å; I589-V592 HydrophobicContact CD1-CB 4.46Å; I589-V592 HydrophobicContact CD1-CG1 4.47Å; I589-V592 PolarHBondContact O-N 3.2Å; K590-V592 VanDerWaalsContact C-N 3.3Å; K590-V592 PolarHBondContact O-N 3.14Å; V592-L598 HydrophobicContact CG1-CD1 3.82Å; V592-L601 HydrophobicContact CG1-CD2 3.66Å
593	I	82.4	Confident	83.7	Confident	32 Å²	32	60.7 Å²	60.7	16%	0.164	31%	0.309	C	S	.	.	H	α-helix	trans	-73.2	-27.9	175.2	-73.8	161.9	0	0	0	112.2	I589 K590 T591 Y608 V610 I619 T621	I589-I593 HydrophobicContact CD1-CD1 4.32Å; I589-I593 HydrophobicContact CD1-CG1 4.3Å; I589-I593 HydrophobicContact CG1-CD1 3.83Å; I589-I593 HydrophobicContact CG1-CG1 4.32Å; I589-I593 WeakPolarHBondContact O-CD1 3.41Å; I589-I593 VanDerWaalsContact O-CG1 3.26Å; I589-I593 WeakPolarHBondContact O-CG1 3.46Å; I589-I593 PolarHBondContact O-N 2.88Å; K590-I593 PolarHBondContact O-N 3.05Å; T591-I593 VanDerWaalsContact C-N 3.34Å; T591-I593 PolarHBondContact O-N 3.41Å; I593-Y608 HydrophobicContact CD1-CD1 4.15Å; I593-Y608 HydrophobicContact CD1-CE1 4.38Å; I593-V610 HydrophobicContact CG1-CG2 4.33Å; I593-V610 HydrophobicContact CG2-CG2 4.42Å; I593-I619 HydrophobicContact CG2-CG2 4.3Å; I593-T621 HydrophobicContact CD1-CG2 3.85Å; I593-T621 HydrophobicContact CG1-CG2 4.12Å; I593-T621 HydrophobicContact CG2-CG2 4.37Å; I593-T621 VanDerWaalsContact CG2-OG1 3.26Å; I593-T621 WeakPolarHBondContact CG2-OG1 3.35Å
594	E	78.8	Confident	83.6	Confident	135 Å²	135	55.6 Å²	55.6	63%	0.631	29%	0.288	S	S	*	.	H	α-helix	trans	-78.5	-19.5	-179.5	-69.3	169	174.9	0	0	112.8	K590 T591 P596	K590-E594 PolarHBondContact O-N 3.32Å; T591-E594 PolarHBondContact O-N 2.65Å; E594-P596 WeakPolarHBondContact O-CD 3.45Å
595	E	78.4	Confident	83.6	Confident	35 Å²	35	54.3 Å²	54.3	16%	0.164	28%	0.284	C	S	.	.	S	Bend	trans	-67.2	111.2	177.9	-75	-82	-150.4	0	0	111.5	R548 F549 Y597 L598	R548-E595 IonicContact CZ-OE1 2.73Å; R548-E595 IonicContact NH2-OE1 3.8Å; R548-E595 PolarHBondContact NH2-OE1 3.26Å; F549-E595 HydrophobicContact CE2-CG 3.95Å; F549-E595 WeakPolarHBondContact CE2-OE1 3.4Å; F549-E595 HydrophobicContact CZ-CG 4.03Å; F549-E595 WeakPolarHBondContact CZ-OE1 3.47Å; E595-Y597 HydrophobicContact CB-CE1 4.06Å; E595-Y597 HydrophobicContact CB-CE2 4.42Å; E595-Y597 PolarHBondContact O-N 3.22Å; E595-Y597 PolarHBondContact OE1-OH 2.86Å; E595-Y597 VanDerWaalsContact OE1-OH 3.07Å; E595-Y597 WeakPolarHBondContact OE2-CE1 3.21Å; E595-Y597 PolarHBondContact OE2-OH 2.86Å; E595-L598 HydrophobicContact CB-CD1 4.46Å; E595-L598 PolarHBondContact O-N 2.86Å
596	P	67.3	Low	83.7	Confident	93 Å²	93	56 Å²	56	60%	0.604	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	4.6	-156.6	28.6	-37.3	0	0	0	116.1	E594	E594-P596 WeakPolarHBondContact O-CD 3.45Å
597	Y	75	Confident	84	Confident	40 Å²	40	55 Å²	55	16%	0.157	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-17.7	-177.3	44.3	-86.6	0	0	0	113.7	R541 L546 E595 K599	R541-Y597 VanDerWaalsContact CZ-CE1 3.45Å; R541-Y597 PolarHBondContact NH1-OH 3.32Å; L546-Y597 HydrophobicContact CD2-CE2 3.92Å; E595-Y597 HydrophobicContact CB-CE1 4.06Å; E595-Y597 HydrophobicContact CB-CE2 4.42Å; E595-Y597 PolarHBondContact O-N 3.22Å; E595-Y597 PolarHBondContact OE1-OH 2.86Å; E595-Y597 VanDerWaalsContact OE1-OH 3.07Å; E595-Y597 WeakPolarHBondContact OE2-CE1 3.21Å; E595-Y597 PolarHBondContact OE2-OH 2.86Å; Y597-K599 PolarHBondContact O-N 2.86Å
598	L	82.3	Confident	84.2	Confident	13 Å²	13	52 Å²	52	7%	0.068	26%	0.256	C	S	.	.			trans	-83.8	109.2	-178.7	-63	-178.6	0	0	0	111.1	L546 F551 P579 V592 E595 L601 V610	L546-L598 HydrophobicContact CD1-CD2 4.34Å; F551-L598 HydrophobicContact CE2-CD1 3.99Å; F551-L598 HydrophobicContact CZ-CD1 4.26Å; P579-L598 HydrophobicContact CG-CD2 3.99Å; V592-L598 HydrophobicContact CG1-CD1 3.82Å; E595-L598 HydrophobicContact CB-CD1 4.46Å; E595-L598 PolarHBondContact O-N 2.86Å; L598-L601 HydrophobicContact CB-CD2 4.25Å; L598-L601 HydrophobicContact CD1-CD2 4.28Å; L598-V610 WeakPolarHBondContact O-CB 3.31Å
599	K	85.5	Confident	84.2	Confident	155 Å²	155	50 Å²	50	67%	0.674	25%	0.247	S	C	*	.	S	Bend	trans	-93.2	-39.8	-177.8	-65.1	174.3	-176.2	169.2	0	113.5	Y597 T609 V610	Y597-K599 PolarHBondContact O-N 2.86Å; K599-T609 WeakPolarHBondContact O-CA 3.48Å; K599-V610 PolarHBondContact O-N 2.8Å
600	V	90.1	Very high	84.4	Confident	26 Å²	26	49.8 Å²	49.8	16%	0.158	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	135.6	175.9	-177.5	0	0	0	0	107.7	H492 V578 Y602 R607 Y608 T609	H492-V600 WeakPolarHBondContact NE2-CG1 3.35Å; V578-V600 HydrophobicContact CG1-CG1 4.38Å; V578-V600 HydrophobicContact CG2-CB 4.37Å; V600-Y602 HydrophobicContact CG1-CE2 4.4Å; V600-R607 HydrophobicContact CG1-CG 4.34Å; V600-Y608 WeakPolarHBondContact CA-O 3.3Å; V600-T609 HydrophobicContact CG2-CG2 4.22Å
601	L	91.3	Very high	84.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	157.3	-179.7	65.6	93.7	0	0	0	110.8	F551 P579 I589 V592 L598 T603 Y608	F551-L601 HydrophobicContact CE1-CB 3.94Å; F551-L601 HydrophobicContact CE1-CD1 4.31Å; F551-L601 HydrophobicContact CZ-CB 3.97Å; F551-L601 HydrophobicContact CZ-CD1 4.11Å; F551-L601 HydrophobicContact CZ-CD2 4.23Å; F551-L601 HydrophobicContact CZ-CG 4.32Å; P579-L601 HydrophobicContact CG-CB 4.33Å; I589-L601 HydrophobicContact CD1-CD1 3.94Å; V592-L601 HydrophobicContact CG1-CD2 3.66Å; L598-L601 HydrophobicContact CB-CD2 4.25Å; L598-L601 HydrophobicContact CD1-CD2 4.28Å; L601-T603 HydrophobicContact CD1-CG2 4.47Å; L601-Y608 HydrophobicContact CD1-CD2 4.1Å; L601-Y608 HydrophobicContact CD1-CG 4.39Å; L601-Y608 PolarHBondContact N-O 3.31Å; L601-Y608 VanDerWaalsContact N-O 3.08Å; L601-Y608 PolarHBondContact O-N 2.83Å
602	Y	91.9	Very high	84.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.6	175.3	-71.8	-97.2	0	0	0	110.8	Y488 N491 H492 V578 P579 V580 G581 V600 R607 V626	Y488-Y602 AromaticContact CD1-CD1 3.79Å; Y488-Y602 HydrophobicContact CD1-CD1 3.79Å; Y488-Y602 HydrophobicContact CD1-CG 4.14Å; N491-Y602 PolarHBondContact O-OH 3.45Å; H492-Y602 WeakPolarHBondContact CA-OH 3.47Å; H492-Y602 HydrophobicContact CB-CE2 4.39Å; H492-Y602 VanDerWaalsContact CB-OH 3.23Å; H492-Y602 WeakPolarHBondContact CB-OH 3.23Å; H492-Y602 AromaticContact CE1-CE2 2.7Å; H492-Y602 WeakPolarHBondContact CE1-CE2 3.43Å; H492-Y602 AromaticContact CE1-CZ 2.77Å; H492-Y602 PolarHBondContact CE1-OH 3.13Å; H492-Y602 PolarHBondContact N-OH 3.01Å; H492-Y602 AromaticContact ND1-CE2 3.46Å; H492-Y602 WeakPolarHBondContact ND1-CE2 3.45Å; H492-Y602 AromaticContact ND1-CZ 3.67Å; H492-Y602 PolarHBondContact ND1-OH 3.3Å; V578-Y602 HydrophobicContact CG1-CD2 3.75Å; V578-Y602 HydrophobicContact CG1-CE2 3.72Å; P579-Y602 PolarHBondContact O-N 2.81Å; P579-Y602 VanDerWaalsContact O-N 3.13Å; V580-Y602 HydrophobicContact CG2-CD2 4.45Å; G581-Y602 PolarHBondContact N-O 3.46Å; V600-Y602 HydrophobicContact CG1-CE2 4.4Å; Y602-R607 HydrophobicContact CD1-CB 3.94Å; Y602-R607 HydrophobicContact CD1-CG 4.39Å; Y602-R607 HydrophobicContact CE1-CB 3.61Å; Y602-R607 HydrophobicContact CE1-CG 3.82Å; Y602-R607 HydrophobicContact CE2-CG 4.25Å; Y602-R607 WeakPolarHBondContact OH-CD 3.15Å; Y602-R607 PolarHBondContact OH-NH1 2.83Å; Y602-V626 HydrophobicContact CD1-CG2 3.69Å; Y602-V626 HydrophobicContact CE1-CG2 3.97Å
603	T	88.9	Confident	84	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.26	C	S	.	.			trans	-97.7	-173.1	157.8	65.1	0	0	0	0	108.9	Y488 G581 T585 K586 I589 L601 D605 E606 Y608	Y488-T603 WeakPolarHBondContact CE1-O 3.41Å; G581-T603 CarbonylContact O-C 3.53Å; G581-T603 VanDerWaalsContact O-C 3.28Å; G581-T603 WeakPolarHBondContact O-CA 3.31Å; T585-T603 HydrophobicContact CG2-CG2 4.1Å; K586-T603 HydrophobicContact CB-CG2 3.99Å; I589-T603 HydrophobicContact CD1-CG2 4.49Å; L601-T603 HydrophobicContact CD1-CG2 4.47Å; T603-D605 VanDerWaalsContact C-N 3.26Å; T603-D605 PolarHBondContact O-N 3.42Å; T603-E606 PolarHBondContact N-O 3.34Å; T603-E606 PolarHBondContact OG1-N 3.38Å; T603-E606 PolarHBondContact OG1-O 3.36Å; T603-Y608 HydrophobicContact CG2-CD2 4.31Å; T603-Y608 HydrophobicContact CG2-CE2 4.07Å
604	T	84.1	Confident	83.3	Confident	41 Å²	41	61.4 Å²	61.4	25%	0.252	29%	0.292	S	S	.	.	S	Bend	trans	-48	-46.5	174.8	-42.8	0	0	0	0	112.7	K487 Y488 G581 E583	K487-T604 WeakPolarHBondContact CE-O 3.46Å; K487-T604 PolarHBondContact NZ-O 3.1Å; Y488-T604 PolarHBondContact OH-O 3.09Å; G581-T604 PolarHBondContact O-N 3.49Å; E583-T604 PolarHBondContact N-OG1 2.97Å
605	D	85.3	Confident	82.9	Confident	77 Å²	77	65.4 Å²	65.4	41%	0.412	30%	0.303	S	S	.	.	S	Bend	trans	-134.2	-1.1	-168.1	-49.5	-58.3	0	0	0	114.5	K487 T603 V626	K487-D605 IonicContact NZ-OD1 3.69Å; K487-D605 PolarHBondContact NZ-OD1 3.32Å; T603-D605 VanDerWaalsContact C-N 3.26Å; T603-D605 PolarHBondContact O-N 3.42Å; D605-V626 PolarHBondContact O-N 2.97Å
606	E	89.1	Confident	82.9	Confident	35 Å²	35	67 Å²	67	16%	0.164	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131	-179.5	-70.4	175.3	96.6	0	0	112.4	K586 T603 Y608 N623 S624	K586-E606 WeakPolarHBondContact CE-OE2 3.35Å; K586-E606 IonicContact NZ-OE2 2.71Å; K586-E606 PolarHBondContact NZ-OE2 3.03Å; T603-E606 PolarHBondContact N-O 3.34Å; T603-E606 PolarHBondContact OG1-N 3.38Å; T603-E606 PolarHBondContact OG1-O 3.36Å; E606-Y608 HydrophobicContact CB-CD2 4.26Å; E606-Y608 HydrophobicContact CB-CE2 3.62Å; E606-Y608 PolarHBondContact OE1-OH 3.29Å; E606-N623 PolarHBondContact OE1-ND2 2.91Å; E606-S624 CarbonylContact C-O 3.56Å; E606-S624 WeakPolarHBondContact CA-O 3.43Å
607	R	90.6	Very high	83	Confident	57 Å²	57	67.5 Å²	67.5	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	122.3	169.4	175.4	-167.9	178.2	152.2	2.1	108.8	N491 H492 V600 Y602 N623 S624 V626	N491-R607 PolarHBondContact O-NH1 3.42Å; H492-R607 VanDerWaalsContact CE1-CZ 3.44Å; H492-R607 PolarHBondContact O-NH1 2.88Å; V600-R607 HydrophobicContact CG1-CG 4.34Å; Y602-R607 HydrophobicContact CD1-CB 3.94Å; Y602-R607 HydrophobicContact CD1-CG 4.39Å; Y602-R607 HydrophobicContact CE1-CB 3.61Å; Y602-R607 HydrophobicContact CE1-CG 3.82Å; Y602-R607 HydrophobicContact CE2-CG 4.25Å; Y602-R607 WeakPolarHBondContact OH-CD 3.15Å; Y602-R607 PolarHBondContact OH-NH1 2.83Å; R607-N623 CarbonylContact O-C 3.41Å; R607-N623 WeakPolarHBondContact O-CA 3.21Å; R607-S624 PolarHBondContact N-O 2.92Å; R607-S624 PolarHBondContact O-N 3.5Å; R607-S624 PolarHBondContact O-OG 3.37Å; R607-V626 HydrophobicContact CB-CG2 4.29Å
608	Y	88.9	Confident	83.2	Confident	24 Å²	24	73 Å²	73	9%	0.094	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141.1	173.1	-70.1	-99.3	0	0	0	110.5	I589 I593 V600 L601 T603 E606 T621 N623	I589-Y608 HydrophobicContact CD1-CD1 4.19Å; I589-Y608 HydrophobicContact CD1-CD2 3.76Å; I589-Y608 HydrophobicContact CD1-CE1 4.27Å; I589-Y608 HydrophobicContact CD1-CE2 3.84Å; I589-Y608 HydrophobicContact CD1-CG 3.95Å; I589-Y608 HydrophobicContact CG1-CD1 4.13Å; I589-Y608 HydrophobicContact CG1-CD2 4.23Å; I589-Y608 HydrophobicContact CG1-CE1 3.77Å; I589-Y608 HydrophobicContact CG1-CE2 3.86Å; I589-Y608 HydrophobicContact CG1-CG 4.36Å; I593-Y608 HydrophobicContact CD1-CD1 4.15Å; I593-Y608 HydrophobicContact CD1-CE1 4.38Å; V600-Y608 WeakPolarHBondContact CA-O 3.3Å; L601-Y608 HydrophobicContact CD1-CD2 4.1Å; L601-Y608 HydrophobicContact CD1-CG 4.39Å; L601-Y608 PolarHBondContact N-O 3.31Å; L601-Y608 VanDerWaalsContact N-O 3.08Å; L601-Y608 PolarHBondContact O-N 2.83Å; T603-Y608 HydrophobicContact CG2-CD2 4.31Å; T603-Y608 HydrophobicContact CG2-CE2 4.07Å; E606-Y608 HydrophobicContact CB-CD2 4.26Å; E606-Y608 HydrophobicContact CB-CE2 3.62Å; E606-Y608 PolarHBondContact OE1-OH 3.29Å; Y608-T621 HydrophobicContact CD1-CG2 4.07Å; Y608-N623 HydrophobicContact CD1-CB 3.73Å; Y608-N623 HydrophobicContact CE1-CB 3.53Å; Y608-N623 HydrophobicContact CG-CB 4.3Å
609	T	88.1	Confident	83	Confident	25 Å²	25	75.9 Å²	75.9	15%	0.153	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	123.1	172.4	-61.8	0	0	0	0	108.8	K599 V600 K611 T621 S622	K599-T609 WeakPolarHBondContact O-CA 3.48Å; V600-T609 HydrophobicContact CG2-CG2 4.22Å; T609-K611 HydrophobicContact CG2-CG 4.39Å; T609-T621 WeakPolarHBondContact O-CA 3.18Å; T609-S622 PolarHBondContact N-O 2.79Å; T609-S622 PolarHBondContact O-N 2.86Å
610	V	87	Confident	82.7	Confident	19 Å²	19	72.4 Å²	72.4	12%	0.115	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.1	-175.1	-174.2	0	0	0	0	108.5	I593 L598 K599 I619 T621	I593-V610 HydrophobicContact CG1-CG2 4.33Å; I593-V610 HydrophobicContact CG2-CG2 4.42Å; L598-V610 WeakPolarHBondContact O-CB 3.31Å; K599-V610 PolarHBondContact O-N 2.8Å; V610-I619 HydrophobicContact CG1-CG2 3.53Å; V610-T621 HydrophobicContact CG2-CG2 4.26Å
611	K	81.9	Confident	82.4	Confident	142 Å²	142	73.8 Å²	73.8	62%	0.617	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	119	-179.8	-68.7	-178.8	179.8	176.8	0	109.7	T609 S620	T609-K611 HydrophobicContact CG2-CG 4.39Å; K611-S620 PolarHBondContact N-O 3.21Å; K611-S620 PolarHBondContact O-N 3.09Å
612	R	80.8	Confident	82.1	Confident	138 Å²	138	76.7 Å²	76.7	52%	0.521	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.4	173	-164.1	167.4	176.9	163.7	-2.2	109.5	F614 N617 I619	R612-F614 PolarHBondContact O-N 2.9Å; R612-N617 WeakPolarHBondContact CG-O 3.49Å; R612-N617 VanDerWaalsContact CZ-OD1 3.23Å; R612-N617 PolarHBondContact NE-O 2.83Å; R612-N617 PolarHBondContact NE-OD1 2.83Å; R612-N617 PolarHBondContact NH2-OD1 3.01Å; R612-I619 HydrophobicContact CG-CG1 4.41Å
613	S	75.4	Confident	81.9	Confident	44 Å²	44	81.1 Å²	81.1	31%	0.308	40%	0.403	S	S	.	.			trans	-66.9	123.9	178.8	172.7	0	0	0	0	110.5	Y615 S616 N617 K618	S613-Y615 VanDerWaalsContact C-N 3.3Å; S613-Y615 PolarHBondContact O-N 2.88Å; S613-S616 VanDerWaalsContact CB-OG 3.23Å; S613-S616 WeakPolarHBondContact CB-OG 3.38Å; S613-S616 PolarHBondContact OG-N 2.86Å; S613-S616 PolarHBondContact OG-OG 3.09Å; S613-N617 WeakPolarHBondContact O-CA 3.32Å; S613-N617 PolarHBondContact O-N 2.89Å; S613-K618 PolarHBondContact N-O 2.72Å
614	F	68.8	Low	81.9	Confident	190 Å²	190	83.7 Å²	83.7	83%	0.833	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-37	179.6	-169.5	-98.4	0	0	0	112.4	R612	R612-F614 PolarHBondContact O-N 2.9Å
615	Y	71.1	Confident	82.1	Confident	219 Å²	219	84.4 Å²	84.4	86%	0.859	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-31.6	-175	-60.3	-78.4	0	0	0	114.5	S613	S613-Y615 VanDerWaalsContact C-N 3.3Å; S613-Y615 PolarHBondContact O-N 2.88Å
616	S	76.6	Confident	82.2	Confident	70 Å²	70	81.4 Å²	81.4	49%	0.49	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-1.5	-174.8	61.3	0	0	0	0	114.1	S613 K618	S613-S616 VanDerWaalsContact CB-OG 3.23Å; S613-S616 WeakPolarHBondContact CB-OG 3.38Å; S613-S616 PolarHBondContact OG-N 2.86Å; S613-S616 PolarHBondContact OG-OG 3.09Å; S616-K618 PolarHBondContact O-N 2.9Å
617	N	70.1	Confident	82.1	Confident	102 Å²	102	85.2 Å²	85.2	55%	0.545	43%	0.433	S	S	.	.			trans	58.3	-4.1	179.9	-134.8	-10.6	0	0	0	116.1	R612 S613	R612-N617 WeakPolarHBondContact CG-O 3.49Å; R612-N617 VanDerWaalsContact CZ-OD1 3.23Å; R612-N617 PolarHBondContact NE-O 2.83Å; R612-N617 PolarHBondContact NE-OD1 2.83Å; R612-N617 PolarHBondContact NH2-OD1 3.01Å; S613-N617 WeakPolarHBondContact O-CA 3.32Å; S613-N617 PolarHBondContact O-N 2.89Å
618	K	78.5	Confident	81.7	Confident	156 Å²	156	87.3 Å²	87.3	68%	0.678	45%	0.454	S	S	*	.			trans	-65.6	142.6	177.1	-66.5	-174.5	179.7	-176.4	0	111.3	S613 S616	S613-K618 PolarHBondContact N-O 2.72Å; S616-K618 PolarHBondContact O-N 2.9Å
619	I	79.2	Confident	81.4	Confident	74 Å²	74	87.1 Å²	87.1	38%	0.379	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	133.5	172.3	-60.4	173.8	0	0	0	108.6	I593 V610 R612	I593-I619 HydrophobicContact CG2-CG2 4.3Å; V610-I619 HydrophobicContact CG1-CG2 3.53Å; R612-I619 HydrophobicContact CG-CG1 4.41Å
620	S	79.9	Confident	81	Confident	82 Å²	82	90.6 Å²	90.6	57%	0.573	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.2	169.5	178.6	0	0	0	0	108.3	K611	K611-S620 PolarHBondContact N-O 3.21Å; K611-S620 PolarHBondContact O-N 3.09Å
621	T	82.4	Confident	80.4	Confident	55 Å²	55	90.9 Å²	90.9	34%	0.337	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.8	-174.3	-55.9	0	0	0	0	110	I593 Y608 T609 V610	I593-T621 HydrophobicContact CD1-CG2 3.85Å; I593-T621 HydrophobicContact CG1-CG2 4.12Å; I593-T621 HydrophobicContact CG2-CG2 4.37Å; I593-T621 VanDerWaalsContact CG2-OG1 3.26Å; I593-T621 WeakPolarHBondContact CG2-OG1 3.35Å; Y608-T621 HydrophobicContact CD1-CG2 4.07Å; T609-T621 WeakPolarHBondContact O-CA 3.18Å; V610-T621 HydrophobicContact CG2-CG2 4.26Å
622	S	86	Confident	80.3	Confident	61 Å²	61	84.1 Å²	84.1	43%	0.427	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.8	172.1	56.1	0	0	0	0	110	T609	T609-S622 PolarHBondContact N-O 2.79Å; T609-S622 PolarHBondContact O-N 2.86Å
623	N	86.9	Confident	79.8	Confident	93 Å²	93	79.6 Å²	79.6	50%	0.497	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	161.8	170.5	68	-37.6	0	0	0	111.6	E606 R607 Y608	E606-N623 PolarHBondContact OE1-ND2 2.91Å; R607-N623 CarbonylContact O-C 3.41Å; R607-N623 WeakPolarHBondContact O-CA 3.21Å; Y608-N623 HydrophobicContact CD1-CB 3.73Å; Y608-N623 HydrophobicContact CE1-CB 3.53Å; Y608-N623 HydrophobicContact CG-CB 4.3Å
624	S	88.9	Confident	79.6	Confident	53 Å²	53	79.1 Å²	79.1	37%	0.371	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	145	178.6	46.1	0	0	0	0	109.2	E606 R607	E606-S624 CarbonylContact C-O 3.56Å; E606-S624 WeakPolarHBondContact CA-O 3.43Å; R607-S624 PolarHBondContact N-O 2.92Å; R607-S624 PolarHBondContact O-N 3.5Å; R607-S624 PolarHBondContact O-OG 3.37Å
625	A	88.8	Confident	79.4	Confident	57 Å²	57	72.1 Å²	72.1	47%	0.471	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	148.2	178.8	0	0	0	0	0	111.7
626	V	88	Confident	79	Confident	13 Å²	13	62.9 Å²	62.9	8%	0.079	36%	0.363	C	S	.	.			trans	-95.3	103.6	173.2	-178.2	0	0	0	0	108.3	K487 Y488 N491 Y602 D605 R607	K487-V626 HydrophobicContact CB-CG1 4.02Å; K487-V626 HydrophobicContact CD-CG1 4Å; K487-V626 HydrophobicContact CG-CG1 3.86Å; Y488-V626 HydrophobicContact CD1-CG1 4.08Å; Y488-V626 HydrophobicContact CE1-CG1 4.35Å; N491-V626 HydrophobicContact CB-CG1 4.34Å; Y602-V626 HydrophobicContact CD1-CG2 3.69Å; Y602-V626 HydrophobicContact CE1-CG2 3.97Å; D605-V626 PolarHBondContact O-N 2.97Å; R607-V626 HydrophobicContact CB-CG2 4.29Å
627	H	86.1	Confident	78.5	Confident	115 Å²	115	63.8 Å²	63.8	53%	0.532	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-77	150.2	-178.1	-60.5	-71.2	0	0	0	112.2	N491	N491-H627 PolarHBondContact ND2-N 3.44Å; N491-H627 PolarHBondContact ND2-O 2.86Å; N491-H627 PolarHBondContact OD1-N 3.16Å
628	P	83.4	Confident	78	Confident	102 Å²	102	62 Å²	62	66%	0.662	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-58.1	142.6	174.5	-25.3	35	0	0	0	113.1	Q630	P628-Q630 PolarHBondContact O-N 3.24Å
629	S	82.4	Confident	77.6	Confident	20 Å²	20	58.7 Å²	58.7	14%	0.14	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-68	125.8	179.4	167.5	0	0	0	0	112.4	A486 E490 L632 S633	A486-S629 WeakPolarHBondContact CB-OG 3.34Å; E490-S629 WeakPolarHBondContact OE2-CB 3.26Å; E490-S629 PolarHBondContact OE2-OG 3.47Å; S629-L632 PolarHBondContact OG-N 3.29Å; S629-S633 PolarHBondContact O-OG 3.25Å; S629-S633 PolarHBondContact OG-N 2.89Å; S629-S633 VanDerWaalsContact OG-N 3.13Å
630	Q	78.3	Confident	77.3	Confident	98 Å²	98	58.8 Å²	58.8	46%	0.458	35%	0.348	S	S	.	.	S	Bend	trans	-95.8	-28	179.4	-50.6	-170.9	21.9	0	0	112	K444 E490 P628	K444-Q630 PolarHBondContact NZ-O 3.33Å; E490-Q630 PolarHBondContact OE1-N 2.92Å; E490-Q630 PolarHBondContact OE2-N 2.86Å; P628-Q630 PolarHBondContact O-N 3.24Å
631	Y	75.3	Confident	77	Confident	24 Å²	24	56.6 Å²	56.6	9%	0.094	33%	0.328	C	S	.	.	S	Bend	trans	-114	-52.1	-171.4	-56.2	-74.9	0	0	0	113.2	R448 M475 E490 F495 S633	R448-Y631 VanDerWaalsContact CD-OH 3.31Å; R448-Y631 WeakPolarHBondContact CD-OH 3.34Å; R448-Y631 VanDerWaalsContact NH1-CZ 3.27Å; R448-Y631 PolarHBondContact NH1-OH 2.93Å; M475-Y631 HydrophobicContact CE-CD1 3.41Å; M475-Y631 VanDerWaalsContact CE-CD1 3.41Å; M475-Y631 HydrophobicContact CE-CE1 3.98Å; M475-Y631 HydrophobicContact CE-CG 3.83Å; E490-Y631 HydrophobicContact CG-CD2 4.48Å; E490-Y631 WeakPolarHBondContact OE1-CD2 3.47Å; E490-Y631 PolarHBondContact OE1-N 3.17Å; E490-Y631 PolarHBondContact OE2-N 2.82Å; F495-Y631 HydrophobicContact CD2-CD2 4.24Å; F495-Y631 AromaticContact CD2-CE2 3.76Å; F495-Y631 HydrophobicContact CD2-CE2 3.76Å; F495-Y631 AromaticContact CE2-CD2 3.76Å; F495-Y631 HydrophobicContact CE2-CD2 3.76Å; F495-Y631 HydrophobicContact CE2-CE1 4.19Å; F495-Y631 AromaticContact CE2-CE2 3.16Å; F495-Y631 HydrophobicContact CE2-CE2 3.16Å; F495-Y631 HydrophobicContact CE2-CG 4.48Å; F495-Y631 AromaticContact CE2-CZ 3.4Å; F495-Y631 HydrophobicContact CZ-CE1 4.37Å; F495-Y631 AromaticContact CZ-CE2 3.82Å; F495-Y631 HydrophobicContact CZ-CE2 3.82Å; F495-Y631 AromaticContact CZ-CZ 3.58Å; F495-Y631 VanDerWaalsContact CZ-OH 3.27Å; F495-Y631 WeakPolarHBondContact CZ-OH 3.26Å; Y631-S633 VanDerWaalsContact C-N 3.28Å; Y631-S633 PolarHBondContact O-N 2.91Å
632	L	78.9	Confident	76.6	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-3.4	-172.5	-66.2	-179	0	0	0	114.6	V478 V480 A486 V489 E490 L498 S629 I634	V478-L632 HydrophobicContact CB-CD2 4.16Å; V478-L632 HydrophobicContact CG1-CD1 4.3Å; V478-L632 HydrophobicContact CG1-CD2 4.06Å; V480-L632 HydrophobicContact CG2-CB 3.94Å; V480-L632 HydrophobicContact CG2-CD1 4.43Å; A486-L632 HydrophobicContact CB-CB 3.92Å; V489-L632 HydrophobicContact CB-CD1 4.03Å; V489-L632 HydrophobicContact CG1-CD1 3.68Å; E490-L632 HydrophobicContact CB-CD1 4.2Å; E490-L632 PolarHBondContact OE2-N 3.46Å; L498-L632 HydrophobicContact CD2-CD1 4.35Å; S629-L632 PolarHBondContact OG-N 3.29Å; L632-I634 PolarHBondContact O-N 2.91Å
633	S	71.9	Confident	76.4	Confident	43 Å²	43	62.6 Å²	62.6	30%	0.301	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-8.2	179.8	44	0	0	0	0	115.5	S629 Y631	S629-S633 PolarHBondContact O-OG 3.25Å; S629-S633 PolarHBondContact OG-N 2.89Å; S629-S633 VanDerWaalsContact OG-N 3.13Å; Y631-S633 VanDerWaalsContact C-N 3.28Å; Y631-S633 PolarHBondContact O-N 2.91Å
634	I	70.6	Confident	76.2	Confident	34 Å²	34	58.3 Å²	58.3	17%	0.174	32%	0.317	C	S	.	.			trans	-93.7	119.1	170.4	-57.9	172.6	0	0	0	108.3	M437 A440 K441 K444 L632	M437-I634 HydrophobicContact CE-CG2 4.43Å; A440-I634 HydrophobicContact CB-CD1 4.18Å; K441-I634 WeakPolarHBondContact CE-O 3.19Å; K441-I634 HydrophobicContact CG-CB 4.1Å; K441-I634 HydrophobicContact CG-CD1 4.31Å; K441-I634 HydrophobicContact CG-CG2 4.09Å; K441-I634 PolarHBondContact NZ-O 2.83Å; K444-I634 HydrophobicContact CD-CD1 4.22Å; L632-I634 PolarHBondContact O-N 2.91Å
635	T	63.4	Low	75.8	Confident	43 Å²	43	59.1 Å²	59.1	26%	0.264	31%	0.314	S	S	.	.			trans	-101.8	147.7	174.9	57.7	0	0	0	0	110.5	M437 N479 V480 P483	M437-T635 VanDerWaalsContact CE-O 3.26Å; M437-T635 WeakPolarHBondContact CE-O 3.24Å; N479-T635 WeakPolarHBondContact OD1-CA 3.16Å; V480-T635 WeakPolarHBondContact O-CG2 3.4Å; P483-T635 HydrophobicContact CG-CG2 4.04Å
636	V	62.8	Low	75.6	Confident	24 Å²	24	62.9 Å²	62.9	15%	0.145	32%	0.322	C	S	.	.			trans	-142	120.3	174.8	-177.8	0	0	0	0	107.4	M437 M438 N479 A638	M437-V636 HydrophobicContact CB-CG2 4.09Å; M438-V636 HydrophobicContact CG-CG1 4.08Å; M438-V636 HydrophobicContact CG-CG2 4.25Å; N479-V636 PolarHBondContact ND2-O 2.85Å; N479-V636 VanDerWaalsContact ND2-O 3.12Å; N479-V636 PolarHBondContact OD1-N 3.25Å; N479-V636 PolarHBondContact OD1-O 2.87Å; V636-A638 PolarHBondContact O-N 3.28Å
637	D	65.9	Low	75.5	Confident	89 Å²	89	67.1 Å²	67.1	48%	0.476	34%	0.341	S	S	.	.			trans	-76	117.6	174.5	-165.1	-47.5	0	0	0	110	E639 E640	D637-E639 WeakPolarHBondContact OD1-CA 3.39Å; D637-E639 PolarHBondContact OD1-N 2.83Å; D637-E640 HydrophobicContact CB-CB 3.89Å; D637-E640 PolarHBondContact OD1-N 2.68Å
638	A	61.3	Low	75.5	Confident	64 Å²	64	63.4 Å²	63.4	53%	0.529	33%	0.325	S	S	.	.	H	α-helix	trans	-79.3	-20.8	-178.8	0	0	0	0	0	113.1	V636 R642	V636-A638 PolarHBondContact O-N 3.28Å; A638-R642 WeakPolarHBondContact O-CD 3.39Å; A638-R642 WeakPolarHBondContact O-CG 3.29Å
639	E	68.9	Low	75.5	Confident	87 Å²	87	64.9 Å²	64.9	41%	0.407	32%	0.321	S	S	.	.	H	α-helix	trans	-89.8	-39.7	-179.6	-163.8	57.2	-148.1	0	0	111	D637 K641 R642 Q643	D637-E639 WeakPolarHBondContact OD1-CA 3.39Å; D637-E639 PolarHBondContact OD1-N 2.83Å; E639-K641 PolarHBondContact O-N 3.28Å; E639-R642 WeakPolarHBondContact O-CB 3.48Å; E639-R642 PolarHBondContact O-N 3.1Å; E639-R642 VanDerWaalsContact O-N 3.1Å; E639-R642 WeakPolarHBondContact OE2-CD 3.39Å; E639-R642 IonicContact OE2-CZ 3.45Å; E639-R642 IonicContact OE2-NE 2.68Å; E639-R642 IonicContact OE2-NH1 3.86Å; E639-R642 PolarHBondContact OE2-NH1 2.67Å; E639-Q643 WeakPolarHBondContact O-CG 3.26Å; E639-Q643 PolarHBondContact O-N 2.95Å
640	E	72.3	Confident	75.8	Confident	77 Å²	77	66.5 Å²	66.5	36%	0.36	34%	0.335	S	S	.	.	H	α-helix	trans	-57.6	-40.4	171.2	-161	-166	-176.4	0	0	111	K430 M434 D637 R642 Q643 V644	K430-E640 WeakPolarHBondContact CE-OE1 3.43Å; K430-E640 IonicContact NZ-OE1 2.83Å; K430-E640 PolarHBondContact NZ-OE1 3.33Å; M434-E640 HydrophobicContact CE-CB 4Å; M434-E640 HydrophobicContact CE-CG 3.71Å; M434-E640 WeakPolarHBondContact CE-OE2 3.11Å; D637-E640 HydrophobicContact CB-CB 3.89Å; D637-E640 PolarHBondContact OD1-N 2.68Å; E640-R642 PolarHBondContact O-N 2.82Å; E640-Q643 PolarHBondContact O-N 2.61Å; E640-V644 WeakPolarHBondContact O-CG2 3.34Å; E640-V644 PolarHBondContact O-N 3.42Å; E640-V644 VanDerWaalsContact O-N 3.16Å
641	K	74	Confident	76.3	Confident	36 Å²	36	62.1 Å²	62.1	16%	0.157	32%	0.315	C	S	.	.	H	α-helix	trans	-59.8	-44.8	174.6	-178.4	175.2	179.2	174.1	0	112.5	M434 N435 M438 E639 Q643 V644 E645	M434-K641 HydrophobicContact SD-CB 4.11Å; M434-K641 HydrophobicContact SD-CG 4.47Å; N435-K641 PolarHBondContact OD1-NZ 2.89Å; M438-K641 HydrophobicContact SD-CD 4.48Å; M438-K641 PolarHBondContact SD-NZ 3.4Å; M438-K641 VanDerWaalsContact SD-NZ 3.38Å; E639-K641 PolarHBondContact O-N 3.28Å; K641-Q643 VanDerWaalsContact C-N 3.33Å; K641-Q643 PolarHBondContact O-N 2.97Å; K641-V644 PolarHBondContact O-N 3.41Å; K641-E645 WeakPolarHBondContact CE-OE1 3.36Å; K641-E645 WeakPolarHBondContact O-CG 3.32Å; K641-E645 PolarHBondContact O-N 3.39Å
642	R	75.4	Confident	76.8	Confident	141 Å²	141	64.9 Å²	64.9	53%	0.532	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-39.7	178.5	-75.2	164.2	169.9	175	-1.5	112.1	A638 E639 E640 E645 Q646	A638-R642 WeakPolarHBondContact O-CD 3.39Å; A638-R642 WeakPolarHBondContact O-CG 3.29Å; E639-R642 WeakPolarHBondContact O-CB 3.48Å; E639-R642 PolarHBondContact O-N 3.1Å; E639-R642 VanDerWaalsContact O-N 3.1Å; E639-R642 WeakPolarHBondContact OE2-CD 3.39Å; E639-R642 IonicContact OE2-CZ 3.45Å; E639-R642 IonicContact OE2-NE 2.68Å; E639-R642 IonicContact OE2-NH1 3.86Å; E639-R642 PolarHBondContact OE2-NH1 2.67Å; E640-R642 PolarHBondContact O-N 2.82Å; R642-E645 PolarHBondContact O-N 2.91Å; R642-Q646 WeakPolarHBondContact O-CG 3.37Å; R642-Q646 PolarHBondContact O-N 3.27Å
643	Q	81.4	Confident	77.2	Confident	101 Å²	101	67.1 Å²	67.1	47%	0.472	35%	0.345	S	S	.	.	H	α-helix	trans	-64.3	-43.2	177.9	-67.2	174.8	16.9	0	0	111.4	E639 E640 K641 Q646 Q647	E639-Q643 WeakPolarHBondContact O-CG 3.26Å; E639-Q643 PolarHBondContact O-N 2.95Å; E640-Q643 PolarHBondContact O-N 2.61Å; K641-Q643 VanDerWaalsContact C-N 3.33Å; K641-Q643 PolarHBondContact O-N 2.97Å; Q643-Q646 PolarHBondContact O-N 3.21Å; Q643-Q647 WeakPolarHBondContact O-CG 3.45Å; Q643-Q647 PolarHBondContact O-N 3.11Å
644	V	82.1	Confident	78	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.018	36%	0.355	C	S	.	.	H	α-helix	trans	-63.5	-41.3	174.6	176.8	0	0	0	0	111.5	L427 K430 L431 E640 K641 Q646 Q647 M648	L427-V644 HydrophobicContact CB-CG1 4.3Å; L427-V644 HydrophobicContact CD2-CG1 4.23Å; K430-V644 HydrophobicContact CD-CG2 3.87Å; K430-V644 HydrophobicContact CG-CG2 4.4Å; L431-V644 HydrophobicContact CB-CG1 3.98Å; L431-V644 HydrophobicContact CD1-CG1 4.43Å; E640-V644 WeakPolarHBondContact O-CG2 3.34Å; E640-V644 PolarHBondContact O-N 3.42Å; E640-V644 VanDerWaalsContact O-N 3.16Å; K641-V644 PolarHBondContact O-N 3.41Å; V644-Q646 VanDerWaalsContact C-N 3.33Å; V644-Q646 PolarHBondContact O-N 2.76Å; V644-Q647 PolarHBondContact O-N 2.99Å; V644-M648 WeakPolarHBondContact O-CB 3.13Å; V644-M648 PolarHBondContact O-N 3.13Å
645	E	79.7	Confident	78.9	Confident	70 Å²	70	72.3 Å²	72.3	33%	0.327	36%	0.359	S	S	.	.	H	α-helix	trans	-62.5	-35.1	175.4	-77	176.9	-170.6	0	0	113.2	L431 K641 R642 K649	L431-E645 HydrophobicContact CD1-CG 3.49Å; L431-E645 VanDerWaalsContact CD1-CG 3.49Å; K641-E645 WeakPolarHBondContact CE-OE1 3.36Å; K641-E645 WeakPolarHBondContact O-CG 3.32Å; K641-E645 PolarHBondContact O-N 3.39Å; R642-E645 PolarHBondContact O-N 2.91Å; E645-K649 WeakPolarHBondContact O-CG 3.23Å; E645-K649 PolarHBondContact O-N 3.45Å
646	Q	85.5	Confident	80	Confident	136 Å²	136	77.3 Å²	77.3	64%	0.636	37%	0.373	S	S	*	.	H	α-helix	trans	-72.4	-45.1	175.1	-72.3	177.2	7.8	0	0	112.1	R642 Q643 V644 M648 K649 A650	R642-Q646 WeakPolarHBondContact O-CG 3.37Å; R642-Q646 PolarHBondContact O-N 3.27Å; Q643-Q646 PolarHBondContact O-N 3.21Å; V644-Q646 VanDerWaalsContact C-N 3.33Å; V644-Q646 PolarHBondContact O-N 2.76Å; Q646-M648 VanDerWaalsContact C-N 3.3Å; Q646-M648 PolarHBondContact O-N 2.99Å; Q646-K649 PolarHBondContact O-N 2.87Å; Q646-A650 PolarHBondContact O-N 2.65Å; Q646-A650 VanDerWaalsContact O-N 3.12Å
647	Q	85.6	Confident	81.3	Confident	102 Å²	102	81.1 Å²	81.1	48%	0.477	39%	0.389	S	S	.	.	H	α-helix	trans	-60.5	-39.8	177.4	-72.2	172.1	-13.9	0	0	111.9	L427 Q643 V644 K649 A650 C651	L427-Q647 HydrophobicContact CD1-CB 3.75Å; L427-Q647 HydrophobicContact CD2-CB 4.2Å; Q643-Q647 WeakPolarHBondContact O-CG 3.45Å; Q643-Q647 PolarHBondContact O-N 3.11Å; V644-Q647 PolarHBondContact O-N 2.99Å; Q647-K649 PolarHBondContact O-N 3.45Å; Q647-A650 PolarHBondContact O-N 2.98Å; Q647-C651 PolarHBondContact O-N 2.99Å; Q647-C651 VanDerWaalsContact O-N 3.11Å; Q647-C651 PolarHBondContact O-SG 3.13Å
648	M	85.8	Confident	82.5	Confident	37 Å²	37	77.8 Å²	77.8	18%	0.182	37%	0.371	C	S	.	.	H	α-helix	trans	-61	-45.8	176.8	-165.6	-177.9	81.5	0	0	111.8	V428 L431 V644 Q646 A650 C651 E652	V428-M648 HydrophobicContact CG2-CG 4.28Å; V428-M648 HydrophobicContact CG2-SD 3.67Å; L431-M648 HydrophobicContact CD1-SD 4.4Å; V644-M648 WeakPolarHBondContact O-CB 3.13Å; V644-M648 PolarHBondContact O-N 3.13Å; Q646-M648 VanDerWaalsContact C-N 3.3Å; Q646-M648 PolarHBondContact O-N 2.99Å; M648-A650 VanDerWaalsContact C-N 3.31Å; M648-A650 PolarHBondContact O-N 3.47Å; M648-C651 WeakPolarHBondContact O-CB 3.47Å; M648-C651 PolarHBondContact O-N 3.07Å; M648-E652 WeakPolarHBondContact O-CG 3.46Å; M648-E652 PolarHBondContact O-N 3.42Å
649	K	85	Confident	83.7	Confident	133 Å²	133	78.8 Å²	78.8	58%	0.578	37%	0.368	S	S	*	.	H	α-helix	trans	-63.3	-33.8	176.4	-71.7	174.5	-177.4	175.3	0	113.2	E645 Q646 Q647 E652 S653	E645-K649 WeakPolarHBondContact O-CG 3.23Å; E645-K649 PolarHBondContact O-N 3.45Å; Q646-K649 PolarHBondContact O-N 2.87Å; Q647-K649 PolarHBondContact O-N 3.45Å; K649-E652 PolarHBondContact O-N 3.15Å; K649-S653 PolarHBondContact O-N 2.67Å; K649-S653 VanDerWaalsContact O-N 3.13Å
650	A	88.4	Confident	84.7	Confident	53 Å²	53	81.1 Å²	81.1	44%	0.438	38%	0.378	S	S	.	.	H	α-helix	trans	-66.4	-42	174.8	0	0	0	0	0	111.8	Q646 Q647 M648 E652 S653 R654	Q646-A650 PolarHBondContact O-N 2.65Å; Q646-A650 VanDerWaalsContact O-N 3.12Å; Q647-A650 PolarHBondContact O-N 2.98Å; M648-A650 VanDerWaalsContact C-N 3.31Å; M648-A650 PolarHBondContact O-N 3.47Å; A650-E652 VanDerWaalsContact C-N 3.35Å; A650-S653 PolarHBondContact O-N 3.38Å; A650-R654 PolarHBondContact O-N 2.76Å
651	C	87.8	Confident	85.6	Confident	7 Å²	7	84.3 Å²	84.3	5%	0.047	39%	0.387	C	S	.	.	H	α-helix	trans	-61.8	-42.4	173.3	-60.3	0	0	0	0	111.6	I420 Q647 M648 S653 R654 L655	I420-C651 HydrophobicContact CG2-CB 3.93Å; Q647-C651 PolarHBondContact O-N 2.99Å; Q647-C651 VanDerWaalsContact O-N 3.11Å; Q647-C651 PolarHBondContact O-SG 3.13Å; M648-C651 WeakPolarHBondContact O-CB 3.47Å; M648-C651 PolarHBondContact O-N 3.07Å; C651-S653 VanDerWaalsContact C-N 3.26Å; C651-S653 PolarHBondContact O-N 2.89Å; C651-R654 PolarHBondContact O-N 2.81Å; C651-L655 WeakPolarHBondContact O-CG 3.37Å; C651-L655 PolarHBondContact O-N 2.86Å
652	E	85.1	Confident	86.2	Confident	81 Å²	81	83.9 Å²	83.9	38%	0.379	39%	0.386	S	S	.	.	H	α-helix	trans	-63.9	-24.4	176.2	-71.9	172.1	177.9	0	0	113.8	M648 K649 A650 R656	M648-E652 WeakPolarHBondContact O-CG 3.46Å; M648-E652 PolarHBondContact O-N 3.42Å; K649-E652 PolarHBondContact O-N 3.15Å; A650-E652 VanDerWaalsContact C-N 3.35Å; E652-R656 PolarHBondContact O-NE 3.48Å; E652-R656 PolarHBondContact O-NH2 3.14Å
653	S	88.7	Confident	86.8	Confident	49 Å²	49	82.3 Å²	82.3	34%	0.343	38%	0.383	S	S	.	.	H	α-helix	trans	-73.4	-56	172	-162.8	0	0	0	0	110.7	K649 A650 C651 L655 R656 E657	K649-S653 PolarHBondContact O-N 2.67Å; K649-S653 VanDerWaalsContact O-N 3.13Å; A650-S653 PolarHBondContact O-N 3.38Å; C651-S653 VanDerWaalsContact C-N 3.26Å; C651-S653 PolarHBondContact O-N 2.89Å; S653-L655 VanDerWaalsContact C-N 3.27Å; S653-L655 PolarHBondContact O-N 3.5Å; S653-R656 WeakPolarHBondContact O-CA 3.48Å; S653-R656 WeakPolarHBondContact O-CB 3.38Å; S653-R656 PolarHBondContact O-N 2.9Å; S653-E657 WeakPolarHBondContact CB-OE1 3.37Å; S653-E657 PolarHBondContact O-N 2.75Å; S653-E657 VanDerWaalsContact O-N 3.07Å; S653-E657 PolarHBondContact OG-OE1 2.94Å
654	R	88.9	Confident	87.2	Confident	139 Å²	139	79.5 Å²	79.5	53%	0.525	38%	0.377	S	S	.	.	H	α-helix	trans	-58	-38.6	-177.7	-67	180	176.9	169.7	-2.5	112.9	I420 A650 C651 R656 E657 I658	I420-R654 HydrophobicContact CD1-CB 3.86Å; A650-R654 PolarHBondContact O-N 2.76Å; C651-R654 PolarHBondContact O-N 2.81Å; R654-R656 VanDerWaalsContact C-N 3.31Å; R654-R656 PolarHBondContact O-N 3.4Å; R654-E657 PolarHBondContact O-N 3.07Å; R654-I658 WeakPolarHBondContact O-CG1 3.37Å; R654-I658 PolarHBondContact O-N 3.47Å
655	L	88.4	Confident	87.5	Confident	46 Å²	46	79.9 Å²	79.9	24%	0.241	38%	0.379	C	S	.	.	H	α-helix	trans	-61.5	-37.7	175.2	-74.4	170.2	0	0	0	112.3	G417 I420 C651 S653 D659	G417-L655 WeakPolarHBondContact O-CD2 3.41Å; I420-L655 HydrophobicContact CB-CD2 4.07Å; I420-L655 HydrophobicContact CB-CG 4.34Å; I420-L655 HydrophobicContact CG2-CD1 4.26Å; I420-L655 HydrophobicContact CG2-CD2 4.1Å; I420-L655 HydrophobicContact CG2-CG 3.79Å; C651-L655 WeakPolarHBondContact O-CG 3.37Å; C651-L655 PolarHBondContact O-N 2.86Å; S653-L655 VanDerWaalsContact C-N 3.27Å; S653-L655 PolarHBondContact O-N 3.5Å; L655-D659 WeakPolarHBondContact O-CB 3.19Å; L655-D659 PolarHBondContact O-N 3.27Å
656	R	88	Confident	87.9	Confident	148 Å²	148	81.8 Å²	81.8	56%	0.558	39%	0.388	S	S	*	.	H	α-helix	trans	-69.2	-41.1	175.3	-79.2	175.4	-78.3	171.5	-4.3	112.2	E652 S653 R654 I658 D659 E660	E652-R656 PolarHBondContact O-NE 3.48Å; E652-R656 PolarHBondContact O-NH2 3.14Å; S653-R656 WeakPolarHBondContact O-CA 3.48Å; S653-R656 WeakPolarHBondContact O-CB 3.38Å; S653-R656 PolarHBondContact O-N 2.9Å; R654-R656 VanDerWaalsContact C-N 3.31Å; R654-R656 PolarHBondContact O-N 3.4Å; R656-I658 PolarHBondContact O-N 3.27Å; R656-D659 WeakPolarHBondContact O-CB 3.39Å; R656-D659 PolarHBondContact O-N 2.91Å; R656-E660 WeakPolarHBondContact O-CG 3.43Å; R656-E660 PolarHBondContact O-N 2.84Å
657	E	89.7	Confident	87.9	Confident	105 Å²	105	82.8 Å²	82.8	49%	0.491	39%	0.39	S	S	.	.	H	α-helix	trans	-60.3	-43.8	176.5	-66.2	153.5	-135.2	0	0	111.4	S653 R654 E660 R661	S653-E657 WeakPolarHBondContact CB-OE1 3.37Å; S653-E657 PolarHBondContact O-N 2.75Å; S653-E657 VanDerWaalsContact O-N 3.07Å; S653-E657 PolarHBondContact OG-OE1 2.94Å; R654-E657 PolarHBondContact O-N 3.07Å; E657-E660 PolarHBondContact O-N 3.35Å; E657-R661 PolarHBondContact O-N 2.83Å; E657-R661 VanDerWaalsContact O-N 3.09Å
658	I	90.4	Very high	88	Confident	18 Å²	18	82.7 Å²	82.7	9%	0.092	39%	0.39	C	S	.	.	H	α-helix	trans	-64.5	-43.7	173.8	-68.2	168.2	0	0	0	111	L413 E416 I420 R654 R656 E660 R661 M662	L413-I658 HydrophobicContact CB-CG2 4.42Å; E416-I658 HydrophobicContact CB-CD1 4.12Å; E416-I658 HydrophobicContact CG-CD1 3.78Å; I420-I658 HydrophobicContact CD1-CD1 3.88Å; R654-I658 WeakPolarHBondContact O-CG1 3.37Å; R654-I658 PolarHBondContact O-N 3.47Å; R656-I658 PolarHBondContact O-N 3.27Å; I658-E660 VanDerWaalsContact C-N 3.34Å; I658-E660 PolarHBondContact O-N 3.45Å; I658-R661 PolarHBondContact O-N 3.39Å; I658-M662 HydrophobicContact CG2-CG 4.3Å; I658-M662 WeakPolarHBondContact O-CB 3.18Å; I658-M662 VanDerWaalsContact O-CG 3.3Å; I658-M662 WeakPolarHBondContact O-CG 3.47Å; I658-M662 PolarHBondContact O-N 2.86Å
659	D	86.9	Confident	87.9	Confident	86 Å²	86	81.6 Å²	81.6	46%	0.46	39%	0.387	S	S	.	.	H	α-helix	trans	-60.9	-40.3	178.6	-125.5	30	0	0	0	112.6	L655 R656 K663	L655-D659 WeakPolarHBondContact O-CB 3.19Å; L655-D659 PolarHBondContact O-N 3.27Å; R656-D659 WeakPolarHBondContact O-CB 3.39Å; R656-D659 PolarHBondContact O-N 2.91Å; D659-K663 WeakPolarHBondContact O-CB 3.28Å; D659-K663 WeakPolarHBondContact O-CD 3.49Å; D659-K663 WeakPolarHBondContact O-CE 3.38Å; D659-K663 WeakPolarHBondContact O-CG 3.4Å; D659-K663 PolarHBondContact O-N 2.82Å; D659-K663 IonicContact OD2-NZ 2.76Å; D659-K663 PolarHBondContact OD2-NZ 3.15Å
660	E	89.4	Confident	87.9	Confident	135 Å²	135	77.1 Å²	77.1	63%	0.631	37%	0.374	S	S	*	.	H	α-helix	trans	-69	-42.6	176.3	-74.3	-177.5	-179.1	0	0	111.9	R656 E657 I658 K663 A664	R656-E660 WeakPolarHBondContact O-CG 3.43Å; R656-E660 PolarHBondContact O-N 2.84Å; E657-E660 PolarHBondContact O-N 3.35Å; I658-E660 VanDerWaalsContact C-N 3.34Å; I658-E660 PolarHBondContact O-N 3.45Å; E660-K663 WeakPolarHBondContact O-CB 3.37Å; E660-K663 PolarHBondContact O-N 2.84Å; E660-A664 PolarHBondContact O-N 3.34Å
661	R	90.6	Very high	87.7	Confident	144 Å²	144	77 Å²	77	54%	0.543	37%	0.374	S	S	.	.	H	α-helix	trans	-66	-38.4	175.7	-165.9	171.6	177.1	172.4	-1.7	112.4	L413 E657 I658 K663 A664 L665	L413-R661 HydrophobicContact CD1-CB 4.26Å; L413-R661 HydrophobicContact CD1-CG 3.76Å; E657-R661 PolarHBondContact O-N 2.83Å; E657-R661 VanDerWaalsContact O-N 3.09Å; I658-R661 PolarHBondContact O-N 3.39Å; R661-K663 VanDerWaalsContact C-N 3.34Å; R661-A664 WeakPolarHBondContact O-CB 3.37Å; R661-A664 PolarHBondContact O-N 3.47Å; R661-L665 PolarHBondContact O-N 2.98Å
