A0A087YJN3_POEFO Loading...

FERM domain containing 4A

AlphaFold DB , UniProt , Accession A0A087YJN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,061 aa.

						>A0A087YJN3_POEFO|A0A087YJN3
MVVQGAVTPGRTRRLMLKLPVGTLRRNSGERMTEGRRCQVHLLDDRKLELLVQPKLMSKDLLDLVASHFNLKEKEYFGIAYTDETGHFSWLQLDRRVLEHEFPKKSGPIVLYFCVRFYIESISYLKDNATIELFFLNAKSIIYKELIEVDSEVVFELASYILQEAKGDFSSDDATRSDLKKLPALPTQALKEHPSLAYCEDRVIEHFKKLSGQSRGQAIVNYMSIVESLPTYGVHYYAVKDKQGIPWWLGLSYKGIFQYDYQDKVKPRKVFQWRQLENLYFREKKFSVEVHDPRSRASVTRRTFGHSGIAVHTWYACPALIKSIWAMAISQHQFYLDRKQSKSKIHAARSLSEIAIDLTETGTLKTSKLANMGSKGKIISGSSGSLLSSGSQESDSSQTAKKDMLAALRARQEALEETLRQRLEELKSICIREAELTGKLPKEYPLDPGEEPPTVRRKIGTAFKLDEQKILPKGEEEELERLEREFAIQSQITEAARRLASDPHVSSKKLKKQRKTSYLNALKKLQEIENSINEYRVRSGKKPTQRASLIIEEANICSEDSSLSDALVLDDDDPQVTGTPTFSPVASPHKGLPPRPPSHSRPPPPQSLDGLRHMHYTRSDYDKSPIKPKMWSESSLDEPYEKVKKRSSHSSHRRFPSSGSAEAGGSNSLQSSPIRSTPHWNSQSSMPSTPDLRTRTPHYVHSTRSVDISPTRLHSLSQHFRNRSSSLESQGKLLASDPDAHPHTLGSPDFFLGPGRGSNGSDPLDDCSSCTSQSSSEHYCPSGGPPGSNPNYSTLGEDSPSKARQRQRQRHRSAGQLGSSNSGSMPNLAAKNGSVGGSGGGGIGGGHHGVYLHSQSQPSSQYRIKEYPLYVEGSSNGVVVRSLESDQEGHYSVKAQFKTSSSYTAGGLYKEAWGGEEGGEGSGRLTPSRSQIVRTPSLGREGGGGGGRAAVSEELRCWYQRSSGSLKERSHSHSGSTSSDTGSQQGTLGHGRGSRVGSLAKGSPAASPHSQRSLTPSSEHPATPTPPCSPQHIINWKSGGTADSSPTEDVCQSPPQPSSDA
					

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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	33.6	Very low	33.5	Very low	232 Å²	232	140.9 Å²	140.9	100%	1.143	84%	0.841	S	S	*	*				0	113.7	0	-65.5	161.2	85.5	0	0	105.9
2	V	33.7	Very low	33	Very low	137 Å²	137	141.1 Å²	141.1	83%	0.83	84%	0.844	S	S	*	*				76.9	129.8	71.3	169.5	0	0	0	0	111.8
3	V	35	Very low	32.6	Very low	120 Å²	120	148.7 Å²	148.7	73%	0.727	85%	0.849	S	S	*	*			cis	-159.8	143.5	-21.6	142.5	0	0	0	0	108.7
4	Q	36.2	Very low	32.4	Very low	192 Å²	192	155.2 Å²	155.2	90%	0.897	85%	0.853	S	S	*	*			trans	4.6	154	145.8	-149.8	177	38.2	0	0	122.7
5	G	35.2	Very low	32	Very low	68 Å²	68	156 Å²	156	70%	0.701	86%	0.855	S	S	*	*			trans	138.8	84.4	130.3	0	0	0	0	0	123.2
6	A	31	Very low	31.5	Very low	104 Å²	104	156.4 Å²	156.4	86%	0.86	85%	0.851	S	S	*	*			trans	39.2	165.9	135.4	0	0	0	0	0	125.2
7	V	29.3	Very low	31.1	Very low	130 Å²	130	154.6 Å²	154.6	79%	0.788	84%	0.84	S	S	*	*			trans	-144.8	165	-173.6	-171.7	0	0	0	0	112.1
8	T	35.5	Very low	30.7	Very low	129 Å²	129	156 Å²	156	79%	0.791	84%	0.837	S	S	*	*			trans	84.4	162.7	170.2	79.5	0	0	0	0	116.3
9	P	45.2	Very low	30.4	Very low	128 Å²	128	155.7 Å²	155.7	83%	0.831	83%	0.834	S	S	*	*			cis	-133.3	-178.8	3.9	42.9	-26.2	0	0	0	116.6
10	G	25.4	Very low	30.7	Very low	79 Å²	79	153.6 Å²	153.6	81%	0.814	83%	0.829	S	S	*	*			trans	-161.7	149.3	170.7	0	0	0	0	0	113.1
11	R	29	Very low	30.6	Very low	231 Å²	231	153.2 Å²	153.2	87%	0.872	83%	0.832	S	S	*	*			trans	-157.3	142.5	-166.9	-172.6	-168.1	-164.6	-170.7	10.4	113.2
12	T	27	Very low	30.2	Very low	143 Å²	143	145.8 Å²	145.8	88%	0.877	81%	0.814	S	S	*	*			trans	-143.7	161.7	170.8	11.4	0	0	0	0	113.2
13	R	28.2	Very low	30.3	Very low	240 Å²	240	145.7 Å²	145.7	91%	0.906	81%	0.814	S	S	*	*			trans	-126.9	172	177	-100.9	-173.8	171.8	-171.7	-1.9	111.1
14	R	29.8	Very low	30	Very low	240 Å²	240	148 Å²	148	91%	0.906	82%	0.821	S	S	*	*			trans	-136.4	149.2	-161.4	175.4	-163.8	-166	-170	8.9	109.9
15	L	26.5	Very low	30	Very low	167 Å²	167	149.1 Å²	149.1	87%	0.874	82%	0.817	S	S	*	*			trans	-170.7	171.7	151	-111.4	169.6	0	0	0	114.6
16	M	23	Very low	29.8	Very low	162 Å²	162	157.6 Å²	157.6	80%	0.798	83%	0.829	S	S	*	*			trans	74.2	139.3	-179.4	-61.6	-154.4	152.9	0	0	116.6
17	L	25	Very low	29.8	Very low	127 Å²	127	159 Å²	159	67%	0.665	82%	0.821	S	S	*	*			cis	-157.3	150.1	-7.7	-115.4	171	0	0	0	111.4
18	K	24.6	Very low	30.1	Very low	179 Å²	179	158.9 Å²	158.9	78%	0.778	83%	0.826	S	S	*	*			trans	34.9	141.7	148.2	-88.9	-178.2	-177.3	176.8	0	121
19	L	25.2	Very low	30.3	Very low	151 Å²	151	155.3 Å²	155.3	79%	0.791	82%	0.815	S	S	*	*			cis	-159	-167.2	23.3	-92	146.6	0	0	0	108.6
20	P	35.6	Very low	30.2	Very low	113 Å²	113	158.7 Å²	158.7	73%	0.734	82%	0.82	S	S	*	*				-126.3	178.8	-52.6	38.2	-22.5	0	0	0	115.3
21	V	28.8	Very low	31.3	Very low	146 Å²	146	166.4 Å²	166.4	89%	0.885	82%	0.824	S	S	*	*			trans	-26	139.5	171.2	-176.7	0	0	0	0	119.6
22	G	25	Very low	32	Very low	75 Å²	75	163.5 Å²	163.5	77%	0.773	82%	0.823	S	S	*	*			trans	-170.8	126.4	158	0	0	0	0	0	113.4
23	T	35.6	Very low	33.1	Very low	136 Å²	136	163.4 Å²	163.4	83%	0.834	82%	0.822	S	S	*	*			trans	-95.9	128.3	-174.9	47	0	0	0	0	113.9
24	L	28.2	Very low	35.2	Very low	167 Å²	167	159.9 Å²	159.9	87%	0.874	82%	0.816	S	S	*	*			trans	-148.9	127.2	144.8	-153	66.7	0	0	0	115.2	R26	L24-R26 PolarHBondContact O-N 3.39Å
25	R	36	Very low	37.7	Very low	216 Å²	216	148.9 Å²	148.9	82%	0.815	78%	0.778	S	S	*	*			trans	-44	112	167.9	-177.7	-170.7	-162.8	-143.4	10.6	113.1
26	R	32.1	Very low	40.8	Very low	247 Å²	247	146.2 Å²	146.2	93%	0.932	76%	0.756	S	S	*	*			trans	-81.8	125.8	162.2	-89.9	-171.8	175.5	175.6	-0	110.1	L24 S28	L24-R26 PolarHBondContact O-N 3.39Å; R26-S28 PolarHBondContact O-N 3.04Å
27	N	30.7	Very low	44.2	Very low	132 Å²	132	146.8 Å²	146.8	71%	0.706	75%	0.749	S	S	*	*			trans	-63.8	121.9	167.7	-74.7	-13.9	0	0	0	109.5	G29	N27-G29 PolarHBondContact O-N 3.45Å; N27-G29 VanDerWaalsContact O-N 3.15Å
28	S	35.4	Very low	47.5	Very low	128 Å²	128	140.8 Å²	140.8	90%	0.895	72%	0.718	S	S	*	*			trans	-84.5	55.4	163.8	60.2	0	0	0	0	110.4	R26	R26-S28 PolarHBondContact O-N 3.04Å
29	G	40	Very low	50.9	Low	54 Å²	54	134 Å²	134	56%	0.557	69%	0.689	S	S	*	*			trans	-81.9	151.4	167.2	0	0	0	0	0	110.6	N27 R31	N27-G29 PolarHBondContact O-N 3.45Å; N27-G29 VanDerWaalsContact O-N 3.15Å; G29-R31 PolarHBondContact O-N 2.94Å
30	E	43.3	Very low	54.3	Low	200 Å²	200	126.8 Å²	126.8	94%	0.935	65%	0.652	S	S	*	*	S	Bend	trans	60.3	47.4	160.8	-54.6	-170.5	125.5	0	0	117.5
31	R	47.8	Very low	57.2	Low	240 Å²	240	123.5 Å²	123.5	91%	0.906	63%	0.626	S	S	*	*			trans	-135.3	153.5	142.4	-69.2	-164.9	178.3	-165.9	-1.6	110.3	G29	G29-R31 PolarHBondContact O-N 2.94Å
32	M	43.9	Very low	60.4	Low	170 Å²	170	117.1 Å²	117.1	84%	0.837	59%	0.587	S	S	*	*			trans	84.6	68.8	-174.3	-49.3	-170.2	-164.4	0	0	116.6	E34	M32-E34 VanDerWaalsContact C-N 3.3Å
33	T	51.2	Low	63.7	Low	142 Å²	142	114 Å²	114	87%	0.871	55%	0.552	S	S	*	*			trans	-86	-2.3	152	44.4	0	0	0	0	112.8
34	E	70.6	Confident	66.3	Low	165 Å²	165	109.3 Å²	109.3	77%	0.771	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-87.3	126	-176.8	-165.2	172.1	-168.9	0	0	111	M32	M32-E34 VanDerWaalsContact C-N 3.3Å
35	G	84.1	Confident	69.1	Low	10 Å²	10	106.5 Å²	106.5	10%	0.103	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-70.5	160.7	176.2	0	0	0	0	0	112.6	L51 V52	G35-L51 VanDerWaalsContact O-CD1 3.32Å; G35-L51 WeakPolarHBondContact O-CD1 3.48Å; G35-V52 CarbonylContact C-O 3.51Å; G35-V52 WeakPolarHBondContact CA-O 3.45Å
36	R	91.2	Very high	71.8	Confident	110 Å²	110	100.9 Å²	100.9	42%	0.415	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.4	173.3	-65.2	-172.5	75.4	-172.9	0.5	109.9	V52 L98 I109	R36-V52 PolarHBondContact N-O 3.07Å; R36-V52 PolarHBondContact O-N 3.25Å; R36-L98 HydrophobicContact CB-CD1 4.19Å; R36-L98 HydrophobicContact CB-CD2 4.04Å; R36-L98 HydrophobicContact CG-CD1 4.05Å; R36-L98 HydrophobicContact CG-CD2 4.4Å; R36-I109 HydrophobicContact CB-CD1 3.95Å
37	R	93.1	Very high	74.8	Confident	174 Å²	174	95.1 Å²	95.1	66%	0.657	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	133.8	170	-67.5	-169.4	-69.2	169.5	-3.3	109.5	L50 L51 P108 I109	R37-L50 CarbonylContact C-O 3.6Å; R37-L50 WeakPolarHBondContact CA-O 3.38Å; R37-L51 HydrophobicContact CG-CD1 4.07Å; R37-P108 HydrophobicContact CB-CB 4.1Å; R37-P108 CarbonylContact O-C 3.51Å; R37-P108 WeakPolarHBondContact O-CA 3.29Å; R37-I109 PolarHBondContact O-N 2.95Å
38	C	95.1	Very high	77.8	Confident	2 Å²	2	90.3 Å²	90.3	1%	0.014	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.7	174.9	-58.8	0	0	0	0	109.4	E49 L50 V52 I109 L111	C38-E49 WeakPolarHBondContact O-CA 3.49Å; C38-L50 PolarHBondContact N-O 3.11Å; C38-L50 PolarHBondContact O-N 3.26Å; C38-V52 HydrophobicContact CB-CG2 3.84Å; C38-V52 WeakPolarHBondContact SG-CG2 3.45Å; C38-I109 CarbonylContact C-O 3.57Å; C38-I109 WeakPolarHBondContact CA-O 3.37Å; C38-I109 HydrophobicContact CB-CB 4.41Å; C38-L111 HydrophobicContact CB-CD1 4.2Å
39	Q	96.2	Very high	80.7	Confident	36 Å²	36	90.5 Å²	90.5	17%	0.168	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	110.5	173.2	-175.3	-178.1	87.5	0	0	107.7	H41 K47 E49 I109 L111	Q39-H41 PolarHBondContact OE1-NE2 3.43Å; Q39-K47 HydrophobicContact CG-CB 4.08Å; Q39-E49 HydrophobicContact CG-CG 4.32Å; Q39-E49 PolarHBondContact NE2-OE1 3.31Å; Q39-I109 PolarHBondContact N-O 2.84Å; Q39-L111 PolarHBondContact O-N 3.49Å
40	V	97.1	Very high	83.2	Confident	0 Å²	0	89.3 Å²	89.3	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.4	176.1	-164.5	0	0	0	0	108.6	L42 K47 L48 L50 V65 L111 F113	V40-L42 HydrophobicContact CB-CD2 4.39Å; V40-L42 HydrophobicContact CG1-CD2 3.95Å; V40-K47 CarbonylContact O-C 3.56Å; V40-K47 WeakPolarHBondContact O-CA 3.35Å; V40-L48 HydrophobicContact CB-CB 4.35Å; V40-L48 PolarHBondContact N-O 3.35Å; V40-L48 PolarHBondContact O-N 3.06Å; V40-L50 HydrophobicContact CG2-CD1 3.98Å; V40-V65 HydrophobicContact CG1-CG2 4.14Å; V40-V65 HydrophobicContact CG2-CG2 4.48Å; V40-L111 CarbonylContact C-O 3.58Å; V40-L111 WeakPolarHBondContact CA-O 3.47Å; V40-L111 HydrophobicContact CG1-CB 4.35Å; V40-L111 HydrophobicContact CG2-CB 4.27Å; V40-L111 HydrophobicContact CG2-CD1 4.31Å; V40-F113 HydrophobicContact CG1-CB 4.3Å
41	H	95.7	Very high	85.6	Confident	43 Å²	43	82.8 Å²	82.8	20%	0.199	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	123.6	171.7	-69	-135	0	0	0	107.4	Q39 L111 Y112 F113	Q39-H41 PolarHBondContact OE1-NE2 3.43Å; H41-L111 PolarHBondContact N-O 2.98Å; H41-Y112 HydrophobicContact CB-CD1 3.74Å; H41-Y112 HydrophobicContact CB-CE1 4.09Å; H41-Y112 AromaticContact CG-CE1 3.96Å; H41-Y112 AromaticContact ND1-CE1 3.97Å; H41-F113 PolarHBondContact O-N 2.97Å
42	L	95.7	Very high	87.8	Confident	12 Å²	12	71.5 Å²	71.5	6%	0.063	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-95.6	167.3	-178.3	-54.2	-172	0	0	0	110.7	V40 D44 D45 R46 V65 F69 F113	V40-L42 HydrophobicContact CB-CD2 4.39Å; V40-L42 HydrophobicContact CG1-CD2 3.95Å; L42-D44 VanDerWaalsContact C-N 3.28Å; L42-D44 WeakPolarHBondContact CB-OD1 3.48Å; L42-D44 PolarHBondContact O-N 3.17Å; L42-D45 PolarHBondContact O-N 3.34Å; L42-R46 HydrophobicContact CB-CB 4.38Å; L42-R46 WeakPolarHBondContact CB-O 3.27Å; L42-R46 HydrophobicContact CD1-CB 4.13Å; L42-R46 HydrophobicContact CG-CB 4.5Å; L42-R46 PolarHBondContact N-O 3.28Å; L42-V65 HydrophobicContact CD2-CG1 3.66Å; L42-F69 HydrophobicContact CB-CE2 4.16Å; L42-F69 HydrophobicContact CB-CZ 3.95Å; L42-F69 HydrophobicContact CD1-CE2 4.14Å; L42-F69 HydrophobicContact CD1-CZ 4.21Å; L42-F69 HydrophobicContact CD2-CE2 4.41Å; L42-F69 HydrophobicContact CG-CE2 4.48Å; L42-F113 HydrophobicContact CD2-CB 4.18Å
43	L	93.7	Very high	90.2	Very high	9 Å²	9	66.4 Å²	66.4	5%	0.047	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-17.4	-176.9	-71.8	173.3	0	0	0	113.7	D45 F77 F113 L133 L136 N137	L43-D45 VanDerWaalsContact C-N 3.31Å; L43-F77 HydrophobicContact CD1-CD1 4.18Å; L43-F77 HydrophobicContact CD1-CE1 3.89Å; L43-F113 HydrophobicContact CD1-CD1 4.02Å; L43-F113 HydrophobicContact CD1-CE1 4Å; L43-F113 WeakPolarHBondContact CD2-O 3.45Å; L43-F113 HydrophobicContact CG-CD1 4.04Å; L43-F113 HydrophobicContact CG-CE1 4.48Å; L43-F113 WeakPolarHBondContact CG-O 3.45Å; L43-L133 HydrophobicContact CB-CD2 3.84Å; L43-L133 HydrophobicContact CD1-CB 4.08Å; L43-L133 HydrophobicContact CD1-CD2 3.95Å; L43-L133 HydrophobicContact CG-CD2 4.48Å; L43-L136 HydrophobicContact CB-CB 4.18Å; L43-L136 WeakPolarHBondContact O-CB 3.25Å; L43-N137 HydrophobicContact CD1-CB 4.11Å; L43-N137 HydrophobicContact CD2-CB 3.81Å
44	D	90.3	Very high	92.1	Very high	39 Å²	39	62 Å²	62	21%	0.209	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	30.4	173.4	61	0.7	0	0	0	112.4	L42 R46 F69 L136	L42-D44 VanDerWaalsContact C-N 3.28Å; L42-D44 WeakPolarHBondContact CB-OD1 3.48Å; L42-D44 PolarHBondContact O-N 3.17Å; D44-R46 VanDerWaalsContact CG-NE 3.25Å; D44-R46 PolarHBondContact O-N 3.2Å; D44-R46 WeakPolarHBondContact OD1-CB 3.49Å; D44-R46 IonicContact OD1-CZ 2.7Å; D44-R46 IonicContact OD1-NE 2.82Å; D44-R46 PolarHBondContact OD1-NE 3.41Å; D44-R46 VanDerWaalsContact OD1-NE 3.16Å; D44-R46 IonicContact OD1-NH2 2.9Å; D44-R46 IonicContact OD2-CZ 3.71Å; D44-R46 IonicContact OD2-NE 3.39Å; D44-R46 PolarHBondContact OD2-NE 3.23Å; D44-R46 IonicContact OD2-NH2 3.28Å; D44-R46 PolarHBondContact OD2-NH2 3.33Å; D44-F69 HydrophobicContact CB-CE1 4.31Å; D44-F69 WeakPolarHBondContact OD2-CE1 3.43Å; D44-L136 HydrophobicContact CB-CD1 4.07Å
45	D	88.6	Confident	93.1	Very high	107 Å²	107	62.3 Å²	62.3	57%	0.572	29%	0.286	S	S	*	.	S	Bend	trans	57.2	-1	-178.7	-64.1	-55.6	0	0	0	116.4	L42 L43	L42-D45 PolarHBondContact O-N 3.34Å; L43-D45 VanDerWaalsContact C-N 3.31Å
46	R	92.8	Very high	93.7	Very high	99 Å²	99	64.1 Å²	64.1	37%	0.374	29%	0.293	S	S	.	.			trans	-63.9	152.1	171.6	-66.1	-171.5	-67	170.2	-6.1	111.1	L42 D44 H68	L42-R46 HydrophobicContact CB-CB 4.38Å; L42-R46 WeakPolarHBondContact CB-O 3.27Å; L42-R46 HydrophobicContact CD1-CB 4.13Å; L42-R46 HydrophobicContact CG-CB 4.5Å; L42-R46 PolarHBondContact N-O 3.28Å; D44-R46 VanDerWaalsContact CG-NE 3.25Å; D44-R46 PolarHBondContact O-N 3.2Å; D44-R46 WeakPolarHBondContact OD1-CB 3.49Å; D44-R46 IonicContact OD1-CZ 2.7Å; D44-R46 IonicContact OD1-NE 2.82Å; D44-R46 PolarHBondContact OD1-NE 3.41Å; D44-R46 VanDerWaalsContact OD1-NE 3.16Å; D44-R46 IonicContact OD1-NH2 2.9Å; D44-R46 IonicContact OD2-CZ 3.71Å; D44-R46 IonicContact OD2-NE 3.39Å; D44-R46 PolarHBondContact OD2-NE 3.23Å; D44-R46 IonicContact OD2-NH2 3.28Å; D44-R46 PolarHBondContact OD2-NH2 3.33Å; R46-H68 PolarHBondContact NH2-O 3.09Å
47	K	94.4	Very high	93.9	Very high	126 Å²	126	61.1 Å²	61.1	55%	0.548	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	119.3	178.3	-65.7	172.4	-170.2	171.2	0	109.8	Q39 V40	Q39-K47 HydrophobicContact CG-CB 4.08Å; V40-K47 CarbonylContact O-C 3.56Å; V40-K47 WeakPolarHBondContact O-CA 3.35Å
48	L	94.3	Very high	94.1	Very high	31 Å²	31	52.9 Å²	52.9	16%	0.162	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	110.9	179.9	-177.9	65.5	0	0	0	109.4	V40 L50 V65	V40-L48 HydrophobicContact CB-CB 4.35Å; V40-L48 PolarHBondContact N-O 3.35Å; V40-L48 PolarHBondContact O-N 3.06Å; L48-L50 HydrophobicContact CD1-CD2 4.31Å; L48-L50 HydrophobicContact CD2-CD1 4.06Å; L48-L50 HydrophobicContact CD2-CD2 4.17Å; L48-L50 HydrophobicContact CD2-CG 4.28Å; L48-L50 HydrophobicContact CG-CD1 4.28Å; L48-L50 HydrophobicContact CG-CD2 3.94Å; L48-L50 HydrophobicContact CG-CG 3.99Å; L48-V65 HydrophobicContact CD2-CG2 4.4Å
49	E	94.8	Very high	94.1	Very high	132 Å²	132	57.9 Å²	57.9	62%	0.617	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.6	177.7	-55.9	-148.1	144.7	0	0	111.2	C38 Q39	C38-E49 WeakPolarHBondContact O-CA 3.49Å; Q39-E49 HydrophobicContact CG-CG 4.32Å; Q39-E49 PolarHBondContact NE2-OE1 3.31Å
50	L	93.4	Very high	94.1	Very high	29 Å²	29	59.1 Å²	59.1	15%	0.152	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.5	-172.5	-61.9	175.4	0	0	0	111.1	R37 C38 V40 L48 V52 L61 L64	R37-L50 CarbonylContact C-O 3.6Å; R37-L50 WeakPolarHBondContact CA-O 3.38Å; C38-L50 PolarHBondContact N-O 3.11Å; C38-L50 PolarHBondContact O-N 3.26Å; V40-L50 HydrophobicContact CG2-CD1 3.98Å; L48-L50 HydrophobicContact CD1-CD2 4.31Å; L48-L50 HydrophobicContact CD2-CD1 4.06Å; L48-L50 HydrophobicContact CD2-CD2 4.17Å; L48-L50 HydrophobicContact CD2-CG 4.28Å; L48-L50 HydrophobicContact CG-CD1 4.28Å; L48-L50 HydrophobicContact CG-CD2 3.94Å; L48-L50 HydrophobicContact CG-CG 3.99Å; L50-V52 HydrophobicContact CB-CG2 4.28Å; L50-L61 HydrophobicContact CD1-CD1 3.51Å; L50-L64 HydrophobicContact CD1-CD2 4.05Å; L50-L64 HydrophobicContact CD2-CD2 4.16Å
51	L	94.2	Very high	94.1	Very high	63 Å²	63	59.1 Å²	59.1	33%	0.33	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	91.8	165.3	-173.3	66.4	0	0	0	108.6	G35 R37 Q53 I378	G35-L51 VanDerWaalsContact O-CD1 3.32Å; G35-L51 WeakPolarHBondContact O-CD1 3.48Å; R37-L51 HydrophobicContact CG-CD1 4.07Å; L51-Q53 PolarHBondContact O-N 3.05Å; L51-I378 HydrophobicContact CB-CG2 4.09Å; L51-I378 HydrophobicContact CD2-CG2 4.07Å
52	V	93.8	Very high	94.2	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	120.3	-176	170.3	0	0	0	0	110.1	G35 R36 C38 L50 L56 V97 L98	G35-V52 CarbonylContact C-O 3.51Å; G35-V52 WeakPolarHBondContact CA-O 3.45Å; R36-V52 PolarHBondContact N-O 3.07Å; R36-V52 PolarHBondContact O-N 3.25Å; C38-V52 HydrophobicContact CB-CG2 3.84Å; C38-V52 WeakPolarHBondContact SG-CG2 3.45Å; L50-V52 HydrophobicContact CB-CG2 4.28Å; V52-L56 HydrophobicContact CG1-CB 4.34Å; V52-L56 HydrophobicContact CG1-CD2 4.03Å; V52-L56 HydrophobicContact CG2-CD2 4.23Å; V52-V97 HydrophobicContact CG1-CB 3.81Å; V52-V97 HydrophobicContact CG1-CG1 3.9Å; V52-V97 HydrophobicContact CG1-CG2 4.41Å; V52-L98 HydrophobicContact CB-CD2 4.33Å; V52-L98 HydrophobicContact CG1-CD1 4.43Å; V52-L98 HydrophobicContact CG1-CD2 3.76Å; V52-L98 HydrophobicContact CG1-CG 3.86Å
53	Q	93.4	Very high	94.2	Very high	62 Å²	62	60 Å²	60	29%	0.29	29%	0.289	S	S	.	.			trans	-78.9	146.8	179.6	-69.1	-66	-11.6	0	0	111.9	L51 K55 L56	L51-Q53 PolarHBondContact O-N 3.05Å; Q53-K55 PolarHBondContact O-N 2.94Å; Q53-L56 PolarHBondContact O-N 2.89Å
54	P	91.3	Very high	94.3	Very high	50 Å²	50	62.9 Å²	62.9	33%	0.325	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	2.2	178.2	-22.7	34	0	0	0	116.6	R96 L98	P54-R96 WeakPolarHBondContact O-CD 3.48Å; P54-R96 PolarHBondContact O-NH1 3.24Å; P54-L98 HydrophobicContact CB-CD1 4.5Å; P54-L98 HydrophobicContact CG-CD1 4.24Å
55	K	92.9	Very high	94.6	Very high	171 Å²	171	61 Å²	61	74%	0.743	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-7.8	175.8	-66.2	-175.2	-179.2	179.3	0	113.8	Q53 M57	Q53-K55 PolarHBondContact O-N 2.94Å; K55-M57 PolarHBondContact O-N 3.49Å
56	L	95.4	Very high	94.9	Very high	48 Å²	48	56.1 Å²	56.1	25%	0.251	27%	0.268	S	S	.	.			trans	-70.4	123.3	-175.4	-172.9	68	0	0	0	111	V52 Q53 D60 L61 R96 V97	V52-L56 HydrophobicContact CG1-CB 4.34Å; V52-L56 HydrophobicContact CG1-CD2 4.03Å; V52-L56 HydrophobicContact CG2-CD2 4.23Å; Q53-L56 PolarHBondContact O-N 2.89Å; L56-D60 HydrophobicContact CD1-CB 3.73Å; L56-L61 HydrophobicContact CD2-CB 4.05Å; L56-L61 HydrophobicContact CD2-CD1 4.11Å; L56-R96 VanDerWaalsContact O-CA 3.27Å; L56-R96 WeakPolarHBondContact O-CA 3.5Å; L56-R96 WeakPolarHBondContact O-CB 3.29Å; L56-V97 HydrophobicContact CD2-CG2 4.26Å; L56-V97 HydrophobicContact CG-CG2 4.32Å; L56-V97 PolarHBondContact O-N 3.32Å
57	M	96.6	Very high	94.9	Very high	47 Å²	47	55 Å²	55	23%	0.232	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-77.1	150.9	174	-52	-62.4	-63.4	0	0	110.5	K55 K59 D60 L61 D94 R96	K55-M57 PolarHBondContact O-N 3.49Å; M57-K59 HydrophobicContact CB-CG 3.74Å; M57-K59 PolarHBondContact O-N 3.29Å; M57-D60 HydrophobicContact CB-CB 4.49Å; M57-D60 WeakPolarHBondContact CB-OD2 3.41Å; M57-D60 WeakPolarHBondContact CG-OD2 3.3Å; M57-D60 PolarHBondContact N-OD2 3.33Å; M57-D60 VanDerWaalsContact N-OD2 3.1Å; M57-D60 PolarHBondContact O-N 3.35Å; M57-L61 PolarHBondContact O-N 2.89Å; M57-L61 VanDerWaalsContact O-N 3.14Å; M57-D94 WeakPolarHBondContact CE-O 3.49Å; M57-R96 HydrophobicContact SD-CG 3.68Å
58	S	95.8	Very high	94.8	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-68.4	-26.4	179.8	-47.4	0	0	0	0	112.4	L62 Q92 R95 H100	S58-L62 PolarHBondContact O-N 3.43Å; S58-Q92 VanDerWaalsContact CB-O 3.28Å; S58-Q92 WeakPolarHBondContact CB-O 3.39Å; S58-Q92 PolarHBondContact OG-O 2.93Å; S58-R95 WeakPolarHBondContact CB-O 3.32Å; S58-R95 PolarHBondContact N-O 2.87Å; S58-R95 PolarHBondContact OG-O 2.89Å; S58-H100 PolarHBondContact OG-CE1 3.41Å
59	K	95.8	Very high	94.7	Very high	108 Å²	108	52.8 Å²	52.8	47%	0.47	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-41.7	165.8	63.2	172.3	-168.9	164.6	0	112.8	M57 L61 L62 D63 L93	M57-K59 HydrophobicContact CB-CG 3.74Å; M57-K59 PolarHBondContact O-N 3.29Å; K59-L61 VanDerWaalsContact C-N 3.3Å; K59-L61 PolarHBondContact O-N 3.21Å; K59-L62 PolarHBondContact O-N 3.37Å; K59-D63 WeakPolarHBondContact O-CB 3.42Å; K59-D63 PolarHBondContact O-N 3.14Å; K59-L93 HydrophobicContact CB-CB 4.16Å; K59-L93 WeakPolarHBondContact CB-O 3.45Å; K59-L93 WeakPolarHBondContact CG-O 3.27Å; K59-L93 PolarHBondContact N-O 3.38Å
60	D	96.7	Very high	94.5	Very high	62 Å²	62	52.7 Å²	52.7	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-70.7	-34.1	-175.9	-49	-30.3	0	0	0	110	L56 M57 L64	L56-D60 HydrophobicContact CD1-CB 3.73Å; M57-D60 HydrophobicContact CB-CB 4.49Å; M57-D60 WeakPolarHBondContact CB-OD2 3.41Å; M57-D60 WeakPolarHBondContact CG-OD2 3.3Å; M57-D60 PolarHBondContact N-OD2 3.33Å; M57-D60 VanDerWaalsContact N-OD2 3.1Å; M57-D60 PolarHBondContact O-N 3.35Å; D60-L64 WeakPolarHBondContact O-CB 3.38Å; D60-L64 PolarHBondContact O-N 3.46Å
61	L	97.1	Very high	94.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68.5	-40.6	171.7	-176.1	66.1	0	0	0	112.1	L50 L56 M57 K59 D63 L64 V65 I79 L91 V97 L111	L50-L61 HydrophobicContact CD1-CD1 3.51Å; L56-L61 HydrophobicContact CD2-CB 4.05Å; L56-L61 HydrophobicContact CD2-CD1 4.11Å; M57-L61 PolarHBondContact O-N 2.89Å; M57-L61 VanDerWaalsContact O-N 3.14Å; K59-L61 VanDerWaalsContact C-N 3.3Å; K59-L61 PolarHBondContact O-N 3.21Å; L61-D63 VanDerWaalsContact C-N 3.34Å; L61-L64 PolarHBondContact O-N 3.27Å; L61-V65 WeakPolarHBondContact O-CG2 3.44Å; L61-V65 PolarHBondContact O-N 3Å; L61-I79 HydrophobicContact CB-CD1 4.27Å; L61-I79 HydrophobicContact CD2-CD1 3.79Å; L61-I79 HydrophobicContact CG-CD1 3.59Å; L61-L91 HydrophobicContact CD2-CD1 4.27Å; L61-V97 HydrophobicContact CB-CG2 4.02Å; L61-V97 HydrophobicContact CD2-CG1 4.12Å; L61-V97 HydrophobicContact CD2-CG2 3.78Å; L61-L111 HydrophobicContact CD2-CD1 3.76Å
62	L	97.4	Very high	94.3	Very high	7 Å²	7	55.3 Å²	55.3	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-42.5	174	178.9	62.1	0	0	0	111.1	S58 K59 V65 A66 I79 L93 F113	S58-L62 PolarHBondContact O-N 3.43Å; K59-L62 PolarHBondContact O-N 3.37Å; L62-V65 PolarHBondContact O-N 3.34Å; L62-A66 WeakPolarHBondContact O-CB 3.41Å; L62-A66 PolarHBondContact O-N 2.87Å; L62-I79 HydrophobicContact CB-CD1 4.45Å; L62-I79 HydrophobicContact CD1-CG1 4.31Å; L62-L93 HydrophobicContact CB-CD2 4.42Å; L62-L93 HydrophobicContact CD2-CD1 4.24Å; L62-L93 HydrophobicContact CD2-CD2 3.87Å; L62-F113 HydrophobicContact CD1-CD2 4.15Å; L62-F113 HydrophobicContact CD1-CE2 3.78Å
63	D	96.6	Very high	94.3	Very high	67 Å²	67	55.6 Å²	55.6	36%	0.358	28%	0.279	S	S	.	.	H	α-helix	trans	-64.4	-42	177.9	-77.4	16.9	0	0	0	112	K59 L61 A66 S67 K74	K59-D63 WeakPolarHBondContact O-CB 3.42Å; K59-D63 PolarHBondContact O-N 3.14Å; L61-D63 VanDerWaalsContact C-N 3.34Å; D63-A66 PolarHBondContact O-N 3.37Å; D63-S67 PolarHBondContact O-N 3.39Å; D63-K74 WeakPolarHBondContact OD1-CD 3.23Å; D63-K74 WeakPolarHBondContact OD1-CE 3.49Å; D63-K74 IonicContact OD1-NZ 2.78Å; D63-K74 PolarHBondContact OD1-NZ 3.18Å; D63-K74 IonicContact OD2-NZ 3.21Å; D63-K74 PolarHBondContact OD2-NZ 2.95Å
64	L	95.8	Very high	94.4	Very high	69 Å²	69	56.2 Å²	56.2	36%	0.361	28%	0.28	S	S	.	.	H	α-helix	trans	-58.5	-47.5	172.1	178	63.9	0	0	0	111.4	L50 D60 L61 S67 H68	L50-L64 HydrophobicContact CD1-CD2 4.05Å; L50-L64 HydrophobicContact CD2-CD2 4.16Å; D60-L64 WeakPolarHBondContact O-CB 3.38Å; D60-L64 PolarHBondContact O-N 3.46Å; L61-L64 PolarHBondContact O-N 3.27Å; L64-S67 PolarHBondContact O-N 3.3Å; L64-S67 PolarHBondContact O-OG 2.77Å; L64-H68 PolarHBondContact O-CD2 2.96Å
65	V	96.1	Very high	94.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-68.9	-39.6	-179.3	173.8	0	0	0	0	111.9	V40 L42 L48 L61 L62 S67 H68 I79 F113	V40-V65 HydrophobicContact CG1-CG2 4.14Å; V40-V65 HydrophobicContact CG2-CG2 4.48Å; L42-V65 HydrophobicContact CD2-CG1 3.66Å; L48-V65 HydrophobicContact CD2-CG2 4.4Å; L61-V65 WeakPolarHBondContact O-CG2 3.44Å; L61-V65 PolarHBondContact O-N 3Å; L62-V65 PolarHBondContact O-N 3.34Å; V65-S67 VanDerWaalsContact C-N 3.26Å; V65-S67 PolarHBondContact O-N 3.48Å; V65-H68 WeakPolarHBondContact O-CB 3.39Å; V65-H68 PolarHBondContact O-N 3.22Å; V65-I79 HydrophobicContact CG2-CD1 4.11Å; V65-F113 HydrophobicContact CB-CD2 4.42Å; V65-F113 HydrophobicContact CG1-CB 3.87Å; V65-F113 HydrophobicContact CG1-CD1 4.01Å; V65-F113 HydrophobicContact CG1-CD2 3.5Å; V65-F113 HydrophobicContact CG1-CE1 4.43Å; V65-F113 HydrophobicContact CG1-CE2 3.97Å; V65-F113 HydrophobicContact CG1-CG 3.52Å; V65-F113 HydrophobicContact CG1-CZ 4.41Å
66	A	95.1	Very high	94.6	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-35.2	174.1	0	0	0	0	0	112.1	L62 D63 H68 F69 N70 L71 K74	L62-A66 WeakPolarHBondContact O-CB 3.41Å; L62-A66 PolarHBondContact O-N 2.87Å; D63-A66 PolarHBondContact O-N 3.37Å; A66-H68 VanDerWaalsContact C-N 3.29Å; A66-H68 PolarHBondContact O-N 3.43Å; A66-F69 CarbonylContact O-C 3.5Å; A66-F69 PolarHBondContact O-N 2.95Å; A66-F69 VanDerWaalsContact O-N 3.08Å; A66-N70 PolarHBondContact O-N 2.81Å; A66-L71 HydrophobicContact CB-CB 4.23Å; A66-L71 HydrophobicContact CB-CD2 4.28Å; A66-L71 WeakPolarHBondContact O-CB 3.36Å; A66-L71 PolarHBondContact O-N 3.42Å; A66-L71 VanDerWaalsContact O-N 3.08Å; A66-K74 HydrophobicContact CB-CB 3.96Å; A66-K74 HydrophobicContact CB-CD 4.47Å
67	S	93.3	Very high	94.7	Very high	76 Å²	76	49.4 Å²	49.4	53%	0.531	25%	0.245	S	C	.	.	H	α-helix	trans	-64.1	-30.3	177.3	80.7	0	0	0	0	113.5	D63 L64 V65 F69 N70	D63-S67 PolarHBondContact O-N 3.39Å; L64-S67 PolarHBondContact O-N 3.3Å; L64-S67 PolarHBondContact O-OG 2.77Å; V65-S67 VanDerWaalsContact C-N 3.26Å; V65-S67 PolarHBondContact O-N 3.48Å; S67-F69 PolarHBondContact O-N 2.8Å; S67-F69 VanDerWaalsContact O-N 3.14Å; S67-N70 PolarHBondContact O-N 3.44Å; S67-N70 VanDerWaalsContact O-N 3.08Å
68	H	91.2	Very high	94.7	Very high	78 Å²	78	47.1 Å²	47.1	36%	0.361	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-10.7	174.2	-82.9	-81.6	0	0	0	114.2	R46 L64 V65 A66	R46-H68 PolarHBondContact NH2-O 3.09Å; L64-H68 PolarHBondContact O-CD2 2.96Å; V65-H68 WeakPolarHBondContact O-CB 3.39Å; V65-H68 PolarHBondContact O-N 3.22Å; A66-H68 VanDerWaalsContact C-N 3.29Å; A66-H68 PolarHBondContact O-N 3.43Å
69	F	91.5	Very high	94.8	Very high	32 Å²	32	47.2 Å²	47.2	14%	0.14	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	3.3	174.9	-68.7	-70.5	0	0	0	113.1	L42 D44 A66 S67 L71 F113 L133	L42-F69 HydrophobicContact CB-CE2 4.16Å; L42-F69 HydrophobicContact CB-CZ 3.95Å; L42-F69 HydrophobicContact CD1-CE2 4.14Å; L42-F69 HydrophobicContact CD1-CZ 4.21Å; L42-F69 HydrophobicContact CD2-CE2 4.41Å; L42-F69 HydrophobicContact CG-CE2 4.48Å; D44-F69 HydrophobicContact CB-CE1 4.31Å; D44-F69 WeakPolarHBondContact OD2-CE1 3.43Å; A66-F69 CarbonylContact O-C 3.5Å; A66-F69 PolarHBondContact O-N 2.95Å; A66-F69 VanDerWaalsContact O-N 3.08Å; S67-F69 PolarHBondContact O-N 2.8Å; S67-F69 VanDerWaalsContact O-N 3.14Å; F69-L71 HydrophobicContact CB-CB 4.09Å; F69-L71 PolarHBondContact O-N 3.15Å; F69-L71 VanDerWaalsContact O-N 3.12Å; F69-F113 HydrophobicContact CD2-CD1 4.49Å; F69-F113 AromaticContact CD2-CE1 3.93Å; F69-F113 HydrophobicContact CD2-CE1 3.93Å; F69-F113 AromaticContact CE2-CD1 3.98Å; F69-F113 HydrophobicContact CE2-CD1 3.98Å; F69-F113 AromaticContact CE2-CE1 3.84Å; F69-F113 HydrophobicContact CE2-CE1 3.84Å; F69-L133 HydrophobicContact CB-CD1 4.01Å; F69-L133 HydrophobicContact CD1-CD1 4.31Å; F69-L133 HydrophobicContact CD1-CD2 3.75Å; F69-L133 HydrophobicContact CD1-CG 4.42Å; F69-L133 HydrophobicContact CD2-CD1 4.29Å; F69-L133 HydrophobicContact CD2-CD2 4.29Å; F69-L133 HydrophobicContact CE1-CD2 3.64Å; F69-L133 HydrophobicContact CE2-CD2 4.2Å; F69-L133 HydrophobicContact CG-CD1 3.96Å; F69-L133 HydrophobicContact CG-CD2 4.07Å; F69-L133 HydrophobicContact CZ-CD2 3.88Å
70	N	90.7	Very high	94.7	Very high	129 Å²	129	42.1 Å²	42.1	69%	0.69	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	29.8	-170.6	-163.8	56.6	0	0	0	113.3	A66 S67 K72	A66-N70 PolarHBondContact O-N 2.81Å; S67-N70 PolarHBondContact O-N 3.44Å; S67-N70 VanDerWaalsContact O-N 3.08Å; N70-K72 PolarHBondContact O-N 2.77Å
71	L	93.1	Very high	94.6	Very high	13 Å²	13	40.2 Å²	40.2	7%	0.068	20%	0.201	C	C	.	.			trans	-74.9	120.7	-164.8	172.8	63.7	0	0	0	112.1	A66 F69 K74 F77 F113 T130 L133	A66-L71 HydrophobicContact CB-CB 4.23Å; A66-L71 HydrophobicContact CB-CD2 4.28Å; A66-L71 WeakPolarHBondContact O-CB 3.36Å; A66-L71 PolarHBondContact O-N 3.42Å; A66-L71 VanDerWaalsContact O-N 3.08Å; F69-L71 HydrophobicContact CB-CB 4.09Å; F69-L71 PolarHBondContact O-N 3.15Å; F69-L71 VanDerWaalsContact O-N 3.12Å; L71-K74 HydrophobicContact CD2-CB 4.25Å; L71-K74 HydrophobicContact CG-CB 4.44Å; L71-F77 HydrophobicContact CD1-CE2 4.06Å; L71-F77 HydrophobicContact CD2-CD2 3.58Å; L71-F77 HydrophobicContact CD2-CE2 3.62Å; L71-F77 HydrophobicContact CD2-CG 4.26Å; L71-F77 HydrophobicContact CD2-CZ 4.33Å; L71-F77 HydrophobicContact CG-CE2 4.43Å; L71-F113 HydrophobicContact CD2-CZ 4.05Å; L71-T130 HydrophobicContact CD1-CG2 4.37Å; L71-T130 WeakPolarHBondContact CD1-OG1 3.21Å; L71-L133 HydrophobicContact CD1-CD1 4.17Å; L71-L133 HydrophobicContact CD2-CD1 3.99Å; L71-L133 HydrophobicContact CG-CD1 4.5Å
72	K	91.9	Very high	94.2	Very high	134 Å²	134	42.1 Å²	42.1	58%	0.583	21%	0.213	S	C	*	.	S	Bend	trans	-80.2	-42.8	178.5	-59.4	-179.8	-164.5	73.9	0	112.8	N70 K74 D127	N70-K72 PolarHBondContact O-N 2.77Å; K72-K74 PolarHBondContact O-N 2.77Å; K72-D127 HydrophobicContact CB-CB 4.33Å; K72-D127 WeakPolarHBondContact CB-OD2 3.28Å; K72-D127 HydrophobicContact CD-CB 4.45Å; K72-D127 VanDerWaalsContact CG-OD2 3.27Å; K72-D127 WeakPolarHBondContact CG-OD2 3.42Å; K72-D127 PolarHBondContact N-OD2 3.27Å; K72-D127 IonicContact NZ-OD1 2.67Å; K72-D127 PolarHBondContact NZ-OD1 3.41Å; K72-D127 IonicContact NZ-OD2 3.73Å; K72-D127 PolarHBondContact NZ-OD2 2.97Å
73	E	93.4	Very high	93.6	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.047	22%	0.215	C	C	.	.			trans	-96.4	53.5	-172.8	-54.7	176.7	104.6	0	0	111.8	E75 Y76 K126 D127 T130	E73-E75 VanDerWaalsContact CA-OE2 3.25Å; E73-E75 WeakPolarHBondContact CA-OE2 3.37Å; E73-E75 PolarHBondContact O-N 2.89Å; E73-E75 VanDerWaalsContact O-N 3.15Å; E73-Y76 HydrophobicContact CB-CD2 3.78Å; E73-Y76 HydrophobicContact CB-CE2 3.75Å; E73-Y76 HydrophobicContact CG-CE2 4.41Å; E73-Y76 WeakPolarHBondContact O-CD2 3.37Å; E73-Y76 PolarHBondContact O-N 2.83Å; E73-K126 WeakPolarHBondContact OE1-CG 3.37Å; E73-K126 PolarHBondContact OE1-N 3.33Å; E73-K126 PolarHBondContact OE2-N 2.87Å; E73-D127 HydrophobicContact CG-CB 4.41Å; E73-D127 PolarHBondContact OE2-N 2.9Å; E73-T130 HydrophobicContact CB-CG2 4.13Å; E73-T130 WeakPolarHBondContact OE2-CB 3.39Å; E73-T130 PolarHBondContact OE2-OG1 3.44Å
74	K	94.2	Very high	92.9	Very high	74 Å²	74	45.6 Å²	45.6	32%	0.322	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-63.1	-17.3	-176	64.8	-178.3	176.6	179.8	0	114.2	D63 A66 L71 K72 Y76 F77	D63-K74 WeakPolarHBondContact OD1-CD 3.23Å; D63-K74 WeakPolarHBondContact OD1-CE 3.49Å; D63-K74 IonicContact OD1-NZ 2.78Å; D63-K74 PolarHBondContact OD1-NZ 3.18Å; D63-K74 IonicContact OD2-NZ 3.21Å; D63-K74 PolarHBondContact OD2-NZ 2.95Å; A66-K74 HydrophobicContact CB-CB 3.96Å; A66-K74 HydrophobicContact CB-CD 4.47Å; L71-K74 HydrophobicContact CD2-CB 4.25Å; L71-K74 HydrophobicContact CG-CB 4.44Å; K72-K74 PolarHBondContact O-N 2.77Å; K74-Y76 PolarHBondContact O-N 2.64Å; K74-F77 PolarHBondContact O-N 2.93Å; K74-F77 VanDerWaalsContact O-N 3.12Å
75	E	93	Very high	92.2	Very high	111 Å²	111	46.6 Å²	46.6	52%	0.519	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-62.2	-21.8	179.9	62.5	-93.7	-141.2	0	0	114.4	E73 F77 F117	E73-E75 VanDerWaalsContact CA-OE2 3.25Å; E73-E75 WeakPolarHBondContact CA-OE2 3.37Å; E73-E75 PolarHBondContact O-N 2.89Å; E73-E75 VanDerWaalsContact O-N 3.15Å; E75-F77 VanDerWaalsContact C-N 3.29Å; E75-F77 PolarHBondContact O-N 2.82Å; E75-F117 WeakPolarHBondContact O-CD2 3.4Å
76	Y	96.1	Very high	91.4	Very high	12 Å²	12	49 Å²	49	5%	0.047	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-75.9	-16.8	176.2	-62.9	-66.9	0	0	0	113.4	E73 K74 R116 F117 I119 L125 T130 F134 F334 R338	E73-Y76 HydrophobicContact CB-CD2 3.78Å; E73-Y76 HydrophobicContact CB-CE2 3.75Å; E73-Y76 HydrophobicContact CG-CE2 4.41Å; E73-Y76 WeakPolarHBondContact O-CD2 3.37Å; E73-Y76 PolarHBondContact O-N 2.83Å; K74-Y76 PolarHBondContact O-N 2.64Å; Y76-R116 PolarHBondContact O-N 2.72Å; Y76-F117 PolarHBondContact O-N 3.14Å; Y76-I119 HydrophobicContact CD1-CG2 3.98Å; Y76-I119 HydrophobicContact CE1-CG2 3.5Å; Y76-L125 HydrophobicContact CD2-CD2 3.79Å; Y76-L125 HydrophobicContact CE1-CD2 4.41Å; Y76-L125 HydrophobicContact CE2-CD2 3.31Å; Y76-L125 HydrophobicContact CG-CD2 4.5Å; Y76-T130 HydrophobicContact CD2-CG2 3.99Å; Y76-T130 HydrophobicContact CE2-CG2 4.49Å; Y76-F134 HydrophobicContact CD1-CZ 4.4Å; Y76-F134 HydrophobicContact CD2-CE2 4.49Å; Y76-F134 HydrophobicContact CG-CE2 4.13Å; Y76-F134 HydrophobicContact CG-CZ 4.21Å; Y76-F334 AromaticContact CD1-CE2 3.76Å; Y76-F334 HydrophobicContact CD1-CE2 3.76Å; Y76-F334 AromaticContact CD1-CZ 3.77Å; Y76-F334 HydrophobicContact CD1-CZ 3.77Å; Y76-F334 AromaticContact CE1-CE2 3.75Å; Y76-F334 HydrophobicContact CE1-CE2 3.75Å; Y76-F334 AromaticContact CE1-CZ 3.69Å; Y76-F334 HydrophobicContact CE1-CZ 3.69Å; Y76-R338 PolarHBondContact OH-NH1 3.04Å
77	F	97.4	Very high	90.9	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.013	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	170.2	-170.1	-59.5	-94.1	0	0	0	112.4	L43 L71 K74 E75 F113 C114 V115 T130 L133 F134	L43-F77 HydrophobicContact CD1-CD1 4.18Å; L43-F77 HydrophobicContact CD1-CE1 3.89Å; L71-F77 HydrophobicContact CD1-CE2 4.06Å; L71-F77 HydrophobicContact CD2-CD2 3.58Å; L71-F77 HydrophobicContact CD2-CE2 3.62Å; L71-F77 HydrophobicContact CD2-CG 4.26Å; L71-F77 HydrophobicContact CD2-CZ 4.33Å; L71-F77 HydrophobicContact CG-CE2 4.43Å; K74-F77 PolarHBondContact O-N 2.93Å; K74-F77 VanDerWaalsContact O-N 3.12Å; E75-F77 VanDerWaalsContact C-N 3.29Å; E75-F77 PolarHBondContact O-N 2.82Å; F77-F113 HydrophobicContact CB-CD2 4.42Å; F77-F113 HydrophobicContact CB-CE2 3.55Å; F77-F113 HydrophobicContact CB-CZ 3.81Å; F77-F113 HydrophobicContact CD1-CE1 4.03Å; F77-F113 HydrophobicContact CD1-CE2 4.2Å; F77-F113 AromaticContact CD1-CZ 3.67Å; F77-F113 HydrophobicContact CD1-CZ 3.67Å; F77-F113 HydrophobicContact CD2-CZ 4.45Å; F77-F113 HydrophobicContact CE1-CZ 4.4Å; F77-F113 HydrophobicContact CG-CE2 4.01Å; F77-F113 AromaticContact CG-CZ 3.7Å; F77-F113 HydrophobicContact CG-CZ 3.7Å; F77-C114 WeakPolarHBondContact CA-O 3.23Å; F77-V115 HydrophobicContact CD1-CG2 4.01Å; F77-V115 HydrophobicContact CE1-CG2 3.59Å; F77-V115 HydrophobicContact CZ-CG2 4.31Å; F77-T130 HydrophobicContact CE2-CG2 3.93Å; F77-T130 HydrophobicContact CZ-CG2 4.18Å; F77-L133 HydrophobicContact CE1-CB 3.71Å; F77-L133 HydrophobicContact CE1-CD1 4.28Å; F77-L133 HydrophobicContact CZ-CB 3.66Å; F77-L133 HydrophobicContact CZ-CD1 4.08Å; F77-F134 HydrophobicContact CE2-CE2 4.37Å; F77-F134 AromaticContact CZ-CD2 3.96Å; F77-F134 HydrophobicContact CZ-CD2 3.96Å; F77-F134 HydrophobicContact CZ-CE2 4.02Å
78	G	96.8	Very high	90.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	175	168.9	0	0	0	0	0	111.4	C114	G78-C114 PolarHBondContact N-O 3.26Å; G78-C114 PolarHBondContact O-N 2.59Å; G78-C114 VanDerWaalsContact O-N 3.08Å
79	I	96.8	Very high	90.5	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.015	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.9	170.6	-61.4	176.9	0	0	0	107.7	L61 L62 V65 L91 L111 Y112 F113	L61-I79 HydrophobicContact CB-CD1 4.27Å; L61-I79 HydrophobicContact CD2-CD1 3.79Å; L61-I79 HydrophobicContact CG-CD1 3.59Å; L62-I79 HydrophobicContact CB-CD1 4.45Å; L62-I79 HydrophobicContact CD1-CG1 4.31Å; V65-I79 HydrophobicContact CG2-CD1 4.11Å; I79-L91 HydrophobicContact CB-CD1 3.97Å; I79-L91 HydrophobicContact CB-CG 4.37Å; I79-L91 HydrophobicContact CG2-CD1 3.66Å; I79-L91 HydrophobicContact CG2-CG 4.2Å; I79-L91 PolarHBondContact O-N 3.09Å; I79-L111 HydrophobicContact CG2-CB 3.84Å; I79-L111 HydrophobicContact CG2-CD1 4.23Å; I79-L111 HydrophobicContact CG2-CD2 4.36Å; I79-L111 HydrophobicContact CG2-CG 4.37Å; I79-Y112 CarbonylContact C-O 3.5Å; I79-Y112 VanDerWaalsContact CA-O 3.31Å; I79-Y112 WeakPolarHBondContact CA-O 3.49Å; I79-F113 HydrophobicContact CG1-CD2 4.43Å
80	A	95.2	Very high	90.6	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	162.7	176.4	0	0	0	0	0	111	F88 S89 W90 L111 Y112	A80-F88 HydrophobicContact CB-CD1 4.15Å; A80-S89 CarbonylContact C-O 3.6Å; A80-S89 WeakPolarHBondContact CA-O 3.29Å; A80-W90 HydrophobicContact CB-CD2 3.97Å; A80-W90 HydrophobicContact CB-CE3 3.91Å; A80-W90 HydrophobicContact CB-CH2 4.43Å; A80-W90 HydrophobicContact CB-CZ2 4.45Å; A80-W90 HydrophobicContact CB-CZ3 4.15Å; A80-L111 CarbonylContact O-C 3.24Å; A80-L111 WeakPolarHBondContact O-CA 3.47Å; A80-Y112 PolarHBondContact N-O 3.01Å; A80-Y112 PolarHBondContact O-N 3.13Å
81	Y	93.6	Very high	90.8	Very high	21 Å²	21	42.2 Å²	42.2	8%	0.082	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.6	167.5	64.7	-80.7	0	0	0	109.1	D83 S89 L91 H100 F102	Y81-D83 HydrophobicContact CE2-CB 4.42Å; Y81-S89 WeakPolarHBondContact CD1-O 3.31Å; Y81-S89 WeakPolarHBondContact CE1-O 3.5Å; Y81-S89 PolarHBondContact N-O 3.27Å; Y81-S89 PolarHBondContact O-N 3.19Å; Y81-L91 HydrophobicContact CD1-CD2 3.76Å; Y81-L91 HydrophobicContact CE1-CD2 3.89Å; Y81-H100 HydrophobicContact CE1-CB 4.27Å; Y81-F102 HydrophobicContact CD1-CD1 4.18Å; Y81-F102 AromaticContact CD1-CE1 3.8Å; Y81-F102 HydrophobicContact CD1-CE1 3.8Å; Y81-F102 AromaticContact CD2-CD1 3.73Å; Y81-F102 HydrophobicContact CD2-CD1 3.73Å; Y81-F102 HydrophobicContact CD2-CE1 4.2Å; Y81-F102 HydrophobicContact CE1-CE1 4.27Å; Y81-F102 HydrophobicContact CE2-CD1 4.12Å; Y81-F102 AromaticContact CG-CD1 3.76Å; Y81-F102 HydrophobicContact CG-CD1 3.76Å; Y81-F102 AromaticContact CG-CE1 3.77Å; Y81-F102 HydrophobicContact CG-CE1 3.77Å
82	T	89.9	Confident	90.7	Very high	41 Å²	41	44.7 Å²	44.7	25%	0.252	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.3	171.6	-48.2	0	0	0	0	108.9	H87 P103	T82-H87 WeakPolarHBondContact CA-O 3.41Å; T82-P103 WeakPolarHBondContact O-CG 3.43Å
83	D	83.8	Confident	90.7	Very high	15 Å²	15	41.4 Å²	41.4	8%	0.08	21%	0.214	C	C	.	.			trans	-81.1	-176	178.2	63.8	38.2	0	0	0	113.4	Y81 T85 G86 H87 S89	Y81-D83 HydrophobicContact CE2-CB 4.42Å; D83-T85 PolarHBondContact O-N 3.29Å; D83-T85 WeakPolarHBondContact OD1-CA 3.38Å; D83-T85 WeakPolarHBondContact OD1-CB 3.44Å; D83-T85 PolarHBondContact OD1-N 3.45Å; D83-T85 PolarHBondContact OD1-OG1 3.38Å; D83-G86 PolarHBondContact O-N 3.39Å; D83-G86 PolarHBondContact OD1-N 3.34Å; D83-G86 VanDerWaalsContact OD1-N 3.08Å; D83-H87 PolarHBondContact N-O 3.45Å; D83-H87 PolarHBondContact OD1-N 3.07Å; D83-H87 WeakPolarHBondContact OD2-CB 3.3Å; D83-S89 PolarHBondContact OD2-OG 3.09Å
84	E	82.3	Confident	90.6	Very high	131 Å²	131	46.8 Å²	46.8	61%	0.612	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-15	-179.6	-63.3	-167.6	157.8	0	0	113.1	P103 K104	E84-P103 HydrophobicContact CG-CB 3.79Å; E84-P103 HydrophobicContact CG-CG 4.02Å; E84-P103 WeakPolarHBondContact OE1-CA 3.32Å; E84-K104 PolarHBondContact OE1-N 3.11Å
85	T	80.6	Confident	90.5	Very high	91 Å²	91	47.3 Å²	47.3	56%	0.558	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-4.2	175.2	55.5	0	0	0	0	114.2	D83 H87	D83-T85 PolarHBondContact O-N 3.29Å; D83-T85 WeakPolarHBondContact OD1-CA 3.38Å; D83-T85 WeakPolarHBondContact OD1-CB 3.44Å; D83-T85 PolarHBondContact OD1-N 3.45Å; D83-T85 PolarHBondContact OD1-OG1 3.38Å; T85-H87 PolarHBondContact OG1-CD2 3.13Å
86	G	79.3	Confident	90.6	Very high	49 Å²	49	46.7 Å²	46.7	51%	0.505	24%	0.236	S	C	.	.	S	Bend	trans	90.6	1.9	-178.8	0	0	0	0	0	114.7	D83	D83-G86 PolarHBondContact O-N 3.39Å; D83-G86 PolarHBondContact OD1-N 3.34Å; D83-G86 VanDerWaalsContact OD1-N 3.08Å
87	H	84	Confident	90.6	Very high	56 Å²	56	46.1 Å²	46.1	26%	0.259	23%	0.233	S	C	.	.			trans	-84.3	151.1	178.2	-65.7	-55.1	0	0	0	111.7	T82 D83 T85 S89 L320	T82-H87 WeakPolarHBondContact CA-O 3.41Å; D83-H87 PolarHBondContact N-O 3.45Å; D83-H87 PolarHBondContact OD1-N 3.07Å; D83-H87 WeakPolarHBondContact OD2-CB 3.3Å; T85-H87 PolarHBondContact OG1-CD2 3.13Å; H87-S89 PolarHBondContact O-N 2.96Å; H87-L320 HydrophobicContact CB-CD1 4.1Å
88	F	86.3	Confident	90.4	Very high	81 Å²	81	48.1 Å²	48.1	36%	0.355	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	109.4	172.7	-75.1	-73.4	0	0	0	110.6	A80 Y112 L146	A80-F88 HydrophobicContact CB-CD1 4.15Å; F88-Y112 HydrophobicContact CD1-CD2 4.49Å; F88-Y112 AromaticContact CE1-CD2 3.86Å; F88-Y112 HydrophobicContact CE1-CD2 3.86Å; F88-Y112 HydrophobicContact CE1-CE2 4.16Å; F88-Y112 HydrophobicContact CE1-CG 4.3Å; F88-L146 HydrophobicContact CE2-CD1 4.19Å
89	S	90.5	Very high	90.1	Very high	4 Å²	4	52 Å²	52	3%	0.028	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.6	172.1	-76.7	0	0	0	0	109.8	A80 Y81 D83 H87 S323	A80-S89 CarbonylContact C-O 3.6Å; A80-S89 WeakPolarHBondContact CA-O 3.29Å; Y81-S89 WeakPolarHBondContact CD1-O 3.31Å; Y81-S89 WeakPolarHBondContact CE1-O 3.5Å; Y81-S89 PolarHBondContact N-O 3.27Å; Y81-S89 PolarHBondContact O-N 3.19Å; D83-S89 PolarHBondContact OD2-OG 3.09Å; H87-S89 PolarHBondContact O-N 2.96Å; S89-S323 PolarHBondContact OG-OG 3.43Å
90	W	93.6	Very high	89.8	Confident	35 Å²	35	52.6 Å²	52.6	13%	0.133	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	143.2	-171.6	-66	82.4	0	0	0	111.7	A80 C114 V115 R116 H235 M327	A80-W90 HydrophobicContact CB-CD2 3.97Å; A80-W90 HydrophobicContact CB-CE3 3.91Å; A80-W90 HydrophobicContact CB-CH2 4.43Å; A80-W90 HydrophobicContact CB-CZ2 4.45Å; A80-W90 HydrophobicContact CB-CZ3 4.15Å; W90-C114 HydrophobicContact CH2-CB 3.96Å; W90-C114 HydrophobicContact CZ3-CB 4.46Å; W90-V115 WeakPolarHBondContact CH2-O 3.4Å; W90-R116 HydrophobicContact CD2-CG 4.21Å; W90-R116 HydrophobicContact CE3-CB 4.08Å; W90-R116 HydrophobicContact CE3-CG 3.96Å; W90-R116 HydrophobicContact CH2-CB 3.81Å; W90-R116 HydrophobicContact CH2-CG 4.28Å; W90-R116 HydrophobicContact CZ2-CB 4.46Å; W90-R116 HydrophobicContact CZ3-CB 3.61Å; W90-R116 HydrophobicContact CZ3-CG 4Å; W90-H235 AromaticContact CZ2-CE1 3.67Å; W90-M327 VanDerWaalsContact CD1-CE 3.42Å; W90-M327 HydrophobicContact CD2-CE 4.22Å; W90-M327 HydrophobicContact CG-CE 4.02Å; W90-M327 HydrophobicContact CZ2-CE 4.49Å
91	L	94.5	Very high	89.4	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.01	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-68.8	136.5	172.4	-59	-174.1	0	0	0	110.9	L61 I79 Y81 V97 H100 F102 R116	L61-L91 HydrophobicContact CD2-CD1 4.27Å; I79-L91 HydrophobicContact CB-CD1 3.97Å; I79-L91 HydrophobicContact CB-CG 4.37Å; I79-L91 HydrophobicContact CG2-CD1 3.66Å; I79-L91 HydrophobicContact CG2-CG 4.2Å; I79-L91 PolarHBondContact O-N 3.09Å; Y81-L91 HydrophobicContact CD1-CD2 3.76Å; Y81-L91 HydrophobicContact CE1-CD2 3.89Å; L91-V97 HydrophobicContact CD1-CG1 4.2Å; L91-H100 HydrophobicContact CD2-CB 4.05Å; L91-F102 HydrophobicContact CD2-CE1 4.04Å; L91-F102 HydrophobicContact CD2-CZ 4Å; L91-R116 PolarHBondContact O-NH1 3.41Å
92	Q	92.1	Very high	89.2	Confident	64 Å²	64	59.5 Å²	59.5	30%	0.299	30%	0.297	S	S	.	.			trans	-86.8	114.4	175.8	-66.4	175.9	-24.4	0	0	108	S58 D94 R95 H100	S58-Q92 VanDerWaalsContact CB-O 3.28Å; S58-Q92 WeakPolarHBondContact CB-O 3.39Å; S58-Q92 PolarHBondContact OG-O 2.93Å; Q92-D94 PolarHBondContact O-N 3.24Å; Q92-R95 HydrophobicContact CB-CB 4.24Å; Q92-R95 HydrophobicContact CB-CG 4.22Å; Q92-R95 PolarHBondContact O-N 3.08Å; Q92-H100 PolarHBondContact N-NE2 3.1Å
93	L	91.9	Very high	88.9	Confident	65 Å²	65	58.5 Å²	58.5	34%	0.34	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-28.2	-167.7	-61.2	-175.4	0	0	0	113.3	K59 L62	K59-L93 HydrophobicContact CB-CB 4.16Å; K59-L93 WeakPolarHBondContact CB-O 3.45Å; K59-L93 WeakPolarHBondContact CG-O 3.27Å; K59-L93 PolarHBondContact N-O 3.38Å; L62-L93 HydrophobicContact CB-CD2 4.42Å; L62-L93 HydrophobicContact CD2-CD1 4.24Å; L62-L93 HydrophobicContact CD2-CD2 3.87Å
94	D	90.8	Very high	88.8	Confident	123 Å²	123	66.9 Å²	66.9	66%	0.658	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.2	175.7	54.1	-30.1	0	0	0	114.4	M57 Q92	M57-D94 WeakPolarHBondContact CE-O 3.49Å; Q92-D94 PolarHBondContact O-N 3.24Å
95	R	93	Very high	88.6	Confident	85 Å²	85	67.8 Å²	67.8	32%	0.321	33%	0.329	S	S	.	.	S	Bend	trans	-115.6	161.4	176.8	-66.7	-178.2	68.5	-159.7	-2.4	112.6	S58 Q92 E99	S58-R95 WeakPolarHBondContact CB-O 3.32Å; S58-R95 PolarHBondContact N-O 2.87Å; S58-R95 PolarHBondContact OG-O 2.89Å; Q92-R95 HydrophobicContact CB-CB 4.24Å; Q92-R95 HydrophobicContact CB-CG 4.22Å; Q92-R95 PolarHBondContact O-N 3.08Å; R95-E99 PolarHBondContact NH2-O 3.46Å
96	R	95.1	Very high	88.4	Confident	98 Å²	98	69.9 Å²	69.9	37%	0.37	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-74	149.1	176.5	-53.9	-176.5	-169.2	173.6	12.1	111.2	P54 L56 M57 L98 E99 H100	P54-R96 WeakPolarHBondContact O-CD 3.48Å; P54-R96 PolarHBondContact O-NH1 3.24Å; L56-R96 VanDerWaalsContact O-CA 3.27Å; L56-R96 WeakPolarHBondContact O-CA 3.5Å; L56-R96 WeakPolarHBondContact O-CB 3.29Å; M57-R96 HydrophobicContact SD-CG 3.68Å; R96-L98 VanDerWaalsContact C-N 3.33Å; R96-L98 PolarHBondContact O-N 3Å; R96-E99 HydrophobicContact CB-CB 4.39Å; R96-E99 VanDerWaalsContact CB-CD 3.47Å; R96-E99 HydrophobicContact CB-CG 3.86Å; R96-E99 WeakPolarHBondContact CD-OE1 2.95Å; R96-E99 HydrophobicContact CG-CG 4.41Å; R96-E99 VanDerWaalsContact CG-OE1 3.31Å; R96-E99 WeakPolarHBondContact CG-OE1 3.49Å; R96-E99 IonicContact CZ-OE1 2.72Å; R96-E99 PolarHBondContact N-OE2 3.03Å; R96-E99 IonicContact NE-OE1 2.85Å; R96-E99 PolarHBondContact NE-OE1 3.42Å; R96-E99 PolarHBondContact O-N 2.93Å; R96-E99 VanDerWaalsContact O-N 3.13Å; R96-H100 PolarHBondContact O-CE1 3.41Å; R96-H100 PolarHBondContact O-ND1 3.45Å
97	V	94.5	Very high	88.7	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-56.6	-49.6	-179.5	-178.3	0	0	0	0	110.1	V52 L56 L61 L91 E99 H100 F102 L111	V52-V97 HydrophobicContact CG1-CB 3.81Å; V52-V97 HydrophobicContact CG1-CG1 3.9Å; V52-V97 HydrophobicContact CG1-CG2 4.41Å; L56-V97 HydrophobicContact CD2-CG2 4.26Å; L56-V97 HydrophobicContact CG-CG2 4.32Å; L56-V97 PolarHBondContact O-N 3.32Å; L61-V97 HydrophobicContact CB-CG2 4.02Å; L61-V97 HydrophobicContact CD2-CG1 4.12Å; L61-V97 HydrophobicContact CD2-CG2 3.78Å; L91-V97 HydrophobicContact CD1-CG1 4.2Å; V97-E99 PolarHBondContact O-N 3.11Å; V97-H100 PolarHBondContact O-N 3.43Å; V97-H100 PolarHBondContact O-ND1 3.21Å; V97-F102 HydrophobicContact CG1-CE2 4.41Å; V97-F102 HydrophobicContact CG1-CZ 4.01Å; V97-F102 WeakPolarHBondContact O-CE2 3.46Å; V97-F102 VanDerWaalsContact O-CZ 3.3Å; V97-F102 WeakPolarHBondContact O-CZ 3.39Å; V97-L111 HydrophobicContact CG1-CD1 4.49Å
98	L	93.3	Very high	89	Confident	45 Å²	45	69.6 Å²	69.6	24%	0.236	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-76.7	2.8	-177.9	-54.8	-168.7	0	0	0	115.8	R36 V52 P54 R96 H100 F102 I109	R36-L98 HydrophobicContact CB-CD1 4.19Å; R36-L98 HydrophobicContact CB-CD2 4.04Å; R36-L98 HydrophobicContact CG-CD1 4.05Å; R36-L98 HydrophobicContact CG-CD2 4.4Å; V52-L98 HydrophobicContact CB-CD2 4.33Å; V52-L98 HydrophobicContact CG1-CD1 4.43Å; V52-L98 HydrophobicContact CG1-CD2 3.76Å; V52-L98 HydrophobicContact CG1-CG 3.86Å; P54-L98 HydrophobicContact CB-CD1 4.5Å; P54-L98 HydrophobicContact CG-CD1 4.24Å; R96-L98 VanDerWaalsContact C-N 3.33Å; R96-L98 PolarHBondContact O-N 3Å; L98-H100 VanDerWaalsContact C-N 3.34Å; L98-F102 HydrophobicContact CD2-CE2 4.3Å; L98-I109 HydrophobicContact CD2-CD1 3.94Å
99	E	91.4	Very high	89.3	Confident	83 Å²	83	66.3 Å²	66.3	39%	0.388	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-87.6	-4.2	170.6	-70.5	164.4	179.6	0	0	112.6	R95 R96 V97	R95-E99 PolarHBondContact NH2-O 3.46Å; R96-E99 HydrophobicContact CB-CB 4.39Å; R96-E99 VanDerWaalsContact CB-CD 3.47Å; R96-E99 HydrophobicContact CB-CG 3.86Å; R96-E99 WeakPolarHBondContact CD-OE1 2.95Å; R96-E99 HydrophobicContact CG-CG 4.41Å; R96-E99 VanDerWaalsContact CG-OE1 3.31Å; R96-E99 WeakPolarHBondContact CG-OE1 3.49Å; R96-E99 IonicContact CZ-OE1 2.72Å; R96-E99 PolarHBondContact N-OE2 3.03Å; R96-E99 IonicContact NE-OE1 2.85Å; R96-E99 PolarHBondContact NE-OE1 3.42Å; R96-E99 PolarHBondContact O-N 2.93Å; R96-E99 VanDerWaalsContact O-N 3.13Å; V97-E99 PolarHBondContact O-N 3.11Å
100	H	90.8	Very high	89.5	Confident	15 Å²	15	68.7 Å²	68.7	7%	0.069	35%	0.35	C	S	.	.	S	Bend	trans	-86.1	147.7	178.5	-65.7	78.3	0	0	0	112	S58 Y81 L91 Q92 R96 V97 L98 F102	S58-H100 PolarHBondContact OG-CE1 3.41Å; Y81-H100 HydrophobicContact CE1-CB 4.27Å; L91-H100 HydrophobicContact CD2-CB 4.05Å; Q92-H100 PolarHBondContact N-NE2 3.1Å; R96-H100 PolarHBondContact O-CE1 3.41Å; R96-H100 PolarHBondContact O-ND1 3.45Å; V97-H100 PolarHBondContact O-N 3.43Å; V97-H100 PolarHBondContact O-ND1 3.21Å; L98-H100 VanDerWaalsContact C-N 3.34Å; H100-F102 VanDerWaalsContact C-N 3.26Å; H100-F102 HydrophobicContact CB-CE1 4.23Å; H100-F102 HydrophobicContact CB-CE2 4.11Å; H100-F102 HydrophobicContact CB-CZ 3.89Å; H100-F102 WeakPolarHBondContact O-CD2 3.43Å; H100-F102 PolarHBondContact O-N 3.04Å
101	E	87.3	Confident	89.7	Confident	149 Å²	149	67 Å²	67	70%	0.696	34%	0.344	S	S	*	.			trans	-78.8	68.8	-176.2	-67	-178.6	-160.5	0	0	111.9
102	F	88.9	Confident	89.7	Confident	17 Å²	17	69.5 Å²	69.5	8%	0.075	35%	0.354	C	S	.	.			trans	-66.7	143.6	175.4	-58.7	-63.4	0	0	0	112.2	Y81 L91 V97 L98 H100 I109 L111	Y81-F102 HydrophobicContact CD1-CD1 4.18Å; Y81-F102 AromaticContact CD1-CE1 3.8Å; Y81-F102 HydrophobicContact CD1-CE1 3.8Å; Y81-F102 AromaticContact CD2-CD1 3.73Å; Y81-F102 HydrophobicContact CD2-CD1 3.73Å; Y81-F102 HydrophobicContact CD2-CE1 4.2Å; Y81-F102 HydrophobicContact CE1-CE1 4.27Å; Y81-F102 HydrophobicContact CE2-CD1 4.12Å; Y81-F102 AromaticContact CG-CD1 3.76Å; Y81-F102 HydrophobicContact CG-CD1 3.76Å; Y81-F102 AromaticContact CG-CE1 3.77Å; Y81-F102 HydrophobicContact CG-CE1 3.77Å; L91-F102 HydrophobicContact CD2-CE1 4.04Å; L91-F102 HydrophobicContact CD2-CZ 4Å; V97-F102 HydrophobicContact CG1-CE2 4.41Å; V97-F102 HydrophobicContact CG1-CZ 4.01Å; V97-F102 WeakPolarHBondContact O-CE2 3.46Å; V97-F102 VanDerWaalsContact O-CZ 3.3Å; V97-F102 WeakPolarHBondContact O-CZ 3.39Å; L98-F102 HydrophobicContact CD2-CE2 4.3Å; H100-F102 VanDerWaalsContact C-N 3.26Å; H100-F102 HydrophobicContact CB-CE1 4.23Å; H100-F102 HydrophobicContact CB-CE2 4.11Å; H100-F102 HydrophobicContact CB-CZ 3.89Å; H100-F102 WeakPolarHBondContact O-CD2 3.43Å; H100-F102 PolarHBondContact O-N 3.04Å; F102-I109 HydrophobicContact CB-CG1 4.48Å; F102-I109 HydrophobicContact CB-CG2 4.37Å; F102-I109 HydrophobicContact CD1-CG2 3.49Å; F102-I109 VanDerWaalsContact CD1-CG2 3.49Å; F102-I109 HydrophobicContact CD2-CD1 3.64Å; F102-I109 HydrophobicContact CD2-CG1 4.28Å; F102-I109 HydrophobicContact CD2-CG2 4.16Å; F102-I109 HydrophobicContact CE1-CG2 3.69Å; F102-I109 HydrophobicContact CE2-CD1 3.91Å; F102-I109 HydrophobicContact CE2-CG2 4.3Å; F102-I109 HydrophobicContact CG-CD1 4.16Å; F102-I109 HydrophobicContact CG-CG1 4.31Å; F102-I109 HydrophobicContact CG-CG2 3.75Å; F102-I109 HydrophobicContact CZ-CG2 4.09Å; F102-L111 HydrophobicContact CE1-CD2 3.73Å; F102-L111 HydrophobicContact CZ-CD2 4.24Å
103	P	83.9	Confident	90	Very high	20 Å²	20	66.6 Å²	66.6	13%	0.13	34%	0.34	C	S	.	.			trans	-50.1	141.8	174.1	-30.5	36.4	0	0	0	113.8	T82 E84 K105	T82-P103 WeakPolarHBondContact O-CG 3.43Å; E84-P103 HydrophobicContact CG-CB 3.79Å; E84-P103 HydrophobicContact CG-CG 4.02Å; E84-P103 WeakPolarHBondContact OE1-CA 3.32Å; P103-K105 HydrophobicContact CB-CD 4.12Å; P103-K105 HydrophobicContact CB-CG 4.05Å; P103-K105 PolarHBondContact O-N 3.35Å
104	K	80.4	Confident	90.2	Very high	191 Å²	191	65 Å²	65	83%	0.83	33%	0.334	S	S	*	.			trans	-77.1	37.2	-179.3	-65	165.9	-172.7	155.7	0	113.7	E84	E84-K104 PolarHBondContact OE1-N 3.11Å
105	K	78.3	Confident	90.4	Very high	151 Å²	151	59.1 Å²	59.1	66%	0.657	30%	0.302	S	S	*	.			trans	-78	145.7	178.2	-65.4	175.7	-178.9	173	0	110.4	P103	P103-K105 HydrophobicContact CB-CD 4.12Å; P103-K105 HydrophobicContact CB-CG 4.05Å; P103-K105 PolarHBondContact O-N 3.35Å
106	S	76.2	Confident	90.6	Very high	135 Å²	135	56 Å²	56	94%	0.944	29%	0.291	S	S	*	.	S	Bend	trans	-78.8	125.8	170.7	-171.5	0	0	0	0	109.8
107	G	85.4	Confident	90.6	Very high	45 Å²	45	52.5 Å²	52.5	46%	0.464	28%	0.278	S	S	.	.	S	Bend	trans	139	-173.1	-176.6	0	0	0	0	0	113.1
108	P	91	Very high	90.6	Very high	54 Å²	54	53.4 Å²	53.4	35%	0.351	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-69.8	151.2	167.3	31.7	-34.2	0	0	0	110.9	R37 V110	R37-P108 HydrophobicContact CB-CB 4.1Å; R37-P108 CarbonylContact O-C 3.51Å; R37-P108 WeakPolarHBondContact O-CA 3.29Å; P108-V110 PolarHBondContact O-N 3.03Å