662	M	87.4	Confident	87.7	Confident	27 Å²	27	78.1 Å²	78.1	13%	0.133	38%	0.379	C	S	.	.	H	α-helix	trans	-63.3	-38.1	172	-77.3	-70.2	-78.6	0	0	112.2	R410 L413 I658 Q666	R410-M662 HydrophobicContact CB-CE 4.27Å; R410-M662 HydrophobicContact CB-SD 4Å; R410-M662 HydrophobicContact CG-SD 4.11Å; L413-M662 HydrophobicContact CB-CG 4.14Å; L413-M662 HydrophobicContact CB-SD 3.78Å; L413-M662 HydrophobicContact CD1-CG 4.49Å; L413-M662 HydrophobicContact CD1-SD 4.28Å; I658-M662 HydrophobicContact CG2-CG 4.3Å; I658-M662 WeakPolarHBondContact O-CB 3.18Å; I658-M662 VanDerWaalsContact O-CG 3.3Å; I658-M662 WeakPolarHBondContact O-CG 3.47Å; I658-M662 PolarHBondContact O-N 2.86Å; M662-Q666 WeakPolarHBondContact O-CB 3.33Å; M662-Q666 PolarHBondContact O-N 2.8Å
663	K	87.7	Confident	87.5	Confident	108 Å²	108	76.7 Å²	76.7	47%	0.47	37%	0.373	S	S	.	.	H	α-helix	trans	-67.9	-31.7	173.9	-71.4	156.5	-160.4	155.1	0	112.5	D659 E660 R661 K667	D659-K663 WeakPolarHBondContact O-CB 3.28Å; D659-K663 WeakPolarHBondContact O-CD 3.49Å; D659-K663 WeakPolarHBondContact O-CE 3.38Å; D659-K663 WeakPolarHBondContact O-CG 3.4Å; D659-K663 PolarHBondContact O-N 2.82Å; D659-K663 IonicContact OD2-NZ 2.76Å; D659-K663 PolarHBondContact OD2-NZ 3.15Å; E660-K663 WeakPolarHBondContact O-CB 3.37Å; E660-K663 PolarHBondContact O-N 2.84Å; R661-K663 VanDerWaalsContact C-N 3.34Å; K663-K667 WeakPolarHBondContact O-CG 3.46Å; K663-K667 PolarHBondContact O-N 3.04Å
664	A	89.4	Confident	87.2	Confident	42 Å²	42	82.4 Å²	82.4	35%	0.347	39%	0.388	S	S	.	.	H	α-helix	trans	-67.5	-57.3	173.7	0	0	0	0	0	111.4	E660 R661 Q666 K667 E668	E660-A664 PolarHBondContact O-N 3.34Å; R661-A664 WeakPolarHBondContact O-CB 3.37Å; R661-A664 PolarHBondContact O-N 3.47Å; A664-Q666 PolarHBondContact O-N 3.1Å; A664-Q666 VanDerWaalsContact O-N 3.16Å; A664-K667 WeakPolarHBondContact O-CA 3.38Å; A664-K667 WeakPolarHBondContact O-CB 3.48Å; A664-K667 PolarHBondContact O-N 3.14Å; A664-E668 PolarHBondContact O-N 2.99Å; A664-E668 VanDerWaalsContact O-N 3.14Å
665	L	89.8	Confident	87	Confident	11 Å²	11	80 Å²	80	6%	0.058	38%	0.383	C	S	.	.	H	α-helix	trans	-57.7	-32.7	177.7	-69.3	171.8	0	0	0	112.7	I406 E409 R410 L413 R661 E668 A669	I406-L665 HydrophobicContact CG2-CB 4.19Å; I406-L665 HydrophobicContact CG2-CD2 4.3Å; E409-L665 HydrophobicContact CB-CD1 3.84Å; R410-L665 HydrophobicContact CG-CB 3.74Å; R410-L665 HydrophobicContact CG-CD1 3.9Å; R410-L665 HydrophobicContact CG-CG 4.46Å; L413-L665 HydrophobicContact CD1-CD1 3.62Å; R661-L665 PolarHBondContact O-N 2.98Å; L665-E668 PolarHBondContact O-N 2.85Å; L665-A669 WeakPolarHBondContact O-CB 3.22Å; L665-A669 PolarHBondContact O-N 2.92Å
666	Q	87.3	Confident	86.7	Confident	110 Å²	110	79 Å²	79	51%	0.514	38%	0.376	S	S	.	.	H	α-helix	trans	-72.6	-26.1	175	-175.4	162.1	-24.4	0	0	113.7	R410 M662 A664 A670	R410-Q666 VanDerWaalsContact NH2-OE1 3.14Å; M662-Q666 WeakPolarHBondContact O-CB 3.33Å; M662-Q666 PolarHBondContact O-N 2.8Å; A664-Q666 PolarHBondContact O-N 3.1Å; A664-Q666 VanDerWaalsContact O-N 3.16Å; Q666-A670 WeakPolarHBondContact O-CB 3.18Å; Q666-A670 PolarHBondContact O-N 2.78Å; Q666-A670 VanDerWaalsContact O-N 3.12Å
667	K	85.4	Confident	86.4	Confident	158 Å²	158	76.8 Å²	76.8	69%	0.687	38%	0.376	S	S	*	.	H	α-helix	trans	-72.1	-39.9	169.5	-73	170	-179.2	177.4	0	111.4	K663 A664 A670 A671	K663-K667 WeakPolarHBondContact O-CG 3.46Å; K663-K667 PolarHBondContact O-N 3.04Å; A664-K667 WeakPolarHBondContact O-CA 3.38Å; A664-K667 WeakPolarHBondContact O-CB 3.48Å; A664-K667 PolarHBondContact O-N 3.14Å; K667-A670 CarbonylContact O-C 3.52Å; K667-A670 PolarHBondContact O-N 2.69Å; K667-A671 PolarHBondContact O-N 3.12Å
668	E	87.4	Confident	86	Confident	100 Å²	100	78 Å²	78	47%	0.467	38%	0.382	S	S	.	.	H	α-helix	trans	-66.4	-47.4	178.3	-69.4	166.1	-149.2	0	0	111.2	I406 A664 L665 A670 A671 L672	I406-E668 HydrophobicContact CD1-CB 3.99Å; A664-E668 PolarHBondContact O-N 2.99Å; A664-E668 VanDerWaalsContact O-N 3.14Å; L665-E668 PolarHBondContact O-N 2.85Å; E668-A670 VanDerWaalsContact C-N 3.3Å; E668-A670 PolarHBondContact O-N 2.8Å; E668-A671 WeakPolarHBondContact O-CB 3.4Å; E668-A671 PolarHBondContact O-N 3.05Å; E668-L672 PolarHBondContact O-N 3.1Å
669	A	84.7	Confident	85.7	Confident	14 Å²	14	79 Å²	79	12%	0.116	39%	0.386	C	S	.	.	H	α-helix	trans	-55.5	-44.5	170.6	0	0	0	0	0	111.9	I406 L665 A671 L672 D673	I406-A669 HydrophobicContact CG2-CB 4.06Å; L665-A669 WeakPolarHBondContact O-CB 3.22Å; L665-A669 PolarHBondContact O-N 2.92Å; A669-A671 PolarHBondContact O-N 3.07Å; A669-L672 PolarHBondContact O-N 3.32Å; A669-D673 WeakPolarHBondContact O-CB 3.3Å; A669-D673 PolarHBondContact O-N 3.06Å
670	A	84.1	Confident	85.3	Confident	38 Å²	38	78.3 Å²	78.3	31%	0.314	38%	0.382	S	S	.	.	H	α-helix	trans	-71.8	-11.4	178	0	0	0	0	0	114.7	Q666 K667 E668 R674	Q666-A670 WeakPolarHBondContact O-CB 3.18Å; Q666-A670 PolarHBondContact O-N 2.78Å; Q666-A670 VanDerWaalsContact O-N 3.12Å; K667-A670 CarbonylContact O-C 3.52Å; K667-A670 PolarHBondContact O-N 2.69Å; E668-A670 VanDerWaalsContact C-N 3.3Å; E668-A670 PolarHBondContact O-N 2.8Å; A670-R674 WeakPolarHBondContact O-CD 3.26Å; A670-R674 WeakPolarHBondContact O-CG 3.39Å; A670-R674 PolarHBondContact O-NE 2.75Å
671	A	85.6	Confident	84.7	Confident	52 Å²	52	75.2 Å²	75.2	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-85.1	-47.5	169	0	0	0	0	0	110.4	K667 E668 A669 D673 R674 E675	K667-A671 PolarHBondContact O-N 3.12Å; E668-A671 WeakPolarHBondContact O-CB 3.4Å; E668-A671 PolarHBondContact O-N 3.05Å; A669-A671 PolarHBondContact O-N 3.07Å; A671-D673 VanDerWaalsContact C-N 3.31Å; A671-D673 PolarHBondContact O-N 3.47Å; A671-R674 WeakPolarHBondContact O-CB 3.21Å; A671-R674 PolarHBondContact O-N 3.09Å; A671-E675 PolarHBondContact O-N 2.9Å
672	L	87	Confident	84.1	Confident	29 Å²	29	71.4 Å²	71.4	15%	0.152	36%	0.364	C	S	.	.	H	α-helix	trans	-60.3	-38.4	173.8	-67.5	178.7	0	0	0	112.4	I399 E402 I406 E668 A669 R674 E675 E676	I399-L672 HydrophobicContact CG2-CB 4Å; I399-L672 HydrophobicContact CG2-CD2 4.2Å; E402-L672 HydrophobicContact CB-CD1 3.84Å; I406-L672 HydrophobicContact CD1-CD1 3.72Å; E668-L672 PolarHBondContact O-N 3.1Å; A669-L672 PolarHBondContact O-N 3.32Å; L672-R674 VanDerWaalsContact C-N 3.26Å; L672-R674 PolarHBondContact O-N 2.86Å; L672-E675 PolarHBondContact O-N 3.33Å; L672-E676 WeakPolarHBondContact O-CB 3.04Å; L672-E676 PolarHBondContact O-N 3.16Å
673	D	80.5	Confident	83.6	Confident	51 Å²	51	73.3 Å²	73.3	27%	0.273	37%	0.372	S	S	.	.	H	α-helix	trans	-60.2	-33.6	172.4	-90.7	-47.1	0	0	0	112.1	R403 A669 A671 N677	R403-D673 IonicContact CZ-OD1 2.75Å; R403-D673 IonicContact NH1-OD1 2.67Å; R403-D673 PolarHBondContact NH1-OD1 3.48Å; R403-D673 IonicContact NH2-OD1 3.31Å; R403-D673 PolarHBondContact NH2-OD1 2.95Å; R403-D673 IonicContact NH2-OD2 3.8Å; R403-D673 PolarHBondContact NH2-OD2 3.01Å; A669-D673 WeakPolarHBondContact O-CB 3.3Å; A669-D673 PolarHBondContact O-N 3.06Å; A671-D673 VanDerWaalsContact C-N 3.31Å; A671-D673 PolarHBondContact O-N 3.47Å; D673-N677 VanDerWaalsContact O-CB 3.31Å; D673-N677 WeakPolarHBondContact O-CB 3.2Å; D673-N677 PolarHBondContact O-N 3Å; D673-N677 VanDerWaalsContact O-N 3.08Å; D673-N677 PolarHBondContact O-ND2 3.01Å
674	R	82.6	Confident	82.9	Confident	169 Å²	169	74.5 Å²	74.5	64%	0.638	38%	0.377	S	S	*	.	H	α-helix	trans	-72.7	-47	175.7	-67.6	168.1	-163.7	-170.1	1.3	110.8	A670 A671 L672 E676 N677 E678	A670-R674 WeakPolarHBondContact O-CD 3.26Å; A670-R674 WeakPolarHBondContact O-CG 3.39Å; A670-R674 PolarHBondContact O-NE 2.75Å; A671-R674 WeakPolarHBondContact O-CB 3.21Å; A671-R674 PolarHBondContact O-N 3.09Å; L672-R674 VanDerWaalsContact C-N 3.26Å; L672-R674 PolarHBondContact O-N 2.86Å; R674-E676 PolarHBondContact O-N 3.06Å; R674-N677 CarbonylContact O-C 3.55Å; R674-N677 PolarHBondContact O-N 3.32Å; R674-N677 VanDerWaalsContact O-N 3.12Å; R674-E678 WeakPolarHBondContact O-CB 3.49Å; R674-E678 WeakPolarHBondContact O-CG 3.47Å; R674-E678 PolarHBondContact O-N 3.18Å
675	E	83.9	Confident	82.2	Confident	90 Å²	90	78.5 Å²	78.5	42%	0.421	38%	0.383	S	S	.	.	H	α-helix	trans	-62	-42	179.5	-161	179.3	-178.3	0	0	111.4	I399 A671 L672 E678 L679	I399-E675 HydrophobicContact CD1-CB 3.96Å; I399-E675 HydrophobicContact CD1-CG 3.72Å; A671-E675 PolarHBondContact O-N 2.9Å; L672-E675 PolarHBondContact O-N 3.33Å; E675-E678 PolarHBondContact O-N 2.78Å; E675-L679 HydrophobicContact CG-CD1 4.44Å; E675-L679 WeakPolarHBondContact O-CB 3.2Å; E675-L679 WeakPolarHBondContact O-CG 3.2Å; E675-L679 PolarHBondContact O-N 2.75Å
676	E	83	Confident	81.3	Confident	24 Å²	24	78.2 Å²	78.2	11%	0.112	38%	0.382	C	S	.	.	H	α-helix	trans	-61.4	-45.2	171.3	-178.3	162.4	-142	0	0	111.3	L396 I399 Q400 R403 L672 R674 L680	L396-E676 HydrophobicContact CD2-CG 3.95Å; I399-E676 HydrophobicContact CG2-CB 4.07Å; Q400-E676 PolarHBondContact NE2-OE1 3.28Å; R403-E676 IonicContact CZ-OE2 3.43Å; R403-E676 IonicContact NH1-OE2 3.92Å; R403-E676 PolarHBondContact NH1-OE2 3.36Å; L672-E676 WeakPolarHBondContact O-CB 3.04Å; L672-E676 PolarHBondContact O-N 3.16Å; R674-E676 PolarHBondContact O-N 3.06Å; E676-L680 HydrophobicContact CG-CD1 3.86Å; E676-L680 HydrophobicContact CG-CG 4.34Å; E676-L680 VanDerWaalsContact O-CB 3.24Å; E676-L680 WeakPolarHBondContact O-CB 3.42Å; E676-L680 WeakPolarHBondContact O-CG 3.33Å; E676-L680 PolarHBondContact O-N 2.69Å
677	N	81.1	Confident	80.3	Confident	101 Å²	101	76.4 Å²	76.4	54%	0.54	38%	0.381	S	S	.	.	H	α-helix	trans	-67.4	-37.2	177.9	-85.4	-71.1	0	0	0	113.4	D673 R674 L680 S681	D673-N677 VanDerWaalsContact O-CB 3.31Å; D673-N677 WeakPolarHBondContact O-CB 3.2Å; D673-N677 PolarHBondContact O-N 3Å; D673-N677 VanDerWaalsContact O-N 3.08Å; D673-N677 PolarHBondContact O-ND2 3.01Å; R674-N677 CarbonylContact O-C 3.55Å; R674-N677 PolarHBondContact O-N 3.32Å; R674-N677 VanDerWaalsContact O-N 3.12Å; N677-L680 PolarHBondContact O-N 2.76Å; N677-S681 VanDerWaalsContact O-CB 3.25Å; N677-S681 WeakPolarHBondContact O-CB 3.3Å; N677-S681 PolarHBondContact O-N 3.41Å
678	E	82.9	Confident	79.4	Confident	132 Å²	132	72.4 Å²	72.4	62%	0.617	37%	0.365	S	S	*	.	H	α-helix	trans	-65.8	-49	176.8	-76.5	174.6	-157.3	0	0	110.5	R674 E675 L680 S681 E682	R674-E678 WeakPolarHBondContact O-CB 3.49Å; R674-E678 WeakPolarHBondContact O-CG 3.47Å; R674-E678 PolarHBondContact O-N 3.18Å; E675-E678 PolarHBondContact O-N 2.78Å; E678-L680 PolarHBondContact O-N 3.09Å; E678-S681 WeakPolarHBondContact O-CB 3.4Å; E678-S681 PolarHBondContact O-N 2.9Å; E678-S681 VanDerWaalsContact O-N 3.11Å; E678-S681 PolarHBondContact O-OG 3.31Å; E678-E682 PolarHBondContact O-N 3.33Å
679	L	83.2	Confident	78.4	Confident	37 Å²	37	70.4 Å²	70.4	19%	0.194	36%	0.357	C	S	.	.	H	α-helix	trans	-62.1	-40.5	174.2	-71.2	170.1	0	0	0	112.5	V392 E395 L396 I399 E675 S681 E682 K683	V392-L679 HydrophobicContact CG1-CB 3.98Å; V392-L679 HydrophobicContact CG1-CD2 4.07Å; V392-L679 VanDerWaalsContact CG1-O 3.28Å; V392-L679 WeakPolarHBondContact CG1-O 3.44Å; E395-L679 HydrophobicContact CB-CD1 3.83Å; L396-L679 HydrophobicContact CD2-CB 3.71Å; L396-L679 HydrophobicContact CD2-CD1 4.33Å; L396-L679 HydrophobicContact CG-CB 4.02Å; L396-L679 HydrophobicContact CG-CD1 4.46Å; I399-L679 HydrophobicContact CD1-CD1 3.57Å; E675-L679 HydrophobicContact CG-CD1 4.44Å; E675-L679 WeakPolarHBondContact O-CB 3.2Å; E675-L679 WeakPolarHBondContact O-CG 3.2Å; E675-L679 PolarHBondContact O-N 2.75Å; L679-S681 VanDerWaalsContact C-N 3.33Å; L679-E682 PolarHBondContact O-N 2.8Å; L679-K683 VanDerWaalsContact O-CB 3.25Å; L679-K683 WeakPolarHBondContact O-CB 3.49Å; L679-K683 PolarHBondContact O-N 2.77Å
680	L	78.3	Confident	77.5	Confident	72 Å²	72	74.6 Å²	74.6	38%	0.377	37%	0.372	S	S	.	.	H	α-helix	trans	-64.5	-37.2	172.7	-75	173.1	0	0	0	111.9	L396 E676 N677 E678 K684	L396-L680 HydrophobicContact CD1-CD2 3.93Å; L396-L680 HydrophobicContact CD1-CG 4.46Å; L396-L680 HydrophobicContact CD2-CD2 4.24Å; L396-L680 HydrophobicContact CD2-CG 3.97Å; E676-L680 HydrophobicContact CG-CD1 3.86Å; E676-L680 HydrophobicContact CG-CG 4.34Å; E676-L680 VanDerWaalsContact O-CB 3.24Å; E676-L680 WeakPolarHBondContact O-CB 3.42Å; E676-L680 WeakPolarHBondContact O-CG 3.33Å; E676-L680 PolarHBondContact O-N 2.69Å; N677-L680 PolarHBondContact O-N 2.76Å; E678-L680 PolarHBondContact O-N 3.09Å; L680-K684 WeakPolarHBondContact O-CB 3.4Å; L680-K684 PolarHBondContact O-N 2.85Å
681	S	76.6	Confident	76.5	Confident	71 Å²	71	74.1 Å²	74.1	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-67.2	-40	177.6	82.6	0	0	0	0	111.9	N677 E678 L679 K684 R685	N677-S681 VanDerWaalsContact O-CB 3.25Å; N677-S681 WeakPolarHBondContact O-CB 3.3Å; N677-S681 PolarHBondContact O-N 3.41Å; E678-S681 WeakPolarHBondContact O-CB 3.4Å; E678-S681 PolarHBondContact O-N 2.9Å; E678-S681 VanDerWaalsContact O-N 3.11Å; E678-S681 PolarHBondContact O-OG 3.31Å; L679-S681 VanDerWaalsContact C-N 3.33Å; S681-K684 WeakPolarHBondContact O-CB 3.39Å; S681-K684 PolarHBondContact O-N 3.46Å; S681-R685 WeakPolarHBondContact O-CB 3.38Å; S681-R685 PolarHBondContact O-N 3.39Å
682	E	77.4	Confident	75.6	Confident	63 Å²	63	76.6 Å²	76.6	29%	0.294	37%	0.373	S	S	.	.	H	α-helix	trans	-70.2	-47.9	177.1	179	60.2	-175.4	0	0	110.8	E678 L679 K684 R685 L686	E678-E682 PolarHBondContact O-N 3.33Å; L679-E682 PolarHBondContact O-N 2.8Å; E682-K684 PolarHBondContact O-N 3.33Å; E682-R685 WeakPolarHBondContact O-CB 3.22Å; E682-R685 PolarHBondContact O-N 2.87Å; E682-R685 IonicContact OE1-CZ 2.85Å; E682-R685 IonicContact OE1-NE 3.16Å; E682-R685 IonicContact OE1-NH2 2.6Å; E682-R685 PolarHBondContact OE1-NH2 3.18Å; E682-R685 IonicContact OE2-CZ 2.65Å; E682-R685 IonicContact OE2-NE 2.86Å; E682-R685 PolarHBondContact OE2-NE 2.81Å; E682-R685 IonicContact OE2-NH2 2.65Å; E682-R685 PolarHBondContact OE2-NH2 2.8Å; E682-L686 HydrophobicContact CG-CD1 4.09Å; E682-L686 HydrophobicContact CG-CG 4.36Å; E682-L686 VanDerWaalsContact O-CG 3.29Å; E682-L686 WeakPolarHBondContact O-CG 3.35Å; E682-L686 PolarHBondContact O-N 3.18Å; E682-L686 WeakPolarHBondContact OE1-CD2 3.49Å
683	K	76.6	Confident	74.6	Confident	68 Å²	68	80.2 Å²	80.2	30%	0.296	38%	0.384	S	S	.	.	H	α-helix	trans	-52.8	-39.8	171.1	176.6	173.7	169.6	177.5	0	112	V392 N393 L396 L679 S687	V392-K683 HydrophobicContact CG1-CB 3.87Å; N393-K683 WeakPolarHBondContact OD1-CE 3.3Å; N393-K683 PolarHBondContact OD1-NZ 3.14Å; L396-K683 HydrophobicContact CD1-CD 3.89Å; L679-K683 VanDerWaalsContact O-CB 3.25Å; L679-K683 WeakPolarHBondContact O-CB 3.49Å; L679-K683 PolarHBondContact O-N 2.77Å; K683-S687 WeakPolarHBondContact O-CB 3.36Å; K683-S687 PolarHBondContact O-N 3.4Å; K683-S687 VanDerWaalsContact O-N 3.1Å
684	K	74.1	Confident	73.7	Confident	132 Å²	132	86.9 Å²	86.9	57%	0.574	41%	0.406	S	S	*	.	H	α-helix	trans	-68.3	-44.4	174.9	-174.6	-178.3	178.1	-169.9	0	111.6	L680 S681 E682 S687 E688	L680-K684 WeakPolarHBondContact O-CB 3.4Å; L680-K684 PolarHBondContact O-N 2.85Å; S681-K684 WeakPolarHBondContact O-CB 3.39Å; S681-K684 PolarHBondContact O-N 3.46Å; E682-K684 PolarHBondContact O-N 3.33Å; K684-S687 PolarHBondContact O-N 3.39Å; K684-E688 WeakPolarHBondContact CE-OE1 3.08Å; K684-E688 HydrophobicContact CG-CG 4.36Å; K684-E688 VanDerWaalsContact O-CB 3.26Å; K684-E688 WeakPolarHBondContact O-CB 3.19Å; K684-E688 WeakPolarHBondContact O-CG 3.3Å; K684-E688 PolarHBondContact O-N 3.16Å
685	R	75.1	Confident	72.8	Confident	127 Å²	127	83.8 Å²	83.8	48%	0.479	40%	0.399	S	S	.	.	H	α-helix	trans	-58.7	-49	176.9	-170.7	-177.7	72.2	94.9	1.3	112.1	S681 E682 E688 L689	S681-R685 WeakPolarHBondContact O-CB 3.38Å; S681-R685 PolarHBondContact O-N 3.39Å; E682-R685 WeakPolarHBondContact O-CB 3.22Å; E682-R685 PolarHBondContact O-N 2.87Å; E682-R685 IonicContact OE1-CZ 2.85Å; E682-R685 IonicContact OE1-NE 3.16Å; E682-R685 IonicContact OE1-NH2 2.6Å; E682-R685 PolarHBondContact OE1-NH2 3.18Å; E682-R685 IonicContact OE2-CZ 2.65Å; E682-R685 IonicContact OE2-NE 2.86Å; E682-R685 PolarHBondContact OE2-NE 2.81Å; E682-R685 IonicContact OE2-NH2 2.65Å; E682-R685 PolarHBondContact OE2-NH2 2.8Å; R685-E688 PolarHBondContact O-N 2.82Å; R685-L689 PolarHBondContact O-N 3.32Å
686	L	70.9	Confident	71.9	Confident	5 Å²	5	80.1 Å²	80.1	3%	0.026	38%	0.382	C	S	.	.	H	α-helix	trans	-65.1	-39.8	179.5	-59.6	176.9	0	0	0	111.7	V385 Q388 I389 E682 K690	V385-L686 HydrophobicContact CG1-CB 3.72Å; V385-L686 HydrophobicContact CG1-CD1 4.29Å; V385-L686 HydrophobicContact CG1-CD2 3.44Å; V385-L686 VanDerWaalsContact CG1-CD2 3.44Å; V385-L686 HydrophobicContact CG1-CG 3.97Å; Q388-L686 HydrophobicContact CB-CD1 3.85Å; I389-L686 HydrophobicContact CD1-CB 4.16Å; I389-L686 HydrophobicContact CG1-CB 3.84Å; I389-L686 HydrophobicContact CG1-CD1 4.21Å; E682-L686 HydrophobicContact CG-CD1 4.09Å; E682-L686 HydrophobicContact CG-CG 4.36Å; E682-L686 VanDerWaalsContact O-CG 3.29Å; E682-L686 WeakPolarHBondContact O-CG 3.35Å; E682-L686 PolarHBondContact O-N 3.18Å; E682-L686 WeakPolarHBondContact OE1-CD2 3.49Å; L686-K690 PolarHBondContact O-N 2.96Å
687	S	65.2	Low	71	Confident	71 Å²	71	83.1 Å²	83.1	50%	0.497	40%	0.396	S	S	.	.	H	α-helix	trans	-69.4	-40.1	174.2	-169.9	0	0	0	0	112.6	K683 K684 K690 G691	K683-S687 WeakPolarHBondContact O-CB 3.36Å; K683-S687 PolarHBondContact O-N 3.4Å; K683-S687 VanDerWaalsContact O-N 3.1Å; K684-S687 PolarHBondContact O-N 3.39Å; S687-K690 PolarHBondContact O-N 3.28Å; S687-G691 PolarHBondContact O-N 2.93Å
688	E	67.7	Low	70.3	Confident	74 Å²	74	84.8 Å²	84.8	35%	0.346	40%	0.4	S	S	.	.	H	α-helix	trans	-64.6	-39.1	176.8	-85.8	-171.5	-153.3	0	0	112.4	K684 R685 G691 K692	K684-E688 WeakPolarHBondContact CE-OE1 3.08Å; K684-E688 HydrophobicContact CG-CG 4.36Å; K684-E688 VanDerWaalsContact O-CB 3.26Å; K684-E688 WeakPolarHBondContact O-CB 3.19Å; K684-E688 WeakPolarHBondContact O-CG 3.3Å; K684-E688 PolarHBondContact O-N 3.16Å; R685-E688 PolarHBondContact O-N 2.82Å; E688-G691 PolarHBondContact O-N 3.36Å; E688-K692 HydrophobicContact CB-CD 4.46Å; E688-K692 VanDerWaalsContact O-CB 3.26Å; E688-K692 WeakPolarHBondContact O-CB 3.35Å; E688-K692 WeakPolarHBondContact O-CG 3.27Å; E688-K692 PolarHBondContact O-N 3.01Å; E688-K692 VanDerWaalsContact OE2-CE 3.22Å; E688-K692 WeakPolarHBondContact OE2-CE 3.5Å; E688-K692 IonicContact OE2-NZ 4Å; E688-K692 PolarHBondContact OE2-NZ 3.37Å
689	L	65.9	Low	69.8	Low	58 Å²	58	83 Å²	83	30%	0.304	39%	0.39	S	S	.	.	H	α-helix	trans	-58.8	-48.4	173.9	-81.8	160.4	0	0	0	111.1	R685 G691 K692 R693	R685-L689 PolarHBondContact O-N 3.32Å; L689-G691 VanDerWaalsContact C-N 3.3Å; L689-G691 PolarHBondContact O-N 3.32Å; L689-K692 PolarHBondContact O-N 3.33Å; L689-R693 PolarHBondContact O-N 2.87Å
690	K	66.8	Low	69.1	Low	102 Å²	102	81.9 Å²	81.9	44%	0.443	38%	0.384	S	S	.	.	H	α-helix	trans	-63.6	-33.6	177.1	-163.3	160.6	-171.1	147.5	0	112.6	D384 T386 L686 S687	D384-K690 IonicContact OD1-NZ 3.01Å; D384-K690 PolarHBondContact OD1-NZ 2.87Å; D384-K690 IonicContact OD2-NZ 3.29Å; T386-K690 PolarHBondContact OG1-NZ 3.46Å; L686-K690 PolarHBondContact O-N 2.96Å; S687-K690 PolarHBondContact O-N 3.28Å
691	G	62.4	Low	68.8	Low	29 Å²	29	81.6 Å²	81.6	30%	0.299	39%	0.389	S	S	.	.	H	α-helix	trans	-76.2	-42.3	175.5	0	0	0	0	0	114.5	S687 E688 L689 Q695	S687-G691 PolarHBondContact O-N 2.93Å; E688-G691 PolarHBondContact O-N 3.36Å; L689-G691 VanDerWaalsContact C-N 3.3Å; L689-G691 PolarHBondContact O-N 3.32Å; G691-Q695 WeakPolarHBondContact O-CB 3.48Å; G691-Q695 WeakPolarHBondContact O-CG 3.32Å; G691-Q695 PolarHBondContact O-N 2.87Å
692	K	65.9	Low	68.4	Low	104 Å²	104	82.4 Å²	82.4	45%	0.452	39%	0.391	S	S	.	.	H	α-helix	trans	-63.5	-48.4	-174.1	-79.7	167	-173.5	168.9	0	111.8	E688 L689 R694 Q695 L696	E688-K692 HydrophobicContact CB-CD 4.46Å; E688-K692 VanDerWaalsContact O-CB 3.26Å; E688-K692 WeakPolarHBondContact O-CB 3.35Å; E688-K692 WeakPolarHBondContact O-CG 3.27Å; E688-K692 PolarHBondContact O-N 3.01Å; E688-K692 VanDerWaalsContact OE2-CE 3.22Å; E688-K692 WeakPolarHBondContact OE2-CE 3.5Å; E688-K692 IonicContact OE2-NZ 4Å; E688-K692 PolarHBondContact OE2-NZ 3.37Å; L689-K692 PolarHBondContact O-N 3.33Å; K692-R694 PolarHBondContact O-N 3.48Å; K692-Q695 PolarHBondContact O-N 3.42Å; K692-Q695 VanDerWaalsContact O-N 3.14Å; K692-L696 WeakPolarHBondContact O-CG 3.48Å; K692-L696 PolarHBondContact O-N 2.76Å
693	R	66	Low	68.2	Low	105 Å²	105	83.7 Å²	83.7	40%	0.396	40%	0.395	S	S	.	.	H	α-helix	trans	-51.1	-56	177.2	179.8	172.3	175.8	158.2	0.7	111.9	I379 L689 Q695 L696 E697	I379-R693 HydrophobicContact CG2-CB 4.15Å; L689-R693 PolarHBondContact O-N 2.87Å; R693-Q695 VanDerWaalsContact C-N 3.3Å; R693-Q695 PolarHBondContact O-N 3.34Å; R693-L696 PolarHBondContact O-N 3.36Å; R693-E697 WeakPolarHBondContact CG-OE1 3.25Å; R693-E697 IonicContact NE-OE1 3.36Å; R693-E697 WeakPolarHBondContact O-CG 3.4Å; R693-E697 PolarHBondContact O-N 2.9Å
694	R	62.7	Low	67.9	Low	191 Å²	191	84.1 Å²	84.1	72%	0.721	40%	0.398	S	S	*	.	H	α-helix	trans	-63.9	-31.5	-179.6	-165.1	176.2	-174.9	177.8	3.4	113.4	K692 Q698	K692-R694 PolarHBondContact O-N 3.48Å; R694-Q698 PolarHBondContact O-N 3.01Å
695	Q	63.6	Low	67.6	Low	104 Å²	104	81.8 Å²	81.8	49%	0.486	39%	0.392	S	S	.	.	H	α-helix	trans	-75	-35.5	174.6	-76.6	-172.4	26.2	0	0	113.3	G691 K692 R693 K699	G691-Q695 WeakPolarHBondContact O-CB 3.48Å; G691-Q695 WeakPolarHBondContact O-CG 3.32Å; G691-Q695 PolarHBondContact O-N 2.87Å; K692-Q695 PolarHBondContact O-N 3.42Å; K692-Q695 VanDerWaalsContact O-N 3.14Å; R693-Q695 VanDerWaalsContact C-N 3.3Å; R693-Q695 PolarHBondContact O-N 3.34Å; Q695-K699 WeakPolarHBondContact O-CB 3.28Å; Q695-K699 WeakPolarHBondContact O-CD 3.32Å; Q695-K699 WeakPolarHBondContact O-CG 3.49Å; Q695-K699 PolarHBondContact O-N 2.82Å
696	L	65.4	Low	67.3	Low	13 Å²	13	77.6 Å²	77.6	7%	0.068	38%	0.382	C	S	.	.	H	α-helix	trans	-65	-49	178.1	-72.6	170.4	0	0	0	110.4	L372 E375 L376 I379 K692 R693 Q698 K699 I700	L372-L696 HydrophobicContact CD2-CD2 3.47Å; L372-L696 VanDerWaalsContact CD2-CD2 3.47Å; E375-L696 HydrophobicContact CB-CD1 4.41Å; L376-L696 HydrophobicContact CD1-CB 3.94Å; L376-L696 HydrophobicContact CD1-CD1 4.5Å; I379-L696 HydrophobicContact CD1-CD1 3.69Å; K692-L696 WeakPolarHBondContact O-CG 3.48Å; K692-L696 PolarHBondContact O-N 2.76Å; R693-L696 PolarHBondContact O-N 3.36Å; L696-Q698 VanDerWaalsContact C-N 3.32Å; L696-Q698 PolarHBondContact O-N 3.1Å; L696-K699 PolarHBondContact O-N 3.19Å; L696-K699 VanDerWaalsContact O-N 3.17Å; L696-I700 WeakPolarHBondContact O-CD1 3.44Å; L696-I700 VanDerWaalsContact O-CG1 3.3Å; L696-I700 WeakPolarHBondContact O-CG1 3.31Å; L696-I700 PolarHBondContact O-N 2.89Å
697	E	63.9	Low	67.4	Low	86 Å²	86	78.5 Å²	78.5	40%	0.402	39%	0.387	S	S	.	.	H	α-helix	trans	-51	-48.8	175.7	-67.2	161.5	178.8	0	0	111.6	L376 R693	L376-E697 HydrophobicContact CD1-CG 3.77Å; L376-E697 HydrophobicContact CD2-CG 4.18Å; R693-E697 WeakPolarHBondContact CG-OE1 3.25Å; R693-E697 IonicContact NE-OE1 3.36Å; R693-E697 WeakPolarHBondContact O-CG 3.4Å; R693-E697 PolarHBondContact O-N 2.9Å
698	Q	65.9	Low	67.6	Low	137 Å²	137	81 Å²	81	64%	0.64	39%	0.389	S	S	*	.	H	α-helix	trans	-73.3	-31.9	-179.1	-164.7	174.8	11	0	0	113.9	R694 L696 T702	R694-Q698 PolarHBondContact O-N 3.01Å; L696-Q698 VanDerWaalsContact C-N 3.32Å; L696-Q698 PolarHBondContact O-N 3.1Å; Q698-T702 PolarHBondContact O-N 2.93Å; Q698-T702 PolarHBondContact O-OG1 2.7Å
699	K	71.7	Confident	67.5	Low	94 Å²	94	84.2 Å²	84.2	41%	0.409	40%	0.404	S	S	.	.	H	α-helix	trans	-71.5	-36.5	176.9	-76.7	167.7	-170.1	167.9	0	112.5	L372 Q695 L696 T702 K703	L372-K699 HydrophobicContact CD1-CB 4.49Å; Q695-K699 WeakPolarHBondContact O-CB 3.28Å; Q695-K699 WeakPolarHBondContact O-CD 3.32Å; Q695-K699 WeakPolarHBondContact O-CG 3.49Å; Q695-K699 PolarHBondContact O-N 2.82Å; L696-K699 PolarHBondContact O-N 3.19Å; L696-K699 VanDerWaalsContact O-N 3.17Å; K699-T702 PolarHBondContact O-OG1 2.83Å; K699-K703 WeakPolarHBondContact O-CB 3.46Å; K699-K703 VanDerWaalsContact O-CG 3.29Å; K699-K703 WeakPolarHBondContact O-CG 3.33Å; K699-K703 PolarHBondContact O-N 3.29Å; K699-K703 VanDerWaalsContact O-N 3.1Å
700	I	70	Confident	67.4	Low	13 Å²	13	84 Å²	84	7%	0.067	40%	0.402	C	S	.	.	H	α-helix	trans	-63.1	-50	179.3	-69.3	161.4	0	0	0	110.3	L372 K373 L376 L696 K703 Q704	L372-I700 HydrophobicContact CB-CD1 4.16Å; L372-I700 HydrophobicContact CB-CG1 3.69Å; L372-I700 HydrophobicContact CD1-CG1 4.48Å; K373-I700 HydrophobicContact CD-CG2 4.49Å; K373-I700 HydrophobicContact CG-CD1 4.09Å; K373-I700 HydrophobicContact CG-CG1 4.47Å; K373-I700 HydrophobicContact CG-CG2 4.09Å; L376-I700 HydrophobicContact CB-CD1 4.33Å; L376-I700 HydrophobicContact CD2-CD1 4.05Å; L696-I700 WeakPolarHBondContact O-CD1 3.44Å; L696-I700 VanDerWaalsContact O-CG1 3.3Å; L696-I700 WeakPolarHBondContact O-CG1 3.31Å; L696-I700 PolarHBondContact O-N 2.89Å; I700-K703 PolarHBondContact O-N 3.03Å; I700-Q704 WeakPolarHBondContact O-CG 3.42Å; I700-Q704 PolarHBondContact O-N 3.14Å; I700-Q704 VanDerWaalsContact O-N 3.08Å
701	S	70.9	Confident	67.3	Low	67 Å²	67	83 Å²	83	47%	0.469	40%	0.399	S	S	.	.	H	α-helix	trans	-55.6	-57.9	177.2	163.1	0	0	0	0	111.9	K703 Q704 D705	S701-K703 VanDerWaalsContact C-N 3.25Å; S701-K703 PolarHBondContact O-N 3.33Å; S701-Q704 PolarHBondContact O-N 3.46Å; S701-D705 PolarHBondContact O-N 2.86Å
702	T	69.3	Low	67.1	Low	87 Å²	87	89.2 Å²	89.2	53%	0.534	42%	0.42	S	S	.	.	H	α-helix	trans	-61.6	-28.6	-178.1	45.5	0	0	0	0	114	Q698 K699 S706	Q698-T702 PolarHBondContact O-N 2.93Å; Q698-T702 PolarHBondContact O-OG1 2.7Å; K699-T702 PolarHBondContact O-OG1 2.83Å; T702-S706 WeakPolarHBondContact O-CB 3.39Å; T702-S706 PolarHBondContact O-N 2.88Å
703	K	72.9	Confident	66.7	Low	90 Å²	90	89.8 Å²	89.8	39%	0.391	43%	0.428	S	S	.	.	H	α-helix	trans	-75.5	-35.2	173.2	-74	-70.3	-179.9	-177.1	0	113.4	T365 I369 K699 I700 S701 L707	T365-K703 HydrophobicContact CG2-CD 4.32Å; I369-K703 HydrophobicContact CD1-CB 4.05Å; I369-K703 HydrophobicContact CG1-CB 3.68Å; K699-K703 WeakPolarHBondContact O-CB 3.46Å; K699-K703 VanDerWaalsContact O-CG 3.29Å; K699-K703 WeakPolarHBondContact O-CG 3.33Å; K699-K703 PolarHBondContact O-N 3.29Å; K699-K703 VanDerWaalsContact O-N 3.1Å; I700-K703 PolarHBondContact O-N 3.03Å; S701-K703 VanDerWaalsContact C-N 3.25Å; S701-K703 PolarHBondContact O-N 3.33Å; K703-L707 PolarHBondContact O-N 3.37Å; K703-L707 VanDerWaalsContact O-N 3.14Å
704	Q	69.9	Low	66.5	Low	78 Å²	78	90.1 Å²	90.1	36%	0.364	44%	0.442	S	S	.	.	H	α-helix	trans	-66	-38.2	178.8	-75.6	-175.8	-104.7	0	0	112.9	I369 I700 S701	I369-Q704 HydrophobicContact CD1-CG 4.08Å; I369-Q704 HydrophobicContact CG1-CG 4.38Å; I369-Q704 HydrophobicContact CG2-CG 3.75Å; I700-Q704 WeakPolarHBondContact O-CG 3.42Å; I700-Q704 PolarHBondContact O-N 3.14Å; I700-Q704 VanDerWaalsContact O-N 3.08Å; S701-Q704 PolarHBondContact O-N 3.46Å
705	D	68.2	Low	66.4	Low	82 Å²	82	84.4 Å²	84.4	44%	0.439	43%	0.425	S	S	.	.	H	α-helix	trans	-79.7	-32.4	178.4	-65.4	-45.9	0	0	0	112.8	S701 L707 K708	S701-D705 PolarHBondContact O-N 2.86Å; D705-L707 VanDerWaalsContact C-N 3.27Å; D705-L707 PolarHBondContact O-N 3.37Å; D705-K708 PolarHBondContact O-N 3.12Å; D705-K708 IonicContact OD1-NZ 2.68Å; D705-K708 PolarHBondContact OD1-NZ 3.28Å
706	S	68.1	Low	66.7	Low	40 Å²	40	84.1 Å²	84.1	28%	0.28	43%	0.426	S	S	.	.	H	α-helix	trans	-61.7	-33.5	171.1	-179.8	0	0	0	0	112.8	T702	T702-S706 WeakPolarHBondContact O-CB 3.39Å; T702-S706 PolarHBondContact O-N 2.88Å
707	L	72.5	Confident	66.8	Low	23 Å²	23	86 Å²	86	12%	0.12	44%	0.436	C	S	.	.	H	α-helix	trans	-64.3	-45.9	177.2	178.6	64.5	0	0	0	112.1	I362 T365 R366 I369 K703 D705 Q709 M710 E711	I362-L707 HydrophobicContact CG2-CD1 4.05Å; T365-L707 HydrophobicContact CG2-CB 4.27Å; T365-L707 HydrophobicContact CG2-CD1 4.32Å; R366-L707 HydrophobicContact CG-CD1 3.86Å; R366-L707 HydrophobicContact CG-CD2 3.6Å; R366-L707 HydrophobicContact CG-CG 4.39Å; I369-L707 HydrophobicContact CD1-CB 4.42Å; I369-L707 HydrophobicContact CD1-CD2 4.09Å; K703-L707 PolarHBondContact O-N 3.37Å; K703-L707 VanDerWaalsContact O-N 3.14Å; D705-L707 VanDerWaalsContact C-N 3.27Å; D705-L707 PolarHBondContact O-N 3.37Å; L707-Q709 PolarHBondContact O-N 3.2Å; L707-M710 PolarHBondContact O-N 2.7Å; L707-M710 VanDerWaalsContact O-N 3.11Å; L707-E711 HydrophobicContact CD1-CG 4.48Å; L707-E711 WeakPolarHBondContact CD1-OE1 3.49Å; L707-E711 WeakPolarHBondContact CG-OE1 3.48Å; L707-E711 PolarHBondContact O-N 3.25Å
708	K	69.6	Low	67.2	Low	124 Å²	124	89.7 Å²	89.7	54%	0.539	45%	0.451	S	S	.	.	H	α-helix	trans	-58.9	-31.2	-179.5	-66.8	172.6	-173.3	153.6	0	113.3	D705	D705-K708 PolarHBondContact O-N 3.12Å; D705-K708 IonicContact OD1-NZ 2.68Å; D705-K708 PolarHBondContact OD1-NZ 3.28Å
709	Q	65.5	Low	67.6	Low	141 Å²	141	89.2 Å²	89.2	66%	0.659	45%	0.447	S	S	*	.	H	α-helix	trans	-77.1	-29.2	179.4	-67.9	-177.5	-11.5	0	0	113	L707 N713	L707-Q709 PolarHBondContact O-N 3.2Å; Q709-N713 PolarHBondContact O-ND2 3.19Å
710	M	64.9	Low	67.7	Low	55 Å²	55	86.9 Å²	86.9	27%	0.271	44%	0.44	S	S	.	.	H	α-helix	trans	-72.8	-37.3	175.9	-64.5	179.9	-175.3	0	0	111.2	H358 I362 L707 Q712 N713	H358-M710 PolarHBondContact CE1-O 2.71Å; H358-M710 VanDerWaalsContact CE1-O 3.26Å; H358-M710 PolarHBondContact NE2-O 3.02Å; I362-M710 HydrophobicContact CD1-CB 4.11Å; I362-M710 HydrophobicContact CG1-CB 3.78Å; I362-M710 HydrophobicContact CG1-SD 4.47Å; L707-M710 PolarHBondContact O-N 2.7Å; L707-M710 VanDerWaalsContact O-N 3.11Å; M710-Q712 PolarHBondContact O-N 3.43Å; M710-N713 PolarHBondContact O-N 2.99Å
711	E	63.6	Low	68	Low	80 Å²	80	89 Å²	89	37%	0.374	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-4.8	-178	-66.7	174.6	173	0	0	114.5	I362 R366 L707	I362-E711 HydrophobicContact CG2-CG 4.45Å; R366-E711 IonicContact CZ-OE1 2.65Å; R366-E711 VanDerWaalsContact CZ-OE1 3.26Å; R366-E711 IonicContact NE-OE1 2.76Å; R366-E711 PolarHBondContact NE-OE1 3.31Å; R366-E711 IonicContact NH2-OE1 2.67Å; R366-E711 PolarHBondContact NH2-OE1 2.82Å; R366-E711 IonicContact NH2-OE2 2.69Å; L707-E711 HydrophobicContact CD1-CG 4.48Å; L707-E711 WeakPolarHBondContact CD1-OE1 3.49Å; L707-E711 WeakPolarHBondContact CG-OE1 3.48Å; L707-E711 PolarHBondContact O-N 3.25Å
712	Q	58.4	Low	68.4	Low	160 Å²	160	92 Å²	92	75%	0.748	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-8.9	-179.9	-68.1	-176.6	-18.7	0	0	115	M710	M710-Q712 PolarHBondContact O-N 3.43Å
713	N	57.5	Low	68.9	Low	115 Å²	115	92.2 Å²	92.2	62%	0.615	45%	0.452	S	S	*	.			trans	-119.1	86.7	-175.2	-68.8	-68.5	0	0	0	111.4	H358 Q709 M710	H358-N713 PolarHBondContact CE1-O 3.15Å; Q709-N713 PolarHBondContact O-ND2 3.19Å; M710-N713 PolarHBondContact O-N 2.99Å
714	V	61.8	Low	69.2	Low	112 Å²	112	88.6 Å²	88.6	68%	0.679	44%	0.437	S	S	*	.			trans	-111.8	133.6	-178.9	-178.3	0	0	0	0	110.7
715	I	60.8	Low	69.7	Low	71 Å²	71	89.7 Å²	89.7	36%	0.364	44%	0.44	S	S	.	.			trans	-91.6	129.8	177.4	-56.1	173.8	0	0	0	110.4	E355 L717	E355-I715 VanDerWaalsContact OE2-CB 3.24Å; E355-I715 WeakPolarHBondContact OE2-CB 3.18Å; E355-I715 WeakPolarHBondContact OE2-CG1 3.2Å; E355-I715 PolarHBondContact OE2-N 3.02Å; I715-L717 PolarHBondContact O-N 3.27Å
716	D	69.6	Low	70.5	Confident	98 Å²	98	90.8 Å²	90.8	52%	0.524	44%	0.443	S	S	.	.			trans	-74	86.5	172.1	-177.7	4.3	0	0	0	111.5	K718 K719	D716-K718 PolarHBondContact O-N 2.84Å; D716-K718 WeakPolarHBondContact OD1-CB 3.36Å; D716-K718 PolarHBondContact OD1-N 3.3Å; D716-K719 PolarHBondContact OD1-N 3.41Å
717	L	67.2	Low	71.2	Confident	53 Å²	53	94 Å²	94	28%	0.277	45%	0.452	S	S	.	.	H	α-helix	trans	-57.4	-30.8	176.5	-75.1	172	0	0	0	113.7	Q352 E355 I715 V720 E721	Q352-L717 HydrophobicContact CG-CD2 4.28Å; E355-L717 HydrophobicContact CB-CD1 4.06Å; E355-L717 HydrophobicContact CB-CD2 4.36Å; E355-L717 HydrophobicContact CB-CG 4.36Å; E355-L717 HydrophobicContact CG-CD1 3.98Å; E355-L717 HydrophobicContact CG-CG 4.38Å; I715-L717 PolarHBondContact O-N 3.27Å; L717-V720 PolarHBondContact O-N 2.83Å; L717-E721 PolarHBondContact O-N 2.87Å
718	K	72	Confident	71.8	Confident	163 Å²	163	94.6 Å²	94.6	71%	0.709	46%	0.455	S	S	*	.	H	α-helix	trans	-66.7	-46.8	-174.3	-69.9	-178.5	176.7	178	0	110.9	D716 V720 E721 E722	D716-K718 PolarHBondContact O-N 2.84Å; D716-K718 WeakPolarHBondContact OD1-CB 3.36Å; D716-K718 PolarHBondContact OD1-N 3.3Å; K718-V720 VanDerWaalsContact C-N 3.33Å; K718-V720 PolarHBondContact O-N 2.77Å; K718-E721 PolarHBondContact O-N 2.78Å; K718-E722 PolarHBondContact O-N 3.47Å; K718-E722 VanDerWaalsContact O-N 3.09Å
719	K	75	Confident	72.6	Confident	127 Å²	127	94.5 Å²	94.5	55%	0.552	45%	0.454	S	S	*	.	H	α-helix	trans	-60	-42.4	176.4	-173.2	177.6	179	-178.8	0	112.1	D716 E721 E722 E723	D716-K719 PolarHBondContact OD1-N 3.41Å; K719-E721 VanDerWaalsContact C-N 3.35Å; K719-E721 PolarHBondContact O-N 3.03Å; K719-E722 PolarHBondContact O-N 2.81Å; K719-E723 PolarHBondContact O-N 3.22Å; K719-E723 VanDerWaalsContact O-N 3.1Å
720	V	74.5	Confident	73.6	Confident	45 Å²	45	90.6 Å²	90.6	27%	0.273	45%	0.446	S	S	.	.	H	α-helix	trans	-65.2	-37.7	178.4	179.5	0	0	0	0	111.6	L348 L717 K718 T724	L348-V720 HydrophobicContact CD1-CG1 4.04Å; L717-V720 PolarHBondContact O-N 2.83Å; K718-V720 VanDerWaalsContact C-N 3.33Å; K718-V720 PolarHBondContact O-N 2.77Å; V720-T724 WeakPolarHBondContact O-CB 3.34Å; V720-T724 PolarHBondContact O-N 3.27Å; V720-T724 VanDerWaalsContact O-N 3.15Å; V720-T724 PolarHBondContact O-OG1 2.71Å
721	E	75.1	Confident	74.6	Confident	59 Å²	59	88.4 Å²	88.4	28%	0.276	44%	0.436	S	S	.	.	H	α-helix	trans	-65.3	-43.2	174.2	-84.9	-161.6	-165.9	0	0	113.4	L348 Q352 L717 K718 K719 T724 K725	L348-E721 HydrophobicContact CD1-CG 3.89Å; L348-E721 HydrophobicContact CD2-CG 4.23Å; Q352-E721 PolarHBondContact NE2-OE1 3.47Å; L717-E721 PolarHBondContact O-N 2.87Å; K718-E721 PolarHBondContact O-N 2.78Å; K719-E721 VanDerWaalsContact C-N 3.35Å; K719-E721 PolarHBondContact O-N 3.03Å; E721-T724 PolarHBondContact O-N 2.81Å; E721-K725 WeakPolarHBondContact O-CD 3.45Å; E721-K725 VanDerWaalsContact O-CG 3.23Å; E721-K725 WeakPolarHBondContact O-CG 3.38Å; E721-K725 PolarHBondContact O-N 2.85Å; E721-K725 WeakPolarHBondContact OE2-CE 3.1Å; E721-K725 IonicContact OE2-NZ 2.67Å; E721-K725 PolarHBondContact OE2-NZ 2.9Å
722	E	80.2	Confident	75.7	Confident	129 Å²	129	87.9 Å²	87.9	60%	0.603	44%	0.436	S	S	*	.	H	α-helix	trans	-65.4	-47.7	-179.6	-71.9	178.3	173.3	0	0	111.7	K718 K719 T724 K725 E726	K718-E722 PolarHBondContact O-N 3.47Å; K718-E722 VanDerWaalsContact O-N 3.09Å; K719-E722 PolarHBondContact O-N 2.81Å; E722-T724 PolarHBondContact O-N 2.95Å; E722-K725 PolarHBondContact O-N 3.48Å; E722-K725 VanDerWaalsContact O-N 3.13Å; E722-E726 PolarHBondContact O-N 2.83Å
723	E	79.2	Confident	77.1	Confident	92 Å²	92	87.5 Å²	87.5	43%	0.43	43%	0.432	S	S	.	.	H	α-helix	trans	-57.7	-33.2	172.9	-75	-170.5	-148.8	0	0	112.9	K719 K727	K719-E723 PolarHBondContact O-N 3.22Å; K719-E723 VanDerWaalsContact O-N 3.1Å; E723-K727 WeakPolarHBondContact O-CD 3.26Å; E723-K727 WeakPolarHBondContact O-CE 3.35Å; E723-K727 VanDerWaalsContact O-CG 3.23Å; E723-K727 WeakPolarHBondContact O-CG 3.12Å; E723-K727 PolarHBondContact O-N 2.76Å; E723-K727 IonicContact OE2-NZ 2.68Å; E723-K727 PolarHBondContact OE2-NZ 3.35Å; E723-K727 VanDerWaalsContact OE2-NZ 3.12Å
724	T	78.7	Confident	78.5	Confident	13 Å²	13	85.9 Å²	85.9	8%	0.08	42%	0.423	C	S	.	.	H	α-helix	trans	-73.4	-40.1	177.5	-58.8	0	0	0	0	111.7	I344 L348 V720 E721 E722 E726 K727 I728	I344-T724 HydrophobicContact CG2-CG2 3.66Å; L348-T724 HydrophobicContact CB-CG2 4.07Å; L348-T724 HydrophobicContact CD2-CG2 3.92Å; L348-T724 HydrophobicContact CG-CG2 4.48Å; V720-T724 WeakPolarHBondContact O-CB 3.34Å; V720-T724 PolarHBondContact O-N 3.27Å; V720-T724 VanDerWaalsContact O-N 3.15Å; V720-T724 PolarHBondContact O-OG1 2.71Å; E721-T724 PolarHBondContact O-N 2.81Å; E722-T724 PolarHBondContact O-N 2.95Å; T724-E726 PolarHBondContact O-N 3.31Å; T724-K727 PolarHBondContact O-N 2.66Å; T724-I728 HydrophobicContact CG2-CD1 3.96Å; T724-I728 HydrophobicContact CG2-CG1 4.49Å; T724-I728 WeakPolarHBondContact O-CG1 3.21Å; T724-I728 PolarHBondContact O-N 2.96Å
725	K	82.1	Confident	79.6	Confident	101 Å²	101	82.2 Å²	82.2	44%	0.439	40%	0.398	S	S	.	.	H	α-helix	trans	-61.4	-42	179.2	-73.6	158.1	-168.5	164.7	0	111.4	E721 E722 I728 K729	E721-K725 WeakPolarHBondContact O-CD 3.45Å; E721-K725 VanDerWaalsContact O-CG 3.23Å; E721-K725 WeakPolarHBondContact O-CG 3.38Å; E721-K725 PolarHBondContact O-N 2.85Å; E721-K725 WeakPolarHBondContact OE2-CE 3.1Å; E721-K725 IonicContact OE2-NZ 2.67Å; E721-K725 PolarHBondContact OE2-NZ 2.9Å; E722-K725 PolarHBondContact O-N 3.48Å; E722-K725 VanDerWaalsContact O-N 3.13Å; K725-I728 PolarHBondContact O-N 3.33Å; K725-K729 WeakPolarHBondContact O-CG 3.3Å; K725-K729 PolarHBondContact O-N 3Å
726	E	84.8	Confident	80.9	Confident	106 Å²	106	83.3 Å²	83.3	50%	0.495	41%	0.407	S	S	.	.	H	α-helix	trans	-67.3	-42.1	175.9	-63.3	-45.2	118.9	0	0	113.2	E722 T724 I728 K729 A730	E722-E726 PolarHBondContact O-N 2.83Å; T724-E726 PolarHBondContact O-N 3.31Å; E726-I728 VanDerWaalsContact C-N 3.29Å; E726-I728 PolarHBondContact O-N 3.42Å; E726-K729 WeakPolarHBondContact O-CB 3.49Å; E726-K729 PolarHBondContact O-N 3.12Å; E726-K729 WeakPolarHBondContact OE1-CE 3.37Å; E726-K729 IonicContact OE1-NZ 3.23Å; E726-K729 PolarHBondContact OE1-NZ 2.83Å; E726-K729 VanDerWaalsContact OE2-CD 3.28Å; E726-K729 WeakPolarHBondContact OE2-CD 3.45Å; E726-K729 IonicContact OE2-NZ 2.83Å; E726-K729 PolarHBondContact OE2-NZ 2.87Å; E726-A730 PolarHBondContact O-N 2.96Å; E726-A730 VanDerWaalsContact O-N 3.1Å
727	K	83	Confident	81.7	Confident	107 Å²	107	82.5 Å²	82.5	47%	0.465	41%	0.406	S	S	.	.	H	α-helix	trans	-58.9	-41.3	175.5	-68.6	161.8	-165.2	161.5	0	111	I344 E723 T724 A730 V731	I344-K727 HydrophobicContact CD1-CB 4.42Å; E723-K727 WeakPolarHBondContact O-CD 3.26Å; E723-K727 WeakPolarHBondContact O-CE 3.35Å; E723-K727 VanDerWaalsContact O-CG 3.23Å; E723-K727 WeakPolarHBondContact O-CG 3.12Å; E723-K727 PolarHBondContact O-N 2.76Å; E723-K727 IonicContact OE2-NZ 2.68Å; E723-K727 PolarHBondContact OE2-NZ 3.35Å; E723-K727 VanDerWaalsContact OE2-NZ 3.12Å; T724-K727 PolarHBondContact O-N 2.66Å; K727-A730 PolarHBondContact O-N 2.94Å; K727-V731 WeakPolarHBondContact O-CG2 3.31Å; K727-V731 PolarHBondContact O-N 3.3Å
728	I	84.8	Confident	82.7	Confident	35 Å²	35	81 Å²	81	18%	0.179	40%	0.398	C	S	.	.	H	α-helix	trans	-68.2	-38.9	176.4	-68.4	174	0	0	0	112.4	I341 I344 K345 T724 K725 E726 V731 N732	I341-I728 HydrophobicContact CG2-CG2 4.43Å; I344-I728 HydrophobicContact CG2-CD1 4.09Å; I344-I728 HydrophobicContact CG2-CG1 3.74Å; K345-I728 HydrophobicContact CG-CD1 4.06Å; T724-I728 HydrophobicContact CG2-CD1 3.96Å; T724-I728 HydrophobicContact CG2-CG1 4.49Å; T724-I728 WeakPolarHBondContact O-CG1 3.21Å; T724-I728 PolarHBondContact O-N 2.96Å; K725-I728 PolarHBondContact O-N 3.33Å; E726-I728 VanDerWaalsContact C-N 3.29Å; E726-I728 PolarHBondContact O-N 3.42Å; I728-V731 PolarHBondContact O-N 2.91Å; I728-N732 WeakPolarHBondContact CG2-ND2 3.24Å; I728-N732 WeakPolarHBondContact O-CB 3.48Å; I728-N732 PolarHBondContact O-N 2.94Å; I728-N732 PolarHBondContact O-ND2 3Å