109	I	93.4	Very high	90.6	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.062	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	119	170.7	-61.4	160.1	0	0	0	108.1	R36 R37 C38 Q39 L98 F102 L111	R36-I109 HydrophobicContact CB-CD1 3.95Å; R37-I109 PolarHBondContact O-N 2.95Å; C38-I109 CarbonylContact C-O 3.57Å; C38-I109 WeakPolarHBondContact CA-O 3.37Å; C38-I109 HydrophobicContact CB-CB 4.41Å; Q39-I109 PolarHBondContact N-O 2.84Å; L98-I109 HydrophobicContact CD2-CD1 3.94Å; F102-I109 HydrophobicContact CB-CG1 4.48Å; F102-I109 HydrophobicContact CB-CG2 4.37Å; F102-I109 HydrophobicContact CD1-CG2 3.49Å; F102-I109 VanDerWaalsContact CD1-CG2 3.49Å; F102-I109 HydrophobicContact CD2-CD1 3.64Å; F102-I109 HydrophobicContact CD2-CG1 4.28Å; F102-I109 HydrophobicContact CD2-CG2 4.16Å; F102-I109 HydrophobicContact CE1-CG2 3.69Å; F102-I109 HydrophobicContact CE2-CD1 3.91Å; F102-I109 HydrophobicContact CE2-CG2 4.3Å; F102-I109 HydrophobicContact CG-CD1 4.16Å; F102-I109 HydrophobicContact CG-CG1 4.31Å; F102-I109 HydrophobicContact CG-CG2 3.75Å; F102-I109 HydrophobicContact CZ-CG2 4.09Å; I109-L111 HydrophobicContact CG2-CD2 3.82Å; I109-L111 HydrophobicContact CG2-CG 4.16Å
110	V	94.6	Very high	90.6	Very high	53 Å²	53	52.4 Å²	52.4	32%	0.321	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	125.8	175.5	-176.2	0	0	0	0	109.4	P108 Y112	P108-V110 PolarHBondContact O-N 3.03Å; V110-Y112 HydrophobicContact CG1-CE1 4.14Å; V110-Y112 HydrophobicContact CG1-CE2 3.83Å; V110-Y112 WeakPolarHBondContact CG1-OH 3.32Å
111	L	96.3	Very high	90.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	151.1	178	-60.1	179.1	0	0	0	108.9	C38 Q39 V40 H41 L61 I79 A80 V97 F102 I109	C38-L111 HydrophobicContact CB-CD1 4.2Å; Q39-L111 PolarHBondContact O-N 3.49Å; V40-L111 CarbonylContact C-O 3.58Å; V40-L111 WeakPolarHBondContact CA-O 3.47Å; V40-L111 HydrophobicContact CG1-CB 4.35Å; V40-L111 HydrophobicContact CG2-CB 4.27Å; V40-L111 HydrophobicContact CG2-CD1 4.31Å; H41-L111 PolarHBondContact N-O 2.98Å; L61-L111 HydrophobicContact CD2-CD1 3.76Å; I79-L111 HydrophobicContact CG2-CB 3.84Å; I79-L111 HydrophobicContact CG2-CD1 4.23Å; I79-L111 HydrophobicContact CG2-CD2 4.36Å; I79-L111 HydrophobicContact CG2-CG 4.37Å; A80-L111 CarbonylContact O-C 3.24Å; A80-L111 WeakPolarHBondContact O-CA 3.47Å; V97-L111 HydrophobicContact CG1-CD1 4.49Å; F102-L111 HydrophobicContact CE1-CD2 3.73Å; F102-L111 HydrophobicContact CZ-CD2 4.24Å; I109-L111 HydrophobicContact CG2-CD2 3.82Å; I109-L111 HydrophobicContact CG2-CG 4.16Å
112	Y	95.9	Very high	91.1	Very high	55 Å²	55	45.5 Å²	45.5	22%	0.216	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.7	-179.4	-59.6	-83.2	0	0	0	109.7	H41 I79 A80 F88 V110	H41-Y112 HydrophobicContact CB-CD1 3.74Å; H41-Y112 HydrophobicContact CB-CE1 4.09Å; H41-Y112 AromaticContact CG-CE1 3.96Å; H41-Y112 AromaticContact ND1-CE1 3.97Å; I79-Y112 CarbonylContact C-O 3.5Å; I79-Y112 VanDerWaalsContact CA-O 3.31Å; I79-Y112 WeakPolarHBondContact CA-O 3.49Å; A80-Y112 PolarHBondContact N-O 3.01Å; A80-Y112 PolarHBondContact O-N 3.13Å; F88-Y112 HydrophobicContact CD1-CD2 4.49Å; F88-Y112 AromaticContact CE1-CD2 3.86Å; F88-Y112 HydrophobicContact CE1-CD2 3.86Å; F88-Y112 HydrophobicContact CE1-CE2 4.16Å; F88-Y112 HydrophobicContact CE1-CG 4.3Å; V110-Y112 HydrophobicContact CG1-CE1 4.14Å; V110-Y112 HydrophobicContact CG1-CE2 3.83Å; V110-Y112 WeakPolarHBondContact CG1-OH 3.32Å
113	F	97.3	Very high	91.4	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.009	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	119.6	169.2	176.5	-110.8	0	0	0	108.8	V40 H41 L42 L43 L62 V65 F69 L71 F77 I79 L133	V40-F113 HydrophobicContact CG1-CB 4.3Å; H41-F113 PolarHBondContact O-N 2.97Å; L42-F113 HydrophobicContact CD2-CB 4.18Å; L43-F113 HydrophobicContact CD1-CD1 4.02Å; L43-F113 HydrophobicContact CD1-CE1 4Å; L43-F113 WeakPolarHBondContact CD2-O 3.45Å; L43-F113 HydrophobicContact CG-CD1 4.04Å; L43-F113 HydrophobicContact CG-CE1 4.48Å; L43-F113 WeakPolarHBondContact CG-O 3.45Å; L62-F113 HydrophobicContact CD1-CD2 4.15Å; L62-F113 HydrophobicContact CD1-CE2 3.78Å; V65-F113 HydrophobicContact CB-CD2 4.42Å; V65-F113 HydrophobicContact CG1-CB 3.87Å; V65-F113 HydrophobicContact CG1-CD1 4.01Å; V65-F113 HydrophobicContact CG1-CD2 3.5Å; V65-F113 HydrophobicContact CG1-CE1 4.43Å; V65-F113 HydrophobicContact CG1-CE2 3.97Å; V65-F113 HydrophobicContact CG1-CG 3.52Å; V65-F113 HydrophobicContact CG1-CZ 4.41Å; F69-F113 HydrophobicContact CD2-CD1 4.49Å; F69-F113 AromaticContact CD2-CE1 3.93Å; F69-F113 HydrophobicContact CD2-CE1 3.93Å; F69-F113 AromaticContact CE2-CD1 3.98Å; F69-F113 HydrophobicContact CE2-CD1 3.98Å; F69-F113 AromaticContact CE2-CE1 3.84Å; F69-F113 HydrophobicContact CE2-CE1 3.84Å; L71-F113 HydrophobicContact CD2-CZ 4.05Å; F77-F113 HydrophobicContact CB-CD2 4.42Å; F77-F113 HydrophobicContact CB-CE2 3.55Å; F77-F113 HydrophobicContact CB-CZ 3.81Å; F77-F113 HydrophobicContact CD1-CE1 4.03Å; F77-F113 HydrophobicContact CD1-CE2 4.2Å; F77-F113 AromaticContact CD1-CZ 3.67Å; F77-F113 HydrophobicContact CD1-CZ 3.67Å; F77-F113 HydrophobicContact CD2-CZ 4.45Å; F77-F113 HydrophobicContact CE1-CZ 4.4Å; F77-F113 HydrophobicContact CG-CE2 4.01Å; F77-F113 AromaticContact CG-CZ 3.7Å; F77-F113 HydrophobicContact CG-CZ 3.7Å; I79-F113 HydrophobicContact CG1-CD2 4.43Å; F113-L133 HydrophobicContact CE1-CD1 4.29Å; F113-L133 HydrophobicContact CE1-CD2 4.49Å
114	C	95.8	Very high	91.8	Very high	31 Å²	31	49.1 Å²	49.1	21%	0.209	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	162.1	-172.6	-59.7	0	0	0	0	111.9	F77 G78 W90 R116	F77-C114 WeakPolarHBondContact CA-O 3.23Å; G78-C114 PolarHBondContact N-O 3.26Å; G78-C114 PolarHBondContact O-N 2.59Å; G78-C114 VanDerWaalsContact O-N 3.08Å; W90-C114 HydrophobicContact CH2-CB 3.96Å; W90-C114 HydrophobicContact CZ3-CB 4.46Å; C114-R116 PolarHBondContact O-N 2.97Å
115	V	96.6	Very high	92.4	Very high	1 Å²	1	40 Å²	40	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	122.9	168	176.3	0	0	0	0	108.9	F77 W90 Y118 F134 N137	F77-V115 HydrophobicContact CD1-CG2 4.01Å; F77-V115 HydrophobicContact CE1-CG2 3.59Å; F77-V115 HydrophobicContact CZ-CG2 4.31Å; W90-V115 WeakPolarHBondContact CH2-O 3.4Å; V115-Y118 HydrophobicContact CB-CE1 4.08Å; V115-Y118 HydrophobicContact CB-CE2 4.34Å; V115-Y118 HydrophobicContact CG1-CD1 3.81Å; V115-Y118 HydrophobicContact CG1-CD2 4Å; V115-Y118 HydrophobicContact CG1-CE1 3.74Å; V115-Y118 HydrophobicContact CG1-CE2 3.92Å; V115-Y118 HydrophobicContact CG1-CG 3.93Å; V115-Y118 WeakPolarHBondContact O-CE2 3.46Å; V115-F134 HydrophobicContact CG1-CD1 4.43Å; V115-F134 HydrophobicContact CG1-CE1 3.75Å; V115-F134 HydrophobicContact CG1-CE2 4.18Å; V115-F134 HydrophobicContact CG1-CZ 3.61Å; V115-F134 HydrophobicContact CG2-CD1 4.31Å; V115-F134 HydrophobicContact CG2-CD2 3.93Å; V115-F134 HydrophobicContact CG2-CE1 4.34Å; V115-F134 HydrophobicContact CG2-CE2 3.97Å; V115-F134 HydrophobicContact CG2-CG 4.12Å; V115-F134 HydrophobicContact CG2-CZ 4.19Å; V115-N137 HydrophobicContact CB-CB 4.42Å; V115-N137 HydrophobicContact CG2-CB 3.72Å; V115-N137 PolarHBondContact N-OD1 3.15Å
116	R	95.6	Very high	93	Very high	20 Å²	20	38 Å²	38	8%	0.075	21%	0.211	C	C	.	.			trans	-98.7	-45.5	178.6	-179.1	174	169.7	159.3	-2.3	110.7	Y76 W90 L91 C114 H235 M327 S330	Y76-R116 PolarHBondContact O-N 2.72Å; W90-R116 HydrophobicContact CD2-CG 4.21Å; W90-R116 HydrophobicContact CE3-CB 4.08Å; W90-R116 HydrophobicContact CE3-CG 3.96Å; W90-R116 HydrophobicContact CH2-CB 3.81Å; W90-R116 HydrophobicContact CH2-CG 4.28Å; W90-R116 HydrophobicContact CZ2-CB 4.46Å; W90-R116 HydrophobicContact CZ3-CB 3.61Å; W90-R116 HydrophobicContact CZ3-CG 4Å; L91-R116 PolarHBondContact O-NH1 3.41Å; C114-R116 PolarHBondContact O-N 2.97Å; R116-H235 PolarHBondContact O-NE2 3.31Å; R116-M327 HydrophobicContact CG-CE 4.3Å; R116-S330 PolarHBondContact NH2-OG 3.06Å
117	F	96	Very high	93.8	Very high	24 Å²	24	32.6 Å²	32.6	11%	0.105	17%	0.172	C	C	.	.	S	Bend	trans	-112.8	95.6	-175.4	-56.6	-81.8	0	0	0	109.8	E75 Y76 S330 F334	E75-F117 WeakPolarHBondContact O-CD2 3.4Å; Y76-F117 PolarHBondContact O-N 3.14Å; F117-S330 WeakPolarHBondContact CE1-O 3.29Å; F117-F334 HydrophobicContact CB-CD1 3.98Å; F117-F334 HydrophobicContact CB-CD2 3.79Å; F117-F334 HydrophobicContact CB-CE1 3.78Å; F117-F334 HydrophobicContact CB-CE2 3.59Å; F117-F334 HydrophobicContact CB-CG 3.97Å; F117-F334 HydrophobicContact CB-CZ 3.57Å; F117-F334 HydrophobicContact CD1-CB 3.63Å; F117-F334 HydrophobicContact CD1-CD1 4.02Å; F117-F334 HydrophobicContact CD1-CD2 4.05Å; F117-F334 AromaticContact CD1-CG 3.66Å; F117-F334 HydrophobicContact CD1-CG 3.66Å; F117-F334 HydrophobicContact CE1-CB 3.84Å; F117-F334 HydrophobicContact CE1-CG 4.35Å; F117-F334 HydrophobicContact CG-CB 4.35Å; F117-F334 HydrophobicContact CG-CD1 4.36Å; F117-F334 AromaticContact CG-CD2 3.9Å; F117-F334 HydrophobicContact CG-CD2 3.9Å; F117-F334 HydrophobicContact CG-CE2 4.2Å; F117-F334 AromaticContact CG-CG 3.98Å; F117-F334 HydrophobicContact CG-CG 3.98Å
118	Y	95.3	Very high	94.2	Very high	19 Å²	19	31.6 Å²	31.6	8%	0.075	16%	0.156	C	C	.	.			trans	-71.5	155.5	175.9	-66.2	-96	0	0	0	111.1	V115 N137 I141 Y232 H235 Y253	V115-Y118 HydrophobicContact CB-CE1 4.08Å; V115-Y118 HydrophobicContact CB-CE2 4.34Å; V115-Y118 HydrophobicContact CG1-CD1 3.81Å; V115-Y118 HydrophobicContact CG1-CD2 4Å; V115-Y118 HydrophobicContact CG1-CE1 3.74Å; V115-Y118 HydrophobicContact CG1-CE2 3.92Å; V115-Y118 HydrophobicContact CG1-CG 3.93Å; V115-Y118 WeakPolarHBondContact O-CE2 3.46Å; Y118-N137 PolarHBondContact OH-ND2 3.02Å; Y118-I141 HydrophobicContact CE1-CD1 4.47Å; Y118-Y232 HydrophobicContact CD1-CD2 4.37Å; Y118-Y232 AromaticContact CD1-CE2 3.69Å; Y118-Y232 HydrophobicContact CD1-CE2 3.69Å; Y118-Y232 AromaticContact CD1-CZ 3.81Å; Y118-Y232 AromaticContact CE1-CE2 3.93Å; Y118-Y232 HydrophobicContact CE1-CE2 3.93Å; Y118-H235 AromaticContact CD2-NE2 3.91Å; Y118-H235 AromaticContact CE2-NE2 3.82Å; Y118-Y253 WeakPolarHBondContact O-CB 3.4Å; Y118-Y253 WeakPolarHBondContact O-CD1 3.4Å
119	I	92.5	Very high	94.4	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	15%	0.149	C	C	.	.			trans	-122.5	168.8	179.7	58.2	-176	0	0	0	109.7	Y76 S121 L125 F134 F334	Y76-I119 HydrophobicContact CD1-CG2 3.98Å; Y76-I119 HydrophobicContact CE1-CG2 3.5Å; I119-S121 WeakPolarHBondContact CD1-O 3.47Å; I119-L125 HydrophobicContact CD1-CD1 4Å; I119-L125 HydrophobicContact CD1-CD2 3.49Å; I119-L125 VanDerWaalsContact CD1-CD2 3.49Å; I119-L125 HydrophobicContact CD1-CG 3.5Å; I119-L125 VanDerWaalsContact CD1-CG 3.5Å; I119-F134 HydrophobicContact CD1-CE1 4.27Å; I119-F134 HydrophobicContact CD1-CZ 4.34Å; I119-F134 HydrophobicContact CG1-CE1 3.96Å; I119-F134 HydrophobicContact CG1-CZ 4.33Å; I119-F334 HydrophobicContact CG2-CZ 4.01Å
120	E	90.9	Very high	94.5	Very high	104 Å²	104	29.6 Å²	29.6	49%	0.486	15%	0.146	S	C	.	.	S	Bend	trans	-76.1	-27.6	-179.7	-167.7	145.4	-123.3	0	0	113.4	Y124 Y253 K254	E120-Y124 HydrophobicContact CB-CE2 4.39Å; E120-Y253 WeakPolarHBondContact CA-OH 3.33Å; E120-Y253 HydrophobicContact CB-CE2 3.72Å; E120-Y253 HydrophobicContact CG-CE2 4.19Å; E120-K254 WeakPolarHBondContact OE1-CE 3.37Å; E120-K254 IonicContact OE1-NZ 3.24Å; E120-K254 PolarHBondContact OE1-NZ 2.85Å
121	S	93.9	Very high	94.6	Very high	19 Å²	19	27.1 Å²	27.1	13%	0.133	13%	0.131	C	C	.	.			trans	-159.4	147.8	167.2	-179.4	0	0	0	0	113.4	I119 S123 Y124 E227	I119-S121 WeakPolarHBondContact CD1-O 3.47Å; S121-S123 VanDerWaalsContact CB-OG 3.29Å; S121-S123 WeakPolarHBondContact CB-OG 3.3Å; S121-S123 PolarHBondContact O-N 3.43Å; S121-S123 VanDerWaalsContact O-N 3.12Å; S121-S123 PolarHBondContact OG-N 3.04Å; S121-S123 PolarHBondContact OG-OG 3.42Å; S121-Y124 WeakPolarHBondContact O-CD2 3.32Å; S121-Y124 PolarHBondContact O-N 2.89Å; S121-Y124 VanDerWaalsContact O-N 3.07Å; S121-E227 VanDerWaalsContact CA-CD 3.46Å; S121-E227 VanDerWaalsContact CA-OE1 3.31Å; S121-E227 WeakPolarHBondContact CA-OE1 3.4Å; S121-E227 WeakPolarHBondContact CA-OE2 3.42Å; S121-E227 VanDerWaalsContact CB-OE2 3.28Å; S121-E227 WeakPolarHBondContact CB-OE2 3.41Å; S121-E227 PolarHBondContact OG-OE2 3.45Å
122	I	95.6	Very high	94.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-53.5	-22.1	169.5	52.2	161.8	0	0	0	113.6	Y124 L125 I131 F134 V220 M223 E227 L351	I122-Y124 PolarHBondContact O-N 2.98Å; I122-Y124 VanDerWaalsContact O-N 3.07Å; I122-L125 HydrophobicContact CB-CD1 4.28Å; I122-L125 HydrophobicContact CG2-CD1 4.03Å; I122-L125 VanDerWaalsContact O-CB 3.32Å; I122-L125 WeakPolarHBondContact O-CB 3.31Å; I122-L125 PolarHBondContact O-N 2.68Å; I122-I131 HydrophobicContact CB-CG2 4.16Å; I122-I131 HydrophobicContact CD1-CG2 3.96Å; I122-I131 HydrophobicContact CG2-CG2 4.15Å; I122-F134 HydrophobicContact CG2-CB 4.26Å; I122-V220 HydrophobicContact CD1-CG2 4.3Å; I122-M223 HydrophobicContact CD1-CB 3.73Å; I122-M223 HydrophobicContact CD1-CG 4.18Å; I122-M223 HydrophobicContact CG1-CB 4.26Å; I122-M223 HydrophobicContact CG2-CB 4.45Å; I122-M223 HydrophobicContact CG2-CE 3.84Å; I122-M223 HydrophobicContact CG2-CG 4.29Å; I122-E227 WeakPolarHBondContact CG2-OE1 3.33Å; I122-E227 PolarHBondContact N-OE1 3.34Å; I122-L351 HydrophobicContact CD1-CD2 4.49Å; I122-L351 HydrophobicContact CG1-CD2 4.35Å
123	S	94.9	Very high	94.6	Very high	18 Å²	18	26.3 Å²	26.3	13%	0.126	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-58.9	-16.4	172.6	55.5	0	0	0	0	114.3	S121 A348 R349	S121-S123 VanDerWaalsContact CB-OG 3.29Å; S121-S123 WeakPolarHBondContact CB-OG 3.3Å; S121-S123 PolarHBondContact O-N 3.43Å; S121-S123 VanDerWaalsContact O-N 3.12Å; S121-S123 PolarHBondContact OG-N 3.04Å; S121-S123 PolarHBondContact OG-OG 3.42Å; S123-A348 CarbonylContact O-C 3.59Å; S123-A348 VanDerWaalsContact O-CA 3.27Å; S123-A348 WeakPolarHBondContact O-CA 3.32Å; S123-R349 WeakPolarHBondContact CB-O 3.49Å; S123-R349 PolarHBondContact O-N 3.24Å
124	Y	92.6	Very high	94.7	Very high	95 Å²	95	26.3 Å²	26.3	37%	0.373	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-90.9	0.2	172.4	-61.6	-63	0	0	0	114.9	E120 S121 I122 A348	E120-Y124 HydrophobicContact CB-CE2 4.39Å; S121-Y124 WeakPolarHBondContact O-CD2 3.32Å; S121-Y124 PolarHBondContact O-N 2.89Å; S121-Y124 VanDerWaalsContact O-N 3.07Å; I122-Y124 PolarHBondContact O-N 2.98Å; I122-Y124 VanDerWaalsContact O-N 3.07Å; Y124-A348 HydrophobicContact CD1-CB 4.11Å; Y124-A348 HydrophobicContact CE1-CB 3.96Å
125	L	93.2	Very high	94.7	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.12	C	C	.	.			trans	-87.4	150	173.8	-61.3	176.9	0	0	0	110.4	Y76 I119 I122 T130 I131 F134 R349	Y76-L125 HydrophobicContact CD2-CD2 3.79Å; Y76-L125 HydrophobicContact CE1-CD2 4.41Å; Y76-L125 HydrophobicContact CE2-CD2 3.31Å; Y76-L125 HydrophobicContact CG-CD2 4.5Å; I119-L125 HydrophobicContact CD1-CD1 4Å; I119-L125 HydrophobicContact CD1-CD2 3.49Å; I119-L125 VanDerWaalsContact CD1-CD2 3.49Å; I119-L125 HydrophobicContact CD1-CG 3.5Å; I119-L125 VanDerWaalsContact CD1-CG 3.5Å; I122-L125 HydrophobicContact CB-CD1 4.28Å; I122-L125 HydrophobicContact CG2-CD1 4.03Å; I122-L125 VanDerWaalsContact O-CB 3.32Å; I122-L125 WeakPolarHBondContact O-CB 3.31Å; I122-L125 PolarHBondContact O-N 2.68Å; L125-T130 HydrophobicContact CD1-CG2 3.8Å; L125-T130 HydrophobicContact CD2-CG2 3.65Å; L125-T130 HydrophobicContact CG-CG2 4.19Å; L125-I131 HydrophobicContact CB-CD1 4.25Å; L125-I131 HydrophobicContact CB-CG1 3.7Å; L125-I131 HydrophobicContact CD1-CB 4.39Å; L125-I131 HydrophobicContact CD1-CG1 3.73Å; L125-I131 HydrophobicContact CG-CG1 4.34Å; L125-F134 HydrophobicContact CD1-CB 4.49Å; L125-F134 HydrophobicContact CD1-CD2 3.85Å; L125-F134 HydrophobicContact CD1-CE2 4.19Å; L125-F134 HydrophobicContact CD1-CG 4.09Å; L125-F134 HydrophobicContact CD2-CE2 4.42Å; L125-R349 WeakPolarHBondContact O-CD 3.48Å
126	K	91.1	Very high	94.7	Very high	107 Å²	107	26.6 Å²	26.6	47%	0.465	13%	0.128	S	C	.	.			trans	-104.3	-35.3	-177.7	-54.4	178.1	-154.9	-176.5	0	112.2	E73 H346	E73-K126 WeakPolarHBondContact OE1-CG 3.37Å; E73-K126 PolarHBondContact OE1-N 3.33Å; E73-K126 PolarHBondContact OE2-N 2.87Å; K126-H346 WeakPolarHBondContact CE-CD2 3.41Å; K126-H346 PolarHBondContact NZ-CD2 3.1Å; K126-H346 PolarHBondContact NZ-NE2 3.4Å
127	D	92.3	Very high	94.8	Very high	23 Å²	23	25.8 Å²	25.8	12%	0.123	13%	0.125	C	C	.	.			trans	-106	128.6	-169.6	-163.7	33.9	0	0	0	111.2	K72 E73 A129 T130 I131	K72-D127 HydrophobicContact CB-CB 4.33Å; K72-D127 WeakPolarHBondContact CB-OD2 3.28Å; K72-D127 HydrophobicContact CD-CB 4.45Å; K72-D127 VanDerWaalsContact CG-OD2 3.27Å; K72-D127 WeakPolarHBondContact CG-OD2 3.42Å; K72-D127 PolarHBondContact N-OD2 3.27Å; K72-D127 IonicContact NZ-OD1 2.67Å; K72-D127 PolarHBondContact NZ-OD1 3.41Å; K72-D127 IonicContact NZ-OD2 3.73Å; K72-D127 PolarHBondContact NZ-OD2 2.97Å; E73-D127 HydrophobicContact CG-CB 4.41Å; E73-D127 PolarHBondContact OE2-N 2.9Å; D127-A129 VanDerWaalsContact C-N 3.26Å; D127-A129 PolarHBondContact O-N 3.3Å; D127-T130 WeakPolarHBondContact O-CA 3.48Å; D127-T130 WeakPolarHBondContact O-CB 3.16Å; D127-T130 PolarHBondContact O-N 3.43Å; D127-T130 PolarHBondContact O-OG1 3.03Å; D127-I131 PolarHBondContact O-N 3.23Å
128	N	94	Very high	94.8	Very high	24 Å²	24	24.6 Å²	24.6	13%	0.128	12%	0.12	C	C	.	.	H	α-helix	trans	-62.4	-35.5	-172	-62.3	-16.9	0	0	0	111.9	T130 I131 E132 R349 D357 L358	N128-T130 VanDerWaalsContact C-N 3.27Å; N128-T130 PolarHBondContact O-N 3.02Å; N128-I131 PolarHBondContact O-N 3.33Å; N128-I131 VanDerWaalsContact O-N 3.07Å; N128-E132 PolarHBondContact O-N 2.92Å; N128-R349 PolarHBondContact OD1-NH1 2.93Å; N128-D357 WeakPolarHBondContact ND2-CB 3.4Å; N128-D357 PolarHBondContact ND2-OD2 2.98Å; N128-D357 PolarHBondContact OD1-OD2 2.81Å; N128-D357 VanDerWaalsContact OD1-OD2 3.1Å; N128-L358 HydrophobicContact CB-CD2 4.12Å
129	A	94.7	Very high	94.8	Very high	24 Å²	24	24.9 Å²	24.9	20%	0.198	12%	0.122	C	C	.	.	H	α-helix	trans	-61.3	-32.6	172.3	0	0	0	0	0	112.8	D127 L133	D127-A129 VanDerWaalsContact C-N 3.26Å; D127-A129 PolarHBondContact O-N 3.3Å; A129-L133 WeakPolarHBondContact O-CB 3.29Å; A129-L133 WeakPolarHBondContact O-CG 3.46Å; A129-L133 PolarHBondContact O-N 3.48Å; A129-L133 VanDerWaalsContact O-N 3.08Å
130	T	96.1	Very high	94.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-44.6	171.8	-46.5	0	0	0	0	110.5	L71 E73 Y76 F77 L125 D127 N128 L133 F134	L71-T130 HydrophobicContact CD1-CG2 4.37Å; L71-T130 WeakPolarHBondContact CD1-OG1 3.21Å; E73-T130 HydrophobicContact CB-CG2 4.13Å; E73-T130 WeakPolarHBondContact OE2-CB 3.39Å; E73-T130 PolarHBondContact OE2-OG1 3.44Å; Y76-T130 HydrophobicContact CD2-CG2 3.99Å; Y76-T130 HydrophobicContact CE2-CG2 4.49Å; F77-T130 HydrophobicContact CE2-CG2 3.93Å; F77-T130 HydrophobicContact CZ-CG2 4.18Å; L125-T130 HydrophobicContact CD1-CG2 3.8Å; L125-T130 HydrophobicContact CD2-CG2 3.65Å; L125-T130 HydrophobicContact CG-CG2 4.19Å; D127-T130 WeakPolarHBondContact O-CA 3.48Å; D127-T130 WeakPolarHBondContact O-CB 3.16Å; D127-T130 PolarHBondContact O-N 3.43Å; D127-T130 PolarHBondContact O-OG1 3.03Å; N128-T130 VanDerWaalsContact C-N 3.27Å; N128-T130 PolarHBondContact O-N 3.02Å; T130-L133 PolarHBondContact O-N 3.48Å; T130-F134 HydrophobicContact CG2-CD2 4.1Å; T130-F134 HydrophobicContact CG2-CE2 4.09Å; T130-F134 WeakPolarHBondContact O-CD2 3.45Å; T130-F134 PolarHBondContact O-N 3.37Å
131	I	96.4	Very high	95	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66	-44.6	-178.1	-56.7	171.2	0	0	0	110.6	I122 L125 D127 N128 L133 F134 F135 I354 L358	I122-I131 HydrophobicContact CB-CG2 4.16Å; I122-I131 HydrophobicContact CD1-CG2 3.96Å; I122-I131 HydrophobicContact CG2-CG2 4.15Å; L125-I131 HydrophobicContact CB-CD1 4.25Å; L125-I131 HydrophobicContact CB-CG1 3.7Å; L125-I131 HydrophobicContact CD1-CB 4.39Å; L125-I131 HydrophobicContact CD1-CG1 3.73Å; L125-I131 HydrophobicContact CG-CG1 4.34Å; D127-I131 PolarHBondContact O-N 3.23Å; N128-I131 PolarHBondContact O-N 3.33Å; N128-I131 VanDerWaalsContact O-N 3.07Å; I131-L133 VanDerWaalsContact C-N 3.33Å; I131-L133 PolarHBondContact O-N 3.29Å; I131-F134 PolarHBondContact O-N 2.93Å; I131-F135 PolarHBondContact O-N 3.17Å; I131-I354 HydrophobicContact CD1-CD1 4.01Å; I131-I354 HydrophobicContact CD1-CG1 3.99Å; I131-I354 HydrophobicContact CD1-CG2 3.76Å; I131-I354 HydrophobicContact CG2-CG2 4.23Å; I131-L358 HydrophobicContact CG2-CD1 3.92Å
132	E	96	Very high	95	Very high	35 Å²	35	21.3 Å²	21.3	16%	0.164	11%	0.106	C	C	.	.	H	α-helix	trans	-59.8	-41.2	174.1	-68.1	-164.6	134.5	0	0	112.3	N128 F135 L136 R215 L358	N128-E132 PolarHBondContact O-N 2.92Å; E132-F135 PolarHBondContact O-N 3.19Å; E132-L136 WeakPolarHBondContact O-CB 3.48Å; E132-L136 WeakPolarHBondContact O-CG 3.29Å; E132-L136 PolarHBondContact O-N 2.73Å; E132-R215 IonicContact OE1-CZ 3.76Å; E132-R215 IonicContact OE1-NH1 2.6Å; E132-R215 PolarHBondContact OE1-NH1 3.25Å; E132-R215 IonicContact OE1-NH2 2.72Å; E132-R215 PolarHBondContact OE1-NH2 2.86Å; E132-L358 HydrophobicContact CG-CD2 3.56Å
133	L	96.8	Very high	94.9	Very high	4 Å²	4	26 Å²	26	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-68.7	-32.9	176.5	-71.2	172.2	0	0	0	112.7	L43 F69 L71 F77 F113 A129 T130 I131 N137	L43-L133 HydrophobicContact CB-CD2 3.84Å; L43-L133 HydrophobicContact CD1-CB 4.08Å; L43-L133 HydrophobicContact CD1-CD2 3.95Å; L43-L133 HydrophobicContact CG-CD2 4.48Å; F69-L133 HydrophobicContact CB-CD1 4.01Å; F69-L133 HydrophobicContact CD1-CD1 4.31Å; F69-L133 HydrophobicContact CD1-CD2 3.75Å; F69-L133 HydrophobicContact CD1-CG 4.42Å; F69-L133 HydrophobicContact CD2-CD1 4.29Å; F69-L133 HydrophobicContact CD2-CD2 4.29Å; F69-L133 HydrophobicContact CE1-CD2 3.64Å; F69-L133 HydrophobicContact CE2-CD2 4.2Å; F69-L133 HydrophobicContact CG-CD1 3.96Å; F69-L133 HydrophobicContact CG-CD2 4.07Å; F69-L133 HydrophobicContact CZ-CD2 3.88Å; L71-L133 HydrophobicContact CD1-CD1 4.17Å; L71-L133 HydrophobicContact CD2-CD1 3.99Å; L71-L133 HydrophobicContact CG-CD1 4.5Å; F77-L133 HydrophobicContact CE1-CB 3.71Å; F77-L133 HydrophobicContact CE1-CD1 4.28Å; F77-L133 HydrophobicContact CZ-CB 3.66Å; F77-L133 HydrophobicContact CZ-CD1 4.08Å; F113-L133 HydrophobicContact CE1-CD1 4.29Å; F113-L133 HydrophobicContact CE1-CD2 4.49Å; A129-L133 WeakPolarHBondContact O-CB 3.29Å; A129-L133 WeakPolarHBondContact O-CG 3.46Å; A129-L133 PolarHBondContact O-N 3.48Å; A129-L133 VanDerWaalsContact O-N 3.08Å; T130-L133 PolarHBondContact O-N 3.48Å; I131-L133 VanDerWaalsContact C-N 3.33Å; I131-L133 PolarHBondContact O-N 3.29Å; L133-N137 WeakPolarHBondContact O-CB 3.2Å; L133-N137 PolarHBondContact O-N 2.74Å
134	F	97.8	Very high	94.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	14%	0.141	C	C	.	.	H	α-helix	trans	-64.2	-43.9	170.5	-96.2	-107.2	0	0	0	111.5	Y76 F77 V115 I119 I122 L125 T130 I131 N137 A138 M223	Y76-F134 HydrophobicContact CD1-CZ 4.4Å; Y76-F134 HydrophobicContact CD2-CE2 4.49Å; Y76-F134 HydrophobicContact CG-CE2 4.13Å; Y76-F134 HydrophobicContact CG-CZ 4.21Å; F77-F134 HydrophobicContact CE2-CE2 4.37Å; F77-F134 AromaticContact CZ-CD2 3.96Å; F77-F134 HydrophobicContact CZ-CD2 3.96Å; F77-F134 HydrophobicContact CZ-CE2 4.02Å; V115-F134 HydrophobicContact CG1-CD1 4.43Å; V115-F134 HydrophobicContact CG1-CE1 3.75Å; V115-F134 HydrophobicContact CG1-CE2 4.18Å; V115-F134 HydrophobicContact CG1-CZ 3.61Å; V115-F134 HydrophobicContact CG2-CD1 4.31Å; V115-F134 HydrophobicContact CG2-CD2 3.93Å; V115-F134 HydrophobicContact CG2-CE1 4.34Å; V115-F134 HydrophobicContact CG2-CE2 3.97Å; V115-F134 HydrophobicContact CG2-CG 4.12Å; V115-F134 HydrophobicContact CG2-CZ 4.19Å; I119-F134 HydrophobicContact CD1-CE1 4.27Å; I119-F134 HydrophobicContact CD1-CZ 4.34Å; I119-F134 HydrophobicContact CG1-CE1 3.96Å; I119-F134 HydrophobicContact CG1-CZ 4.33Å; I122-F134 HydrophobicContact CG2-CB 4.26Å; L125-F134 HydrophobicContact CD1-CB 4.49Å; L125-F134 HydrophobicContact CD1-CD2 3.85Å; L125-F134 HydrophobicContact CD1-CE2 4.19Å; L125-F134 HydrophobicContact CD1-CG 4.09Å; L125-F134 HydrophobicContact CD2-CE2 4.42Å; T130-F134 HydrophobicContact CG2-CD2 4.1Å; T130-F134 HydrophobicContact CG2-CE2 4.09Å; T130-F134 WeakPolarHBondContact O-CD2 3.45Å; T130-F134 PolarHBondContact O-N 3.37Å; I131-F134 PolarHBondContact O-N 2.93Å; F134-N137 PolarHBondContact O-N 3.22Å; F134-A138 WeakPolarHBondContact O-CB 3.38Å; F134-A138 PolarHBondContact O-N 2.99Å; F134-M223 HydrophobicContact CB-CE 4.35Å
135	F	97.6	Very high	94.6	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.009	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-47	174	164.3	-104.5	0	0	0	112.9	I131 E132 N137 A138 K139 E164 I219 Y222 M223	I131-F135 PolarHBondContact O-N 3.17Å; E132-F135 PolarHBondContact O-N 3.19Å; F135-N137 VanDerWaalsContact C-N 3.33Å; F135-N137 PolarHBondContact O-N 3.26Å; F135-A138 WeakPolarHBondContact O-CB 3.34Å; F135-A138 PolarHBondContact O-N 3.4Å; F135-K139 WeakPolarHBondContact O-CB 3.25Å; F135-K139 PolarHBondContact O-N 3.49Å; F135-E164 HydrophobicContact CE1-CG 3.77Å; F135-E164 WeakPolarHBondContact CE1-OE2 3.39Å; F135-E164 HydrophobicContact CZ-CB 4.17Å; F135-E164 HydrophobicContact CZ-CG 3.76Å; F135-I219 HydrophobicContact CB-CG2 3.82Å; F135-I219 HydrophobicContact CD1-CD1 4.49Å; F135-I219 HydrophobicContact CD1-CG1 4.11Å; F135-I219 HydrophobicContact CD1-CG2 4.43Å; F135-I219 HydrophobicContact CD2-CB 4.47Å; F135-I219 HydrophobicContact CD2-CG1 4.33Å; F135-I219 HydrophobicContact CD2-CG2 4.09Å; F135-I219 HydrophobicContact CE1-CG1 4.1Å; F135-I219 HydrophobicContact CE2-CG1 4.33Å; F135-I219 HydrophobicContact CG-CG1 4.23Å; F135-I219 HydrophobicContact CG-CG2 3.86Å; F135-I219 HydrophobicContact CZ-CG1 4.2Å; F135-Y222 AromaticContact CD2-CD1 3.56Å; F135-Y222 HydrophobicContact CD2-CD1 3.56Å; F135-Y222 HydrophobicContact CD2-CE1 4.11Å; F135-Y222 AromaticContact CD2-CG 3.88Å; F135-Y222 HydrophobicContact CD2-CG 3.88Å; F135-Y222 AromaticContact CE2-CD1 3.72Å; F135-Y222 HydrophobicContact CE2-CD1 3.72Å; F135-Y222 AromaticContact CE2-CD2 3.94Å; F135-Y222 HydrophobicContact CE2-CD2 3.94Å; F135-Y222 HydrophobicContact CE2-CE1 4.2Å; F135-Y222 HydrophobicContact CE2-CE2 4.4Å; F135-Y222 AromaticContact CE2-CG 3.61Å; F135-Y222 HydrophobicContact CE2-CG 3.61Å; F135-M223 HydrophobicContact CB-CG 4.2Å; F135-M223 HydrophobicContact CB-SD 4.18Å
136	L	96.4	Very high	94.3	Very high	35 Å²	35	33.7 Å²	33.7	18%	0.183	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-38.7	176.5	-72.5	178.3	0	0	0	112.1	L43 D44 E132 S140	L43-L136 HydrophobicContact CB-CB 4.18Å; L43-L136 WeakPolarHBondContact O-CB 3.25Å; D44-L136 HydrophobicContact CB-CD1 4.07Å; E132-L136 WeakPolarHBondContact O-CB 3.48Å; E132-L136 WeakPolarHBondContact O-CG 3.29Å; E132-L136 PolarHBondContact O-N 2.73Å; L136-S140 WeakPolarHBondContact O-CB 3.4Å; L136-S140 PolarHBondContact O-N 3Å
137	N	96.3	Very high	94.1	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-63.1	-46.4	172.2	-178.3	100.9	0	0	0	111.4	L43 V115 Y118 L133 F134 F135 S140 I141	L43-N137 HydrophobicContact CD1-CB 4.11Å; L43-N137 HydrophobicContact CD2-CB 3.81Å; V115-N137 HydrophobicContact CB-CB 4.42Å; V115-N137 HydrophobicContact CG2-CB 3.72Å; V115-N137 PolarHBondContact N-OD1 3.15Å; Y118-N137 PolarHBondContact OH-ND2 3.02Å; L133-N137 WeakPolarHBondContact O-CB 3.2Å; L133-N137 PolarHBondContact O-N 2.74Å; F134-N137 PolarHBondContact O-N 3.22Å; F135-N137 VanDerWaalsContact C-N 3.33Å; F135-N137 PolarHBondContact O-N 3.26Å; N137-S140 PolarHBondContact O-N 2.89Å; N137-I141 WeakPolarHBondContact O-CG1 3.47Å; N137-I141 WeakPolarHBondContact O-CG2 3.34Å; N137-I141 PolarHBondContact O-N 3.34Å
138	A	96.8	Very high	93.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.6	-48.7	176.3	0	0	0	0	0	112.3	F134 F135 S140 I141 I142 Y222 M223 V226	F134-A138 WeakPolarHBondContact O-CB 3.38Å; F134-A138 PolarHBondContact O-N 2.99Å; F135-A138 WeakPolarHBondContact O-CB 3.34Å; F135-A138 PolarHBondContact O-N 3.4Å; A138-S140 VanDerWaalsContact C-N 3.31Å; A138-S140 PolarHBondContact O-N 3.2Å; A138-I141 WeakPolarHBondContact O-CG1 3.44Å; A138-I141 PolarHBondContact O-N 3.34Å; A138-I142 WeakPolarHBondContact O-CG1 3.28Å; A138-I142 PolarHBondContact O-N 3.47Å; A138-I142 VanDerWaalsContact O-N 3.12Å; A138-Y222 HydrophobicContact CB-CE1 3.89Å; A138-M223 HydrophobicContact CB-SD 3.74Å; A138-V226 HydrophobicContact CB-CG1 4.09Å
139	K	95.5	Very high	93.7	Very high	25 Å²	25	31.9 Å²	31.9	11%	0.109	16%	0.156	C	C	.	.	H	α-helix	trans	-53.8	-47.3	171.9	-179.3	165.6	66.8	-172.1	0	111.7	F135 Y143 I161 E164 Y222	F135-K139 WeakPolarHBondContact O-CB 3.25Å; F135-K139 PolarHBondContact O-N 3.49Å; K139-Y143 VanDerWaalsContact O-CB 3.29Å; K139-Y143 WeakPolarHBondContact O-CB 3.48Å; K139-Y143 PolarHBondContact O-N 3.23Å; K139-I161 HydrophobicContact CD-CD1 3.7Å; K139-I161 HydrophobicContact CD-CG1 3.88Å; K139-I161 HydrophobicContact CD-CG2 4.1Å; K139-I161 HydrophobicContact CG-CD1 3.81Å; K139-I161 HydrophobicContact CG-CG1 4.45Å; K139-E164 IonicContact NZ-OE2 3.07Å; K139-Y222 WeakPolarHBondContact CA-OH 3.03Å
140	S	93.9	Very high	93.6	Very high	20 Å²	20	36.8 Å²	36.8	14%	0.14	18%	0.179	C	C	.	.	H	α-helix	trans	-66.6	-39	-178.6	-153.1	0	0	0	0	113.9	L136 N137 A138 K144	L136-S140 WeakPolarHBondContact O-CB 3.4Å; L136-S140 PolarHBondContact O-N 3Å; N137-S140 PolarHBondContact O-N 2.89Å; A138-S140 VanDerWaalsContact C-N 3.31Å; A138-S140 PolarHBondContact O-N 3.2Å; S140-K144 VanDerWaalsContact O-CB 3.24Å; S140-K144 WeakPolarHBondContact O-CB 3.05Å; S140-K144 VanDerWaalsContact O-CD 3.31Å; S140-K144 WeakPolarHBondContact O-CD 3.36Å; S140-K144 WeakPolarHBondContact O-CG 3.35Å; S140-K144 PolarHBondContact O-N 3.49Å; S140-K144 VanDerWaalsContact O-N 3.1Å; S140-K144 WeakPolarHBondContact OG-CE 3.25Å; S140-K144 PolarHBondContact OG-NZ 2.84Å
141	I	92.4	Very high	93.5	Very high	21 Å²	21	37.1 Å²	37.1	11%	0.108	18%	0.181	C	C	.	.	H	α-helix	trans	-78.7	-28.4	-177.4	65	-171.5	0	0	0	113	Y118 N137 A138 E145 L146 I147	Y118-I141 HydrophobicContact CE1-CD1 4.47Å; N137-I141 WeakPolarHBondContact O-CG1 3.47Å; N137-I141 WeakPolarHBondContact O-CG2 3.34Å; N137-I141 PolarHBondContact O-N 3.34Å; A138-I141 WeakPolarHBondContact O-CG1 3.44Å; A138-I141 PolarHBondContact O-N 3.34Å; I141-E145 PolarHBondContact O-N 3.26Å; I141-L146 HydrophobicContact CB-CB 4.25Å; I141-L146 HydrophobicContact CB-CD1 4.39Å; I141-L146 HydrophobicContact CG2-CD1 4.16Å; I141-L146 PolarHBondContact O-N 3.07Å; I141-I147 HydrophobicContact CD1-CD1 3.39Å; I141-I147 HydrophobicContact CD1-CG1 4.11Å; I141-I147 HydrophobicContact CG1-CD1 3.8Å; I141-I147 HydrophobicContact CG1-CG1 4.18Å
142	I	94.8	Very high	93.4	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-74.1	-47.9	172.2	-67.1	177.1	0	0	0	110.1	A138 K144 E145 I147 V149 L157 P186 V226 L229	A138-I142 WeakPolarHBondContact O-CG1 3.28Å; A138-I142 PolarHBondContact O-N 3.47Å; A138-I142 VanDerWaalsContact O-N 3.12Å; I142-K144 PolarHBondContact O-N 3.45Å; I142-E145 PolarHBondContact O-N 2.89Å; I142-I147 HydrophobicContact CG1-CB 4.48Å; I142-V149 HydrophobicContact CD1-CG2 4.28Å; I142-V149 HydrophobicContact CG1-CG2 4.17Å; I142-V149 HydrophobicContact CG2-CG2 4.38Å; I142-L157 HydrophobicContact CD1-CD1 3.78Å; I142-P186 HydrophobicContact CG2-CG 4.3Å; I142-P186 WeakPolarHBondContact O-CG 3.38Å; I142-V226 HydrophobicContact CD1-CG1 4.29Å; I142-V226 HydrophobicContact CD1-CG2 3.55Å; I142-L229 HydrophobicContact CD1-CD1 4.43Å
143	Y	93.4	Very high	93.5	Very high	100 Å²	100	40.6 Å²	40.6	39%	0.392	20%	0.2	S	C	.	.	H	α-helix	trans	-59.7	-29.2	175.5	-177.8	-106.1	0	0	0	113.4	K139 P183 L185	K139-Y143 VanDerWaalsContact O-CB 3.29Å; K139-Y143 WeakPolarHBondContact O-CB 3.48Å; K139-Y143 PolarHBondContact O-N 3.23Å; Y143-P183 HydrophobicContact CD1-CB 3.69Å; Y143-P183 VanDerWaalsContact CD2-C 3.42Å; Y143-P183 HydrophobicContact CD2-CB 3.88Å; Y143-P183 HydrophobicContact CE1-CB 3.73Å; Y143-P183 HydrophobicContact CE2-CB 3.92Å; Y143-P183 HydrophobicContact CG-CB 3.77Å; Y143-L185 WeakPolarHBondContact CE2-O 3.41Å
144	K	90.6	Very high	93.5	Very high	108 Å²	108	40.7 Å²	40.7	47%	0.47	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	8.8	176.2	-69	168.8	-176.5	158.2	0	114.5	S140 I142 L146	S140-K144 VanDerWaalsContact O-CB 3.24Å; S140-K144 WeakPolarHBondContact O-CB 3.05Å; S140-K144 VanDerWaalsContact O-CD 3.31Å; S140-K144 WeakPolarHBondContact O-CD 3.36Å; S140-K144 WeakPolarHBondContact O-CG 3.35Å; S140-K144 PolarHBondContact O-N 3.49Å; S140-K144 VanDerWaalsContact O-N 3.1Å; S140-K144 WeakPolarHBondContact OG-CE 3.25Å; S140-K144 PolarHBondContact OG-NZ 2.84Å; I142-K144 PolarHBondContact O-N 3.45Å; K144-L146 HydrophobicContact CB-CD1 4.23Å; K144-L146 HydrophobicContact CB-CG 4.03Å; K144-L146 PolarHBondContact O-N 2.62Å; K144-L146 VanDerWaalsContact O-N 3.14Å
145	E	90.4	Very high	93.5	Very high	79 Å²	79	40.6 Å²	40.6	37%	0.369	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	28.9	175.9	-61.4	164.3	-163.8	0	0	113.2	I141 I142 P186 T187 Q188	I141-E145 PolarHBondContact O-N 3.26Å; I142-E145 PolarHBondContact O-N 2.89Å; E145-P186 HydrophobicContact CG-CB 3.83Å; E145-T187 VanDerWaalsContact OE1-CA 3.25Å; E145-T187 WeakPolarHBondContact OE1-CA 3.5Å; E145-T187 VanDerWaalsContact OE1-CB 3.29Å; E145-T187 WeakPolarHBondContact OE1-CB 3.28Å; E145-T187 PolarHBondContact OE1-N 2.69Å; E145-Q188 HydrophobicContact CG-CB 4.38Å; E145-Q188 PolarHBondContact OE1-N 3.43Å
146	L	87.3	Confident	93.5	Very high	87 Å²	87	43.4 Å²	43.4	46%	0.455	21%	0.213	S	C	.	.			trans	-85.4	-18.3	178.2	-61.1	178.5	0	0	0	112.6	F88 I141 K144	F88-L146 HydrophobicContact CE2-CD1 4.19Å; I141-L146 HydrophobicContact CB-CB 4.25Å; I141-L146 HydrophobicContact CB-CD1 4.39Å; I141-L146 HydrophobicContact CG2-CD1 4.16Å; I141-L146 PolarHBondContact O-N 3.07Å; K144-L146 HydrophobicContact CB-CD1 4.23Å; K144-L146 HydrophobicContact CB-CG 4.03Å; K144-L146 PolarHBondContact O-N 2.62Å; K144-L146 VanDerWaalsContact O-N 3.14Å
147	I	86.4	Confident	93.6	Very high	16 Å²	16	41.9 Å²	41.9	8%	0.082	21%	0.205	C	C	.	.	S	Bend	trans	-116.7	130.7	171.5	-68.1	-170.6	0	0	0	107.1	I141 I142 V149 L229 T231 Y232	I141-I147 HydrophobicContact CD1-CD1 3.39Å; I141-I147 HydrophobicContact CD1-CG1 4.11Å; I141-I147 HydrophobicContact CG1-CD1 3.8Å; I141-I147 HydrophobicContact CG1-CG1 4.18Å; I142-I147 HydrophobicContact CG1-CB 4.48Å; I147-V149 HydrophobicContact CB-CG2 4.37Å; I147-V149 HydrophobicContact CG2-CG2 3.65Å; I147-L229 HydrophobicContact CG2-CD1 4.16Å; I147-T231 VanDerWaalsContact CG2-OG1 3.26Å; I147-T231 WeakPolarHBondContact CG2-OG1 3.32Å; I147-Y232 HydrophobicContact CD1-CD2 4.4Å
148	E	86.1	Confident	93.7	Very high	74 Å²	74	41.7 Å²	41.7	35%	0.346	20%	0.204	S	C	.	.			trans	-75.2	124.4	170.5	-70.8	160	-162	0	0	108.9	T231 K264	E148-T231 HydrophobicContact CB-CG2 4.34Å; E148-T231 PolarHBondContact O-OG1 3.14Å; E148-T231 VanDerWaalsContact O-OG1 3.14Å; E148-K264 WeakPolarHBondContact OE1-CG 2.75Å; E148-K264 IonicContact OE1-NZ 2.72Å; E148-K264 PolarHBondContact OE1-NZ 2.72Å; E148-K264 WeakPolarHBondContact OE2-CB 3.38Å
149	V	91.5	Very high	93.8	Very high	26 Å²	26	41.7 Å²	41.7	16%	0.158	20%	0.204	C	C	.	.			trans	-142.8	136.4	-176.4	-170.3	0	0	0	0	108.5	I142 I147 V153 V154 L229	I142-V149 HydrophobicContact CD1-CG2 4.28Å; I142-V149 HydrophobicContact CG1-CG2 4.17Å; I142-V149 HydrophobicContact CG2-CG2 4.38Å; I147-V149 HydrophobicContact CB-CG2 4.37Å; I147-V149 HydrophobicContact CG2-CG2 3.65Å; V149-V153 HydrophobicContact CG1-CB 3.9Å; V149-V153 HydrophobicContact CG1-CG1 3.85Å; V149-V154 HydrophobicContact CB-CG2 3.99Å; V149-V154 HydrophobicContact CG1-CG2 3.86Å; V149-L229 HydrophobicContact CG1-CD1 4.38Å; V149-L229 HydrophobicContact CG1-CD2 4.31Å; V149-L229 HydrophobicContact CG2-CD1 3.82Å
150	D	92.7	Very high	93.9	Very high	127 Å²	127	41.5 Å²	41.5	68%	0.679	20%	0.203	S	C	*	.			trans	-67.1	140	176.8	-62.9	-53.1	0	0	0	111.6	E152 V153 V154	D150-E152 PolarHBondContact O-N 2.83Å; D150-E152 VanDerWaalsContact O-N 3.08Å; D150-V153 PolarHBondContact O-N 3.07Å; D150-V154 PolarHBondContact O-N 3.47Å
151	S	94.5	Very high	94.1	Very high	8 Å²	8	40.7 Å²	40.7	6%	0.056	20%	0.197	C	C	.	.	H	α-helix	trans	-53.4	-32.4	-176.8	-83.9	0	0	0	0	114.8	V154 F155 A189 E192 H193	S151-V154 WeakPolarHBondContact O-CB 3.5Å; S151-V154 PolarHBondContact O-N 3.49Å; S151-F155 WeakPolarHBondContact O-CD2 3.38Å; S151-F155 VanDerWaalsContact O-CG 3.22Å; S151-F155 WeakPolarHBondContact O-CG 3.46Å; S151-F155 PolarHBondContact O-N 3.48Å; S151-A189 WeakPolarHBondContact OG-CA 3.22Å; S151-A189 WeakPolarHBondContact OG-CB 3.32Å; S151-E192 PolarHBondContact OG-OE2 3Å; S151-H193 WeakPolarHBondContact CB-NE2 3.43Å; S151-H193 PolarHBondContact OG-NE2 3.35Å
152	E	95.3	Very high	94.3	Very high	72 Å²	72	39.8 Å²	39.8	34%	0.336	19%	0.192	S	C	.	.	H	α-helix	trans	-67.5	-42.9	177.1	-174.9	60.3	-158	0	0	112.3	D150 V154 F155 E156 R202 H206	D150-E152 PolarHBondContact O-N 2.83Å; D150-E152 VanDerWaalsContact O-N 3.08Å; E152-V154 VanDerWaalsContact C-N 3.27Å; E152-V154 PolarHBondContact O-N 3.06Å; E152-F155 PolarHBondContact O-N 3.44Å; E152-F155 VanDerWaalsContact O-N 3.12Å; E152-E156 PolarHBondContact O-N 2.85Å; E152-E156 VanDerWaalsContact O-N 3.1Å; E152-R202 IonicContact OE1-CZ 3.86Å; E152-R202 IonicContact OE1-NH2 3.81Å; E152-R202 PolarHBondContact OE1-NH2 3.43Å; E152-R202 IonicContact OE2-CZ 3.48Å; E152-R202 IonicContact OE2-NE 3.97Å; E152-R202 PolarHBondContact OE2-NE 3.42Å; E152-R202 IonicContact OE2-NH2 2.78Å; E152-R202 PolarHBondContact OE2-NH2 2.96Å; E152-H206 IonicContact OE1-CD2 3.73Å; E152-H206 IonicContact OE1-CE1 2.67Å; E152-H206 PolarHBondContact OE1-CE1 3.31Å; E152-H206 IonicContact OE1-NE2 3.42Å; E152-H206 PolarHBondContact OE1-NE2 3.42Å
153	V	96.7	Very high	94.4	Very high	36 Å²	36	39.5 Å²	39.5	22%	0.218	19%	0.191	C	C	.	.	H	α-helix	trans	-66.8	-34	175.4	-179.6	0	0	0	0	110.1	V149 D150 F155 E156 L157 I225	V149-V153 HydrophobicContact CG1-CB 3.9Å; V149-V153 HydrophobicContact CG1-CG1 3.85Å; D150-V153 PolarHBondContact O-N 3.07Å; V153-F155 VanDerWaalsContact C-N 3.35Å; V153-E156 PolarHBondContact O-N 3.41Å; V153-L157 HydrophobicContact CG1-CD1 3.99Å; V153-L157 HydrophobicContact CG1-CG 4.26Å; V153-L157 VanDerWaalsContact O-CB 3.31Å; V153-L157 WeakPolarHBondContact O-CB 3.36Å; V153-L157 WeakPolarHBondContact O-CG 3.45Å; V153-L157 PolarHBondContact O-N 2.97Å; V153-I225 HydrophobicContact CG1-CG2 3.57Å
154	V	97.3	Very high	94.5	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.036	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-40.5	170.6	166.3	0	0	0	0	111.9	V149 D150 S151 E152 L157 A158 L185 P186 A189	V149-V154 HydrophobicContact CB-CG2 3.99Å; V149-V154 HydrophobicContact CG1-CG2 3.86Å; D150-V154 PolarHBondContact O-N 3.47Å; S151-V154 WeakPolarHBondContact O-CB 3.5Å; S151-V154 PolarHBondContact O-N 3.49Å; E152-V154 VanDerWaalsContact C-N 3.27Å; E152-V154 PolarHBondContact O-N 3.06Å; V154-L157 PolarHBondContact O-N 2.85Å; V154-A158 WeakPolarHBondContact O-CB 3.36Å; V154-A158 PolarHBondContact O-N 2.9Å; V154-L185 HydrophobicContact CG1-CD2 4.05Å; V154-P186 HydrophobicContact CG1-CG 4.08Å; V154-P186 HydrophobicContact CG2-CG 4.45Å; V154-A189 HydrophobicContact CG1-CB 4.01Å
155	F	97.8	Very high	94.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.2	-38.6	177.4	-56.2	-36.8	0	0	0	112.5	S151 E152 V153 A158 S159 L185 H193 Y198 C199 R202 V203	S151-F155 WeakPolarHBondContact O-CD2 3.38Å; S151-F155 VanDerWaalsContact O-CG 3.22Å; S151-F155 WeakPolarHBondContact O-CG 3.46Å; S151-F155 PolarHBondContact O-N 3.48Å; E152-F155 PolarHBondContact O-N 3.44Å; E152-F155 VanDerWaalsContact O-N 3.12Å; V153-F155 VanDerWaalsContact C-N 3.35Å; F155-A158 PolarHBondContact O-N 3.39Å; F155-S159 PolarHBondContact O-N 3.29Å; F155-L185 HydrophobicContact CD1-CD2 3.88Å; F155-L185 HydrophobicContact CE1-CD2 4.23Å; F155-H193 AromaticContact CZ-CD2 3.68Å; F155-H193 AromaticContact CZ-NE2 3.94Å; F155-Y198 HydrophobicContact CE2-CE1 4.46Å; F155-C199 HydrophobicContact CE1-CB 3.73Å; F155-C199 HydrophobicContact CZ-CB 4.17Å; F155-R202 HydrophobicContact CB-CB 4.27Å; F155-R202 HydrophobicContact CD2-CB 3.61Å; F155-R202 HydrophobicContact CD2-CG 4.18Å; F155-R202 HydrophobicContact CE2-CB 4.09Å; F155-R202 HydrophobicContact CE2-CG 4.26Å; F155-R202 HydrophobicContact CG-CB 3.95Å; F155-V203 HydrophobicContact CB-CG2 3.95Å; F155-V203 HydrophobicContact CD1-CG2 4Å; F155-V203 HydrophobicContact CG-CG2 4.34Å
156	E	98.1	Very high	94.9	Very high	60 Å²	60	34.6 Å²	34.6	28%	0.28	18%	0.18	S	C	.	.	H	α-helix	trans	-65.1	-46.4	172.8	-165.2	-170.4	170.3	0	0	111.5	E152 V153 A158 S159 Y160 I225	E152-E156 PolarHBondContact O-N 2.85Å; E152-E156 VanDerWaalsContact O-N 3.1Å; V153-E156 PolarHBondContact O-N 3.41Å; E156-A158 VanDerWaalsContact C-N 3.28Å; E156-A158 PolarHBondContact O-N 3.01Å; E156-S159 PolarHBondContact O-N 3.32Å; E156-S159 VanDerWaalsContact O-N 3.09Å; E156-S159 PolarHBondContact O-OG 3.37Å; E156-Y160 HydrophobicContact CG-CD2 4.4Å; E156-Y160 HydrophobicContact CG-CE2 3.8Å; E156-Y160 VanDerWaalsContact O-CD2 3.27Å; E156-Y160 WeakPolarHBondContact O-CD2 3.36Å; E156-Y160 PolarHBondContact O-N 3.49Å; E156-Y160 PolarHBondContact OE1-OH 3.43Å; E156-I225 HydrophobicContact CG-CD1 4.31Å; E156-I225 WeakPolarHBondContact OE1-CD1 3.5Å
157	L	98.3	Very high	95.2	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-35.8	176	-72.6	174.5	0	0	0	112.3	I142 V153 V154 S159 Y160 I161 Y222 I225 V226	I142-L157 HydrophobicContact CD1-CD1 3.78Å; V153-L157 HydrophobicContact CG1-CD1 3.99Å; V153-L157 HydrophobicContact CG1-CG 4.26Å; V153-L157 VanDerWaalsContact O-CB 3.31Å; V153-L157 WeakPolarHBondContact O-CB 3.36Å; V153-L157 WeakPolarHBondContact O-CG 3.45Å; V153-L157 PolarHBondContact O-N 2.97Å; V154-L157 PolarHBondContact O-N 2.85Å; L157-S159 VanDerWaalsContact C-N 3.34Å; L157-Y160 PolarHBondContact O-N 3.46Å; L157-I161 WeakPolarHBondContact O-CG1 3.28Å; L157-I161 PolarHBondContact O-N 2.88Å; L157-I161 VanDerWaalsContact O-N 3.14Å; L157-Y222 HydrophobicContact CB-CD2 4.09Å; L157-Y222 HydrophobicContact CB-CE2 3.63Å; L157-Y222 HydrophobicContact CD2-CD1 4.19Å; L157-Y222 HydrophobicContact CD2-CD2 3.51Å; L157-Y222 HydrophobicContact CD2-CE1 4.3Å; L157-Y222 HydrophobicContact CD2-CE2 3.65Å; L157-Y222 HydrophobicContact CD2-CG 3.77Å; L157-Y222 HydrophobicContact CG-CD2 4.39Å; L157-Y222 HydrophobicContact CG-CE2 4.15Å; L157-Y222 WeakPolarHBondContact O-CD2 3.46Å; L157-Y222 WeakPolarHBondContact O-CE2 3.25Å; L157-I225 HydrophobicContact CD1-CG2 4.39Å; L157-I225 HydrophobicContact CD2-CB 3.98Å; L157-I225 HydrophobicContact CD2-CD1 4.35Å; L157-I225 HydrophobicContact CD2-CG2 3.83Å; L157-I225 HydrophobicContact CG-CG2 4.17Å; L157-V226 HydrophobicContact CD1-CG2 3.96Å; L157-V226 HydrophobicContact CD2-CG2 3.87Å
158	A	98.1	Very high	95.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.1	-31	174.6	0	0	0	0	0	113.1	V154 F155 E156 I161 L162 A184 L185 V203	V154-A158 WeakPolarHBondContact O-CB 3.36Å; V154-A158 PolarHBondContact O-N 2.9Å; F155-A158 PolarHBondContact O-N 3.39Å; E156-A158 VanDerWaalsContact C-N 3.28Å; E156-A158 PolarHBondContact O-N 3.01Å; A158-I161 PolarHBondContact O-N 3.22Å; A158-L162 PolarHBondContact O-N 3.45Å; A158-L162 VanDerWaalsContact O-N 3.14Å; A158-A184 HydrophobicContact CB-CB 4Å; A158-L185 HydrophobicContact CB-CD2 3.92Å; A158-V203 HydrophobicContact CB-CG1 3.95Å; A158-V203 HydrophobicContact CB-CG2 3.79Å
159	S	98.2	Very high	96.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-71.2	-37.6	175.3	77.7	0	0	0	0	112.1	F155 E156 L157 I161 L162 Q163 L210	F155-S159 PolarHBondContact O-N 3.29Å; E156-S159 PolarHBondContact O-N 3.32Å; E156-S159 VanDerWaalsContact O-N 3.09Å; E156-S159 PolarHBondContact O-OG 3.37Å; L157-S159 VanDerWaalsContact C-N 3.34Å; S159-I161 VanDerWaalsContact C-N 3.31Å; S159-I161 PolarHBondContact O-N 2.84Å; S159-L162 WeakPolarHBondContact O-CB 3.35Å; S159-L162 PolarHBondContact O-N 3.08Å; S159-Q163 PolarHBondContact O-N 3.27Å; S159-L210 WeakPolarHBondContact O-CD1 3.25Å; S159-L210 WeakPolarHBondContact OG-CD1 3.37Å
160	Y	98.4	Very high	96.3	Very high	21 Å²	21	37.2 Å²	37.2	8%	0.082	21%	0.207	C	C	.	.	H	α-helix	trans	-65.3	-32.1	170.7	-69.2	-63.1	0	0	0	112.9	E156 L157 L162 Q163 E164 L210 A218 N221 I225	E156-Y160 HydrophobicContact CG-CD2 4.4Å; E156-Y160 HydrophobicContact CG-CE2 3.8Å; E156-Y160 VanDerWaalsContact O-CD2 3.27Å; E156-Y160 WeakPolarHBondContact O-CD2 3.36Å; E156-Y160 PolarHBondContact O-N 3.49Å; E156-Y160 PolarHBondContact OE1-OH 3.43Å; L157-Y160 PolarHBondContact O-N 3.46Å; Y160-L162 VanDerWaalsContact C-N 3.33Å; Y160-Q163 PolarHBondContact O-N 3.44Å; Y160-E164 WeakPolarHBondContact O-CB 3.22Å; Y160-E164 PolarHBondContact O-N 3.05Å; Y160-L210 HydrophobicContact CD1-CD1 3.55Å; Y160-L210 HydrophobicContact CD1-CD2 4.12Å; Y160-L210 HydrophobicContact CE1-CD1 3.82Å; Y160-L210 HydrophobicContact CE1-CD2 3.46Å; Y160-L210 VanDerWaalsContact CE1-CD2 3.46Å; Y160-L210 HydrophobicContact CE1-CG 4.31Å; Y160-L210 HydrophobicContact CG-CD1 4.12Å; Y160-A218 HydrophobicContact CD1-CB 4.14Å; Y160-N221 HydrophobicContact CD1-CB 3.95Å; Y160-N221 HydrophobicContact CE1-CB 3.41Å; Y160-N221 VanDerWaalsContact CE1-CB 3.41Å; Y160-N221 HydrophobicContact CE2-CB 4.23Å; Y160-I225 HydrophobicContact CD2-CD1 4.19Å; Y160-I225 HydrophobicContact CE2-CD1 3.54Å
161	I	97.3	Very high	96.5	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.015	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-36.3	172.5	-67.6	167.6	0	0	0	111.2	K139 L157 A158 S159 A165 L182 A184 Y222	K139-I161 HydrophobicContact CD-CD1 3.7Å; K139-I161 HydrophobicContact CD-CG1 3.88Å; K139-I161 HydrophobicContact CD-CG2 4.1Å; K139-I161 HydrophobicContact CG-CD1 3.81Å; K139-I161 HydrophobicContact CG-CG1 4.45Å; L157-I161 WeakPolarHBondContact O-CG1 3.28Å; L157-I161 PolarHBondContact O-N 2.88Å; L157-I161 VanDerWaalsContact O-N 3.14Å; A158-I161 PolarHBondContact O-N 3.22Å; S159-I161 VanDerWaalsContact C-N 3.31Å; S159-I161 PolarHBondContact O-N 2.84Å; I161-A165 VanDerWaalsContact O-CB 3.27Å; I161-A165 WeakPolarHBondContact O-CB 3.3Å; I161-A165 PolarHBondContact O-N 3.37Å; I161-A165 VanDerWaalsContact O-N 3.12Å; I161-L182 HydrophobicContact CG2-CD1 4.47Å; I161-A184 HydrophobicContact CB-CB 4.48Å; I161-A184 HydrophobicContact CD1-CB 4.18Å; I161-A184 HydrophobicContact CG2-CB 4.21Å; I161-Y222 HydrophobicContact CD1-CE2 3.72Å; I161-Y222 HydrophobicContact CG1-CD2 4.13Å; I161-Y222 HydrophobicContact CG1-CE2 3.66Å
162	L	96.9	Very high	96.6	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-65.2	-51.3	171.9	-73.8	161.1	0	0	0	111.1	A158 S159 Y160 E164 A165 K166 T175 D178 L179 L182 V203 F207	A158-L162 PolarHBondContact O-N 3.45Å; A158-L162 VanDerWaalsContact O-N 3.14Å; S159-L162 WeakPolarHBondContact O-CB 3.35Å; S159-L162 PolarHBondContact O-N 3.08Å; Y160-L162 VanDerWaalsContact C-N 3.33Å; L162-E164 VanDerWaalsContact C-N 3.28Å; L162-E164 PolarHBondContact O-N 3.11Å; L162-A165 PolarHBondContact O-N 3.24Å; L162-A165 VanDerWaalsContact O-N 3.13Å; L162-K166 WeakPolarHBondContact O-CA 3.14Å; L162-K166 VanDerWaalsContact O-CB 3.26Å; L162-K166 WeakPolarHBondContact O-CB 3.47Å; L162-K166 PolarHBondContact O-N 2.64Å; L162-T175 HydrophobicContact CD1-CG2 3.51Å; L162-T175 HydrophobicContact CD2-CG2 4.25Å; L162-D178 HydrophobicContact CD2-CB 4.33Å; L162-L179 HydrophobicContact CD1-CD1 4.35Å; L162-L179 HydrophobicContact CD1-CD2 3.8Å; L162-L179 HydrophobicContact CD1-CG 4.01Å; L162-L179 HydrophobicContact CD2-CD2 4.23Å; L162-L179 HydrophobicContact CD2-CG 4.24Å; L162-L179 HydrophobicContact CG-CD2 4.07Å; L162-L179 HydrophobicContact CG-CG 4.47Å; L162-L182 HydrophobicContact CD2-CD1 3.84Å; L162-V203 HydrophobicContact CD1-CG1 3.65Å; L162-F207 HydrophobicContact CB-CD1 4.24Å; L162-F207 HydrophobicContact CB-CD2 3.94Å; L162-F207 HydrophobicContact CB-CE1 4.07Å; L162-F207 HydrophobicContact CB-CE2 3.76Å; L162-F207 HydrophobicContact CB-CG 4.19Å; L162-F207 HydrophobicContact CB-CZ 3.84Å; L162-F207 HydrophobicContact CD1-CB 4.39Å; L162-F207 HydrophobicContact CD1-CD1 3.86Å; L162-F207 HydrophobicContact CD1-CE1 4.26Å; L162-F207 HydrophobicContact CD1-CG 4.07Å
163	Q	97.1	Very high	96.7	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.014	22%	0.215	C	C	.	.	H	α-helix	trans	-57.9	-38.6	178.8	-165.5	73.7	25.3	0	0	112	S159 Y160 G167 D168 F207 L210 Q213 A218	S159-Q163 PolarHBondContact O-N 3.27Å; Y160-Q163 PolarHBondContact O-N 3.44Å; Q163-G167 WeakPolarHBondContact O-CA 3.48Å; Q163-G167 PolarHBondContact O-N 2.69Å; Q163-G167 PolarHBondContact OE1-O 3.44Å; Q163-D168 PolarHBondContact NE2-OD1 2.85Å; Q163-F207 HydrophobicContact CB-CE2 4.23Å; Q163-F207 VanDerWaalsContact OE1-CE2 3.27Å; Q163-L210 HydrophobicContact CB-CB 4.49Å; Q163-L210 HydrophobicContact CB-CD1 3.92Å; Q163-L210 HydrophobicContact CG-CB 4.24Å; Q163-L210 HydrophobicContact CG-CD1 4.44Å; Q163-L210 PolarHBondContact NE2-O 2.91Å; Q163-Q213 HydrophobicContact CG-CB 4.35Å; Q163-Q213 PolarHBondContact NE2-O 3.34Å; Q163-A218 HydrophobicContact CB-CB 3.86Å; Q163-A218 HydrophobicContact CG-CB 3.9Å
164	E	95.7	Very high	96.6	Very high	30 Å²	30	37.3 Å²	37.3	14%	0.14	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-42.6	175.4	-168.6	-88.6	136.6	0	0	113.1	F135 K139 Y160 L162 R215 I219	F135-E164 HydrophobicContact CE1-CG 3.77Å; F135-E164 WeakPolarHBondContact CE1-OE2 3.39Å; F135-E164 HydrophobicContact CZ-CB 4.17Å; F135-E164 HydrophobicContact CZ-CG 3.76Å; K139-E164 IonicContact NZ-OE2 3.07Å; Y160-E164 WeakPolarHBondContact O-CB 3.22Å; Y160-E164 PolarHBondContact O-N 3.05Å; L162-E164 VanDerWaalsContact C-N 3.28Å; L162-E164 PolarHBondContact O-N 3.11Å; E164-R215 HydrophobicContact CG-CG 4.03Å; E164-R215 IonicContact OE1-CZ 3.93Å; E164-R215 VanDerWaalsContact OE1-CZ 3.24Å; E164-R215 IonicContact OE1-NE 2.66Å; E164-R215 PolarHBondContact OE1-NE 3.18Å; E164-R215 IonicContact OE1-NH2 3.72Å; E164-R215 PolarHBondContact OE1-NH2 2.96Å; E164-I219 HydrophobicContact CG-CD1 3.85Å; E164-I219 HydrophobicContact CG-CG1 3.6Å
165	A	94	Very high	96.6	Very high	48 Å²	48	37.2 Å²	37.2	40%	0.397	22%	0.216	S	C	.	.	H	α-helix	trans	-91.6	-17.7	-172	0	0	0	0	0	114.5	I161 L162 L182	I161-A165 VanDerWaalsContact O-CB 3.27Å; I161-A165 WeakPolarHBondContact O-CB 3.3Å; I161-A165 PolarHBondContact O-N 3.37Å; I161-A165 VanDerWaalsContact O-N 3.12Å; L162-A165 PolarHBondContact O-N 3.24Å; L162-A165 VanDerWaalsContact O-N 3.13Å; A165-L182 HydrophobicContact CB-CD1 4.41Å; A165-L182 HydrophobicContact CB-CD2 4.2Å
166	K	94.6	Very high	96.5	Very high	105 Å²	105	39.9 Å²	39.9	46%	0.457	23%	0.227	S	C	.	.	H	α-helix	trans	-131.4	-20.9	-169.7	-58	-66.2	174.7	153.9	0	114.7	L162 D178	L162-K166 WeakPolarHBondContact O-CA 3.14Å; L162-K166 VanDerWaalsContact O-CB 3.26Å; L162-K166 WeakPolarHBondContact O-CB 3.47Å; L162-K166 PolarHBondContact O-N 2.64Å; K166-D178 WeakPolarHBondContact CD-OD2 3.45Å; K166-D178 WeakPolarHBondContact CE-OD2 3.49Å; K166-D178 IonicContact NZ-OD1 2.77Å; K166-D178 PolarHBondContact NZ-OD1 2.83Å; K166-D178 IonicContact NZ-OD2 3.65Å; K166-D178 PolarHBondContact NZ-OD2 2.7Å
167	G	94.3	Very high	96.4	Very high	28 Å²	28	39.7 Å²	39.7	29%	0.289	23%	0.232	S	C	.	.			trans	75.6	-152.9	-165.2	0	0	0	0	0	111.2	Q163 F207	Q163-G167 WeakPolarHBondContact O-CA 3.48Å; Q163-G167 PolarHBondContact O-N 2.69Å; Q163-G167 PolarHBondContact OE1-O 3.44Å; G167-F207 WeakPolarHBondContact O-CE2 3.24Å; G167-F207 WeakPolarHBondContact O-CZ 3.11Å
168	D	95.5	Very high	96.2	Very high	80 Å²	80	40.9 Å²	40.9	43%	0.428	24%	0.238	S	C	.	.	S	Bend	trans	-63.6	153.8	-170.4	-63.8	-49	0	0	0	114.9	Q163 S170 S211 G212	Q163-D168 PolarHBondContact NE2-OD1 2.85Å; D168-S170 PolarHBondContact O-N 3.1Å; D168-S211 WeakPolarHBondContact OD1-CA 3.49Å; D168-G212 PolarHBondContact OD1-N 2.94Å
169	F	96.8	Very high	96.1	Very high	55 Å²	55	41.5 Å²	41.5	24%	0.241	24%	0.242	C	C	.	.			trans	-58.1	134.8	172.6	169.9	-88.9	0	0	0	111.7	S171 D172 I204 F207 K208	F169-S171 VanDerWaalsContact CE2-C 3.4Å; F169-S171 VanDerWaalsContact CZ-C 3.49Å; F169-S171 VanDerWaalsContact CZ-CA 3.49Å; F169-D172 WeakPolarHBondContact CE2-OD1 3.45Å; F169-D172 WeakPolarHBondContact CZ-OD1 3.23Å; F169-I204 HydrophobicContact CE2-CG2 4.25Å; F169-F207 HydrophobicContact CB-CD1 3.97Å; F169-F207 HydrophobicContact CB-CE1 3.91Å; F169-F207 HydrophobicContact CB-CE2 4.48Å; F169-F207 HydrophobicContact CB-CG 4.29Å; F169-F207 HydrophobicContact CB-CZ 4.16Å; F169-F207 AromaticContact CD2-CD1 3.72Å; F169-F207 HydrophobicContact CD2-CD1 3.72Å; F169-F207 AromaticContact CD2-CE1 4Å; F169-F207 HydrophobicContact CD2-CE1 4Å; F169-F207 HydrophobicContact CG-CD1 4.34Å; F169-F207 HydrophobicContact CG-CE1 4.45Å; F169-K208 HydrophobicContact CD1-CG 3.94Å; F169-K208 HydrophobicContact CD2-CG 3.9Å; F169-K208 HydrophobicContact CE1-CG 4.08Å; F169-K208 HydrophobicContact CE2-CD 4.43Å; F169-K208 HydrophobicContact CE2-CG 4.02Å; F169-K208 HydrophobicContact CG-CG 3.87Å; F169-K208 HydrophobicContact CZ-CD 4.33Å; F169-K208 HydrophobicContact CZ-CG 4.13Å
170	S	94.8	Very high	95.8	Very high	95 Å²	95	47.8 Å²	47.8	66%	0.664	27%	0.269	S	S	*	.			trans	-121.6	-51.6	-179.9	46.9	0	0	0	0	113	D168	D168-S170 PolarHBondContact O-N 3.1Å