729	K	86.3	Confident	83.4	Confident	122 Å²	122	75.1 Å²	75.1	53%	0.53	38%	0.38	S	S	.	.	H	α-helix	trans	-58.1	-47.6	174.5	-76	169.6	177.1	175.1	0	111.6	K725 E726 V731 N732 F733	K725-K729 WeakPolarHBondContact O-CG 3.3Å; K725-K729 PolarHBondContact O-N 3Å; E726-K729 WeakPolarHBondContact O-CB 3.49Å; E726-K729 PolarHBondContact O-N 3.12Å; E726-K729 WeakPolarHBondContact OE1-CE 3.37Å; E726-K729 IonicContact OE1-NZ 3.23Å; E726-K729 PolarHBondContact OE1-NZ 2.83Å; E726-K729 VanDerWaalsContact OE2-CD 3.28Å; E726-K729 WeakPolarHBondContact OE2-CD 3.45Å; E726-K729 IonicContact OE2-NZ 2.83Å; E726-K729 PolarHBondContact OE2-NZ 2.87Å; K729-V731 PolarHBondContact O-N 3.37Å; K729-N732 PolarHBondContact O-N 2.92Å; K729-F733 PolarHBondContact O-N 3.23Å
730	A	85.9	Confident	84	Confident	59 Å²	59	73.3 Å²	73.3	49%	0.488	38%	0.38	S	S	.	.	H	α-helix	trans	-60	-44.7	-179.3	0	0	0	0	0	112.6	E726 K727 F733 L734	E726-A730 PolarHBondContact O-N 2.96Å; E726-A730 VanDerWaalsContact O-N 3.1Å; K727-A730 PolarHBondContact O-N 2.94Å; A730-F733 PolarHBondContact O-N 2.87Å; A730-L734 PolarHBondContact O-N 3.13Å
731	V	86.1	Confident	84.6	Confident	9 Å²	9	72.9 Å²	72.9	6%	0.055	38%	0.381	C	S	.	.	H	α-helix	trans	-69.8	-36.3	178	-174.1	0	0	0	0	111.7	K337 E340 I341 I344 K727 I728 K729 F733 L734 K735	K337-V731 HydrophobicContact CB-CG1 4.1Å; K337-V731 HydrophobicContact CD-CG1 4.05Å; K337-V731 HydrophobicContact CG-CG1 4.5Å; E340-V731 HydrophobicContact CG-CG2 4.44Å; E340-V731 VanDerWaalsContact OE1-CG2 3.3Å; E340-V731 WeakPolarHBondContact OE1-CG2 3.03Å; I341-V731 HydrophobicContact CD1-CB 4.06Å; I341-V731 HydrophobicContact CD1-CG1 3.86Å; I341-V731 HydrophobicContact CG1-CB 3.79Å; I341-V731 HydrophobicContact CG1-CG1 3.58Å; I344-V731 HydrophobicContact CD1-CG2 4.47Å; K727-V731 WeakPolarHBondContact O-CG2 3.31Å; K727-V731 PolarHBondContact O-N 3.3Å; I728-V731 PolarHBondContact O-N 2.91Å; K729-V731 PolarHBondContact O-N 3.37Å; V731-F733 PolarHBondContact O-N 3.38Å; V731-L734 PolarHBondContact O-N 3.35Å; V731-K735 WeakPolarHBondContact O-CG 3.42Å; V731-K735 PolarHBondContact O-N 3.19Å
732	N	86.5	Confident	85.1	Confident	69 Å²	69	70.6 Å²	70.6	37%	0.369	37%	0.37	S	S	.	.	H	α-helix	trans	-62.6	-39.1	175.2	-84	-37.1	0	0	0	112.9	I341 I728 K729 L734 K735 V736	I341-N732 WeakPolarHBondContact CD1-OD1 3.18Å; I728-N732 WeakPolarHBondContact CG2-ND2 3.24Å; I728-N732 WeakPolarHBondContact O-CB 3.48Å; I728-N732 PolarHBondContact O-N 2.94Å; I728-N732 PolarHBondContact O-ND2 3Å; K729-N732 PolarHBondContact O-N 2.92Å; N732-L734 VanDerWaalsContact C-N 3.32Å; N732-L734 PolarHBondContact O-N 2.67Å; N732-K735 WeakPolarHBondContact O-CB 3.5Å; N732-K735 PolarHBondContact O-N 2.77Å; N732-K735 VanDerWaalsContact O-N 3.15Å; N732-V736 WeakPolarHBondContact O-CG2 3.29Å; N732-V736 PolarHBondContact O-N 2.81Å
733	F	87.9	Confident	85.4	Confident	152 Å²	152	67.9 Å²	67.9	67%	0.667	36%	0.363	S	S	*	.	H	α-helix	trans	-58.1	-44.4	174.4	-176.9	-98.3	0	0	0	111.6	K729 A730 V731 K735 V736 T737	K729-F733 PolarHBondContact O-N 3.23Å; A730-F733 PolarHBondContact O-N 2.87Å; V731-F733 PolarHBondContact O-N 3.38Å; F733-K735 PolarHBondContact O-N 2.73Å; F733-V736 PolarHBondContact O-N 2.68Å; F733-T737 PolarHBondContact O-N 2.84Å; F733-T737 PolarHBondContact O-OG1 3.24Å
734	L	86.6	Confident	85.9	Confident	81 Å²	81	66 Å²	66	42%	0.424	36%	0.363	S	S	.	.	H	α-helix	trans	-64	-38.8	174.8	-63.8	173.7	0	0	0	112.5	A730 V731 N732 V736 T737 I738	A730-L734 PolarHBondContact O-N 3.13Å; V731-L734 PolarHBondContact O-N 3.35Å; N732-L734 VanDerWaalsContact C-N 3.32Å; N732-L734 PolarHBondContact O-N 2.67Å; L734-V736 PolarHBondContact O-N 2.98Å; L734-T737 PolarHBondContact O-N 3.38Å; L734-I738 WeakPolarHBondContact O-CG1 3.32Å; L734-I738 PolarHBondContact O-N 3.08Å
735	K	85.1	Confident	86.2	Confident	36 Å²	36	68 Å²	68	16%	0.157	37%	0.371	C	S	.	.	H	α-helix	trans	-61.9	-40.3	175	-71.4	179.4	73.9	178.2	0	112.1	L334 K337 I341 V731 N732 F733 I738 A739	L334-K735 HydrophobicContact CD1-CB 3.82Å; L334-K735 HydrophobicContact CD1-CG 4.01Å; L334-K735 WeakPolarHBondContact CD1-O 3.47Å; K337-K735 HydrophobicContact CB-CD 4.38Å; K337-K735 HydrophobicContact CB-CG 3.78Å; I341-K735 HydrophobicContact CD1-CD 3.55Å; V731-K735 WeakPolarHBondContact O-CG 3.42Å; V731-K735 PolarHBondContact O-N 3.19Å; N732-K735 WeakPolarHBondContact O-CB 3.5Å; N732-K735 PolarHBondContact O-N 2.77Å; N732-K735 VanDerWaalsContact O-N 3.15Å; F733-K735 PolarHBondContact O-N 2.73Å; K735-I738 PolarHBondContact O-N 3.2Å; K735-A739 WeakPolarHBondContact O-CB 3.22Å; K735-A739 PolarHBondContact O-N 3.35Å
736	V	87.8	Confident	86.4	Confident	93 Å²	93	67.4 Å²	67.4	56%	0.564	37%	0.371	S	S	*	.	H	α-helix	trans	-60.2	-50.3	175.2	173.1	0	0	0	0	110.5	N732 F733 L734 I738 A739 T740	N732-V736 WeakPolarHBondContact O-CG2 3.29Å; N732-V736 PolarHBondContact O-N 2.81Å; F733-V736 PolarHBondContact O-N 2.68Å; L734-V736 PolarHBondContact O-N 2.98Å; V736-I738 VanDerWaalsContact C-N 3.3Å; V736-I738 PolarHBondContact O-N 2.87Å; V736-A739 PolarHBondContact O-N 3.43Å; V736-A739 VanDerWaalsContact O-N 3.1Å; V736-T740 PolarHBondContact O-N 3.21Å; V736-T740 PolarHBondContact O-OG1 3.21Å; V736-T740 VanDerWaalsContact O-OG1 3.11Å
737	T	88.1	Confident	86.6	Confident	81 Å²	81	69.5 Å²	69.5	50%	0.497	38%	0.379	S	S	.	.	H	α-helix	trans	-57	-41.1	178.1	-54.7	0	0	0	0	112.6	F733 L734 A741	F733-T737 PolarHBondContact O-N 2.84Å; F733-T737 PolarHBondContact O-OG1 3.24Å; L734-T737 PolarHBondContact O-N 3.38Å; T737-A741 PolarHBondContact O-N 3.19Å
738	I	87	Confident	86.9	Confident	23 Å²	23	68.1 Å²	68.1	12%	0.118	38%	0.376	C	S	.	.	H	α-helix	trans	-67.7	-44	175.9	-64.6	163.9	0	0	0	110.9	K330 Q333 L334 K337 L734 K735 V736 T740 A741 I742	K330-I738 HydrophobicContact CD-CG2 4.44Å; K330-I738 VanDerWaalsContact O-CG2 3.31Å; K330-I738 WeakPolarHBondContact O-CG2 3.45Å; Q333-I738 HydrophobicContact CB-CD1 4.34Å; Q333-I738 HydrophobicContact CB-CG2 4.48Å; L334-I738 HydrophobicContact CB-CG2 3.86Å; L334-I738 HydrophobicContact CD1-CB 4.24Å; L334-I738 HydrophobicContact CD1-CG2 4.18Å; K337-I738 HydrophobicContact CG-CD1 4.3Å; L734-I738 WeakPolarHBondContact O-CG1 3.32Å; L734-I738 PolarHBondContact O-N 3.08Å; K735-I738 PolarHBondContact O-N 3.2Å; V736-I738 VanDerWaalsContact C-N 3.3Å; V736-I738 PolarHBondContact O-N 2.87Å; I738-T740 PolarHBondContact O-N 3.25Å; I738-A741 WeakPolarHBondContact O-CB 3.47Å; I738-A741 PolarHBondContact O-N 3.36Å; I738-A741 VanDerWaalsContact O-N 3.16Å; I738-I742 HydrophobicContact CG2-CD1 4.12Å; I738-I742 WeakPolarHBondContact O-CG1 3.42Å; I738-I742 PolarHBondContact O-N 2.68Å
739	A	86.2	Confident	87	Confident	38 Å²	38	71.2 Å²	71.2	31%	0.314	39%	0.385	S	S	.	.	H	α-helix	trans	-62	-41.6	178.7	0	0	0	0	0	112.4	K735 V736 A741 I742 V743	K735-A739 WeakPolarHBondContact O-CB 3.22Å; K735-A739 PolarHBondContact O-N 3.35Å; V736-A739 PolarHBondContact O-N 3.43Å; V736-A739 VanDerWaalsContact O-N 3.1Å; A739-A741 VanDerWaalsContact C-N 3.3Å; A739-A741 PolarHBondContact O-N 2.85Å; A739-I742 PolarHBondContact O-N 3.2Å; A739-V743 WeakPolarHBondContact O-CG2 3.43Å; A739-V743 PolarHBondContact O-N 2.95Å
740	T	87.3	Confident	87	Confident	90 Å²	90	68.2 Å²	68.2	55%	0.552	38%	0.383	S	S	*	.	H	α-helix	trans	-59.7	-40.2	173.6	-53.4	0	0	0	0	111.7	V736 I738 V743 A744	V736-T740 PolarHBondContact O-N 3.21Å; V736-T740 PolarHBondContact O-OG1 3.21Å; V736-T740 VanDerWaalsContact O-OG1 3.11Å; I738-T740 PolarHBondContact O-N 3.25Å; T740-V743 PolarHBondContact O-N 2.9Å; T740-A744 PolarHBondContact O-N 3.49Å
741	A	87.3	Confident	87.1	Confident	36 Å²	36	71.6 Å²	71.6	30%	0.298	39%	0.387	S	S	.	.	H	α-helix	trans	-67.2	-37.3	175.5	0	0	0	0	0	112.9	K330 T737 I738 A739 A744 Q745	K330-A741 HydrophobicContact CD-CB 4.42Å; T737-A741 PolarHBondContact O-N 3.19Å; I738-A741 WeakPolarHBondContact O-CB 3.47Å; I738-A741 PolarHBondContact O-N 3.36Å; I738-A741 VanDerWaalsContact O-N 3.16Å; A739-A741 VanDerWaalsContact C-N 3.3Å; A739-A741 PolarHBondContact O-N 2.85Å; A741-A744 PolarHBondContact O-N 3.19Å; A741-Q745 WeakPolarHBondContact O-CG 3.38Å; A741-Q745 PolarHBondContact O-N 2.74Å; A741-Q745 VanDerWaalsContact O-N 3.09Å
742	I	86.8	Confident	87.3	Confident	10 Å²	10	72.2 Å²	72.2	5%	0.051	39%	0.39	C	S	.	.	H	α-helix	trans	-62.1	-48.4	172.4	-65.4	167.4	0	0	0	110.1	K330 L334 I738 A739 A744 Q745 M746	K330-I742 HydrophobicContact CB-CD1 4.28Å; K330-I742 HydrophobicContact CB-CG1 3.54Å; L334-I742 HydrophobicContact CB-CD1 4.21Å; L334-I742 HydrophobicContact CD2-CD1 3.94Å; I738-I742 HydrophobicContact CG2-CD1 4.12Å; I738-I742 WeakPolarHBondContact O-CG1 3.42Å; I738-I742 PolarHBondContact O-N 2.68Å; A739-I742 PolarHBondContact O-N 3.2Å; I742-A744 VanDerWaalsContact C-N 3.29Å; I742-A744 PolarHBondContact O-N 2.74Å; I742-Q745 PolarHBondContact O-N 2.71Å; I742-M746 HydrophobicContact CG2-CE 3.64Å; I742-M746 HydrophobicContact CG2-CG 4.2Å; I742-M746 HydrophobicContact CG2-SD 4Å; I742-M746 WeakPolarHBondContact O-CB 3.47Å; I742-M746 WeakPolarHBondContact O-CG 3.22Å; I742-M746 PolarHBondContact O-N 3.18Å
743	V	86.9	Confident	87.2	Confident	73 Å²	73	71.7 Å²	71.7	44%	0.442	39%	0.389	S	S	.	.	H	α-helix	trans	-60.2	-39	178.5	171.4	0	0	0	0	111.5	A739 T740 M746 K747	A739-V743 WeakPolarHBondContact O-CG2 3.43Å; A739-V743 PolarHBondContact O-N 2.95Å; T740-V743 PolarHBondContact O-N 2.9Å; V743-M746 PolarHBondContact O-N 2.88Å; V743-K747 HydrophobicContact CG1-CD 4.26Å; V743-K747 HydrophobicContact CG1-CG 4.5Å; V743-K747 WeakPolarHBondContact O-CB 3.38Å; V743-K747 WeakPolarHBondContact O-CG 3.45Å; V743-K747 PolarHBondContact O-N 3.3Å
744	A	88.3	Confident	87.2	Confident	53 Å²	53	71.7 Å²	71.7	44%	0.438	39%	0.393	S	S	.	.	H	α-helix	trans	-62.7	-46	174.9	0	0	0	0	0	112.5	T740 A741 I742 K747 L748	T740-A744 PolarHBondContact O-N 3.49Å; A741-A744 PolarHBondContact O-N 3.19Å; I742-A744 VanDerWaalsContact C-N 3.29Å; I742-A744 PolarHBondContact O-N 2.74Å; A744-K747 PolarHBondContact O-N 2.8Å; A744-L748 PolarHBondContact O-N 2.67Å
745	Q	86.6	Confident	87.3	Confident	53 Å²	53	70.3 Å²	70.3	25%	0.248	39%	0.385	C	S	.	.	H	α-helix	trans	-68.4	-34.8	176.8	-66.7	-64.9	-48.6	0	0	112.3	K326 C327 A741 I742 L748 R749	K326-Q745 HydrophobicContact CB-CG 4.47Å; C327-Q745 WeakPolarHBondContact SG-CB 3.33Å; A741-Q745 WeakPolarHBondContact O-CG 3.38Å; A741-Q745 PolarHBondContact O-N 2.74Å; A741-Q745 VanDerWaalsContact O-N 3.09Å; I742-Q745 PolarHBondContact O-N 2.71Å; Q745-L748 PolarHBondContact O-N 2.96Å; Q745-R749 WeakPolarHBondContact O-CB 3.44Å; Q745-R749 PolarHBondContact O-N 3.36Å
746	M	85.5	Confident	87.4	Confident	90 Å²	90	71.7 Å²	71.7	44%	0.443	39%	0.391	S	S	.	.	H	α-helix	trans	-65.7	-42.1	172.8	-74.3	-174.2	175	0	0	112.2	I742 V743 R749 A750	I742-M746 HydrophobicContact CG2-CE 3.64Å; I742-M746 HydrophobicContact CG2-CG 4.2Å; I742-M746 HydrophobicContact CG2-SD 4Å; I742-M746 WeakPolarHBondContact O-CB 3.47Å; I742-M746 WeakPolarHBondContact O-CG 3.22Å; I742-M746 PolarHBondContact O-N 3.18Å; V743-M746 PolarHBondContact O-N 2.88Å; M746-R749 PolarHBondContact O-N 2.71Å; M746-A750 WeakPolarHBondContact O-CB 3.12Å; M746-A750 PolarHBondContact O-N 3.39Å
747	K	87.9	Confident	87.3	Confident	150 Å²	150	70.9 Å²	70.9	65%	0.652	39%	0.386	S	S	*	.	H	α-helix	trans	-61.7	-43.1	173.2	-76.6	178.5	177.3	-175.1	0	111.7	V743 A744 A750 K751	V743-K747 HydrophobicContact CG1-CD 4.26Å; V743-K747 HydrophobicContact CG1-CG 4.5Å; V743-K747 WeakPolarHBondContact O-CB 3.38Å; V743-K747 WeakPolarHBondContact O-CG 3.45Å; V743-K747 PolarHBondContact O-N 3.3Å; A744-K747 PolarHBondContact O-N 2.8Å; K747-A750 PolarHBondContact O-N 3.28Å; K747-K751 PolarHBondContact O-N 3.16Å
748	L	89.1	Confident	87.3	Confident	78 Å²	78	73 Å²	73	41%	0.408	39%	0.39	S	S	.	.	H	α-helix	trans	-61.3	-46.4	174.2	178.5	60.6	0	0	0	111.7	A744 Q745 A750 K751 L752	A744-L748 PolarHBondContact O-N 2.67Å; Q745-L748 PolarHBondContact O-N 2.96Å; L748-A750 VanDerWaalsContact C-N 3.34Å; L748-A750 PolarHBondContact O-N 2.76Å; L748-K751 PolarHBondContact O-N 2.92Å; L748-L752 HydrophobicContact CD1-CD1 4.07Å; L748-L752 HydrophobicContact CD1-CG 4.22Å; L748-L752 HydrophobicContact CG-CD1 4.05Å; L748-L752 WeakPolarHBondContact O-CG 2.95Å; L748-L752 PolarHBondContact O-N 2.8Å
749	R	87.9	Confident	87.2	Confident	99 Å²	99	72.7 Å²	72.7	37%	0.374	39%	0.388	S	S	.	.	H	α-helix	trans	-61.3	-42	176	-163.7	-171.8	75.2	-177.5	2	111.6	I320 A323 Q745 M746 L752 T753	I320-R749 HydrophobicContact CG2-CG 4.19Å; A323-R749 HydrophobicContact CB-CB 4.33Å; Q745-R749 WeakPolarHBondContact O-CB 3.44Å; Q745-R749 PolarHBondContact O-N 3.36Å; M746-R749 PolarHBondContact O-N 2.71Å; R749-L752 PolarHBondContact O-N 3.46Å; R749-T753 WeakPolarHBondContact O-CB 3.36Å; R749-T753 PolarHBondContact O-N 3.48Å; R749-T753 PolarHBondContact O-OG1 3.35Å
750	A	85.3	Confident	87.2	Confident	59 Å²	59	72.7 Å²	72.7	49%	0.488	39%	0.388	S	S	.	.	H	α-helix	trans	-62.6	-45.7	177	0	0	0	0	0	111.7	M746 K747 L748 T753 M754	M746-A750 WeakPolarHBondContact O-CB 3.12Å; M746-A750 PolarHBondContact O-N 3.39Å; K747-A750 PolarHBondContact O-N 3.28Å; L748-A750 VanDerWaalsContact C-N 3.34Å; L748-A750 PolarHBondContact O-N 2.76Å; A750-T753 PolarHBondContact O-N 2.85Å; A750-M754 WeakPolarHBondContact O-CB 3.25Å; A750-M754 PolarHBondContact O-N 3.27Å
751	K	89.6	Confident	87	Confident	131 Å²	131	73.9 Å²	73.9	57%	0.57	39%	0.391	S	S	*	.	H	α-helix	trans	-59.8	-49.9	174.7	177.7	170.5	173.3	171.9	0	111.9	K747 L748 T753 M754 E755	K747-K751 PolarHBondContact O-N 3.16Å; L748-K751 PolarHBondContact O-N 2.92Å; K751-T753 VanDerWaalsContact C-N 3.32Å; K751-T753 PolarHBondContact O-N 3.01Å; K751-M754 PolarHBondContact O-N 2.95Å; K751-M754 VanDerWaalsContact O-N 3.15Å; K751-E755 WeakPolarHBondContact CE-OE1 3.36Å; K751-E755 HydrophobicContact CG-CG 4.49Å; K751-E755 WeakPolarHBondContact CG-OE1 3.16Å; K751-E755 IonicContact NZ-OE1 3.17Å; K751-E755 WeakPolarHBondContact O-CG 3.47Å; K751-E755 PolarHBondContact O-N 3.11Å
752	L	89.3	Confident	86.9	Confident	22 Å²	22	75.9 Å²	75.9	12%	0.115	39%	0.394	C	S	.	.	H	α-helix	trans	-63.1	-36.6	178.6	-69.5	170.1	0	0	0	112.6	K316 A319 I320 L748 R749 K756	K316-L752 HydrophobicContact CD-CD2 4.02Å; A319-L752 HydrophobicContact CB-CD1 3.94Å; I320-L752 HydrophobicContact CD1-CB 4.32Å; I320-L752 HydrophobicContact CG1-CB 3.64Å; L748-L752 HydrophobicContact CD1-CD1 4.07Å; L748-L752 HydrophobicContact CD1-CG 4.22Å; L748-L752 HydrophobicContact CG-CD1 4.05Å; L748-L752 WeakPolarHBondContact O-CG 2.95Å; L748-L752 PolarHBondContact O-N 2.8Å; R749-L752 PolarHBondContact O-N 3.46Å; L752-K756 VanDerWaalsContact O-CB 3.32Å; L752-K756 WeakPolarHBondContact O-CB 3.49Å; L752-K756 PolarHBondContact O-N 3.08Å
753	T	85.6	Confident	86.7	Confident	58 Å²	58	77 Å²	77	36%	0.356	40%	0.399	S	S	.	.	H	α-helix	trans	-67.4	-40.2	172.7	-65.3	0	0	0	0	111.6	R749 A750 K751 K756 V757	R749-T753 WeakPolarHBondContact O-CB 3.36Å; R749-T753 PolarHBondContact O-N 3.48Å; R749-T753 PolarHBondContact O-OG1 3.35Å; A750-T753 PolarHBondContact O-N 2.85Å; K751-T753 VanDerWaalsContact C-N 3.32Å; K751-T753 PolarHBondContact O-N 3.01Å; T753-K756 PolarHBondContact O-N 3.46Å; T753-V757 HydrophobicContact CG2-CG2 4.36Å; T753-V757 WeakPolarHBondContact O-CB 3.46Å; T753-V757 VanDerWaalsContact O-CG2 3.31Å; T753-V757 WeakPolarHBondContact O-CG2 3.43Å; T753-V757 PolarHBondContact O-N 3.23Å
754	M	87.9	Confident	86.6	Confident	151 Å²	151	76.1 Å²	76.1	74%	0.744	40%	0.4	S	S	*	.	H	α-helix	trans	-64.8	-43.9	176.4	-174.3	177.3	-179.8	0	0	111.5	A750 K751 K756 V757 H758	A750-M754 WeakPolarHBondContact O-CB 3.25Å; A750-M754 PolarHBondContact O-N 3.27Å; K751-M754 PolarHBondContact O-N 2.95Å; K751-M754 VanDerWaalsContact O-N 3.15Å; M754-K756 VanDerWaalsContact C-N 3.35Å; M754-K756 PolarHBondContact O-N 3.36Å; M754-V757 PolarHBondContact O-N 2.78Å; M754-H758 WeakPolarHBondContact O-CB 3.31Å; M754-H758 PolarHBondContact O-N 3.45Å
755	E	88	Confident	86.4	Confident	53 Å²	53	75.5 Å²	75.5	25%	0.248	40%	0.398	C	S	.	.	H	α-helix	trans	-60.3	-42.7	172.1	-70.4	170.1	-175.1	0	0	111.6	K316 K751 H758 L759	K316-E755 WeakPolarHBondContact CE-OE2 3.41Å; K316-E755 IonicContact NZ-OE2 2.72Å; K316-E755 PolarHBondContact NZ-OE2 2.78Å; K751-E755 WeakPolarHBondContact CE-OE1 3.36Å; K751-E755 HydrophobicContact CG-CG 4.49Å; K751-E755 WeakPolarHBondContact CG-OE1 3.16Å; K751-E755 IonicContact NZ-OE1 3.17Å; K751-E755 WeakPolarHBondContact O-CG 3.47Å; K751-E755 PolarHBondContact O-N 3.11Å; E755-H758 PolarHBondContact O-N 3.12Å; E755-L759 WeakPolarHBondContact O-CG 3.41Å; E755-L759 PolarHBondContact O-N 3.29Å
756	K	87.6	Confident	86.3	Confident	65 Å²	65	74.6 Å²	74.6	28%	0.283	40%	0.395	S	S	.	.	H	α-helix	trans	-63.6	-41.6	174.7	-176.2	-177.8	171.3	168.9	0	112.1	M313 T317 I320 L752 T753 M754 A760	M313-K756 HydrophobicContact CE-CG 4.02Å; M313-K756 HydrophobicContact SD-CB 4.46Å; M313-K756 HydrophobicContact SD-CG 3.57Å; M313-K756 VanDerWaalsContact SD-CG 3.57Å; M313-K756 VanDerWaalsContact SD-O 3.33Å; T317-K756 WeakPolarHBondContact OG1-CE 3.41Å; T317-K756 PolarHBondContact OG1-NZ 3.38Å; I320-K756 HydrophobicContact CD1-CB 4.07Å; I320-K756 HydrophobicContact CD1-CD 3.83Å; L752-K756 VanDerWaalsContact O-CB 3.32Å; L752-K756 WeakPolarHBondContact O-CB 3.49Å; L752-K756 PolarHBondContact O-N 3.08Å; T753-K756 PolarHBondContact O-N 3.46Å; M754-K756 VanDerWaalsContact C-N 3.35Å; M754-K756 PolarHBondContact O-N 3.36Å; K756-A760 VanDerWaalsContact O-CB 3.27Å; K756-A760 WeakPolarHBondContact O-CB 2.98Å; K756-A760 PolarHBondContact O-N 3Å
757	V	85.9	Confident	86.1	Confident	76 Å²	76	72.9 Å²	72.9	46%	0.461	39%	0.389	S	S	.	.	H	α-helix	trans	-69	-36.9	177.5	168.2	0	0	0	0	110.6	T753 M754 A760 L761	T753-V757 HydrophobicContact CG2-CG2 4.36Å; T753-V757 WeakPolarHBondContact O-CB 3.46Å; T753-V757 VanDerWaalsContact O-CG2 3.31Å; T753-V757 WeakPolarHBondContact O-CG2 3.43Å; T753-V757 PolarHBondContact O-N 3.23Å; M754-V757 PolarHBondContact O-N 2.78Å; V757-A760 PolarHBondContact O-N 2.9Å; V757-L761 HydrophobicContact CG1-CD1 3.89Å; V757-L761 HydrophobicContact CG1-CG 4.34Å; V757-L761 WeakPolarHBondContact O-CB 3.26Å; V757-L761 VanDerWaalsContact O-CG 3.26Å; V757-L761 WeakPolarHBondContact O-CG 3.39Å; V757-L761 PolarHBondContact O-N 2.93Å
758	H	86.4	Confident	85.8	Confident	126 Å²	126	68.3 Å²	68.3	58%	0.583	38%	0.38	S	S	*	.	H	α-helix	trans	-63.8	-49.1	173.7	-171.9	53.7	0	0	0	111.5	M754 E755 A760 L761 E762	M754-H758 WeakPolarHBondContact O-CB 3.31Å; M754-H758 PolarHBondContact O-N 3.45Å; E755-H758 PolarHBondContact O-N 3.12Å; H758-A760 VanDerWaalsContact C-N 3.28Å; H758-A760 PolarHBondContact O-N 3.45Å; H758-L761 CarbonylContact O-C 2.95Å; H758-L761 PolarHBondContact O-N 3.03Å; H758-L761 VanDerWaalsContact O-N 3.12Å; H758-E762 WeakPolarHBondContact O-CB 3.39Å; H758-E762 PolarHBondContact O-N 3.2Å
759	L	86.3	Confident	85.5	Confident	16 Å²	16	68.2 Å²	68.2	8%	0.084	38%	0.377	C	S	.	.	H	α-helix	trans	-60.6	-35	173.1	-74.1	170	0	0	0	112.5	Q312 M313 K316 E755 M763	Q312-L759 HydrophobicContact CB-CD1 4.04Å; M313-L759 HydrophobicContact CG-CB 4.04Å; M313-L759 HydrophobicContact SD-CB 3.69Å; K316-L759 HydrophobicContact CG-CD1 4.38Å; E755-L759 WeakPolarHBondContact O-CG 3.41Å; E755-L759 PolarHBondContact O-N 3.29Å; L759-M763 VanDerWaalsContact O-CB 3.24Å; L759-M763 WeakPolarHBondContact O-CB 3.46Å; L759-M763 VanDerWaalsContact O-CG 3.28Å; L759-M763 WeakPolarHBondContact O-CG 3.38Å; L759-M763 PolarHBondContact O-N 3.08Å
760	A	85.2	Confident	85.1	Confident	38 Å²	38	65.1 Å²	65.1	31%	0.314	37%	0.367	S	S	.	.	H	α-helix	trans	-69.3	-36.4	174.5	0	0	0	0	0	112.6	M313 K756 V757 H758 A764	M313-A760 HydrophobicContact CE-CB 3.7Å; M313-A760 HydrophobicContact SD-CB 4.44Å; K756-A760 VanDerWaalsContact O-CB 3.27Å; K756-A760 WeakPolarHBondContact O-CB 2.98Å; K756-A760 PolarHBondContact O-N 3Å; V757-A760 PolarHBondContact O-N 2.9Å; H758-A760 VanDerWaalsContact C-N 3.28Å; H758-A760 PolarHBondContact O-N 3.45Å; A760-A764 WeakPolarHBondContact O-CB 3.2Å; A760-A764 PolarHBondContact O-N 3.41Å
761	L	83.9	Confident	84.8	Confident	115 Å²	115	66 Å²	66	60%	0.602	36%	0.363	S	S	*	.	H	α-helix	trans	-74.3	-35.6	175.3	-74	169.4	0	0	0	111.8	V757 H758 A764 G765	V757-L761 HydrophobicContact CG1-CD1 3.89Å; V757-L761 HydrophobicContact CG1-CG 4.34Å; V757-L761 WeakPolarHBondContact O-CB 3.26Å; V757-L761 VanDerWaalsContact O-CG 3.26Å; V757-L761 WeakPolarHBondContact O-CG 3.39Å; V757-L761 PolarHBondContact O-N 2.93Å; H758-L761 CarbonylContact O-C 2.95Å; H758-L761 PolarHBondContact O-N 3.03Å; H758-L761 VanDerWaalsContact O-N 3.12Å; L761-A764 PolarHBondContact O-N 3.37Å; L761-G765 WeakPolarHBondContact O-CA 3.39Å; L761-G765 PolarHBondContact O-N 2.99Å
762	E	85.2	Confident	84.4	Confident	78 Å²	78	65.6 Å²	65.6	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-67.5	-47.4	172.2	-172.6	-167.2	157.7	0	0	110.3	N309 H758 A764 G765 L766	N309-E762 PolarHBondContact ND2-OE1 3.22Å; H758-E762 WeakPolarHBondContact O-CB 3.39Å; H758-E762 PolarHBondContact O-N 3.2Å; E762-A764 VanDerWaalsContact C-N 3.34Å; E762-A764 PolarHBondContact O-N 3.49Å; E762-G765 CarbonylContact O-C 3.32Å; E762-G765 PolarHBondContact O-N 2.94Å; E762-L766 HydrophobicContact CG-CD1 4.2Å; E762-L766 WeakPolarHBondContact O-CB 3.45Å; E762-L766 WeakPolarHBondContact O-CG 3.06Å; E762-L766 PolarHBondContact O-N 3.21Å
763	M	82.8	Confident	83.9	Confident	32 Å²	32	65.6 Å²	65.6	16%	0.158	36%	0.361	C	S	.	.	H	α-helix	trans	-61	-41.3	171.7	-79.2	-175.8	68.1	0	0	111.9	L306 N309 E310 M313 L759 G765 T767	L306-M763 HydrophobicContact CD2-CB 4.45Å; L306-M763 HydrophobicContact CD2-CG 4.31Å; N309-M763 HydrophobicContact CB-CG 3.82Å; N309-M763 HydrophobicContact CB-SD 4.1Å; E310-M763 HydrophobicContact CG-CE 3.52Å; E310-M763 HydrophobicContact CG-SD 4.4Å; M313-M763 HydrophobicContact CG-SD 3.82Å; L759-M763 VanDerWaalsContact O-CB 3.24Å; L759-M763 WeakPolarHBondContact O-CB 3.46Å; L759-M763 VanDerWaalsContact O-CG 3.28Å; L759-M763 WeakPolarHBondContact O-CG 3.38Å; L759-M763 PolarHBondContact O-N 3.08Å; M763-G765 VanDerWaalsContact C-N 3.32Å; M763-T767 WeakPolarHBondContact O-CA 3.44Å; M763-T767 WeakPolarHBondContact O-CB 3.39Å; M763-T767 PolarHBondContact O-N 3.48Å; M763-T767 PolarHBondContact O-OG1 2.93Å
764	A	83.5	Confident	83.4	Confident	56 Å²	56	65.8 Å²	65.8	46%	0.463	36%	0.358	S	S	.	.	H	α-helix	trans	-68	-33.8	175.9	0	0	0	0	0	111.8	A760 L761 E762 A768	A760-A764 WeakPolarHBondContact O-CB 3.2Å; A760-A764 PolarHBondContact O-N 3.41Å; L761-A764 PolarHBondContact O-N 3.37Å; E762-A764 VanDerWaalsContact C-N 3.34Å; E762-A764 PolarHBondContact O-N 3.49Å; A764-A768 WeakPolarHBondContact O-CA 3.46Å; A764-A768 WeakPolarHBondContact O-CB 3.46Å; A764-A768 PolarHBondContact O-N 3.1Å
765	G	84.4	Confident	82.7	Confident	39 Å²	39	61.6 Å²	61.6	40%	0.402	34%	0.339	S	S	.	.	H	α-helix	trans	-68.8	-47.1	174.1	0	0	0	0	0	112.3	L761 E762 M763 A768 E769	L761-G765 WeakPolarHBondContact O-CA 3.39Å; L761-G765 PolarHBondContact O-N 2.99Å; E762-G765 CarbonylContact O-C 3.32Å; E762-G765 PolarHBondContact O-N 2.94Å; M763-G765 VanDerWaalsContact C-N 3.32Å; G765-A768 CarbonylContact O-C 3.39Å; G765-A768 PolarHBondContact O-N 3.48Å; G765-E769 WeakPolarHBondContact O-CB 3.16Å; G765-E769 PolarHBondContact O-N 2.71Å
766	L	84.9	Confident	82	Confident	35 Å²	35	61 Å²	61	18%	0.183	34%	0.337	C	S	.	.	H	α-helix	trans	-68.1	-32.9	173.5	-71.5	172.1	0	0	0	112.2	I302 L306 E762 K770	I302-L766 HydrophobicContact CG2-CB 4.18Å; I302-L766 HydrophobicContact CG2-CD2 4.39Å; L306-L766 HydrophobicContact CD2-CB 3.87Å; E762-L766 HydrophobicContact CG-CD1 4.2Å; E762-L766 WeakPolarHBondContact O-CB 3.45Å; E762-L766 WeakPolarHBondContact O-CG 3.06Å; E762-L766 PolarHBondContact O-N 3.21Å; L766-K770 WeakPolarHBondContact O-CA 3.32Å; L766-K770 WeakPolarHBondContact O-CB 3.4Å; L766-K770 PolarHBondContact O-N 3.01Å
767	T	81.9	Confident	81.2	Confident	53 Å²	53	58.6 Å²	58.6	33%	0.325	33%	0.328	S	S	.	.	H	α-helix	trans	-75.4	-30.4	172.4	-55.6	0	0	0	0	110.8	M763 N771	M763-T767 WeakPolarHBondContact O-CA 3.44Å; M763-T767 WeakPolarHBondContact O-CB 3.39Å; M763-T767 PolarHBondContact O-N 3.48Å; M763-T767 PolarHBondContact O-OG1 2.93Å; T767-N771 WeakPolarHBondContact O-CA 3.44Å; T767-N771 WeakPolarHBondContact O-CB 3.34Å; T767-N771 PolarHBondContact O-N 3.28Å; T767-N771 PolarHBondContact O-ND2 2.93Å; T767-N771 PolarHBondContact O-OD1 3.35Å
768	A	80.4	Confident	80.4	Confident	55 Å²	55	61.9 Å²	61.9	46%	0.455	33%	0.332	S	S	.	.	H	α-helix	trans	-75.8	-35.1	171.8	0	0	0	0	0	111.8	A764 G765 K772	A764-A768 WeakPolarHBondContact O-CA 3.46Å; A764-A768 WeakPolarHBondContact O-CB 3.46Å; A764-A768 PolarHBondContact O-N 3.1Å; G765-A768 CarbonylContact O-C 3.39Å; G765-A768 PolarHBondContact O-N 3.48Å; A768-K772 WeakPolarHBondContact O-CA 3.39Å; A768-K772 WeakPolarHBondContact O-CB 3.21Å; A768-K772 PolarHBondContact O-N 3.25Å
769	E	82.5	Confident	79.5	Confident	75 Å²	75	60.9 Å²	60.9	35%	0.35	33%	0.328	S	S	.	.	H	α-helix	trans	-71.9	-37.1	170.4	-169	-176.8	171.7	0	0	110.6	K298 I302 G765 K772 L773	K298-E769 IonicContact NZ-OE1 3.08Å; K298-E769 PolarHBondContact NZ-OE1 3.03Å; I302-E769 HydrophobicContact CD1-CG 4.27Å; G765-E769 WeakPolarHBondContact O-CB 3.16Å; G765-E769 PolarHBondContact O-N 2.71Å; E769-K772 PolarHBondContact O-N 3.06Å; E769-L773 HydrophobicContact CG-CD1 3.89Å; E769-L773 HydrophobicContact CG-CG 4.21Å; E769-L773 VanDerWaalsContact O-CB 3.24Å; E769-L773 WeakPolarHBondContact O-CB 3.45Å; E769-L773 VanDerWaalsContact O-CG 3.27Å; E769-L773 WeakPolarHBondContact O-CG 3.48Å; E769-L773 PolarHBondContact O-N 3.47Å
770	K	81.2	Confident	78.5	Confident	35 Å²	35	62 Å²	62	15%	0.152	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-54.4	169.9	-179.4	176	172.3	176.8	0	110.4	I299 I302 D303 L306 L766 K772 L773 E774	I299-K770 HydrophobicContact CG2-CG 4.45Å; I302-K770 HydrophobicContact CG2-CB 4Å; D303-K770 IonicContact OD1-NZ 2.66Å; D303-K770 PolarHBondContact OD1-NZ 3.05Å; D303-K770 IonicContact OD2-NZ 2.72Å; D303-K770 PolarHBondContact OD2-NZ 2.99Å; L306-K770 HydrophobicContact CD1-CD 4.23Å; L766-K770 WeakPolarHBondContact O-CA 3.32Å; L766-K770 WeakPolarHBondContact O-CB 3.4Å; L766-K770 PolarHBondContact O-N 3.01Å; K770-K772 PolarHBondContact O-N 2.95Å; K770-L773 CarbonylContact O-C 3.59Å; K770-L773 PolarHBondContact O-N 2.91Å; K770-L773 VanDerWaalsContact O-N 3.17Å; K770-E774 WeakPolarHBondContact CE-OE1 3.25Å; K770-E774 HydrophobicContact CG-CG 4.21Å; K770-E774 IonicContact NZ-OE1 2.76Å; K770-E774 VanDerWaalsContact O-CB 3.24Å; K770-E774 WeakPolarHBondContact O-CB 3.25Å; K770-E774 WeakPolarHBondContact O-CG 3.38Å; K770-E774 PolarHBondContact O-N 2.95Å
771	N	78.4	Confident	77.6	Confident	78 Å²	78	61.8 Å²	61.8	42%	0.417	34%	0.336	S	S	.	.	H	α-helix	trans	-61.9	-31.6	178.1	-71	-10.8	0	0	0	111.7	T767 N775	T767-N771 WeakPolarHBondContact O-CA 3.44Å; T767-N771 WeakPolarHBondContact O-CB 3.34Å; T767-N771 PolarHBondContact O-N 3.28Å; T767-N771 PolarHBondContact O-ND2 2.93Å; T767-N771 PolarHBondContact O-OD1 3.35Å; N771-N775 WeakPolarHBondContact O-CB 3.26Å; N771-N775 PolarHBondContact O-N 3.39Å; N771-N775 PolarHBondContact O-ND2 2.99Å; N771-N775 PolarHBondContact O-OD1 2.75Å
772	K	80.3	Confident	76.6	Confident	121 Å²	121	58.8 Å²	58.8	53%	0.526	32%	0.324	S	S	.	.	H	α-helix	trans	-73.2	-46.4	172.5	-172.4	177.1	-173.6	-72.1	0	111	A768 E769 K770 E774 N775 D776	A768-K772 WeakPolarHBondContact O-CA 3.39Å; A768-K772 WeakPolarHBondContact O-CB 3.21Å; A768-K772 PolarHBondContact O-N 3.25Å; E769-K772 PolarHBondContact O-N 3.06Å; K770-K772 PolarHBondContact O-N 2.95Å; K772-E774 VanDerWaalsContact C-N 3.26Å; K772-E774 PolarHBondContact O-N 2.88Å; K772-N775 CarbonylContact O-C 3.41Å; K772-N775 WeakPolarHBondContact O-CA 3.45Å; K772-N775 WeakPolarHBondContact O-CB 3.39Å; K772-N775 PolarHBondContact O-N 3.36Å; K772-N775 VanDerWaalsContact O-N 3.07Å; K772-D776 WeakPolarHBondContact CG-OD1 3.34Å; K772-D776 VanDerWaalsContact NZ-CG 3.33Å; K772-D776 IonicContact NZ-OD1 2.71Å; K772-D776 PolarHBondContact NZ-OD1 3.25Å; K772-D776 VanDerWaalsContact NZ-OD1 3.15Å; K772-D776 IonicContact NZ-OD2 2.7Å; K772-D776 PolarHBondContact NZ-OD2 3.34Å; K772-D776 WeakPolarHBondContact O-CA 3.44Å; K772-D776 VanDerWaalsContact O-CB 3.24Å; K772-D776 WeakPolarHBondContact O-CB 3.29Å; K772-D776 PolarHBondContact O-N 3.48Å
773	L	78.8	Confident	75.6	Confident	22 Å²	22	60.7 Å²	60.7	12%	0.115	33%	0.333	C	S	.	.	H	α-helix	trans	-69.2	-25.7	176.3	-72.2	172	0	0	0	112.1	K298 I299 I302 E769 K770 C777	K298-L773 HydrophobicContact CD-CD1 3.85Å; K298-L773 HydrophobicContact CG-CD1 4.28Å; I299-L773 HydrophobicContact CD1-CB 4.37Å; I299-L773 HydrophobicContact CG1-CB 3.94Å; I302-L773 HydrophobicContact CD1-CD1 3.68Å; E769-L773 HydrophobicContact CG-CD1 3.89Å; E769-L773 HydrophobicContact CG-CG 4.21Å; E769-L773 VanDerWaalsContact O-CB 3.24Å; E769-L773 WeakPolarHBondContact O-CB 3.45Å; E769-L773 VanDerWaalsContact O-CG 3.27Å; E769-L773 WeakPolarHBondContact O-CG 3.48Å; E769-L773 PolarHBondContact O-N 3.47Å; K770-L773 CarbonylContact O-C 3.59Å; K770-L773 PolarHBondContact O-N 2.91Å; K770-L773 VanDerWaalsContact O-N 3.17Å; L773-C777 WeakPolarHBondContact O-CA 3.46Å; L773-C777 WeakPolarHBondContact O-CB 3.48Å; L773-C777 PolarHBondContact O-N 3.08Å; L773-C777 PolarHBondContact O-SG 2.89Å
774	E	76.7	Confident	74.9	Confident	63 Å²	63	60.3 Å²	60.3	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-77.3	-31.1	167.8	-75.8	-173.9	168.4	0	0	111.7	I299 K770 K772 R778	I299-E774 HydrophobicContact CD1-CG 4.01Å; I299-E774 HydrophobicContact CG2-CG 4.32Å; K770-E774 WeakPolarHBondContact CE-OE1 3.25Å; K770-E774 HydrophobicContact CG-CG 4.21Å; K770-E774 IonicContact NZ-OE1 2.76Å; K770-E774 VanDerWaalsContact O-CB 3.24Å; K770-E774 WeakPolarHBondContact O-CB 3.25Å; K770-E774 WeakPolarHBondContact O-CG 3.38Å; K770-E774 PolarHBondContact O-N 2.95Å; K772-E774 VanDerWaalsContact C-N 3.26Å; K772-E774 PolarHBondContact O-N 2.88Å; E774-R778 WeakPolarHBondContact O-CA 3.47Å; E774-R778 WeakPolarHBondContact O-CB 3.45Å; E774-R778 PolarHBondContact O-N 3.44Å
775	N	72.6	Confident	73.8	Confident	62 Å²	62	63.3 Å²	63.3	33%	0.332	33%	0.333	S	S	.	.	H	α-helix	trans	-70.8	-58.1	168.2	-77.9	-7.6	0	0	0	110.1	N771 K772 C777 R778 E779	N771-N775 WeakPolarHBondContact O-CB 3.26Å; N771-N775 PolarHBondContact O-N 3.39Å; N771-N775 PolarHBondContact O-ND2 2.99Å; N771-N775 PolarHBondContact O-OD1 2.75Å; K772-N775 CarbonylContact O-C 3.41Å; K772-N775 WeakPolarHBondContact O-CA 3.45Å; K772-N775 WeakPolarHBondContact O-CB 3.39Å; K772-N775 PolarHBondContact O-N 3.36Å; K772-N775 VanDerWaalsContact O-N 3.07Å; N775-C777 PolarHBondContact O-N 3.45Å; N775-R778 CarbonylContact O-C 3.59Å; N775-R778 VanDerWaalsContact O-C 3.26Å; N775-R778 VanDerWaalsContact O-CA 3.29Å; N775-R778 WeakPolarHBondContact O-CA 3.16Å; N775-R778 WeakPolarHBondContact O-CB 3.29Å; N775-R778 PolarHBondContact O-N 3.03Å; N775-R778 PolarHBondContact OD1-NE 3.1Å; N775-R778 PolarHBondContact OD1-NH2 3.34Å; N775-E779 WeakPolarHBondContact O-CA 3.43Å; N775-E779 WeakPolarHBondContact O-CB 3.35Å; N775-E779 WeakPolarHBondContact O-CG 3.16Å; N775-E779 PolarHBondContact O-N 3.34Å
776	D	73.7	Confident	72.8	Confident	41 Å²	41	63.9 Å²	63.9	22%	0.219	33%	0.329	C	S	.	.	H	α-helix	trans	-52.6	-32	170.2	-58.7	-2.1	0	0	0	112	K772 S780	K772-D776 WeakPolarHBondContact CG-OD1 3.34Å; K772-D776 VanDerWaalsContact NZ-CG 3.33Å; K772-D776 IonicContact NZ-OD1 2.71Å; K772-D776 PolarHBondContact NZ-OD1 3.25Å; K772-D776 VanDerWaalsContact NZ-OD1 3.15Å; K772-D776 IonicContact NZ-OD2 2.7Å; K772-D776 PolarHBondContact NZ-OD2 3.34Å; K772-D776 WeakPolarHBondContact O-CA 3.44Å; K772-D776 VanDerWaalsContact O-CB 3.24Å; K772-D776 WeakPolarHBondContact O-CB 3.29Å; K772-D776 PolarHBondContact O-N 3.48Å; D776-S780 WeakPolarHBondContact O-CA 3.41Å; D776-S780 WeakPolarHBondContact O-CB 3.44Å; D776-S780 PolarHBondContact O-N 2.66Å; D776-S780 PolarHBondContact O-OG 2.93Å
777	C	70.6	Confident	71.9	Confident	14 Å²	14	64.6 Å²	64.6	10%	0.095	33%	0.332	C	S	.	.	H	α-helix	trans	-80.1	-31.4	169.3	-79.3	0	0	0	0	112.8	M295 I299 L773 N775 E779 A781	M295-C777 WeakPolarHBondContact CB-SG 3.41Å; I299-C777 HydrophobicContact CD1-CB 4.14Å; L773-C777 WeakPolarHBondContact O-CA 3.46Å; L773-C777 WeakPolarHBondContact O-CB 3.48Å; L773-C777 PolarHBondContact O-N 3.08Å; L773-C777 PolarHBondContact O-SG 2.89Å; N775-C777 PolarHBondContact O-N 3.45Å; C777-E779 VanDerWaalsContact C-N 3.33Å; C777-A781 VanDerWaalsContact O-CA 3.29Å; C777-A781 WeakPolarHBondContact O-CA 3.15Å; C777-A781 WeakPolarHBondContact O-CB 3.49Å; C777-A781 PolarHBondContact O-N 2.97Å
778	R	68.5	Low	70.9	Confident	145 Å²	145	65.9 Å²	65.9	55%	0.547	33%	0.334	S	S	.	.	H	α-helix	trans	-76.9	-18.9	172.9	167	166	43	-142.9	-12.9	112.5	E774 N775 A781 S782	E774-R778 WeakPolarHBondContact O-CA 3.47Å; E774-R778 WeakPolarHBondContact O-CB 3.45Å; E774-R778 PolarHBondContact O-N 3.44Å; N775-R778 CarbonylContact O-C 3.59Å; N775-R778 VanDerWaalsContact O-C 3.26Å; N775-R778 VanDerWaalsContact O-CA 3.29Å; N775-R778 WeakPolarHBondContact O-CA 3.16Å; N775-R778 WeakPolarHBondContact O-CB 3.29Å; N775-R778 PolarHBondContact O-N 3.03Å; N775-R778 PolarHBondContact OD1-NE 3.1Å; N775-R778 PolarHBondContact OD1-NH2 3.34Å; R778-A781 CarbonylContact O-C 3.53Å; R778-S782 WeakPolarHBondContact O-CA 3.34Å; R778-S782 WeakPolarHBondContact O-CB 3.34Å; R778-S782 PolarHBondContact O-N 3.49Å
779	E	68.5	Low	69.7	Low	105 Å²	105	66.5 Å²	66.5	49%	0.491	33%	0.328	S	S	.	.	H	α-helix	trans	-103.8	-39.8	-178.4	-75.6	177.4	-150.9	0	0	110.1	N775 C777 A781 S782 E783	N775-E779 WeakPolarHBondContact O-CA 3.43Å; N775-E779 WeakPolarHBondContact O-CB 3.35Å; N775-E779 WeakPolarHBondContact O-CG 3.16Å; N775-E779 PolarHBondContact O-N 3.34Å; C777-E779 VanDerWaalsContact C-N 3.33Å; E779-A781 VanDerWaalsContact C-N 3.26Å; E779-S782 VanDerWaalsContact C-N 3.34Å; E779-S782 WeakPolarHBondContact CA-OG 3.29Å; E779-S782 CarbonylContact O-C 3.57Å; E779-S782 WeakPolarHBondContact O-CA 3.36Å; E779-S782 PolarHBondContact O-N 3.15Å; E779-S782 PolarHBondContact O-OG 3.05Å; E779-S782 VanDerWaalsContact O-OG 3.13Å; E779-E783 WeakPolarHBondContact O-CA 3.22Å; E779-E783 VanDerWaalsContact O-CB 3.23Å; E779-E783 WeakPolarHBondContact O-CB 3.37Å; E779-E783 WeakPolarHBondContact O-CG 3.41Å; E779-E783 PolarHBondContact O-N 2.9Å
780	S	64.8	Low	68.8	Low	41 Å²	41	69.9 Å²	69.9	29%	0.287	34%	0.337	S	S	.	.	H	α-helix	trans	-69	-28.3	160.4	-56.8	0	0	0	0	110.5	D776 F784	D776-S780 WeakPolarHBondContact O-CA 3.41Å; D776-S780 WeakPolarHBondContact O-CB 3.44Å; D776-S780 PolarHBondContact O-N 2.66Å; D776-S780 PolarHBondContact O-OG 2.93Å; S780-F784 WeakPolarHBondContact O-CA 3.43Å; S780-F784 WeakPolarHBondContact O-CB 3.45Å; S780-F784 PolarHBondContact O-N 3.4Å
781	A	65.8	Low	67.8	Low	33 Å²	33	68.5 Å²	68.5	27%	0.273	33%	0.332	S	S	.	.	H	α-helix	trans	-76.7	-27	162	0	0	0	0	0	112	C777 R778 E779 E783 K785	C777-A781 VanDerWaalsContact O-CA 3.29Å; C777-A781 WeakPolarHBondContact O-CA 3.15Å; C777-A781 WeakPolarHBondContact O-CB 3.49Å; C777-A781 PolarHBondContact O-N 2.97Å; R778-A781 CarbonylContact O-C 3.53Å; E779-A781 VanDerWaalsContact C-N 3.26Å; A781-E783 VanDerWaalsContact C-N 3.34Å; A781-K785 WeakPolarHBondContact O-CA 3.35Å; A781-K785 WeakPolarHBondContact O-CB 3.33Å; A781-K785 PolarHBondContact O-N 2.8Å
782	S	62.9	Low	66.7	Low	52 Å²	52	66.7 Å²	66.7	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-76	-26.4	174.3	88.6	0	0	0	0	111.1	R778 E779 K785 T786	R778-S782 WeakPolarHBondContact O-CA 3.34Å; R778-S782 WeakPolarHBondContact O-CB 3.34Å; R778-S782 PolarHBondContact O-N 3.49Å; E779-S782 VanDerWaalsContact C-N 3.34Å; E779-S782 WeakPolarHBondContact CA-OG 3.29Å; E779-S782 CarbonylContact O-C 3.57Å; E779-S782 WeakPolarHBondContact O-CA 3.36Å; E779-S782 PolarHBondContact O-N 3.15Å; E779-S782 PolarHBondContact O-OG 3.05Å; E779-S782 VanDerWaalsContact O-OG 3.13Å; S782-K785 CarbonylContact O-C 3.58Å; S782-T786 VanDerWaalsContact O-CA 3.23Å; S782-T786 WeakPolarHBondContact O-CA 3.49Å; S782-T786 WeakPolarHBondContact O-CB 3.46Å; S782-T786 PolarHBondContact O-N 2.8Å; S782-T786 PolarHBondContact O-OG1 3.08Å
783	E	65.4	Low	65.7	Low	118 Å²	118	65.9 Å²	65.9	55%	0.551	32%	0.319	S	S	*	.	H	α-helix	trans	-88.5	-42.6	177.3	-78.3	-164.9	161.1	0	0	110.8	E779 A781 K785 T786 M787	E779-E783 WeakPolarHBondContact O-CA 3.22Å; E779-E783 VanDerWaalsContact O-CB 3.23Å; E779-E783 WeakPolarHBondContact O-CB 3.37Å; E779-E783 WeakPolarHBondContact O-CG 3.41Å; E779-E783 PolarHBondContact O-N 2.9Å; A781-E783 VanDerWaalsContact C-N 3.34Å; E783-K785 PolarHBondContact O-N 3.39Å; E783-T786 CarbonylContact O-C 3.54Å; E783-T786 PolarHBondContact O-N 2.86Å; E783-T786 VanDerWaalsContact O-N 3.1Å; E783-M787 WeakPolarHBondContact O-CA 3.22Å; E783-M787 WeakPolarHBondContact O-CB 3.29Å; E783-M787 PolarHBondContact O-N 3.45Å
784	F	66.3	Low	64.7	Low	24 Å²	24	66.1 Å²	66.1	11%	0.105	32%	0.321	C	S	.	.	H	α-helix	trans	-52.9	-49.4	162	-178.8	-91.2	0	0	0	108.4	L285 L288 R289 S780 T786 E788	L285-F784 HydrophobicContact CD2-CE2 3.72Å; L285-F784 HydrophobicContact CD2-CZ 3.62Å; L288-F784 HydrophobicContact CB-CD2 3.78Å; R289-F784 HydrophobicContact CB-CD2 4.43Å; R289-F784 HydrophobicContact CB-CE2 3.65Å; R289-F784 HydrophobicContact CB-CZ 4.34Å; R289-F784 HydrophobicContact CG-CE2 3.91Å; R289-F784 HydrophobicContact CG-CZ 4.14Å; S780-F784 WeakPolarHBondContact O-CA 3.43Å; S780-F784 WeakPolarHBondContact O-CB 3.45Å; S780-F784 PolarHBondContact O-N 3.4Å; F784-T786 PolarHBondContact O-N 2.75Å; F784-E788 WeakPolarHBondContact O-CA 3.44Å; F784-E788 WeakPolarHBondContact O-CB 3.26Å; F784-E788 PolarHBondContact O-N 2.79Å
785	K	60.6	Low	63.9	Low	118 Å²	118	65.3 Å²	65.3	51%	0.513	32%	0.317	S	S	.	.	H	α-helix	trans	-74.3	-15.7	175.8	-165.2	177.5	-173	177	0	114.2	A781 S782 E783 Q789	A781-K785 WeakPolarHBondContact O-CA 3.35Å; A781-K785 WeakPolarHBondContact O-CB 3.33Å; A781-K785 PolarHBondContact O-N 2.8Å; S782-K785 CarbonylContact O-C 3.58Å; E783-K785 PolarHBondContact O-N 3.39Å; K785-Q789 HydrophobicContact CG-CG 4.5Å; K785-Q789 WeakPolarHBondContact O-CA 3.31Å; K785-Q789 WeakPolarHBondContact O-CB 3.43Å; K785-Q789 VanDerWaalsContact O-CD 3.23Å; K785-Q789 WeakPolarHBondContact O-CG 3.33Å; K785-Q789 PolarHBondContact O-N 3.44Å