171	S	96.9	Very high	95.5	Very high	53 Å²	53	53 Å²	53	37%	0.371	29%	0.292	S	S	.	.			trans	-154.8	158.3	171.4	72.9	0	0	0	0	112.4	F169 D173 A174 T175	F169-S171 VanDerWaalsContact CE2-C 3.4Å; F169-S171 VanDerWaalsContact CZ-C 3.49Å; F169-S171 VanDerWaalsContact CZ-CA 3.49Å; S171-D173 PolarHBondContact O-N 2.69Å; S171-A174 PolarHBondContact O-N 2.68Å; S171-A174 VanDerWaalsContact OG-CB 3.26Å; S171-A174 WeakPolarHBondContact OG-CB 3.37Å; S171-A174 PolarHBondContact OG-N 3.14Å; S171-T175 WeakPolarHBondContact O-CB 3.38Å; S171-T175 PolarHBondContact O-N 2.98Å; S171-T175 PolarHBondContact O-OG1 3.33Å
172	D	96.8	Very high	95.2	Very high	49 Å²	49	54.8 Å²	54.8	26%	0.262	30%	0.301	S	S	.	.	H	α-helix	trans	-60.9	-46.1	179.8	-69.3	17.6	0	0	0	110.6	F169 T175 R176 I204 K208	F169-D172 WeakPolarHBondContact CE2-OD1 3.45Å; F169-D172 WeakPolarHBondContact CZ-OD1 3.23Å; D172-T175 CarbonylContact O-C 3.54Å; D172-T175 WeakPolarHBondContact O-CA 3.49Å; D172-T175 WeakPolarHBondContact O-CB 3.4Å; D172-T175 PolarHBondContact O-N 3.18Å; D172-T175 VanDerWaalsContact O-N 3.12Å; D172-R176 WeakPolarHBondContact O-CG 3.46Å; D172-R176 PolarHBondContact O-N 2.85Å; D172-R176 IonicContact OD2-NH2 2.68Å; D172-I204 HydrophobicContact CB-CD1 4.13Å; D172-K208 VanDerWaalsContact CG-NZ 3.27Å; D172-K208 WeakPolarHBondContact OD1-CE 3.49Å; D172-K208 IonicContact OD1-NZ 3.06Å; D172-K208 PolarHBondContact OD1-NZ 3.01Å; D172-K208 IonicContact OD2-NZ 2.85Å; D172-K208 PolarHBondContact OD2-NZ 3.42Å
173	D	96.3	Very high	94.9	Very high	111 Å²	111	56.5 Å²	56.5	59%	0.594	31%	0.313	S	S	*	.	H	α-helix	trans	-73.1	-31	-177.1	-63.7	-40.5	0	0	0	113.8	S171 T175 R176 S177	S171-D173 PolarHBondContact O-N 2.69Å; D173-T175 VanDerWaalsContact C-N 3.32Å; D173-R176 IonicContact OD1-CZ 2.63Å; D173-R176 IonicContact OD1-NH1 3.41Å; D173-R176 PolarHBondContact OD1-NH1 2.87Å; D173-S177 WeakPolarHBondContact O-CB 3.23Å; D173-S177 PolarHBondContact O-N 3.19Å
174	A	95.3	Very high	94.6	Very high	33 Å²	33	56.7 Å²	56.7	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-62.7	-43.2	167.3	0	0	0	0	0	110.6	S171 S177 D178	S171-A174 PolarHBondContact O-N 2.68Å; S171-A174 VanDerWaalsContact OG-CB 3.26Å; S171-A174 WeakPolarHBondContact OG-CB 3.37Å; S171-A174 PolarHBondContact OG-N 3.14Å; A174-S177 WeakPolarHBondContact O-CB 3.27Å; A174-S177 PolarHBondContact O-N 3.49Å; A174-D178 PolarHBondContact O-N 3.42Å
175	T	96.5	Very high	94.5	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-47.6	177.2	-53	0	0	0	0	111.7	L162 S171 D172 D173 S177 D178 L179 I204 F207	L162-T175 HydrophobicContact CD1-CG2 3.51Å; L162-T175 HydrophobicContact CD2-CG2 4.25Å; S171-T175 WeakPolarHBondContact O-CB 3.38Å; S171-T175 PolarHBondContact O-N 2.98Å; S171-T175 PolarHBondContact O-OG1 3.33Å; D172-T175 CarbonylContact O-C 3.54Å; D172-T175 WeakPolarHBondContact O-CA 3.49Å; D172-T175 WeakPolarHBondContact O-CB 3.4Å; D172-T175 PolarHBondContact O-N 3.18Å; D172-T175 VanDerWaalsContact O-N 3.12Å; D173-T175 VanDerWaalsContact C-N 3.32Å; T175-S177 VanDerWaalsContact C-N 3.31Å; T175-S177 PolarHBondContact O-N 3.48Å; T175-D178 PolarHBondContact O-N 3.3Å; T175-D178 VanDerWaalsContact O-N 3.14Å; T175-L179 HydrophobicContact CG2-CD1 4.22Å; T175-L179 HydrophobicContact CG2-CG 4.48Å; T175-L179 WeakPolarHBondContact O-CG 3.43Å; T175-L179 PolarHBondContact O-N 3.4Å; T175-I204 HydrophobicContact CG2-CD1 4.37Å; T175-I204 HydrophobicContact CG2-CG1 3.59Å; T175-F207 HydrophobicContact CG2-CD1 3.67Å; T175-F207 HydrophobicContact CG2-CE1 4.01Å
176	R	96.3	Very high	94.4	Very high	56 Å²	56	54.3 Å²	54.3	21%	0.211	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-40.4	174.3	-66.1	-176.4	-171.8	110.2	4.8	111.7	D172 D173 D178 K180 E200 D201 I204	D172-R176 WeakPolarHBondContact O-CG 3.46Å; D172-R176 PolarHBondContact O-N 2.85Å; D172-R176 IonicContact OD2-NH2 2.68Å; D173-R176 IonicContact OD1-CZ 2.63Å; D173-R176 IonicContact OD1-NH1 3.41Å; D173-R176 PolarHBondContact OD1-NH1 2.87Å; R176-D178 VanDerWaalsContact C-N 3.31Å; R176-D178 PolarHBondContact O-N 2.92Å; R176-K180 WeakPolarHBondContact O-CD 3.48Å; R176-K180 WeakPolarHBondContact O-CE 3.15Å; R176-K180 WeakPolarHBondContact O-CG 3.39Å; R176-K180 PolarHBondContact O-N 2.87Å; R176-E200 WeakPolarHBondContact CB-OE2 3.45Å; R176-E200 WeakPolarHBondContact CD-OE2 3.19Å; R176-E200 HydrophobicContact CG-CB 4.17Å; R176-E200 VanDerWaalsContact CG-OE2 3.23Å; R176-E200 WeakPolarHBondContact CG-OE2 3.33Å; R176-D201 IonicContact CZ-OD1 3.16Å; R176-D201 IonicContact NE-OD1 2.72Å; R176-D201 PolarHBondContact NE-OD1 3.19Å; R176-D201 IonicContact NH2-OD1 2.76Å; R176-D201 PolarHBondContact NH2-OD1 2.86Å; R176-I204 HydrophobicContact CG-CD1 3.82Å
177	S	95.8	Very high	94.3	Very high	56 Å²	56	52.9 Å²	52.9	39%	0.392	30%	0.297	S	S	.	.	H	α-helix	trans	-63.4	-35.6	176.1	-175.8	0	0	0	0	112.2	D173 A174 T175 K181	D173-S177 WeakPolarHBondContact O-CB 3.23Å; D173-S177 PolarHBondContact O-N 3.19Å; A174-S177 WeakPolarHBondContact O-CB 3.27Å; A174-S177 PolarHBondContact O-N 3.49Å; T175-S177 VanDerWaalsContact C-N 3.31Å; T175-S177 PolarHBondContact O-N 3.48Å; S177-K181 WeakPolarHBondContact O-CE 3.45Å; S177-K181 PolarHBondContact O-NZ 2.87Å; S177-K181 PolarHBondContact OG-NZ 2.83Å
178	D	95.1	Very high	94	Very high	28 Å²	28	56 Å²	56	15%	0.15	30%	0.304	C	S	.	.	H	α-helix	trans	-88.1	-31.7	-178.1	-78.5	-29.6	0	0	0	114.5	L162 K166 A174 T175 R176 K180 K181 L182	L162-D178 HydrophobicContact CD2-CB 4.33Å; K166-D178 WeakPolarHBondContact CD-OD2 3.45Å; K166-D178 WeakPolarHBondContact CE-OD2 3.49Å; K166-D178 IonicContact NZ-OD1 2.77Å; K166-D178 PolarHBondContact NZ-OD1 2.83Å; K166-D178 IonicContact NZ-OD2 3.65Å; K166-D178 PolarHBondContact NZ-OD2 2.7Å; A174-D178 PolarHBondContact O-N 3.42Å; T175-D178 PolarHBondContact O-N 3.3Å; T175-D178 VanDerWaalsContact O-N 3.14Å; R176-D178 VanDerWaalsContact C-N 3.31Å; R176-D178 PolarHBondContact O-N 2.92Å; D178-K180 PolarHBondContact O-N 2.67Å; D178-K181 PolarHBondContact O-N 3.02Å; D178-K181 IonicContact OD1-NZ 3.16Å; D178-K181 PolarHBondContact OD1-NZ 3.36Å; D178-L182 WeakPolarHBondContact O-CG 3.32Å; D178-L182 PolarHBondContact O-N 3.09Å
179	L	94.6	Very high	93.7	Very high	14 Å²	14	52.3 Å²	52.3	7%	0.073	28%	0.284	C	S	.	.	H	α-helix	trans	-56.5	-37.8	168.2	-77.8	171.4	0	0	0	111.7	L162 T175 K181 L182 A184 E200 V203	L162-L179 HydrophobicContact CD1-CD1 4.35Å; L162-L179 HydrophobicContact CD1-CD2 3.8Å; L162-L179 HydrophobicContact CD1-CG 4.01Å; L162-L179 HydrophobicContact CD2-CD2 4.23Å; L162-L179 HydrophobicContact CD2-CG 4.24Å; L162-L179 HydrophobicContact CG-CD2 4.07Å; L162-L179 HydrophobicContact CG-CG 4.47Å; T175-L179 HydrophobicContact CG2-CD1 4.22Å; T175-L179 HydrophobicContact CG2-CG 4.48Å; T175-L179 WeakPolarHBondContact O-CG 3.43Å; T175-L179 PolarHBondContact O-N 3.4Å; L179-K181 PolarHBondContact O-N 2.88Å; L179-K181 VanDerWaalsContact O-N 3.1Å; L179-L182 PolarHBondContact O-N 2.96Å; L179-A184 HydrophobicContact CD2-CB 4.15Å; L179-E200 HydrophobicContact CD1-CB 4.4Å; L179-E200 HydrophobicContact CD1-CG 4.17Å; L179-V203 HydrophobicContact CD1-CB 4.09Å; L179-V203 HydrophobicContact CD1-CG1 4Å; L179-V203 HydrophobicContact CD2-CG1 4.05Å
180	K	92.8	Very high	93.4	Very high	132 Å²	132	52.6 Å²	52.6	57%	0.574	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-10.2	175.4	-72.1	158.7	-161.9	162.6	0	114.4	R176 D178 E200	R176-K180 WeakPolarHBondContact O-CD 3.48Å; R176-K180 WeakPolarHBondContact O-CE 3.15Å; R176-K180 WeakPolarHBondContact O-CG 3.39Å; R176-K180 PolarHBondContact O-N 2.87Å; D178-K180 PolarHBondContact O-N 2.67Å; K180-E200 WeakPolarHBondContact CE-OE1 3.42Å; K180-E200 IonicContact NZ-OE1 3.61Å; K180-E200 PolarHBondContact NZ-OE1 3Å; K180-E200 VanDerWaalsContact NZ-OE1 3.16Å; K180-E200 IonicContact NZ-OE2 3.88Å; K180-E200 PolarHBondContact NZ-OE2 3.16Å
181	K	92.2	Very high	93.2	Very high	131 Å²	131	55.5 Å²	55.5	57%	0.57	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-9.9	179.9	-57	166.9	-158.4	137.4	0	113	S177 D178 L179	S177-K181 WeakPolarHBondContact O-CE 3.45Å; S177-K181 PolarHBondContact O-NZ 2.87Å; S177-K181 PolarHBondContact OG-NZ 2.83Å; D178-K181 PolarHBondContact O-N 3.02Å; D178-K181 IonicContact OD1-NZ 3.16Å; D178-K181 PolarHBondContact OD1-NZ 3.36Å; L179-K181 PolarHBondContact O-N 2.88Å; L179-K181 VanDerWaalsContact O-N 3.1Å
182	L	91.1	Very high	93	Very high	39 Å²	39	57.8 Å²	57.8	20%	0.204	29%	0.294	C	S	.	.	S	Bend	trans	-111.8	137.8	-172	-69.4	168.9	0	0	0	111.1	I161 L162 A165 D178 L179 A184	I161-L182 HydrophobicContact CG2-CD1 4.47Å; L162-L182 HydrophobicContact CD2-CD1 3.84Å; A165-L182 HydrophobicContact CB-CD1 4.41Å; A165-L182 HydrophobicContact CB-CD2 4.2Å; D178-L182 WeakPolarHBondContact O-CG 3.32Å; D178-L182 PolarHBondContact O-N 3.09Å; L179-L182 PolarHBondContact O-N 2.96Å; L182-A184 HydrophobicContact CB-CB 4.28Å; L182-A184 PolarHBondContact O-N 3.45Å
183	P	90.3	Very high	92.8	Very high	38 Å²	38	57.9 Å²	57.9	25%	0.247	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	65.8	172.4	33.1	-35	0	0	0	110.3	Y143	Y143-P183 HydrophobicContact CD1-CB 3.69Å; Y143-P183 VanDerWaalsContact CD2-C 3.42Å; Y143-P183 HydrophobicContact CD2-CB 3.88Å; Y143-P183 HydrophobicContact CE1-CB 3.73Å; Y143-P183 HydrophobicContact CE2-CB 3.92Å; Y143-P183 HydrophobicContact CG-CB 3.77Å
184	A	90.8	Very high	92.5	Very high	7 Å²	7	58.1 Å²	58.1	6%	0.058	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-37	-172.9	0	0	0	0	0	113.3	A158 I161 L179 L182	A158-A184 HydrophobicContact CB-CB 4Å; I161-A184 HydrophobicContact CB-CB 4.48Å; I161-A184 HydrophobicContact CD1-CB 4.18Å; I161-A184 HydrophobicContact CG2-CB 4.21Å; L179-A184 HydrophobicContact CD2-CB 4.15Å; L182-A184 HydrophobicContact CB-CB 4.28Å; L182-A184 PolarHBondContact O-N 3.45Å
185	L	93.1	Very high	92.4	Very high	20 Å²	20	59 Å²	59	11%	0.105	31%	0.305	C	S	.	.	S	Bend	trans	-107.8	116.7	-177.8	-66.7	177.3	0	0	0	111.3	Y143 V154 F155 A158 L190 C199 V203	Y143-L185 WeakPolarHBondContact CE2-O 3.41Å; V154-L185 HydrophobicContact CG1-CD2 4.05Å; F155-L185 HydrophobicContact CD1-CD2 3.88Å; F155-L185 HydrophobicContact CE1-CD2 4.23Å; A158-L185 HydrophobicContact CB-CD2 3.92Å; L185-L190 HydrophobicContact CB-CD1 4.41Å; L185-L190 HydrophobicContact CB-CD2 4.28Å; L185-L190 HydrophobicContact CB-CG 4.33Å; L185-L190 HydrophobicContact CD1-CD2 4.03Å; L185-C199 HydrophobicContact CD1-CB 4.22Å; L185-V203 HydrophobicContact CD2-CG2 3.96Å
186	P	93.3	Very high	92.2	Very high	7 Å²	7	62.9 Å²	62.9	5%	0.045	33%	0.325	C	S	.	.			trans	-63.2	157.1	170.9	-16.6	30	0	0	0	112.3	I142 E145 V154 Q188 A189 L190	I142-P186 HydrophobicContact CG2-CG 4.3Å; I142-P186 WeakPolarHBondContact O-CG 3.38Å; E145-P186 HydrophobicContact CG-CB 3.83Å; V154-P186 HydrophobicContact CG1-CG 4.08Å; V154-P186 HydrophobicContact CG2-CG 4.45Å; P186-Q188 VanDerWaalsContact C-N 3.34Å; P186-Q188 PolarHBondContact O-N 3.04Å; P186-A189 PolarHBondContact O-N 3.29Å; P186-L190 WeakPolarHBondContact O-CG 3.15Å; P186-L190 PolarHBondContact O-N 3.33Å
187	T	91.5	Very high	92.1	Very high	75 Å²	75	62.5 Å²	62.5	46%	0.46	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-28	-178.7	-53.2	0	0	0	0	112.3	E145 K191	E145-T187 VanDerWaalsContact OE1-CA 3.25Å; E145-T187 WeakPolarHBondContact OE1-CA 3.5Å; E145-T187 VanDerWaalsContact OE1-CB 3.29Å; E145-T187 WeakPolarHBondContact OE1-CB 3.28Å; E145-T187 PolarHBondContact OE1-N 2.69Å; T187-K191 HydrophobicContact CG2-CD 4.49Å; T187-K191 WeakPolarHBondContact O-CD 3.45Å; T187-K191 WeakPolarHBondContact O-CG 3.25Å; T187-K191 PolarHBondContact O-N 2.7Å
188	Q	88.8	Confident	92.1	Very high	93 Å²	93	64.2 Å²	64.2	44%	0.435	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-50.3	173.5	178.1	172.4	-21.8	0	0	111.6	E145 P186 L190 K191 E192	E145-Q188 HydrophobicContact CG-CB 4.38Å; E145-Q188 PolarHBondContact OE1-N 3.43Å; P186-Q188 VanDerWaalsContact C-N 3.34Å; P186-Q188 PolarHBondContact O-N 3.04Å; Q188-L190 VanDerWaalsContact C-N 3.26Å; Q188-L190 PolarHBondContact O-N 3.01Å; Q188-K191 WeakPolarHBondContact O-CA 3.47Å; Q188-K191 WeakPolarHBondContact O-CB 3.24Å; Q188-K191 PolarHBondContact O-N 3.34Å; Q188-E192 HydrophobicContact CG-CG 4.45Å; Q188-E192 VanDerWaalsContact CG-OE1 3.3Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.21Å; Q188-E192 PolarHBondContact NE2-OE1 2.88Å; Q188-E192 PolarHBondContact O-N 2.93Å; Q188-E192 VanDerWaalsContact O-N 3.16Å
189	A	89.2	Confident	92.2	Very high	3 Å²	3	62.9 Å²	62.9	3%	0.025	33%	0.325	C	S	.	.	H	α-helix	trans	-58.5	-40.2	178.6	0	0	0	0	0	111.7	S151 V154 P186 K191 E192 H193	S151-A189 WeakPolarHBondContact OG-CA 3.22Å; S151-A189 WeakPolarHBondContact OG-CB 3.32Å; V154-A189 HydrophobicContact CG1-CB 4.01Å; P186-A189 PolarHBondContact O-N 3.29Å; A189-K191 PolarHBondContact O-N 2.8Å; A189-K191 VanDerWaalsContact O-N 3.16Å; A189-E192 PolarHBondContact O-N 3.28Å; A189-H193 PolarHBondContact O-CD2 3.28Å
190	L	90	Very high	92.2	Very high	61 Å²	61	62.6 Å²	62.6	32%	0.319	32%	0.323	S	S	.	.	H	α-helix	trans	-67	-10.3	175.1	-63.8	178.6	0	0	0	114.9	L185 P186 Q188 L196 C199	L185-L190 HydrophobicContact CB-CD1 4.41Å; L185-L190 HydrophobicContact CB-CD2 4.28Å; L185-L190 HydrophobicContact CB-CG 4.33Å; L185-L190 HydrophobicContact CD1-CD2 4.03Å; P186-L190 WeakPolarHBondContact O-CG 3.15Å; P186-L190 PolarHBondContact O-N 3.33Å; Q188-L190 VanDerWaalsContact C-N 3.26Å; Q188-L190 PolarHBondContact O-N 3.01Å; L190-L196 HydrophobicContact CD1-CD1 4.43Å; L190-L196 HydrophobicContact CD2-CD1 3.56Å; L190-C199 HydrophobicContact CD2-CB 3.86Å
191	K	91.3	Very high	92.5	Very high	156 Å²	156	59.7 Å²	59.7	68%	0.678	31%	0.314	S	S	*	.	H	α-helix	trans	-101.8	-22.4	175.2	-70.6	163	179.1	158.6	0	113.6	T187 Q188 A189 H193	T187-K191 HydrophobicContact CG2-CD 4.49Å; T187-K191 WeakPolarHBondContact O-CD 3.45Å; T187-K191 WeakPolarHBondContact O-CG 3.25Å; T187-K191 PolarHBondContact O-N 2.7Å; Q188-K191 WeakPolarHBondContact O-CA 3.47Å; Q188-K191 WeakPolarHBondContact O-CB 3.24Å; Q188-K191 PolarHBondContact O-N 3.34Å; A189-K191 PolarHBondContact O-N 2.8Å; A189-K191 VanDerWaalsContact O-N 3.16Å; K191-H193 VanDerWaalsContact C-N 3.28Å
192	E	91.9	Very high	92.7	Very high	101 Å²	101	56.3 Å²	56.3	47%	0.472	30%	0.297	S	S	.	.	H	α-helix	trans	-77.2	-16.8	-179.2	-73.4	174.5	-176.7	0	0	112.6	S151 Q188 A189	S151-E192 PolarHBondContact OG-OE2 3Å; Q188-E192 HydrophobicContact CG-CG 4.45Å; Q188-E192 VanDerWaalsContact CG-OE1 3.3Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.21Å; Q188-E192 PolarHBondContact NE2-OE1 2.88Å; Q188-E192 PolarHBondContact O-N 2.93Å; Q188-E192 VanDerWaalsContact O-N 3.16Å; A189-E192 PolarHBondContact O-N 3.28Å
193	H	92.3	Very high	93.1	Very high	51 Å²	51	54.5 Å²	54.5	24%	0.236	29%	0.288	C	S	.	.	S	Bend	trans	-119.1	159.8	-170.6	-70.6	-73.3	0	0	0	113.7	S151 F155 A189 K191 S195 Y198	S151-H193 WeakPolarHBondContact CB-NE2 3.43Å; S151-H193 PolarHBondContact OG-NE2 3.35Å; F155-H193 AromaticContact CZ-CD2 3.68Å; F155-H193 AromaticContact CZ-NE2 3.94Å; A189-H193 PolarHBondContact O-CD2 3.28Å; K191-H193 VanDerWaalsContact C-N 3.28Å; H193-S195 VanDerWaalsContact C-N 3.32Å; H193-S195 PolarHBondContact O-N 3.21Å; H193-Y198 HydrophobicContact CB-CD1 3.78Å; H193-Y198 HydrophobicContact CB-CE1 4.11Å; H193-Y198 AromaticContact CG-CD1 3.98Å; H193-Y198 AromaticContact CG-CE1 3.8Å; H193-Y198 AromaticContact ND1-CD1 3.92Å; H193-Y198 AromaticContact ND1-CE1 3.31Å; H193-Y198 VanDerWaalsContact ND1-CE1 3.31Å; H193-Y198 WeakPolarHBondContact ND1-CE1 3.2Å
194	P	90.6	Very high	93.4	Very high	117 Å²	117	52.8 Å²	52.8	76%	0.76	28%	0.277	S	S	*	.	S	Bend	trans	-66.3	-25.8	-167.9	-23.7	35.3	0	0	0	115.7
195	S	93.1	Very high	93.8	Very high	52 Å²	52	56.3 Å²	56.3	36%	0.364	29%	0.292	S	S	.	.			trans	-162	160.2	179.2	72.1	0	0	0	0	112.3	H193 A197 Y198 C199	H193-S195 VanDerWaalsContact C-N 3.32Å; H193-S195 PolarHBondContact O-N 3.21Å; S195-A197 VanDerWaalsContact C-N 3.25Å; S195-A197 PolarHBondContact O-N 3.21Å; S195-A197 PolarHBondContact OG-N 2.84Å; S195-Y198 PolarHBondContact O-N 2.89Å; S195-Y198 PolarHBondContact OG-N 3.37Å; S195-Y198 VanDerWaalsContact OG-N 3.07Å; S195-C199 PolarHBondContact O-N 3.4Å
196	L	92.6	Very high	94	Very high	84 Å²	84	56.5 Å²	56.5	44%	0.44	29%	0.292	S	S	.	.	H	α-helix	trans	-59	-37.8	169.4	173.8	62.6	0	0	0	111.7	L190 Y198 C199 E200	L190-L196 HydrophobicContact CD1-CD1 4.43Å; L190-L196 HydrophobicContact CD2-CD1 3.56Å; L196-Y198 VanDerWaalsContact C-N 3.34Å; L196-Y198 PolarHBondContact O-N 3.4Å; L196-C199 WeakPolarHBondContact O-CB 3Å; L196-C199 PolarHBondContact O-N 2.69Å; L196-C199 VanDerWaalsContact O-N 3.16Å; L196-E200 HydrophobicContact CD1-CG 4.21Å; L196-E200 HydrophobicContact CG-CG 4.32Å; L196-E200 WeakPolarHBondContact CG-OE1 3.39Å; L196-E200 WeakPolarHBondContact O-CG 3.39Å; L196-E200 PolarHBondContact O-N 2.97Å
197	A	94.1	Very high	94.2	Very high	48 Å²	48	56.4 Å²	56.4	40%	0.397	29%	0.291	S	S	.	.	H	α-helix	trans	-61.3	-42.4	178.5	0	0	0	0	0	111.7	S195 C199 E200 D201	S195-A197 VanDerWaalsContact C-N 3.25Å; S195-A197 PolarHBondContact O-N 3.21Å; S195-A197 PolarHBondContact OG-N 2.84Å; A197-C199 VanDerWaalsContact C-N 3.32Å; A197-C199 PolarHBondContact O-N 3.4Å; A197-E200 PolarHBondContact O-N 3.46Å; A197-D201 WeakPolarHBondContact O-CB 3.42Å; A197-D201 PolarHBondContact O-N 2.98Å
198	Y	95.6	Very high	94.5	Very high	91 Å²	91	57.2 Å²	57.2	36%	0.357	29%	0.288	S	S	.	.	H	α-helix	trans	-58.2	-43.8	173.6	175.2	-87.9	0	0	0	111.9	F155 H193 S195 L196 D201 R202	F155-Y198 HydrophobicContact CE2-CE1 4.46Å; H193-Y198 HydrophobicContact CB-CD1 3.78Å; H193-Y198 HydrophobicContact CB-CE1 4.11Å; H193-Y198 AromaticContact CG-CD1 3.98Å; H193-Y198 AromaticContact CG-CE1 3.8Å; H193-Y198 AromaticContact ND1-CD1 3.92Å; H193-Y198 AromaticContact ND1-CE1 3.31Å; H193-Y198 VanDerWaalsContact ND1-CE1 3.31Å; H193-Y198 WeakPolarHBondContact ND1-CE1 3.2Å; S195-Y198 PolarHBondContact O-N 2.89Å; S195-Y198 PolarHBondContact OG-N 3.37Å; S195-Y198 VanDerWaalsContact OG-N 3.07Å; L196-Y198 VanDerWaalsContact C-N 3.34Å; L196-Y198 PolarHBondContact O-N 3.4Å; Y198-D201 PolarHBondContact O-N 2.99Å; Y198-R202 HydrophobicContact CD1-CG 4.25Å; Y198-R202 HydrophobicContact CE1-CG 3.8Å; Y198-R202 HydrophobicContact CE2-CG 4.31Å; Y198-R202 VanDerWaalsContact O-CG 3.32Å; Y198-R202 WeakPolarHBondContact O-CG 3.39Å; Y198-R202 PolarHBondContact O-N 2.84Å
199	C	96.3	Very high	95	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.9	-43.5	175.6	-61.6	0	0	0	0	112.2	F155 L185 L190 S195 L196 A197 D201 R202 V203	F155-C199 HydrophobicContact CE1-CB 3.73Å; F155-C199 HydrophobicContact CZ-CB 4.17Å; L185-C199 HydrophobicContact CD1-CB 4.22Å; L190-C199 HydrophobicContact CD2-CB 3.86Å; S195-C199 PolarHBondContact O-N 3.4Å; L196-C199 WeakPolarHBondContact O-CB 3Å; L196-C199 PolarHBondContact O-N 2.69Å; L196-C199 VanDerWaalsContact O-N 3.16Å; A197-C199 VanDerWaalsContact C-N 3.32Å; A197-C199 PolarHBondContact O-N 3.4Å; C199-D201 VanDerWaalsContact C-N 3.33Å; C199-D201 PolarHBondContact O-N 2.91Å; C199-R202 PolarHBondContact O-N 3.27Å; C199-V203 WeakPolarHBondContact O-CG2 3.08Å; C199-V203 PolarHBondContact O-N 3.33Å; C199-V203 VanDerWaalsContact O-N 3.11Å
200	E	96.5	Very high	95.3	Very high	9 Å²	9	58.4 Å²	58.4	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-58.5	-44.9	174.8	-74.6	175.7	-170.5	0	0	111.2	R176 L179 K180 L196 A197 V203 I204	R176-E200 WeakPolarHBondContact CB-OE2 3.45Å; R176-E200 WeakPolarHBondContact CD-OE2 3.19Å; R176-E200 HydrophobicContact CG-CB 4.17Å; R176-E200 VanDerWaalsContact CG-OE2 3.23Å; R176-E200 WeakPolarHBondContact CG-OE2 3.33Å; L179-E200 HydrophobicContact CD1-CB 4.4Å; L179-E200 HydrophobicContact CD1-CG 4.17Å; K180-E200 WeakPolarHBondContact CE-OE1 3.42Å; K180-E200 IonicContact NZ-OE1 3.61Å; K180-E200 PolarHBondContact NZ-OE1 3Å; K180-E200 VanDerWaalsContact NZ-OE1 3.16Å; K180-E200 IonicContact NZ-OE2 3.88Å; K180-E200 PolarHBondContact NZ-OE2 3.16Å; L196-E200 HydrophobicContact CD1-CG 4.21Å; L196-E200 HydrophobicContact CG-CG 4.32Å; L196-E200 WeakPolarHBondContact CG-OE1 3.39Å; L196-E200 WeakPolarHBondContact O-CG 3.39Å; L196-E200 PolarHBondContact O-N 2.97Å; A197-E200 PolarHBondContact O-N 3.46Å; E200-V203 PolarHBondContact O-N 3.45Å; E200-I204 WeakPolarHBondContact O-CB 3.22Å; E200-I204 WeakPolarHBondContact O-CD1 3.48Å; E200-I204 VanDerWaalsContact O-CG1 3.25Å; E200-I204 WeakPolarHBondContact O-CG1 3.47Å; E200-I204 PolarHBondContact O-N 2.87Å
201	D	97.3	Very high	95.6	Very high	70 Å²	70	59.6 Å²	59.6	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-68.4	-37.6	-178.5	-65.6	-20.8	0	0	0	112.4	R176 A197 Y198 C199 I204 E205	R176-D201 IonicContact CZ-OD1 3.16Å; R176-D201 IonicContact NE-OD1 2.72Å; R176-D201 PolarHBondContact NE-OD1 3.19Å; R176-D201 IonicContact NH2-OD1 2.76Å; R176-D201 PolarHBondContact NH2-OD1 2.86Å; A197-D201 WeakPolarHBondContact O-CB 3.42Å; A197-D201 PolarHBondContact O-N 2.98Å; Y198-D201 PolarHBondContact O-N 2.99Å; C199-D201 VanDerWaalsContact C-N 3.33Å; C199-D201 PolarHBondContact O-N 2.91Å; D201-I204 PolarHBondContact O-N 3.28Å; D201-E205 PolarHBondContact O-N 3.14Å
202	R	97.9	Very high	95.7	Very high	61 Å²	61	55.2 Å²	55.2	23%	0.23	31%	0.305	C	S	.	.	H	α-helix	trans	-65.8	-37.4	172.9	-68.4	-67	-73.6	168	-9.5	112.4	E152 F155 Y198 C199 E205 H206	E152-R202 IonicContact OE1-CZ 3.86Å; E152-R202 IonicContact OE1-NH2 3.81Å; E152-R202 PolarHBondContact OE1-NH2 3.43Å; E152-R202 IonicContact OE2-CZ 3.48Å; E152-R202 IonicContact OE2-NE 3.97Å; E152-R202 PolarHBondContact OE2-NE 3.42Å; E152-R202 IonicContact OE2-NH2 2.78Å; E152-R202 PolarHBondContact OE2-NH2 2.96Å; F155-R202 HydrophobicContact CB-CB 4.27Å; F155-R202 HydrophobicContact CD2-CB 3.61Å; F155-R202 HydrophobicContact CD2-CG 4.18Å; F155-R202 HydrophobicContact CE2-CB 4.09Å; F155-R202 HydrophobicContact CE2-CG 4.26Å; F155-R202 HydrophobicContact CG-CB 3.95Å; Y198-R202 HydrophobicContact CD1-CG 4.25Å; Y198-R202 HydrophobicContact CE1-CG 3.8Å; Y198-R202 HydrophobicContact CE2-CG 4.31Å; Y198-R202 VanDerWaalsContact O-CG 3.32Å; Y198-R202 WeakPolarHBondContact O-CG 3.39Å; Y198-R202 PolarHBondContact O-N 2.84Å; C199-R202 PolarHBondContact O-N 3.27Å; R202-E205 IonicContact CZ-OE2 2.8Å; R202-E205 IonicContact NH1-OE1 2.66Å; R202-E205 IonicContact NH1-OE2 3.39Å; R202-E205 PolarHBondContact NH1-OE2 3.39Å; R202-E205 PolarHBondContact O-N 3Å; R202-H206 PolarHBondContact O-CD2 3.32Å; R202-H206 PolarHBondContact O-N 3.33Å
203	V	98.1	Very high	95.9	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.3	-41.3	172.9	178.2	0	0	0	0	111.2	F155 A158 L162 L179 L185 C199 E200 E205 H206 F207	F155-V203 HydrophobicContact CB-CG2 3.95Å; F155-V203 HydrophobicContact CD1-CG2 4Å; F155-V203 HydrophobicContact CG-CG2 4.34Å; A158-V203 HydrophobicContact CB-CG1 3.95Å; A158-V203 HydrophobicContact CB-CG2 3.79Å; L162-V203 HydrophobicContact CD1-CG1 3.65Å; L179-V203 HydrophobicContact CD1-CB 4.09Å; L179-V203 HydrophobicContact CD1-CG1 4Å; L179-V203 HydrophobicContact CD2-CG1 4.05Å; L185-V203 HydrophobicContact CD2-CG2 3.96Å; C199-V203 WeakPolarHBondContact O-CG2 3.08Å; C199-V203 PolarHBondContact O-N 3.33Å; C199-V203 VanDerWaalsContact O-N 3.11Å; E200-V203 PolarHBondContact O-N 3.45Å; V203-E205 VanDerWaalsContact C-N 3.34Å; V203-E205 PolarHBondContact O-N 3.37Å; V203-H206 PolarHBondContact O-N 2.85Å; V203-F207 WeakPolarHBondContact O-CB 3.23Å; V203-F207 PolarHBondContact O-N 3.43Å
204	I	98.1	Very high	96.1	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.015	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-41.6	175.8	-74.1	161.6	0	0	0	111.3	F169 D172 T175 R176 E200 D201 H206 F207 K208	F169-I204 HydrophobicContact CE2-CG2 4.25Å; D172-I204 HydrophobicContact CB-CD1 4.13Å; T175-I204 HydrophobicContact CG2-CD1 4.37Å; T175-I204 HydrophobicContact CG2-CG1 3.59Å; R176-I204 HydrophobicContact CG-CD1 3.82Å; E200-I204 WeakPolarHBondContact O-CB 3.22Å; E200-I204 WeakPolarHBondContact O-CD1 3.48Å; E200-I204 VanDerWaalsContact O-CG1 3.25Å; E200-I204 WeakPolarHBondContact O-CG1 3.47Å; E200-I204 PolarHBondContact O-N 2.87Å; D201-I204 PolarHBondContact O-N 3.28Å; I204-H206 VanDerWaalsContact C-N 3.31Å; I204-H206 PolarHBondContact O-N 2.82Å; I204-F207 PolarHBondContact O-N 2.9Å; I204-K208 HydrophobicContact CG2-CD 3.93Å; I204-K208 VanDerWaalsContact CG2-CE 3.43Å; I204-K208 HydrophobicContact CG2-CG 4.47Å; I204-K208 VanDerWaalsContact CG2-NZ 3.33Å; I204-K208 WeakPolarHBondContact O-CG 3.35Å; I204-K208 PolarHBondContact O-N 3.25Å
205	E	97.9	Very high	96.4	Very high	81 Å²	81	49.7 Å²	49.7	38%	0.379	27%	0.271	S	S	.	.	H	α-helix	trans	-58.2	-43.3	176.2	-166.2	-151.8	119.8	0	0	111.5	D201 R202 V203 K209	D201-E205 PolarHBondContact O-N 3.14Å; R202-E205 IonicContact CZ-OE2 2.8Å; R202-E205 IonicContact NH1-OE1 2.66Å; R202-E205 IonicContact NH1-OE2 3.39Å; R202-E205 PolarHBondContact NH1-OE2 3.39Å; R202-E205 PolarHBondContact O-N 3Å; V203-E205 VanDerWaalsContact C-N 3.34Å; V203-E205 PolarHBondContact O-N 3.37Å; E205-K209 WeakPolarHBondContact O-CE 3.49Å; E205-K209 WeakPolarHBondContact O-CG 3.21Å; E205-K209 IonicContact OE1-NZ 3.61Å; E205-K209 PolarHBondContact OE1-NZ 2.9Å
206	H	98.1	Very high	96.6	Very high	24 Å²	24	47.2 Å²	47.2	11%	0.111	25%	0.254	C	S	.	.	H	α-helix	trans	-72	-41.4	174.9	-70.9	-53.8	0	0	0	112.8	E152 R202 V203 I204 K208 K209	E152-H206 IonicContact OE1-CD2 3.73Å; E152-H206 IonicContact OE1-CE1 2.67Å; E152-H206 PolarHBondContact OE1-CE1 3.31Å; E152-H206 IonicContact OE1-NE2 3.42Å; E152-H206 PolarHBondContact OE1-NE2 3.42Å; R202-H206 PolarHBondContact O-CD2 3.32Å; R202-H206 PolarHBondContact O-N 3.33Å; V203-H206 PolarHBondContact O-N 2.85Å; I204-H206 VanDerWaalsContact C-N 3.31Å; I204-H206 PolarHBondContact O-N 2.82Å; H206-K208 VanDerWaalsContact C-N 3.32Å; H206-K208 PolarHBondContact O-N 3.28Å; H206-K209 PolarHBondContact CE1-NZ 2.94Å; H206-K209 PolarHBondContact ND1-NZ 3.17Å; H206-K209 VanDerWaalsContact O-CB 3.32Å; H206-K209 WeakPolarHBondContact O-CB 3.27Å; H206-K209 PolarHBondContact O-N 3.25Å
207	F	98.2	Very high	96.8	Very high	4 Å²	4	46 Å²	46	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-37.3	-179	-175.1	-145.8	0	0	0	112.4	L162 Q163 G167 F169 T175 V203 I204 K209 L210	L162-F207 HydrophobicContact CB-CD1 4.24Å; L162-F207 HydrophobicContact CB-CD2 3.94Å; L162-F207 HydrophobicContact CB-CE1 4.07Å; L162-F207 HydrophobicContact CB-CE2 3.76Å; L162-F207 HydrophobicContact CB-CG 4.19Å; L162-F207 HydrophobicContact CB-CZ 3.84Å; L162-F207 HydrophobicContact CD1-CB 4.39Å; L162-F207 HydrophobicContact CD1-CD1 3.86Å; L162-F207 HydrophobicContact CD1-CE1 4.26Å; L162-F207 HydrophobicContact CD1-CG 4.07Å; Q163-F207 HydrophobicContact CB-CE2 4.23Å; Q163-F207 VanDerWaalsContact OE1-CE2 3.27Å; G167-F207 WeakPolarHBondContact O-CE2 3.24Å; G167-F207 WeakPolarHBondContact O-CZ 3.11Å; F169-F207 HydrophobicContact CB-CD1 3.97Å; F169-F207 HydrophobicContact CB-CE1 3.91Å; F169-F207 HydrophobicContact CB-CE2 4.48Å; F169-F207 HydrophobicContact CB-CG 4.29Å; F169-F207 HydrophobicContact CB-CZ 4.16Å; F169-F207 AromaticContact CD2-CD1 3.72Å; F169-F207 HydrophobicContact CD2-CD1 3.72Å; F169-F207 AromaticContact CD2-CE1 4Å; F169-F207 HydrophobicContact CD2-CE1 4Å; F169-F207 HydrophobicContact CG-CD1 4.34Å; F169-F207 HydrophobicContact CG-CE1 4.45Å; T175-F207 HydrophobicContact CG2-CD1 3.67Å; T175-F207 HydrophobicContact CG2-CE1 4.01Å; V203-F207 WeakPolarHBondContact O-CB 3.23Å; V203-F207 PolarHBondContact O-N 3.43Å; I204-F207 PolarHBondContact O-N 2.9Å; F207-K209 PolarHBondContact O-N 3.37Å; F207-K209 VanDerWaalsContact O-N 3.16Å; F207-L210 WeakPolarHBondContact O-CB 3.42Å; F207-L210 PolarHBondContact O-N 2.93Å
208	K	97.8	Very high	97	Very high	92 Å²	92	43.7 Å²	43.7	40%	0.4	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-59	-24.3	172.4	-75.5	167.3	177.7	167.1	0	113.5	F169 D172 I204 H206	F169-K208 HydrophobicContact CD1-CG 3.94Å; F169-K208 HydrophobicContact CD2-CG 3.9Å; F169-K208 HydrophobicContact CE1-CG 4.08Å; F169-K208 HydrophobicContact CE2-CD 4.43Å; F169-K208 HydrophobicContact CE2-CG 4.02Å; F169-K208 HydrophobicContact CG-CG 3.87Å; F169-K208 HydrophobicContact CZ-CD 4.33Å; F169-K208 HydrophobicContact CZ-CG 4.13Å; D172-K208 VanDerWaalsContact CG-NZ 3.27Å; D172-K208 WeakPolarHBondContact OD1-CE 3.49Å; D172-K208 IonicContact OD1-NZ 3.06Å; D172-K208 PolarHBondContact OD1-NZ 3.01Å; D172-K208 IonicContact OD2-NZ 2.85Å; D172-K208 PolarHBondContact OD2-NZ 3.42Å; I204-K208 HydrophobicContact CG2-CD 3.93Å; I204-K208 VanDerWaalsContact CG2-CE 3.43Å; I204-K208 HydrophobicContact CG2-CG 4.47Å; I204-K208 VanDerWaalsContact CG2-NZ 3.33Å; I204-K208 WeakPolarHBondContact O-CG 3.35Å; I204-K208 PolarHBondContact O-N 3.25Å; H206-K208 VanDerWaalsContact C-N 3.32Å; H206-K208 PolarHBondContact O-N 3.28Å
209	K	97.6	Very high	97.1	Very high	115 Å²	115	39.3 Å²	39.3	50%	0.5	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-84.5	-7.9	176.9	-53.9	163.3	-164.8	158.6	0	113.1	E205 H206 F207	E205-K209 WeakPolarHBondContact O-CE 3.49Å; E205-K209 WeakPolarHBondContact O-CG 3.21Å; E205-K209 IonicContact OE1-NZ 3.61Å; E205-K209 PolarHBondContact OE1-NZ 2.9Å; H206-K209 PolarHBondContact CE1-NZ 2.94Å; H206-K209 PolarHBondContact ND1-NZ 3.17Å; H206-K209 VanDerWaalsContact O-CB 3.32Å; H206-K209 WeakPolarHBondContact O-CB 3.27Å; H206-K209 PolarHBondContact O-N 3.25Å; F207-K209 PolarHBondContact O-N 3.37Å; F207-K209 VanDerWaalsContact O-N 3.16Å
210	L	97.1	Very high	97.2	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.037	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-95.6	-1.8	-177.7	-55.6	-170.4	0	0	0	114.2	S159 Y160 Q163 F207 G212 Q213	S159-L210 WeakPolarHBondContact O-CD1 3.25Å; S159-L210 WeakPolarHBondContact OG-CD1 3.37Å; Y160-L210 HydrophobicContact CD1-CD1 3.55Å; Y160-L210 HydrophobicContact CD1-CD2 4.12Å; Y160-L210 HydrophobicContact CE1-CD1 3.82Å; Y160-L210 HydrophobicContact CE1-CD2 3.46Å; Y160-L210 VanDerWaalsContact CE1-CD2 3.46Å; Y160-L210 HydrophobicContact CE1-CG 4.31Å; Y160-L210 HydrophobicContact CG-CD1 4.12Å; Q163-L210 HydrophobicContact CB-CB 4.49Å; Q163-L210 HydrophobicContact CB-CD1 3.92Å; Q163-L210 HydrophobicContact CG-CB 4.24Å; Q163-L210 HydrophobicContact CG-CD1 4.44Å; Q163-L210 PolarHBondContact NE2-O 2.91Å; F207-L210 WeakPolarHBondContact O-CB 3.42Å; F207-L210 PolarHBondContact O-N 2.93Å; L210-G212 PolarHBondContact O-N 3.04Å; L210-Q213 VanDerWaalsContact O-CB 3.22Å; L210-Q213 WeakPolarHBondContact O-CB 3.37Å; L210-Q213 VanDerWaalsContact O-CG 3.31Å; L210-Q213 WeakPolarHBondContact O-CG 3.15Å; L210-Q213 PolarHBondContact O-N 3.41Å
211	S	95	Very high	97.3	Very high	85 Å²	85	40.8 Å²	40.8	59%	0.594	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	128.4	-178.9	-168.9	0	0	0	0	112.4	D168	D168-S211 WeakPolarHBondContact OD1-CA 3.49Å
212	G	93.9	Very high	97.4	Very high	65 Å²	65	37.6 Å²	37.6	67%	0.67	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.1	-3.2	-175	0	0	0	0	0	115	D168 L210	D168-G212 PolarHBondContact OD1-N 2.94Å; L210-G212 PolarHBondContact O-N 3.04Å
213	Q	96.7	Very high	97.4	Very high	53 Å²	53	34.7 Å²	34.7	25%	0.248	19%	0.189	C	C	.	.			trans	-78.1	129.2	174.7	-66.3	-173.3	30.4	0	0	111.3	Q163 L210 Q217 N221	Q163-Q213 HydrophobicContact CG-CB 4.35Å; Q163-Q213 PolarHBondContact NE2-O 3.34Å; L210-Q213 VanDerWaalsContact O-CB 3.22Å; L210-Q213 WeakPolarHBondContact O-CB 3.37Å; L210-Q213 VanDerWaalsContact O-CG 3.31Å; L210-Q213 WeakPolarHBondContact O-CG 3.15Å; L210-Q213 PolarHBondContact O-N 3.41Å; Q213-Q217 HydrophobicContact CB-CB 4.5Å; Q213-N221 PolarHBondContact OE1-ND2 3.27Å
214	S	96.6	Very high	97.4	Very high	44 Å²	44	36.9 Å²	36.9	31%	0.308	21%	0.205	S	C	.	.			trans	-67.4	158	176.8	73.1	0	0	0	0	112.3	G216 Q217 A218 T359	S214-G216 VanDerWaalsContact C-N 3.26Å; S214-G216 PolarHBondContact O-N 2.67Å; S214-Q217 WeakPolarHBondContact O-CA 3.31Å; S214-Q217 WeakPolarHBondContact O-CB 3.46Å; S214-Q217 PolarHBondContact O-N 3.08Å; S214-Q217 WeakPolarHBondContact OG-CB 3.27Å; S214-Q217 PolarHBondContact OG-N 2.83Å; S214-A218 PolarHBondContact O-N 2.97Å; S214-T359 VanDerWaalsContact CB-OG1 3.24Å; S214-T359 WeakPolarHBondContact CB-OG1 3.38Å; S214-T359 PolarHBondContact OG-OG1 2.86Å
215	R	96.1	Very high	97.3	Very high	55 Å²	55	38.1 Å²	38.1	21%	0.208	21%	0.211	C	C	.	.	H	α-helix	trans	-50.5	-46.3	175	178.9	-176.4	173.1	-100	-2.1	112.1	E132 E164 A218 I219 L358 G362	E132-R215 IonicContact OE1-CZ 3.76Å; E132-R215 IonicContact OE1-NH1 2.6Å; E132-R215 PolarHBondContact OE1-NH1 3.25Å; E132-R215 IonicContact OE1-NH2 2.72Å; E132-R215 PolarHBondContact OE1-NH2 2.86Å; E164-R215 HydrophobicContact CG-CG 4.03Å; E164-R215 IonicContact OE1-CZ 3.93Å; E164-R215 VanDerWaalsContact OE1-CZ 3.24Å; E164-R215 IonicContact OE1-NE 2.66Å; E164-R215 PolarHBondContact OE1-NE 3.18Å; E164-R215 IonicContact OE1-NH2 3.72Å; E164-R215 PolarHBondContact OE1-NH2 2.96Å; R215-A218 PolarHBondContact O-N 2.96Å; R215-I219 HydrophobicContact CG-CD1 4.28Å; R215-I219 WeakPolarHBondContact O-CG1 3.37Å; R215-I219 PolarHBondContact O-N 3.47Å; R215-I219 VanDerWaalsContact O-N 3.11Å; R215-L358 PolarHBondContact NH1-O 2.86Å; R215-G362 VanDerWaalsContact NH1-CA 3.31Å
216	G	97.3	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.4	-33.6	179	0	0	0	0	0	113	S214 I219 V220 A355 T359	S214-G216 VanDerWaalsContact C-N 3.26Å; S214-G216 PolarHBondContact O-N 2.67Å; G216-I219 PolarHBondContact O-N 3.26Å; G216-V220 WeakPolarHBondContact O-CB 3.39Å; G216-V220 VanDerWaalsContact O-CG2 3.32Å; G216-V220 WeakPolarHBondContact O-CG2 3.2Å; G216-V220 PolarHBondContact O-N 3.41Å; G216-A355 WeakPolarHBondContact CA-O 3.33Å; G216-T359 PolarHBondContact N-OG1 2.87Å
217	Q	97.8	Very high	97.2	Very high	58 Å²	58	34.6 Å²	34.6	27%	0.271	20%	0.195	S	C	.	.	H	α-helix	trans	-66.2	-39.6	173.7	-167.6	63.1	58.1	0	0	111.3	Q213 S214 V220 N221 A355	Q213-Q217 HydrophobicContact CB-CB 4.5Å; S214-Q217 WeakPolarHBondContact O-CA 3.31Å; S214-Q217 WeakPolarHBondContact O-CB 3.46Å; S214-Q217 PolarHBondContact O-N 3.08Å; S214-Q217 WeakPolarHBondContact OG-CB 3.27Å; S214-Q217 PolarHBondContact OG-N 2.83Å; Q217-V220 PolarHBondContact O-N 3.36Å; Q217-N221 PolarHBondContact NE2-OD1 3.32Å; Q217-N221 WeakPolarHBondContact O-CB 3.41Å; Q217-N221 PolarHBondContact O-N 3.32Å; Q217-N221 PolarHBondContact O-ND2 2.94Å; Q217-N221 PolarHBondContact O-OD1 2.88Å; Q217-A355 HydrophobicContact CB-CB 4.18Å
218	A	98	Very high	97.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-43.3	173.8	0	0	0	0	0	112.3	Y160 Q163 S214 R215 N221 Y222	Y160-A218 HydrophobicContact CD1-CB 4.14Å; Q163-A218 HydrophobicContact CB-CB 3.86Å; Q163-A218 HydrophobicContact CG-CB 3.9Å; S214-A218 PolarHBondContact O-N 2.97Å; R215-A218 PolarHBondContact O-N 2.96Å; A218-N221 PolarHBondContact O-N 3.09Å; A218-Y222 VanDerWaalsContact O-CB 3.25Å; A218-Y222 WeakPolarHBondContact O-CB 3.46Å; A218-Y222 PolarHBondContact O-N 3.11Å
219	I	97.9	Very high	96.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-44.6	174.7	-67.7	166.9	0	0	0	111.5	F135 E164 R215 G216 M223 L358	F135-I219 HydrophobicContact CB-CG2 3.82Å; F135-I219 HydrophobicContact CD1-CD1 4.49Å; F135-I219 HydrophobicContact CD1-CG1 4.11Å; F135-I219 HydrophobicContact CD1-CG2 4.43Å; F135-I219 HydrophobicContact CD2-CB 4.47Å; F135-I219 HydrophobicContact CD2-CG1 4.33Å; F135-I219 HydrophobicContact CD2-CG2 4.09Å; F135-I219 HydrophobicContact CE1-CG1 4.1Å; F135-I219 HydrophobicContact CE2-CG1 4.33Å; F135-I219 HydrophobicContact CG-CG1 4.23Å; F135-I219 HydrophobicContact CG-CG2 3.86Å; F135-I219 HydrophobicContact CZ-CG1 4.2Å; E164-I219 HydrophobicContact CG-CD1 3.85Å; E164-I219 HydrophobicContact CG-CG1 3.6Å; R215-I219 HydrophobicContact CG-CD1 4.28Å; R215-I219 WeakPolarHBondContact O-CG1 3.37Å; R215-I219 PolarHBondContact O-N 3.47Å; R215-I219 VanDerWaalsContact O-N 3.11Å; G216-I219 PolarHBondContact O-N 3.26Å; I219-M223 WeakPolarHBondContact O-CB 3.1Å; I219-M223 WeakPolarHBondContact O-CG 3.33Å; I219-M223 PolarHBondContact O-N 3.02Å; I219-L358 HydrophobicContact CB-CD1 4.11Å; I219-L358 HydrophobicContact CD1-CD1 4.37Å; I219-L358 HydrophobicContact CG2-CD1 3.74Å
220	V	98.1	Very high	96.7	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-65.5	-42.1	179.4	162.5	0	0	0	0	111.8	I122 G216 Q217 M223 S224 L351 I354 A355 L358	I122-V220 HydrophobicContact CD1-CG2 4.3Å; G216-V220 WeakPolarHBondContact O-CB 3.39Å; G216-V220 VanDerWaalsContact O-CG2 3.32Å; G216-V220 WeakPolarHBondContact O-CG2 3.2Å; G216-V220 PolarHBondContact O-N 3.41Å; Q217-V220 PolarHBondContact O-N 3.36Å; V220-M223 PolarHBondContact O-N 2.89Å; V220-S224 WeakPolarHBondContact O-CB 3.4Å; V220-S224 PolarHBondContact O-N 3.09Å; V220-S224 PolarHBondContact O-OG 2.77Å; V220-L351 HydrophobicContact CG1-CB 3.83Å; V220-L351 HydrophobicContact CG1-CD2 4.37Å; V220-L351 HydrophobicContact CG1-CG 4.46Å; V220-I354 HydrophobicContact CG2-CB 4.2Å; V220-I354 HydrophobicContact CG2-CG2 3.61Å; V220-A355 HydrophobicContact CG2-CB 4.12Å; V220-L358 HydrophobicContact CG2-CD1 4.49Å
221	N	98.3	Very high	96.5	Very high	37 Å²	37	33.6 Å²	33.6	20%	0.198	21%	0.211	C	C	.	.	H	α-helix	trans	-67.2	-46.3	177.6	-69.1	-8.1	0	0	0	111	Y160 Q213 Q217 A218 M223 S224 I225	Y160-N221 HydrophobicContact CD1-CB 3.95Å; Y160-N221 HydrophobicContact CE1-CB 3.41Å; Y160-N221 VanDerWaalsContact CE1-CB 3.41Å; Y160-N221 HydrophobicContact CE2-CB 4.23Å; Q213-N221 PolarHBondContact OE1-ND2 3.27Å; Q217-N221 PolarHBondContact NE2-OD1 3.32Å; Q217-N221 WeakPolarHBondContact O-CB 3.41Å; Q217-N221 PolarHBondContact O-N 3.32Å; Q217-N221 PolarHBondContact O-ND2 2.94Å; Q217-N221 PolarHBondContact O-OD1 2.88Å; A218-N221 PolarHBondContact O-N 3.09Å; N221-M223 PolarHBondContact O-N 2.96Å; N221-S224 PolarHBondContact O-N 3.42Å; N221-I225 WeakPolarHBondContact O-CG1 3.5Å; N221-I225 PolarHBondContact O-N 3.01Å; N221-I225 VanDerWaalsContact O-N 3.07Å
222	Y	98.5	Very high	96.5	Very high	3 Å²	3	30.1 Å²	30.1	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-53.2	-51.3	173	-174.1	-77.1	0	0	0	111.5	F135 A138 K139 L157 I161 A218 S224 I225 V226	F135-Y222 AromaticContact CD2-CD1 3.56Å; F135-Y222 HydrophobicContact CD2-CD1 3.56Å; F135-Y222 HydrophobicContact CD2-CE1 4.11Å; F135-Y222 AromaticContact CD2-CG 3.88Å; F135-Y222 HydrophobicContact CD2-CG 3.88Å; F135-Y222 AromaticContact CE2-CD1 3.72Å; F135-Y222 HydrophobicContact CE2-CD1 3.72Å; F135-Y222 AromaticContact CE2-CD2 3.94Å; F135-Y222 HydrophobicContact CE2-CD2 3.94Å; F135-Y222 HydrophobicContact CE2-CE1 4.2Å; F135-Y222 HydrophobicContact CE2-CE2 4.4Å; F135-Y222 AromaticContact CE2-CG 3.61Å; F135-Y222 HydrophobicContact CE2-CG 3.61Å; A138-Y222 HydrophobicContact CB-CE1 3.89Å; K139-Y222 WeakPolarHBondContact CA-OH 3.03Å; L157-Y222 HydrophobicContact CB-CD2 4.09Å; L157-Y222 HydrophobicContact CB-CE2 3.63Å; L157-Y222 HydrophobicContact CD2-CD1 4.19Å; L157-Y222 HydrophobicContact CD2-CD2 3.51Å; L157-Y222 HydrophobicContact CD2-CE1 4.3Å; L157-Y222 HydrophobicContact CD2-CE2 3.65Å; L157-Y222 HydrophobicContact CD2-CG 3.77Å; L157-Y222 HydrophobicContact CG-CD2 4.39Å; L157-Y222 HydrophobicContact CG-CE2 4.15Å; L157-Y222 WeakPolarHBondContact O-CD2 3.46Å; L157-Y222 WeakPolarHBondContact O-CE2 3.25Å; I161-Y222 HydrophobicContact CD1-CE2 3.72Å; I161-Y222 HydrophobicContact CG1-CD2 4.13Å; I161-Y222 HydrophobicContact CG1-CE2 3.66Å; A218-Y222 VanDerWaalsContact O-CB 3.25Å; A218-Y222 WeakPolarHBondContact O-CB 3.46Å; A218-Y222 PolarHBondContact O-N 3.11Å; Y222-S224 PolarHBondContact O-N 3.2Å; Y222-I225 PolarHBondContact O-N 2.87Å; Y222-V226 HydrophobicContact CD1-CG2 3.99Å; Y222-V226 HydrophobicContact CE1-CG2 3.66Å; Y222-V226 WeakPolarHBondContact O-CG2 3.26Å; Y222-V226 PolarHBondContact O-N 3.03Å
223	M	98	Very high	96.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.8	-37	179.5	-75.2	-56	-57.6	0	0	112.5	I122 F134 F135 A138 I219 V220 N221 I225 V226 E227	I122-M223 HydrophobicContact CD1-CB 3.73Å; I122-M223 HydrophobicContact CD1-CG 4.18Å; I122-M223 HydrophobicContact CG1-CB 4.26Å; I122-M223 HydrophobicContact CG2-CB 4.45Å; I122-M223 HydrophobicContact CG2-CE 3.84Å; I122-M223 HydrophobicContact CG2-CG 4.29Å; F134-M223 HydrophobicContact CB-CE 4.35Å; F135-M223 HydrophobicContact CB-CG 4.2Å; F135-M223 HydrophobicContact CB-SD 4.18Å; A138-M223 HydrophobicContact CB-SD 3.74Å; I219-M223 WeakPolarHBondContact O-CB 3.1Å; I219-M223 WeakPolarHBondContact O-CG 3.33Å; I219-M223 PolarHBondContact O-N 3.02Å; V220-M223 PolarHBondContact O-N 2.89Å; N221-M223 PolarHBondContact O-N 2.96Å; M223-I225 VanDerWaalsContact C-N 3.31Å; M223-I225 PolarHBondContact O-N 3.21Å; M223-V226 PolarHBondContact O-N 3.27Å; M223-E227 HydrophobicContact CE-CG 4.24Å; M223-E227 VanDerWaalsContact O-CB 3.25Å; M223-E227 WeakPolarHBondContact O-CB 3.26Å; M223-E227 WeakPolarHBondContact O-CG 3.46Å; M223-E227 PolarHBondContact O-N 3.05Å
224	S	97.8	Very high	96.4	Very high	47 Å²	47	25.6 Å²	25.6	33%	0.329	15%	0.148	S	C	.	.	H	α-helix	trans	-61.8	-39	177.1	-59.7	0	0	0	0	112.2	V220 N221 Y222 S228	V220-S224 WeakPolarHBondContact O-CB 3.4Å; V220-S224 PolarHBondContact O-N 3.09Å; V220-S224 PolarHBondContact O-OG 2.77Å; N221-S224 PolarHBondContact O-N 3.42Å; Y222-S224 PolarHBondContact O-N 3.2Å; S224-S228 PolarHBondContact O-N 3.2Å
225	I	97.7	Very high	96.2	Very high	29 Å²	29	24.7 Å²	24.7	15%	0.149	14%	0.139	C	C	.	.	H	α-helix	trans	-67.2	-50.7	173.8	-67	165.8	0	0	0	110.2	V153 E156 L157 Y160 N221 Y222 M223 E227 S228	V153-I225 HydrophobicContact CG1-CG2 3.57Å; E156-I225 HydrophobicContact CG-CD1 4.31Å; E156-I225 WeakPolarHBondContact OE1-CD1 3.5Å; L157-I225 HydrophobicContact CD1-CG2 4.39Å; L157-I225 HydrophobicContact CD2-CB 3.98Å; L157-I225 HydrophobicContact CD2-CD1 4.35Å; L157-I225 HydrophobicContact CD2-CG2 3.83Å; L157-I225 HydrophobicContact CG-CG2 4.17Å; Y160-I225 HydrophobicContact CD2-CD1 4.19Å; Y160-I225 HydrophobicContact CE2-CD1 3.54Å; N221-I225 WeakPolarHBondContact O-CG1 3.5Å; N221-I225 PolarHBondContact O-N 3.01Å; N221-I225 VanDerWaalsContact O-N 3.07Å; Y222-I225 PolarHBondContact O-N 2.87Å; M223-I225 VanDerWaalsContact C-N 3.31Å; M223-I225 PolarHBondContact O-N 3.21Å; I225-E227 VanDerWaalsContact C-N 3.32Å; I225-E227 PolarHBondContact O-N 3.09Å; I225-S228 WeakPolarHBondContact O-CB 3.17Å; I225-S228 PolarHBondContact O-N 2.87Å; I225-S228 VanDerWaalsContact O-N 3.09Å; I225-S228 PolarHBondContact O-OG 2.9Å
226	V	97.1	Very high	96.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.4	-36.8	-178.1	174.6	0	0	0	0	112.4	A138 I142 L157 Y222 M223 S228 L229 Y232	A138-V226 HydrophobicContact CB-CG1 4.09Å; I142-V226 HydrophobicContact CD1-CG1 4.29Å; I142-V226 HydrophobicContact CD1-CG2 3.55Å; L157-V226 HydrophobicContact CD1-CG2 3.96Å; L157-V226 HydrophobicContact CD2-CG2 3.87Å; Y222-V226 HydrophobicContact CD1-CG2 3.99Å; Y222-V226 HydrophobicContact CE1-CG2 3.66Å; Y222-V226 WeakPolarHBondContact O-CG2 3.26Å; Y222-V226 PolarHBondContact O-N 3.03Å; M223-V226 PolarHBondContact O-N 3.27Å; V226-S228 PolarHBondContact O-N 3.04Å; V226-L229 HydrophobicContact CB-CD1 4.46Å; V226-L229 HydrophobicContact CG1-CD1 4.32Å; V226-L229 HydrophobicContact CG2-CD1 4.49Å; V226-L229 WeakPolarHBondContact O-CB 3.27Å; V226-L229 PolarHBondContact O-N 3.42Å; V226-Y232 HydrophobicContact CG1-CD2 3.6Å; V226-Y232 HydrophobicContact CG1-CE2 3.94Å; V226-Y232 HydrophobicContact CG1-CG 4.28Å; V226-Y232 VanDerWaalsContact O-CB 3.24Å; V226-Y232 WeakPolarHBondContact O-CB 3.39Å
227	E	96	Very high	96	Very high	30 Å²	30	24.3 Å²	24.3	14%	0.14	14%	0.138	C	C	.	.	H	α-helix	trans	-64.9	-22.9	176.5	-75.1	175.7	169.5	0	0	113.2	S121 I122 M223 I225 Y232	S121-E227 VanDerWaalsContact CA-CD 3.46Å; S121-E227 VanDerWaalsContact CA-OE1 3.31Å; S121-E227 WeakPolarHBondContact CA-OE1 3.4Å; S121-E227 WeakPolarHBondContact CA-OE2 3.42Å; S121-E227 VanDerWaalsContact CB-OE2 3.28Å; S121-E227 WeakPolarHBondContact CB-OE2 3.41Å; S121-E227 PolarHBondContact OG-OE2 3.45Å; I122-E227 WeakPolarHBondContact CG2-OE1 3.33Å; I122-E227 PolarHBondContact N-OE1 3.34Å; M223-E227 HydrophobicContact CE-CG 4.24Å; M223-E227 VanDerWaalsContact O-CB 3.25Å; M223-E227 WeakPolarHBondContact O-CB 3.26Å; M223-E227 WeakPolarHBondContact O-CG 3.46Å; M223-E227 PolarHBondContact O-N 3.05Å; I225-E227 VanDerWaalsContact C-N 3.32Å; I225-E227 PolarHBondContact O-N 3.09Å; E227-Y232 HydrophobicContact CB-CE1 4.31Å; E227-Y232 HydrophobicContact CG-CD1 4.35Å; E227-Y232 HydrophobicContact CG-CE1 3.69Å
228	S	95.3	Very high	95.9	Very high	89 Å²	89	22.7 Å²	22.7	62%	0.622	14%	0.135	S	C	*	.	H	α-helix	trans	-79.6	-18.9	176.2	81.5	0	0	0	0	114.2	S224 I225 V226	S224-S228 PolarHBondContact O-N 3.2Å; I225-S228 WeakPolarHBondContact O-CB 3.17Å; I225-S228 PolarHBondContact O-N 2.87Å; I225-S228 VanDerWaalsContact O-N 3.09Å; I225-S228 PolarHBondContact O-OG 2.9Å; V226-S228 PolarHBondContact O-N 3.04Å
229	L	94.4	Very high	95.8	Very high	24 Å²	24	23 Å²	23	13%	0.126	14%	0.137	C	C	.	.			trans	-67	129.4	-175	-62.9	171.9	0	0	0	111.1	I142 I147 V149 V226 T231 Y232	I142-L229 HydrophobicContact CD1-CD1 4.43Å; I147-L229 HydrophobicContact CG2-CD1 4.16Å; V149-L229 HydrophobicContact CG1-CD1 4.38Å; V149-L229 HydrophobicContact CG1-CD2 4.31Å; V149-L229 HydrophobicContact CG2-CD1 3.82Å; V226-L229 HydrophobicContact CB-CD1 4.46Å; V226-L229 HydrophobicContact CG1-CD1 4.32Å; V226-L229 HydrophobicContact CG2-CD1 4.49Å; V226-L229 WeakPolarHBondContact O-CB 3.27Å; V226-L229 PolarHBondContact O-N 3.42Å; L229-T231 PolarHBondContact O-N 2.67Å; L229-Y232 WeakPolarHBondContact O-CB 3.32Å; L229-Y232 PolarHBondContact O-N 3.08Å
230	P	92.3	Very high	95.7	Very high	82 Å²	82	28.4 Å²	28.4	53%	0.532	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.1	-179.7	-24.5	34.2	0	0	0	114.5	V265	P230-V265 HydrophobicContact CB-CG1 3.83Å; P230-V265 HydrophobicContact CG-CG1 3.85Å
231	T	93	Very high	95.6	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.018	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-10.8	-179.5	41.3	0	0	0	0	113.2	I147 E148 L229 V265	I147-T231 VanDerWaalsContact CG2-OG1 3.26Å; I147-T231 WeakPolarHBondContact CG2-OG1 3.32Å; E148-T231 HydrophobicContact CB-CG2 4.34Å; E148-T231 PolarHBondContact O-OG1 3.14Å; E148-T231 VanDerWaalsContact O-OG1 3.14Å; L229-T231 PolarHBondContact O-N 2.67Å; T231-V265 HydrophobicContact CG2-CG2 4.08Å
232	Y	94.9	Very high	95.4	Very high	11 Å²	11	36.8 Å²	36.8	4%	0.043	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	135.8	-178.8	173.3	-109.5	0	0	0	113.2	Y118 I147 V226 E227 L229 V234	Y118-Y232 HydrophobicContact CD1-CD2 4.37Å; Y118-Y232 AromaticContact CD1-CE2 3.69Å; Y118-Y232 HydrophobicContact CD1-CE2 3.69Å; Y118-Y232 AromaticContact CD1-CZ 3.81Å; Y118-Y232 AromaticContact CE1-CE2 3.93Å; Y118-Y232 HydrophobicContact CE1-CE2 3.93Å; I147-Y232 HydrophobicContact CD1-CD2 4.4Å; V226-Y232 HydrophobicContact CG1-CD2 3.6Å; V226-Y232 HydrophobicContact CG1-CE2 3.94Å; V226-Y232 HydrophobicContact CG1-CG 4.28Å; V226-Y232 VanDerWaalsContact O-CB 3.24Å; V226-Y232 WeakPolarHBondContact O-CB 3.39Å; E227-Y232 HydrophobicContact CB-CE1 4.31Å; E227-Y232 HydrophobicContact CG-CD1 4.35Å; E227-Y232 HydrophobicContact CG-CE1 3.69Å; L229-Y232 WeakPolarHBondContact O-CB 3.32Å; L229-Y232 PolarHBondContact O-N 3.08Å; Y232-V234 PolarHBondContact O-N 2.81Å
233	G	93.7	Very high	95.2	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.021	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	14.2	177.7	0	0	0	0	0	115.7	S252	G233-S252 WeakPolarHBondContact O-CB 3.44Å
234	V	94.5	Very high	95.1	Very high	21 Å²	21	46.3 Å²	46.3	13%	0.127	25%	0.25	C	S	.	.			trans	-99.5	119.8	176.3	-175.3	0	0	0	0	110.2	Y232 Y236 Y259	Y232-V234 PolarHBondContact O-N 2.81Å; V234-Y236 HydrophobicContact CB-CD2 4.22Å; V234-Y236 HydrophobicContact CB-CE2 3.57Å; V234-Y236 HydrophobicContact CG1-CD1 4.12Å; V234-Y236 HydrophobicContact CG1-CD2 4Å; V234-Y236 HydrophobicContact CG1-CE1 3.77Å; V234-Y236 HydrophobicContact CG1-CE2 3.62Å; V234-Y236 HydrophobicContact CG1-CG 4.23Å; V234-Y236 VanDerWaalsContact CG1-CZ 3.5Å; V234-Y236 VanDerWaalsContact O-CD2 3.29Å; V234-Y236 WeakPolarHBondContact O-CD2 3.42Å; V234-Y259 HydrophobicContact CG1-CE2 4.4Å
235	H	94.1	Very high	95	Very high	26 Å²	26	47.4 Å²	47.4	12%	0.12	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	111.2	170.1	-63.1	-98.6	0	0	0	109	W90 R116 Y118 Y237 G250 L251	W90-H235 AromaticContact CZ2-CE1 3.67Å; R116-H235 PolarHBondContact O-NE2 3.31Å; Y118-H235 AromaticContact CD2-NE2 3.91Å; Y118-H235 AromaticContact CE2-NE2 3.82Å; H235-Y237 HydrophobicContact CB-CE2 3.71Å; H235-Y237 WeakPolarHBondContact O-CD2 3.42Å; H235-Y237 WeakPolarHBondContact O-CE2 3.36Å; H235-G250 CarbonylContact O-C 3.58Å; H235-G250 WeakPolarHBondContact O-CA 3.21Å; H235-L251 HydrophobicContact CB-CB 4.46Å; H235-L251 PolarHBondContact CD2-O 3.04Å; H235-L251 PolarHBondContact N-O 3.33Å; H235-L251 PolarHBondContact O-N 2.82Å
236	Y	93.8	Very high	95	Very high	38 Å²	38	48.6 Å²	48.6	15%	0.149	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	133.5	-176.2	-68	-87.6	0	0	0	113.1	V234 W248 Y259 K264	V234-Y236 HydrophobicContact CB-CD2 4.22Å; V234-Y236 HydrophobicContact CB-CE2 3.57Å; V234-Y236 HydrophobicContact CG1-CD1 4.12Å; V234-Y236 HydrophobicContact CG1-CD2 4Å; V234-Y236 HydrophobicContact CG1-CE1 3.77Å; V234-Y236 HydrophobicContact CG1-CE2 3.62Å; V234-Y236 HydrophobicContact CG1-CG 4.23Å; V234-Y236 VanDerWaalsContact CG1-CZ 3.5Å; V234-Y236 VanDerWaalsContact O-CD2 3.29Å; V234-Y236 WeakPolarHBondContact O-CD2 3.42Å; Y236-W248 HydrophobicContact CD1-CB 4.27Å; Y236-Y259 HydrophobicContact CD1-CE2 4.39Å; Y236-Y259 HydrophobicContact CE1-CD2 4.04Å; Y236-Y259 HydrophobicContact CE1-CE1 4.31Å; Y236-Y259 AromaticContact CE1-CE2 3.72Å; Y236-Y259 HydrophobicContact CE1-CE2 3.72Å; Y236-Y259 HydrophobicContact CE1-CG 4.48Å; Y236-Y259 AromaticContact CE1-CZ 3.88Å; Y236-K264 HydrophobicContact CD1-CB 4.27Å; Y236-K264 HydrophobicContact CD1-CD 3.9Å; Y236-K264 HydrophobicContact CD1-CG 4.34Å; Y236-K264 HydrophobicContact CD2-CD 4.33Å; Y236-K264 HydrophobicContact CE1-CB 3.66Å; Y236-K264 HydrophobicContact CE1-CD 4.11Å; Y236-K264 HydrophobicContact CE1-CG 4.22Å; Y236-K264 WeakPolarHBondContact CE1-O 3.33Å; Y236-K264 HydrophobicContact CG-CD 4.02Å; Y236-K264 PolarHBondContact OH-O 3.45Å
237	Y	94.5	Very high	95	Very high	9 Å²	9	49.8 Å²	49.8	4%	0.035	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.9	178	-58.1	-91.4	0	0	0	110.7	H235 V239 L249 L251 L320 I324	H235-Y237 HydrophobicContact CB-CE2 3.71Å; H235-Y237 WeakPolarHBondContact O-CD2 3.42Å; H235-Y237 WeakPolarHBondContact O-CE2 3.36Å; Y237-V239 PolarHBondContact O-N 2.81Å; Y237-L249 PolarHBondContact N-O 3.25Å; Y237-L249 PolarHBondContact O-N 2.77Å; Y237-L251 HydrophobicContact CD2-CD1 4.2Å; Y237-L251 HydrophobicContact CD2-CG 4.29Å; Y237-L251 HydrophobicContact CE2-CB 4.41Å; Y237-L251 HydrophobicContact CE2-CD1 3.67Å; Y237-L251 HydrophobicContact CE2-CG 4.02Å; Y237-L320 HydrophobicContact CD1-CD1 3.79Å; Y237-L320 HydrophobicContact CE1-CD1 4.47Å; Y237-I324 HydrophobicContact CD1-CD1 4.39Å; Y237-I324 HydrophobicContact CD1-CG1 3.57Å; Y237-I324 HydrophobicContact CD2-CG1 4.05Å; Y237-I324 HydrophobicContact CE1-CG1 4.18Å; Y237-I324 HydrophobicContact CG-CD1 4.18Å; Y237-I324 HydrophobicContact CG-CG1 3.5Å
238	A	95	Very high	95.1	Very high	24 Å²	24	50.2 Å²	50.2	20%	0.198	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	119.8	176.5	0	0	0	0	0	110.1	W248 Y261 L320	A238-W248 HydrophobicContact CB-CE3 4.17Å; A238-W248 HydrophobicContact CB-CH2 4.06Å; A238-W248 HydrophobicContact CB-CZ3 3.75Å; A238-Y261 HydrophobicContact CB-CE2 4.34Å; A238-L320 WeakPolarHBondContact O-CD2 3.38Å
239	V	96.2	Very high	95.2	Very high	6 Å²	6	46 Å²	46	4%	0.036	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	170.4	-178.3	-58.4	0	0	0	0	111.2	Y237 P246 W247 L249 W314 A316 I324	Y237-V239 PolarHBondContact O-N 2.81Å; V239-P246 WeakPolarHBondContact O-CA 3.41Å; V239-W247 HydrophobicContact CG2-CB 4.13Å; V239-W247 PolarHBondContact N-O 2.86Å; V239-W247 PolarHBondContact O-N 3Å; V239-W247 VanDerWaalsContact O-O 3.12Å; V239-L249 HydrophobicContact CG1-CB 4.23Å; V239-L249 HydrophobicContact CG2-CB 3.94Å; V239-W314 HydrophobicContact CB-CB 4.01Å; V239-W314 HydrophobicContact CG2-CB 3.82Å; V239-W314 HydrophobicContact CG2-CG 3.91Å; V239-A316 HydrophobicContact CG1-CB 4.49Å; V239-I324 HydrophobicContact CG1-CD1 3.63Å
240	K	97.4	Very high	95.3	Very high	114 Å²	114	44.9 Å²	44.9	50%	0.496	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	155.3	171.3	-63.6	-175	174.5	-163.6	0	111.1	G244 I245 W314 Y315	K240-G244 WeakPolarHBondContact CD-O 3.41Å; K240-I245 CarbonylContact C-O 3.57Å; K240-I245 WeakPolarHBondContact CA-O 3.42Å; K240-W314 CarbonylContact O-C 3.56Å; K240-W314 VanDerWaalsContact O-CA 3.25Å; K240-W314 WeakPolarHBondContact O-CA 3.48Å; K240-Y315 PolarHBondContact N-O 2.94Å; K240-Y315 PolarHBondContact O-N 2.8Å