786	T	64.5	Low	62.9	Low	51 Å²	51	66 Å²	66	31%	0.313	32%	0.318	S	S	.	.	H	α-helix	trans	-96.5	-24.5	178.6	-73.9	0	0	0	0	111	S782 E783 F784 Q789 R790	S782-T786 VanDerWaalsContact O-CA 3.23Å; S782-T786 WeakPolarHBondContact O-CA 3.49Å; S782-T786 WeakPolarHBondContact O-CB 3.46Å; S782-T786 PolarHBondContact O-N 2.8Å; S782-T786 PolarHBondContact O-OG1 3.08Å; E783-T786 CarbonylContact O-C 3.54Å; E783-T786 PolarHBondContact O-N 2.86Å; E783-T786 VanDerWaalsContact O-N 3.1Å; F784-T786 PolarHBondContact O-N 2.75Å; T786-Q789 CarbonylContact O-C 3.59Å; T786-R790 WeakPolarHBondContact O-CA 3.48Å; T786-R790 WeakPolarHBondContact O-CB 3.4Å; T786-R790 PolarHBondContact O-N 2.91Å
787	M	64.6	Low	62	Low	50 Å²	50	68 Å²	68	25%	0.246	32%	0.322	C	S	.	.	H	α-helix	trans	-89.2	-32.8	170	-147.9	57.8	48.8	0	0	110.7	H284 L288 E783 R790 C791	H284-M787 HydrophobicContact CB-CG 4.31Å; L288-M787 HydrophobicContact CD1-CB 3.77Å; L288-M787 HydrophobicContact CD1-CG 4.1Å; E783-M787 WeakPolarHBondContact O-CA 3.22Å; E783-M787 WeakPolarHBondContact O-CB 3.29Å; E783-M787 PolarHBondContact O-N 3.45Å; M787-R790 VanDerWaalsContact C-N 3.32Å; M787-R790 CarbonylContact O-C 3.58Å; M787-R790 WeakPolarHBondContact O-CA 3.01Å; M787-R790 PolarHBondContact O-N 2.97Å; M787-R790 HydrophobicContact SD-CB 3.78Å; M787-R790 HydrophobicContact SD-CG 4.26Å; M787-C791 WeakPolarHBondContact O-CB 3.33Å; M787-C791 PolarHBondContact O-N 3.5Å
788	E	61.3	Low	61.4	Low	80 Å²	80	69.6 Å²	69.6	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-62.4	-47.9	157.9	-179.1	178.6	-113.4	0	0	109.4	L285 F784 R790 S792	L285-E788 HydrophobicContact CD1-CB 4.09Å; L285-E788 HydrophobicContact CD1-CG 4.19Å; L285-E788 HydrophobicContact CD2-CB 4.26Å; L285-E788 HydrophobicContact CG-CB 4.07Å; F784-E788 WeakPolarHBondContact O-CA 3.44Å; F784-E788 WeakPolarHBondContact O-CB 3.26Å; F784-E788 PolarHBondContact O-N 2.79Å; E788-R790 PolarHBondContact O-N 2.67Å; E788-S792 WeakPolarHBondContact O-CA 3.42Å; E788-S792 WeakPolarHBondContact O-CB 3.27Å; E788-S792 PolarHBondContact O-N 3.03Å
789	Q	56.6	Low	60.7	Low	69 Å²	69	64.8 Å²	64.8	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-76.5	22.3	162.5	-62.1	162.2	13	0	0	113.3	K785 T786 R793	K785-Q789 HydrophobicContact CG-CG 4.5Å; K785-Q789 WeakPolarHBondContact O-CA 3.31Å; K785-Q789 WeakPolarHBondContact O-CB 3.43Å; K785-Q789 VanDerWaalsContact O-CD 3.23Å; K785-Q789 WeakPolarHBondContact O-CG 3.33Å; K785-Q789 PolarHBondContact O-N 3.44Å; T786-Q789 CarbonylContact O-C 3.59Å; Q789-R793 WeakPolarHBondContact O-CA 3.27Å; Q789-R793 WeakPolarHBondContact O-CB 3.23Å; Q789-R793 WeakPolarHBondContact O-CD 3.44Å; Q789-R793 WeakPolarHBondContact O-CG 3.23Å; Q789-R793 PolarHBondContact O-N 2.96Å; Q789-R793 PolarHBondContact O-NE 2.9Å
790	R	63.8	Low	59.7	Low	145 Å²	145	63 Å²	63	55%	0.547	31%	0.306	S	S	.	.	H	α-helix	trans	-115.2	-49.5	165.6	-170	177.4	175.6	-172.5	-4.2	109.5	T786 M787 E788 S792 R793 L794	T786-R790 WeakPolarHBondContact O-CA 3.48Å; T786-R790 WeakPolarHBondContact O-CB 3.4Å; T786-R790 PolarHBondContact O-N 2.91Å; M787-R790 VanDerWaalsContact C-N 3.32Å; M787-R790 CarbonylContact O-C 3.58Å; M787-R790 WeakPolarHBondContact O-CA 3.01Å; M787-R790 PolarHBondContact O-N 2.97Å; M787-R790 HydrophobicContact SD-CB 3.78Å; M787-R790 HydrophobicContact SD-CG 4.26Å; E788-R790 PolarHBondContact O-N 2.67Å; R790-S792 PolarHBondContact O-N 3.06Å; R790-R793 CarbonylContact O-C 3.5Å; R790-R793 PolarHBondContact O-N 2.94Å; R790-L794 HydrophobicContact CG-CD1 4.19Å; R790-L794 WeakPolarHBondContact O-CB 3.47Å; R790-L794 WeakPolarHBondContact O-CG 3.38Å; R790-L794 PolarHBondContact O-N 2.88Å
791	C	59.5	Low	59.1	Low	7 Å²	7	61 Å²	61	5%	0.047	29%	0.292	C	S	.	.	H	α-helix	trans	-51.2	-41.8	156.8	-177	0	0	0	0	110.6	A281 K282 L285 M787 E795	A281-C791 HydrophobicContact CB-CB 3.96Å; K282-C791 WeakPolarHBondContact CA-SG 3.14Å; K282-C791 VanDerWaalsContact CB-SG 3.52Å; K282-C791 VanDerWaalsContact CG-SG 3.57Å; L285-C791 HydrophobicContact CD1-CB 3.92Å; M787-C791 WeakPolarHBondContact O-CB 3.33Å; M787-C791 PolarHBondContact O-N 3.5Å; C791-E795 VanDerWaalsContact O-CB 3.27Å; C791-E795 WeakPolarHBondContact O-CB 3.3Å; C791-E795 PolarHBondContact O-N 3.5Å
792	S	55.7	Low	58.4	Low	39 Å²	39	61.6 Å²	61.6	27%	0.273	29%	0.292	S	S	.	.	H	α-helix	trans	-93.6	1.3	174.7	-152.5	0	0	0	0	114.3	E788 R790 Q796	E788-S792 WeakPolarHBondContact O-CA 3.42Å; E788-S792 WeakPolarHBondContact O-CB 3.27Å; E788-S792 PolarHBondContact O-N 3.03Å; R790-S792 PolarHBondContact O-N 3.06Å; S792-Q796 VanDerWaalsContact O-CA 3.29Å; S792-Q796 WeakPolarHBondContact O-CA 3.21Å; S792-Q796 WeakPolarHBondContact O-CB 3.15Å; S792-Q796 WeakPolarHBondContact O-CG 3.24Å; S792-Q796 PolarHBondContact O-N 3.27Å; S792-Q796 PolarHBondContact O-OE1 2.73Å
793	R	58.7	Low	57.7	Low	105 Å²	105	61.6 Å²	61.6	40%	0.396	29%	0.287	S	S	.	.	H	α-helix	trans	-92.4	-12.8	154.2	-93.3	174.5	-102	-173.1	-13.5	112.6	Q789 R790 Q796 R797	Q789-R793 WeakPolarHBondContact O-CA 3.27Å; Q789-R793 WeakPolarHBondContact O-CB 3.23Å; Q789-R793 WeakPolarHBondContact O-CD 3.44Å; Q789-R793 WeakPolarHBondContact O-CG 3.23Å; Q789-R793 PolarHBondContact O-N 2.96Å; Q789-R793 PolarHBondContact O-NE 2.9Å; R790-R793 CarbonylContact O-C 3.5Å; R790-R793 PolarHBondContact O-N 2.94Å; R793-Q796 VanDerWaalsContact C-C 3.46Å; R793-Q796 CarbonylContact O-C 3.42Å; R793-R797 WeakPolarHBondContact O-CA 3.31Å; R793-R797 WeakPolarHBondContact O-CB 3.41Å; R793-R797 PolarHBondContact O-N 3.29Å
794	L	58.5	Low	57	Low	27 Å²	27	57.6 Å²	57.6	14%	0.141	27%	0.268	C	S	.	.	H	α-helix	trans	-93.7	-39	172.4	-61.2	169.2	0	0	0	108.2	V274 E277 R278 A281 R790 R797 K798	V274-L794 HydrophobicContact CG1-CD2 4.16Å; E277-L794 HydrophobicContact CB-CB 4.5Å; E277-L794 HydrophobicContact CB-CD1 4.16Å; E277-L794 HydrophobicContact CB-CD2 3.9Å; E277-L794 HydrophobicContact CB-CG 4.39Å; E277-L794 WeakPolarHBondContact O-CD1 3.35Å; E277-L794 VanDerWaalsContact OE2-CD2 3.3Å; E277-L794 WeakPolarHBondContact OE2-CD2 3.47Å; R278-L794 HydrophobicContact CB-CB 4.27Å; A281-L794 HydrophobicContact CB-CD1 4.11Å; R790-L794 HydrophobicContact CG-CD1 4.19Å; R790-L794 WeakPolarHBondContact O-CB 3.47Å; R790-L794 WeakPolarHBondContact O-CG 3.38Å; R790-L794 PolarHBondContact O-N 2.88Å; L794-R797 PolarHBondContact O-N 3.38Å; L794-R797 VanDerWaalsContact O-N 3.12Å; L794-K798 WeakPolarHBondContact O-CB 3.45Å; L794-K798 PolarHBondContact O-N 2.89Å
795	E	59.8	Low	56.1	Low	45 Å²	45	57.2 Å²	57.2	21%	0.21	27%	0.268	C	S	.	.	H	α-helix	trans	-57.5	-52.2	156.5	-163.3	88.8	-105.2	0	0	110.6	R278 C791 R797 K798 V799	R278-E795 HydrophobicContact CG-CB 4.11Å; R278-E795 IonicContact CZ-OE1 3.93Å; R278-E795 IonicContact CZ-OE2 3.58Å; R278-E795 IonicContact NE-OE1 3.6Å; R278-E795 PolarHBondContact NE-OE1 3.13Å; R278-E795 IonicContact NE-OE2 3.78Å; R278-E795 PolarHBondContact NE-OE2 3.31Å; R278-E795 IonicContact NH1-OE1 3.99Å; R278-E795 VanDerWaalsContact NH2-CD 3.28Å; R278-E795 IonicContact NH2-OE1 3.06Å; R278-E795 PolarHBondContact NH2-OE1 3.12Å; R278-E795 VanDerWaalsContact NH2-OE1 3.13Å; R278-E795 IonicContact NH2-OE2 2.74Å; R278-E795 PolarHBondContact NH2-OE2 2.94Å; C791-E795 VanDerWaalsContact O-CB 3.27Å; C791-E795 WeakPolarHBondContact O-CB 3.3Å; C791-E795 PolarHBondContact O-N 3.5Å; E795-R797 PolarHBondContact O-N 3.01Å; E795-K798 WeakPolarHBondContact O-CB 3.12Å; E795-K798 WeakPolarHBondContact OE1-CE 3.25Å; E795-K798 IonicContact OE1-NZ 3.24Å; E795-K798 PolarHBondContact OE1-NZ 3.03Å; E795-V799 VanDerWaalsContact O-CA 3.3Å; E795-V799 WeakPolarHBondContact O-CA 3.36Å; E795-V799 WeakPolarHBondContact O-CB 3.39Å; E795-V799 VanDerWaalsContact O-CG2 3.23Å; E795-V799 WeakPolarHBondContact O-CG2 3.35Å; E795-V799 PolarHBondContact O-N 3.35Å
796	Q	50.6	Low	55.6	Low	76 Å²	76	57.6 Å²	57.6	36%	0.355	27%	0.27	S	S	.	.	H	α-helix	trans	-85.5	50	166.3	-48.6	161.5	-0.9	0	0	112.2	S792 R793 Q800	S792-Q796 VanDerWaalsContact O-CA 3.29Å; S792-Q796 WeakPolarHBondContact O-CA 3.21Å; S792-Q796 WeakPolarHBondContact O-CB 3.15Å; S792-Q796 WeakPolarHBondContact O-CG 3.24Å; S792-Q796 PolarHBondContact O-N 3.27Å; S792-Q796 PolarHBondContact O-OE1 2.73Å; R793-Q796 VanDerWaalsContact C-C 3.46Å; R793-Q796 CarbonylContact O-C 3.42Å; Q796-Q800 HydrophobicContact CB-CG 3.99Å; Q796-Q800 WeakPolarHBondContact O-CB 3.28Å; Q796-Q800 WeakPolarHBondContact O-CG 3.3Å; Q796-Q800 PolarHBondContact O-N 3.43Å; Q796-Q800 PolarHBondContact O-NE2 3.24Å; Q796-Q800 PolarHBondContact O-OE1 3.31Å
797	R	54.7	Low	54.8	Low	84 Å²	84	55.7 Å²	55.7	32%	0.317	26%	0.26	S	S	.	.	H	α-helix	trans	-141.4	-33.2	151.9	-173.9	75.8	179.8	-155.2	6.3	110.7	E270 V274 R793 L794 E795 V799 Q800 L801	E270-R797 IonicContact OE2-CZ 3.13Å; E270-R797 IonicContact OE2-NH2 3.04Å; E270-R797 PolarHBondContact OE2-NH2 3.16Å; V274-R797 HydrophobicContact CB-CB 4.18Å; V274-R797 HydrophobicContact CB-CG 3.79Å; V274-R797 HydrophobicContact CG1-CB 3.61Å; V274-R797 HydrophobicContact CG1-CG 3.56Å; V274-R797 HydrophobicContact CG2-CG 3.79Å; R793-R797 WeakPolarHBondContact O-CA 3.31Å; R793-R797 WeakPolarHBondContact O-CB 3.41Å; R793-R797 PolarHBondContact O-N 3.29Å; L794-R797 PolarHBondContact O-N 3.38Å; L794-R797 VanDerWaalsContact O-N 3.12Å; E795-R797 PolarHBondContact O-N 3.01Å; R797-V799 PolarHBondContact O-N 3.22Å; R797-Q800 CarbonylContact O-C 3.58Å; R797-L801 HydrophobicContact CG-CD1 3.86Å; R797-L801 HydrophobicContact CG-CG 4.15Å; R797-L801 WeakPolarHBondContact O-CA 3.46Å; R797-L801 WeakPolarHBondContact O-CB 3.32Å; R797-L801 VanDerWaalsContact O-CD1 3.24Å; R797-L801 WeakPolarHBondContact O-CD1 3.26Å; R797-L801 WeakPolarHBondContact O-CG 3.43Å; R797-L801 PolarHBondContact O-N 2.91Å
798	K	57.5	Low	54.3	Low	48 Å²	48	53.8 Å²	53.8	21%	0.209	25%	0.251	C	S	.	.	H	α-helix	trans	-43.1	-51.4	139.6	168.5	178.9	172.3	-163.6	0	110.9	L271 V274 K275 R278 L794 E795 T802	L271-K798 VanDerWaalsContact CD1-O 3.29Å; L271-K798 WeakPolarHBondContact CD1-O 3.19Å; V274-K798 WeakPolarHBondContact O-CB 3.45Å; V274-K798 PolarHBondContact O-N 2.88Å; K275-K798 HydrophobicContact CG-CB 4.27Å; K275-K798 HydrophobicContact CG-CD 4.26Å; K275-K798 HydrophobicContact CG-CG 3.8Å; R278-K798 HydrophobicContact CG-CD 4.39Å; L794-K798 WeakPolarHBondContact O-CB 3.45Å; L794-K798 PolarHBondContact O-N 2.89Å; E795-K798 WeakPolarHBondContact O-CB 3.12Å; E795-K798 WeakPolarHBondContact OE1-CE 3.25Å; E795-K798 IonicContact OE1-NZ 3.24Å; E795-K798 PolarHBondContact OE1-NZ 3.03Å; K798-T802 PolarHBondContact O-N 2.88Å; K798-T802 VanDerWaalsContact O-N 3.13Å; K798-T802 PolarHBondContact O-OG1 2.97Å
799	V	54.6	Low	53.8	Low	43 Å²	43	52.3 Å²	52.3	26%	0.261	25%	0.245	S	C	.	.	H	α-helix	trans	-89.1	-35.8	176.6	-177.2	0	0	0	0	113	E795 R797 L801 T802 E803	E795-V799 VanDerWaalsContact O-CA 3.3Å; E795-V799 WeakPolarHBondContact O-CA 3.36Å; E795-V799 WeakPolarHBondContact O-CB 3.39Å; E795-V799 VanDerWaalsContact O-CG2 3.23Å; E795-V799 WeakPolarHBondContact O-CG2 3.35Å; E795-V799 PolarHBondContact O-N 3.35Å; R797-V799 PolarHBondContact O-N 3.22Å; V799-L801 PolarHBondContact O-N 3.06Å; V799-T802 CarbonylContact O-C 3.59Å; V799-T802 VanDerWaalsContact O-C 3.22Å; V799-T802 WeakPolarHBondContact O-CA 3.43Å; V799-T802 WeakPolarHBondContact O-CB 3.45Å; V799-T802 PolarHBondContact O-N 2.81Å; V799-T802 VanDerWaalsContact O-N 3.11Å; V799-E803 HydrophobicContact CG1-CB 4.35Å; V799-E803 WeakPolarHBondContact O-CA 3.33Å; V799-E803 WeakPolarHBondContact O-CB 3.11Å; V799-E803 PolarHBondContact O-N 3.25Å
800	Q	47.9	Very low	53.4	Low	67 Å²	67	54.2 Å²	54.2	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-70.6	5.6	166.6	-77.7	166.2	22.7	0	0	113.8	Q796 R797 E803 Q804	Q796-Q800 HydrophobicContact CB-CG 3.99Å; Q796-Q800 WeakPolarHBondContact O-CB 3.28Å; Q796-Q800 WeakPolarHBondContact O-CG 3.3Å; Q796-Q800 PolarHBondContact O-N 3.43Å; Q796-Q800 PolarHBondContact O-NE2 3.24Å; Q796-Q800 PolarHBondContact O-OE1 3.31Å; R797-Q800 CarbonylContact O-C 3.58Å; Q800-E803 VanDerWaalsContact C-C 3.45Å; Q800-E803 CarbonylContact O-C 3.59Å; Q800-Q804 WeakPolarHBondContact O-CA 3.39Å; Q800-Q804 WeakPolarHBondContact O-CB 3.39Å; Q800-Q804 WeakPolarHBondContact O-CG 3.37Å; Q800-Q804 PolarHBondContact O-N 3.28Å; Q800-Q804 PolarHBondContact O-OE1 3.23Å; Q800-Q804 VanDerWaalsContact O-OE1 3.13Å
801	L	51.7	Low	52.7	Low	1 Å²	1	53.8 Å²	53.8	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-108.2	-33.1	161.8	-62.4	158.2	0	0	0	111.5	E270 L271 V274 R797 V799 E803 Q804 C805	E270-L801 HydrophobicContact CB-CD2 3.82Å; E270-L801 HydrophobicContact CG-CD2 3.7Å; E270-L801 WeakPolarHBondContact O-CD1 3.29Å; E270-L801 WeakPolarHBondContact OE2-CD2 3.2Å; L271-L801 HydrophobicContact CB-CB 3.67Å; L271-L801 HydrophobicContact CD1-CB 3.92Å; L271-L801 HydrophobicContact CG-CB 4.36Å; V274-L801 HydrophobicContact CB-CD1 3.93Å; V274-L801 HydrophobicContact CG2-CD1 3.52Å; R797-L801 HydrophobicContact CG-CD1 3.86Å; R797-L801 HydrophobicContact CG-CG 4.15Å; R797-L801 WeakPolarHBondContact O-CA 3.46Å; R797-L801 WeakPolarHBondContact O-CB 3.32Å; R797-L801 VanDerWaalsContact O-CD1 3.24Å; R797-L801 WeakPolarHBondContact O-CD1 3.26Å; R797-L801 WeakPolarHBondContact O-CG 3.43Å; R797-L801 PolarHBondContact O-N 2.91Å; V799-L801 PolarHBondContact O-N 3.06Å; L801-E803 PolarHBondContact O-N 2.94Å; L801-E803 VanDerWaalsContact O-N 3.08Å; L801-Q804 HydrophobicContact CD2-CB 4.25Å; L801-Q804 VanDerWaalsContact CD2-CD 3.48Å; L801-Q804 HydrophobicContact CD2-CG 4.42Å; L801-Q804 VanDerWaalsContact CD2-OE1 3.25Å; L801-Q804 PolarHBondContact O-N 3.45Å; L801-C805 PolarHBondContact O-N 3.36Å; L801-C805 PolarHBondContact O-SG 2.93Å
802	T	51.4	Low	52.3	Low	45 Å²	45	53.5 Å²	53.5	28%	0.276	25%	0.249	S	C	.	.	H	α-helix	trans	-59.5	-16.6	156.9	-45.1	0	0	0	0	111.3	L271 K798 V799 C805 K806	L271-T802 WeakPolarHBondContact CD1-OG1 3.37Å; K798-T802 PolarHBondContact O-N 2.88Å; K798-T802 VanDerWaalsContact O-N 3.13Å; K798-T802 PolarHBondContact O-OG1 2.97Å; V799-T802 CarbonylContact O-C 3.59Å; V799-T802 VanDerWaalsContact O-C 3.22Å; V799-T802 WeakPolarHBondContact O-CA 3.43Å; V799-T802 WeakPolarHBondContact O-CB 3.45Å; V799-T802 PolarHBondContact O-N 2.81Å; V799-T802 VanDerWaalsContact O-N 3.11Å; T802-C805 WeakPolarHBondContact O-CB 3.46Å; T802-K806 HydrophobicContact CG2-CD 4.48Å; T802-K806 WeakPolarHBondContact O-CB 3.28Å; T802-K806 WeakPolarHBondContact O-CG 3.27Å; T802-K806 PolarHBondContact O-N 3.32Å
803	E	48.4	Very low	52	Low	52 Å²	52	53.6 Å²	53.6	24%	0.243	24%	0.244	C	C	.	.	H	α-helix	trans	-137.7	27.6	-174.9	-160.8	165.8	-159.5	0	0	109.6	V799 Q800 L801 K806 G807 K810	V799-E803 HydrophobicContact CG1-CB 4.35Å; V799-E803 WeakPolarHBondContact O-CA 3.33Å; V799-E803 WeakPolarHBondContact O-CB 3.11Å; V799-E803 PolarHBondContact O-N 3.25Å; Q800-E803 VanDerWaalsContact C-C 3.45Å; Q800-E803 CarbonylContact O-C 3.59Å; L801-E803 PolarHBondContact O-N 2.94Å; L801-E803 VanDerWaalsContact O-N 3.08Å; E803-K806 HydrophobicContact CB-CB 3.96Å; E803-K806 HydrophobicContact CG-CB 3.84Å; E803-G807 VanDerWaalsContact CA-N 3.3Å; E803-G807 WeakPolarHBondContact O-CA 3.46Å; E803-G807 PolarHBondContact O-N 3.31Å; E803-K810 IonicContact OE1-NZ 2.6Å; E803-K810 PolarHBondContact OE1-NZ 2.75Å
804	Q	49.8	Very low	51.5	Low	33 Å²	33	52.1 Å²	52.1	15%	0.154	25%	0.25	C	C	.	.	H	α-helix	trans	-100.7	-28.6	135.8	-91.9	160	-111.3	0	0	107	A267 E270 Q800 L801 L808	A267-Q804 HydrophobicContact CB-CB 4.04Å; E270-Q804 PolarHBondContact OE2-NE2 3.44Å; Q800-Q804 WeakPolarHBondContact O-CA 3.39Å; Q800-Q804 WeakPolarHBondContact O-CB 3.39Å; Q800-Q804 WeakPolarHBondContact O-CG 3.37Å; Q800-Q804 PolarHBondContact O-N 3.28Å; Q800-Q804 PolarHBondContact O-OE1 3.23Å; Q800-Q804 VanDerWaalsContact O-OE1 3.13Å; L801-Q804 HydrophobicContact CD2-CB 4.25Å; L801-Q804 VanDerWaalsContact CD2-CD 3.48Å; L801-Q804 HydrophobicContact CD2-CG 4.42Å; L801-Q804 VanDerWaalsContact CD2-OE1 3.25Å; L801-Q804 PolarHBondContact O-N 3.45Å; Q804-L808 HydrophobicContact CB-CD1 4.02Å; Q804-L808 HydrophobicContact CB-CG 4.38Å; Q804-L808 HydrophobicContact CG-CD1 4.24Å; Q804-L808 HydrophobicContact CG-CG 4.4Å; Q804-L808 WeakPolarHBondContact O-CB 3.3Å; Q804-L808 WeakPolarHBondContact O-CD1 3.37Å; Q804-L808 WeakPolarHBondContact O-CG 3.08Å; Q804-L808 PolarHBondContact O-N 3.32Å
805	C	48.5	Very low	51.3	Low	16 Å²	16	53.3 Å²	53.3	11%	0.108	26%	0.256	C	S	.	.	H	α-helix	trans	-57	-83	152.8	-53.4	0	0	0	0	109.5	Y264 R268 L801 T802 G807 L809	Y264-C805 WeakPolarHBondContact CD2-O 3.31Å; Y264-C805 VanDerWaalsContact CE2-C 3.42Å; Y264-C805 HydrophobicContact CE2-CB 4.22Å; Y264-C805 WeakPolarHBondContact CE2-O 3.04Å; R268-C805 WeakPolarHBondContact CA-SG 3.47Å; L801-C805 PolarHBondContact O-N 3.36Å; L801-C805 PolarHBondContact O-SG 2.93Å; T802-C805 WeakPolarHBondContact O-CB 3.46Å; C805-G807 PolarHBondContact O-N 3.4Å; C805-L809 VanDerWaalsContact O-CB 3.27Å; C805-L809 WeakPolarHBondContact O-CB 3.29Å; C805-L809 PolarHBondContact O-N 3.4Å
806	K	49.9	Very low	50.7	Low	127 Å²	127	51.4 Å²	51.4	55%	0.552	25%	0.248	S	C	*	.	H	α-helix	trans	-54.8	-22.3	-179.8	-69.3	170.3	178.5	-175	0	113.4	T802 E803 L809 K810	T802-K806 HydrophobicContact CG2-CD 4.48Å; T802-K806 WeakPolarHBondContact O-CB 3.28Å; T802-K806 WeakPolarHBondContact O-CG 3.27Å; T802-K806 PolarHBondContact O-N 3.32Å; E803-K806 HydrophobicContact CB-CB 3.96Å; E803-K806 HydrophobicContact CG-CB 3.84Å; K806-L809 WeakPolarHBondContact O-CB 3.48Å; K806-K810 WeakPolarHBondContact O-CB 3.5Å; K806-K810 PolarHBondContact O-N 2.99Å
807	G	47.8	Very low	50.5	Low	11 Å²	11	58.2 Å²	58.2	11%	0.113	27%	0.271	C	S	.	.	H	α-helix	trans	-115.3	-5.8	-169.2	0	0	0	0	0	117.5	E803 C805 R811	E803-G807 VanDerWaalsContact CA-N 3.3Å; E803-G807 WeakPolarHBondContact O-CA 3.46Å; E803-G807 PolarHBondContact O-N 3.31Å; C805-G807 PolarHBondContact O-N 3.4Å; G807-R811 WeakPolarHBondContact O-CB 3.45Å; G807-R811 WeakPolarHBondContact O-CG 3.41Å; G807-R811 PolarHBondContact O-N 3.32Å
808	L	54	Low	50	Low	9 Å²	9	55.4 Å²	55.4	5%	0.047	26%	0.261	C	S	.	.	H	α-helix	trans	-78.7	-40.5	148	-69.6	155.8	0	0	0	108.6	P260 E263 Y264 A267 Q804 K810 R811 A812	P260-L808 HydrophobicContact CB-CD2 4.44Å; E263-L808 HydrophobicContact CB-CD1 4.39Å; E263-L808 HydrophobicContact CB-CD2 3.92Å; E263-L808 WeakPolarHBondContact O-CD1 3.43Å; E263-L808 WeakPolarHBondContact OE2-CD2 3.42Å; Y264-L808 HydrophobicContact CD2-CB 4.29Å; Y264-L808 HydrophobicContact CG-CB 4.35Å; A267-L808 HydrophobicContact CB-CD1 3.38Å; Q804-L808 HydrophobicContact CB-CD1 4.02Å; Q804-L808 HydrophobicContact CB-CG 4.38Å; Q804-L808 HydrophobicContact CG-CD1 4.24Å; Q804-L808 HydrophobicContact CG-CG 4.4Å; Q804-L808 WeakPolarHBondContact O-CB 3.3Å; Q804-L808 WeakPolarHBondContact O-CD1 3.37Å; Q804-L808 WeakPolarHBondContact O-CG 3.08Å; Q804-L808 PolarHBondContact O-N 3.32Å; L808-K810 PolarHBondContact O-N 3.39Å; L808-R811 WeakPolarHBondContact O-CB 3.46Å; L808-R811 PolarHBondContact O-N 2.95Å; L808-R811 VanDerWaalsContact O-N 3.13Å; L808-A812 WeakPolarHBondContact O-CB 3.34Å; L808-A812 PolarHBondContact O-N 3.2Å
809	L	49.8	Very low	49.2	Very low	49 Å²	49	59.4 Å²	59.4	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-51.9	-41.3	164.4	-178.5	72.8	0	0	0	111.8	W261 Y264 C805 K806 K813	W261-L809 HydrophobicContact CE3-CD1 4.41Å; W261-L809 HydrophobicContact CH2-CD1 4.07Å; W261-L809 HydrophobicContact CZ3-CD1 3.54Å; Y264-L809 HydrophobicContact CD1-CB 4.12Å; Y264-L809 HydrophobicContact CD1-CD1 4.08Å; Y264-L809 HydrophobicContact CD2-CB 3.9Å; Y264-L809 HydrophobicContact CE1-CB 4.06Å; Y264-L809 HydrophobicContact CE1-CD1 3.72Å; Y264-L809 HydrophobicContact CE1-CG 4.36Å; Y264-L809 HydrophobicContact CE2-CB 3.86Å; Y264-L809 HydrophobicContact CG-CB 4.04Å; C805-L809 VanDerWaalsContact O-CB 3.27Å; C805-L809 WeakPolarHBondContact O-CB 3.29Å; C805-L809 PolarHBondContact O-N 3.4Å; K806-L809 WeakPolarHBondContact O-CB 3.48Å; L809-K813 WeakPolarHBondContact O-CG 3.34Å; L809-K813 PolarHBondContact O-N 3.42Å
810	K	48.4	Very low	49	Very low	109 Å²	109	61.1 Å²	61.1	47%	0.474	29%	0.293	S	S	.	.	H	α-helix	trans	-77.5	-36	174.4	-146.1	-179.6	-157.1	173.6	0	113.5	E803 K806 L808 A812 K813 S814	E803-K810 IonicContact OE1-NZ 2.6Å; E803-K810 PolarHBondContact OE1-NZ 2.75Å; K806-K810 WeakPolarHBondContact O-CB 3.5Å; K806-K810 PolarHBondContact O-N 2.99Å; L808-K810 PolarHBondContact O-N 3.39Å; K810-A812 PolarHBondContact O-N 3.09Å; K810-K813 PolarHBondContact O-N 2.81Å; K810-S814 WeakPolarHBondContact O-CA 3.38Å; K810-S814 WeakPolarHBondContact O-CB 3.48Å; K810-S814 PolarHBondContact O-N 2.99Å
811	R	49.3	Very low	48.8	Very low	137 Å²	137	65.8 Å²	65.8	52%	0.517	32%	0.32	S	S	.	.	H	α-helix	trans	-54.1	-48	168.3	-92.9	172	161.6	-164.6	2.4	108.4	P260 E263 G807 L808 S814 N815	P260-R811 HydrophobicContact CB-CB 4.14Å; P260-R811 HydrophobicContact CG-CB 4.44Å; E263-R811 IonicContact OE2-NH1 2.63Å; E263-R811 PolarHBondContact OE2-NH1 3.28Å; G807-R811 WeakPolarHBondContact O-CB 3.45Å; G807-R811 WeakPolarHBondContact O-CG 3.41Å; G807-R811 PolarHBondContact O-N 3.32Å; L808-R811 WeakPolarHBondContact O-CB 3.46Å; L808-R811 PolarHBondContact O-N 2.95Å; L808-R811 VanDerWaalsContact O-N 3.13Å; R811-S814 CarbonylContact O-C 3.57Å; R811-S814 PolarHBondContact O-N 3.46Å; R811-N815 WeakPolarHBondContact O-CB 3.38Å; R811-N815 PolarHBondContact O-N 2.89Å; R811-N815 PolarHBondContact O-OD1 3.26Å
812	A	51.4	Low	48.2	Very low	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-68.7	-43	-175.6	0	0	0	0	0	112.3	W261 L808 K810 C816	W261-A812 HydrophobicContact CB-CB 4.1Å; W261-A812 VanDerWaalsContact CD1-CB 3.48Å; W261-A812 HydrophobicContact CD2-CB 3.33Å; W261-A812 HydrophobicContact CE3-CB 3.98Å; W261-A812 HydrophobicContact CG-CB 3.4Å; W261-A812 VanDerWaalsContact CG-CB 3.4Å; W261-A812 HydrophobicContact CH2-CB 4.49Å; W261-A812 HydrophobicContact CZ2-CB 3.9Å; W261-A812 PolarHBondContact NE1-O 3.25Å; L808-A812 WeakPolarHBondContact O-CB 3.34Å; L808-A812 PolarHBondContact O-N 3.2Å; K810-A812 PolarHBondContact O-N 3.09Å; A812-C816 PolarHBondContact O-N 3.14Å; A812-C816 PolarHBondContact O-SG 3.34Å
813	K	50.2	Low	48.2	Very low	41 Å²	41	71.6 Å²	71.6	18%	0.178	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-37.1	167.3	-72.8	-167.8	177	-152	0	113.7	W261 L809 K810 C816 R817 M818 P820 E822	W261-K813 HydrophobicContact CH2-CG 3.64Å; W261-K813 HydrophobicContact CZ2-CB 4.48Å; W261-K813 HydrophobicContact CZ2-CG 3.77Å; L809-K813 WeakPolarHBondContact O-CG 3.34Å; L809-K813 PolarHBondContact O-N 3.42Å; K810-K813 PolarHBondContact O-N 2.81Å; K813-C816 CarbonylContact O-C 2.92Å; K813-C816 WeakPolarHBondContact O-CB 3.14Å; K813-C816 PolarHBondContact O-N 2.82Å; K813-R817 PolarHBondContact O-N 3.19Å; K813-R817 VanDerWaalsContact O-N 3.14Å; K813-M818 WeakPolarHBondContact O-CB 3.43Å; K813-M818 PolarHBondContact O-N 2.74Å; K813-P820 PolarHBondContact NZ-O 3.22Å; K813-E822 PolarHBondContact NZ-O 2.9Å
814	S	47.6	Very low	48.4	Very low	74 Å²	74	70.4 Å²	70.4	52%	0.517	35%	0.349	S	S	.	.	H	α-helix	trans	-77.1	-29.9	-177.8	-175.3	0	0	0	0	112.6	K810 R811 C816 R817	K810-S814 WeakPolarHBondContact O-CA 3.38Å; K810-S814 WeakPolarHBondContact O-CB 3.48Å; K810-S814 PolarHBondContact O-N 2.99Å; R811-S814 CarbonylContact O-C 3.57Å; R811-S814 PolarHBondContact O-N 3.46Å; S814-C816 VanDerWaalsContact C-N 3.27Å; S814-R817 VanDerWaalsContact C-N 3.34Å; S814-R817 WeakPolarHBondContact O-CA 3.46Å; S814-R817 PolarHBondContact O-N 3.37Å
815	N	53.1	Low	48.5	Very low	52 Å²	52	70.5 Å²	70.5	28%	0.278	35%	0.354	S	S	.	.	H	α-helix	trans	-65.9	-35.1	170.2	-81.9	11.5	0	0	0	110	K257 P260 R811 R817	K257-N815 HydrophobicContact CB-CB 3.76Å; K257-N815 WeakPolarHBondContact CD-O 3.42Å; K257-N815 HydrophobicContact CG-CB 3.7Å; K257-N815 WeakPolarHBondContact CG-O 3.33Å; K257-N815 WeakPolarHBondContact O-CB 3.34Å; K257-N815 PolarHBondContact O-ND2 3.13Å; P260-N815 WeakPolarHBondContact CG-ND2 3.38Å; R811-N815 WeakPolarHBondContact O-CB 3.38Å; R811-N815 PolarHBondContact O-N 2.89Å; R811-N815 PolarHBondContact O-OD1 3.26Å; N815-R817 VanDerWaalsContact C-N 3.27Å; N815-R817 PolarHBondContact O-N 2.7Å
816	C	49.1	Very low	48.6	Very low	6 Å²	6	77.5 Å²	77.5	4%	0.041	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-1	164.5	-55.9	0	0	0	0	114.5	A812 K813 S814 M818 L824 L828 F832	A812-C816 PolarHBondContact O-N 3.14Å; A812-C816 PolarHBondContact O-SG 3.34Å; K813-C816 CarbonylContact O-C 2.92Å; K813-C816 WeakPolarHBondContact O-CB 3.14Å; K813-C816 PolarHBondContact O-N 2.82Å; S814-C816 VanDerWaalsContact C-N 3.27Å; C816-M818 HydrophobicContact CB-CG 3.88Å; C816-M818 HydrophobicContact CB-SD 4.4Å; C816-M818 WeakPolarHBondContact O-CG 3.03Å; C816-M818 PolarHBondContact O-N 3.27Å; C816-L824 HydrophobicContact CB-CD1 4.37Å; C816-L828 HydrophobicContact CB-CD1 4.17Å; C816-L828 HydrophobicContact CB-CD2 4.03Å; C816-L828 WeakPolarHBondContact O-CD1 3.38Å; C816-F832 WeakPolarHBondContact SG-CE2 3.47Å; C816-F832 VanDerWaalsContact SG-CZ 3.55Å
817	R	45.8	Very low	48.5	Very low	219 Å²	219	78.9 Å²	78.9	83%	0.826	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	44.1	-175.2	-61.1	-173.6	177.3	-179	1.8	115.1	K813 S814 N815	K813-R817 PolarHBondContact O-N 3.19Å; K813-R817 VanDerWaalsContact O-N 3.14Å; S814-R817 VanDerWaalsContact C-N 3.34Å; S814-R817 WeakPolarHBondContact O-CA 3.46Å; S814-R817 PolarHBondContact O-N 3.37Å; N815-R817 VanDerWaalsContact C-N 3.27Å; N815-R817 PolarHBondContact O-N 2.7Å
818	M	43.3	Very low	48.5	Very low	24 Å²	24	80.4 Å²	80.4	12%	0.118	40%	0.399	C	S	.	.			trans	-109.2	160.1	-173.5	-69.1	-154.4	63	0	0	116.3	K813 C816 E822 A823 L824 S825 L828	K813-M818 WeakPolarHBondContact O-CB 3.43Å; K813-M818 PolarHBondContact O-N 2.74Å; C816-M818 HydrophobicContact CB-CG 3.88Å; C816-M818 HydrophobicContact CB-SD 4.4Å; C816-M818 WeakPolarHBondContact O-CG 3.03Å; C816-M818 PolarHBondContact O-N 3.27Å; M818-E822 HydrophobicContact CE-CB 3.91Å; M818-E822 HydrophobicContact CE-CG 3.62Å; M818-E822 WeakPolarHBondContact CE-OE2 3.44Å; M818-A823 VanDerWaalsContact CE-O 3.26Å; M818-A823 WeakPolarHBondContact CE-O 3.5Å; M818-L824 VanDerWaalsContact SD-CA 3.57Å; M818-L824 HydrophobicContact SD-CB 4.37Å; M818-L824 HydrophobicContact SD-CD1 3.78Å; M818-L824 HydrophobicContact SD-CG 3.91Å; M818-S825 PolarHBondContact SD-N 2.99Å; M818-L828 HydrophobicContact CG-CD1 4.29Å; M818-L828 HydrophobicContact SD-CD1 4.46Å
819	Q	41.4	Very low	48.6	Very low	133 Å²	133	86.1 Å²	86.1	62%	0.621	42%	0.42	S	S	*	.			trans	-82.7	161	176.3	-64.8	-61.8	-19.8	0	0	113.2	E822	Q819-E822 HydrophobicContact CB-CB 4.26Å
820	P	49.2	Very low	48.7	Very low	79 Å²	79	89.1 Å²	89.1	51%	0.513	43%	0.432	S	S	.	.	S	Bend	trans	-66.1	-43.2	-163.1	-26.3	36.4	0	0	0	116.5	K813	K813-P820 PolarHBondContact NZ-O 3.22Å
821	D	43.9	Very low	49	Very low	165 Å²	165	85.5 Å²	85.5	88%	0.882	42%	0.423	S	S	*	.	S	Bend	trans	-105.2	1.1	-177.7	-66	-49.4	0	0	0	113.1	A823	D821-A823 PolarHBondContact O-N 2.92Å
822	E	40.6	Very low	49.7	Very low	106 Å²	106	79.6 Å²	79.6	50%	0.495	40%	0.401	S	S	.	.	S	Bend	trans	-68.9	127.1	167.8	-160.5	170.4	-140.5	0	0	108.7	K813 M818 Q819	K813-E822 PolarHBondContact NZ-O 2.9Å; M818-E822 HydrophobicContact CE-CB 3.91Å; M818-E822 HydrophobicContact CE-CG 3.62Å; M818-E822 WeakPolarHBondContact CE-OE2 3.44Å; Q819-E822 HydrophobicContact CB-CB 4.26Å
823	A	51	Low	50.1	Low	61 Å²	61	83.9 Å²	83.9	50%	0.504	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-66.8	151.6	168.4	0	0	0	0	0	108.9	M818 D821 S825	M818-A823 VanDerWaalsContact CE-O 3.26Å; M818-A823 WeakPolarHBondContact CE-O 3.5Å; D821-A823 PolarHBondContact O-N 2.92Å; A823-S825 PolarHBondContact O-N 3Å; A823-S825 VanDerWaalsContact O-N 3.13Å
824	L	53.2	Low	50.3	Low	27 Å²	27	88.5 Å²	88.5	14%	0.141	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-52.6	124.5	-170	-145.6	80.7	0	0	0	111.1	W261 C816 M818 E826 R829 F832	W261-L824 HydrophobicContact CH2-CD1 4.18Å; W261-L824 HydrophobicContact CZ2-CD1 3.53Å; C816-L824 HydrophobicContact CB-CD1 4.37Å; M818-L824 VanDerWaalsContact SD-CA 3.57Å; M818-L824 HydrophobicContact SD-CB 4.37Å; M818-L824 HydrophobicContact SD-CD1 3.78Å; M818-L824 HydrophobicContact SD-CG 3.91Å; L824-E826 PolarHBondContact O-N 3.13Å; L824-R829 HydrophobicContact CB-CB 4.26Å; L824-R829 HydrophobicContact CB-CG 4.05Å; L824-R829 HydrophobicContact CD2-CB 4.31Å; L824-R829 HydrophobicContact CD2-CG 4.27Å; L824-R829 WeakPolarHBondContact O-CD 3.34Å; L824-F832 HydrophobicContact CD2-CD2 4.2Å
825	S	50.1	Low	51	Low	36 Å²	36	86.5 Å²	86.5	25%	0.252	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-54	135.6	-170.4	162.6	0	0	0	0	109.1	M818 A823 E827 L828 R829	M818-S825 PolarHBondContact SD-N 2.99Å; A823-S825 PolarHBondContact O-N 3Å; A823-S825 VanDerWaalsContact O-N 3.13Å; S825-E827 PolarHBondContact O-N 3.02Å; S825-L828 CarbonylContact O-C 3.55Å; S825-L828 PolarHBondContact O-N 3.34Å; S825-R829 WeakPolarHBondContact O-CB 3.44Å; S825-R829 PolarHBondContact O-N 3.26Å
826	E	52	Low	51.4	Low	162 Å²	162	85.3 Å²	85.3	76%	0.757	43%	0.429	S	S	*	.	H	α-helix	trans	-49.1	-39.2	-170.9	-135.9	99.9	-115.4	0	0	111.7	L824 H830	L824-E826 PolarHBondContact O-N 3.13Å; E826-H830 WeakPolarHBondContact O-CB 3.4Å; E826-H830 PolarHBondContact O-N 2.72Å
827	E	46.5	Very low	51.6	Low	157 Å²	157	90.9 Å²	90.9	73%	0.734	46%	0.458	S	S	*	.	H	α-helix	trans	-67.2	-46.7	177.7	-57.4	179.9	135.5	0	0	113.1	S825 A831	S825-E827 PolarHBondContact O-N 3.02Å; E827-A831 WeakPolarHBondContact O-CB 3.22Å; E827-A831 PolarHBondContact O-N 2.8Å
828	L	48.3	Very low	52.1	Low	43 Å²	43	83.7 Å²	83.7	23%	0.225	44%	0.439	C	S	.	.	H	α-helix	trans	-73.3	-31.2	178.7	-83.4	147.2	0	0	0	112.3	C816 M818 S825 A831 F832	C816-L828 HydrophobicContact CB-CD1 4.17Å; C816-L828 HydrophobicContact CB-CD2 4.03Å; C816-L828 WeakPolarHBondContact O-CD1 3.38Å; M818-L828 HydrophobicContact CG-CD1 4.29Å; M818-L828 HydrophobicContact SD-CD1 4.46Å; S825-L828 CarbonylContact O-C 3.55Å; S825-L828 PolarHBondContact O-N 3.34Å; L828-A831 PolarHBondContact O-N 2.78Å; L828-F832 WeakPolarHBondContact O-CB 3.19Å; L828-F832 PolarHBondContact O-N 3.05Å
829	R	55.9	Low	53	Low	129 Å²	129	85.7 Å²	85.7	49%	0.487	45%	0.45	S	S	.	.	H	α-helix	trans	-69.6	-44.5	174.9	-148.2	176	-155.3	163.8	-5.4	110.7	L824 S825 A831 F832 S833	L824-R829 HydrophobicContact CB-CB 4.26Å; L824-R829 HydrophobicContact CB-CG 4.05Å; L824-R829 HydrophobicContact CD2-CB 4.31Å; L824-R829 HydrophobicContact CD2-CG 4.27Å; L824-R829 WeakPolarHBondContact O-CD 3.34Å; S825-R829 WeakPolarHBondContact O-CB 3.44Å; S825-R829 PolarHBondContact O-N 3.26Å; R829-A831 VanDerWaalsContact C-N 3.28Å; R829-A831 PolarHBondContact O-N 2.87Å; R829-F832 PolarHBondContact O-N 3.42Å; R829-S833 WeakPolarHBondContact O-CB 3.48Å; R829-S833 PolarHBondContact O-N 3.3Å; R829-S833 PolarHBondContact O-OG 3.49Å
830	H	52.5	Low	53.7	Low	112 Å²	112	85.9 Å²	85.9	52%	0.519	46%	0.455	S	S	.	.	H	α-helix	trans	-66.9	-24.2	171.9	171.5	-121.7	0	0	0	113.7	E826 K834	E826-H830 WeakPolarHBondContact O-CB 3.4Å; E826-H830 PolarHBondContact O-N 2.72Å; H830-K834 PolarHBondContact CE1-NZ 3.27Å; H830-K834 VanDerWaalsContact CE1-NZ 3.27Å; H830-K834 VanDerWaalsContact NE2-CE 3.29Å; H830-K834 WeakPolarHBondContact NE2-CE 3.35Å; H830-K834 PolarHBondContact NE2-NZ 3.19Å; H830-K834 WeakPolarHBondContact O-CD 3.37Å; H830-K834 WeakPolarHBondContact O-CE 3.32Å; H830-K834 WeakPolarHBondContact O-CG 3.33Å
831	A	54.2	Low	54.1	Low	33 Å²	33	87 Å²	87	27%	0.273	45%	0.453	S	S	.	.	H	α-helix	trans	-76.6	-46.9	169.3	0	0	0	0	0	112	E827 L828 R829 S833 K834	E827-A831 WeakPolarHBondContact O-CB 3.22Å; E827-A831 PolarHBondContact O-N 2.8Å; L828-A831 PolarHBondContact O-N 2.78Å; R829-A831 VanDerWaalsContact C-N 3.28Å; R829-A831 PolarHBondContact O-N 2.87Å; A831-S833 PolarHBondContact O-N 3.36Å; A831-K834 PolarHBondContact O-N 3.45Å
832	F	64.3	Low	55.1	Low	13 Å²	13	79.1 Å²	79.1	6%	0.057	41%	0.412	C	S	.	.	H	α-helix	trans	-73.9	-24.8	-176.7	-81.7	16.2	0	0	0	113.8	L254 K257 K258 W261 C816 L824 L828 R829 K834 L835	L254-F832 HydrophobicContact CD1-CE1 3.84Å; L254-F832 HydrophobicContact CG-CE1 4.12Å; K257-F832 HydrophobicContact CB-CZ 4.23Å; K258-F832 HydrophobicContact CB-CD2 4.42Å; K258-F832 HydrophobicContact CB-CE1 4.31Å; K258-F832 HydrophobicContact CB-CE2 4.04Å; K258-F832 HydrophobicContact CB-CZ 3.98Å; K258-F832 HydrophobicContact CD-CD2 4.48Å; K258-F832 HydrophobicContact CD-CG 4.39Å; K258-F832 HydrophobicContact CG-CD2 4.15Å; K258-F832 HydrophobicContact CG-CE2 4.19Å; K258-F832 HydrophobicContact CG-CG 4.5Å; K258-F832 PolarHBondContact NZ-O 3.34Å; W261-F832 AromaticContact CD1-CE2 3.62Å; W261-F832 AromaticContact NE1-CE2 3.57Å; C816-F832 WeakPolarHBondContact SG-CE2 3.47Å; C816-F832 VanDerWaalsContact SG-CZ 3.55Å; L824-F832 HydrophobicContact CD2-CD2 4.2Å; L828-F832 WeakPolarHBondContact O-CB 3.19Å; L828-F832 PolarHBondContact O-N 3.05Å; R829-F832 PolarHBondContact O-N 3.42Å; F832-K834 PolarHBondContact O-N 3.21Å; F832-L835 HydrophobicContact CD1-CD1 4.32Å; F832-L835 PolarHBondContact O-N 3.28Å
833	S	59.3	Low	56.3	Low	89 Å²	89	76.5 Å²	76.5	62%	0.622	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	3.8	173	74.4	0	0	0	0	114.2	R829 A831	R829-S833 WeakPolarHBondContact O-CB 3.48Å; R829-S833 PolarHBondContact O-N 3.3Å; R829-S833 PolarHBondContact O-OG 3.49Å; A831-S833 PolarHBondContact O-N 3.36Å
834	K	55.4	Low	57.1	Low	139 Å²	139	76.4 Å²	76.4	60%	0.604	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	11.2	174.4	-63.4	-179.9	-174.2	-179.1	0	112.6	H830 A831 F832	H830-K834 PolarHBondContact CE1-NZ 3.27Å; H830-K834 VanDerWaalsContact CE1-NZ 3.27Å; H830-K834 VanDerWaalsContact NE2-CE 3.29Å; H830-K834 WeakPolarHBondContact NE2-CE 3.35Å; H830-K834 PolarHBondContact NE2-NZ 3.19Å; H830-K834 WeakPolarHBondContact O-CD 3.37Å; H830-K834 WeakPolarHBondContact O-CE 3.32Å; H830-K834 WeakPolarHBondContact O-CG 3.33Å; A831-K834 PolarHBondContact O-N 3.45Å; F832-K834 PolarHBondContact O-N 3.21Å
835	L	62.6	Low	57.9	Low	32 Å²	32	78.4 Å²	78.4	17%	0.168	41%	0.41	C	S	.	.	S	Bend	trans	-127.7	153.4	-176.9	-58.5	174.9	0	0	0	109.1	L255 K258 F832 M845	L255-L835 HydrophobicContact CD2-CD1 4.26Å; L255-L835 HydrophobicContact CD2-CD2 4.12Å; K258-L835 HydrophobicContact CD-CB 3.95Å; K258-L835 HydrophobicContact CD-CD1 4.4Å; K258-L835 PolarHBondContact NZ-O 3.34Å; F832-L835 HydrophobicContact CD1-CD1 4.32Å; F832-L835 PolarHBondContact O-N 3.28Å; L835-M845 HydrophobicContact CD2-CE 4.07Å
836	P	60.2	Low	59	Low	27 Å²	27	76.8 Å²	76.8	18%	0.175	40%	0.398	C	S	.	.			trans	-66.1	161.8	-175	-18.7	32.3	0	0	0	113.5	K258 E841 V842 M845	K258-P836 WeakPolarHBondContact CE-O 3.37Å; K258-P836 PolarHBondContact NZ-O 3.35Å; P836-E841 HydrophobicContact CB-CB 3.45Å; P836-E841 VanDerWaalsContact CB-CB 3.45Å; P836-E841 HydrophobicContact CG-CB 4.1Å; P836-V842 HydrophobicContact CB-CG2 4.24Å; P836-V842 VanDerWaalsContact O-CG2 3.27Å; P836-V842 WeakPolarHBondContact O-CG2 3.42Å; P836-M845 WeakPolarHBondContact CD-SD 3.41Å; P836-M845 HydrophobicContact CG-CG 4.2Å; P836-M845 HydrophobicContact CG-SD 3.54Å; P836-M845 VanDerWaalsContact CG-SD 3.54Å
837	D	53.6	Low	59.9	Low	122 Å²	122	73.5 Å²	73.5	65%	0.652	39%	0.386	S	S	*	.			trans	-114	-14.7	-174.2	-72.6	-38.9	0	0	0	114.4	K258	K258-D837 WeakPolarHBondContact CE-OD1 3.49Å; K258-D837 IonicContact NZ-OD1 3.47Å; K258-D837 PolarHBondContact NZ-OD1 2.85Å
838	T	56.5	Low	61.3	Low	68 Å²	68	70.6 Å²	70.6	42%	0.417	37%	0.372	S	S	.	.	S	Bend	trans	-90.9	153.2	172.3	70.3	0	0	0	0	111.9	D840 E841 V842	T838-D840 VanDerWaalsContact C-N 3.32Å; T838-D840 PolarHBondContact O-N 3.32Å; T838-E841 WeakPolarHBondContact CB-OE2 3.23Å; T838-E841 WeakPolarHBondContact CG2-OE2 3.48Å; T838-E841 PolarHBondContact O-N 3.06Å; T838-E841 WeakPolarHBondContact OG1-CB 3.47Å; T838-E841 WeakPolarHBondContact OG1-CG 3.37Å; T838-E841 PolarHBondContact OG1-N 3.4Å; T838-E841 PolarHBondContact OG1-OE2 2.84Å; T838-V842 WeakPolarHBondContact O-CB 3.21Å; T838-V842 VanDerWaalsContact O-CG2 3.26Å; T838-V842 WeakPolarHBondContact O-CG2 3.29Å; T838-V842 PolarHBondContact O-N 3.04Å
839	L	62	Low	62.5	Low	67 Å²	67	69.6 Å²	69.6	35%	0.351	37%	0.367	S	S	.	.	H	α-helix	trans	-62.2	-39.6	-176.9	-128.4	163.5	0	0	0	111.9	V262 D843	V262-L839 HydrophobicContact CB-CG 4.39Å; V262-L839 HydrophobicContact CG1-CB 4.2Å; V262-L839 HydrophobicContact CG1-CD1 3.95Å; V262-L839 HydrophobicContact CG1-CG 3.87Å; L839-D843 PolarHBondContact O-N 3.36Å; L839-D843 VanDerWaalsContact O-N 3.08Å
840	D	55.6	Low	63.3	Low	136 Å²	136	68.3 Å²	68.3	73%	0.727	36%	0.362	S	S	*	.	H	α-helix	trans	-72	-40.4	179.7	-58.2	-67.7	0	0	0	113	T838 D843 A844	T838-D840 VanDerWaalsContact C-N 3.32Å; T838-D840 PolarHBondContact O-N 3.32Å; D840-D843 PolarHBondContact O-N 3.32Å; D840-A844 WeakPolarHBondContact O-CB 3.41Å; D840-A844 PolarHBondContact O-N 3.32Å
841	E	59.6	Low	64.3	Low	102 Å²	102	66.2 Å²	66.2	48%	0.477	36%	0.359	S	S	.	.	H	α-helix	trans	-70.8	-35.4	176.5	-66.4	167.4	136.8	0	0	112.2	P836 T838 A844 M845	P836-E841 HydrophobicContact CB-CB 3.45Å; P836-E841 VanDerWaalsContact CB-CB 3.45Å; P836-E841 HydrophobicContact CG-CB 4.1Å; T838-E841 WeakPolarHBondContact CB-OE2 3.23Å; T838-E841 WeakPolarHBondContact CG2-OE2 3.48Å; T838-E841 PolarHBondContact O-N 3.06Å; T838-E841 WeakPolarHBondContact OG1-CB 3.47Å; T838-E841 WeakPolarHBondContact OG1-CG 3.37Å; T838-E841 PolarHBondContact OG1-N 3.4Å; T838-E841 PolarHBondContact OG1-OE2 2.84Å; E841-A844 PolarHBondContact O-N 2.93Å; E841-M845 PolarHBondContact O-N 3.14Å; E841-M845 VanDerWaalsContact O-N 3.11Å
842	V	64.4	Low	65.2	Low	1 Å²	1	70 Å²	70	1%	0.006	37%	0.366	C	S	.	.	H	α-helix	trans	-60.9	-49.4	172.2	167.9	0	0	0	0	109.7	P836 T838 A844 M845 L846	P836-V842 HydrophobicContact CB-CG2 4.24Å; P836-V842 VanDerWaalsContact O-CG2 3.27Å; P836-V842 WeakPolarHBondContact O-CG2 3.42Å; T838-V842 WeakPolarHBondContact O-CB 3.21Å; T838-V842 VanDerWaalsContact O-CG2 3.26Å; T838-V842 WeakPolarHBondContact O-CG2 3.29Å; T838-V842 PolarHBondContact O-N 3.04Å; V842-A844 VanDerWaalsContact C-N 3.3Å; V842-A844 PolarHBondContact O-N 3.3Å; V842-M845 PolarHBondContact O-N 3.04Å; V842-L846 VanDerWaalsContact O-CB 3.27Å; V842-L846 WeakPolarHBondContact O-CB 3.46Å; V842-L846 PolarHBondContact O-N 2.97Å