241	D	95.7	Very high	95.5	Very high	30 Å²	30	41 Å²	41	16%	0.16	21%	0.206	C	C	.	.			trans	-89.5	-171.6	169.6	68	20.3	0	0	0	112.4	Q243 G244 I245 W247	D241-Q243 PolarHBondContact O-N 3.13Å; D241-Q243 WeakPolarHBondContact OD1-CA 3.36Å; D241-Q243 WeakPolarHBondContact OD1-CB 3.37Å; D241-Q243 PolarHBondContact OD1-N 3.14Å; D241-G244 PolarHBondContact O-N 2.9Å; D241-G244 VanDerWaalsContact O-N 3.08Å; D241-G244 PolarHBondContact OD1-N 3.15Å; D241-I245 PolarHBondContact N-O 2.89Å; D241-I245 PolarHBondContact OD1-N 2.89Å; D241-I245 VanDerWaalsContact OD1-N 3.12Å; D241-W247 VanDerWaalsContact CG-NE1 3.35Å; D241-W247 PolarHBondContact OD2-NE1 2.81Å
242	K	93.2	Very high	95.6	Very high	185 Å²	185	41 Å²	41	80%	0.804	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.6	178.2	-168	-175.5	174.7	-171	0	113.4	G244 Y315	K242-G244 VanDerWaalsContact C-N 3.34Å; K242-Y315 HydrophobicContact CB-CE2 4.05Å
243	Q	95.4	Very high	95.4	Very high	165 Å²	165	42.2 Å²	42.2	77%	0.771	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-5.3	176.4	-62	179.4	-7	0	0	111.8	D241 I245	D241-Q243 PolarHBondContact O-N 3.13Å; D241-Q243 WeakPolarHBondContact OD1-CA 3.36Å; D241-Q243 WeakPolarHBondContact OD1-CB 3.37Å; D241-Q243 PolarHBondContact OD1-N 3.14Å; Q243-I245 VanDerWaalsContact C-N 3.32Å; Q243-I245 HydrophobicContact CB-CD1 4.19Å; Q243-I245 HydrophobicContact CB-CG1 4.13Å
244	G	94.8	Very high	95.4	Very high	37 Å²	37	46.8 Å²	46.8	38%	0.381	23%	0.23	S	C	.	.			trans	84	4.1	-177.7	0	0	0	0	0	114.1	K240 D241 K242	K240-G244 WeakPolarHBondContact CD-O 3.41Å; D241-G244 PolarHBondContact O-N 2.9Å; D241-G244 VanDerWaalsContact O-N 3.08Å; D241-G244 PolarHBondContact OD1-N 3.15Å; K242-G244 VanDerWaalsContact C-N 3.34Å
245	I	96.5	Very high	95.4	Very high	70 Å²	70	45.8 Å²	45.8	36%	0.359	22%	0.224	S	C	.	.			trans	-65.6	131.3	177.4	-59	173.2	0	0	0	108.1	K240 D241 Q243 W247	K240-I245 CarbonylContact C-O 3.57Å; K240-I245 WeakPolarHBondContact CA-O 3.42Å; D241-I245 PolarHBondContact N-O 2.89Å; D241-I245 PolarHBondContact OD1-N 2.89Å; D241-I245 VanDerWaalsContact OD1-N 3.12Å; Q243-I245 VanDerWaalsContact C-N 3.32Å; Q243-I245 HydrophobicContact CB-CD1 4.19Å; Q243-I245 HydrophobicContact CB-CG1 4.13Å; I245-W247 HydrophobicContact CG2-CZ2 3.95Å; I245-W247 PolarHBondContact O-NE1 3.48Å
246	P	97.5	Very high	95.6	Very high	54 Å²	54	44.5 Å²	44.5	35%	0.351	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	143.1	177.7	32.8	-35.4	0	0	0	111.5	V239 Y261	V239-P246 WeakPolarHBondContact O-CA 3.41Å; P246-Y261 HydrophobicContact CB-CD1 4.29Å; P246-Y261 HydrophobicContact CB-CD2 3.8Å; P246-Y261 HydrophobicContact CB-CE2 4.29Å; P246-Y261 HydrophobicContact CB-CG 3.79Å; P246-Y261 HydrophobicContact CG-CD1 4.28Å; P246-Y261 HydrophobicContact CG-CG 4.04Å
247	W	97.4	Very high	95.8	Very high	25 Å²	25	43.8 Å²	43.8	10%	0.095	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	151.7	179.9	-61.6	100.6	0	0	0	109.7	V239 D241 I245 Q258 D260	V239-W247 HydrophobicContact CG2-CB 4.13Å; V239-W247 PolarHBondContact N-O 2.86Å; V239-W247 PolarHBondContact O-N 3Å; V239-W247 VanDerWaalsContact O-O 3.12Å; D241-W247 VanDerWaalsContact CG-NE1 3.35Å; D241-W247 PolarHBondContact OD2-NE1 2.81Å; I245-W247 HydrophobicContact CG2-CZ2 3.95Å; I245-W247 PolarHBondContact O-NE1 3.48Å; W247-Q258 HydrophobicContact CB-CG 4.43Å; W247-Q258 HydrophobicContact CD2-CG 4.25Å; W247-Q258 VanDerWaalsContact CE2-NE2 3.27Å; W247-Q258 HydrophobicContact CE3-CG 3.99Å; W247-Q258 HydrophobicContact CG-CG 4.46Å; W247-D260 VanDerWaalsContact CZ3-OD1 3.25Å; W247-D260 WeakPolarHBondContact CZ3-OD1 3.39Å
248	W	96.9	Very high	95.9	Very high	40 Å²	40	43.6 Å²	43.6	15%	0.152	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.6	161.9	-70.2	109.7	0	0	0	109.6	Y236 A238 Y259 Y261 K264	Y236-W248 HydrophobicContact CD1-CB 4.27Å; A238-W248 HydrophobicContact CB-CE3 4.17Å; A238-W248 HydrophobicContact CB-CH2 4.06Å; A238-W248 HydrophobicContact CB-CZ3 3.75Å; W248-Y259 HydrophobicContact CB-CD2 4.5Å; W248-Y259 PolarHBondContact N-O 3.41Å; W248-Y259 PolarHBondContact O-N 2.87Å; W248-Y261 HydrophobicContact CD2-CD2 4.5Å; W248-Y261 AromaticContact CE2-CD2 3.98Å; W248-Y261 AromaticContact CE2-CE2 3.89Å; W248-Y261 HydrophobicContact CZ2-CD2 4.46Å; W248-Y261 AromaticContact CZ2-CE2 3.92Å; W248-Y261 HydrophobicContact CZ2-CE2 3.92Å; W248-Y261 AromaticContact NE1-CD2 3.69Å; W248-Y261 PolarHBondContact NE1-O 2.88Å; W248-K264 HydrophobicContact CD2-CD 4.37Å; W248-K264 HydrophobicContact CG-CG 4.29Å
249	L	97.3	Very high	96	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	115.9	169.8	-168.7	77.3	0	0	0	108.3	Y237 V239 I256 F257 F286 W314 I324	Y237-L249 PolarHBondContact N-O 3.25Å; Y237-L249 PolarHBondContact O-N 2.77Å; V239-L249 HydrophobicContact CG1-CB 4.23Å; V239-L249 HydrophobicContact CG2-CB 3.94Å; L249-I256 HydrophobicContact CD1-CG2 3.79Å; L249-I256 HydrophobicContact CG-CG2 4.27Å; L249-F257 CarbonylContact C-O 3.52Å; L249-F257 WeakPolarHBondContact CA-O 3.49Å; L249-F286 HydrophobicContact CD2-CD1 3.93Å; L249-F286 HydrophobicContact CD2-CE1 3.91Å; L249-W314 HydrophobicContact CD1-CD2 4Å; L249-W314 HydrophobicContact CD1-CE3 4.19Å; L249-W314 HydrophobicContact CD1-CH2 4.12Å; L249-W314 HydrophobicContact CD1-CZ2 3.94Å; L249-W314 HydrophobicContact CD1-CZ3 4.25Å; L249-I324 HydrophobicContact CD2-CD1 4.44Å; L249-I324 HydrophobicContact CD2-CG2 3.73Å
250	G	96.6	Very high	96	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	137.3	176.7	0	0	0	0	0	112	H235 I256 F257	H235-G250 CarbonylContact O-C 3.58Å; H235-G250 WeakPolarHBondContact O-CA 3.21Å; G250-I256 WeakPolarHBondContact O-CA 3.25Å; G250-F257 PolarHBondContact N-O 2.85Å; G250-F257 PolarHBondContact O-N 2.88Å
251	L	96.8	Very high	95.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.4	173.4	-58.5	179.3	0	0	0	109.9	H235 Y237 I256 I324 M327 A328	H235-L251 HydrophobicContact CB-CB 4.46Å; H235-L251 PolarHBondContact CD2-O 3.04Å; H235-L251 PolarHBondContact N-O 3.33Å; H235-L251 PolarHBondContact O-N 2.82Å; Y237-L251 HydrophobicContact CD2-CD1 4.2Å; Y237-L251 HydrophobicContact CD2-CG 4.29Å; Y237-L251 HydrophobicContact CE2-CB 4.41Å; Y237-L251 HydrophobicContact CE2-CD1 3.67Å; Y237-L251 HydrophobicContact CE2-CG 4.02Å; L251-I256 HydrophobicContact CD2-CB 4.15Å; L251-I256 HydrophobicContact CD2-CD1 4.14Å; L251-I256 HydrophobicContact CD2-CG1 3.68Å; L251-I256 HydrophobicContact CD2-CG2 3.89Å; L251-I324 HydrophobicContact CD1-CG2 4.41Å; L251-M327 HydrophobicContact CB-CG 4.18Å; L251-M327 HydrophobicContact CD1-CB 3.7Å; L251-M327 HydrophobicContact CD1-CG 3.58Å; L251-A328 HydrophobicContact CD1-CB 4.11Å; L251-A328 HydrophobicContact CD2-CB 4.23Å
252	S	94.6	Very high	95.8	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.021	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	176.5	178	77.4	0	0	0	0	112.6	G233 K254 G255 F257 W273	G233-S252 WeakPolarHBondContact O-CB 3.44Å; S252-K254 PolarHBondContact O-N 3.03Å; S252-K254 PolarHBondContact OG-N 2.87Å; S252-G255 PolarHBondContact N-O 2.91Å; S252-G255 VanDerWaalsContact N-O 3.07Å; S252-G255 PolarHBondContact O-N 2.87Å; S252-G255 VanDerWaalsContact O-N 3.15Å; S252-F257 VanDerWaalsContact OG-CE2 3.3Å; S252-F257 WeakPolarHBondContact OG-CE2 3.45Å; S252-W273 PolarHBondContact O-NE1 2.99Å
253	Y	91.9	Very high	95.8	Very high	37 Å²	37	45.9 Å²	45.9	15%	0.145	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.7	175.1	66.6	-90.1	0	0	0	113.8	Y118 E120 W273	Y118-Y253 WeakPolarHBondContact O-CB 3.4Å; Y118-Y253 WeakPolarHBondContact O-CD1 3.4Å; E120-Y253 WeakPolarHBondContact CA-OH 3.33Å; E120-Y253 HydrophobicContact CB-CE2 3.72Å; E120-Y253 HydrophobicContact CG-CE2 4.19Å; Y253-W273 VanDerWaalsContact O-CD1 3.29Å; Y253-W273 PolarHBondContact O-NE1 3.08Å
254	K	93.1	Very high	95.6	Very high	97 Å²	97	40.5 Å²	40.5	42%	0.422	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-29.6	177.3	-75.4	167	165.9	150.8	0	113.5	E120 S252 F257	E120-K254 WeakPolarHBondContact OE1-CE 3.37Å; E120-K254 IonicContact OE1-NZ 3.24Å; E120-K254 PolarHBondContact OE1-NZ 2.85Å; S252-K254 PolarHBondContact O-N 3.03Å; S252-K254 PolarHBondContact OG-N 2.87Å; K254-F257 HydrophobicContact CB-CE2 4.04Å; K254-F257 HydrophobicContact CB-CZ 3.75Å
255	G	95.4	Very high	95.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.3	-156.8	-176.2	0	0	0	0	0	114.7	S252 F257 F271	S252-G255 PolarHBondContact N-O 2.91Å; S252-G255 VanDerWaalsContact N-O 3.07Å; S252-G255 PolarHBondContact O-N 2.87Å; S252-G255 VanDerWaalsContact O-N 3.15Å; G255-F257 WeakPolarHBondContact O-CD2 3.36Å; G255-F257 WeakPolarHBondContact O-CE2 3.42Å; G255-F271 WeakPolarHBondContact CA-O 3.47Å
256	I	97.5	Very high	95.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.3	172.4	-53.4	-174.5	0	0	0	108.5	L249 G250 L251 F271 W273 L276 L279 F286 V288 A328	L249-I256 HydrophobicContact CD1-CG2 3.79Å; L249-I256 HydrophobicContact CG-CG2 4.27Å; G250-I256 WeakPolarHBondContact O-CA 3.25Å; L251-I256 HydrophobicContact CD2-CB 4.15Å; L251-I256 HydrophobicContact CD2-CD1 4.14Å; L251-I256 HydrophobicContact CD2-CG1 3.68Å; L251-I256 HydrophobicContact CD2-CG2 3.89Å; I256-F271 HydrophobicContact CB-CB 4.44Å; I256-F271 HydrophobicContact CB-CD2 4.27Å; I256-F271 HydrophobicContact CG2-CD2 4.23Å; I256-F271 PolarHBondContact N-O 2.82Å; I256-F271 WeakPolarHBondContact O-CD2 3.4Å; I256-F271 PolarHBondContact O-N 3.46Å; I256-W273 HydrophobicContact CD1-CH2 4.11Å; I256-W273 HydrophobicContact CD1-CZ3 4.07Å; I256-W273 HydrophobicContact CG1-CH2 3.66Å; I256-W273 HydrophobicContact CG1-CZ2 4.36Å; I256-W273 HydrophobicContact CG1-CZ3 3.92Å; I256-L276 HydrophobicContact CD1-CD1 3.82Å; I256-L276 HydrophobicContact CG1-CD1 4.09Å; I256-L279 HydrophobicContact CD1-CD2 4.15Å; I256-F286 HydrophobicContact CD1-CE1 4.49Å; I256-F286 HydrophobicContact CD1-CZ 4.21Å; I256-V288 HydrophobicContact CD1-CG1 4.45Å; I256-V288 HydrophobicContact CD1-CG2 3.97Å; I256-A328 HydrophobicContact CD1-CB 4.42Å
257	F	97.3	Very high	95.3	Very high	22 Å²	22	44.5 Å²	44.5	10%	0.096	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.5	-171.7	-65.3	-103.5	0	0	0	110.5	L249 G250 S252 K254 G255 Y259 P267 K269 V270	L249-F257 CarbonylContact C-O 3.52Å; L249-F257 WeakPolarHBondContact CA-O 3.49Å; G250-F257 PolarHBondContact N-O 2.85Å; G250-F257 PolarHBondContact O-N 2.88Å; S252-F257 VanDerWaalsContact OG-CE2 3.3Å; S252-F257 WeakPolarHBondContact OG-CE2 3.45Å; K254-F257 HydrophobicContact CB-CE2 4.04Å; K254-F257 HydrophobicContact CB-CZ 3.75Å; G255-F257 WeakPolarHBondContact O-CD2 3.36Å; G255-F257 WeakPolarHBondContact O-CE2 3.42Å; F257-Y259 HydrophobicContact CB-CD2 4.15Å; F257-Y259 HydrophobicContact CB-CE2 3.36Å; F257-Y259 HydrophobicContact CG-CE2 4.31Å; F257-P267 HydrophobicContact CB-CB 4.37Å; F257-P267 HydrophobicContact CD1-CB 3.87Å; F257-P267 HydrophobicContact CD1-CG 4Å; F257-K269 WeakPolarHBondContact CA-O 3.24Å; F257-V270 HydrophobicContact CD1-CB 4.3Å; F257-V270 HydrophobicContact CD1-CG1 4.07Å; F257-V270 HydrophobicContact CD1-CG2 3.8Å; F257-V270 HydrophobicContact CE1-CB 4.23Å; F257-V270 HydrophobicContact CE1-CG1 3.57Å; F257-V270 HydrophobicContact CE1-CG2 3.82Å; F257-V270 HydrophobicContact CZ-CG1 4.01Å
258	Q	97.3	Very high	95.2	Very high	6 Å²	6	51 Å²	51	3%	0.028	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.6	171.4	-178.9	-173	-22.6	0	0	108.9	W247 P267 R268 K269 F271 W314	W247-Q258 HydrophobicContact CB-CG 4.43Å; W247-Q258 HydrophobicContact CD2-CG 4.25Å; W247-Q258 VanDerWaalsContact CE2-NE2 3.27Å; W247-Q258 HydrophobicContact CE3-CG 3.99Å; W247-Q258 HydrophobicContact CG-CG 4.46Å; Q258-P267 CarbonylContact O-C 3.5Å; Q258-R268 PolarHBondContact O-N 2.68Å; Q258-K269 HydrophobicContact CB-CB 4.18Å; Q258-K269 PolarHBondContact N-O 2.72Å; Q258-K269 PolarHBondContact O-N 2.85Å; Q258-K269 VanDerWaalsContact O-N 3.1Å; Q258-K269 VanDerWaalsContact OE1-NZ 3.11Å; Q258-F271 HydrophobicContact CB-CE2 4.47Å; Q258-W314 HydrophobicContact CB-CZ2 4.44Å
259	Y	97.3	Very high	95.1	Very high	4 Å²	4	53 Å²	53	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	156.2	177.4	-46.6	-115.4	0	0	0	111	V234 Y236 W248 F257 D263 K264 K266 P267	V234-Y259 HydrophobicContact CG1-CE2 4.4Å; Y236-Y259 HydrophobicContact CD1-CE2 4.39Å; Y236-Y259 HydrophobicContact CE1-CD2 4.04Å; Y236-Y259 HydrophobicContact CE1-CE1 4.31Å; Y236-Y259 AromaticContact CE1-CE2 3.72Å; Y236-Y259 HydrophobicContact CE1-CE2 3.72Å; Y236-Y259 HydrophobicContact CE1-CG 4.48Å; Y236-Y259 AromaticContact CE1-CZ 3.88Å; W248-Y259 HydrophobicContact CB-CD2 4.5Å; W248-Y259 PolarHBondContact N-O 3.41Å; W248-Y259 PolarHBondContact O-N 2.87Å; F257-Y259 HydrophobicContact CB-CD2 4.15Å; F257-Y259 HydrophobicContact CB-CE2 3.36Å; F257-Y259 HydrophobicContact CG-CE2 4.31Å; Y259-D263 VanDerWaalsContact CB-O 3.27Å; Y259-D263 WeakPolarHBondContact CB-O 3.4Å; Y259-K264 WeakPolarHBondContact CD1-O 3.3Å; Y259-K264 WeakPolarHBondContact CE1-O 3.34Å; Y259-K266 VanDerWaalsContact CD1-C 3.48Å; Y259-P267 VanDerWaalsContact CD1-CA 3.45Å; Y259-P267 HydrophobicContact CD1-CB 3.84Å; Y259-P267 HydrophobicContact CE1-CB 3.69Å; Y259-P267 HydrophobicContact CE1-CG 4.09Å; Y259-P267 HydrophobicContact CE2-CB 4.42Å; Y259-P267 HydrophobicContact CG-CB 4.27Å
260	D	96.1	Very high	94.9	Very high	41 Å²	41	55.9 Å²	55.9	22%	0.219	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	149.1	170.8	-80	-40.9	0	0	0	111.1	W247 Q262 D263 R268	W247-D260 VanDerWaalsContact CZ3-OD1 3.25Å; W247-D260 WeakPolarHBondContact CZ3-OD1 3.39Å; D260-Q262 PolarHBondContact O-N 3.03Å; D260-D263 HydrophobicContact CB-CB 4.49Å; D260-D263 PolarHBondContact O-N 3.44Å; D260-D263 VanDerWaalsContact O-O 3.05Å; D260-R268 VanDerWaalsContact CG-CZ 3.47Å; D260-R268 IonicContact OD1-CZ 3.2Å; D260-R268 IonicContact OD1-NE 2.71Å; D260-R268 PolarHBondContact OD1-NE 3.36Å; D260-R268 IonicContact OD1-NH1 2.74Å; D260-R268 IonicContact OD1-NH2 3.65Å; D260-R268 PolarHBondContact OD1-NH2 3.46Å; D260-R268 IonicContact OD2-CZ 2.77Å; D260-R268 IonicContact OD2-NE 2.93Å; D260-R268 PolarHBondContact OD2-NE 3.31Å; D260-R268 IonicContact OD2-NH2 2.8Å; D260-R268 PolarHBondContact OD2-NH2 3.02Å
261	Y	94.5	Very high	94.9	Very high	118 Å²	118	56.3 Å²	56.3	46%	0.463	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.1	-179.8	-163.4	-110.1	0	0	0	114.2	A238 P246 W248	A238-Y261 HydrophobicContact CB-CE2 4.34Å; P246-Y261 HydrophobicContact CB-CD1 4.29Å; P246-Y261 HydrophobicContact CB-CD2 3.8Å; P246-Y261 HydrophobicContact CB-CE2 4.29Å; P246-Y261 HydrophobicContact CB-CG 3.79Å; P246-Y261 HydrophobicContact CG-CD1 4.28Å; P246-Y261 HydrophobicContact CG-CG 4.04Å; W248-Y261 HydrophobicContact CD2-CD2 4.5Å; W248-Y261 AromaticContact CE2-CD2 3.98Å; W248-Y261 AromaticContact CE2-CE2 3.89Å; W248-Y261 HydrophobicContact CZ2-CD2 4.46Å; W248-Y261 AromaticContact CZ2-CE2 3.92Å; W248-Y261 HydrophobicContact CZ2-CE2 3.92Å; W248-Y261 AromaticContact NE1-CD2 3.69Å; W248-Y261 PolarHBondContact NE1-O 2.88Å
262	Q	94.4	Very high	94.8	Very high	196 Å²	196	59.5 Å²	59.5	92%	0.916	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-7.3	-178.7	-65	177.3	-10.6	0	0	114.4	D260	D260-Q262 PolarHBondContact O-N 3.03Å
263	D	92.9	Very high	94.8	Very high	47 Å²	47	59.6 Å²	59.6	25%	0.251	27%	0.274	S	S	.	.			trans	-140.8	108.5	-176.3	179.4	-21.1	0	0	0	108.4	Y259 D260 V265 K266	Y259-D263 VanDerWaalsContact CB-O 3.27Å; Y259-D263 WeakPolarHBondContact CB-O 3.4Å; D260-D263 HydrophobicContact CB-CB 4.49Å; D260-D263 PolarHBondContact O-N 3.44Å; D260-D263 VanDerWaalsContact O-O 3.05Å; D263-V265 WeakPolarHBondContact OD1-CA 3.35Å; D263-V265 WeakPolarHBondContact OD1-CB 3.19Å; D263-V265 PolarHBondContact OD1-N 3.14Å; D263-K266 PolarHBondContact OD1-N 2.7Å
264	K	92.6	Very high	94.7	Very high	52 Å²	52	66 Å²	66	23%	0.226	30%	0.298	C	S	.	.	S	Bend	trans	-90	-4.8	175.1	-57.7	-160.3	-156.7	86.7	0	113.2	E148 Y236 W248 Y259	E148-K264 WeakPolarHBondContact OE1-CG 2.75Å; E148-K264 IonicContact OE1-NZ 2.72Å; E148-K264 PolarHBondContact OE1-NZ 2.72Å; E148-K264 WeakPolarHBondContact OE2-CB 3.38Å; Y236-K264 HydrophobicContact CD1-CB 4.27Å; Y236-K264 HydrophobicContact CD1-CD 3.9Å; Y236-K264 HydrophobicContact CD1-CG 4.34Å; Y236-K264 HydrophobicContact CD2-CD 4.33Å; Y236-K264 HydrophobicContact CE1-CB 3.66Å; Y236-K264 HydrophobicContact CE1-CD 4.11Å; Y236-K264 HydrophobicContact CE1-CG 4.22Å; Y236-K264 WeakPolarHBondContact CE1-O 3.33Å; Y236-K264 HydrophobicContact CG-CD 4.02Å; Y236-K264 PolarHBondContact OH-O 3.45Å; W248-K264 HydrophobicContact CD2-CD 4.37Å; W248-K264 HydrophobicContact CG-CG 4.29Å; Y259-K264 WeakPolarHBondContact CD1-O 3.3Å; Y259-K264 WeakPolarHBondContact CE1-O 3.34Å
265	V	92.7	Very high	94.7	Very high	50 Å²	50	64 Å²	64	30%	0.303	29%	0.29	S	S	.	.	S	Bend	trans	-87	-42.8	-173.9	-173.9	0	0	0	0	110.7	P230 T231 D263 P267	P230-V265 HydrophobicContact CB-CG1 3.83Å; P230-V265 HydrophobicContact CG-CG1 3.85Å; T231-V265 HydrophobicContact CG2-CG2 4.08Å; D263-V265 WeakPolarHBondContact OD1-CA 3.35Å; D263-V265 WeakPolarHBondContact OD1-CB 3.19Å; D263-V265 PolarHBondContact OD1-N 3.14Å; V265-P267 WeakPolarHBondContact O-CD 3.37Å
266	K	93.9	Very high	94.6	Very high	146 Å²	146	64 Å²	64	64%	0.635	29%	0.29	S	S	*	.	S	Bend	trans	-109	105.4	-171.4	-65.4	170	-172.8	158.8	0	112	Y259 D263 R268	Y259-K266 VanDerWaalsContact CD1-C 3.48Å; D263-K266 PolarHBondContact OD1-N 2.7Å; K266-R268 PolarHBondContact O-N 3Å
267	P	95.1	Very high	94.3	Very high	50 Å²	50	65.6 Å²	65.6	33%	0.325	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	124.1	-179.4	28.4	-32.9	0	0	0	111.6	F257 Q258 Y259 V265 K269 V270	F257-P267 HydrophobicContact CB-CB 4.37Å; F257-P267 HydrophobicContact CD1-CB 3.87Å; F257-P267 HydrophobicContact CD1-CG 4Å; Q258-P267 CarbonylContact O-C 3.5Å; Y259-P267 VanDerWaalsContact CD1-CA 3.45Å; Y259-P267 HydrophobicContact CD1-CB 3.84Å; Y259-P267 HydrophobicContact CE1-CB 3.69Å; Y259-P267 HydrophobicContact CE1-CG 4.09Å; Y259-P267 HydrophobicContact CE2-CB 4.42Å; Y259-P267 HydrophobicContact CG-CB 4.27Å; V265-P267 WeakPolarHBondContact O-CD 3.37Å; P267-K269 VanDerWaalsContact C-N 3.28Å; P267-K269 PolarHBondContact O-N 3.16Å; P267-V270 HydrophobicContact CB-CG2 4.11Å; P267-V270 HydrophobicContact CG-CG2 3.87Å
268	R	95.1	Very high	94.1	Very high	160 Å²	160	65.8 Å²	65.8	60%	0.604	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	-29.5	169.9	-76	-147	-178.3	176.5	11.2	113.1	Q258 D260 K266	Q258-R268 PolarHBondContact O-N 2.68Å; D260-R268 VanDerWaalsContact CG-CZ 3.47Å; D260-R268 IonicContact OD1-CZ 3.2Å; D260-R268 IonicContact OD1-NE 2.71Å; D260-R268 PolarHBondContact OD1-NE 3.36Å; D260-R268 IonicContact OD1-NH1 2.74Å; D260-R268 IonicContact OD1-NH2 3.65Å; D260-R268 PolarHBondContact OD1-NH2 3.46Å; D260-R268 IonicContact OD2-CZ 2.77Å; D260-R268 IonicContact OD2-NE 2.93Å; D260-R268 PolarHBondContact OD2-NE 3.31Å; D260-R268 IonicContact OD2-NH2 2.8Å; D260-R268 PolarHBondContact OD2-NH2 3.02Å; K266-R268 PolarHBondContact O-N 3Å
269	K	93.8	Very high	94.1	Very high	83 Å²	83	65.5 Å²	65.5	36%	0.361	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143.4	174.9	-55.4	178.4	-168.6	154.3	0	111.2	F257 Q258 P267 F271	F257-K269 WeakPolarHBondContact CA-O 3.24Å; Q258-K269 HydrophobicContact CB-CB 4.18Å; Q258-K269 PolarHBondContact N-O 2.72Å; Q258-K269 PolarHBondContact O-N 2.85Å; Q258-K269 VanDerWaalsContact O-N 3.1Å; Q258-K269 VanDerWaalsContact OE1-NZ 3.11Å; P267-K269 VanDerWaalsContact C-N 3.28Å; P267-K269 PolarHBondContact O-N 3.16Å; K269-F271 HydrophobicContact CB-CE1 3.85Å; K269-F271 HydrophobicContact CB-CE2 4.05Å; K269-F271 HydrophobicContact CB-CZ 3.52Å; K269-F271 HydrophobicContact CD-CE1 4.06Å; K269-F271 HydrophobicContact CD-CZ 3.58Å; K269-F271 HydrophobicContact CG-CZ 4.2Å
270	V	94.9	Very high	93.9	Very high	61 Å²	61	68.8 Å²	68.8	37%	0.37	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	122.4	178.5	-178.6	0	0	0	0	108.2	F257 P267 Q272	F257-V270 HydrophobicContact CD1-CB 4.3Å; F257-V270 HydrophobicContact CD1-CG1 4.07Å; F257-V270 HydrophobicContact CD1-CG2 3.8Å; F257-V270 HydrophobicContact CE1-CB 4.23Å; F257-V270 HydrophobicContact CE1-CG1 3.57Å; F257-V270 HydrophobicContact CE1-CG2 3.82Å; F257-V270 HydrophobicContact CZ-CG1 4.01Å; P267-V270 HydrophobicContact CB-CG2 4.11Å; P267-V270 HydrophobicContact CG-CG2 3.87Å; V270-Q272 HydrophobicContact CG1-CG 4.07Å
271	F	95.1	Very high	93.8	Very high	10 Å²	10	67.3 Å²	67.3	4%	0.044	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	95.2	178.5	-40.8	-68.7	0	0	0	108.5	G255 I256 Q258 K269 L276 V290 H312 W314	G255-F271 WeakPolarHBondContact CA-O 3.47Å; I256-F271 HydrophobicContact CB-CB 4.44Å; I256-F271 HydrophobicContact CB-CD2 4.27Å; I256-F271 HydrophobicContact CG2-CD2 4.23Å; I256-F271 PolarHBondContact N-O 2.82Å; I256-F271 WeakPolarHBondContact O-CD2 3.4Å; I256-F271 PolarHBondContact O-N 3.46Å; Q258-F271 HydrophobicContact CB-CE2 4.47Å; K269-F271 HydrophobicContact CB-CE1 3.85Å; K269-F271 HydrophobicContact CB-CE2 4.05Å; K269-F271 HydrophobicContact CB-CZ 3.52Å; K269-F271 HydrophobicContact CD-CE1 4.06Å; K269-F271 HydrophobicContact CD-CZ 3.58Å; K269-F271 HydrophobicContact CG-CZ 4.2Å; F271-L276 HydrophobicContact CB-CD2 3.58Å; F271-V290 HydrophobicContact CB-CG2 4.18Å; F271-V290 HydrophobicContact CD1-CG1 4.22Å; F271-V290 HydrophobicContact CD1-CG2 3.81Å; F271-V290 HydrophobicContact CE1-CG2 4.4Å; F271-V290 HydrophobicContact CG-CG2 4.11Å; F271-H312 AromaticContact CD1-CD2 3.96Å; F271-H312 AromaticContact CE1-CD2 3.15Å; F271-H312 WeakPolarHBondContact CE1-CD2 3.33Å; F271-H312 AromaticContact CE1-NE2 3.4Å; F271-H312 WeakPolarHBondContact CE1-NE2 3.03Å; F271-H312 HydrophobicContact CZ-CB 4.4Å; F271-H312 AromaticContact CZ-CD2 3.32Å; F271-H312 WeakPolarHBondContact CZ-CD2 3.42Å; F271-H312 AromaticContact CZ-CG 3.87Å; F271-H312 AromaticContact CZ-NE2 3.86Å; F271-W314 HydrophobicContact CD2-CH2 4.32Å; F271-W314 AromaticContact CE2-CH2 3.61Å; F271-W314 HydrophobicContact CE2-CH2 3.61Å; F271-W314 AromaticContact CE2-CZ2 3.77Å; F271-W314 HydrophobicContact CE2-CZ2 3.77Å; F271-W314 HydrophobicContact CZ-CH2 4.23Å; F271-W314 HydrophobicContact CZ-CZ2 4.25Å
272	Q	95	Very high	93.7	Very high	67 Å²	67	68 Å²	68	31%	0.313	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	146.8	-173.9	-58.5	178.2	-17.4	0	0	110.6	V270 R274 Q275	V270-Q272 HydrophobicContact CG1-CG 4.07Å; Q272-R274 HydrophobicContact CB-CG 4.15Å; Q272-R274 PolarHBondContact O-N 3.21Å; Q272-R274 VanDerWaalsContact OE1-CZ 3.23Å; Q272-Q275 HydrophobicContact CB-CG 4.36Å; Q272-Q275 WeakPolarHBondContact O-CB 3.23Å; Q272-Q275 PolarHBondContact O-N 3.36Å
273	W	94.8	Very high	93.5	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.015	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-32	-178.8	-65.7	121.8	0	0	0	114.2	S252 Y253 I256 Q275 L276 A328 Q331 H332 Y335	S252-W273 PolarHBondContact O-NE1 2.99Å; Y253-W273 VanDerWaalsContact O-CD1 3.29Å; Y253-W273 PolarHBondContact O-NE1 3.08Å; I256-W273 HydrophobicContact CD1-CH2 4.11Å; I256-W273 HydrophobicContact CD1-CZ3 4.07Å; I256-W273 HydrophobicContact CG1-CH2 3.66Å; I256-W273 HydrophobicContact CG1-CZ2 4.36Å; I256-W273 HydrophobicContact CG1-CZ3 3.92Å; W273-Q275 VanDerWaalsContact C-N 3.32Å; W273-Q275 PolarHBondContact O-N 3.28Å; W273-L276 HydrophobicContact CE3-CD1 3.56Å; W273-L276 HydrophobicContact CZ3-CD1 3.64Å; W273-A328 HydrophobicContact CH2-CB 4.42Å; W273-A328 WeakPolarHBondContact CH2-O 3.42Å; W273-Q331 HydrophobicContact CH2-CB 3.99Å; W273-Q331 HydrophobicContact CZ2-CB 3.44Å; W273-Q331 VanDerWaalsContact CZ2-CB 3.44Å; W273-Q331 HydrophobicContact CZ2-CG 4.47Å; W273-H332 HydrophobicContact CD2-CB 4.27Å; W273-H332 AromaticContact CD2-ND1 3.97Å; W273-H332 HydrophobicContact CE3-CB 3.69Å; W273-H332 AromaticContact CE3-CG 3.98Å; W273-H332 AromaticContact CE3-ND1 3.68Å; W273-H332 HydrophobicContact CZ3-CB 3.85Å; W273-Y335 HydrophobicContact CB-CD1 3.67Å; W273-Y335 HydrophobicContact CB-CD2 4.24Å; W273-Y335 HydrophobicContact CB-CE1 3.83Å; W273-Y335 HydrophobicContact CB-CE2 4.38Å; W273-Y335 HydrophobicContact CB-CG 3.9Å; W273-Y335 AromaticContact CD1-CD2 3.97Å; W273-Y335 AromaticContact CD1-CG 3.87Å; W273-Y335 HydrophobicContact CG-CD1 4.21Å; W273-Y335 HydrophobicContact CG-CD2 4.4Å; W273-Y335 HydrophobicContact CG-CG 4.03Å
274	R	91	Very high	93.6	Very high	173 Å²	173	67.8 Å²	67.8	65%	0.653	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.9	176.1	66.3	178.6	174.8	169.8	-1.7	115.6	Q272	Q272-R274 HydrophobicContact CB-CG 4.15Å; Q272-R274 PolarHBondContact O-N 3.21Å; Q272-R274 VanDerWaalsContact OE1-CZ 3.23Å
275	Q	91.9	Very high	93.8	Very high	54 Å²	54	69.6 Å²	69.6	25%	0.252	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-19.6	-179.2	-63.3	171.3	-63.4	0	0	112.6	Q272 W273 V290 H291	Q272-Q275 HydrophobicContact CB-CG 4.36Å; Q272-Q275 WeakPolarHBondContact O-CB 3.23Å; Q272-Q275 PolarHBondContact O-N 3.36Å; W273-Q275 VanDerWaalsContact C-N 3.32Å; W273-Q275 PolarHBondContact O-N 3.28Å; Q275-V290 HydrophobicContact CB-CG1 4.03Å; Q275-H291 WeakPolarHBondContact O-CB 3.16Å; Q275-H291 PolarHBondContact O-N 3.08Å
276	L	93.4	Very high	94	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	143.4	-178.1	-42.7	-173.8	0	0	0	110.2	I256 F271 W273 L279 V288 E289 V290 V893 K894	I256-L276 HydrophobicContact CD1-CD1 3.82Å; I256-L276 HydrophobicContact CG1-CD1 4.09Å; F271-L276 HydrophobicContact CB-CD2 3.58Å; W273-L276 HydrophobicContact CE3-CD1 3.56Å; W273-L276 HydrophobicContact CZ3-CD1 3.64Å; L276-L279 HydrophobicContact CD1-CD2 3.9Å; L276-V288 HydrophobicContact CD1-CG1 4.27Å; L276-V288 HydrophobicContact CD2-CG1 3.78Å; L276-V288 HydrophobicContact CG-CG1 4.46Å; L276-E289 WeakPolarHBondContact CA-O 3.37Å; L276-V290 HydrophobicContact CD2-CG1 4.45Å; L276-V290 HydrophobicContact CD2-CG2 3.9Å; L276-V893 HydrophobicContact CB-CB 4.25Å; L276-V893 HydrophobicContact CB-CG1 3.96Å; L276-V893 HydrophobicContact CB-CG2 3.83Å; L276-V893 WeakPolarHBondContact O-CG1 2.96Å; L276-K894 WeakPolarHBondContact O-CE 3.31Å
277	E	91.6	Very high	94.1	Very high	34 Å²	34	60.6 Å²	60.6	16%	0.159	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-54.9	175.3	-61.3	-68.2	178.2	0	0	110.4	E289 H291 I309 V893 K894	E277-E289 HydrophobicContact CB-CB 4.07Å; E277-E289 PolarHBondContact N-O 2.68Å; E277-H291 HydrophobicContact CG-CB 4.33Å; E277-H291 WeakPolarHBondContact OE1-CB 3.35Å; E277-H291 IonicContact OE1-CG 3Å; E277-H291 IonicContact OE1-ND1 3.84Å; E277-I309 HydrophobicContact CG-CD1 4.27Å; E277-I309 HydrophobicContact CG-CG1 4.41Å; E277-V893 WeakPolarHBondContact O-CB 3.31Å; E277-V893 PolarHBondContact O-N 2.65Å; E277-K894 IonicContact OE1-NZ 2.86Å; E277-K894 PolarHBondContact OE1-NZ 3.18Å; E277-K894 WeakPolarHBondContact OE2-CD 3.48Å; E277-K894 WeakPolarHBondContact OE2-CE 3.44Å; E277-K894 IonicContact OE2-NZ 2.8Å; E277-K894 PolarHBondContact OE2-NZ 3.26Å