843	D	64.9	Low	65.5	Low	50 Å²	50	69.7 Å²	69.7	27%	0.267	37%	0.366	S	S	.	.	H	α-helix	trans	-68.3	-26.4	178.4	-80.6	-23.2	0	0	0	113.3	K259 L839 D840 N847	K259-D843 IonicContact NZ-OD1 2.68Å; K259-D843 PolarHBondContact NZ-OD1 2.97Å; K259-D843 IonicContact NZ-OD2 2.77Å; K259-D843 PolarHBondContact NZ-OD2 3.27Å; L839-D843 PolarHBondContact O-N 3.36Å; L839-D843 VanDerWaalsContact O-N 3.08Å; D840-D843 PolarHBondContact O-N 3.32Å; D843-N847 WeakPolarHBondContact O-CB 3.32Å; D843-N847 PolarHBondContact O-N 3.39Å; D843-N847 PolarHBondContact O-ND2 3.12Å
844	A	67.8	Low	66	Low	60 Å²	60	72.1 Å²	72.1	50%	0.496	37%	0.368	S	S	.	.	H	α-helix	trans	-65.1	-50.4	171.4	0	0	0	0	0	112.7	D840 E841 V842 L846 N847 E848	D840-A844 WeakPolarHBondContact O-CB 3.41Å; D840-A844 PolarHBondContact O-N 3.32Å; E841-A844 PolarHBondContact O-N 2.93Å; V842-A844 VanDerWaalsContact C-N 3.3Å; V842-A844 PolarHBondContact O-N 3.3Å; A844-L846 VanDerWaalsContact C-N 3.29Å; A844-L846 PolarHBondContact O-N 3.16Å; A844-N847 PolarHBondContact O-N 3.38Å; A844-E848 PolarHBondContact O-N 3.42Å
845	M	70.4	Confident	66.7	Low	68 Å²	68	70.3 Å²	70.3	34%	0.335	37%	0.372	S	S	.	.	H	α-helix	trans	-64.9	-34.3	174.7	-86.3	-171.3	62.4	0	0	112.4	L835 P836 E841 V842 N847 E848 E849	L835-M845 HydrophobicContact CD2-CE 4.07Å; P836-M845 WeakPolarHBondContact CD-SD 3.41Å; P836-M845 HydrophobicContact CG-CG 4.2Å; P836-M845 HydrophobicContact CG-SD 3.54Å; P836-M845 VanDerWaalsContact CG-SD 3.54Å; E841-M845 PolarHBondContact O-N 3.14Å; E841-M845 VanDerWaalsContact O-N 3.11Å; V842-M845 PolarHBondContact O-N 3.04Å; M845-N847 VanDerWaalsContact C-N 3.3Å; M845-N847 PolarHBondContact O-N 2.94Å; M845-E848 PolarHBondContact O-N 3.26Å; M845-E849 PolarHBondContact O-N 2.89Å
846	L	73.4	Confident	67	Low	3 Å²	3	71.5 Å²	71.5	2%	0.016	38%	0.376	C	S	.	.	H	α-helix	trans	-65.3	-34.8	177	-146.7	166.3	0	0	0	111	I252 L255 E256 V842 A844 R850	I252-L846 HydrophobicContact CG2-CD2 4.08Å; L255-L846 HydrophobicContact CB-CD1 4.05Å; L255-L846 HydrophobicContact CB-CG 4.01Å; L255-L846 HydrophobicContact CD1-CB 4.27Å; L255-L846 HydrophobicContact CD1-CG 4.25Å; E256-L846 HydrophobicContact CG-CD1 4.07Å; V842-L846 VanDerWaalsContact O-CB 3.27Å; V842-L846 WeakPolarHBondContact O-CB 3.46Å; V842-L846 PolarHBondContact O-N 2.97Å; A844-L846 VanDerWaalsContact C-N 3.29Å; A844-L846 PolarHBondContact O-N 3.16Å; L846-R850 HydrophobicContact CD2-CG 4.28Å; L846-R850 WeakPolarHBondContact O-CB 3.48Å; L846-R850 WeakPolarHBondContact O-CG 3.39Å; L846-R850 PolarHBondContact O-N 2.77Å; L846-R850 VanDerWaalsContact O-N 3.09Å
847	N	71.6	Confident	67	Low	92 Å²	92	75.7 Å²	75.7	49%	0.492	40%	0.401	S	S	.	.	H	α-helix	trans	-73.1	-32.5	170.9	-75.3	-28.6	0	0	0	114	D843 A844 M845 S851	D843-N847 WeakPolarHBondContact O-CB 3.32Å; D843-N847 PolarHBondContact O-N 3.39Å; D843-N847 PolarHBondContact O-ND2 3.12Å; A844-N847 PolarHBondContact O-N 3.38Å; M845-N847 VanDerWaalsContact C-N 3.3Å; M845-N847 PolarHBondContact O-N 2.94Å; N847-S851 WeakPolarHBondContact O-CB 3.14Å; N847-S851 PolarHBondContact O-N 2.75Å; N847-S851 PolarHBondContact O-OG 2.98Å
848	E	74.6	Confident	67.3	Low	97 Å²	97	73.8 Å²	73.8	45%	0.453	41%	0.41	S	S	.	.	H	α-helix	trans	-67.7	-48.1	174.9	-166.6	-174.7	178.5	0	0	111.5	A844 M845 R850 S851 R852	A844-E848 PolarHBondContact O-N 3.42Å; M845-E848 PolarHBondContact O-N 3.26Å; E848-R850 VanDerWaalsContact C-N 3.33Å; E848-R850 PolarHBondContact O-N 3.15Å; E848-S851 WeakPolarHBondContact O-CB 3.38Å; E848-S851 PolarHBondContact O-N 3.29Å; E848-R852 WeakPolarHBondContact O-CG 3.4Å; E848-R852 PolarHBondContact O-N 3.19Å; E848-R852 IonicContact OE1-CZ 2.61Å; E848-R852 VanDerWaalsContact OE1-CZ 3.28Å; E848-R852 IonicContact OE1-NE 2.66Å; E848-R852 PolarHBondContact OE1-NE 3.49Å; E848-R852 IonicContact OE1-NH2 2.66Å; E848-R852 PolarHBondContact OE1-NH2 3.47Å; E848-R852 IonicContact OE2-NH2 2.67Å
849	E	73.4	Confident	67.8	Low	22 Å²	22	72.3 Å²	72.3	10%	0.103	40%	0.4	C	S	.	.	H	α-helix	trans	-68.2	-31.5	177.8	-74.1	-65.1	130.4	0	0	112.4	H248 V251 I252 M845 R852 A853	H248-E849 IonicContact CE1-OE2 2.89Å; H248-E849 IonicContact CG-OE2 2.74Å; H248-E849 IonicContact ND1-OE2 2.71Å; H248-E849 PolarHBondContact ND1-OE2 2.59Å; V251-E849 HydrophobicContact CG1-CG 4.24Å; I252-E849 HydrophobicContact CD1-CB 4.47Å; I252-E849 HydrophobicContact CG1-CB 4.06Å; M845-E849 PolarHBondContact O-N 2.89Å; E849-R852 PolarHBondContact O-N 2.81Å; E849-R852 WeakPolarHBondContact OE1-CD 3.44Å; E849-R852 IonicContact OE1-CZ 2.65Å; E849-R852 IonicContact OE1-NE 2.82Å; E849-R852 IonicContact OE1-NH1 3.51Å; E849-R852 PolarHBondContact OE1-NH1 3.48Å; E849-A853 WeakPolarHBondContact O-CB 3.48Å; E849-A853 PolarHBondContact O-N 3.49Å
850	R	73.7	Confident	68.1	Low	102 Å²	102	72 Å²	72	39%	0.385	40%	0.403	S	S	.	.	H	α-helix	trans	-62.8	-47.9	168.1	-79.3	173.7	177.6	171.2	3.3	111.8	I252 E256 L846 E848 R852 A853 E854	I252-R850 HydrophobicContact CD1-CG 3.76Å; I252-R850 HydrophobicContact CG1-CG 4.35Å; E256-R850 IonicContact OE1-CZ 3.24Å; E256-R850 IonicContact OE1-NH2 2.81Å; E256-R850 PolarHBondContact OE1-NH2 3.46Å; L846-R850 HydrophobicContact CD2-CG 4.28Å; L846-R850 WeakPolarHBondContact O-CB 3.48Å; L846-R850 WeakPolarHBondContact O-CG 3.39Å; L846-R850 PolarHBondContact O-N 2.77Å; L846-R850 VanDerWaalsContact O-N 3.09Å; E848-R850 VanDerWaalsContact C-N 3.33Å; E848-R850 PolarHBondContact O-N 3.15Å; R850-R852 VanDerWaalsContact C-N 3.28Å; R850-R852 PolarHBondContact O-N 3.22Å; R850-A853 PolarHBondContact O-N 3.47Å; R850-A853 VanDerWaalsContact O-N 3.08Å; R850-E854 WeakPolarHBondContact O-CG 3.17Å; R850-E854 PolarHBondContact O-N 3.44Å
851	S	72.4	Confident	69	Low	67 Å²	67	71.6 Å²	71.6	47%	0.469	40%	0.397	S	S	.	.	H	α-helix	trans	-55.3	-43.1	174.4	-58	0	0	0	0	112.1	N847 E848 E854 C855	N847-S851 WeakPolarHBondContact O-CB 3.14Å; N847-S851 PolarHBondContact O-N 2.75Å; N847-S851 PolarHBondContact O-OG 2.98Å; E848-S851 WeakPolarHBondContact O-CB 3.38Å; E848-S851 PolarHBondContact O-N 3.29Å; S851-E854 PolarHBondContact O-N 3.14Å; S851-C855 PolarHBondContact O-N 2.67Å; S851-C855 PolarHBondContact O-SG 3.01Å; S851-C855 VanDerWaalsContact O-SG 3.41Å
852	R	74.7	Confident	69.7	Low	112 Å²	112	69.7 Å²	69.7	42%	0.423	40%	0.395	S	S	.	.	H	α-helix	trans	-64.8	-40.5	176	-69	166.2	178.6	-162.6	-0.4	112.1	E848 E849 R850 E854 C855 F856	E848-R852 WeakPolarHBondContact O-CG 3.4Å; E848-R852 PolarHBondContact O-N 3.19Å; E848-R852 IonicContact OE1-CZ 2.61Å; E848-R852 VanDerWaalsContact OE1-CZ 3.28Å; E848-R852 IonicContact OE1-NE 2.66Å; E848-R852 PolarHBondContact OE1-NE 3.49Å; E848-R852 IonicContact OE1-NH2 2.66Å; E848-R852 PolarHBondContact OE1-NH2 3.47Å; E848-R852 IonicContact OE2-NH2 2.67Å; E849-R852 PolarHBondContact O-N 2.81Å; E849-R852 WeakPolarHBondContact OE1-CD 3.44Å; E849-R852 IonicContact OE1-CZ 2.65Å; E849-R852 IonicContact OE1-NE 2.82Å; E849-R852 IonicContact OE1-NH1 3.51Å; E849-R852 PolarHBondContact OE1-NH1 3.48Å; R850-R852 VanDerWaalsContact C-N 3.28Å; R850-R852 PolarHBondContact O-N 3.22Å; R852-E854 VanDerWaalsContact C-N 3.34Å; R852-C855 WeakPolarHBondContact O-CB 3.48Å; R852-C855 PolarHBondContact O-N 2.93Å; R852-F856 VanDerWaalsContact O-CD2 3.27Å; R852-F856 WeakPolarHBondContact O-CD2 3.48Å
853	A	68.9	Low	70.4	Confident	7 Å²	7	71.2 Å²	71.2	6%	0.058	40%	0.404	C	S	.	.	H	α-helix	trans	-68.5	-30.1	175.6	0	0	0	0	0	113.3	K245 H248 I252 E849 R850 F856	K245-A853 WeakPolarHBondContact CE-O 3.47Å; H248-A853 HydrophobicContact CB-CB 4.21Å; I252-A853 HydrophobicContact CD1-CB 4.35Å; E849-A853 WeakPolarHBondContact O-CB 3.48Å; E849-A853 PolarHBondContact O-N 3.49Å; R850-A853 PolarHBondContact O-N 3.47Å; R850-A853 VanDerWaalsContact O-N 3.08Å; A853-F856 PolarHBondContact O-N 2.84Å
854	E	71.3	Confident	71.1	Confident	140 Å²	140	69.5 Å²	69.5	65%	0.654	40%	0.395	S	S	*	.	H	α-helix	trans	-72.5	-30.7	176.8	-76.1	176.4	-173.8	0	0	113.1	R850 S851 R852 F856 T857	R850-E854 WeakPolarHBondContact O-CG 3.17Å; R850-E854 PolarHBondContact O-N 3.44Å; S851-E854 PolarHBondContact O-N 3.14Å; R852-E854 VanDerWaalsContact C-N 3.34Å; E854-F856 PolarHBondContact O-N 3.44Å; E854-F856 VanDerWaalsContact O-N 3.13Å; E854-T857 WeakPolarHBondContact O-CG2 3.35Å
855	C	70.2	Confident	71.7	Confident	102 Å²	102	72.6 Å²	72.6	69%	0.689	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.5	170.3	-68.7	0	0	0	0	113	S851 R852 T857	S851-C855 PolarHBondContact O-N 2.67Å; S851-C855 PolarHBondContact O-SG 3.01Å; S851-C855 VanDerWaalsContact O-SG 3.41Å; R852-C855 WeakPolarHBondContact O-CB 3.48Å; R852-C855 PolarHBondContact O-N 2.93Å; C855-T857 VanDerWaalsContact C-N 3.25Å; C855-T857 PolarHBondContact O-N 2.82Å
856	F	68	Low	72.2	Confident	56 Å²	56	72 Å²	72	25%	0.246	40%	0.396	C	S	.	.	S	Bend	trans	-81.3	65.1	176.5	-65	-82.9	0	0	0	112.1	K245 H248 R852 A853 E854 L859	K245-F856 HydrophobicContact CB-CB 4.2Å; K245-F856 HydrophobicContact CB-CD2 4.46Å; K245-F856 HydrophobicContact CB-CG 4.28Å; K245-F856 HydrophobicContact CD-CB 3.76Å; K245-F856 HydrophobicContact CG-CB 4.06Å; K245-F856 PolarHBondContact NZ-O 3.43Å; H248-F856 AromaticContact CD2-CE2 3.95Å; R852-F856 VanDerWaalsContact O-CD2 3.27Å; R852-F856 WeakPolarHBondContact O-CD2 3.48Å; A853-F856 PolarHBondContact O-N 2.84Å; E854-F856 PolarHBondContact O-N 3.44Å; E854-F856 VanDerWaalsContact O-N 3.13Å; F856-L859 HydrophobicContact CB-CD1 4.45Å; F856-L859 HydrophobicContact CD1-CD1 4.46Å
857	T	60.1	Low	72.8	Confident	115 Å²	115	73.9 Å²	73.9	71%	0.706	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	156.9	175.7	58	0	0	0	0	112.7	E854 C855 L859	E854-T857 WeakPolarHBondContact O-CG2 3.35Å; C855-T857 VanDerWaalsContact C-N 3.25Å; C855-T857 PolarHBondContact O-N 2.82Å; T857-L859 VanDerWaalsContact C-N 3.29Å; T857-L859 PolarHBondContact O-N 3.48Å; T857-L859 VanDerWaalsContact O-N 3.13Å
858	G	60.8	Low	73.4	Confident	82 Å²	82	73 Å²	73	85%	0.845	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	-11.8	171.7	0	0	0	0	0	117.9
859	L	65.4	Low	73.9	Confident	38 Å²	38	74.8 Å²	74.8	20%	0.199	40%	0.401	C	S	.	.			trans	-86.1	131.2	-179.5	-64.3	172.9	0	0	0	112.6	D238 R241 F856 T857	D238-L859 HydrophobicContact CB-CD2 4.28Å; R241-L859 HydrophobicContact CB-CD1 3.74Å; F856-L859 HydrophobicContact CB-CD1 4.45Å; F856-L859 HydrophobicContact CD1-CD1 4.46Å; T857-L859 VanDerWaalsContact C-N 3.29Å; T857-L859 PolarHBondContact O-N 3.48Å; T857-L859 VanDerWaalsContact O-N 3.13Å
860	S	67.9	Low	74.4	Confident	60 Å²	60	76.9 Å²	76.9	42%	0.42	41%	0.408	S	S	.	.			trans	-140.2	162	179.9	59.2	0	0	0	0	112.1	S862 V863	S860-S862 PolarHBondContact O-N 3.4Å; S860-S862 PolarHBondContact OG-OG 3.22Å; S860-V863 WeakPolarHBondContact O-CB 3.35Å; S860-V863 WeakPolarHBondContact O-CG2 3.49Å; S860-V863 PolarHBondContact O-N 2.89Å; S860-V863 VanDerWaalsContact O-N 3.11Å
861	E	75.9	Confident	75.1	Confident	127 Å²	127	75.2 Å²	75.2	59%	0.593	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.2	-173.1	-172.7	161.8	-148.8	0	0	113.9	Y242 V863 V864 E865	Y242-E861 HydrophobicContact CE2-CB 4.36Å; E861-V863 PolarHBondContact O-N 3.4Å; E861-V863 VanDerWaalsContact O-N 3.1Å; E861-V864 WeakPolarHBondContact O-CA 3.22Å; E861-V864 WeakPolarHBondContact O-CB 3.34Å; E861-V864 PolarHBondContact O-N 3.37Å; E861-E865 PolarHBondContact O-N 3.15Å; E861-E865 VanDerWaalsContact O-N 3.12Å
862	S	74.4	Confident	75.9	Confident	63 Å²	63	78.6 Å²	78.6	44%	0.441	41%	0.413	S	S	.	.	H	α-helix	trans	-58.5	-22.5	174.7	63.9	0	0	0	0	113.9	S860 V864 E866	S860-S862 PolarHBondContact O-N 3.4Å; S860-S862 PolarHBondContact OG-OG 3.22Å; S862-V864 VanDerWaalsContact C-N 3.34Å; S862-E866 VanDerWaalsContact O-CB 3.31Å; S862-E866 WeakPolarHBondContact O-CB 3.28Å; S862-E866 PolarHBondContact O-N 2.73Å
863	V	78.4	Confident	76.5	Confident	32 Å²	32	78.2 Å²	78.2	19%	0.194	42%	0.416	C	S	.	.	H	α-helix	trans	-67.5	-36.9	173.2	-178.9	0	0	0	0	110.9	D238 V239 S860 E861 Y867	D238-V863 HydrophobicContact CB-CG1 4.35Å; V239-V863 HydrophobicContact CG2-CG1 4.1Å; S860-V863 WeakPolarHBondContact O-CB 3.35Å; S860-V863 WeakPolarHBondContact O-CG2 3.49Å; S860-V863 PolarHBondContact O-N 2.89Å; S860-V863 VanDerWaalsContact O-N 3.11Å; E861-V863 PolarHBondContact O-N 3.4Å; E861-V863 VanDerWaalsContact O-N 3.1Å; V863-Y867 WeakPolarHBondContact O-CB 3.35Å; V863-Y867 PolarHBondContact O-N 3.39Å
864	V	79.5	Confident	77.6	Confident	14 Å²	14	78.7 Å²	78.7	9%	0.085	42%	0.417	C	S	.	.	H	α-helix	trans	-75.9	-40.9	176.1	-175.6	0	0	0	0	110.5	V239 Y242 E861 S862 E866 Y867 N868	V239-V864 HydrophobicContact CG1-CG2 4.49Å; Y242-V864 HydrophobicContact CD1-CG2 3.42Å; Y242-V864 VanDerWaalsContact CD1-CG2 3.42Å; Y242-V864 HydrophobicContact CD2-CG2 4.39Å; Y242-V864 HydrophobicContact CE1-CG2 3.65Å; Y242-V864 HydrophobicContact CG-CG2 3.85Å; E861-V864 WeakPolarHBondContact O-CA 3.22Å; E861-V864 WeakPolarHBondContact O-CB 3.34Å; E861-V864 PolarHBondContact O-N 3.37Å; S862-V864 VanDerWaalsContact C-N 3.34Å; V864-E866 PolarHBondContact O-N 2.8Å; V864-Y867 PolarHBondContact O-N 2.98Å; V864-N868 WeakPolarHBondContact O-CB 3.2Å; V864-N868 PolarHBondContact O-N 2.77Å; V864-N868 PolarHBondContact O-ND2 2.85Å
865	E	80.3	Confident	78.6	Confident	125 Å²	125	77.1 Å²	77.1	58%	0.584	41%	0.408	S	S	*	.	H	α-helix	trans	-59.8	-44.5	172.8	-62.4	-171.6	131.7	0	0	112.1	E861 N868 R869	E861-E865 PolarHBondContact O-N 3.15Å; E861-E865 VanDerWaalsContact O-N 3.12Å; E865-N868 PolarHBondContact O-N 3.16Å; E865-R869 VanDerWaalsContact O-CB 3.27Å; E865-R869 WeakPolarHBondContact O-CB 3.43Å; E865-R869 PolarHBondContact O-N 3.19Å
866	E	81.1	Confident	79.5	Confident	57 Å²	57	77.9 Å²	77.9	27%	0.266	40%	0.401	S	S	.	.	H	α-helix	trans	-65.8	-41.7	176.2	172.2	151.1	-124.8	0	0	111.9	S862 V864 R869 R870	S862-E866 VanDerWaalsContact O-CB 3.31Å; S862-E866 WeakPolarHBondContact O-CB 3.28Å; S862-E866 PolarHBondContact O-N 2.73Å; V864-E866 PolarHBondContact O-N 2.8Å; E866-R869 PolarHBondContact O-N 3.13Å; E866-R869 IonicContact OE1-CZ 2.74Å; E866-R869 IonicContact OE1-NH2 3.02Å; E866-R869 PolarHBondContact OE1-NH2 2.57Å; E866-R870 VanDerWaalsContact CD-NE 3.31Å; E866-R870 HydrophobicContact CG-CG 4.22Å; E866-R870 VanDerWaalsContact CG-NE 3.32Å; E866-R870 WeakPolarHBondContact O-CB 3.4Å; E866-R870 VanDerWaalsContact O-CG 3.29Å; E866-R870 WeakPolarHBondContact O-CG 3.45Å; E866-R870 PolarHBondContact O-N 3.44Å; E866-R870 IonicContact OE1-CZ 3.38Å; E866-R870 VanDerWaalsContact OE1-CZ 3.28Å; E866-R870 IonicContact OE1-NE 2.76Å; E866-R870 PolarHBondContact OE1-NE 2.66Å; E866-R870 IonicContact OE1-NH2 2.75Å; E866-R870 PolarHBondContact OE1-NH2 3.43Å; E866-R870 IonicContact OE2-CZ 2.87Å; E866-R870 IonicContact OE2-NE 2.67Å; E866-R870 IonicContact OE2-NH2 2.65Å; E866-R870 PolarHBondContact OE2-NH2 2.88Å
867	Y	85.6	Confident	80.6	Confident	42 Å²	42	76.6 Å²	76.6	17%	0.165	40%	0.397	C	S	.	.	H	α-helix	trans	-59.2	-47.4	174.5	178.2	-96	0	0	0	111.6	N232 N235 K236 V239 V863 V864 R869 R870 E871	N232-Y867 VanDerWaalsContact ND2-CE2 3.3Å; N232-Y867 WeakPolarHBondContact ND2-CE2 3.44Å; N232-Y867 VanDerWaalsContact OD1-CD2 3.31Å; N232-Y867 WeakPolarHBondContact OD1-CD2 3.4Å; N235-Y867 HydrophobicContact CB-CD2 4.19Å; K236-Y867 HydrophobicContact CB-CE2 3.87Å; K236-Y867 HydrophobicContact CG-CE2 4.28Å; V239-Y867 HydrophobicContact CG2-CD1 4.42Å; V239-Y867 HydrophobicContact CG2-CD2 4.14Å; V239-Y867 HydrophobicContact CG2-CG 3.82Å; V863-Y867 WeakPolarHBondContact O-CB 3.35Å; V863-Y867 PolarHBondContact O-N 3.39Å; V864-Y867 PolarHBondContact O-N 2.98Å; Y867-R869 PolarHBondContact O-N 3.33Å; Y867-R870 PolarHBondContact O-N 3.11Å; Y867-E871 WeakPolarHBondContact O-CB 3.33Å; Y867-E871 PolarHBondContact O-N 2.74Å
868	N	84	Confident	82.1	Confident	72 Å²	72	74.6 Å²	74.6	39%	0.385	38%	0.38	S	S	.	.	H	α-helix	trans	-63.9	-40.9	178.1	-69.2	-17.8	0	0	0	111.8	V864 E865 E871 Q872	V864-N868 WeakPolarHBondContact O-CB 3.2Å; V864-N868 PolarHBondContact O-N 2.77Å; V864-N868 PolarHBondContact O-ND2 2.85Å; E865-N868 PolarHBondContact O-N 3.16Å; N868-E871 PolarHBondContact O-N 3.23Å; N868-Q872 WeakPolarHBondContact O-CG 3.03Å; N868-Q872 PolarHBondContact O-N 2.63Å
869	R	85.3	Confident	83.7	Confident	136 Å²	136	77.6 Å²	77.6	51%	0.513	37%	0.37	S	S	.	.	H	α-helix	trans	-60.8	-47.1	174.2	179.9	178	67.1	-131.8	4.2	111.6	E865 E866 Y867 E871 Q872 E873	E865-R869 VanDerWaalsContact O-CB 3.27Å; E865-R869 WeakPolarHBondContact O-CB 3.43Å; E865-R869 PolarHBondContact O-N 3.19Å; E866-R869 PolarHBondContact O-N 3.13Å; E866-R869 IonicContact OE1-CZ 2.74Å; E866-R869 IonicContact OE1-NH2 3.02Å; E866-R869 PolarHBondContact OE1-NH2 2.57Å; Y867-R869 PolarHBondContact O-N 3.33Å; R869-E871 VanDerWaalsContact C-N 3.32Å; R869-E871 PolarHBondContact O-N 2.95Å; R869-Q872 PolarHBondContact O-N 3.4Å; R869-E873 PolarHBondContact O-N 3.21Å
870	R	85.3	Confident	84.8	Confident	66 Å²	66	77.7 Å²	77.7	25%	0.249	37%	0.369	C	S	.	.	H	α-helix	trans	-66.9	-32.1	176.9	-71.7	175.2	-176.6	-170.2	6.4	112.2	N232 N235 E866 Y867 E873 I874	N232-R870 WeakPolarHBondContact OD1-CB 3.32Å; N235-R870 PolarHBondContact ND2-NH1 2.76Å; N235-R870 PolarHBondContact OD1-NH1 3.35Å; E866-R870 VanDerWaalsContact CD-NE 3.31Å; E866-R870 HydrophobicContact CG-CG 4.22Å; E866-R870 VanDerWaalsContact CG-NE 3.32Å; E866-R870 WeakPolarHBondContact O-CB 3.4Å; E866-R870 VanDerWaalsContact O-CG 3.29Å; E866-R870 WeakPolarHBondContact O-CG 3.45Å; E866-R870 PolarHBondContact O-N 3.44Å; E866-R870 IonicContact OE1-CZ 3.38Å; E866-R870 VanDerWaalsContact OE1-CZ 3.28Å; E866-R870 IonicContact OE1-NE 2.76Å; E866-R870 PolarHBondContact OE1-NE 2.66Å; E866-R870 IonicContact OE1-NH2 2.75Å; E866-R870 PolarHBondContact OE1-NH2 3.43Å; E866-R870 IonicContact OE2-CZ 2.87Å; E866-R870 IonicContact OE2-NE 2.67Å; E866-R870 IonicContact OE2-NH2 2.65Å; E866-R870 PolarHBondContact OE2-NH2 2.88Å; Y867-R870 PolarHBondContact O-N 3.11Å; R870-E873 PolarHBondContact O-N 3.18Å; R870-I874 WeakPolarHBondContact O-CB 3.39Å; R870-I874 VanDerWaalsContact O-CG1 3.24Å; R870-I874 WeakPolarHBondContact O-CG1 3.45Å; R870-I874 PolarHBondContact O-N 3.34Å
871	E	88.2	Confident	86	Confident	67 Å²	67	76.1 Å²	76.1	31%	0.313	36%	0.356	S	S	.	.	H	α-helix	trans	-69	-39.4	174.9	-158.2	-130.9	-173.8	0	0	111.8	Y867 N868 R869 I874 K875	Y867-E871 WeakPolarHBondContact O-CB 3.33Å; Y867-E871 PolarHBondContact O-N 2.74Å; N868-E871 PolarHBondContact O-N 3.23Å; R869-E871 VanDerWaalsContact C-N 3.32Å; R869-E871 PolarHBondContact O-N 2.95Å; E871-I874 PolarHBondContact O-N 3.32Å; E871-K875 VanDerWaalsContact CD-CE 3.48Å; E871-K875 WeakPolarHBondContact O-CG 3.09Å; E871-K875 PolarHBondContact O-N 3.27Å; E871-K875 WeakPolarHBondContact OE1-CE 3.03Å; E871-K875 IonicContact OE1-NZ 2.66Å; E871-K875 PolarHBondContact OE1-NZ 3.05Å; E871-K875 IonicContact OE2-NZ 2.69Å; E871-K875 PolarHBondContact OE2-NZ 3.21Å
872	Q	88.2	Confident	86.8	Confident	137 Å²	137	75.2 Å²	75.2	64%	0.64	35%	0.351	S	S	*	.	H	α-helix	trans	-65.3	-40.3	170.6	-69.1	176.5	15.9	0	0	112.2	N868 R869 K875 H876	N868-Q872 WeakPolarHBondContact O-CG 3.03Å; N868-Q872 PolarHBondContact O-N 2.63Å; R869-Q872 PolarHBondContact O-N 3.4Å; Q872-K875 PolarHBondContact O-N 3.04Å; Q872-H876 PolarHBondContact O-N 3.34Å
873	E	88.4	Confident	87.7	Confident	105 Å²	105	77 Å²	77	49%	0.491	35%	0.351	S	S	.	.	H	α-helix	trans	-62.8	-43.4	174.5	-171.9	177.4	-166.7	0	0	111.5	R869 R870 H876 L877	R869-E873 PolarHBondContact O-N 3.21Å; R870-E873 PolarHBondContact O-N 3.18Å; E873-H876 WeakPolarHBondContact O-CB 3.21Å; E873-H876 PolarHBondContact O-N 3.09Å; E873-L877 HydrophobicContact CG-CD1 4.16Å; E873-L877 WeakPolarHBondContact O-CB 3.27Å; E873-L877 VanDerWaalsContact O-CG 3.29Å; E873-L877 WeakPolarHBondContact O-CG 3.28Å; E873-L877 PolarHBondContact O-N 3.07Å
874	I	91.4	Very high	88.3	Confident	17 Å²	17	79.1 Å²	79.1	9%	0.087	36%	0.358	C	S	.	.	H	α-helix	trans	-59.2	-47.8	173.1	-76.3	165.7	0	0	0	110.8	L225 A228 K229 N232 R870 E871 H876 L877 E878	L225-I874 HydrophobicContact CD1-CG2 4.02Å; A228-I874 HydrophobicContact CB-CD1 4.43Å; A228-I874 HydrophobicContact CB-CG1 4.03Å; K229-I874 HydrophobicContact CG-CD1 4.28Å; K229-I874 HydrophobicContact CG-CG2 4.12Å; N232-I874 HydrophobicContact CB-CD1 3.69Å; R870-I874 WeakPolarHBondContact O-CB 3.39Å; R870-I874 VanDerWaalsContact O-CG1 3.24Å; R870-I874 WeakPolarHBondContact O-CG1 3.45Å; R870-I874 PolarHBondContact O-N 3.34Å; E871-I874 PolarHBondContact O-N 3.32Å; I874-H876 VanDerWaalsContact C-N 3.26Å; I874-H876 PolarHBondContact O-N 3.05Å; I874-L877 PolarHBondContact O-N 3.45Å; I874-L877 VanDerWaalsContact O-N 3.15Å; I874-E878 HydrophobicContact CG2-CG 4.5Å; I874-E878 WeakPolarHBondContact O-CG 3.29Å; I874-E878 PolarHBondContact O-N 3.25Å
875	K	91.3	Very high	88.9	Confident	106 Å²	106	80.3 Å²	80.3	46%	0.461	37%	0.365	S	S	.	.	H	α-helix	trans	-61.5	-33.2	176.2	-73.8	166.1	179.2	168.2	0	112.6	E871 Q872 K879	E871-K875 VanDerWaalsContact CD-CE 3.48Å; E871-K875 WeakPolarHBondContact O-CG 3.09Å; E871-K875 PolarHBondContact O-N 3.27Å; E871-K875 WeakPolarHBondContact OE1-CE 3.03Å; E871-K875 IonicContact OE1-NZ 2.66Å; E871-K875 PolarHBondContact OE1-NZ 3.05Å; E871-K875 IonicContact OE2-NZ 2.69Å; E871-K875 PolarHBondContact OE2-NZ 3.21Å; Q872-K875 PolarHBondContact O-N 3.04Å; K875-K879 WeakPolarHBondContact O-CB 3.22Å; K875-K879 PolarHBondContact O-N 3.15Å; K875-K879 VanDerWaalsContact O-N 3.16Å
876	H	90.6	Very high	89.5	Confident	118 Å²	118	78.1 Å²	78.1	55%	0.546	36%	0.357	S	S	.	.	H	α-helix	trans	-70.1	-45	172.8	-174.1	79.1	0	0	0	111.9	Q872 E873 I874 E878 K879 E880	Q872-H876 PolarHBondContact O-N 3.34Å; E873-H876 WeakPolarHBondContact O-CB 3.21Å; E873-H876 PolarHBondContact O-N 3.09Å; I874-H876 VanDerWaalsContact C-N 3.26Å; I874-H876 PolarHBondContact O-N 3.05Å; H876-E878 VanDerWaalsContact C-N 3.35Å; H876-E878 PolarHBondContact O-N 3.26Å; H876-K879 PolarHBondContact O-N 2.9Å; H876-E880 WeakPolarHBondContact O-CB 3.43Å; H876-E880 PolarHBondContact O-N 3.4Å
877	L	91	Very high	89.9	Confident	29 Å²	29	78.2 Å²	78.2	15%	0.152	37%	0.365	C	S	.	.	H	α-helix	trans	-63.1	-37.8	176.6	-71.1	166.1	0	0	0	112.2	F224 L225 A228 E873 I874 E880 L881	F224-L877 HydrophobicContact CD1-CD1 3.99Å; F224-L877 HydrophobicContact CD1-CD2 4.16Å; F224-L877 HydrophobicContact CE1-CD1 3.81Å; F224-L877 HydrophobicContact CE1-CD2 4.23Å; L225-L877 HydrophobicContact CD1-CB 3.97Å; A228-L877 HydrophobicContact CB-CD1 4.5Å; E873-L877 HydrophobicContact CG-CD1 4.16Å; E873-L877 WeakPolarHBondContact O-CB 3.27Å; E873-L877 VanDerWaalsContact O-CG 3.29Å; E873-L877 WeakPolarHBondContact O-CG 3.28Å; E873-L877 PolarHBondContact O-N 3.07Å; I874-L877 PolarHBondContact O-N 3.45Å; I874-L877 VanDerWaalsContact O-N 3.15Å; L877-E880 PolarHBondContact O-N 3.02Å; L877-L881 VanDerWaalsContact O-CB 3.29Å; L877-L881 WeakPolarHBondContact O-CB 3.43Å; L877-L881 PolarHBondContact O-N 3.38Å
878	E	91.9	Very high	90.2	Very high	73 Å²	73	76.7 Å²	76.7	34%	0.341	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-49.6	171.5	-76.2	175.2	147.2	0	0	111.6	L225 K229 I874 H876 E880 L881 Q882	L225-E878 HydrophobicContact CD1-CG 3.89Å; L225-E878 HydrophobicContact CD2-CG 3.72Å; L225-E878 HydrophobicContact CG-CG 4.44Å; K229-E878 WeakPolarHBondContact CE-OE1 3.45Å; K229-E878 IonicContact NZ-OE1 3.19Å; K229-E878 PolarHBondContact NZ-OE1 3.49Å; I874-E878 HydrophobicContact CG2-CG 4.5Å; I874-E878 WeakPolarHBondContact O-CG 3.29Å; I874-E878 PolarHBondContact O-N 3.25Å; H876-E878 VanDerWaalsContact C-N 3.35Å; H876-E878 PolarHBondContact O-N 3.26Å; E878-E880 VanDerWaalsContact C-N 3.28Å; E878-E880 PolarHBondContact O-N 3.09Å; E878-L881 PolarHBondContact O-N 2.87Å; E878-Q882 WeakPolarHBondContact O-CB 3.34Å; E878-Q882 PolarHBondContact O-N 2.87Å
879	K	92.8	Very high	90.5	Very high	146 Å²	146	77.1 Å²	77.1	64%	0.635	36%	0.362	S	S	*	.	H	α-helix	trans	-64.4	-34	178.3	-167.6	169.4	-172	169.9	0	112.3	K875 H876 K883	K875-K879 WeakPolarHBondContact O-CB 3.22Å; K875-K879 PolarHBondContact O-N 3.15Å; K875-K879 VanDerWaalsContact O-N 3.16Å; H876-K879 PolarHBondContact O-N 2.9Å; K879-K883 VanDerWaalsContact O-CG 3.32Å; K879-K883 WeakPolarHBondContact O-CG 3.42Å; K879-K883 PolarHBondContact O-N 3.34Å
880	E	90.4	Very high	90.8	Very high	40 Å²	40	73 Å²	73	19%	0.187	36%	0.357	C	S	.	.	H	α-helix	trans	-72.7	-36.6	173.9	-88.3	-65.3	117.2	0	0	113.4	K221 H876 L877 E878 K883 K884	K221-E880 IonicContact NZ-OE2 2.69Å; K221-E880 PolarHBondContact NZ-OE2 3.42Å; H876-E880 WeakPolarHBondContact O-CB 3.43Å; H876-E880 PolarHBondContact O-N 3.4Å; L877-E880 PolarHBondContact O-N 3.02Å; E878-E880 VanDerWaalsContact C-N 3.28Å; E878-E880 PolarHBondContact O-N 3.09Å; E880-K883 WeakPolarHBondContact OE1-CD 3.4Å; E880-K883 IonicContact OE1-NZ 2.87Å; E880-K883 PolarHBondContact OE1-NZ 3.24Å; E880-K884 WeakPolarHBondContact O-CG 3.46Å; E880-K884 PolarHBondContact O-N 3.13Å
881	L	92.8	Very high	91	Very high	27 Å²	27	71.7 Å²	71.7	14%	0.141	35%	0.352	C	S	.	.	H	α-helix	trans	-66	-47.7	172.9	179.7	61.4	0	0	0	110.1	V218 K221 A222 L225 L877 E878 K883 K884 T885	V218-L881 HydrophobicContact CG1-CD1 4.02Å; V218-L881 WeakPolarHBondContact O-CD1 3.4Å; K221-L881 HydrophobicContact CB-CD1 3.93Å; A222-L881 HydrophobicContact CB-CD1 4.28Å; A222-L881 HydrophobicContact CB-CD2 4.13Å; L225-L881 HydrophobicContact CD2-CD2 3.71Å; L877-L881 VanDerWaalsContact O-CB 3.29Å; L877-L881 WeakPolarHBondContact O-CB 3.43Å; L877-L881 PolarHBondContact O-N 3.38Å; E878-L881 PolarHBondContact O-N 2.87Å; L881-K883 PolarHBondContact O-N 2.9Å; L881-K884 PolarHBondContact O-N 3.36Å; L881-T885 PolarHBondContact O-N 2.94Å; L881-T885 PolarHBondContact O-OG1 3.43Å
882	Q	92.9	Very high	91.1	Very high	107 Å²	107	73.2 Å²	73.2	50%	0.5	36%	0.355	S	S	.	.	H	α-helix	trans	-55.7	-53	178.8	-171.4	61.2	46.6	0	0	111.3	E878 K884 T885 D886	E878-Q882 WeakPolarHBondContact O-CB 3.34Å; E878-Q882 PolarHBondContact O-N 2.87Å; Q882-K884 PolarHBondContact O-N 2.94Å; Q882-K884 VanDerWaalsContact O-N 3.11Å; Q882-T885 CarbonylContact O-C 3.59Å; Q882-T885 WeakPolarHBondContact O-CB 3.42Å; Q882-T885 PolarHBondContact O-N 3.08Å; Q882-D886 PolarHBondContact NE2-OD1 3.19Å; Q882-D886 PolarHBondContact O-N 3.04Å; Q882-D886 VanDerWaalsContact O-OD2 3.14Å
883	K	92.5	Very high	91.1	Very high	100 Å²	100	72.6 Å²	72.6	44%	0.435	35%	0.352	S	S	.	.	H	α-helix	trans	-51.5	-38.1	174.9	-72.7	173.9	-165.6	171.7	0	113.3	K879 E880 L881 S887	K879-K883 VanDerWaalsContact O-CG 3.32Å; K879-K883 WeakPolarHBondContact O-CG 3.42Å; K879-K883 PolarHBondContact O-N 3.34Å; E880-K883 WeakPolarHBondContact OE1-CD 3.4Å; E880-K883 IonicContact OE1-NZ 2.87Å; E880-K883 PolarHBondContact OE1-NZ 3.24Å; L881-K883 PolarHBondContact O-N 2.9Å; K883-S887 WeakPolarHBondContact O-CB 3.26Å; K883-S887 PolarHBondContact O-N 2.82Å; K883-S887 PolarHBondContact O-OG 2.93Å
884	K	90.9	Very high	91.1	Very high	77 Å²	77	71.6 Å²	71.6	34%	0.335	35%	0.35	S	S	.	.	H	α-helix	trans	-76	-37.5	-178.9	-71	-69.3	-179.5	-178.2	0	111.7	V218 E880 L881 Q882 S887 L888	V218-K884 HydrophobicContact CG2-CB 3.89Å; E880-K884 WeakPolarHBondContact O-CG 3.46Å; E880-K884 PolarHBondContact O-N 3.13Å; L881-K884 PolarHBondContact O-N 3.36Å; Q882-K884 PolarHBondContact O-N 2.94Å; Q882-K884 VanDerWaalsContact O-N 3.11Å; K884-S887 PolarHBondContact O-N 2.77Å; K884-L888 WeakPolarHBondContact O-CB 2.83Å; K884-L888 PolarHBondContact O-N 2.92Å
885	T	92.5	Very high	91	Very high	39 Å²	39	71.2 Å²	71.2	24%	0.239	35%	0.348	C	S	.	.	H	α-helix	trans	-62.8	-45.7	169.3	-55.9	0	0	0	0	111.4	L881 Q882 S887 L888 N889	L881-T885 PolarHBondContact O-N 2.94Å; L881-T885 PolarHBondContact O-OG1 3.43Å; Q882-T885 CarbonylContact O-C 3.59Å; Q882-T885 WeakPolarHBondContact O-CB 3.42Å; Q882-T885 PolarHBondContact O-N 3.08Å; T885-S887 VanDerWaalsContact C-N 3.32Å; T885-S887 PolarHBondContact O-N 3.02Å; T885-L888 PolarHBondContact O-N 3.08Å; T885-N889 WeakPolarHBondContact O-CB 3.44Å; T885-N889 VanDerWaalsContact O-CG 3.26Å; T885-N889 PolarHBondContact O-N 3.07Å; T885-N889 PolarHBondContact O-ND2 3.1Å
886	D	92.1	Very high	90.8	Very high	79 Å²	79	69.1 Å²	69.1	42%	0.422	35%	0.347	S	S	.	.	H	α-helix	trans	-60.1	-43.1	175.5	-57.1	-29.3	0	0	0	111	Q882 N889 A890	Q882-D886 PolarHBondContact NE2-OD1 3.19Å; Q882-D886 PolarHBondContact O-N 3.04Å; Q882-D886 VanDerWaalsContact O-OD2 3.14Å; D886-N889 PolarHBondContact O-N 3.38Å; D886-A890 WeakPolarHBondContact O-CB 3.37Å; D886-A890 PolarHBondContact O-N 3.26Å
887	S	89.6	Confident	90.7	Very high	60 Å²	60	67.2 Å²	67.2	42%	0.42	34%	0.338	S	S	.	.	H	α-helix	trans	-62.8	-41.4	175.6	-58.8	0	0	0	0	112.3	K883 K884 T885 Y891	K883-S887 WeakPolarHBondContact O-CB 3.26Å; K883-S887 PolarHBondContact O-N 2.82Å; K883-S887 PolarHBondContact O-OG 2.93Å; K884-S887 PolarHBondContact O-N 2.77Å; T885-S887 VanDerWaalsContact C-N 3.32Å; T885-S887 PolarHBondContact O-N 3.02Å; S887-Y891 VanDerWaalsContact O-CB 3.31Å; S887-Y891 WeakPolarHBondContact O-CB 3.42Å; S887-Y891 PolarHBondContact O-N 3Å
888	L	91.6	Very high	90.5	Very high	10 Å²	10	66.5 Å²	66.5	5%	0.052	34%	0.336	C	S	.	.	H	α-helix	trans	-65.9	-42.7	176.4	174.4	64.4	0	0	0	111.2	E211 L214 E215 V218 K884 T885 Y891 R892	E211-L888 HydrophobicContact CG-CD1 3.96Å; L214-L888 HydrophobicContact CB-CD1 3.82Å; E215-L888 HydrophobicContact CG-CD1 4.07Å; E215-L888 HydrophobicContact CG-CD2 4.01Å; V218-L888 HydrophobicContact CG2-CD2 4.3Å; K884-L888 WeakPolarHBondContact O-CB 2.83Å; K884-L888 PolarHBondContact O-N 2.92Å; T885-L888 PolarHBondContact O-N 3.08Å; L888-Y891 PolarHBondContact O-N 2.98Å; L888-R892 WeakPolarHBondContact O-CG 3.26Å; L888-R892 PolarHBondContact O-N 2.57Å
889	N	91.4	Very high	90.4	Very high	81 Å²	81	64.8 Å²	64.8	43%	0.433	33%	0.328	S	S	.	.	H	α-helix	trans	-66.1	-43.3	178.6	-70.1	-19.3	0	0	0	111.9	T885 D886 Y891 R892 Q893	T885-N889 WeakPolarHBondContact O-CB 3.44Å; T885-N889 VanDerWaalsContact O-CG 3.26Å; T885-N889 PolarHBondContact O-N 3.07Å; T885-N889 PolarHBondContact O-ND2 3.1Å; D886-N889 PolarHBondContact O-N 3.38Å; N889-Y891 VanDerWaalsContact C-N 3.3Å; N889-Y891 PolarHBondContact O-N 3.4Å; N889-R892 PolarHBondContact O-N 3.02Å; N889-Q893 PolarHBondContact O-N 2.95Å
890	A	90.3	Very high	90.2	Very high	50 Å²	50	63.3 Å²	63.3	41%	0.413	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-37.5	172.2	0	0	0	0	0	112	D886 Q893 N894	D886-A890 WeakPolarHBondContact O-CB 3.37Å; D886-A890 PolarHBondContact O-N 3.26Å; A890-Q893 PolarHBondContact O-N 3.21Å; A890-N894 PolarHBondContact O-N 3.39Å; A890-N894 VanDerWaalsContact O-N 3.13Å; A890-N894 PolarHBondContact O-OD1 3.48Å
891	Y	90.2	Very high	90.1	Very high	38 Å²	38	68.5 Å²	68.5	15%	0.149	34%	0.341	C	S	.	.	H	α-helix	trans	-67.4	-39	176.2	-161.7	-114.5	0	0	0	112.4	F207 K210 E211 L214 S887 L888 N889 N894 I895	F207-Y891 HydrophobicContact CB-CE1 4.47Å; F207-Y891 WeakPolarHBondContact CD1-OH 3.49Å; K210-Y891 HydrophobicContact CB-CE1 4.01Å; K210-Y891 HydrophobicContact CG-CE1 4.22Å; E211-Y891 HydrophobicContact CB-CD1 4.45Å; L214-Y891 HydrophobicContact CD1-CD1 3.9Å; L214-Y891 HydrophobicContact CD1-CG 4.1Å; S887-Y891 VanDerWaalsContact O-CB 3.31Å; S887-Y891 WeakPolarHBondContact O-CB 3.42Å; S887-Y891 PolarHBondContact O-N 3Å; L888-Y891 PolarHBondContact O-N 2.98Å; N889-Y891 VanDerWaalsContact C-N 3.3Å; N889-Y891 PolarHBondContact O-N 3.4Å; Y891-N894 WeakPolarHBondContact O-CB 3.31Å; Y891-N894 PolarHBondContact O-N 3.09Å; Y891-I895 HydrophobicContact CD1-CD1 3.91Å; Y891-I895 HydrophobicContact CE1-CD1 3.94Å; Y891-I895 WeakPolarHBondContact O-CG1 3.41Å; Y891-I895 PolarHBondContact O-N 3.27Å
892	R	90	Very high	90	Very high	99 Å²	99	67.2 Å²	67.2	37%	0.374	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-39	171.8	-79.8	173.5	169.3	174.9	-5.4	113.1	E211 E215 L888 N889 I895 S896	E211-R892 HydrophobicContact CG-CG 4.36Å; E211-R892 VanDerWaalsContact OE1-CG 3.22Å; E211-R892 WeakPolarHBondContact OE1-CG 3.22Å; E211-R892 IonicContact OE1-CZ 3.2Å; E211-R892 IonicContact OE1-NE 3.59Å; E211-R892 PolarHBondContact OE1-NE 3.4Å; E211-R892 IonicContact OE1-NH2 2.8Å; E215-R892 IonicContact OE1-CZ 2.72Å; E215-R892 IonicContact OE1-NH2 3.75Å; E215-R892 PolarHBondContact OE1-NH2 3.17Å; L888-R892 WeakPolarHBondContact O-CG 3.26Å; L888-R892 PolarHBondContact O-N 2.57Å; N889-R892 PolarHBondContact O-N 3.02Å; R892-I895 WeakPolarHBondContact O-CB 3.46Å; R892-I895 PolarHBondContact O-N 3.1Å; R892-S896 PolarHBondContact O-N 3.33Å
893	Q	88.8	Confident	90	Very high	123 Å²	123	62.6 Å²	62.6	58%	0.575	31%	0.313	S	S	*	.	H	α-helix	trans	-61.4	-46.2	173.7	-175.7	174.7	-18.7	0	0	111.1	N889 A890 I895 S896 E897	N889-Q893 PolarHBondContact O-N 2.95Å; A890-Q893 PolarHBondContact O-N 3.21Å; Q893-I895 VanDerWaalsContact C-N 3.27Å; Q893-I895 PolarHBondContact O-N 3.33Å; Q893-S896 WeakPolarHBondContact O-CB 3.35Å; Q893-S896 PolarHBondContact O-N 3.36Å; Q893-S896 VanDerWaalsContact O-N 3.07Å; Q893-E897 PolarHBondContact O-N 3.25Å
894	N	87.9	Confident	89.9	Confident	84 Å²	84	61.5 Å²	61.5	45%	0.449	31%	0.312	S	S	.	.	H	α-helix	trans	-59.8	-36.7	174.7	-62	-12	0	0	0	112.4	A890 Y891 E897 A898	A890-N894 PolarHBondContact O-N 3.39Å; A890-N894 VanDerWaalsContact O-N 3.13Å; A890-N894 PolarHBondContact O-OD1 3.48Å; Y891-N894 WeakPolarHBondContact O-CB 3.31Å; Y891-N894 PolarHBondContact O-N 3.09Å; N894-E897 PolarHBondContact O-N 3.42Å; N894-A898 WeakPolarHBondContact O-CB 3.34Å; N894-A898 PolarHBondContact O-N 3.39Å
895	I	89.6	Confident	89.8	Confident	9 Å²	9	60.2 Å²	60.2	5%	0.046	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-41.4	173.8	-70.9	168.4	0	0	0	111.2	F207 E211 Y891 R892 Q893 A898 K899 Y940	F207-I895 HydrophobicContact CB-CD1 4.06Å; F207-I895 HydrophobicContact CB-CG1 3.78Å; F207-I895 HydrophobicContact CD2-CG1 3.95Å; F207-I895 HydrophobicContact CG-CG1 4.26Å; E211-I895 HydrophobicContact CB-CD1 3.93Å; E211-I895 HydrophobicContact CG-CD1 4.3Å; Y891-I895 HydrophobicContact CD1-CD1 3.91Å; Y891-I895 HydrophobicContact CE1-CD1 3.94Å; Y891-I895 WeakPolarHBondContact O-CG1 3.41Å; Y891-I895 PolarHBondContact O-N 3.27Å; R892-I895 WeakPolarHBondContact O-CB 3.46Å; R892-I895 PolarHBondContact O-N 3.1Å; Q893-I895 VanDerWaalsContact C-N 3.27Å; Q893-I895 PolarHBondContact O-N 3.33Å; I895-A898 PolarHBondContact O-N 3.45Å; I895-K899 WeakPolarHBondContact O-CB 3.34Å; I895-K899 PolarHBondContact O-N 3Å; I895-Y940 HydrophobicContact CG2-CE2 4.33Å; I895-Y940 WeakPolarHBondContact CG2-OH 3.1Å
896	S	87.6	Confident	89.8	Confident	62 Å²	62	58.4 Å²	58.4	43%	0.434	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-45.3	176.6	-159.9	0	0	0	0	111.7	R892 Q893 A898 K899 E900	R892-S896 PolarHBondContact O-N 3.33Å; Q893-S896 WeakPolarHBondContact O-CB 3.35Å; Q893-S896 PolarHBondContact O-N 3.36Å; Q893-S896 VanDerWaalsContact O-N 3.07Å; S896-A898 VanDerWaalsContact C-N 3.35Å; S896-A898 PolarHBondContact O-N 2.94Å; S896-K899 PolarHBondContact O-N 3.41Å; S896-E900 PolarHBondContact O-N 3.43Å
897	E	87.4	Confident	89.7	Confident	79 Å²	79	59.4 Å²	59.4	37%	0.369	30%	0.301	S	S	.	.	H	α-helix	trans	-63	-39.2	176.1	-69.3	-175.1	-149.2	0	0	112.5	Q893 N894 R901	Q893-E897 PolarHBondContact O-N 3.25Å; N894-E897 PolarHBondContact O-N 3.42Å; E897-R901 VanDerWaalsContact O-CG 3.25Å; E897-R901 WeakPolarHBondContact O-CG 3.41Å; E897-R901 PolarHBondContact O-N 3.21Å; E897-R901 PolarHBondContact O-NE 2.91Å; E897-R901 IonicContact OE2-NH2 3.94Å; E897-R901 PolarHBondContact OE2-NH2 3.22Å
898	A	86.8	Confident	89.8	Confident	14 Å²	14	62.2 Å²	62.2	12%	0.116	31%	0.307	C	S	.	.	H	α-helix	trans	-68.4	-38.9	174.9	0	0	0	0	0	112	L204 F207 N894 I895 S896 E900 R901 W902	L204-A898 HydrophobicContact CD2-CB 3.75Å; L204-A898 HydrophobicContact CG-CB 4.37Å; F207-A898 HydrophobicContact CD2-CB 4.28Å; F207-A898 HydrophobicContact CE2-CB 3.96Å; N894-A898 WeakPolarHBondContact O-CB 3.34Å; N894-A898 PolarHBondContact O-N 3.39Å; I895-A898 PolarHBondContact O-N 3.45Å; S896-A898 VanDerWaalsContact C-N 3.35Å; S896-A898 PolarHBondContact O-N 2.94Å; A898-E900 VanDerWaalsContact C-N 3.34Å; A898-E900 PolarHBondContact O-N 3.01Å; A898-R901 PolarHBondContact O-N 3.41Å; A898-W902 PolarHBondContact O-N 3.03Å
899	K	89.6	Confident	89.7	Confident	36 Å²	36	62.5 Å²	62.5	16%	0.157	31%	0.309	C	S	.	.	H	α-helix	trans	-58.9	-45.6	176.3	176.9	176.5	174.7	170.3	0	110.5	L204 I895 S896 W902 L903 E937 Y940	L204-K899 HydrophobicContact CD2-CB 4.4Å; I895-K899 WeakPolarHBondContact O-CB 3.34Å; I895-K899 PolarHBondContact O-N 3Å; S896-K899 PolarHBondContact O-N 3.41Å; K899-W902 PolarHBondContact O-N 3.24Å; K899-L903 HydrophobicContact CG-CB 4.47Å; K899-L903 HydrophobicContact CG-CD2 4.29Å; K899-L903 WeakPolarHBondContact O-CB 3.44Å; K899-L903 PolarHBondContact O-N 2.76Å; K899-E937 PolarHBondContact NZ-O 2.85Å; K899-E937 IonicContact NZ-OE2 3.9Å; K899-E937 PolarHBondContact NZ-OE2 3.31Å; K899-Y940 HydrophobicContact CB-CE1 4.43Å; K899-Y940 HydrophobicContact CD-CE1 4.03Å; K899-Y940 HydrophobicContact CG-CE1 4.09Å
900	E	89.4	Confident	89.7	Confident	115 Å²	115	59 Å²	59	54%	0.537	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-40.1	178	-72.8	-179.7	-166.5	0	0	113.1	S896 A898 W902 N904	S896-E900 PolarHBondContact O-N 3.43Å; A898-E900 VanDerWaalsContact C-N 3.34Å; A898-E900 PolarHBondContact O-N 3.01Å; E900-W902 VanDerWaalsContact C-N 3.29Å; E900-W902 PolarHBondContact O-N 2.79Å; E900-N904 WeakPolarHBondContact O-CB 3.41Å; E900-N904 PolarHBondContact O-N 2.81Å; E900-N904 PolarHBondContact O-ND2 2.95Å
901	R	87.8	Confident	89.8	Confident	149 Å²	149	62.7 Å²	62.7	56%	0.562	30%	0.299	S	S	*	.	H	α-helix	trans	-64.2	-30.3	178.7	-69.3	170.8	-155.7	-166.6	8.7	113.4	E897 A898 P905	E897-R901 VanDerWaalsContact O-CG 3.25Å; E897-R901 WeakPolarHBondContact O-CG 3.41Å; E897-R901 PolarHBondContact O-N 3.21Å; E897-R901 PolarHBondContact O-NE 2.91Å; E897-R901 IonicContact OE2-NH2 3.94Å; E897-R901 PolarHBondContact OE2-NH2 3.22Å; A898-R901 PolarHBondContact O-N 3.41Å; R901-P905 VanDerWaalsContact O-CD 3.28Å; R901-P905 WeakPolarHBondContact O-CD 3.47Å; R901-P905 WeakPolarHBondContact O-CG 3.02Å
902	W	92.1	Very high	89.8	Confident	1 Å²	1	65.5 Å²	65.5	0%	0.004	31%	0.314	C	S	.	.	H	α-helix	trans	-90.3	-51.9	175.5	169.8	71.4	0	0	0	112.6	L185 E189 M197 H201 L204 A898 K899 E900 N904 P905 L906 Y940 Y943	L185-W902 HydrophobicContact CD2-CZ2 4.48Å; E189-W902 PolarHBondContact OE1-NE1 3.42Å; M197-W902 VanDerWaalsContact O-CD1 3.31Å; H201-W902 HydrophobicContact CB-CZ2 4.34Å; H201-W902 AromaticContact CD2-CE2 3.91Å; H201-W902 AromaticContact CD2-CZ2 3.48Å; H201-W902 VanDerWaalsContact CD2-CZ2 3.48Å; H201-W902 WeakPolarHBondContact CD2-CZ2 3.38Å; H201-W902 AromaticContact CE1-CZ2 3.77Å; H201-W902 AromaticContact CG-CE2 3.78Å; H201-W902 AromaticContact CG-CZ2 3.66Å; H201-W902 AromaticContact CG-NE1 3.72Å; H201-W902 AromaticContact ND1-CZ2 3.83Å; H201-W902 AromaticContact NE2-CZ2 3.62Å; L204-W902 HydrophobicContact CD1-CB 3.72Å; L204-W902 HydrophobicContact CD1-CD2 3.86Å; L204-W902 HydrophobicContact CD1-CE3 3.6Å; L204-W902 HydrophobicContact CD1-CG 3.96Å; L204-W902 HydrophobicContact CD1-CZ3 4.43Å; A898-W902 PolarHBondContact O-N 3.03Å; K899-W902 PolarHBondContact O-N 3.24Å; E900-W902 VanDerWaalsContact C-N 3.29Å; E900-W902 PolarHBondContact O-N 2.79Å; W902-N904 PolarHBondContact O-N 2.85Å; W902-P905 WeakPolarHBondContact O-CD 3.43Å; W902-L906 HydrophobicContact CD2-CD2 4.42Å; W902-L906 HydrophobicContact CH2-CD2 3.97Å; W902-L906 HydrophobicContact CZ2-CD2 3.41Å; W902-L906 VanDerWaalsContact CZ2-CD2 3.41Å; W902-L906 VanDerWaalsContact O-CB 3.29Å; W902-L906 WeakPolarHBondContact O-CB 3.46Å; W902-L906 PolarHBondContact O-N 3.4Å; W902-Y940 AromaticContact CZ3-CD1 3.98Å; W902-Y940 HydrophobicContact CZ3-CD1 3.98Å; W902-Y943 AromaticContact CH2-CD1 3.85Å; W902-Y943 HydrophobicContact CH2-CD1 3.85Å; W902-Y943 HydrophobicContact CH2-CD2 4.2Å; W902-Y943 HydrophobicContact CH2-CE1 4.35Å; W902-Y943 AromaticContact CH2-CG 3.75Å; W902-Y943 HydrophobicContact CH2-CG 3.75Å; W902-Y943 HydrophobicContact CZ3-CD1 4.29Å; W902-Y943 HydrophobicContact CZ3-CE1 4.33Å; W902-Y943 HydrophobicContact CZ3-CG 4.39Å
903	L	90.9	Very high	89.9	Confident	9 Å²	9	60.8 Å²	60.8	5%	0.047	30%	0.296	C	S	.	.	H	α-helix	trans	-69.5	-32.7	-168.4	-175	60	0	0	0	113	K899 K907 L932 Y943	K899-L903 HydrophobicContact CG-CB 4.47Å; K899-L903 HydrophobicContact CG-CD2 4.29Å; K899-L903 WeakPolarHBondContact O-CB 3.44Å; K899-L903 PolarHBondContact O-N 2.76Å; L903-K907 HydrophobicContact CD1-CD 4.42Å; L903-K907 HydrophobicContact CD1-CG 4.27Å; L903-K907 HydrophobicContact CG-CD 4.2Å; L903-K907 HydrophobicContact CG-CG 4.48Å; L903-K907 WeakPolarHBondContact O-CB 3.07Å; L903-K907 VanDerWaalsContact O-CG 3.29Å; L903-K907 WeakPolarHBondContact O-CG 3.46Å; L903-K907 PolarHBondContact O-N 3.23Å; L903-L932 HydrophobicContact CD1-CD2 3.74Å; L903-Y943 HydrophobicContact CD1-CE1 3.85Å
904	N	90.8	Very high	90.1	Very high	77 Å²	77	56.4 Å²	56.4	41%	0.412	28%	0.276	S	S	.	.	H	α-helix	trans	-72.9	-49.3	-179.2	-66.6	-29.2	0	0	0	111.8	E900 W902 L906 K907 Q908	E900-N904 WeakPolarHBondContact O-CB 3.41Å; E900-N904 PolarHBondContact O-N 2.81Å; E900-N904 PolarHBondContact O-ND2 2.95Å; W902-N904 PolarHBondContact O-N 2.85Å; N904-L906 VanDerWaalsContact C-N 3.31Å; N904-L906 PolarHBondContact O-N 3.08Å; N904-K907 PolarHBondContact O-N 2.98Å; N904-Q908 WeakPolarHBondContact O-CG 3.46Å; N904-Q908 PolarHBondContact O-N 3.2Å; N904-Q908 VanDerWaalsContact O-N 3.12Å
905	P	90.1	Very high	90.2	Very high	51 Å²	51	56.8 Å²	56.8	33%	0.331	28%	0.278	S	S	.	.	H	α-helix	trans	-59.7	-36.9	168.7	-27.5	37.7	0	0	0	113.7	M197 R901 W902 Q908 L909	M197-P905 HydrophobicContact CE-CB 3.71Å; R901-P905 VanDerWaalsContact O-CD 3.28Å; R901-P905 WeakPolarHBondContact O-CD 3.47Å; R901-P905 WeakPolarHBondContact O-CG 3.02Å; W902-P905 WeakPolarHBondContact O-CD 3.43Å; P905-Q908 PolarHBondContact O-N 3.04Å; P905-L909 WeakPolarHBondContact O-CB 3.28Å; P905-L909 PolarHBondContact O-N 2.9Å
906	L	91.2	Very high	90.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-44.1	177.5	176.3	59.4	0	0	0	111.9	L185 E189 M197 W902 N904 Q908 L909 V910 L932	L185-L906 HydrophobicContact CD1-CD1 3.62Å; L185-L906 HydrophobicContact CD1-CD2 3.92Å; L185-L906 HydrophobicContact CD1-CG 4.39Å; L185-L906 HydrophobicContact CD2-CD2 4.4Å; E189-L906 HydrophobicContact CG-CD1 4.44Å; M197-L906 HydrophobicContact CE-CB 4.3Å; M197-L906 HydrophobicContact SD-CD1 4.34Å; W902-L906 HydrophobicContact CD2-CD2 4.42Å; W902-L906 HydrophobicContact CH2-CD2 3.97Å; W902-L906 HydrophobicContact CZ2-CD2 3.41Å; W902-L906 VanDerWaalsContact CZ2-CD2 3.41Å; W902-L906 VanDerWaalsContact O-CB 3.29Å; W902-L906 WeakPolarHBondContact O-CB 3.46Å; W902-L906 PolarHBondContact O-N 3.4Å; N904-L906 VanDerWaalsContact C-N 3.31Å; N904-L906 PolarHBondContact O-N 3.08Å; L906-Q908 PolarHBondContact O-N 3.09Å; L906-L909 PolarHBondContact O-N 3.49Å; L906-V910 HydrophobicContact CD1-CG2 3.99Å; L906-V910 HydrophobicContact CG-CG2 4.47Å; L906-V910 WeakPolarHBondContact O-CG2 3.46Å; L906-V910 PolarHBondContact O-N 3.07Å; L906-L932 HydrophobicContact CD2-CD1 4.01Å; L906-L932 HydrophobicContact CD2-CD2 3.96Å; L906-L932 HydrophobicContact CG-CD1 4.44Å; L906-L932 HydrophobicContact CG-CD2 4.17Å
907	K	91.2	Very high	90.4	Very high	101 Å²	101	55.6 Å²	55.6	44%	0.439	27%	0.265	S	S	.	.	H	α-helix	trans	-58.9	-46.7	174.8	-78.9	173.3	177.1	177	0	111.3	L903 N904 L909 V910 E911 L932	L903-K907 HydrophobicContact CD1-CD 4.42Å; L903-K907 HydrophobicContact CD1-CG 4.27Å; L903-K907 HydrophobicContact CG-CD 4.2Å; L903-K907 HydrophobicContact CG-CG 4.48Å; L903-K907 WeakPolarHBondContact O-CB 3.07Å; L903-K907 VanDerWaalsContact O-CG 3.29Å; L903-K907 WeakPolarHBondContact O-CG 3.46Å; L903-K907 PolarHBondContact O-N 3.23Å; N904-K907 PolarHBondContact O-N 2.98Å; K907-L909 VanDerWaalsContact C-N 3.32Å; K907-L909 PolarHBondContact O-N 3.36Å; K907-V910 PolarHBondContact O-N 2.84Å; K907-E911 WeakPolarHBondContact O-CB 3.3Å; K907-E911 PolarHBondContact O-N 2.95Å; K907-L932 HydrophobicContact CG-CD2 4.32Å
908	Q	90.6	Very high	90.5	Very high	118 Å²	118	52.2 Å²	52.2	55%	0.551	25%	0.25	S	S	*	.	H	α-helix	trans	-61	-38.9	176.6	-70.4	175.2	-5.4	0	0	112.7	N904 P905 L906 Q912	N904-Q908 WeakPolarHBondContact O-CG 3.46Å; N904-Q908 PolarHBondContact O-N 3.2Å; N904-Q908 VanDerWaalsContact O-N 3.12Å; P905-Q908 PolarHBondContact O-N 3.04Å; L906-Q908 PolarHBondContact O-N 3.09Å; Q908-Q912 VanDerWaalsContact O-CG 3.3Å; Q908-Q912 WeakPolarHBondContact O-CG 3.35Å; Q908-Q912 PolarHBondContact O-N 3.36Å
909	L	89.9	Confident	90.6	Very high	16 Å²	16	56.1 Å²	56.1	8%	0.084	27%	0.266	C	S	.	.	H	α-helix	trans	-66	-47.1	175.3	177.4	60.5	0	0	0	111.5	V192 M197 P905 L906 K907 E911 Q912 I913 L984	V192-L909 HydrophobicContact CB-CD1 4.41Å; V192-L909 HydrophobicContact CG1-CD1 3.86Å; M197-L909 HydrophobicContact CE-CB 4.47Å; M197-L909 HydrophobicContact CE-CD2 4.12Å; M197-L909 HydrophobicContact SD-CD2 3.76Å; P905-L909 WeakPolarHBondContact O-CB 3.28Å; P905-L909 PolarHBondContact O-N 2.9Å; L906-L909 PolarHBondContact O-N 3.49Å; K907-L909 VanDerWaalsContact C-N 3.32Å; K907-L909 PolarHBondContact O-N 3.36Å; L909-E911 VanDerWaalsContact C-N 3.29Å; L909-E911 PolarHBondContact O-N 2.89Å; L909-Q912 PolarHBondContact O-N 2.89Å; L909-I913 HydrophobicContact CD1-CD1 4.06Å; L909-I913 HydrophobicContact CD1-CG1 4.4Å; L909-I913 HydrophobicContact CG-CD1 3.91Å; L909-I913 WeakPolarHBondContact O-CD1 3.29Å; L909-I913 WeakPolarHBondContact O-CG1 3.4Å; L909-I913 PolarHBondContact O-N 3.45Å; L909-L984 HydrophobicContact CD1-CD1 4.36Å
910	V	91.9	Very high	90.5	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-36.1	177.5	174.8	0	0	0	0	111.4	L906 K907 I913 N914 V930 L932 I945	L906-V910 HydrophobicContact CD1-CG2 3.99Å; L906-V910 HydrophobicContact CG-CG2 4.47Å; L906-V910 WeakPolarHBondContact O-CG2 3.46Å; L906-V910 PolarHBondContact O-N 3.07Å; K907-V910 PolarHBondContact O-N 2.84Å; V910-I913 PolarHBondContact O-N 3.49Å; V910-N914 VanDerWaalsContact O-CB 3.3Å; V910-N914 WeakPolarHBondContact O-CB 3.25Å; V910-N914 PolarHBondContact O-N 2.85Å; V910-V930 HydrophobicContact CG1-CG1 4.17Å; V910-L932 HydrophobicContact CG1-CB 4.44Å; V910-I945 HydrophobicContact CG2-CD1 4.37Å; V910-I945 HydrophobicContact CG2-CG1 4.48Å
911	E	92.3	Very high	90.4	Very high	128 Å²	128	49.4 Å²	49.4	60%	0.598	24%	0.235	S	C	*	.	H	α-helix	trans	-66.5	-44.5	176	-168.2	161.5	-138.4	0	0	111.9	K907 L909 I913 N914 D915	K907-E911 WeakPolarHBondContact O-CB 3.3Å; K907-E911 PolarHBondContact O-N 2.95Å; L909-E911 VanDerWaalsContact C-N 3.29Å; L909-E911 PolarHBondContact O-N 2.89Å; E911-I913 VanDerWaalsContact C-N 3.33Å; E911-I913 PolarHBondContact O-N 2.89Å; E911-N914 WeakPolarHBondContact O-CB 3.47Å; E911-N914 PolarHBondContact O-N 3.43Å; E911-N914 VanDerWaalsContact O-N 3.15Å; E911-D915 PolarHBondContact O-N 3.31Å
912	Q	90.3	Very high	90.3	Very high	98 Å²	98	50.2 Å²	50.2	46%	0.458	24%	0.238	S	C	.	.	H	α-helix	trans	-61.4	-39	172.3	-72	170.6	36.2	0	0	112.7	Q908 L909 K916 L984	Q908-Q912 VanDerWaalsContact O-CG 3.3Å; Q908-Q912 WeakPolarHBondContact O-CG 3.35Å; Q908-Q912 PolarHBondContact O-N 3.36Å; L909-Q912 PolarHBondContact O-N 2.89Å; Q912-K916 PolarHBondContact O-N 2.98Å; Q912-L984 HydrophobicContact CB-CD1 4.1Å; Q912-L984 HydrophobicContact CB-CD2 4.19Å
913	I	90.9	Very high	89.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.5	-42.2	174	-65.2	161.5	0	0	0	110.3	T188 L909 V910 E911 K916 F917 V930 Y977 A980 L981 L984	T188-I913 HydrophobicContact CG2-CD1 3.62Å; L909-I913 HydrophobicContact CD1-CD1 4.06Å; L909-I913 HydrophobicContact CD1-CG1 4.4Å; L909-I913 HydrophobicContact CG-CD1 3.91Å; L909-I913 WeakPolarHBondContact O-CD1 3.29Å; L909-I913 WeakPolarHBondContact O-CG1 3.4Å; L909-I913 PolarHBondContact O-N 3.45Å; V910-I913 PolarHBondContact O-N 3.49Å; E911-I913 VanDerWaalsContact C-N 3.33Å; E911-I913 PolarHBondContact O-N 2.89Å; I913-K916 PolarHBondContact O-N 3.43Å; I913-F917 VanDerWaalsContact O-CB 3.22Å; I913-F917 WeakPolarHBondContact O-CB 3.33Å; I913-F917 PolarHBondContact O-N 3.25Å; I913-V930 HydrophobicContact CG2-CG1 4.36Å; I913-V930 HydrophobicContact CG2-CG2 4.32Å; I913-Y977 HydrophobicContact CG2-CD2 4.16Å; I913-Y977 HydrophobicContact CG2-CE2 3.55Å; I913-A980 HydrophobicContact CG2-CB 4.31Å; I913-L981 HydrophobicContact CD1-CD2 3.49Å; I913-L981 VanDerWaalsContact CD1-CD2 3.49Å; I913-L981 HydrophobicContact CG1-CD2 3.85Å; I913-L981 HydrophobicContact CG2-CD2 4.15Å; I913-L984 HydrophobicContact CB-CD1 4.4Å; I913-L984 HydrophobicContact CG1-CD1 3.47Å; I913-L984 VanDerWaalsContact CG1-CD1 3.47Å
914	N	93	Very high	89.3	Confident	31 Å²	31	53.1 Å²	53.1	17%	0.166	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-42.6	178.9	179.1	57.5	0	0	0	112.6	V910 E911 F917 S918 E929 V930	V910-N914 VanDerWaalsContact O-CB 3.3Å; V910-N914 WeakPolarHBondContact O-CB 3.25Å; V910-N914 PolarHBondContact O-N 2.85Å; E911-N914 WeakPolarHBondContact O-CB 3.47Å; E911-N914 PolarHBondContact O-N 3.43Å; E911-N914 VanDerWaalsContact O-N 3.15Å; N914-F917 PolarHBondContact O-N 2.82Å; N914-S918 WeakPolarHBondContact O-CB 3.46Å; N914-S918 PolarHBondContact O-N 3.17Å; N914-S918 PolarHBondContact O-OG 2.74Å; N914-E929 VanDerWaalsContact OD1-CA 3.29Å; N914-E929 WeakPolarHBondContact OD1-CA 3.38Å; N914-V930 HydrophobicContact CB-CB 4.12Å; N914-V930 WeakPolarHBondContact CB-O 3.44Å; N914-V930 PolarHBondContact OD1-N 2.78Å; N914-V930 PolarHBondContact OD1-O 3.16Å
915	D	91.7	Very high	88.7	Confident	92 Å²	92	57.6 Å²	57.6	49%	0.492	28%	0.277	S	S	.	.	H	α-helix	trans	-60.6	-45.2	176	-85.5	-22.2	0	0	0	111.4	E911 S918 E919	E911-D915 PolarHBondContact O-N 3.31Å; D915-S918 WeakPolarHBondContact O-CB 3.33Å; D915-S918 PolarHBondContact O-N 3.22Å; D915-E919 WeakPolarHBondContact O-CB 3.41Å; D915-E919 PolarHBondContact O-N 3.43Å
916	K	89.2	Confident	88.5	Confident	46 Å²	46	56 Å²	56	20%	0.2	27%	0.267	C	S	.	.	H	α-helix	trans	-69.9	-41.2	178.1	-70.7	-51.4	-161.7	154.7	0	113.6	Q912 I913 S918 E919 F920 A980 E983	Q912-K916 PolarHBondContact O-N 2.98Å; I913-K916 PolarHBondContact O-N 3.43Å; K916-S918 VanDerWaalsContact C-N 3.32Å; K916-S918 PolarHBondContact O-N 2.91Å; K916-E919 VanDerWaalsContact CD-OE2 3.24Å; K916-E919 WeakPolarHBondContact CD-OE2 3.49Å; K916-E919 WeakPolarHBondContact CE-OE2 3.36Å; K916-E919 IonicContact NZ-OE2 3.04Å; K916-E919 PolarHBondContact NZ-OE2 2.8Å; K916-E919 PolarHBondContact O-N 3.36Å; K916-F920 VanDerWaalsContact O-CD2 3.22Å; K916-F920 WeakPolarHBondContact O-CD2 3.47Å; K916-F920 WeakPolarHBondContact O-CG 3.44Å; K916-F920 PolarHBondContact O-N 3.15Å; K916-A980 HydrophobicContact CB-CB 3.85Å; K916-E983 VanDerWaalsContact CD-OE2 3.31Å; K916-E983 WeakPolarHBondContact CD-OE2 3.45Å; K916-E983 WeakPolarHBondContact CE-OE2 3.32Å; K916-E983 VanDerWaalsContact NZ-CD 3.33Å; K916-E983 IonicContact NZ-OE1 2.95Å; K916-E983 PolarHBondContact NZ-OE1 3.32Å; K916-E983 IonicContact NZ-OE2 2.9Å; K916-E983 PolarHBondContact NZ-OE2 3.12Å
917	F	91.2	Very high	88.3	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-42.2	172.7	-172.2	-109.4	0	0	0	111.6	I913 N914 F920 F921 V930 I947 V949 S973 L976 Y977 A980	I913-F917 VanDerWaalsContact O-CB 3.22Å; I913-F917 WeakPolarHBondContact O-CB 3.33Å; I913-F917 PolarHBondContact O-N 3.25Å; N914-F917 PolarHBondContact O-N 2.82Å; F917-F920 PolarHBondContact O-N 2.75Å; F917-F921 HydrophobicContact CD1-CD2 4.29Å; F917-F921 HydrophobicContact CD2-CD2 4.21Å; F917-F921 HydrophobicContact CD2-CE2 4.22Å; F917-F921 AromaticContact CE1-CD2 3.98Å; F917-F921 HydrophobicContact CE1-CD2 3.98Å; F917-F921 AromaticContact CE1-CE2 3.93Å; F917-F921 HydrophobicContact CE1-CE2 3.93Å; F917-F921 AromaticContact CE2-CD2 3.88Å; F917-F921 HydrophobicContact CE2-CD2 3.88Å; F917-F921 AromaticContact CE2-CE2 3.45Å; F917-F921 HydrophobicContact CE2-CE2 3.45Å; F917-F921 VanDerWaalsContact CE2-CE2 3.45Å; F917-F921 HydrophobicContact CE2-CZ 4.49Å; F917-F921 HydrophobicContact CG-CD2 4.42Å; F917-F921 AromaticContact CZ-CD2 3.76Å; F917-F921 HydrophobicContact CZ-CD2 3.76Å; F917-F921 AromaticContact CZ-CE2 3.28Å; F917-F921 HydrophobicContact CZ-CE2 3.28Å; F917-F921 HydrophobicContact CZ-CZ 4.02Å; F917-F921 WeakPolarHBondContact O-CB 3.38Å; F917-F921 PolarHBondContact O-N 2.94Å; F917-V930 HydrophobicContact CB-CG2 3.81Å; F917-V930 HydrophobicContact CD1-CG2 3.5Å; F917-V930 VanDerWaalsContact CD1-CG2 3.5Å; F917-V930 HydrophobicContact CD2-CG2 4.37Å; F917-V930 HydrophobicContact CE1-CG2 4.08Å; F917-V930 HydrophobicContact CG-CG2 3.65Å; F917-I947 HydrophobicContact CE1-CG2 3.85Å; F917-I947 HydrophobicContact CE2-CG2 4.49Å; F917-I947 HydrophobicContact CZ-CG2 3.56Å; F917-V949 HydrophobicContact CE1-CG1 4.17Å; F917-V949 HydrophobicContact CZ-CG1 3.97Å; F917-S973 WeakPolarHBondContact CE2-O 3.48Å; F917-L976 HydrophobicContact CD2-CB 4.4Å; F917-L976 HydrophobicContact CE2-CB 4.25Å; F917-Y977 HydrophobicContact CD2-CD2 4.26Å; F917-Y977 HydrophobicContact CE2-CD2 4.45Å; F917-A980 HydrophobicContact CB-CB 4.34Å
918	S	90.4	Very high	88.2	Confident	8 Å²	8	53 Å²	53	6%	0.056	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-45.1	173.6	-69.6	0	0	0	0	112.3	N914 D915 K916 F921 R922 G928	N914-S918 WeakPolarHBondContact O-CB 3.46Å; N914-S918 PolarHBondContact O-N 3.17Å; N914-S918 PolarHBondContact O-OG 2.74Å; D915-S918 WeakPolarHBondContact O-CB 3.33Å; D915-S918 PolarHBondContact O-N 3.22Å; K916-S918 VanDerWaalsContact C-N 3.32Å; K916-S918 PolarHBondContact O-N 2.91Å; S918-F921 PolarHBondContact O-N 3.16Å; S918-R922 VanDerWaalsContact O-CB 3.3Å; S918-R922 WeakPolarHBondContact O-CB 3.37Å; S918-R922 WeakPolarHBondContact O-CD 3.35Å; S918-R922 WeakPolarHBondContact O-CG 3.45Å; S918-R922 PolarHBondContact O-N 3.01Å; S918-G928 PolarHBondContact OG-O 3.4Å
919	E	88.9	Confident	88.2	Confident	95 Å²	95	51.2 Å²	51.2	44%	0.444	25%	0.253	S	S	.	.	H	α-helix	trans	-56.4	-50.2	176.3	-170.8	-176.1	173.5	0	0	110.8	D915 K916 R922 S923	D915-E919 WeakPolarHBondContact O-CB 3.41Å; D915-E919 PolarHBondContact O-N 3.43Å; K916-E919 VanDerWaalsContact CD-OE2 3.24Å; K916-E919 WeakPolarHBondContact CD-OE2 3.49Å; K916-E919 WeakPolarHBondContact CE-OE2 3.36Å; K916-E919 IonicContact NZ-OE2 3.04Å; K916-E919 PolarHBondContact NZ-OE2 2.8Å; K916-E919 PolarHBondContact O-N 3.36Å; E919-R922 PolarHBondContact O-N 3.03Å; E919-S923 PolarHBondContact O-N 3.41Å
920	F	87	Confident	88.3	Confident	10 Å²	10	50.8 Å²	50.8	4%	0.044	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-43.7	178.3	-60.5	-36.2	0	0	0	112.8	K916 F917 S923 M924 L976 M979 A980 I1010	K916-F920 VanDerWaalsContact O-CD2 3.22Å; K916-F920 WeakPolarHBondContact O-CD2 3.47Å; K916-F920 WeakPolarHBondContact O-CG 3.44Å; K916-F920 PolarHBondContact O-N 3.15Å; F917-F920 PolarHBondContact O-N 2.75Å; F920-S923 WeakPolarHBondContact O-CB 3.47Å; F920-S923 PolarHBondContact O-N 3.16Å; F920-S923 PolarHBondContact O-OG 3.46Å; F920-M924 PolarHBondContact O-N 3.14Å; F920-L976 HydrophobicContact CB-CB 4.44Å; F920-L976 HydrophobicContact CB-CD1 4.21Å; F920-L976 HydrophobicContact CB-CD2 4.16Å; F920-M979 HydrophobicContact CD2-CB 4.33Å; F920-M979 HydrophobicContact CE2-CB 3.95Å; F920-A980 HydrophobicContact CD2-CB 4.45Å; F920-A980 HydrophobicContact CE2-CB 4.23Å; F920-I1010 HydrophobicContact CD1-CG2 3.59Å; F920-I1010 HydrophobicContact CE1-CG2 3.86Å; F920-I1010 HydrophobicContact CG-CG2 4.16Å
921	F	87.3	Confident	88.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-43.1	176.9	-98.9	-99.4	0	0	0	112.6	F917 S918 S923 M924 C926 A927 V949 F951 L976	F917-F921 HydrophobicContact CD1-CD2 4.29Å; F917-F921 HydrophobicContact CD2-CD2 4.21Å; F917-F921 HydrophobicContact CD2-CE2 4.22Å; F917-F921 AromaticContact CE1-CD2 3.98Å; F917-F921 HydrophobicContact CE1-CD2 3.98Å; F917-F921 AromaticContact CE1-CE2 3.93Å; F917-F921 HydrophobicContact CE1-CE2 3.93Å; F917-F921 AromaticContact CE2-CD2 3.88Å; F917-F921 HydrophobicContact CE2-CD2 3.88Å; F917-F921 AromaticContact CE2-CE2 3.45Å; F917-F921 HydrophobicContact CE2-CE2 3.45Å; F917-F921 VanDerWaalsContact CE2-CE2 3.45Å; F917-F921 HydrophobicContact CE2-CZ 4.49Å; F917-F921 HydrophobicContact CG-CD2 4.42Å; F917-F921 AromaticContact CZ-CD2 3.76Å; F917-F921 HydrophobicContact CZ-CD2 3.76Å; F917-F921 AromaticContact CZ-CE2 3.28Å; F917-F921 HydrophobicContact CZ-CE2 3.28Å; F917-F921 HydrophobicContact CZ-CZ 4.02Å; F917-F921 WeakPolarHBondContact O-CB 3.38Å; F917-F921 PolarHBondContact O-N 2.94Å; S918-F921 PolarHBondContact O-N 3.16Å; F921-S923 VanDerWaalsContact C-N 3.26Å; F921-S923 PolarHBondContact O-N 3.21Å; F921-M924 HydrophobicContact CD1-CE 4.2Å; F921-M924 HydrophobicContact CE1-CE 4.18Å; F921-M924 HydrophobicContact CG-CE 4.43Å; F921-M924 HydrophobicContact CZ-CE 4.39Å; F921-M924 PolarHBondContact O-N 2.93Å; F921-C926 CarbonylContact C-O 3.57Å; F921-C926 VanDerWaalsContact C-O 3.23Å; F921-C926 HydrophobicContact CD1-CB 3.62Å; F921-C926 HydrophobicContact CE1-CB 4.22Å; F921-C926 CarbonylContact O-C 3.45Å; F921-C926 PolarHBondContact O-N 2.63Å; F921-A927 VanDerWaalsContact CD1-C 3.48Å; F921-A927 WeakPolarHBondContact CD1-O 3.24Å; F921-V949 HydrophobicContact CE1-CB 4.12Å; F921-V949 HydrophobicContact CE1-CG1 3.83Å; F921-V949 HydrophobicContact CE2-CG1 4.3Å; F921-V949 HydrophobicContact CZ-CB 4.33Å; F921-V949 HydrophobicContact CZ-CG1 3.6Å; F921-F951 HydrophobicContact CE1-CE1 4.01Å; F921-F951 HydrophobicContact CE1-CE2 4.12Å; F921-F951 AromaticContact CE1-CZ 3.72Å; F921-F951 HydrophobicContact CE1-CZ 3.72Å; F921-F951 HydrophobicContact CZ-CE1 4.39Å; F921-F951 HydrophobicContact CZ-CE2 4.38Å; F921-F951 AromaticContact CZ-CZ 3.83Å; F921-F951 HydrophobicContact CZ-CZ 3.83Å; F921-L976 HydrophobicContact CD2-CB 4.37Å; F921-L976 HydrophobicContact CD2-CD1 3.81Å; F921-L976 HydrophobicContact CE2-CB 4.04Å; F921-L976 HydrophobicContact CE2-CD1 3.73Å; F921-L976 HydrophobicContact CE2-CG 4.47Å; F921-L976 HydrophobicContact CZ-CD1 4.44Å
922	R	86.5	Confident	88.3	Confident	167 Å²	167	47.3 Å²	47.3	63%	0.63	24%	0.236	S	C	*	.	H	α-helix	trans	-58.3	-38.8	174.7	-71.5	165.2	-166.7	163.8	7.5	111.3	S918 E919 M924 Q925 C926	S918-R922 VanDerWaalsContact O-CB 3.3Å; S918-R922 WeakPolarHBondContact O-CB 3.37Å; S918-R922 WeakPolarHBondContact O-CD 3.35Å; S918-R922 WeakPolarHBondContact O-CG 3.45Å; S918-R922 PolarHBondContact O-N 3.01Å; E919-R922 PolarHBondContact O-N 3.03Å; R922-M924 PolarHBondContact O-N 3.43Å; R922-Q925 PolarHBondContact O-N 3.49Å; R922-C926 PolarHBondContact N-O 2.97Å
923	S	81.8	Confident	88.3	Confident	67 Å²	67	45.1 Å²	45.1	47%	0.469	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-24.7	177.2	84.5	0	0	0	0	113.9	E919 F920 F921	E919-S923 PolarHBondContact O-N 3.41Å; F920-S923 WeakPolarHBondContact O-CB 3.47Å; F920-S923 PolarHBondContact O-N 3.16Å; F920-S923 PolarHBondContact O-OG 3.46Å; F921-S923 VanDerWaalsContact C-N 3.26Å; F921-S923 PolarHBondContact O-N 3.21Å
924	M	78.4	Confident	88	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.015	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	2.7	174.5	-60.2	-163.7	-54.3	0	0	114.2	F920 F921 R922 C926 F951 V972 L976 R1006 I1010	F920-M924 PolarHBondContact O-N 3.14Å; F921-M924 HydrophobicContact CD1-CE 4.2Å; F921-M924 HydrophobicContact CE1-CE 4.18Å; F921-M924 HydrophobicContact CG-CE 4.43Å; F921-M924 HydrophobicContact CZ-CE 4.39Å; F921-M924 PolarHBondContact O-N 2.93Å; R922-M924 PolarHBondContact O-N 3.43Å; M924-C926 HydrophobicContact CB-CB 4.46Å; M924-C926 HydrophobicContact CE-CB 4.43Å; M924-C926 PolarHBondContact O-N 3.47Å; M924-F951 HydrophobicContact CE-CE1 4.26Å; M924-V972 HydrophobicContact CE-CG1 3.7Å; M924-V972 HydrophobicContact SD-CG1 3.95Å; M924-L976 HydrophobicContact CE-CD1 3.35Å; M924-L976 HydrophobicContact SD-CD1 3.76Å; M924-R1006 HydrophobicContact CG-CB 4.37Å; M924-R1006 PolarHBondContact O-NH1 3.26Å; M924-R1006 PolarHBondContact O-NH2 3.43Å; M924-R1006 HydrophobicContact SD-CB 4.25Å; M924-I1010 HydrophobicContact CG-CD1 4.06Å
925	Q	79.7	Confident	87.3	Confident	172 Å²	172	52.4 Å²	52.4	80%	0.804	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	22.6	-168.5	-51.2	169.6	-32	0	0	113.8	R922	R922-Q925 PolarHBondContact O-N 3.49Å
926	C	85.2	Confident	86.8	Confident	16 Å²	16	50.9 Å²	50.9	11%	0.108	26%	0.256	C	S	.	.			trans	-110.7	177	176.4	-58.8	0	0	0	0	110.1	F921 R922 M924 K950	F921-C926 CarbonylContact C-O 3.57Å; F921-C926 VanDerWaalsContact C-O 3.23Å; F921-C926 HydrophobicContact CD1-CB 3.62Å; F921-C926 HydrophobicContact CE1-CB 4.22Å; F921-C926 CarbonylContact O-C 3.45Å; F921-C926 PolarHBondContact O-N 2.63Å; R922-C926 PolarHBondContact N-O 2.97Å; M924-C926 HydrophobicContact CB-CB 4.46Å; M924-C926 HydrophobicContact CE-CB 4.43Å; M924-C926 PolarHBondContact O-N 3.47Å; C926-K950 WeakPolarHBondContact CB-O 3.38Å
927	A	86.4	Confident	86.3	Confident	36 Å²	36	53.9 Å²	53.9	30%	0.298	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144	171.3	0	0	0	0	0	110.8	F921 K950 L957	F921-A927 VanDerWaalsContact CD1-C 3.48Å; F921-A927 WeakPolarHBondContact CD1-O 3.24Å; A927-K950 HydrophobicContact CB-CB 4.24Å; A927-K950 PolarHBondContact N-O 2.8Å; A927-K950 PolarHBondContact O-N 3.48Å; A927-L957 HydrophobicContact CB-CD1 4.28Å
928	G	89.1	Confident	85.6	Confident	4 Å²	4	58.5 Å²	58.5	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	141.5	177.2	0	0	0	0	0	110	S918 R948	S918-G928 PolarHBondContact OG-O 3.4Å; G928-R948 CarbonylContact C-O 3.58Å; G928-R948 VanDerWaalsContact CA-O 3.29Å; G928-R948 WeakPolarHBondContact CA-O 3.5Å
929	E	91	Very high	85.3	Confident	80 Å²	80	60.2 Å²	60.2	37%	0.374	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	149.6	174.7	-74.4	-174.5	158.1	0	0	110.2	N914 R948 L957	N914-E929 VanDerWaalsContact OD1-CA 3.29Å; N914-E929 WeakPolarHBondContact OD1-CA 3.38Å; E929-R948 PolarHBondContact N-O 2.95Å; E929-R948 PolarHBondContact O-N 2.98Å; E929-R948 IonicContact OE2-CZ 3.91Å; E929-R948 IonicContact OE2-NH1 3.59Å; E929-R948 PolarHBondContact OE2-NH1 3.27Å; E929-R948 IonicContact OE2-NH2 2.65Å; E929-R948 PolarHBondContact OE2-NH2 3.12Å; E929-L957 HydrophobicContact CB-CD2 4.02Å; E929-L957 HydrophobicContact CG-CD2 3.82Å
930	V	92.3	Very high	85.1	Confident	6 Å²	6	56.1 Å²	56.1	4%	0.036	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.5	169.6	-175.1	0	0	0	0	107.4	V910 I913 N914 F917 I945 R946 Y977	V910-V930 HydrophobicContact CG1-CG1 4.17Å; I913-V930 HydrophobicContact CG2-CG1 4.36Å; I913-V930 HydrophobicContact CG2-CG2 4.32Å; N914-V930 HydrophobicContact CB-CB 4.12Å; N914-V930 WeakPolarHBondContact CB-O 3.44Å; N914-V930 PolarHBondContact OD1-N 2.78Å; N914-V930 PolarHBondContact OD1-O 3.16Å; F917-V930 HydrophobicContact CB-CG2 3.81Å; F917-V930 HydrophobicContact CD1-CG2 3.5Å; F917-V930 VanDerWaalsContact CD1-CG2 3.5Å; F917-V930 HydrophobicContact CD2-CG2 4.37Å; F917-V930 HydrophobicContact CE1-CG2 4.08Å; F917-V930 HydrophobicContact CG-CG2 3.65Å; V930-I945 HydrophobicContact CG1-CG2 3.52Å; V930-R946 WeakPolarHBondContact CA-O 3.18Å; V930-Y977 HydrophobicContact CB-CE2 4.48Å; V930-Y977 HydrophobicContact CG1-CE2 3.78Å; V930-Y977 HydrophobicContact CG2-CD2 3.83Å; V930-Y977 HydrophobicContact CG2-CE2 3.82Å
931	D	91.8	Very high	85	Confident	25 Å²	25	59.8 Å²	59.8	13%	0.134	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.3	176.4	68	-93.7	0	0	0	112.6	R946 R948	D931-R946 PolarHBondContact N-O 3.14Å; D931-R946 PolarHBondContact O-N 2.11Å; D931-R946 IonicContact OD1-CZ 2.74Å; D931-R946 IonicContact OD1-NE 3.98Å; D931-R946 PolarHBondContact OD1-NE 2.64Å; D931-R946 VanDerWaalsContact OD1-NE 3.12Å; D931-R946 IonicContact OD1-NH2 3.96Å; D931-R946 IonicContact OD2-CZ 3.12Å; D931-R946 IonicContact OD2-NE 2.74Å; D931-R946 PolarHBondContact OD2-NE 2.88Å; D931-R946 IonicContact OD2-NH2 2.71Å; D931-R946 PolarHBondContact OD2-NH2 3.42Å; D931-R948 IonicContact OD1-CZ 3.72Å; D931-R948 IonicContact OD1-NE 2.7Å; D931-R948 PolarHBondContact OD1-NE 3.05Å; D931-R948 IonicContact OD1-NH2 2.76Å; D931-R948 PolarHBondContact OD1-NH2 2.86Å
932	L	92.8	Very high	85	Confident	38 Å²	38	63 Å²	63	20%	0.199	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	119.9	175.4	-173.2	66.2	0	0	0	109.1	L185 L903 L906 K907 V910 Y943	L185-L932 HydrophobicContact CD1-CD1 4.29Å; L185-L932 HydrophobicContact CD2-CD1 4.25Å; L903-L932 HydrophobicContact CD1-CD2 3.74Å; L906-L932 HydrophobicContact CD2-CD1 4.01Å; L906-L932 HydrophobicContact CD2-CD2 3.96Å; L906-L932 HydrophobicContact CG-CD1 4.44Å; L906-L932 HydrophobicContact CG-CD2 4.17Å; K907-L932 HydrophobicContact CG-CD2 4.32Å; V910-L932 HydrophobicContact CG1-CB 4.44Å; L932-Y943 HydrophobicContact CD1-CD1 4.22Å; L932-Y943 HydrophobicContact CD2-CD1 4Å; L932-Y943 HydrophobicContact CD2-CE1 4.18Å; L932-Y943 HydrophobicContact CG-CD1 4.06Å
933	H	89.4	Confident	85.3	Confident	51 Å²	51	55.3 Å²	55.3	24%	0.236	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.8	-175.5	176	63.5	0	0	0	111	G944 R946	H933-G944 PolarHBondContact N-O 3.35Å; H933-G944 PolarHBondContact O-N 3.16Å; H933-R946 HydrophobicContact CB-CB 3.92Å
934	S	85.9	Confident	85.7	Confident	42 Å²	42	52.1 Å²	52.1	29%	0.294	26%	0.262	S	S	.	.			trans	-147.3	133.4	175.7	55.2	0	0	0	0	109.5
935	E	77.7	Confident	86.3	Confident	142 Å²	142	52 Å²	52	66%	0.664	26%	0.262	S	S	*	.	S	Bend	trans	-73.9	-34.3	171.4	-62	-175.8	151.2	0	0	112.1	K942	E935-K942 WeakPolarHBondContact OE2-CD 3.07Å; E935-K942 WeakPolarHBondContact OE2-CE 3.4Å; E935-K942 IonicContact OE2-NZ 3.88Å; E935-K942 PolarHBondContact OE2-NZ 3.07Å
936	N	80.2	Confident	86.8	Confident	61 Å²	61	47.3 Å²	47.3	33%	0.326	24%	0.237	S	C	.	.			trans	-144.5	130.5	-176.6	-179.3	-6.2	0	0	0	108.7	E938 E939	N936-E938 PolarHBondContact O-N 3.2Å; N936-E938 PolarHBondContact OD1-N 3.22Å; N936-E938 VanDerWaalsContact OD1-N 3.11Å; N936-E939 HydrophobicContact CB-CB 4.19Å; N936-E939 HydrophobicContact CB-CG 4.08Å; N936-E939 PolarHBondContact O-N 2.99Å
937	E	78.9	Confident	87.1	Confident	108 Å²	108	47.2 Å²	47.2	51%	0.505	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-7.8	-178	-89.5	-149.2	-135.7	0	0	115.2	K899 Y943	K899-E937 PolarHBondContact NZ-O 2.85Å; K899-E937 IonicContact NZ-OE2 3.9Å; K899-E937 PolarHBondContact NZ-OE2 3.31Å; E937-Y943 WeakPolarHBondContact CA-OH 3.32Å; E937-Y943 PolarHBondContact O-OH 3.35Å
938	E	77.4	Confident	87.2	Confident	98 Å²	98	48 Å²	48	46%	0.458	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	3	177.3	-54	-176.2	173.8	0	0	113.4	R208 N936	R208-E938 IonicContact CZ-OE2 3.52Å; R208-E938 VanDerWaalsContact CZ-OE2 3.24Å; R208-E938 PolarHBondContact NE-O 3.43Å; R208-E938 IonicContact NH1-OE2 3.61Å; R208-E938 PolarHBondContact NH1-OE2 3.33Å; R208-E938 VanDerWaalsContact NH1-OE2 3.1Å; R208-E938 IonicContact NH2-OE2 3.37Å; R208-E938 PolarHBondContact NH2-OE2 3.47Å; N936-E938 PolarHBondContact O-N 3.2Å; N936-E938 PolarHBondContact OD1-N 3.22Å; N936-E938 VanDerWaalsContact OD1-N 3.11Å
939	E	83.1	Confident	87.2	Confident	43 Å²	43	48 Å²	48	20%	0.201	23%	0.23	C	C	.	.			trans	-109.4	74	178.5	-66.8	-173.4	144.2	0	0	109.6	N936 D941 K942	N936-E939 HydrophobicContact CB-CB 4.19Å; N936-E939 HydrophobicContact CB-CG 4.08Å; N936-E939 PolarHBondContact O-N 2.99Å; E939-D941 PolarHBondContact O-N 3.49Å; E939-D941 VanDerWaalsContact O-N 3.14Å; E939-K942 HydrophobicContact CB-CB 4.36Å; E939-K942 HydrophobicContact CB-CD 4.06Å; E939-K942 HydrophobicContact CB-CG 4.2Å; E939-K942 WeakPolarHBondContact O-CB 3.36Å; E939-K942 PolarHBondContact O-N 3.12Å; E939-K942 WeakPolarHBondContact OE2-CD 3.48Å; E939-K942 WeakPolarHBondContact OE2-CE 3.09Å; E939-K942 IonicContact OE2-NZ 3.23Å; E939-K942 PolarHBondContact OE2-NZ 3.45Å
940	Y	85.9	Confident	86.9	Confident	9 Å²	9	46.8 Å²	46.8	4%	0.035	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-54.5	-31.3	-176.9	-52.6	-62.5	0	0	0	113.1	H201 L204 R208 I895 K899 W902 K942 Y943	H201-Y940 PolarHBondContact NE2-O 2.97Å; H201-Y940 VanDerWaalsContact NE2-O 3.13Å; L204-Y940 HydrophobicContact CB-CD1 4.42Å; L204-Y940 HydrophobicContact CB-CD2 3.84Å; L204-Y940 HydrophobicContact CB-CE2 4.27Å; L204-Y940 HydrophobicContact CB-CG 3.93Å; L204-Y940 HydrophobicContact CD1-CD1 4.46Å; L204-Y940 HydrophobicContact CD2-CE1 4.45Å; L204-Y940 HydrophobicContact CD2-CE2 4.09Å; R208-Y940 HydrophobicContact CB-CD2 4.08Å; R208-Y940 HydrophobicContact CB-CE2 4.25Å; I895-Y940 HydrophobicContact CG2-CE2 4.33Å; I895-Y940 WeakPolarHBondContact CG2-OH 3.1Å; K899-Y940 HydrophobicContact CB-CE1 4.43Å; K899-Y940 HydrophobicContact CD-CE1 4.03Å; K899-Y940 HydrophobicContact CG-CE1 4.09Å; W902-Y940 AromaticContact CZ3-CD1 3.98Å; W902-Y940 HydrophobicContact CZ3-CD1 3.98Å; Y940-K942 PolarHBondContact O-N 3.05Å; Y940-Y943 HydrophobicContact CD1-CE2 4.23Å; Y940-Y943 PolarHBondContact O-N 3.31Å
941	D	85	Confident	86.4	Confident	88 Å²	88	47.8 Å²	47.8	47%	0.471	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-65.5	-18.1	174.8	59.5	-54.7	0	0	0	114.6	K205 E939	K205-D941 HydrophobicContact CD-CB 4.27Å; K205-D941 HydrophobicContact CG-CB 4.36Å; E939-D941 PolarHBondContact O-N 3.49Å; E939-D941 VanDerWaalsContact O-N 3.14Å
942	K	87.4	Confident	85.7	Confident	68 Å²	68	51.9 Å²	51.9	30%	0.296	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-100.4	-3.3	178.2	-65.6	-174.2	177.6	177.4	0	115.1	E935 E939 Y940 G944	E935-K942 WeakPolarHBondContact OE2-CD 3.07Å; E935-K942 WeakPolarHBondContact OE2-CE 3.4Å; E935-K942 IonicContact OE2-NZ 3.88Å; E935-K942 PolarHBondContact OE2-NZ 3.07Å; E939-K942 HydrophobicContact CB-CB 4.36Å; E939-K942 HydrophobicContact CB-CD 4.06Å; E939-K942 HydrophobicContact CB-CG 4.2Å; E939-K942 WeakPolarHBondContact O-CB 3.36Å; E939-K942 PolarHBondContact O-N 3.12Å; E939-K942 WeakPolarHBondContact OE2-CD 3.48Å; E939-K942 WeakPolarHBondContact OE2-CE 3.09Å; E939-K942 IonicContact OE2-NZ 3.23Å; E939-K942 PolarHBondContact OE2-NZ 3.45Å; Y940-K942 PolarHBondContact O-N 3.05Å; K942-G944 PolarHBondContact O-N 3.39Å
943	Y	91.3	Very high	84.5	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.016	27%	0.273	C	S	.	.			trans	-63	139.2	174.6	-84.5	-110.2	0	0	0	109.8	L185 W902 L903 L932 E937 Y940	L185-Y943 WeakPolarHBondContact CD2-O 3.46Å; W902-Y943 AromaticContact CH2-CD1 3.85Å; W902-Y943 HydrophobicContact CH2-CD1 3.85Å; W902-Y943 HydrophobicContact CH2-CD2 4.2Å; W902-Y943 HydrophobicContact CH2-CE1 4.35Å; W902-Y943 AromaticContact CH2-CG 3.75Å; W902-Y943 HydrophobicContact CH2-CG 3.75Å; W902-Y943 HydrophobicContact CZ3-CD1 4.29Å; W902-Y943 HydrophobicContact CZ3-CE1 4.33Å; W902-Y943 HydrophobicContact CZ3-CG 4.39Å; L903-Y943 HydrophobicContact CD1-CE1 3.85Å; L932-Y943 HydrophobicContact CD1-CD1 4.22Å; L932-Y943 HydrophobicContact CD2-CD1 4Å; L932-Y943 HydrophobicContact CD2-CE1 4.18Å; L932-Y943 HydrophobicContact CG-CD1 4.06Å; E937-Y943 WeakPolarHBondContact CA-OH 3.32Å; E937-Y943 PolarHBondContact O-OH 3.35Å; Y940-Y943 HydrophobicContact CD1-CE2 4.23Å; Y940-Y943 PolarHBondContact O-N 3.31Å
944	G	91.6	Very high	83.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	159.2	-178.1	0	0	0	0	0	112.9	K181 H933 K942	K181-G944 CarbonylContact O-C 3.53Å; K181-G944 WeakPolarHBondContact O-CA 3.23Å; H933-G944 PolarHBondContact N-O 3.35Å; H933-G944 PolarHBondContact O-N 3.16Å; K942-G944 PolarHBondContact O-N 3.39Å
945	I	91.1	Very high	82.6	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.8	174.7	-67.8	176.7	0	0	0	109.4	K181 L184 L185 T188 V910 V930 I947 Y977	K181-I945 WeakPolarHBondContact CA-O 3.18Å; K181-I945 WeakPolarHBondContact CB-O 3.32Å; K181-I945 PolarHBondContact O-N 3.12Å; L184-I945 HydrophobicContact CD2-CB 4Å; L184-I945 HydrophobicContact CD2-CG2 3.91Å; L184-I945 HydrophobicContact CG-CB 4.13Å; L184-I945 HydrophobicContact CG-CG2 4.38Å; L185-I945 HydrophobicContact CB-CD1 4.44Å; L185-I945 HydrophobicContact CB-CG1 4.06Å; L185-I945 HydrophobicContact CD1-CD1 4.08Å; L185-I945 HydrophobicContact CD1-CG1 4.03Å; T188-I945 HydrophobicContact CG2-CD1 3.79Å; V910-I945 HydrophobicContact CG2-CD1 4.37Å; V910-I945 HydrophobicContact CG2-CG1 4.48Å; V930-I945 HydrophobicContact CG1-CG2 3.52Å; I945-I947 HydrophobicContact CG2-CG1 4.46Å; I945-Y977 VanDerWaalsContact CD1-OH 3.3Å; I945-Y977 WeakPolarHBondContact CD1-OH 3.49Å; I945-Y977 HydrophobicContact CG2-CE2 4.36Å
946	R	90.4	Very high	82.6	Confident	73 Å²	73	59.2 Å²	59.2	28%	0.275	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.2	175.1	175.2	169.9	61.4	176.8	-3.7	109.4	V930 D931 H933 R948 E959	V930-R946 WeakPolarHBondContact CA-O 3.18Å; D931-R946 PolarHBondContact N-O 3.14Å; D931-R946 PolarHBondContact O-N 2.11Å; D931-R946 IonicContact OD1-CZ 2.74Å; D931-R946 IonicContact OD1-NE 3.98Å; D931-R946 PolarHBondContact OD1-NE 2.64Å; D931-R946 VanDerWaalsContact OD1-NE 3.12Å; D931-R946 IonicContact OD1-NH2 3.96Å; D931-R946 IonicContact OD2-CZ 3.12Å; D931-R946 IonicContact OD2-NE 2.74Å; D931-R946 PolarHBondContact OD2-NE 2.88Å; D931-R946 IonicContact OD2-NH2 2.71Å; D931-R946 PolarHBondContact OD2-NH2 3.42Å; H933-R946 HydrophobicContact CB-CB 3.92Å; R946-R948 HydrophobicContact CG-CG 4.08Å; R946-E959 WeakPolarHBondContact CD-OE2 3.46Å; R946-E959 HydrophobicContact CG-CG 4.08Å; R946-E959 WeakPolarHBondContact CG-OE2 3.46Å
947	I	89.7	Confident	82.7	Confident	14 Å²	14	59.2 Å²	59.2	7%	0.072	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.3	173.2	-59.1	175.2	0	0	0	108.2	L184 F917 I945 V949 L960 Y977	L184-I947 HydrophobicContact CD2-CD1 3.96Å; L184-I947 HydrophobicContact CD2-CG1 4.28Å; F917-I947 HydrophobicContact CE1-CG2 3.85Å; F917-I947 HydrophobicContact CE2-CG2 4.49Å; F917-I947 HydrophobicContact CZ-CG2 3.56Å; I945-I947 HydrophobicContact CG2-CG1 4.46Å; I947-V949 HydrophobicContact CG2-CG1 4.09Å; I947-L960 HydrophobicContact CB-CB 4.25Å; I947-L960 HydrophobicContact CB-CD2 4.48Å; I947-L960 HydrophobicContact CG2-CB 4.29Å; I947-L960 HydrophobicContact CG2-CD2 4.25Å; I947-L960 PolarHBondContact O-N 2.85Å; I947-Y977 HydrophobicContact CD1-CD1 4.03Å; I947-Y977 HydrophobicContact CD1-CD2 3.6Å; I947-Y977 HydrophobicContact CD1-CE1 4.42Å; I947-Y977 HydrophobicContact CD1-CE2 4.06Å; I947-Y977 HydrophobicContact CD1-CG 3.59Å; I947-Y977 HydrophobicContact CG1-CD2 4.12Å; I947-Y977 HydrophobicContact CG1-CE2 4.31Å
948	R	89	Confident	82.9	Confident	53 Å²	53	57.9 Å²	57.9	20%	0.2	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.9	176.6	-69.4	178.1	-71.9	109.3	10.5	109.5	G928 E929 D931 R946 L957 H958 E959	G928-R948 CarbonylContact C-O 3.58Å; G928-R948 VanDerWaalsContact CA-O 3.29Å; G928-R948 WeakPolarHBondContact CA-O 3.5Å; E929-R948 PolarHBondContact N-O 2.95Å; E929-R948 PolarHBondContact O-N 2.98Å; E929-R948 IonicContact OE2-CZ 3.91Å; E929-R948 IonicContact OE2-NH1 3.59Å; E929-R948 PolarHBondContact OE2-NH1 3.27Å; E929-R948 IonicContact OE2-NH2 2.65Å; E929-R948 PolarHBondContact OE2-NH2 3.12Å; D931-R948 IonicContact OD1-CZ 3.72Å; D931-R948 IonicContact OD1-NE 2.7Å; D931-R948 PolarHBondContact OD1-NE 3.05Å; D931-R948 IonicContact OD1-NH2 2.76Å; D931-R948 PolarHBondContact OD1-NH2 2.86Å; R946-R948 HydrophobicContact CG-CG 4.08Å; R948-L957 HydrophobicContact CB-CB 4.36Å; R948-L957 HydrophobicContact CB-CD2 4.2Å; R948-H958 CarbonylContact C-O 3.23Å; R948-H958 WeakPolarHBondContact CA-O 3.45Å; R948-E959 HydrophobicContact CG-CB 4.42Å
949	V	88.4	Confident	83.2	Confident	4 Å²	4	56 Å²	56	2%	0.024	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	151.9	-172.2	-67.7	0	0	0	0	113.1	F917 F921 I947 F951 H958 L960 Q965	F917-V949 HydrophobicContact CE1-CG1 4.17Å; F917-V949 HydrophobicContact CZ-CG1 3.97Å; F921-V949 HydrophobicContact CE1-CB 4.12Å; F921-V949 HydrophobicContact CE1-CG1 3.83Å; F921-V949 HydrophobicContact CE2-CG1 4.3Å; F921-V949 HydrophobicContact CZ-CB 4.33Å; F921-V949 HydrophobicContact CZ-CG1 3.6Å; I947-V949 HydrophobicContact CG2-CG1 4.09Å; V949-F951 HydrophobicContact CB-CD2 4.49Å; V949-F951 HydrophobicContact CB-CE2 4.09Å; V949-F951 HydrophobicContact CG2-CD2 4.38Å; V949-F951 HydrophobicContact CG2-CE2 3.96Å; V949-H958 PolarHBondContact N-O 2.96Å; V949-H958 PolarHBondContact O-N 3.41Å; V949-L960 HydrophobicContact CG2-CD1 3.84Å; V949-Q965 HydrophobicContact CG2-CG 4.15Å
950	K	86.7	Confident	83	Confident	54 Å²	54	55.9 Å²	55.9	24%	0.235	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	104.5	177.9	172.7	174.8	172.4	152.1	0	109.3	C926 A927 H952 S953 T955 L957	C926-K950 WeakPolarHBondContact CB-O 3.38Å; A927-K950 HydrophobicContact CB-CB 4.24Å; A927-K950 PolarHBondContact N-O 2.8Å; A927-K950 PolarHBondContact O-N 3.48Å; K950-H952 WeakPolarHBondContact CE-O 3.48Å; K950-H952 WeakPolarHBondContact CG-O 3.35Å; K950-S953 VanDerWaalsContact CE-O 3.28Å; K950-S953 WeakPolarHBondContact CE-O 3.37Å; K950-S953 PolarHBondContact NZ-O 3.06Å; K950-T955 VanDerWaalsContact CD-O 3.27Å; K950-T955 WeakPolarHBondContact CD-O 3.42Å; K950-T955 WeakPolarHBondContact CE-O 3.46Å; K950-T955 PolarHBondContact NZ-O 3.11Å; K950-L957 HydrophobicContact CB-CD1 3.84Å; K950-L957 HydrophobicContact CB-CG 3.98Å; K950-L957 HydrophobicContact CD-CD1 4.01Å
951	F	81.5	Confident	82.2	Confident	28 Å²	28	56.8 Å²	56.8	12%	0.123	29%	0.293	C	S	.	.			trans	-86.8	-26.8	178.9	-77.2	-85.7	0	0	0	113.9	F921 M924 V949 E969 V972 S973	F921-F951 HydrophobicContact CE1-CE1 4.01Å; F921-F951 HydrophobicContact CE1-CE2 4.12Å; F921-F951 AromaticContact CE1-CZ 3.72Å; F921-F951 HydrophobicContact CE1-CZ 3.72Å; F921-F951 HydrophobicContact CZ-CE1 4.39Å; F921-F951 HydrophobicContact CZ-CE2 4.38Å; F921-F951 AromaticContact CZ-CZ 3.83Å; F921-F951 HydrophobicContact CZ-CZ 3.83Å; M924-F951 HydrophobicContact CE-CE1 4.26Å; V949-F951 HydrophobicContact CB-CD2 4.49Å; V949-F951 HydrophobicContact CB-CE2 4.09Å; V949-F951 HydrophobicContact CG2-CD2 4.38Å; V949-F951 HydrophobicContact CG2-CE2 3.96Å; F951-E969 WeakPolarHBondContact CB-OE1 3.46Å; F951-E969 HydrophobicContact CD1-CG 4.14Å; F951-E969 HydrophobicContact CD2-CB 3.92Å; F951-E969 HydrophobicContact CD2-CG 3.76Å; F951-E969 HydrophobicContact CE1-CB 4.47Å; F951-E969 HydrophobicContact CE1-CG 4.28Å; F951-E969 HydrophobicContact CE2-CB 3.61Å; F951-E969 HydrophobicContact CE2-CG 3.93Å; F951-E969 HydrophobicContact CG-CB 4.48Å; F951-E969 HydrophobicContact CG-CG 3.88Å; F951-E969 HydrophobicContact CZ-CB 3.91Å; F951-E969 HydrophobicContact CZ-CG 4.18Å; F951-E969 WeakPolarHBondContact CZ-O 3.38Å; F951-V972 HydrophobicContact CE1-CB 4.38Å; F951-V972 HydrophobicContact CE1-CG1 4.05Å; F951-V972 HydrophobicContact CZ-CB 4.33Å; F951-V972 HydrophobicContact CZ-CG1 4.27Å; F951-S973 WeakPolarHBondContact CE2-OG 3.38Å; F951-S973 WeakPolarHBondContact CZ-OG 3.36Å
952	H	77	Confident	81.3	Confident	110 Å²	110	56.6 Å²	56.6	51%	0.509	30%	0.297	S	S	.	.	S	Bend	trans	-117.8	142.9	-175.3	-65.4	86.1	0	0	0	110.4	K950 S954 T955 E969	K950-H952 WeakPolarHBondContact CE-O 3.48Å; K950-H952 WeakPolarHBondContact CG-O 3.35Å; H952-S954 PolarHBondContact O-N 3.27Å; H952-T955 HydrophobicContact CB-CG2 4.32Å; H952-T955 PolarHBondContact O-N 3.07Å; H952-T955 PolarHBondContact O-OG1 3.08Å; H952-E969 IonicContact CE1-OE1 2.64Å
953	S	66	Low	80.1	Confident	114 Å²	114	61.5 Å²	61.5	80%	0.797	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-30.4	-177.4	53.6	0	0	0	0	113.6	K950	K950-S953 VanDerWaalsContact CE-O 3.28Å; K950-S953 WeakPolarHBondContact CE-O 3.37Å; K950-S953 PolarHBondContact NZ-O 3.06Å
954	S	65.5	Low	78.7	Confident	108 Å²	108	67.6 Å²	67.6	76%	0.755	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-17.5	-178.4	51.4	0	0	0	0	115.5	H952	H952-S954 PolarHBondContact O-N 3.27Å
955	T	71.6	Confident	77.6	Confident	55 Å²	55	68.6 Å²	68.6	34%	0.337	35%	0.354	S	S	.	.	S	Bend	trans	-89.9	167.4	-179.8	58.2	0	0	0	0	112.2	K950 H952	K950-T955 VanDerWaalsContact CD-O 3.27Å; K950-T955 WeakPolarHBondContact CD-O 3.42Å; K950-T955 WeakPolarHBondContact CE-O 3.46Å; K950-T955 PolarHBondContact NZ-O 3.11Å; H952-T955 HydrophobicContact CB-CG2 4.32Å; H952-T955 PolarHBondContact O-N 3.07Å; H952-T955 PolarHBondContact O-OG1 3.08Å
956	Q	76.8	Confident	76.7	Confident	151 Å²	151	71.4 Å²	71.4	71%	0.706	37%	0.374	S	S	*	.			trans	-90.4	172.5	170.5	-62.6	-173.5	0.5	0	0	110.3	H958	Q956-H958 PolarHBondContact O-CD2 3.11Å; Q956-H958 PolarHBondContact O-N 3.39Å
957	L	83.4	Confident	75.7	Confident	61 Å²	61	70.6 Å²	70.6	32%	0.319	39%	0.388	S	S	.	.			trans	-72.1	112.8	167.9	-92.5	83.5	0	0	0	108.7	A927 E929 R948 K950	A927-L957 HydrophobicContact CB-CD1 4.28Å; E929-L957 HydrophobicContact CB-CD2 4.02Å; E929-L957 HydrophobicContact CG-CD2 3.82Å; R948-L957 HydrophobicContact CB-CB 4.36Å; R948-L957 HydrophobicContact CB-CD2 4.2Å; K950-L957 HydrophobicContact CB-CD1 3.84Å; K950-L957 HydrophobicContact CB-CG 3.98Å; K950-L957 HydrophobicContact CD-CD1 4.01Å
958	H	81.6	Confident	74.9	Confident	80 Å²	80	70.7 Å²	70.7	37%	0.37	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	146.5	176.4	-67.9	-80.3	0	0	0	110.8	R948 V949 Q956 Q965	R948-H958 CarbonylContact C-O 3.23Å; R948-H958 WeakPolarHBondContact CA-O 3.45Å; V949-H958 PolarHBondContact N-O 2.96Å; V949-H958 PolarHBondContact O-N 3.41Å; Q956-H958 PolarHBondContact O-CD2 3.11Å; Q956-H958 PolarHBondContact O-N 3.39Å; H958-Q965 PolarHBondContact O-NE2 3.25Å
959	E	84.8	Confident	74.5	Confident	59 Å²	59	70 Å²	70	28%	0.276	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	137.6	173.5	-170.5	174.8	108.1	0	0	110.7	K181 R946 R948 T961 Q965	K181-E959 VanDerWaalsContact CE-CD 3.45Å; K181-E959 WeakPolarHBondContact CE-OE1 3.28Å; K181-E959 IonicContact NZ-OE1 3.28Å; K181-E959 PolarHBondContact NZ-OE1 3.38Å; K181-E959 IonicContact NZ-OE2 2.8Å; K181-E959 PolarHBondContact NZ-OE2 3Å; R946-E959 WeakPolarHBondContact CD-OE2 3.46Å; R946-E959 HydrophobicContact CG-CG 4.08Å; R946-E959 WeakPolarHBondContact CG-OE2 3.46Å; R948-E959 HydrophobicContact CG-CB 4.42Å; E959-T961 HydrophobicContact CB-CG2 4.23Å; E959-T961 HydrophobicContact CG-CG2 4.1Å; E959-T961 PolarHBondContact O-N 3.4Å; E959-T961 PolarHBondContact O-OG1 3.5Å; E959-Q965 PolarHBondContact O-NE2 3.43Å; E959-Q965 PolarHBondContact O-OE1 3.28Å
960	L	77.4	Confident	74	Confident	39 Å²	39	72.5 Å²	72.5	20%	0.204	40%	0.4	C	S	.	.			trans	-68.1	98.6	-178.7	-168.6	70.9	0	0	0	110.1	I947 V949 Q965 R970	I947-L960 HydrophobicContact CB-CB 4.25Å; I947-L960 HydrophobicContact CB-CD2 4.48Å; I947-L960 HydrophobicContact CG2-CB 4.29Å; I947-L960 HydrophobicContact CG2-CD2 4.25Å; I947-L960 PolarHBondContact O-N 2.85Å; V949-L960 HydrophobicContact CG2-CD1 3.84Å; L960-Q965 HydrophobicContact CD1-CG 4.38Å; L960-R970 HydrophobicContact CD1-CG 3.99Å
961	T	70.7	Confident	73.5	Confident	28 Å²	28	71.9 Å²	71.9	17%	0.172	40%	0.403	C	S	.	.			trans	-136.1	151.2	-170.4	52.2	0	0	0	0	111.2	E959 H963 H964 Q965	E959-T961 HydrophobicContact CB-CG2 4.23Å; E959-T961 HydrophobicContact CG-CG2 4.1Å; E959-T961 PolarHBondContact O-N 3.4Å; E959-T961 PolarHBondContact O-OG1 3.5Å; T961-H963 PolarHBondContact O-N 3.4Å; T961-H964 PolarHBondContact O-N 2.99Å; T961-H964 PolarHBondContact OG1-ND1 3.26Å; T961-Q965 PolarHBondContact O-OE1 2.99Å
962	P	64.8	Low	73.4	Confident	85 Å²	85	70.6 Å²	70.6	55%	0.552	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-11.4	-178.2	-25.7	35.6	0	0	0	116.3
963	H	63.6	Low	73.8	Confident	170 Å²	170	65.3 Å²	65.3	79%	0.787	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-16.4	-173.3	-55	-70.1	0	0	0	114.5	T961	T961-H963 PolarHBondContact O-N 3.4Å
964	H	62.3	Low	74.5	Confident	132 Å²	132	60.3 Å²	60.3	61%	0.611	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-20	-171	-67.3	99.9	0	0	0	115.1	T961	T961-H964 PolarHBondContact O-N 2.99Å; T961-H964 PolarHBondContact OG1-ND1 3.26Å
965	Q	66.7	Low	75.1	Confident	21 Å²	21	55.2 Å²	55.2	10%	0.098	30%	0.302	C	S	.	.	S	Bend	trans	-126.1	146.5	179.5	-58.4	87.8	6.4	0	0	111	V949 H958 E959 L960 T961 E969 R970	V949-Q965 HydrophobicContact CG2-CG 4.15Å; H958-Q965 PolarHBondContact O-NE2 3.25Å; E959-Q965 PolarHBondContact O-NE2 3.43Å; E959-Q965 PolarHBondContact O-OE1 3.28Å; L960-Q965 HydrophobicContact CD1-CG 4.38Å; T961-Q965 PolarHBondContact O-OE1 2.99Å; Q965-E969 HydrophobicContact CB-CB 4.11Å; Q965-R970 HydrophobicContact CB-CG 3.99Å
966	S	72.5	Confident	75.8	Confident	61 Å²	61	52.6 Å²	52.6	43%	0.427	29%	0.286	S	S	.	.			trans	-64.2	162.2	176.8	67.2	0	0	0	0	112.4	G968 E969 R970	S966-G968 PolarHBondContact O-N 3.33Å; S966-E969 VanDerWaalsContact CB-OE2 3.22Å; S966-E969 WeakPolarHBondContact CB-OE2 3.37Å; S966-E969 PolarHBondContact N-OE2 3.1Å; S966-E969 PolarHBondContact O-N 2.99Å; S966-E969 WeakPolarHBondContact OG-CB 3.36Å; S966-E969 VanDerWaalsContact OG-CG 3.29Å; S966-E969 WeakPolarHBondContact OG-CG 3.47Å; S966-E969 PolarHBondContact OG-N 3.46Å; S966-E969 PolarHBondContact OG-OE2 3.48Å; S966-R970 WeakPolarHBondContact O-CB 3.36Å; S966-R970 WeakPolarHBondContact O-CG 3.44Å; S966-R970 PolarHBondContact O-N 3.35Å
967	G	70.3	Confident	76.3	Confident	56 Å²	56	45.4 Å²	45.4	58%	0.577	25%	0.252	S	S	*	.	H	α-helix	trans	-56.8	-37.9	175.4	0	0	0	0	0	113.1	S971	G967-S971 PolarHBondContact O-N 3.09Å; G967-S971 PolarHBondContact O-OG 3.43Å; G967-S971 VanDerWaalsContact O-OG 3.13Å
968	G	72.8	Confident	76.2	Confident	15 Å²	15	42.6 Å²	42.6	16%	0.155	24%	0.237	C	C	.	.	H	α-helix	trans	-65.8	-51.9	175.8	0	0	0	0	0	112.4	S966 R970 S971 V972	S966-G968 PolarHBondContact O-N 3.33Å; G968-R970 VanDerWaalsContact C-N 3.27Å; G968-R970 PolarHBondContact O-N 3.34Å; G968-S971 PolarHBondContact O-N 2.8Å; G968-S971 VanDerWaalsContact O-N 3.12Å; G968-V972 WeakPolarHBondContact O-CG2 3.47Å; G968-V972 PolarHBondContact O-N 3.23Å
969	E	79.6	Confident	76.1	Confident	38 Å²	38	38.9 Å²	38.9	18%	0.178	22%	0.22	C	C	.	.	H	α-helix	trans	-58.2	-37.9	176.9	-73.4	165.6	124.3	0	0	112.2	F951 H952 Q965 S966 S973	F951-E969 WeakPolarHBondContact CB-OE1 3.46Å; F951-E969 HydrophobicContact CD1-CG 4.14Å; F951-E969 HydrophobicContact CD2-CB 3.92Å; F951-E969 HydrophobicContact CD2-CG 3.76Å; F951-E969 HydrophobicContact CE1-CB 4.47Å; F951-E969 HydrophobicContact CE1-CG 4.28Å; F951-E969 HydrophobicContact CE2-CB 3.61Å; F951-E969 HydrophobicContact CE2-CG 3.93Å; F951-E969 HydrophobicContact CG-CB 4.48Å; F951-E969 HydrophobicContact CG-CG 3.88Å; F951-E969 HydrophobicContact CZ-CB 3.91Å; F951-E969 HydrophobicContact CZ-CG 4.18Å; F951-E969 WeakPolarHBondContact CZ-O 3.38Å; H952-E969 IonicContact CE1-OE1 2.64Å; Q965-E969 HydrophobicContact CB-CB 4.11Å; S966-E969 VanDerWaalsContact CB-OE2 3.22Å; S966-E969 WeakPolarHBondContact CB-OE2 3.37Å; S966-E969 PolarHBondContact N-OE2 3.1Å; S966-E969 PolarHBondContact O-N 2.99Å; S966-E969 WeakPolarHBondContact OG-CB 3.36Å; S966-E969 VanDerWaalsContact OG-CG 3.29Å; S966-E969 WeakPolarHBondContact OG-CG 3.47Å; S966-E969 PolarHBondContact OG-N 3.46Å; S966-E969 PolarHBondContact OG-OE2 3.48Å; E969-S973 WeakPolarHBondContact O-CB 3.47Å; E969-S973 PolarHBondContact O-N 3.28Å; E969-S973 PolarHBondContact O-OG 3.49Å
970	R	78	Confident	76.1	Confident	57 Å²	57	36 Å²	36	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-44.5	173.9	-74.2	-178.5	60.5	-156.1	-3	112.4	A177 L960 Q965 S966 G968 S973 T974	A177-R970 PolarHBondContact O-NH2 2.98Å; L960-R970 HydrophobicContact CD1-CG 3.99Å; Q965-R970 HydrophobicContact CB-CG 3.99Å; S966-R970 WeakPolarHBondContact O-CB 3.36Å; S966-R970 WeakPolarHBondContact O-CG 3.44Å; S966-R970 PolarHBondContact O-N 3.35Å; G968-R970 VanDerWaalsContact C-N 3.27Å; G968-R970 PolarHBondContact O-N 3.34Å; R970-S973 PolarHBondContact O-N 3.07Å; R970-T974 WeakPolarHBondContact O-CB 3.4Å; R970-T974 PolarHBondContact O-N 2.99Å; R970-T974 PolarHBondContact O-OG1 3.28Å
971	S	76.4	Confident	76.4	Confident	42 Å²	42	34.2 Å²	34.2	29%	0.294	20%	0.197	S	C	.	.	H	α-helix	trans	-61.2	-44.6	174.3	-65.8	0	0	0	0	112.3	G967 G968 T974 M975	G967-S971 PolarHBondContact O-N 3.09Å; G967-S971 PolarHBondContact O-OG 3.43Å; G967-S971 VanDerWaalsContact O-OG 3.13Å; G968-S971 PolarHBondContact O-N 2.8Å; G968-S971 VanDerWaalsContact O-N 3.12Å; S971-T974 PolarHBondContact O-N 3.3Å; S971-M975 WeakPolarHBondContact O-CB 3.24Å; S971-M975 PolarHBondContact O-N 3.07Å
972	V	80.8	Confident	76.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.7	-49.5	176	175.6	0	0	0	0	111	M924 F951 G968 T974 M975 L976 M999 N1003 V1007	M924-V972 HydrophobicContact CE-CG1 3.7Å; M924-V972 HydrophobicContact SD-CG1 3.95Å; F951-V972 HydrophobicContact CE1-CB 4.38Å; F951-V972 HydrophobicContact CE1-CG1 4.05Å; F951-V972 HydrophobicContact CZ-CB 4.33Å; F951-V972 HydrophobicContact CZ-CG1 4.27Å; G968-V972 WeakPolarHBondContact O-CG2 3.47Å; G968-V972 PolarHBondContact O-N 3.23Å; V972-T974 VanDerWaalsContact C-N 3.3Å; V972-T974 PolarHBondContact O-N 3.4Å; V972-M975 PolarHBondContact O-N 3.33Å; V972-L976 HydrophobicContact CG1-CD1 4.21Å; V972-L976 HydrophobicContact CG1-CG 4.5Å; V972-L976 WeakPolarHBondContact O-CG 3.23Å; V972-L976 PolarHBondContact O-N 3.23Å; V972-M999 HydrophobicContact CG2-CG 3.9Å; V972-M999 HydrophobicContact CG2-SD 3.61Å; V972-N1003 HydrophobicContact CG2-CB 3.64Å; V972-V1007 HydrophobicContact CG1-CG2 4.36Å
973	S	84.9	Confident	77.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.4	-42.2	179.2	-55	0	0	0	0	111.8	F917 F951 E969 R970 Y977	F917-S973 WeakPolarHBondContact CE2-O 3.48Å; F951-S973 WeakPolarHBondContact CE2-OG 3.38Å; F951-S973 WeakPolarHBondContact CZ-OG 3.36Å; E969-S973 WeakPolarHBondContact O-CB 3.47Å; E969-S973 PolarHBondContact O-N 3.28Å; E969-S973 PolarHBondContact O-OG 3.49Å; R970-S973 PolarHBondContact O-N 3.07Å; S973-Y977 WeakPolarHBondContact O-CB 3.44Å; S973-Y977 PolarHBondContact O-N 3.13Å; S973-Y977 VanDerWaalsContact O-N 3.12Å
974	T	80.3	Confident	78.3	Confident	8 Å²	8	25.3 Å²	25.3	5%	0.049	15%	0.148	C	C	.	.	H	α-helix	trans	-69.5	-41.1	-179.3	-52.2	0	0	0	0	111.2	F176 A177 R970 S971 V972 Y977 L978	F176-T974 HydrophobicContact CD1-CG2 3.6Å; F176-T974 HydrophobicContact CE1-CG2 4.3Å; F176-T974 HydrophobicContact CG-CG2 4.49Å; A177-T974 HydrophobicContact CB-CG2 4.09Å; R970-T974 WeakPolarHBondContact O-CB 3.4Å; R970-T974 PolarHBondContact O-N 2.99Å; R970-T974 PolarHBondContact O-OG1 3.28Å; S971-T974 PolarHBondContact O-N 3.3Å; V972-T974 VanDerWaalsContact C-N 3.3Å; V972-T974 PolarHBondContact O-N 3.4Å; T974-Y977 PolarHBondContact O-N 3.12Å; T974-L978 HydrophobicContact CG2-CD1 4.14Å; T974-L978 WeakPolarHBondContact O-CG 3.26Å; T974-L978 PolarHBondContact O-N 2.86Å
975	M	79.1	Confident	79	Confident	2 Å²	2	19.8 Å²	19.8	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-63.5	-48.4	176.3	175.6	47.5	169.1	0	0	111.8	S971 V972 Y977 L978 M979 I995 V1007 V1011	S971-M975 WeakPolarHBondContact O-CB 3.24Å; S971-M975 PolarHBondContact O-N 3.07Å; V972-M975 PolarHBondContact O-N 3.33Å; M975-Y977 VanDerWaalsContact C-N 3.25Å; M975-Y977 PolarHBondContact O-N 3.27Å; M975-L978 CarbonylContact O-C 3.56Å; M975-L978 WeakPolarHBondContact O-CB 3.4Å; M975-L978 PolarHBondContact O-N 3.15Å; M975-L978 VanDerWaalsContact O-N 3.14Å; M975-M979 HydrophobicContact CE-CG 3.82Å; M975-M979 HydrophobicContact CE-SD 3.69Å; M975-M979 HydrophobicContact CG-CG 4.5Å; M975-M979 HydrophobicContact CG-SD 4.39Å; M975-M979 WeakPolarHBondContact O-CG 3.06Å; M975-M979 PolarHBondContact O-N 3.47Å; M975-M979 HydrophobicContact SD-CG 3.85Å; M975-M979 HydrophobicContact SD-SD 4.25Å; M975-I995 HydrophobicContact CB-CG2 4.23Å; M975-I995 HydrophobicContact CE-CD1 3.82Å; M975-I995 HydrophobicContact CE-CG2 4.22Å; M975-I995 HydrophobicContact CG-CG2 3.96Å; M975-I995 HydrophobicContact SD-CD1 3.68Å; M975-I995 HydrophobicContact SD-CG2 3.78Å; M975-V1007 HydrophobicContact CE-CG1 3.96Å; M975-V1007 HydrophobicContact CG-CG1 3.63Å; M975-V1011 HydrophobicContact CE-CG2 3.72Å
976	L	84.9	Confident	79.2	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.2	-28.6	179.3	-64.4	-175.6	0	0	0	113.1	F917 F920 F921 M924 V972 M979 A980 I1010	F917-L976 HydrophobicContact CD2-CB 4.4Å; F917-L976 HydrophobicContact CE2-CB 4.25Å; F920-L976 HydrophobicContact CB-CB 4.44Å; F920-L976 HydrophobicContact CB-CD1 4.21Å; F920-L976 HydrophobicContact CB-CD2 4.16Å; F921-L976 HydrophobicContact CD2-CB 4.37Å; F921-L976 HydrophobicContact CD2-CD1 3.81Å; F921-L976 HydrophobicContact CE2-CB 4.04Å; F921-L976 HydrophobicContact CE2-CD1 3.73Å; F921-L976 HydrophobicContact CE2-CG 4.47Å; F921-L976 HydrophobicContact CZ-CD1 4.44Å; M924-L976 HydrophobicContact CE-CD1 3.35Å; M924-L976 HydrophobicContact SD-CD1 3.76Å; V972-L976 HydrophobicContact CG1-CD1 4.21Å; V972-L976 HydrophobicContact CG1-CG 4.5Å; V972-L976 WeakPolarHBondContact O-CG 3.23Å; V972-L976 PolarHBondContact O-N 3.23Å; L976-M979 HydrophobicContact CD2-SD 4.02Å; L976-A980 PolarHBondContact O-N 3.1Å; L976-I1010 HydrophobicContact CD2-CD1 3.88Å
977	Y	86.9	Confident	79.6	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.9	-47.9	170.1	-175.4	-100.3	0	0	0	111.7	F176 L184 T188 I913 F917 V930 I945 I947 S973 T974 M975 M979 A980 L981	F176-Y977 AromaticContact CE1-CD1 3.77Å; F176-Y977 HydrophobicContact CE1-CD1 3.77Å; F176-Y977 HydrophobicContact CE1-CE1 4.09Å; F176-Y977 AromaticContact CZ-CD1 3.98Å; F176-Y977 HydrophobicContact CZ-CD1 3.98Å; F176-Y977 AromaticContact CZ-CE1 3.93Å; F176-Y977 HydrophobicContact CZ-CE1 3.93Å; L184-Y977 HydrophobicContact CD1-CD1 4.34Å; L184-Y977 HydrophobicContact CD1-CE1 3.71Å; L184-Y977 HydrophobicContact CG-CE1 4.3Å; T188-Y977 PolarHBondContact OG1-OH 3.42Å; T188-Y977 VanDerWaalsContact OG1-OH 3.09Å; I913-Y977 HydrophobicContact CG2-CD2 4.16Å; I913-Y977 HydrophobicContact CG2-CE2 3.55Å; F917-Y977 HydrophobicContact CD2-CD2 4.26Å; F917-Y977 HydrophobicContact CE2-CD2 4.45Å; V930-Y977 HydrophobicContact CB-CE2 4.48Å; V930-Y977 HydrophobicContact CG1-CE2 3.78Å; V930-Y977 HydrophobicContact CG2-CD2 3.83Å; V930-Y977 HydrophobicContact CG2-CE2 3.82Å; I945-Y977 VanDerWaalsContact CD1-OH 3.3Å; I945-Y977 WeakPolarHBondContact CD1-OH 3.49Å; I945-Y977 HydrophobicContact CG2-CE2 4.36Å; I947-Y977 HydrophobicContact CD1-CD1 4.03Å; I947-Y977 HydrophobicContact CD1-CD2 3.6Å; I947-Y977 HydrophobicContact CD1-CE1 4.42Å; I947-Y977 HydrophobicContact CD1-CE2 4.06Å; I947-Y977 HydrophobicContact CD1-CG 3.59Å; I947-Y977 HydrophobicContact CG1-CD2 4.12Å; I947-Y977 HydrophobicContact CG1-CE2 4.31Å; S973-Y977 WeakPolarHBondContact O-CB 3.44Å; S973-Y977 PolarHBondContact O-N 3.13Å; S973-Y977 VanDerWaalsContact O-N 3.12Å; T974-Y977 PolarHBondContact O-N 3.12Å; M975-Y977 VanDerWaalsContact C-N 3.25Å; M975-Y977 PolarHBondContact O-N 3.27Å; Y977-M979 VanDerWaalsContact C-N 3.27Å; Y977-M979 PolarHBondContact O-N 3.29Å; Y977-A980 WeakPolarHBondContact O-CB 3.35Å; Y977-A980 PolarHBondContact O-N 2.64Å; Y977-A980 VanDerWaalsContact O-N 3.1Å; Y977-L981 HydrophobicContact CD1-CD1 4.11Å; Y977-L981 HydrophobicContact CD1-CG 4.28Å; Y977-L981 HydrophobicContact CE1-CD1 3.61Å; Y977-L981 HydrophobicContact CE1-CD2 4.2Å; Y977-L981 HydrophobicContact CE1-CG 3.91Å; Y977-L981 WeakPolarHBondContact O-CG 3.44Å; Y977-L981 PolarHBondContact O-N 3.25Å
978	L	81.8	Confident	80.3	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-59.7	-36	174.2	-74.3	162.3	0	0	0	112.3	L168 F176 T974 M975 L981 Q982	L168-L978 HydrophobicContact CD2-CD1 3.8Å; F176-L978 HydrophobicContact CD1-CD1 4.26Å; F176-L978 HydrophobicContact CD1-CD2 4.23Å; F176-L978 HydrophobicContact CD1-CG 4.25Å; F176-L978 HydrophobicContact CD2-CD2 3.89Å; F176-L978 HydrophobicContact CE1-CD2 3.98Å; F176-L978 HydrophobicContact CE1-CG 4.08Å; F176-L978 HydrophobicContact CE2-CD2 3.63Å; F176-L978 HydrophobicContact CG-CD1 4.37Å; F176-L978 HydrophobicContact CG-CD2 4.17Å; F176-L978 HydrophobicContact CZ-CD2 3.66Å; F176-L978 HydrophobicContact CZ-CG 4.25Å; T974-L978 HydrophobicContact CG2-CD1 4.14Å; T974-L978 WeakPolarHBondContact O-CG 3.26Å; T974-L978 PolarHBondContact O-N 2.86Å; M975-L978 CarbonylContact O-C 3.56Å; M975-L978 WeakPolarHBondContact O-CB 3.4Å; M975-L978 PolarHBondContact O-N 3.15Å; M975-L978 VanDerWaalsContact O-N 3.14Å; L978-L981 PolarHBondContact O-N 3.25Å; L978-Q982 WeakPolarHBondContact O-CB 3.43Å; L978-Q982 WeakPolarHBondContact O-CG 3.24Å; L978-Q982 PolarHBondContact O-N 2.99Å
979	M	79.8	Confident	81	Confident	2 Å²	2	23.9 Å²	23.9	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-67.2	-37.6	173.7	-69.8	-172	73.3	0	0	112.8	F920 M975 L976 Y977 Q982 E983 I1010 V1011	F920-M979 HydrophobicContact CD2-CB 4.33Å; F920-M979 HydrophobicContact CE2-CB 3.95Å; M975-M979 HydrophobicContact CE-CG 3.82Å; M975-M979 HydrophobicContact CE-SD 3.69Å; M975-M979 HydrophobicContact CG-CG 4.5Å; M975-M979 HydrophobicContact CG-SD 4.39Å; M975-M979 WeakPolarHBondContact O-CG 3.06Å; M975-M979 PolarHBondContact O-N 3.47Å; M975-M979 HydrophobicContact SD-CG 3.85Å; M975-M979 HydrophobicContact SD-SD 4.25Å; L976-M979 HydrophobicContact CD2-SD 4.02Å; Y977-M979 VanDerWaalsContact C-N 3.27Å; Y977-M979 PolarHBondContact O-N 3.29Å; M979-Q982 PolarHBondContact O-N 3.02Å; M979-E983 PolarHBondContact O-N 3.36Å; M979-I1010 HydrophobicContact CE-CB 4.39Å; M979-I1010 HydrophobicContact CE-CG2 3.72Å; M979-I1010 HydrophobicContact SD-CG2 4.21Å; M979-V1011 HydrophobicContact CE-CB 4.24Å; M979-V1011 HydrophobicContact CE-CG2 3.56Å; M979-V1011 HydrophobicContact SD-CG2 3.77Å
980	A	85.8	Confident	81.4	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.8	-43	174.4	0	0	0	0	0	111.5	I913 K916 F917 F920 L976 Y977 Q982 E983	I913-A980 HydrophobicContact CG2-CB 4.31Å; K916-A980 HydrophobicContact CB-CB 3.85Å; F917-A980 HydrophobicContact CB-CB 4.34Å; F920-A980 HydrophobicContact CD2-CB 4.45Å; F920-A980 HydrophobicContact CE2-CB 4.23Å; L976-A980 PolarHBondContact O-N 3.1Å; Y977-A980 WeakPolarHBondContact O-CB 3.35Å; Y977-A980 PolarHBondContact O-N 2.64Å; Y977-A980 VanDerWaalsContact O-N 3.1Å; A980-Q982 VanDerWaalsContact C-N 3.31Å; A980-Q982 PolarHBondContact O-N 2.76Å; A980-E983 PolarHBondContact O-N 3.46Å
981	L	83.7	Confident	81.8	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-60.3	-40.4	170.7	-63.8	-172.1	0	0	0	112.1	C165 F176 T188 V192 I913 Y977 L978 L984 N985	C165-L981 VanDerWaalsContact SG-CB 3.53Å; F176-L981 HydrophobicContact CZ-CD1 4.19Å; T188-L981 HydrophobicContact CG2-CD2 3.75Å; V192-L981 HydrophobicContact CG2-CB 3.8Å; V192-L981 HydrophobicContact CG2-CD2 3.91Å; V192-L981 HydrophobicContact CG2-CG 4.32Å; I913-L981 HydrophobicContact CD1-CD2 3.49Å; I913-L981 VanDerWaalsContact CD1-CD2 3.49Å; I913-L981 HydrophobicContact CG1-CD2 3.85Å; I913-L981 HydrophobicContact CG2-CD2 4.15Å; Y977-L981 HydrophobicContact CD1-CD1 4.11Å; Y977-L981 HydrophobicContact CD1-CG 4.28Å; Y977-L981 HydrophobicContact CE1-CD1 3.61Å; Y977-L981 HydrophobicContact CE1-CD2 4.2Å; Y977-L981 HydrophobicContact CE1-CG 3.91Å; Y977-L981 WeakPolarHBondContact O-CG 3.44Å; Y977-L981 PolarHBondContact O-N 3.25Å; L978-L981 PolarHBondContact O-N 3.25Å; L981-L984 PolarHBondContact O-N 3.27Å; L981-N985 PolarHBondContact O-N 2.68Å; L981-N985 VanDerWaalsContact O-N 3.13Å
982	Q	79.4	Confident	82.2	Confident	4 Å²	4	17.9 Å²	17.9	2%	0.019	8%	0.077	C	C	.	.	H	α-helix	trans	-67	-40.2	179.3	-82	174.9	-13.7	0	0	113.4	C165 L978 M979 A980 L984 N985 R990 Y1023	C165-Q982 HydrophobicContact CB-CG 4.06Å; C165-Q982 VanDerWaalsContact O-CG 3.22Å; C165-Q982 WeakPolarHBondContact O-CG 3.42Å; C165-Q982 PolarHBondContact O-NE2 3.23Å; L978-Q982 WeakPolarHBondContact O-CB 3.43Å; L978-Q982 WeakPolarHBondContact O-CG 3.24Å; L978-Q982 PolarHBondContact O-N 2.99Å; M979-Q982 PolarHBondContact O-N 3.02Å; A980-Q982 VanDerWaalsContact C-N 3.31Å; A980-Q982 PolarHBondContact O-N 2.76Å; Q982-L984 PolarHBondContact O-N 3.19Å; Q982-N985 PolarHBondContact O-N 3.36Å; Q982-R990 PolarHBondContact O-NE 2.98Å; Q982-R990 PolarHBondContact O-NH2 3.09Å; Q982-Y1023 PolarHBondContact OE1-OH 3.38Å
983	E	78.6	Confident	82.3	Confident	44 Å²	44	18.2 Å²	18.2	21%	0.206	8%	0.078	C	C	.	.	H	α-helix	trans	-64.4	-32.1	179.7	-166.9	170.8	-155.3	0	0	111.7	K916 M979 A980 K1017	K916-E983 VanDerWaalsContact CD-OE2 3.31Å; K916-E983 WeakPolarHBondContact CD-OE2 3.45Å; K916-E983 WeakPolarHBondContact CE-OE2 3.32Å; K916-E983 VanDerWaalsContact NZ-CD 3.33Å; K916-E983 IonicContact NZ-OE1 2.95Å; K916-E983 PolarHBondContact NZ-OE1 3.32Å; K916-E983 IonicContact NZ-OE2 2.9Å; K916-E983 PolarHBondContact NZ-OE2 3.12Å; M979-E983 PolarHBondContact O-N 3.36Å; A980-E983 PolarHBondContact O-N 3.46Å; E983-K1017 IonicContact OE1-NZ 3.18Å; E983-K1017 PolarHBondContact OE1-NZ 2.99Å
984	L	79.3	Confident	81.9	Confident	47 Å²	47	18.8 Å²	18.8	25%	0.246	8%	0.081	C	C	.	.	H	α-helix	trans	-78	-32	176.2	-61.7	173.3	0	0	0	113.4	V192 L909 Q912 I913 L981 Q982 R986	V192-L984 HydrophobicContact CG1-CB 3.59Å; V192-L984 HydrophobicContact CG1-CD1 4.42Å; L909-L984 HydrophobicContact CD1-CD1 4.36Å; Q912-L984 HydrophobicContact CB-CD1 4.1Å; Q912-L984 HydrophobicContact CB-CD2 4.19Å; I913-L984 HydrophobicContact CB-CD1 4.4Å; I913-L984 HydrophobicContact CG1-CD1 3.47Å; I913-L984 VanDerWaalsContact CG1-CD1 3.47Å; L981-L984 PolarHBondContact O-N 3.27Å; Q982-L984 PolarHBondContact O-N 3.19Å; L984-R986 PolarHBondContact O-N 3.22Å
985	N	76.7	Confident	81.3	Confident	16 Å²	16	18.9 Å²	18.9	9%	0.086	8%	0.081	C	C	.	.			trans	-79.2	116.1	-178.9	180	-15.8	0	0	0	112.9	N163 S191 V192 L981 Q982 C987 R990	N163-N985 PolarHBondContact ND2-ND2 3.28Å; S191-N985 PolarHBondContact O-ND2 2.69Å; V192-N985 HydrophobicContact CG2-CB 4.46Å; L981-N985 PolarHBondContact O-N 2.68Å; L981-N985 VanDerWaalsContact O-N 3.13Å; Q982-N985 PolarHBondContact O-N 3.36Å; N985-C987 PolarHBondContact O-N 3.05Å; N985-C987 VanDerWaalsContact O-N 3.14Å; N985-C987 PolarHBondContact OD1-N 2.88Å; N985-R990 PolarHBondContact O-NH2 2.9Å
986	R	72.2	Confident	80.7	Confident	229 Å²	229	19.2 Å²	19.2	86%	0.864	8%	0.083	S	C	*	.			trans	-83	76.6	175.4	-63.1	-174.3	-178.7	-169.8	0.7	112.7	L984	L984-R986 PolarHBondContact O-N 3.22Å
987	C	80.3	Confident	79.9	Confident	3 Å²	3	22.8 Å²	22.8	2%	0.02	10%	0.1	C	C	.	.			trans	-103.9	151.4	168.5	42.8	0	0	0	0	111	Q166 N985 R990 S1021	Q166-C987 HydrophobicContact CB-CB 4.2Å; Q166-C987 VanDerWaalsContact CD-CB 3.42Å; Q166-C987 HydrophobicContact CG-CB 3.76Å; N985-C987 PolarHBondContact O-N 3.05Å; N985-C987 VanDerWaalsContact O-N 3.14Å; N985-C987 PolarHBondContact OD1-N 2.88Å; C987-R990 VanDerWaalsContact SG-CG 3.55Å; C987-S1021 WeakPolarHBondContact O-CB 3.47Å; C987-S1021 PolarHBondContact O-OG 3.47Å
988	P	85	Confident	78.8	Confident	6 Å²	6	25.8 Å²	25.8	4%	0.039	13%	0.131	C	C	.	.	S	Bend	trans	-76.5	-28.3	-172.3	31.9	-39.4	0	0	0	114.1	E39 L157 Q158 I159 S1021 Q1022	E39-P988 WeakPolarHBondContact O-CB 2.7Å; L157-P988 WeakPolarHBondContact O-CG 3.39Å; Q158-P988 VanDerWaalsContact O-CD 3.26Å; Q158-P988 WeakPolarHBondContact O-CD 3.45Å; I159-P988 HydrophobicContact CG1-CG 3.59Å; P988-S1021 WeakPolarHBondContact O-CB 3.13Å; P988-Q1022 PolarHBondContact O-N 2.92Å
989	F	88.6	Confident	78.5	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.009	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	154.1	169.1	71.3	-92	0	0	0	110.4	I42 I82 L86 I159 Q166 V991 Q1022 F1024	I42-F989 HydrophobicContact CD1-CD1 4.14Å; I42-F989 HydrophobicContact CD1-CD2 4.1Å; I42-F989 HydrophobicContact CD1-CE1 4.05Å; I42-F989 HydrophobicContact CD1-CE2 4.03Å; I42-F989 HydrophobicContact CD1-CG 4.19Å; I42-F989 HydrophobicContact CD1-CZ 4.02Å; I42-F989 HydrophobicContact CG1-CD1 4.06Å; I42-F989 HydrophobicContact CG1-CE1 4.17Å; I42-F989 HydrophobicContact CG1-CG 4.4Å; I82-F989 HydrophobicContact CG2-CE2 3.84Å; I82-F989 HydrophobicContact CG2-CZ 4.03Å; L86-F989 HydrophobicContact CD1-CE1 3.87Å; L86-F989 HydrophobicContact CD1-CZ 3.48Å; L86-F989 VanDerWaalsContact CD1-CZ 3.48Å; I159-F989 HydrophobicContact CD1-CE1 3.98Å; I159-F989 HydrophobicContact CG1-CE1 3.92Å; I159-F989 HydrophobicContact CG2-CE1 3.89Å; I159-F989 HydrophobicContact CG2-CZ 3.95Å; Q166-F989 WeakPolarHBondContact CG-O 3.08Å; Q166-F989 PolarHBondContact NE2-O 3.18Å; F989-V991 HydrophobicContact CD2-CG2 3.78Å; F989-V991 HydrophobicContact CE2-CG2 3.68Å; F989-Q1022 CarbonylContact C-O 3.19Å; F989-Q1022 WeakPolarHBondContact CA-O 3.32Å; F989-Q1022 HydrophobicContact CB-CB 3.87Å; F989-Q1022 HydrophobicContact CB-CG 4.42Å; F989-Q1022 WeakPolarHBondContact CB-O 3.25Å; F989-F1024 HydrophobicContact CB-CE2 4.26Å; F989-F1024 HydrophobicContact CD2-CD2 4.25Å; F989-F1024 HydrophobicContact CD2-CE2 4.24Å; F989-F1024 HydrophobicContact CG-CE2 4.44Å
990	R	87.7	Confident	78.4	Confident	9 Å²	9	29.2 Å²	29.2	3%	0.034	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146	178.5	-64	172.6	-172.1	138.9	2.3	110.6	Q166 Q982 N985 C987 Q1022 Y1023 F1024	Q166-R990 CarbonylContact O-C 3.53Å; Q166-R990 WeakPolarHBondContact O-CA 3.38Å; Q982-R990 PolarHBondContact O-NE 2.98Å; Q982-R990 PolarHBondContact O-NH2 3.09Å; N985-R990 PolarHBondContact O-NH2 2.9Å; C987-R990 VanDerWaalsContact SG-CG 3.55Å; R990-Q1022 PolarHBondContact N-O 3.38Å; R990-Y1023 HydrophobicContact CB-CD2 3.97Å; R990-Y1023 HydrophobicContact CB-CE2 4Å; R990-Y1023 HydrophobicContact CB-CG 4.42Å; R990-Y1023 HydrophobicContact CG-CD2 4.49Å; R990-Y1023 HydrophobicContact CG-CE2 4.45Å; R990-F1024 PolarHBondContact O-N 2.84Å
991	V	86.6	Confident	78	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.1	180	-172.2	0	0	0	0	111	V79 I82 Q166 F167 L168 F989 F1024 I1026	V79-V991 HydrophobicContact CG1-CG1 4.1Å; V79-V991 HydrophobicContact CG2-CG1 4.03Å; I82-V991 HydrophobicContact CD1-CG2 4.49Å; I82-V991 HydrophobicContact CG2-CG2 4.42Å; Q166-V991 PolarHBondContact O-N 2.94Å; F167-V991 HydrophobicContact CD2-CB 3.72Å; F167-V991 HydrophobicContact CD2-CG1 4.3Å; F167-V991 HydrophobicContact CD2-CG2 3.77Å; F167-V991 HydrophobicContact CE2-CB 3.88Å; F167-V991 HydrophobicContact CE2-CG1 3.97Å; F167-V991 HydrophobicContact CE2-CG2 3.87Å; F167-V991 HydrophobicContact CG-CB 4.47Å; F167-V991 HydrophobicContact CZ-CG1 4.47Å; L168-V991 PolarHBondContact N-O 2.75Å; F989-V991 HydrophobicContact CD2-CG2 3.78Å; F989-V991 HydrophobicContact CE2-CG2 3.68Å; V991-F1024 HydrophobicContact CB-CB 4.45Å; V991-F1024 HydrophobicContact CG1-CB 4.25Å; V991-F1024 HydrophobicContact CG2-CB 4.22Å; V991-F1024 HydrophobicContact CG2-CD2 4.12Å; V991-F1024 HydrophobicContact CG2-CG 4.49Å; V991-I1026 HydrophobicContact CG1-CD1 3.89Å
992	V	83.5	Confident	77.7	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	107.5	-170.6	152.6	0	0	0	0	109.2	I995 Y1023 F1024 F1025 I1026	V992-I995 HydrophobicContact CB-CD1 4.08Å; V992-I995 HydrophobicContact CG1-CB 4.48Å; V992-I995 HydrophobicContact CG1-CD1 3.33Å; V992-I995 HydrophobicContact CG1-CG1 3.83Å; V992-I995 HydrophobicContact CG2-CD1 3.89Å; V992-Y1023 HydrophobicContact CB-CE1 4.14Å; V992-Y1023 HydrophobicContact CG2-CE1 3.83Å; V992-F1024 PolarHBondContact N-O 3.45Å; V992-F1025 HydrophobicContact CB-CD2 4.41Å; V992-F1025 HydrophobicContact CG1-CD2 3.45Å; V992-F1025 VanDerWaalsContact CG1-CD2 3.45Å; V992-F1025 HydrophobicContact CG1-CE2 3.79Å; V992-F1025 HydrophobicContact CG1-CG 4.34Å; V992-I1026 WeakPolarHBondContact O-CD1 3.21Å; V992-I1026 PolarHBondContact O-N 3Å
993	D	83.3	Confident	77.6	Confident	7 Å²	7	39 Å²	39	4%	0.037	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	115.4	-174.6	-158.5	17.3	0	0	0	112.9	S76 V79 L168 Q170 I995 I1026	S76-D993 WeakPolarHBondContact CB-OD2 3.39Å; S76-D993 PolarHBondContact OG-OD1 3.38Å; S76-D993 PolarHBondContact OG-OD2 2.99Å; V79-D993 HydrophobicContact CG2-CB 4.4Å; L168-D993 PolarHBondContact O-N 2.89Å; Q170-D993 WeakPolarHBondContact CA-O 3.14Å; D993-I995 VanDerWaalsContact C-N 3.29Å; D993-I995 PolarHBondContact O-N 2.81Å; D993-I995 VanDerWaalsContact O-N 3.13Å; D993-I1026 HydrophobicContact CB-CD1 4.34Å; D993-I1026 VanDerWaalsContact OD1-CB 3.26Å; D993-I1026 WeakPolarHBondContact OD1-CB 3.49Å; D993-I1026 WeakPolarHBondContact OD1-CG2 3.33Å
994	E	76.9	Confident	77.6	Confident	13 Å²	13	37.2 Å²	37.2	6%	0.061	20%	0.201	C	C	.	.	S	Bend	trans	52.1	27.6	173.7	-45.4	-152.7	140.4	0	0	117.2	K75 Q170 N996 Q997 I1026 P1028	K75-E994 WeakPolarHBondContact CE-OE1 2.81Å; K75-E994 IonicContact NZ-OE1 2.59Å; K75-E994 PolarHBondContact NZ-OE1 2.93Å; Q170-E994 HydrophobicContact CG-CB 4.28Å; Q170-E994 PolarHBondContact NE2-OE2 3.08Å; E994-N996 PolarHBondContact O-N 2.81Å; E994-Q997 HydrophobicContact CB-CG 4.43Å; E994-Q997 WeakPolarHBondContact O-CG 3.23Å; E994-Q997 PolarHBondContact O-N 3.44Å; E994-Q997 PolarHBondContact OE2-NE2 2.88Å; E994-I1026 WeakPolarHBondContact CA-O 3.38Å; E994-I1026 PolarHBondContact N-O 3.16Å; E994-P1028 WeakPolarHBondContact OE1-CD 3.42Å
995	I	67.9	Low	77.7	Confident	9 Å²	9	39.3 Å²	39.3	5%	0.046	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-26.8	177.9	-60.1	177.5	0	0	0	112.9	L168 V173 M975 V992 D993 Q997 M999	L168-I995 HydrophobicContact CD2-CD1 3.64Å; L168-I995 HydrophobicContact CD2-CG1 4.22Å; V173-I995 HydrophobicContact CG1-CG2 4.29Å; V173-I995 HydrophobicContact CG2-CG1 3.9Å; M975-I995 HydrophobicContact CB-CG2 4.23Å; M975-I995 HydrophobicContact CE-CD1 3.82Å; M975-I995 HydrophobicContact CE-CG2 4.22Å; M975-I995 HydrophobicContact CG-CG2 3.96Å; M975-I995 HydrophobicContact SD-CD1 3.68Å; M975-I995 HydrophobicContact SD-CG2 3.78Å; V992-I995 HydrophobicContact CB-CD1 4.08Å; V992-I995 HydrophobicContact CG1-CB 4.48Å; V992-I995 HydrophobicContact CG1-CD1 3.33Å; V992-I995 HydrophobicContact CG1-CG1 3.83Å; V992-I995 HydrophobicContact CG2-CD1 3.89Å; D993-I995 VanDerWaalsContact C-N 3.29Å; D993-I995 PolarHBondContact O-N 2.81Å; D993-I995 VanDerWaalsContact O-N 3.13Å; I995-Q997 PolarHBondContact O-N 2.78Å; I995-M999 HydrophobicContact CG2-CE 4.17Å; I995-M999 WeakPolarHBondContact O-CE 3.36Å
996	N	66	Low	77.8	Confident	9 Å²	9	42.1 Å²	42.1	5%	0.048	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	21.5	-178	68.2	-46.3	0	0	0	115.2	E994 E1004 T1027 K1029	E994-N996 PolarHBondContact O-N 2.81Å; N996-E1004 HydrophobicContact CB-CG 3.78Å; N996-E1004 WeakPolarHBondContact CB-OE1 2.84Å; N996-E1004 PolarHBondContact ND2-OE1 2.91Å; N996-T1027 PolarHBondContact ND2-OG1 2.94Å; N996-T1027 PolarHBondContact OD1-OG1 2.89Å; N996-K1029 PolarHBondContact O-NZ 2.8Å
997	Q	67.1	Low	78.2	Confident	75 Å²	75	31.6 Å²	31.6	35%	0.35	18%	0.176	S	C	.	.	S	Bend	trans	-97.7	142.2	174.6	-67.6	-179.4	1.1	0	0	111.2	E994 I995 M999	E994-Q997 HydrophobicContact CB-CG 4.43Å; E994-Q997 WeakPolarHBondContact O-CG 3.23Å; E994-Q997 PolarHBondContact O-N 3.44Å; E994-Q997 PolarHBondContact OE2-NE2 2.88Å; I995-Q997 PolarHBondContact O-N 2.78Å; Q997-M999 VanDerWaalsContact C-N 3.26Å; Q997-M999 PolarHBondContact O-N 3.5Å
998	G	65.5	Low	78.2	Confident	63 Å²	63	31.7 Å²	31.7	65%	0.649	18%	0.176	S	C	*	.	S	Bend	trans	78.4	-3.2	-178.1	0	0	0	0	0	116.1
999	M	75.3	Confident	78	Confident	15 Å²	15	33.1 Å²	33.1	7%	0.074	18%	0.184	C	C	.	.	S	Bend	trans	-91.6	153.4	169.2	-74.6	178.8	-97.6	0	0	112.2	V972 I995 Q997 E1004 V1007	V972-M999 HydrophobicContact CG2-CG 3.9Å; V972-M999 HydrophobicContact CG2-SD 3.61Å; I995-M999 HydrophobicContact CG2-CE 4.17Å; I995-M999 WeakPolarHBondContact O-CE 3.36Å; Q997-M999 VanDerWaalsContact C-N 3.26Å; Q997-M999 PolarHBondContact O-N 3.5Å; M999-E1004 HydrophobicContact CB-CB 4.34Å; M999-V1007 HydrophobicContact SD-CG2 4.03Å
1000	D	76.2	Confident	77.6	Confident	60 Å²	60	33.5 Å²	33.5	32%	0.321	19%	0.186	S	C	.	.			trans	-76	158.5	168.7	67.5	-81.3	0	0	0	111.7	V1002 N1003 E1004	D1000-V1002 PolarHBondContact O-N 3.17Å; D1000-V1002 VanDerWaalsContact O-N 3.11Å; D1000-V1002 WeakPolarHBondContact OD2-CA 3.34Å; D1000-V1002 WeakPolarHBondContact OD2-CB 3.25Å; D1000-V1002 PolarHBondContact OD2-N 3.19Å; D1000-N1003 PolarHBondContact O-N 2.8Å; D1000-N1003 WeakPolarHBondContact OD1-CB 3.46Å; D1000-N1003 PolarHBondContact OD1-ND2 3.34Å; D1000-N1003 PolarHBondContact OD2-N 2.95Å; D1000-E1004 WeakPolarHBondContact O-CB 3.2Å; D1000-E1004 PolarHBondContact O-N 3.41Å
1001	P	77.3	Confident	77.3	Confident	93 Å²	93	33.1 Å²	33.1	60%	0.604	18%	0.184	S	C	*	.	H	α-helix	trans	-63.2	-19.2	-174.9	-24.9	35.5	0	0	0	116	R1005	P1001-R1005 PolarHBondContact O-N 3.07Å
1002	V	78.3	Confident	77	Confident	93 Å²	93	33.9 Å²	33.9	56%	0.564	19%	0.189	S	C	*	.	H	α-helix	trans	-80.8	-50.2	-179.9	-178.6	0	0	0	0	109.6	D1000 R1005 R1006	D1000-V1002 PolarHBondContact O-N 3.17Å; D1000-V1002 VanDerWaalsContact O-N 3.11Å; D1000-V1002 WeakPolarHBondContact OD2-CA 3.34Å; D1000-V1002 WeakPolarHBondContact OD2-CB 3.25Å; D1000-V1002 PolarHBondContact OD2-N 3.19Å; V1002-R1005 PolarHBondContact O-N 2.71Å; V1002-R1006 WeakPolarHBondContact O-CG 3.38Å; V1002-R1006 PolarHBondContact O-N 3.32Å; V1002-R1006 VanDerWaalsContact O-N 3.15Å
1003	N	77.6	Confident	76.8	Confident	25 Å²	25	41.6 Å²	41.6	13%	0.134	22%	0.218	C	C	.	.	H	α-helix	trans	-71.5	-32.4	176.3	-67.3	-50.9	0	0	0	112.4	V972 D1000 R1005 R1006 V1007	V972-N1003 HydrophobicContact CG2-CB 3.64Å; D1000-N1003 PolarHBondContact O-N 2.8Å; D1000-N1003 WeakPolarHBondContact OD1-CB 3.46Å; D1000-N1003 PolarHBondContact OD1-ND2 3.34Å; D1000-N1003 PolarHBondContact OD2-N 2.95Å; N1003-R1005 VanDerWaalsContact C-N 3.28Å; N1003-R1005 PolarHBondContact O-N 3.43Å; N1003-R1006 PolarHBondContact O-N 3.35Å; N1003-V1007 WeakPolarHBondContact O-CG2 3.26Å; N1003-V1007 PolarHBondContact O-N 3.32Å
1004	E	78.8	Confident	76.6	Confident	7 Å²	7	41.6 Å²	41.6	3%	0.033	22%	0.218	C	C	.	.	H	α-helix	trans	-57.7	-42	172.9	-163.1	-171.7	160.4	0	0	111.7	N996 M999 D1000 F1008 K1029 L1031	N996-E1004 HydrophobicContact CB-CG 3.78Å; N996-E1004 WeakPolarHBondContact CB-OE1 2.84Å; N996-E1004 PolarHBondContact ND2-OE1 2.91Å; M999-E1004 HydrophobicContact CB-CB 4.34Å; D1000-E1004 WeakPolarHBondContact O-CB 3.2Å; D1000-E1004 PolarHBondContact O-N 3.41Å; E1004-F1008 WeakPolarHBondContact O-CB 3.39Å; E1004-F1008 PolarHBondContact O-N 2.85Å; E1004-F1008 VanDerWaalsContact O-N 3.08Å; E1004-K1029 VanDerWaalsContact CD-NZ 3.28Å; E1004-K1029 WeakPolarHBondContact OE1-CD 3.42Å; E1004-K1029 IonicContact OE1-NZ 3.02Å; E1004-K1029 PolarHBondContact OE1-NZ 3.4Å; E1004-K1029 IonicContact OE2-NZ 2.63Å; E1004-K1029 PolarHBondContact OE2-NZ 3.27Å; E1004-L1031 HydrophobicContact CG-CD1 4.13Å
1005	R	80.8	Confident	76.7	Confident	90 Å²	90	41 Å²	41	34%	0.34	22%	0.215	S	C	.	.	H	α-helix	trans	-65.9	-46.7	174.6	-167.4	-169.8	-140.1	90.7	6.3	112	P1001 V1002 N1003 V1007 F1008 D1009 Q1032 N1033 L1034	P1001-R1005 PolarHBondContact O-N 3.07Å; V1002-R1005 PolarHBondContact O-N 2.71Å; N1003-R1005 VanDerWaalsContact C-N 3.28Å; N1003-R1005 PolarHBondContact O-N 3.43Å; R1005-V1007 PolarHBondContact O-N 3.46Å; R1005-F1008 WeakPolarHBondContact O-CB 3.45Å; R1005-F1008 PolarHBondContact O-N 3.14Å; R1005-F1008 VanDerWaalsContact O-N 3.15Å; R1005-D1009 PolarHBondContact O-N 3.13Å; R1005-Q1032 PolarHBondContact NH2-O 3.43Å; R1005-N1033 PolarHBondContact NH2-O 3.23Å; R1005-L1034 HydrophobicContact CG-CD2 4.46Å
1006	R	79	Confident	77.1	Confident	76 Å²	76	41.8 Å²	41.8	29%	0.287	22%	0.222	S	C	.	.	H	α-helix	trans	-58.9	-45.9	179.5	-71.3	167	166.4	-147.9	-12.7	111.8	M924 V1002 N1003 D1009 I1010	M924-R1006 HydrophobicContact CG-CB 4.37Å; M924-R1006 PolarHBondContact O-NH1 3.26Å; M924-R1006 PolarHBondContact O-NH2 3.43Å; M924-R1006 HydrophobicContact SD-CB 4.25Å; V1002-R1006 WeakPolarHBondContact O-CG 3.38Å; V1002-R1006 PolarHBondContact O-N 3.32Å; V1002-R1006 VanDerWaalsContact O-N 3.15Å; N1003-R1006 PolarHBondContact O-N 3.35Å; R1006-D1009 PolarHBondContact O-N 2.55Å; R1006-I1010 WeakPolarHBondContact O-CD1 3.04Å; R1006-I1010 VanDerWaalsContact O-CG1 3.27Å; R1006-I1010 WeakPolarHBondContact O-CG1 3.2Å; R1006-I1010 PolarHBondContact O-N 2.74Å; R1006-I1010 VanDerWaalsContact O-N 3.1Å
1007	V	80.3	Confident	77.5	Confident	7 Å²	7	44.9 Å²	44.9	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-42.8	175.4	169.7	0	0	0	0	110.8	V972 M975 M999 N1003 R1005 I1010 V1011	V972-V1007 HydrophobicContact CG1-CG2 4.36Å; M975-V1007 HydrophobicContact CE-CG1 3.96Å; M975-V1007 HydrophobicContact CG-CG1 3.63Å; M999-V1007 HydrophobicContact SD-CG2 4.03Å; N1003-V1007 WeakPolarHBondContact O-CG2 3.26Å; N1003-V1007 PolarHBondContact O-N 3.32Å; R1005-V1007 PolarHBondContact O-N 3.46Å; V1007-I1010 PolarHBondContact O-N 3.14Å; V1007-V1011 WeakPolarHBondContact O-CG2 3.45Å; V1007-V1011 PolarHBondContact O-N 3.39Å
1008	F	80.4	Confident	77.3	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-45.8	175.6	-179.8	-88.2	0	0	0	112.6	M66 E1004 R1005 I1010 V1011 V1012 F1025 L1034 M1040	M66-F1008 HydrophobicContact CE-CE2 3.77Å; M66-F1008 HydrophobicContact CE-CZ 4.32Å; M66-F1008 HydrophobicContact SD-CE2 4.25Å; M66-F1008 HydrophobicContact SD-CZ 4.44Å; E1004-F1008 WeakPolarHBondContact O-CB 3.39Å; E1004-F1008 PolarHBondContact O-N 2.85Å; E1004-F1008 VanDerWaalsContact O-N 3.08Å; R1005-F1008 WeakPolarHBondContact O-CB 3.45Å; R1005-F1008 PolarHBondContact O-N 3.14Å; R1005-F1008 VanDerWaalsContact O-N 3.15Å; F1008-I1010 VanDerWaalsContact C-N 3.28Å; F1008-I1010 PolarHBondContact O-N 3.46Å; F1008-V1011 WeakPolarHBondContact O-CB 3.39Å; F1008-V1011 PolarHBondContact O-N 2.81Å; F1008-V1011 VanDerWaalsContact O-N 3.08Å; F1008-V1012 HydrophobicContact CD1-CG2 3.94Å; F1008-V1012 HydrophobicContact CE1-CG2 3.33Å; F1008-V1012 HydrophobicContact CE2-CG2 4.22Å; F1008-V1012 HydrophobicContact CZ-CG2 3.49Å; F1008-V1012 VanDerWaalsContact CZ-CG2 3.49Å; F1008-V1012 PolarHBondContact O-N 2.71Å; F1008-F1025 HydrophobicContact CD2-CE1 4.1Å; F1008-F1025 HydrophobicContact CD2-CZ 4.32Å; F1008-F1025 HydrophobicContact CE2-CE1 4.36Å; F1008-L1034 HydrophobicContact CD1-CD1 4.02Å; F1008-L1034 HydrophobicContact CD1-CD2 3.44Å; F1008-L1034 VanDerWaalsContact CD1-CD2 3.44Å; F1008-L1034 HydrophobicContact CD1-CG 4.22Å; F1008-L1034 HydrophobicContact CD2-CD1 4.46Å; F1008-L1034 HydrophobicContact CE1-CB 4.12Å; F1008-L1034 HydrophobicContact CE1-CD1 3.58Å; F1008-L1034 HydrophobicContact CE1-CD2 3.71Å; F1008-L1034 HydrophobicContact CE1-CG 3.99Å; F1008-L1034 HydrophobicContact CE2-CD1 4.07Å; F1008-L1034 HydrophobicContact CG-CD1 4.44Å; F1008-L1034 HydrophobicContact CG-CD2 4.09Å; F1008-L1034 HydrophobicContact CZ-CD1 3.61Å; F1008-M1040 HydrophobicContact CE2-CE 4.46Å; F1008-M1040 HydrophobicContact CZ-CE 3.87Å
1009	D	80.8	Confident	77.1	Confident	36 Å²	36	54 Å²	54	19%	0.193	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-35.8	179.1	-66.4	-22.5	0	0	0	111.5	R1005 R1006 R1013	R1005-D1009 PolarHBondContact O-N 3.13Å; R1006-D1009 PolarHBondContact O-N 2.55Å; D1009-R1013 WeakPolarHBondContact O-CB 3.37Å; D1009-R1013 WeakPolarHBondContact O-CD 3.34Å; D1009-R1013 WeakPolarHBondContact O-CG 3.34Å; D1009-R1013 PolarHBondContact O-N 2.9Å; D1009-R1013 VanDerWaalsContact O-N 3.1Å
1010	I	80.8	Confident	76.8	Confident	10 Å²	10	54.3 Å²	54.3	5%	0.051	27%	0.272	C	S	.	.	H	α-helix	trans	-69.9	-38.6	173.7	-60.3	163.5	0	0	0	111	F920 M924 L976 M979 R1006 V1007 F1008 R1013 T1014	F920-I1010 HydrophobicContact CD1-CG2 3.59Å; F920-I1010 HydrophobicContact CE1-CG2 3.86Å; F920-I1010 HydrophobicContact CG-CG2 4.16Å; M924-I1010 HydrophobicContact CG-CD1 4.06Å; L976-I1010 HydrophobicContact CD2-CD1 3.88Å; M979-I1010 HydrophobicContact CE-CB 4.39Å; M979-I1010 HydrophobicContact CE-CG2 3.72Å; M979-I1010 HydrophobicContact SD-CG2 4.21Å; R1006-I1010 WeakPolarHBondContact O-CD1 3.04Å; R1006-I1010 VanDerWaalsContact O-CG1 3.27Å; R1006-I1010 WeakPolarHBondContact O-CG1 3.2Å; R1006-I1010 PolarHBondContact O-N 2.74Å; R1006-I1010 VanDerWaalsContact O-N 3.1Å; V1007-I1010 PolarHBondContact O-N 3.14Å; F1008-I1010 VanDerWaalsContact C-N 3.28Å; F1008-I1010 PolarHBondContact O-N 3.46Å; I1010-R1013 PolarHBondContact O-N 3.39Å; I1010-T1014 VanDerWaalsContact O-CB 3.29Å; I1010-T1014 WeakPolarHBondContact O-CB 3.45Å; I1010-T1014 PolarHBondContact O-N 3.12Å; I1010-T1014 PolarHBondContact O-OG1 3.35Å
1011	V	80.6	Confident	77	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-46.9	174.8	169.4	0	0	0	0	111	M975 M979 V1007 F1008 T1014 A1015 Y1023 F1025	M975-V1011 HydrophobicContact CE-CG2 3.72Å; M979-V1011 HydrophobicContact CE-CB 4.24Å; M979-V1011 HydrophobicContact CE-CG2 3.56Å; M979-V1011 HydrophobicContact SD-CG2 3.77Å; V1007-V1011 WeakPolarHBondContact O-CG2 3.45Å; V1007-V1011 PolarHBondContact O-N 3.39Å; F1008-V1011 WeakPolarHBondContact O-CB 3.39Å; F1008-V1011 PolarHBondContact O-N 2.81Å; F1008-V1011 VanDerWaalsContact O-N 3.08Å; V1011-T1014 PolarHBondContact O-N 3.47Å; V1011-A1015 VanDerWaalsContact O-CB 3.29Å; V1011-A1015 WeakPolarHBondContact O-CB 3.4Å; V1011-A1015 PolarHBondContact O-N 3.11Å; V1011-Y1023 HydrophobicContact CG1-CE1 4.14Å; V1011-F1025 HydrophobicContact CG1-CD2 3.91Å; V1011-F1025 HydrophobicContact CG1-CE2 4.34Å; V1011-F1025 HydrophobicContact CG2-CE2 4.4Å
1012	V	80.8	Confident	77.6	Confident	16 Å²	16	47.7 Å²	47.7	10%	0.097	23%	0.233	C	C	.	.	H	α-helix	trans	-60.2	-49.5	176.9	176.1	0	0	0	0	110.9	L64 F1008 T1014 A1015 C1016 A1037	L64-V1012 HydrophobicContact CD2-CB 4.4Å; L64-V1012 HydrophobicContact CD2-CG2 3.83Å; F1008-V1012 HydrophobicContact CD1-CG2 3.94Å; F1008-V1012 HydrophobicContact CE1-CG2 3.33Å; F1008-V1012 HydrophobicContact CE2-CG2 4.22Å; F1008-V1012 HydrophobicContact CZ-CG2 3.49Å; F1008-V1012 VanDerWaalsContact CZ-CG2 3.49Å; F1008-V1012 PolarHBondContact O-N 2.71Å; V1012-T1014 PolarHBondContact O-N 3.21Å; V1012-T1014 VanDerWaalsContact O-N 3.15Å; V1012-A1015 PolarHBondContact O-N 2.56Å; V1012-C1016 WeakPolarHBondContact O-CB 3.24Å; V1012-C1016 PolarHBondContact O-N 3.23Å; V1012-A1037 HydrophobicContact CG1-CB 4.26Å
1013	R	79.9	Confident	78	Confident	163 Å²	163	43.4 Å²	43.4	62%	0.615	21%	0.206	S	C	*	.	H	α-helix	trans	-61.6	-21.9	177.9	-71.1	171	-174.4	-165.2	3.2	114.2	D1009 I1010 K1017	D1009-R1013 WeakPolarHBondContact O-CB 3.37Å; D1009-R1013 WeakPolarHBondContact O-CD 3.34Å; D1009-R1013 WeakPolarHBondContact O-CG 3.34Å; D1009-R1013 PolarHBondContact O-N 2.9Å; D1009-R1013 VanDerWaalsContact O-N 3.1Å; I1010-R1013 PolarHBondContact O-N 3.39Å; R1013-K1017 WeakPolarHBondContact O-CE 3.11Å; R1013-K1017 WeakPolarHBondContact O-CG 3.37Å
1014	T	78.4	Confident	78.6	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.043	20%	0.2	C	C	.	.	H	α-helix	trans	-98.1	-24	-179.5	-54.3	0	0	0	0	112.8	I1010 V1011 V1012 T1020	I1010-T1014 VanDerWaalsContact O-CB 3.29Å; I1010-T1014 WeakPolarHBondContact O-CB 3.45Å; I1010-T1014 PolarHBondContact O-N 3.12Å; I1010-T1014 PolarHBondContact O-OG1 3.35Å; V1011-T1014 PolarHBondContact O-N 3.47Å; V1012-T1014 PolarHBondContact O-N 3.21Å; V1012-T1014 VanDerWaalsContact O-N 3.15Å; T1014-T1020 WeakPolarHBondContact O-CG2 3.32Å; T1014-T1020 PolarHBondContact O-OG1 3.13Å
1015	A	78.6	Confident	79	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-94.7	-22.7	179.1	0	0	0	0	0	114.1	L64 V1011 V1012 T1020 Y1023	L64-A1015 HydrophobicContact CB-CB 3.97Å; L64-A1015 HydrophobicContact CD1-CB 3.99Å; L64-A1015 HydrophobicContact CD2-CB 4.38Å; L64-A1015 HydrophobicContact CG-CB 4.33Å; V1011-A1015 VanDerWaalsContact O-CB 3.29Å; V1011-A1015 WeakPolarHBondContact O-CB 3.4Å; V1011-A1015 PolarHBondContact O-N 3.11Å; V1012-A1015 PolarHBondContact O-N 2.56Å; A1015-T1020 PolarHBondContact O-OG1 3.4Å; A1015-Y1023 HydrophobicContact CB-CD1 4.47Å; A1015-Y1023 HydrophobicContact CB-CD2 3.96Å; A1015-Y1023 HydrophobicContact CB-CG 3.81Å
1016	C	76.9	Confident	79.3	Confident	26 Å²	26	38.1 Å²	38.1	18%	0.176	18%	0.184	C	C	.	.	S	Bend	trans	-102.6	30.7	179.9	-58.7	0	0	0	0	113.4	V1012 A1037 E1039	V1012-C1016 WeakPolarHBondContact O-CB 3.24Å; V1012-C1016 PolarHBondContact O-N 3.23Å; C1016-A1037 HydrophobicContact CB-CB 4.32Å; C1016-E1039 HydrophobicContact CB-CB 4.43Å
1017	K	75.3	Confident	79.5	Confident	74 Å²	74	34.5 Å²	34.5	32%	0.322	17%	0.171	S	C	.	.	S	Bend	trans	-83.5	148.4	168	-55.5	-179.5	-179	178.2	0	108.8	E983 R1013 T1019 T1020	E983-K1017 IonicContact OE1-NZ 3.18Å; E983-K1017 PolarHBondContact OE1-NZ 2.99Å; R1013-K1017 WeakPolarHBondContact O-CE 3.11Å; R1013-K1017 WeakPolarHBondContact O-CG 3.37Å; K1017-T1019 PolarHBondContact O-N 2.98Å; K1017-T1020 HydrophobicContact CB-CG2 3.82Å; K1017-T1020 HydrophobicContact CD-CG2 4.19Å; K1017-T1020 HydrophobicContact CG-CG2 4.31Å; K1017-T1020 PolarHBondContact N-OG1 2.86Å; K1017-T1020 VanDerWaalsContact N-OG1 3.14Å; K1017-T1020 PolarHBondContact O-N 3.46Å; K1017-T1020 VanDerWaalsContact O-N 3.13Å; K1017-T1020 PolarHBondContact O-OG1 2.82Å
1018	E	61.3	Low	79.3	Confident	200 Å²	200	35.6 Å²	35.6	94%	0.935	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.6	-177	-62.9	-177.9	152.3	0	0	114.2
1019	T	62	Low	79	Confident	129 Å²	129	39 Å²	39	79%	0.791	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.5	6.8	-176.3	57.6	0	0	0	0	114.4	K1017	K1017-T1019 PolarHBondContact O-N 2.98Å
1020	T	69.7	Low	78.3	Confident	21 Å²	21	42.3 Å²	42.3	13%	0.129	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-96.5	137.7	-173.4	46.7	0	0	0	0	114.7	T1014 A1015 K1017	T1014-T1020 WeakPolarHBondContact O-CG2 3.32Å; T1014-T1020 PolarHBondContact O-OG1 3.13Å; A1015-T1020 PolarHBondContact O-OG1 3.4Å; K1017-T1020 HydrophobicContact CB-CG2 3.82Å; K1017-T1020 HydrophobicContact CD-CG2 4.19Å; K1017-T1020 HydrophobicContact CG-CG2 4.31Å; K1017-T1020 PolarHBondContact N-OG1 2.86Å; K1017-T1020 VanDerWaalsContact N-OG1 3.14Å; K1017-T1020 PolarHBondContact O-N 3.46Å; K1017-T1020 VanDerWaalsContact O-N 3.13Å; K1017-T1020 PolarHBondContact O-OG1 2.82Å
1021	S	79.4	Confident	77.8	Confident	14 Å²	14	43.1 Å²	43.1	10%	0.098	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-50.1	149.4	177.1	-44.7	0	0	0	0	114.7	C987 P988 Y1023	C987-S1021 WeakPolarHBondContact O-CB 3.47Å; C987-S1021 PolarHBondContact O-OG 3.47Å; P988-S1021 WeakPolarHBondContact O-CB 3.13Å; S1021-Y1023 PolarHBondContact O-N 2.82Å
1022	Q	89.1	Confident	77.2	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	130.7	177.1	-175.2	-178.1	59.2	0	0	111.7	I42 G61 P62 P988 F989 R990 F1024	I42-Q1022 PolarHBondContact O-NE2 3.43Å; G61-Q1022 PolarHBondContact O-NE2 2.89Å; P62-Q1022 WeakPolarHBondContact O-CA 3.42Å; P62-Q1022 WeakPolarHBondContact O-CB 3.4Å; P62-Q1022 WeakPolarHBondContact O-CG 3.26Å; P988-Q1022 PolarHBondContact O-N 2.92Å; F989-Q1022 CarbonylContact C-O 3.19Å; F989-Q1022 WeakPolarHBondContact CA-O 3.32Å; F989-Q1022 HydrophobicContact CB-CB 3.87Å; F989-Q1022 HydrophobicContact CB-CG 4.42Å; F989-Q1022 WeakPolarHBondContact CB-O 3.25Å; R990-Q1022 PolarHBondContact N-O 3.38Å; Q1022-F1024 HydrophobicContact CG-CE2 3.83Å; Q1022-F1024 HydrophobicContact CG-CZ 4.16Å; Q1022-F1024 VanDerWaalsContact OE1-CE2 3.32Å
1023	Y	88.6	Confident	76.6	Confident	2 Å²	2	57 Å²	57	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.9	-169	-150.1	-74.5	0	0	0	110.7	N63 L64 N65 Q982 R990 V992 V1011 A1015 S1021	N63-Y1023 PolarHBondContact O-N 2.73Å; L64-Y1023 HydrophobicContact CD1-CD1 4.03Å; L64-Y1023 HydrophobicContact CD1-CG 4.37Å; N65-Y1023 WeakPolarHBondContact CA-O 3.41Å; N65-Y1023 WeakPolarHBondContact CB-O 2.83Å; N65-Y1023 PolarHBondContact N-O 2.71Å; Q982-Y1023 PolarHBondContact OE1-OH 3.38Å; R990-Y1023 HydrophobicContact CB-CD2 3.97Å; R990-Y1023 HydrophobicContact CB-CE2 4Å; R990-Y1023 HydrophobicContact CB-CG 4.42Å; R990-Y1023 HydrophobicContact CG-CD2 4.49Å; R990-Y1023 HydrophobicContact CG-CE2 4.45Å; V992-Y1023 HydrophobicContact CB-CE1 4.14Å; V992-Y1023 HydrophobicContact CG2-CE1 3.83Å; V1011-Y1023 HydrophobicContact CG1-CE1 4.14Å; A1015-Y1023 HydrophobicContact CB-CD1 4.47Å; A1015-Y1023 HydrophobicContact CB-CD2 3.96Å; A1015-Y1023 HydrophobicContact CB-CG 3.81Å; S1021-Y1023 PolarHBondContact O-N 2.82Å
1024	F	89.6	Confident	76.2	Confident	1 Å²	1	49.9 Å²	49.9	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	108.3	176.5	-66.6	-89.1	0	0	0	110.1	I42 P60 N65 I67 F989 R990 V991 V992 Q1022 I1026	I42-F1024 HydrophobicContact CB-CE2 4.49Å; I42-F1024 HydrophobicContact CB-CZ 4.17Å; I42-F1024 HydrophobicContact CD1-CE2 3.98Å; I42-F1024 HydrophobicContact CD1-CZ 4.18Å; P60-F1024 HydrophobicContact CB-CE1 3.72Å; P60-F1024 HydrophobicContact CB-CZ 3.72Å; P60-F1024 HydrophobicContact CG-CE1 3.67Å; P60-F1024 HydrophobicContact CG-CZ 3.71Å; N65-F1024 HydrophobicContact CB-CD1 3.73Å; N65-F1024 HydrophobicContact CB-CE1 3.96Å; N65-F1024 HydrophobicContact CB-CG 4.38Å; N65-F1024 WeakPolarHBondContact O-CA 3.48Å; I67-F1024 HydrophobicContact CD1-CD1 4.2Å; F989-F1024 HydrophobicContact CB-CE2 4.26Å; F989-F1024 HydrophobicContact CD2-CD2 4.25Å; F989-F1024 HydrophobicContact CD2-CE2 4.24Å; F989-F1024 HydrophobicContact CG-CE2 4.44Å; R990-F1024 PolarHBondContact O-N 2.84Å; V991-F1024 HydrophobicContact CB-CB 4.45Å; V991-F1024 HydrophobicContact CG1-CB 4.25Å; V991-F1024 HydrophobicContact CG2-CB 4.22Å; V991-F1024 HydrophobicContact CG2-CD2 4.12Å; V991-F1024 HydrophobicContact CG2-CG 4.49Å; V992-F1024 PolarHBondContact N-O 3.45Å; Q1022-F1024 HydrophobicContact CG-CE2 3.83Å; Q1022-F1024 HydrophobicContact CG-CZ 4.16Å; Q1022-F1024 VanDerWaalsContact OE1-CE2 3.32Å; F1024-I1026 HydrophobicContact CB-CD1 4.34Å
1025	F	87.3	Confident	75.9	Confident	10 Å²	10	56.1 Å²	56.1	4%	0.044	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	109.7	178.3	-173.9	-89.5	0	0	0	109.9	L64 N65 M66 I67 V992 F1008 V1011 T1027	L64-F1025 HydrophobicContact CD1-CB 4Å; N65-F1025 PolarHBondContact O-N 2.97Å; M66-F1025 CarbonylContact C-O 3.49Å; M66-F1025 WeakPolarHBondContact CA-O 3.27Å; M66-F1025 HydrophobicContact CG-CD1 4.3Å; I67-F1025 PolarHBondContact N-O 2.59Å; V992-F1025 HydrophobicContact CB-CD2 4.41Å; V992-F1025 HydrophobicContact CG1-CD2 3.45Å; V992-F1025 VanDerWaalsContact CG1-CD2 3.45Å; V992-F1025 HydrophobicContact CG1-CE2 3.79Å; V992-F1025 HydrophobicContact CG1-CG 4.34Å; F1008-F1025 HydrophobicContact CD2-CE1 4.1Å; F1008-F1025 HydrophobicContact CD2-CZ 4.32Å; F1008-F1025 HydrophobicContact CE2-CE1 4.36Å; V1011-F1025 HydrophobicContact CG1-CD2 3.91Å; V1011-F1025 HydrophobicContact CG1-CE2 4.34Å; V1011-F1025 HydrophobicContact CG2-CE2 4.4Å; F1025-T1027 HydrophobicContact CD1-CG2 4.08Å; F1025-T1027 HydrophobicContact CE1-CG2 3.83Å
1026	I	87	Confident	75.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.2	-178.1	-52	86.1	0	0	0	109.5	I67 K75 V79 V991 V992 D993 E994 F1024	I67-I1026 HydrophobicContact CB-CB 4.36Å; I67-I1026 HydrophobicContact CB-CG1 3.95Å; I67-I1026 HydrophobicContact CB-CG2 4.24Å; I67-I1026 HydrophobicContact CD1-CG1 3.97Å; I67-I1026 HydrophobicContact CG1-CG1 4.38Å; I67-I1026 HydrophobicContact CG2-CG1 4.45Å; I67-I1026 HydrophobicContact CG2-CG2 4.2Å; I67-I1026 WeakPolarHBondContact O-CA 3.24Å; K75-I1026 HydrophobicContact CB-CG2 3.69Å; K75-I1026 HydrophobicContact CD-CG2 3.76Å; K75-I1026 HydrophobicContact CG-CG2 4.35Å; V79-I1026 HydrophobicContact CG2-CD1 3.43Å; V79-I1026 VanDerWaalsContact CG2-CD1 3.43Å; V79-I1026 HydrophobicContact CG2-CG1 3.74Å; V991-I1026 HydrophobicContact CG1-CD1 3.89Å; V992-I1026 WeakPolarHBondContact O-CD1 3.21Å; V992-I1026 PolarHBondContact O-N 3Å; D993-I1026 HydrophobicContact CB-CD1 4.34Å; D993-I1026 VanDerWaalsContact OD1-CB 3.26Å; D993-I1026 WeakPolarHBondContact OD1-CB 3.49Å; D993-I1026 WeakPolarHBondContact OD1-CG2 3.33Å; E994-I1026 WeakPolarHBondContact CA-O 3.38Å; E994-I1026 PolarHBondContact N-O 3.16Å; F1024-I1026 HydrophobicContact CB-CD1 4.34Å
1027	T	82.4	Confident	76.1	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.2	178.6	167.7	0	0	0	0	112.5	M66 I67 V68 K75 N996 F1025 K1029	M66-T1027 HydrophobicContact CE-CG2 3.49Å; M66-T1027 VanDerWaalsContact CE-CG2 3.49Å; M66-T1027 HydrophobicContact CG-CG2 4.41Å; I67-T1027 PolarHBondContact O-N 2.75Å; V68-T1027 HydrophobicContact CG2-CG2 4.14Å; K75-T1027 WeakPolarHBondContact CD-O 3.42Å; K75-T1027 WeakPolarHBondContact CE-O 3.24Å; N996-T1027 PolarHBondContact ND2-OG1 2.94Å; N996-T1027 PolarHBondContact OD1-OG1 2.89Å; F1025-T1027 HydrophobicContact CD1-CG2 4.08Å; F1025-T1027 HydrophobicContact CE1-CG2 3.83Å; T1027-K1029 WeakPolarHBondContact CG2-O 3.27Å; T1027-K1029 PolarHBondContact OG1-N 3.01Å; T1027-K1029 PolarHBondContact OG1-O 3.07Å
1028	P	75.9	Confident	76.3	Confident	30 Å²	30	67.4 Å²	67.4	20%	0.195	34%	0.338	C	S	.	.	S	Bend	trans	-82	-20.3	169.5	33.8	-34	0	0	0	113.5	G69 N71 E994	G69-P1028 WeakPolarHBondContact O-CA 3.47Å; N71-P1028 WeakPolarHBondContact OD1-CB 3.4Å; E994-P1028 WeakPolarHBondContact OE1-CD 3.42Å
1029	K	73.9	Confident	77.4	Confident	77 Å²	77	62 Å²	62	34%	0.335	31%	0.313	S	S	.	.			trans	-97.1	131	179.9	-63.8	165.5	176.2	172.5	0	109.8	N996 E1004 T1027	N996-K1029 PolarHBondContact O-NZ 2.8Å; E1004-K1029 VanDerWaalsContact CD-NZ 3.28Å; E1004-K1029 WeakPolarHBondContact OE1-CD 3.42Å; E1004-K1029 IonicContact OE1-NZ 3.02Å; E1004-K1029 PolarHBondContact OE1-NZ 3.4Å; E1004-K1029 IonicContact OE2-NZ 2.63Å; E1004-K1029 PolarHBondContact OE2-NZ 3.27Å; T1027-K1029 WeakPolarHBondContact CG2-O 3.27Å; T1027-K1029 PolarHBondContact OG1-N 3.01Å; T1027-K1029 PolarHBondContact OG1-O 3.07Å
1030	L	67.5	Low	78.5	Confident	105 Å²	105	56.9 Å²	56.9	55%	0.55	28%	0.28	S	S	.	.			trans	-94.8	105.3	160.1	-170.1	83.7	0	0	0	107.5	V68	V68-L1030 HydrophobicContact CG1-CB 4.2Å; V68-L1030 HydrophobicContact CG1-CD1 4.01Å; V68-L1030 HydrophobicContact CG2-CD1 4.41Å
1031	L	69.6	Low	79.4	Confident	28 Å²	28	57.9 Å²	57.9	15%	0.147	29%	0.287	C	S	.	.			trans	-68.8	137.5	176	-67.9	170.6	0	0	0	110	E1004 L1034	E1004-L1031 HydrophobicContact CG-CD1 4.13Å; L1031-L1034 HydrophobicContact CB-CD1 3.84Å; L1031-L1034 HydrophobicContact CB-CD2 3.74Å; L1031-L1034 HydrophobicContact CB-CG 3.7Å; L1031-L1034 HydrophobicContact CD1-CD2 4.03Å
1032	Q	67.6	Low	79.7	Confident	160 Å²	160	60.7 Å²	60.7	75%	0.748	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	141.6	-179.3	-63.6	-178.3	3.5	0	0	111	R1005 L1034	R1005-Q1032 PolarHBondContact NH2-O 3.43Å; Q1032-L1034 VanDerWaalsContact C-N 3.34Å; Q1032-L1034 PolarHBondContact O-N 3.14Å
1033	N	69.1	Low	79.6	Confident	149 Å²	149	62.1 Å²	62.1	80%	0.797	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	36.4	178.8	-52.1	-17.2	0	0	0	114.4	R1005	R1005-N1033 PolarHBondContact NH2-O 3.23Å
1034	L	71.5	Confident	79.5	Confident	12 Å²	12	67 Å²	67	6%	0.063	34%	0.341	C	S	.	.			trans	-63.4	152.5	168.2	-71.2	177.3	0	0	0	111.5	M66 R1005 F1008 L1031 Q1032 Y1036	M66-L1034 HydrophobicContact CE-CD1 4.31Å; R1005-L1034 HydrophobicContact CG-CD2 4.46Å; F1008-L1034 HydrophobicContact CD1-CD1 4.02Å; F1008-L1034 HydrophobicContact CD1-CD2 3.44Å; F1008-L1034 VanDerWaalsContact CD1-CD2 3.44Å; F1008-L1034 HydrophobicContact CD1-CG 4.22Å; F1008-L1034 HydrophobicContact CD2-CD1 4.46Å; F1008-L1034 HydrophobicContact CE1-CB 4.12Å; F1008-L1034 HydrophobicContact CE1-CD1 3.58Å; F1008-L1034 HydrophobicContact CE1-CD2 3.71Å; F1008-L1034 HydrophobicContact CE1-CG 3.99Å; F1008-L1034 HydrophobicContact CE2-CD1 4.07Å; F1008-L1034 HydrophobicContact CG-CD1 4.44Å; F1008-L1034 HydrophobicContact CG-CD2 4.09Å; F1008-L1034 HydrophobicContact CZ-CD1 3.61Å; L1031-L1034 HydrophobicContact CB-CD1 3.84Å; L1031-L1034 HydrophobicContact CB-CD2 3.74Å; L1031-L1034 HydrophobicContact CB-CG 3.7Å; L1031-L1034 HydrophobicContact CD1-CD2 4.03Å; Q1032-L1034 VanDerWaalsContact C-N 3.34Å; Q1032-L1034 PolarHBondContact O-N 3.14Å; L1034-Y1036 HydrophobicContact CB-CD2 4.43Å; L1034-Y1036 HydrophobicContact CB-CE1 4.49Å; L1034-Y1036 HydrophobicContact CB-CE2 3.86Å; L1034-Y1036 WeakPolarHBondContact O-CD2 3.18Å; L1034-Y1036 WeakPolarHBondContact O-CE2 3.44Å
1035	Q	71.3	Confident	79.3	Confident	139 Å²	139	67.8 Å²	67.8	65%	0.65	35%	0.346	S	S	*	.			trans	-79.4	132.3	161.9	-66.5	-174.7	-17.4	0	0	108.5
1036	Y	78.8	Confident	78.9	Confident	110 Å²	110	73.8 Å²	73.8	43%	0.431	37%	0.373	S	S	.	.			trans	-116.5	136	177	-63.4	-87.2	0	0	0	108.3	L1034 M1040 I1042	L1034-Y1036 HydrophobicContact CB-CD2 4.43Å; L1034-Y1036 HydrophobicContact CB-CE1 4.49Å; L1034-Y1036 HydrophobicContact CB-CE2 3.86Å; L1034-Y1036 WeakPolarHBondContact O-CD2 3.18Å; L1034-Y1036 WeakPolarHBondContact O-CE2 3.44Å; Y1036-M1040 HydrophobicContact CD1-CE 3.86Å; Y1036-M1040 HydrophobicContact CD1-SD 3.72Å; Y1036-M1040 HydrophobicContact CE1-CE 4.06Å; Y1036-I1042 HydrophobicContact CD1-CD1 3.79Å; Y1036-I1042 HydrophobicContact CE1-CD1 3.6Å
1037	A	80.6	Confident	78.3	Confident	32 Å²	32	77.1 Å²	77.1	26%	0.264	39%	0.391	S	S	.	.			trans	-97.6	160.4	175.3	0	0	0	0	0	110.3	V1012 C1016 E1039 M1040	V1012-A1037 HydrophobicContact CG1-CB 4.26Å; C1016-A1037 HydrophobicContact CB-CB 4.32Å; A1037-E1039 VanDerWaalsContact C-N 3.29Å; A1037-E1039 WeakPolarHBondContact CB-OE2 3.48Å; A1037-E1039 PolarHBondContact O-N 2.98Å; A1037-M1040 VanDerWaalsContact O-CB 3.26Å; A1037-M1040 WeakPolarHBondContact O-CB 3.25Å; A1037-M1040 PolarHBondContact O-N 3.34Å
1038	E	80	Confident	77.6	Confident	194 Å²	194	78.3 Å²	78.3	91%	0.907	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-24.9	-175.6	-62.4	-161.9	162.5	0	0	112.5	M1040	E1038-M1040 PolarHBondContact O-N 2.95Å
1039	E	83.7	Confident	77	Confident	88 Å²	88	83 Å²	83	41%	0.411	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-2.9	177.8	-46.9	73.5	-161.1	0	0	112.6	N63 C1016 A1037	N63-E1039 HydrophobicContact CB-CB 3.96Å; C1016-E1039 HydrophobicContact CB-CB 4.43Å; A1037-E1039 VanDerWaalsContact C-N 3.29Å; A1037-E1039 WeakPolarHBondContact CB-OE2 3.48Å; A1037-E1039 PolarHBondContact O-N 2.98Å
1040	M	86.3	Confident	76.8	Confident	20 Å²	20	87.8 Å²	87.8	10%	0.099	46%	0.458	C	S	.	.			trans	-93.9	111.5	-170.5	-172	179.3	168.7	0	0	112.8	L64 M66 F1008 Y1036 A1037 E1038 I1042	L64-M1040 HydrophobicContact CB-CG 4.33Å; L64-M1040 HydrophobicContact CD2-CE 4.28Å; L64-M1040 HydrophobicContact CD2-CG 3.97Å; L64-M1040 HydrophobicContact CD2-SD 4.03Å; L64-M1040 HydrophobicContact CG-CG 4.1Å; L64-M1040 CarbonylContact O-C 3.39Å; L64-M1040 WeakPolarHBondContact O-CA 3.24Å; M66-M1040 HydrophobicContact CB-CE 3.62Å; M66-M1040 HydrophobicContact CG-CE 3.93Å; M66-M1040 HydrophobicContact SD-CE 3.28Å; M66-M1040 WeakPolarHBondContact SD-CE 3.14Å; F1008-M1040 HydrophobicContact CE2-CE 4.46Å; F1008-M1040 HydrophobicContact CZ-CE 3.87Å; Y1036-M1040 HydrophobicContact CD1-CE 3.86Å; Y1036-M1040 HydrophobicContact CD1-SD 3.72Å; Y1036-M1040 HydrophobicContact CE1-CE 4.06Å; A1037-M1040 VanDerWaalsContact O-CB 3.26Å; A1037-M1040 WeakPolarHBondContact O-CB 3.25Å; A1037-M1040 PolarHBondContact O-N 3.34Å; E1038-M1040 PolarHBondContact O-N 2.95Å; M1040-I1042 HydrophobicContact CE-CG1 4.35Å
1041	T	88.1	Confident	76.8	Confident	42 Å²	42	88.2 Å²	88.2	26%	0.258	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	119	176.1	-61.9	0	0	0	0	111.1	L64 N65 M66 L1043	L64-T1041 PolarHBondContact O-N 3.36Å; N65-T1041 CarbonylContact C-O 3.49Å; N65-T1041 WeakPolarHBondContact CA-O 3.38Å; M66-T1041 PolarHBondContact N-O 3.43Å; T1041-L1043 HydrophobicContact CG2-CD2 3.99Å; T1041-L1043 HydrophobicContact CG2-CG 4.18Å
1042	I	86.9	Confident	76.7	Confident	74 Å²	74	91.1 Å²	91.1	38%	0.379	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.6	177.2	-54	176.1	0	0	0	110.4	V68 Y1036 M1040	V68-I1042 HydrophobicContact CG2-CG2 4.37Å; Y1036-I1042 HydrophobicContact CD1-CD1 3.79Å; Y1036-I1042 HydrophobicContact CE1-CD1 3.6Å; M1040-I1042 HydrophobicContact CE-CG1 4.35Å
1043	L	87.1	Confident	76.6	Confident	31 Å²	31	86.4 Å²	86.4	16%	0.162	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	93.4	-177.1	-62.9	175.6	0	0	0	110.2	V58 N65 M66 I67 V68 T1041 V1045	V58-L1043 HydrophobicContact CG1-CD1 3.89Å; V58-L1043 HydrophobicContact CG1-CD2 4.42Å; N65-L1043 HydrophobicContact CB-CD1 4.41Å; M66-L1043 PolarHBondContact O-N 3.12Å; I67-L1043 WeakPolarHBondContact CA-O 3.41Å; I67-L1043 HydrophobicContact CG1-CB 4.07Å; I67-L1043 HydrophobicContact CG1-CD1 4Å; V68-L1043 PolarHBondContact N-O 3.47Å; T1041-L1043 HydrophobicContact CG2-CD2 3.99Å; T1041-L1043 HydrophobicContact CG2-CG 4.18Å; L1043-V1045 PolarHBondContact O-N 3.38Å
1044	C	86	Confident	76.3	Confident	105 Å²	105	82.6 Å²	82.6	71%	0.709	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	106.8	-178.6	-63.2	0	0	0	0	112	V68 H1046	V68-C1044 CarbonylContact O-C 3.58Å; V68-C1044 WeakPolarHBondContact O-CA 3.47Å; C1044-H1046 PolarHBondContact O-N 2.67Å
1045	V	84.6	Confident	76.1	Confident	17 Å²	17	89 Å²	89	10%	0.103	47%	0.474	C	S	.	.			trans	-87.2	101.1	175.7	179.9	0	0	0	0	109.7	Y53 I67 V68 K75 I78 L1043	Y53-V1045 VanDerWaalsContact OH-CG1 3.31Å; Y53-V1045 WeakPolarHBondContact OH-CG1 3.46Å; I67-V1045 HydrophobicContact CG2-CG2 3.67Å; V68-V1045 PolarHBondContact O-N 3.33Å; K75-V1045 HydrophobicContact CG-CB 4.24Å; I78-V1045 HydrophobicContact CD1-CG2 3.84Å; L1043-V1045 PolarHBondContact O-N 3.38Å
1046	H	78.8	Confident	76	Confident	135 Å²	135	88.4 Å²	88.4	63%	0.625	47%	0.471	S	S	*	.			trans	-105	154.8	168.9	-165.3	64.7	0	0	0	110.3	C1044 M1051	C1044-H1046 PolarHBondContact O-N 2.67Å; H1046-M1051 WeakPolarHBondContact O-CE 3.44Å; H1046-M1051 VanDerWaalsContact O-SD 3.34Å
1047	N	74	Confident	75.6	Confident	70 Å²	70	89.9 Å²	89.9	37%	0.374	48%	0.476	S	S	.	.			trans	-156.6	137.6	178.2	-167.6	-19.3	0	0	0	108.7	T73	T73-N1047 VanDerWaalsContact O-CB 3.27Å; T73-N1047 WeakPolarHBondContact O-CB 3.28Å; T73-N1047 PolarHBondContact O-ND2 3.17Å; T73-N1047 VanDerWaalsContact O-ND2 3.08Å
1048	G	69.4	Low	75.3	Confident	27 Å²	27	92.4 Å²	92.4	28%	0.278	49%	0.485	S	S	.	.			trans	-179.3	163.4	-178.3	0	0	0	0	0	113.2	H1050 M1051	G1048-H1050 PolarHBondContact O-N 3.5Å; G1048-M1051 WeakPolarHBondContact O-CB 3.19Å; G1048-M1051 PolarHBondContact O-N 3.03Å
1049	P	63.1	Low	74.9	Confident	127 Å²	127	90 Å²	90	83%	0.825	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-5.7	-170	28.9	-36.9	0	0	0	115.4
1050	H	68.4	Low	74.7	Confident	179 Å²	179	89.9 Å²	89.9	83%	0.829	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	25.9	179.2	-53.5	-51.1	0	0	0	112	G1048	G1048-H1050 PolarHBondContact O-N 3.5Å
1051	M	67.6	Low	74.4	Confident	114 Å²	114	90 Å²	90	56%	0.562	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-79.9	128	179.8	-171.9	156	171	0	0	110.8	H1046 G1048	H1046-M1051 WeakPolarHBondContact O-CE 3.44Å; H1046-M1051 VanDerWaalsContact O-SD 3.34Å; G1048-M1051 WeakPolarHBondContact O-CB 3.19Å; G1048-M1051 PolarHBondContact O-N 3.03Å
1052	L	67.1	Low	74	Confident	89 Å²	89	92.4 Å²	92.4	47%	0.466	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-67.2	148.3	178.1	-70.2	174.6	0	0	0	111.5	E1056 W1057	L1052-E1056 HydrophobicContact CB-CB 4.4Å; L1052-W1057 HydrophobicContact CD1-CE3 4.34Å
1053	P	65.8	Low	73.7	Confident	60 Å²	60	92.7 Å²	92.7	39%	0.39	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-54.5	148.9	167.1	-25.3	35.5	0	0	0	111.9	N1055 E1056	P1053-N1055 PolarHBondContact O-N 3.46Å; P1053-E1056 HydrophobicContact CB-CG 4.48Å; P1053-E1056 PolarHBondContact O-N 3.05Å
1054	P	63.5	Low	73.5	Confident	69 Å²	69	98.4 Å²	98.4	45%	0.448	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-53.6	-31.9	178.6	-27.8	35.5	0	0	0	113.8	Y55 E1056	Y55-P1054 HydrophobicContact CD1-CG 4.32Å; P1054-E1056 PolarHBondContact O-N 3.32Å
1055	N	66.6	Low	73.4	Confident	146 Å²	146	101.7 Å²	101.7	78%	0.781	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-72.6	-14	-178.6	-55.7	7.4	0	0	0	113.6	P1053	P1053-N1055 PolarHBondContact O-N 3.46Å
1056	E	69.8	Low	73.2	Confident	127 Å²	127	108 Å²	108	59%	0.593	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-108.4	-3.3	-177	-66.7	173.4	-151.7	0	0	112.6	L1052 P1053 P1054 D1058	L1052-E1056 HydrophobicContact CB-CB 4.4Å; P1053-E1056 HydrophobicContact CB-CG 4.48Å; P1053-E1056 PolarHBondContact O-N 3.05Å; P1054-E1056 PolarHBondContact O-N 3.32Å; E1056-D1058 PolarHBondContact O-N 3.18Å
1057	W	70.4	Confident	73.3	Confident	141 Å²	141	107 Å²	107	53%	0.534	53%	0.527	S	S	.	.			trans	-95.9	93.1	-175.1	178.8	-101	0	0	0	113.2	L1052 K1059 F1062	L1052-W1057 HydrophobicContact CD1-CE3 4.34Å; W1057-K1059 PolarHBondContact O-N 2.98Å; W1057-F1062 HydrophobicContact CH2-CB 4.2Å; W1057-F1062 HydrophobicContact CH2-CD1 4.41Å; W1057-F1062 AromaticContact CH2-CD2 3.53Å; W1057-F1062 HydrophobicContact CH2-CD2 3.53Å; W1057-F1062 AromaticContact CH2-CE2 3.94Å; W1057-F1062 HydrophobicContact CH2-CE2 3.94Å; W1057-F1062 AromaticContact CH2-CG 3.78Å; W1057-F1062 HydrophobicContact CH2-CG 3.78Å; W1057-F1062 HydrophobicContact CZ2-CB 4.15Å; W1057-F1062 HydrophobicContact CZ2-CD1 4.26Å; W1057-F1062 HydrophobicContact CZ2-CD2 4.15Å; W1057-F1062 AromaticContact CZ2-CG 3.92Å; W1057-F1062 HydrophobicContact CZ2-CG 3.92Å; W1057-F1062 HydrophobicContact CZ3-CD2 4.32Å
1058	D	74.9	Confident	73.6	Confident	85 Å²	85	108.8 Å²	108.8	46%	0.455	53%	0.533	S	S	.	.			trans	-82.8	98.6	170.1	-178.3	12.5	0	0	0	112.3	E1056 T1060 A1061 F1062	E1056-D1058 PolarHBondContact O-N 3.18Å; D1058-T1060 PolarHBondContact O-N 3.41Å; D1058-T1060 VanDerWaalsContact OD1-CA 3.31Å; D1058-T1060 WeakPolarHBondContact OD1-CA 3.43Å; D1058-T1060 WeakPolarHBondContact OD1-CB 3.34Å; D1058-T1060 PolarHBondContact OD1-N 3.31Å; D1058-T1060 PolarHBondContact OD1-OG1 2.87Å; D1058-A1061 HydrophobicContact CB-CB 4.04Å; D1058-A1061 VanDerWaalsContact CG-N 3.27Å; D1058-A1061 PolarHBondContact O-N 2.58Å; D1058-A1061 PolarHBondContact OD1-N 2.87Å; D1058-A1061 WeakPolarHBondContact OD2-CB 3.26Å; D1058-A1061 PolarHBondContact OD2-N 3.12Å; D1058-F1062 PolarHBondContact O-N 3.1Å
1059	K	71.1	Confident	74.1	Confident	144 Å²	144	115.9 Å²	115.9	63%	0.626	55%	0.551	S	S	*	*	H	α-helix	trans	-52.9	-35.3	170.3	-178.1	-179.2	177.6	-177	0	112.4	W1057 F1062 I1063	W1057-K1059 PolarHBondContact O-N 2.98Å; K1059-F1062 PolarHBondContact O-N 3.43Å; K1059-I1063 HydrophobicContact CG-CD1 3.88Å; K1059-I1063 WeakPolarHBondContact O-CB 3.47Å; K1059-I1063 VanDerWaalsContact O-CG1 3.29Å; K1059-I1063 WeakPolarHBondContact O-CG1 3.29Å; K1059-I1063 PolarHBondContact O-N 3.28Å
1060	T	79.1	Confident	74.8	Confident	86 Å²	86	118.1 Å²	118.1	53%	0.528	55%	0.548	S	S	.	.	H	α-helix	trans	-71.2	-49.5	-177.3	-35.7	0	0	0	0	111	D1058 F1062 I1063 R1064	D1058-T1060 PolarHBondContact O-N 3.41Å; D1058-T1060 VanDerWaalsContact OD1-CA 3.31Å; D1058-T1060 WeakPolarHBondContact OD1-CA 3.43Å; D1058-T1060 WeakPolarHBondContact OD1-CB 3.34Å; D1058-T1060 PolarHBondContact OD1-N 3.31Å; D1058-T1060 PolarHBondContact OD1-OG1 2.87Å; T1060-F1062 VanDerWaalsContact C-N 3.33Å; T1060-F1062 PolarHBondContact O-N 3.49Å; T1060-I1063 PolarHBondContact O-N 3.3Å; T1060-R1064 VanDerWaalsContact O-CB 3.28Å; T1060-R1064 WeakPolarHBondContact O-CB 3.12Å; T1060-R1064 PolarHBondContact O-N 2.98Å
1061	A	79.5	Confident	74.9	Confident	21 Å²	21	113.6 Å²	113.6	17%	0.174	54%	0.542	C	S	.	.	H	α-helix	trans	-61.8	-39	171.8	0	0	0	0	0	112.1	D1058 R1064 R1065	D1058-A1061 HydrophobicContact CB-CB 4.04Å; D1058-A1061 VanDerWaalsContact CG-N 3.27Å; D1058-A1061 PolarHBondContact O-N 2.58Å; D1058-A1061 PolarHBondContact OD1-N 2.87Å; D1058-A1061 WeakPolarHBondContact OD2-CB 3.26Å; D1058-A1061 PolarHBondContact OD2-N 3.12Å; A1061-R1064 PolarHBondContact O-N 3.05Å; A1061-R1065 VanDerWaalsContact O-CB 3.32Å; A1061-R1065 WeakPolarHBondContact O-CB 3.4Å; A1061-R1065 WeakPolarHBondContact O-CG 3.2Å; A1061-R1065 PolarHBondContact O-N 3.14Å
1062	F	79.8	Confident	75	Confident	93 Å²	93	118.8 Å²	118.8	41%	0.408	56%	0.555	S	S	.	*	H	α-helix	trans	-61.2	-50.8	176.3	178.6	-95.3	0	0	0	112	W1057 D1058 K1059 T1060 R1064 R1065 R1066	W1057-F1062 HydrophobicContact CH2-CB 4.2Å; W1057-F1062 HydrophobicContact CH2-CD1 4.41Å; W1057-F1062 AromaticContact CH2-CD2 3.53Å; W1057-F1062 HydrophobicContact CH2-CD2 3.53Å; W1057-F1062 AromaticContact CH2-CE2 3.94Å; W1057-F1062 HydrophobicContact CH2-CE2 3.94Å; W1057-F1062 AromaticContact CH2-CG 3.78Å; W1057-F1062 HydrophobicContact CH2-CG 3.78Å; W1057-F1062 HydrophobicContact CZ2-CB 4.15Å; W1057-F1062 HydrophobicContact CZ2-CD1 4.26Å; W1057-F1062 HydrophobicContact CZ2-CD2 4.15Å; W1057-F1062 AromaticContact CZ2-CG 3.92Å; W1057-F1062 HydrophobicContact CZ2-CG 3.92Å; W1057-F1062 HydrophobicContact CZ3-CD2 4.32Å; D1058-F1062 PolarHBondContact O-N 3.1Å; K1059-F1062 PolarHBondContact O-N 3.43Å; T1060-F1062 VanDerWaalsContact C-N 3.33Å; T1060-F1062 PolarHBondContact O-N 3.49Å; F1062-R1064 PolarHBondContact O-N 3.32Å; F1062-R1065 PolarHBondContact O-N 3.28Å; F1062-R1066 HydrophobicContact CD1-CG 4.5Å; F1062-R1066 HydrophobicContact CE1-CG 3.98Å; F1062-R1066 HydrophobicContact CE2-CG 4.27Å; F1062-R1066 HydrophobicContact CZ-CG 3.86Å; F1062-R1066 WeakPolarHBondContact O-CB 3.32Å; F1062-R1066 PolarHBondContact O-N 3.23Å
1063	I	80.9	Confident	74.5	Confident	80 Å²	80	120.9 Å²	120.9	41%	0.41	59%	0.586	S	S	.	*	H	α-helix	trans	-60.7	-46.3	177.6	-70.1	169.1	0	0	0	110.3	K1059 T1060 R1065 R1066 L1067	K1059-I1063 HydrophobicContact CG-CD1 3.88Å; K1059-I1063 WeakPolarHBondContact O-CB 3.47Å; K1059-I1063 VanDerWaalsContact O-CG1 3.29Å; K1059-I1063 WeakPolarHBondContact O-CG1 3.29Å; K1059-I1063 PolarHBondContact O-N 3.28Å; T1060-I1063 PolarHBondContact O-N 3.3Å; I1063-R1065 PolarHBondContact O-N 2.93Å; I1063-R1066 PolarHBondContact O-N 2.74Å; I1063-R1066 VanDerWaalsContact O-N 3.14Å; I1063-L1067 HydrophobicContact CG2-CD1 3.79Å; I1063-L1067 HydrophobicContact CG2-CG 4.23Å; I1063-L1067 WeakPolarHBondContact O-CG 3.1Å; I1063-L1067 PolarHBondContact O-N 3.29Å
1064	R	84	Confident	74.9	Confident	151 Å²	151	124 Å²	124	57%	0.57	60%	0.595	S	S	*	*	H	α-helix	trans	-57.2	-48.6	177.4	-167	-175.4	-58.1	166.7	4.2	111.8	T1060 A1061 F1062 R1066 L1067 Q1068	T1060-R1064 VanDerWaalsContact O-CB 3.28Å; T1060-R1064 WeakPolarHBondContact O-CB 3.12Å; T1060-R1064 PolarHBondContact O-N 2.98Å; A1061-R1064 PolarHBondContact O-N 3.05Å; F1062-R1064 PolarHBondContact O-N 3.32Å; R1064-R1066 VanDerWaalsContact C-N 3.34Å; R1064-R1066 PolarHBondContact O-N 3.02Å; R1064-L1067 PolarHBondContact O-N 2.9Å; R1064-Q1068 WeakPolarHBondContact O-CB 3.42Å; R1064-Q1068 VanDerWaalsContact O-CG 3.24Å; R1064-Q1068 WeakPolarHBondContact O-CG 3.01Å; R1064-Q1068 PolarHBondContact O-N 3.14Å
1065	R	83	Confident	75.5	Confident	175 Å²	175	126.8 Å²	126.8	66%	0.66	60%	0.603	S	S	*	*	H	α-helix	trans	-64	-34.9	176.4	-71.5	170.8	-175.4	178.8	3.8	112.4	A1061 F1062 I1063 R1069	A1061-R1065 VanDerWaalsContact O-CB 3.32Å; A1061-R1065 WeakPolarHBondContact O-CB 3.4Å; A1061-R1065 WeakPolarHBondContact O-CG 3.2Å; A1061-R1065 PolarHBondContact O-N 3.14Å; F1062-R1065 PolarHBondContact O-N 3.28Å; I1063-R1065 PolarHBondContact O-N 2.93Å; R1065-R1069 PolarHBondContact O-N 3.26Å
1066	R	80.8	Confident	76	Confident	150 Å²	150	125.8 Å²	125.8	57%	0.566	59%	0.593	S	S	*	*	H	α-helix	trans	-73.7	-41.9	177.6	-91.5	-67.5	-170.6	179.9	3.5	112.8	F1062 I1063 R1064 R1069 K1070	F1062-R1066 HydrophobicContact CD1-CG 4.5Å; F1062-R1066 HydrophobicContact CE1-CG 3.98Å; F1062-R1066 HydrophobicContact CE2-CG 4.27Å; F1062-R1066 HydrophobicContact CZ-CG 3.86Å; F1062-R1066 WeakPolarHBondContact O-CB 3.32Å; F1062-R1066 PolarHBondContact O-N 3.23Å; I1063-R1066 PolarHBondContact O-N 2.74Å; I1063-R1066 VanDerWaalsContact O-N 3.14Å; R1064-R1066 VanDerWaalsContact C-N 3.34Å; R1064-R1066 PolarHBondContact O-N 3.02Å; R1066-R1069 PolarHBondContact O-N 3.04Å; R1066-K1070 WeakPolarHBondContact O-CB 3.47Å; R1066-K1070 PolarHBondContact O-N 2.98Å
1067	L	81.4	Confident	76.4	Confident	112 Å²	112	125.7 Å²	125.7	59%	0.586	59%	0.593	S	S	*	*	H	α-helix	trans	-62.2	-44.8	172.1	-69.4	172.4	0	0	0	110.7	I1063 R1064 R1069 K1070 A1071	I1063-L1067 HydrophobicContact CG2-CD1 3.79Å; I1063-L1067 HydrophobicContact CG2-CG 4.23Å; I1063-L1067 WeakPolarHBondContact O-CG 3.1Å; I1063-L1067 PolarHBondContact O-N 3.29Å; R1064-L1067 PolarHBondContact O-N 2.9Å; L1067-R1069 VanDerWaalsContact C-N 3.31Å; L1067-R1069 PolarHBondContact O-N 2.68Å; L1067-K1070 CarbonylContact O-C 3.28Å; L1067-K1070 PolarHBondContact O-N 3.35Å; L1067-K1070 VanDerWaalsContact O-N 3.12Å; L1067-A1071 WeakPolarHBondContact O-CB 3.28Å; L1067-A1071 PolarHBondContact O-N 2.68Å
1068	Q	80.1	Confident	76.8	Confident	109 Å²	109	124.8 Å²	124.8	51%	0.509	60%	0.597	S	S	.	*	H	α-helix	trans	-61.1	-34.7	173.7	-74.3	172.3	-20.8	0	0	113.2	R1064 R1072	R1064-Q1068 WeakPolarHBondContact O-CB 3.42Å; R1064-Q1068 VanDerWaalsContact O-CG 3.24Å; R1064-Q1068 WeakPolarHBondContact O-CG 3.01Å; R1064-Q1068 PolarHBondContact O-N 3.14Å; Q1068-R1072 WeakPolarHBondContact O-CD 3.42Å; Q1068-R1072 VanDerWaalsContact O-CG 3.26Å; Q1068-R1072 WeakPolarHBondContact O-CG 3.46Å; Q1068-R1072 PolarHBondContact O-N 2.91Å
1069	R	79.8	Confident	76.9	Confident	175 Å²	175	127.4 Å²	127.4	66%	0.66	61%	0.607	S	S	*	*	H	α-helix	trans	-69.9	-39.8	171.2	-90.9	-176.4	165.6	174.4	-4.6	112.6	R1065 R1066 L1067 A1071 R1072 A1073	R1065-R1069 PolarHBondContact O-N 3.26Å; R1066-R1069 PolarHBondContact O-N 3.04Å; L1067-R1069 VanDerWaalsContact C-N 3.31Å; L1067-R1069 PolarHBondContact O-N 2.68Å; R1069-A1071 PolarHBondContact O-N 2.73Å; R1069-R1072 PolarHBondContact O-N 2.77Å; R1069-A1073 PolarHBondContact O-N 3.07Å
1070	K	76.8	Confident	77.3	Confident	175 Å²	175	126.2 Å²	126.2	76%	0.761	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	7.2	177.8	-152.3	-160.3	173.7	-169.8	0	113.9	R1066 L1067	R1066-K1070 WeakPolarHBondContact O-CB 3.47Å; R1066-K1070 PolarHBondContact O-N 2.98Å; L1067-K1070 CarbonylContact O-C 3.28Å; L1067-K1070 PolarHBondContact O-N 3.35Å; L1067-K1070 VanDerWaalsContact O-N 3.12Å
1071	A	71.8	Confident	77.2	Confident	84 Å²	84	129.3 Å²	129.3	69%	0.694	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	7.4	169	0	0	0	0	0	111.4	L1067 R1069	L1067-A1071 WeakPolarHBondContact O-CB 3.28Å; L1067-A1071 PolarHBondContact O-N 2.68Å; R1069-A1071 PolarHBondContact O-N 2.73Å
1072	R	69	Low	77	Confident	222 Å²	222	138.3 Å²	138.3	84%	0.838	65%	0.648	S	S	*	*			trans	-122.6	1.6	174.4	-74	178.1	176.8	-161.3	-0.2	112.2	Q1068 R1069	Q1068-R1072 WeakPolarHBondContact O-CD 3.42Å; Q1068-R1072 VanDerWaalsContact O-CG 3.26Å; Q1068-R1072 WeakPolarHBondContact O-CG 3.46Å; Q1068-R1072 PolarHBondContact O-N 2.91Å; R1069-R1072 PolarHBondContact O-N 2.77Å
1073	A	56.1	Low	76.7	Confident	134 Å²	134	142.5 Å²	142.5	100%	1.107	67%	0.669	S	S	*	*			trans	-150.1	0	178.1	0	0	0	0	0	107.1	R1069	R1069-A1073 PolarHBondContact O-N 3.07Å

Retrieved 1,073 of 1,073 residues in 323.2 ms (Link to these results)

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