278	N	93.4	Very high	94.2	Very high	25 Å²	25	58.2 Å²	58.2	13%	0.134	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	145.2	-175.8	-61.2	-65.5	0	0	0	110.4	Y280 E289 H890 Y891 S892	N278-Y280 HydrophobicContact CB-CD2 4.42Å; N278-Y280 HydrophobicContact CB-CE2 3.49Å; N278-Y280 VanDerWaalsContact CB-CE2 3.49Å; N278-Y280 WeakPolarHBondContact CB-OH 3.35Å; N278-E289 HydrophobicContact CB-CB 4.28Å; N278-E289 PolarHBondContact ND2-OE2 2.95Å; N278-E289 PolarHBondContact O-N 2.61Å; N278-H890 PolarHBondContact OD1-NE2 2.71Å; N278-Y891 WeakPolarHBondContact CA-O 3.15Å; N278-S892 VanDerWaalsContact OD1-CA 3.31Å; N278-S892 WeakPolarHBondContact OD1-CA 3.4Å; N278-S892 WeakPolarHBondContact OD1-CB 3.45Å; N278-S892 PolarHBondContact OD1-OG 3.14Å
279	L	95.9	Very high	94.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	145.6	165.5	-44.2	-178.9	0	0	0	108.1	I256 L276 V288 W325 A328 I329 H890 Y891 V893	I256-L279 HydrophobicContact CD1-CD2 4.15Å; L276-L279 HydrophobicContact CD1-CD2 3.9Å; L279-V288 HydrophobicContact CD2-CB 4.37Å; L279-V288 HydrophobicContact CD2-CG1 3.87Å; L279-V288 HydrophobicContact CD2-CG2 3.94Å; L279-W325 VanDerWaalsContact C-CZ3 3.45Å; L279-W325 HydrophobicContact CB-CE3 4.33Å; L279-W325 HydrophobicContact CB-CH2 4.09Å; L279-W325 HydrophobicContact CB-CZ3 3.48Å; L279-W325 VanDerWaalsContact CB-CZ3 3.48Å; L279-W325 WeakPolarHBondContact O-CH2 3.5Å; L279-A328 HydrophobicContact CD1-CB 3.98Å; L279-I329 HydrophobicContact CD1-CG2 4.19Å; L279-H890 PolarHBondContact O-CD2 2.95Å; L279-Y891 HydrophobicContact CD1-CD1 3.83Å; L279-Y891 HydrophobicContact CD1-CE1 4.36Å; L279-Y891 HydrophobicContact CG-CD1 4.07Å; L279-Y891 PolarHBondContact N-O 2.9Å; L279-Y891 PolarHBondContact O-N 2.74Å; L279-V893 HydrophobicContact CD2-CG2 4.08Å; L279-V893 HydrophobicContact CG-CG2 3.91Å
280	Y	94.6	Very high	94.1	Very high	74 Å²	74	48.9 Å²	48.9	29%	0.29	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.1	171.4	-52.4	-96.5	0	0	0	110.7	N278 F286 S287 E289 W325 G889 H890	N278-Y280 HydrophobicContact CB-CD2 4.42Å; N278-Y280 HydrophobicContact CB-CE2 3.49Å; N278-Y280 VanDerWaalsContact CB-CE2 3.49Å; N278-Y280 WeakPolarHBondContact CB-OH 3.35Å; Y280-F286 WeakPolarHBondContact O-CD2 3.4Å; Y280-S287 PolarHBondContact N-O 3.06Å; Y280-S287 PolarHBondContact O-N 3.22Å; Y280-E289 HydrophobicContact CE2-CG 4.05Å; Y280-E289 PolarHBondContact OH-OE1 2.96Å; Y280-W325 VanDerWaalsContact C-CZ3 3.47Å; Y280-G889 WeakPolarHBondContact CA-O 3.39Å; Y280-H890 HydrophobicContact CD1-CB 4.33Å; Y280-H890 AromaticContact CD1-CD2 3.56Å; Y280-H890 HydrophobicContact CE1-CB 4.46Å; Y280-H890 AromaticContact CE1-CD2 3.11Å; Y280-H890 WeakPolarHBondContact CE1-CD2 3.25Å; Y280-H890 AromaticContact CE1-CG 3.88Å; Y280-H890 AromaticContact CE1-NE2 3.62Å; Y280-H890 AromaticContact CZ-CD2 3.58Å; Y280-H890 AromaticContact CZ-NE2 3.7Å; Y280-H890 PolarHBondContact OH-NE2 3Å
281	F	93.9	Very high	93.7	Very high	10 Å²	10	48.3 Å²	48.3	4%	0.044	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.4	157.4	91.7	-80.4	0	0	0	110.6	K285 I321 K322 W325 L883 Q887 E888 G889	F281-K285 WeakPolarHBondContact CA-O 3.41Å; F281-I321 HydrophobicContact CB-CG2 3.91Å; F281-I321 HydrophobicContact CD2-CG2 4.04Å; F281-I321 HydrophobicContact CG-CG2 4.42Å; F281-K322 HydrophobicContact CE2-CG 4.07Å; F281-W325 HydrophobicContact CB-CB 4.26Å; F281-W325 HydrophobicContact CB-CD2 4.12Å; F281-W325 HydrophobicContact CB-CE3 3.87Å; F281-W325 HydrophobicContact CB-CG 4.3Å; F281-W325 HydrophobicContact CB-CZ3 4.47Å; F281-W325 HydrophobicContact CD1-CB 4.18Å; F281-W325 AromaticContact CD1-CD1 3.67Å; F281-W325 AromaticContact CD1-CD2 3.37Å; F281-W325 HydrophobicContact CD1-CD2 3.37Å; F281-W325 AromaticContact CD1-CE2 3.49Å; F281-W325 VanDerWaalsContact CD1-CE2 3.49Å; F281-W325 AromaticContact CD1-CE3 3.87Å; F281-W325 HydrophobicContact CD1-CE3 3.87Å; F281-W325 AromaticContact CD1-CG 3.49Å; F281-W325 HydrophobicContact CD1-CG 3.49Å; F281-W325 VanDerWaalsContact CD1-CG 3.49Å; F281-W325 HydrophobicContact CD1-CH2 4.45Å; F281-W325 HydrophobicContact CD1-CZ2 4.06Å; F281-W325 HydrophobicContact CD1-CZ3 4.38Å; F281-W325 AromaticContact CD1-NE1 3.67Å; F281-W325 AromaticContact CE1-CD1 3.71Å; F281-W325 HydrophobicContact CE1-CD2 4.13Å; F281-W325 AromaticContact CE1-CE2 3.9Å; F281-W325 HydrophobicContact CE1-CG 4.02Å; F281-W325 AromaticContact CE1-NE1 3.63Å; F281-W325 HydrophobicContact CG-CB 4.23Å; F281-W325 HydrophobicContact CG-CD2 4.08Å; F281-W325 HydrophobicContact CG-CE3 4.31Å; F281-W325 HydrophobicContact CG-CG 4.02Å; F281-L883 HydrophobicContact CE1-CD1 4.11Å; F281-L883 HydrophobicContact CZ-CD1 4.36Å; F281-Q887 WeakPolarHBondContact CE2-O 3.43Å; F281-E888 VanDerWaalsContact CE1-C 3.46Å; F281-E888 VanDerWaalsContact O-CA 3.3Å; F281-E888 WeakPolarHBondContact O-CA 3.18Å; F281-G889 PolarHBondContact N-O 2.82Å; F281-G889 PolarHBondContact O-N 2.76Å
282	R	92.7	Very high	92.8	Very high	132 Å²	132	50.1 Å²	50.1	50%	0.498	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	123.4	169.4	-180	170.3	177.8	138.5	-5.5	109.8	K284 K285 Q887 E888	R282-K284 PolarHBondContact O-N 3.43Å; R282-K285 PolarHBondContact N-O 3.12Å; R282-K285 WeakPolarHBondContact O-CB 3.43Å; R282-K285 PolarHBondContact O-N 3.44Å; R282-Q887 WeakPolarHBondContact CA-O 3.04Å; R282-E888 HydrophobicContact CB-CB 4.02Å; R282-E888 VanDerWaalsContact CD-OE2 3.3Å; R282-E888 WeakPolarHBondContact CD-OE2 3.32Å; R282-E888 HydrophobicContact CG-CB 4Å; R282-E888 IonicContact CZ-OE2 3.02Å; R282-E888 IonicContact NE-OE2 2.95Å; R282-E888 IonicContact NH1-OE1 2.71Å; R282-E888 PolarHBondContact NH1-OE1 3.3Å; R282-E888 IonicContact NH1-OE2 3.11Å; R282-E888 PolarHBondContact NH1-OE2 3.12Å
283	E	90.2	Very high	91.4	Very high	109 Å²	109	50.2 Å²	50.2	51%	0.509	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	-101	179.4	-59.3	163.8	-134	0	0	113.2	P318 Q887	E283-P318 WeakPolarHBondContact O-CA 3.25Å; E283-P318 WeakPolarHBondContact O-CB 3.35Å; E283-Q887 PolarHBondContact N-O 3.17Å
284	K	94.2	Very high	89.8	Confident	130 Å²	130	59.9 Å²	59.9	57%	0.565	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	4	-177.7	-67.5	179.7	-176.9	173	0	113.5	R282 Y315 A316 P318	R282-K284 PolarHBondContact O-N 3.43Å; K284-Y315 WeakPolarHBondContact O-CA 3.32Å; K284-A316 WeakPolarHBondContact CB-O 3.45Å; K284-A316 PolarHBondContact O-N 3.12Å; K284-A316 VanDerWaalsContact O-N 3.08Å; K284-P318 HydrophobicContact CG-CG 3.85Å
285	K	95.8	Very high	88.1	Confident	90 Å²	90	53.4 Å²	53.4	39%	0.391	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.6	-169.5	179.4	-174	159.7	-172.4	0	110.9	F281 R282 S287 T313 W314 Y315	F281-K285 WeakPolarHBondContact CA-O 3.41Å; R282-K285 PolarHBondContact N-O 3.12Å; R282-K285 WeakPolarHBondContact O-CB 3.43Å; R282-K285 PolarHBondContact O-N 3.44Å; K285-S287 WeakPolarHBondContact CE-OG 3.28Å; K285-T313 HydrophobicContact CD-CG2 4.09Å; K285-T313 HydrophobicContact CG-CG2 3.69Å; K285-W314 WeakPolarHBondContact CA-O 3.49Å; K285-Y315 HydrophobicContact CB-CD1 3.94Å; K285-Y315 HydrophobicContact CB-CE1 3.8Å; K285-Y315 HydrophobicContact CD-CE1 4.15Å; K285-Y315 HydrophobicContact CG-CD1 4.27Å; K285-Y315 HydrophobicContact CG-CE1 3.78Å
286	F	97.6	Very high	86.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.6	167.1	176.1	-115.3	0	0	0	108.7	L249 I256 Y280 V288 T313 W314 I321 I324 W325 A328	L249-F286 HydrophobicContact CD2-CD1 3.93Å; L249-F286 HydrophobicContact CD2-CE1 3.91Å; I256-F286 HydrophobicContact CD1-CE1 4.49Å; I256-F286 HydrophobicContact CD1-CZ 4.21Å; Y280-F286 WeakPolarHBondContact O-CD2 3.4Å; F286-V288 HydrophobicContact CD1-CG2 4.28Å; F286-V288 HydrophobicContact CE1-CG2 3.49Å; F286-V288 VanDerWaalsContact CE1-CG2 3.49Å; F286-V288 HydrophobicContact CE2-CG2 4.34Å; F286-V288 HydrophobicContact CZ-CG2 3.53Å; F286-T313 VanDerWaalsContact O-CA 3.32Å; F286-T313 WeakPolarHBondContact O-CA 3.11Å; F286-W314 AromaticContact CD1-CE3 3.94Å; F286-W314 HydrophobicContact CD1-CE3 3.94Å; F286-W314 HydrophobicContact CD1-CZ3 4.35Å; F286-W314 HydrophobicContact CE1-CE3 4.4Å; F286-W314 HydrophobicContact CE1-CZ3 4.38Å; F286-W314 PolarHBondContact N-O 3.36Å; F286-W314 PolarHBondContact O-N 3.28Å; F286-I321 HydrophobicContact CB-CD1 3.81Å; F286-I321 HydrophobicContact CB-CG2 4.36Å; F286-I324 HydrophobicContact CD1-CG2 3.73Å; F286-I324 HydrophobicContact CD2-CG2 4.23Å; F286-I324 HydrophobicContact CE1-CG2 3.79Å; F286-I324 HydrophobicContact CE2-CG2 4.28Å; F286-I324 HydrophobicContact CG-CG2 3.96Å; F286-I324 HydrophobicContact CZ-CG2 4.07Å; F286-W325 HydrophobicContact CD2-CE3 4.21Å; F286-W325 AromaticContact CE2-CE3 3.94Å; F286-W325 HydrophobicContact CE2-CE3 3.94Å; F286-W325 HydrophobicContact CE2-CZ3 4.45Å; F286-A328 HydrophobicContact CZ-CB 4.19Å
287	S	96.3	Very high	84.1	Confident	6 Å²	6	64.4 Å²	64.4	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.3	-179.3	-66.7	0	0	0	0	111.7	Y280 K285 H312 T313	Y280-S287 PolarHBondContact N-O 3.06Å; Y280-S287 PolarHBondContact O-N 3.22Å; K285-S287 WeakPolarHBondContact CE-OG 3.28Å; S287-H312 VanDerWaalsContact CA-O 3.25Å; S287-H312 WeakPolarHBondContact CA-O 3.4Å; S287-T313 PolarHBondContact OG-OG1 2.96Å
288	V	96.3	Very high	82.1	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.5	-177.8	178.6	0	0	0	0	108.8	I256 L276 L279 F286 V290 H312 W314	I256-V288 HydrophobicContact CD1-CG1 4.45Å; I256-V288 HydrophobicContact CD1-CG2 3.97Å; L276-V288 HydrophobicContact CD1-CG1 4.27Å; L276-V288 HydrophobicContact CD2-CG1 3.78Å; L276-V288 HydrophobicContact CG-CG1 4.46Å; L279-V288 HydrophobicContact CD2-CB 4.37Å; L279-V288 HydrophobicContact CD2-CG1 3.87Å; L279-V288 HydrophobicContact CD2-CG2 3.94Å; F286-V288 HydrophobicContact CD1-CG2 4.28Å; F286-V288 HydrophobicContact CE1-CG2 3.49Å; F286-V288 VanDerWaalsContact CE1-CG2 3.49Å; F286-V288 HydrophobicContact CE2-CG2 4.34Å; F286-V288 HydrophobicContact CZ-CG2 3.53Å; V288-V290 HydrophobicContact CG1-CG2 3.88Å; V288-H312 PolarHBondContact N-O 3.17Å; V288-H312 PolarHBondContact O-N 3.34Å; V288-W314 HydrophobicContact CB-CZ3 4.17Å; V288-W314 HydrophobicContact CG2-CZ3 3.88Å
289	E	94.4	Very high	79.9	Confident	39 Å²	39	71.8 Å²	71.8	18%	0.182	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	124	169	-81.4	177.1	-172.8	0	0	110.1	L276 E277 N278 Y280 I309 V311	L276-E289 WeakPolarHBondContact CA-O 3.37Å; E277-E289 HydrophobicContact CB-CB 4.07Å; E277-E289 PolarHBondContact N-O 2.68Å; N278-E289 HydrophobicContact CB-CB 4.28Å; N278-E289 PolarHBondContact ND2-OE2 2.95Å; N278-E289 PolarHBondContact O-N 2.61Å; Y280-E289 HydrophobicContact CE2-CG 4.05Å; Y280-E289 PolarHBondContact OH-OE1 2.96Å; E289-I309 HydrophobicContact CB-CG2 3.75Å; E289-I309 HydrophobicContact CG-CG2 3.82Å; E289-V311 HydrophobicContact CG-CG2 4.01Å
290	V	92.5	Very high	77.4	Confident	8 Å²	8	78.4 Å²	78.4	5%	0.048	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.4	-179.1	-170.3	0	0	0	0	109.2	F271 Q275 L276 V288 D292 I309 A310	F271-V290 HydrophobicContact CB-CG2 4.18Å; F271-V290 HydrophobicContact CD1-CG1 4.22Å; F271-V290 HydrophobicContact CD1-CG2 3.81Å; F271-V290 HydrophobicContact CE1-CG2 4.4Å; F271-V290 HydrophobicContact CG-CG2 4.11Å; Q275-V290 HydrophobicContact CB-CG1 4.03Å; L276-V290 HydrophobicContact CD2-CG1 4.45Å; L276-V290 HydrophobicContact CD2-CG2 3.9Å; V288-V290 HydrophobicContact CG1-CG2 3.88Å; V290-D292 PolarHBondContact O-N 3.34Å; V290-I309 WeakPolarHBondContact O-CA 3.33Å; V290-A310 PolarHBondContact N-O 3.34Å; V290-A310 PolarHBondContact O-N 3.2Å
291	H	87.6	Confident	75.2	Confident	50 Å²	50	85.9 Å²	85.9	23%	0.231	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	111.2	168.7	-171.9	72.4	0	0	0	110	Q275 E277 P293	Q275-H291 WeakPolarHBondContact O-CB 3.16Å; Q275-H291 PolarHBondContact O-N 3.08Å; E277-H291 HydrophobicContact CG-CB 4.33Å; E277-H291 WeakPolarHBondContact OE1-CB 3.35Å; E277-H291 IonicContact OE1-CG 3Å; E277-H291 IonicContact OE1-ND1 3.84Å; H291-P293 VanDerWaalsContact O-CD 3.31Å; H291-P293 WeakPolarHBondContact O-CD 3.34Å
292	D	75.8	Confident	72.9	Confident	47 Å²	47	96.9 Å²	96.9	25%	0.251	47%	0.465	S	S	.	.			trans	-95.6	105.7	171.7	175.4	28.6	0	0	0	110.2	V290 R294 S295 G308	V290-D292 PolarHBondContact O-N 3.34Å; D292-R294 PolarHBondContact O-N 3.33Å; D292-R294 VanDerWaalsContact O-N 3.14Å; D292-R294 WeakPolarHBondContact OD1-CB 3.16Å; D292-R294 PolarHBondContact OD1-N 2.93Å; D292-R294 IonicContact OD1-NE 3.32Å; D292-S295 WeakPolarHBondContact O-CB 3.46Å; D292-S295 PolarHBondContact O-N 2.96Å; D292-S295 PolarHBondContact O-OG 3.05Å; D292-S295 PolarHBondContact OD2-N 3.3Å; D292-G308 PolarHBondContact N-O 2.88Å
293	P	64.9	Low	70.7	Confident	70 Å²	70	97 Å²	97	46%	0.455	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-64.9	-17.4	179.5	27.4	-35.1	0	0	0	113.7	H291	H291-P293 VanDerWaalsContact O-CD 3.31Å; H291-P293 WeakPolarHBondContact O-CD 3.34Å
294	R	62.1	Low	68.3	Low	207 Å²	207	102.1 Å²	102.1	78%	0.781	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-81.4	-22.9	179.5	-62.8	-179.4	-66.4	-177.8	-1.6	113.6	D292 R296	D292-R294 PolarHBondContact O-N 3.33Å; D292-R294 VanDerWaalsContact O-N 3.14Å; D292-R294 WeakPolarHBondContact OD1-CB 3.16Å; D292-R294 PolarHBondContact OD1-N 2.93Å; D292-R294 IonicContact OD1-NE 3.32Å; R294-R296 PolarHBondContact O-N 3.1Å
295	S	55.8	Low	66.1	Low	37 Å²	37	98.9 Å²	98.9	26%	0.259	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-62.4	-6.1	-179.8	66.7	0	0	0	0	115.8	D292 A297 G308	D292-S295 WeakPolarHBondContact O-CB 3.46Å; D292-S295 PolarHBondContact O-N 2.96Å; D292-S295 PolarHBondContact O-OG 3.05Å; D292-S295 PolarHBondContact OD2-N 3.3Å; S295-A297 PolarHBondContact O-N 3.43Å; S295-A297 VanDerWaalsContact O-N 3.07Å; S295-G308 WeakPolarHBondContact OG-CA 3.37Å
296	R	52.4	Low	64	Low	184 Å²	184	102.8 Å²	102.8	69%	0.694	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-61.3	-12.2	176.4	-78.5	-171.7	166.6	91.1	-1.3	114.8	R294	R294-R296 PolarHBondContact O-N 3.1Å
297	A	47.6	Very low	62.2	Low	101 Å²	101	107.5 Å²	107.5	84%	0.835	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-81.9	-11.3	-170.5	0	0	0	0	0	116.5	S295	S295-A297 PolarHBondContact O-N 3.43Å; S295-A297 VanDerWaalsContact O-N 3.07Å
298	S	49.1	Very low	61	Low	98 Å²	98	108.1 Å²	108.1	69%	0.685	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-130.1	28.4	-169.4	63.2	0	0	0	0	116.4	T300	S298-T300 PolarHBondContact O-N 3.47Å
299	V	47.6	Very low	60.4	Low	116 Å²	116	111.2 Å²	111.2	70%	0.703	58%	0.581	S	S	*	*			trans	-88.6	80.7	173.1	-173.6	0	0	0	0	110.8	R301	V299-R301 VanDerWaalsContact C-N 3.27Å; V299-R301 PolarHBondContact O-N 2.77Å
300	T	44.1	Very low	60.1	Low	139 Å²	139	111 Å²	111	85%	0.853	59%	0.586	S	S	*	*			trans	-72.2	80.2	173.6	-52.3	0	0	0	0	111.2	S298 R302	S298-T300 PolarHBondContact O-N 3.47Å; T300-R302 PolarHBondContact O-N 3.42Å; T300-R302 VanDerWaalsContact O-N 3.14Å
301	R	47.8	Very low	60.1	Low	230 Å²	230	114.7 Å²	114.7	87%	0.868	61%	0.608	S	S	*	*	S	Bend	trans	18.2	76.6	158.8	-161.8	-173.1	-152.6	-141.3	5.8	117.3	V299	V299-R301 VanDerWaalsContact C-N 3.27Å; V299-R301 PolarHBondContact O-N 2.77Å
302	R	45.9	Very low	60.4	Low	241 Å²	241	114.6 Å²	114.6	91%	0.909	61%	0.608	S	S	*	*	S	Bend	trans	-177.9	43.1	151.6	-103.8	165.3	-164.1	-170.4	7	117.2	T300	T300-R302 PolarHBondContact O-N 3.42Å; T300-R302 VanDerWaalsContact O-N 3.14Å
303	T	46.3	Very low	61.4	Low	136 Å²	136	113.9 Å²	113.9	83%	0.834	61%	0.605	S	S	*	*			trans	-156.6	152	162.7	20	0	0	0	0	111.9
304	F	39.9	Very low	63	Low	215 Å²	215	110.8 Å²	110.8	94%	0.943	58%	0.584	S	S	*	*			trans	-93.5	127.6	174.9	-93.5	-105	0	0	0	111.2
305	G	47.9	Very low	64.6	Low	63 Å²	63	104.5 Å²	104.5	65%	0.649	56%	0.561	S	S	*	*			trans	74.5	132.9	172.7	0	0	0	0	0	114.5
306	H	52.9	Low	66.5	Low	172 Å²	172	104 Å²	104	80%	0.796	56%	0.559	S	S	*	*			cis	-128.9	142.3	14.8	-66.5	64.3	0	0	0	110.6	G308	H306-G308 PolarHBondContact O-N 3.13Å; H306-G308 VanDerWaalsContact O-N 3.14Å
307	S	59.7	Low	68.4	Low	98 Å²	98	97.8 Å²	97.8	69%	0.685	54%	0.543	S	S	*	.	S	Bend	trans	-81.3	95.2	-173.2	57.4	0	0	0	0	112.9
308	G	70	Confident	70.5	Confident	19 Å²	19	95.7 Å²	95.7	20%	0.196	52%	0.521	C	S	.	.	S	Bend	trans	73.1	37.4	159.8	0	0	0	0	0	116.5	D292 S295 H306	D292-G308 PolarHBondContact N-O 2.88Å; S295-G308 WeakPolarHBondContact OG-CA 3.37Å; H306-G308 PolarHBondContact O-N 3.13Å; H306-G308 VanDerWaalsContact O-N 3.14Å
309	I	83.9	Confident	72.4	Confident	66 Å²	66	93.3 Å²	93.3	34%	0.338	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.2	171.8	-58.1	174.1	0	0	0	108.3	E277 E289 V290	E277-I309 HydrophobicContact CG-CD1 4.27Å; E277-I309 HydrophobicContact CG-CG1 4.41Å; E289-I309 HydrophobicContact CB-CG2 3.75Å; E289-I309 HydrophobicContact CG-CG2 3.82Å; V290-I309 WeakPolarHBondContact O-CA 3.33Å
310	A	89.3	Confident	74.4	Confident	35 Å²	35	88.1 Å²	88.1	29%	0.289	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.6	173.4	0	0	0	0	0	109.9	V290	V290-A310 PolarHBondContact N-O 3.34Å; V290-A310 PolarHBondContact O-N 3.2Å
311	V	91.9	Very high	76.8	Confident	85 Å²	85	81.5 Å²	81.5	52%	0.515	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.2	174.7	-173.9	0	0	0	0	109.2	E289	E289-V311 HydrophobicContact CG-CG2 4.01Å
312	H	94.1	Very high	78.8	Confident	47 Å²	47	73.5 Å²	73.5	22%	0.218	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	151.8	167	-61.6	-48.1	0	0	0	110.2	F271 S287 V288 W314	F271-H312 AromaticContact CD1-CD2 3.96Å; F271-H312 AromaticContact CE1-CD2 3.15Å; F271-H312 WeakPolarHBondContact CE1-CD2 3.33Å; F271-H312 AromaticContact CE1-NE2 3.4Å; F271-H312 WeakPolarHBondContact CE1-NE2 3.03Å; F271-H312 HydrophobicContact CZ-CB 4.4Å; F271-H312 AromaticContact CZ-CD2 3.32Å; F271-H312 WeakPolarHBondContact CZ-CD2 3.42Å; F271-H312 AromaticContact CZ-CG 3.87Å; F271-H312 AromaticContact CZ-NE2 3.86Å; S287-H312 VanDerWaalsContact CA-O 3.25Å; S287-H312 WeakPolarHBondContact CA-O 3.4Å; V288-H312 PolarHBondContact N-O 3.17Å; V288-H312 PolarHBondContact O-N 3.34Å; H312-W314 HydrophobicContact CB-CH2 3.38Å; H312-W314 HydrophobicContact CB-CZ2 3.87Å; H312-W314 HydrophobicContact CB-CZ3 3.85Å
313	T	96.4	Very high	81	Confident	33 Å²	33	63.1 Å²	63.1	20%	0.202	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	133.7	-169.9	-66.7	0	0	0	0	111.1	K285 F286 S287 Y315	K285-T313 HydrophobicContact CD-CG2 4.09Å; K285-T313 HydrophobicContact CG-CG2 3.69Å; F286-T313 VanDerWaalsContact O-CA 3.32Å; F286-T313 WeakPolarHBondContact O-CA 3.11Å; S287-T313 PolarHBondContact OG-OG1 2.96Å; T313-Y315 HydrophobicContact CG2-CE1 4.44Å; T313-Y315 HydrophobicContact CG2-CE2 3.73Å
314	W	97.8	Very high	83.3	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.015	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	162.2	178.9	-54.4	-91.7	0	0	0	110.8	V239 K240 L249 Q258 F271 K285 F286 V288 H312	V239-W314 HydrophobicContact CB-CB 4.01Å; V239-W314 HydrophobicContact CG2-CB 3.82Å; V239-W314 HydrophobicContact CG2-CG 3.91Å; K240-W314 CarbonylContact O-C 3.56Å; K240-W314 VanDerWaalsContact O-CA 3.25Å; K240-W314 WeakPolarHBondContact O-CA 3.48Å; L249-W314 HydrophobicContact CD1-CD2 4Å; L249-W314 HydrophobicContact CD1-CE3 4.19Å; L249-W314 HydrophobicContact CD1-CH2 4.12Å; L249-W314 HydrophobicContact CD1-CZ2 3.94Å; L249-W314 HydrophobicContact CD1-CZ3 4.25Å; Q258-W314 HydrophobicContact CB-CZ2 4.44Å; F271-W314 HydrophobicContact CD2-CH2 4.32Å; F271-W314 AromaticContact CE2-CH2 3.61Å; F271-W314 HydrophobicContact CE2-CH2 3.61Å; F271-W314 AromaticContact CE2-CZ2 3.77Å; F271-W314 HydrophobicContact CE2-CZ2 3.77Å; F271-W314 HydrophobicContact CZ-CH2 4.23Å; F271-W314 HydrophobicContact CZ-CZ2 4.25Å; K285-W314 WeakPolarHBondContact CA-O 3.49Å; F286-W314 AromaticContact CD1-CE3 3.94Å; F286-W314 HydrophobicContact CD1-CE3 3.94Å; F286-W314 HydrophobicContact CD1-CZ3 4.35Å; F286-W314 HydrophobicContact CE1-CE3 4.4Å; F286-W314 HydrophobicContact CE1-CZ3 4.38Å; F286-W314 PolarHBondContact N-O 3.36Å; F286-W314 PolarHBondContact O-N 3.28Å; V288-W314 HydrophobicContact CB-CZ3 4.17Å; V288-W314 HydrophobicContact CG2-CZ3 3.88Å; H312-W314 HydrophobicContact CB-CH2 3.38Å; H312-W314 HydrophobicContact CB-CZ2 3.87Å; H312-W314 HydrophobicContact CB-CZ3 3.85Å
315	Y	97.4	Very high	85.9	Confident	76 Å²	76	47.3 Å²	47.3	30%	0.298	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141	-172.2	-58	-91.6	0	0	0	111.8	K240 K242 K284 K285 T313	K240-Y315 PolarHBondContact N-O 2.94Å; K240-Y315 PolarHBondContact O-N 2.8Å; K242-Y315 HydrophobicContact CB-CE2 4.05Å; K284-Y315 WeakPolarHBondContact O-CA 3.32Å; K285-Y315 HydrophobicContact CB-CD1 3.94Å; K285-Y315 HydrophobicContact CB-CE1 3.8Å; K285-Y315 HydrophobicContact CD-CE1 4.15Å; K285-Y315 HydrophobicContact CG-CD1 4.27Å; K285-Y315 HydrophobicContact CG-CE1 3.78Å; T313-Y315 HydrophobicContact CG2-CE1 4.44Å; T313-Y315 HydrophobicContact CG2-CE2 3.73Å
316	A	95.3	Very high	88	Confident	25 Å²	25	45.1 Å²	45.1	21%	0.207	27%	0.265	C	S	.	.			trans	-157	-166.1	174.8	0	0	0	0	0	110.6	V239 K284 L320 I321	V239-A316 HydrophobicContact CG1-CB 4.49Å; K284-A316 WeakPolarHBondContact CB-O 3.45Å; K284-A316 PolarHBondContact O-N 3.12Å; K284-A316 VanDerWaalsContact O-N 3.08Å; A316-L320 HydrophobicContact CB-CB 4.28Å; A316-L320 HydrophobicContact CB-CD2 4.06Å; A316-L320 HydrophobicContact CB-CG 4.48Å; A316-I321 HydrophobicContact CB-CD1 3.95Å; A316-I321 HydrophobicContact CB-CG1 4.01Å
317	C	92.3	Very high	89.9	Confident	55 Å²	55	37.1 Å²	37.1	37%	0.372	23%	0.228	S	C	.	.			trans	-70.3	153.1	169.7	69.8	0	0	0	0	110.7	A319 L320 I321	C317-A319 VanDerWaalsContact C-N 3.3Å; C317-A319 PolarHBondContact O-N 3.25Å; C317-L320 PolarHBondContact O-N 3.35Å; C317-L320 VanDerWaalsContact SG-CB 3.51Å; C317-I321 WeakPolarHBondContact O-CG1 3.48Å; C317-I321 PolarHBondContact O-N 3.4Å
318	P	90.9	Very high	91.6	Very high	57 Å²	57	32.4 Å²	32.4	37%	0.37	20%	0.196	S	C	.	.	H	α-helix	trans	-60.1	-35.9	-174.3	-25.8	35.7	0	0	0	114.3	E283 K284 I321 K322	E283-P318 WeakPolarHBondContact O-CA 3.25Å; E283-P318 WeakPolarHBondContact O-CB 3.35Å; K284-P318 HydrophobicContact CG-CG 3.85Å; P318-I321 PolarHBondContact O-N 3.27Å; P318-K322 WeakPolarHBondContact O-CG 3.5Å; P318-K322 PolarHBondContact O-N 3.43Å
319	A	88.3	Confident	92.7	Very high	48 Å²	48	32.8 Å²	32.8	40%	0.397	19%	0.193	S	C	.	.	H	α-helix	trans	-61.4	-48.4	175.8	0	0	0	0	0	111.8	C317 I321 K322 S323	C317-A319 VanDerWaalsContact C-N 3.3Å; C317-A319 PolarHBondContact O-N 3.25Å; A319-I321 VanDerWaalsContact C-N 3.32Å; A319-I321 PolarHBondContact O-N 3.22Å; A319-K322 WeakPolarHBondContact O-CB 3.49Å; A319-K322 PolarHBondContact O-N 2.86Å; A319-S323 PolarHBondContact O-N 3.14Å; A319-S323 PolarHBondContact O-OG 2.97Å
320	L	91.5	Very high	93.2	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.037	18%	0.184	C	C	.	.	H	α-helix	trans	-65.3	-36.5	178.5	-166.5	61	0	0	0	111.9	H87 Y237 A238 A316 C317 S323 I324	H87-L320 HydrophobicContact CB-CD1 4.1Å; Y237-L320 HydrophobicContact CD1-CD1 3.79Å; Y237-L320 HydrophobicContact CE1-CD1 4.47Å; A238-L320 WeakPolarHBondContact O-CD2 3.38Å; A316-L320 HydrophobicContact CB-CB 4.28Å; A316-L320 HydrophobicContact CB-CD2 4.06Å; A316-L320 HydrophobicContact CB-CG 4.48Å; C317-L320 PolarHBondContact O-N 3.35Å; C317-L320 VanDerWaalsContact SG-CB 3.51Å; L320-S323 PolarHBondContact O-N 3.25Å; L320-I324 HydrophobicContact CG-CD1 4.17Å; L320-I324 WeakPolarHBondContact O-CB 3.45Å; L320-I324 WeakPolarHBondContact O-CD1 3.45Å; L320-I324 VanDerWaalsContact O-CG1 3.25Å; L320-I324 WeakPolarHBondContact O-CG1 3.33Å; L320-I324 PolarHBondContact O-N 3.48Å
321	I	93.7	Very high	93.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-41.6	173.8	-66.5	-68.9	0	0	0	111.5	F281 F286 A316 C317 P318 A319 I324 W325	F281-I321 HydrophobicContact CB-CG2 3.91Å; F281-I321 HydrophobicContact CD2-CG2 4.04Å; F281-I321 HydrophobicContact CG-CG2 4.42Å; F286-I321 HydrophobicContact CB-CD1 3.81Å; F286-I321 HydrophobicContact CB-CG2 4.36Å; A316-I321 HydrophobicContact CB-CD1 3.95Å; A316-I321 HydrophobicContact CB-CG1 4.01Å; C317-I321 WeakPolarHBondContact O-CG1 3.48Å; C317-I321 PolarHBondContact O-N 3.4Å; P318-I321 PolarHBondContact O-N 3.27Å; A319-I321 VanDerWaalsContact C-N 3.32Å; A319-I321 PolarHBondContact O-N 3.22Å; I321-I324 HydrophobicContact CD1-CD1 4.45Å; I321-W325 VanDerWaalsContact O-CB 3.23Å; I321-W325 WeakPolarHBondContact O-CB 3.49Å; I321-W325 PolarHBondContact O-N 2.91Å
322	K	90.3	Very high	93.6	Very high	61 Å²	61	25.1 Å²	25.1	27%	0.265	15%	0.146	S	C	.	.	H	α-helix	trans	-62.2	-39.3	171.6	-73.7	-174.8	-178.1	-166.6	0	112.4	F281 P318 A319 W325 A326 D886	F281-K322 HydrophobicContact CE2-CG 4.07Å; P318-K322 WeakPolarHBondContact O-CG 3.5Å; P318-K322 PolarHBondContact O-N 3.43Å; A319-K322 WeakPolarHBondContact O-CB 3.49Å; A319-K322 PolarHBondContact O-N 2.86Å; K322-W325 WeakPolarHBondContact O-CB 3.17Å; K322-W325 PolarHBondContact O-N 2.82Å; K322-A326 VanDerWaalsContact O-CB 3.29Å; K322-A326 WeakPolarHBondContact O-CB 3.37Å; K322-A326 PolarHBondContact O-N 3.12Å; K322-D886 WeakPolarHBondContact CE-O 3.41Å; K322-D886 PolarHBondContact NZ-O 3.01Å; K322-D886 IonicContact NZ-OD1 2.77Å; K322-D886 PolarHBondContact NZ-OD1 3.48Å
323	S	91.1	Very high	93.5	Very high	23 Å²	23	24.4 Å²	24.4	16%	0.161	14%	0.143	C	C	.	.	H	α-helix	trans	-70.4	-41.9	178.2	-69.1	0	0	0	0	112.6	S89 A319 L320 M327	S89-S323 PolarHBondContact OG-OG 3.43Å; A319-S323 PolarHBondContact O-N 3.14Å; A319-S323 PolarHBondContact O-OG 2.97Å; L320-S323 PolarHBondContact O-N 3.25Å; S323-M327 WeakPolarHBondContact O-CB 3.42Å; S323-M327 PolarHBondContact O-N 3.04Å
324	I	94.6	Very high	93.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.7	-48.7	170.3	-70.5	162.2	0	0	0	110.1	Y237 V239 L249 L251 F286 L320 I321 M327 A328	Y237-I324 HydrophobicContact CD1-CD1 4.39Å; Y237-I324 HydrophobicContact CD1-CG1 3.57Å; Y237-I324 HydrophobicContact CD2-CG1 4.05Å; Y237-I324 HydrophobicContact CE1-CG1 4.18Å; Y237-I324 HydrophobicContact CG-CD1 4.18Å; Y237-I324 HydrophobicContact CG-CG1 3.5Å; V239-I324 HydrophobicContact CG1-CD1 3.63Å; L249-I324 HydrophobicContact CD2-CD1 4.44Å; L249-I324 HydrophobicContact CD2-CG2 3.73Å; L251-I324 HydrophobicContact CD1-CG2 4.41Å; F286-I324 HydrophobicContact CD1-CG2 3.73Å; F286-I324 HydrophobicContact CD2-CG2 4.23Å; F286-I324 HydrophobicContact CE1-CG2 3.79Å; F286-I324 HydrophobicContact CE2-CG2 4.28Å; F286-I324 HydrophobicContact CG-CG2 3.96Å; F286-I324 HydrophobicContact CZ-CG2 4.07Å; L320-I324 HydrophobicContact CG-CD1 4.17Å; L320-I324 WeakPolarHBondContact O-CB 3.45Å; L320-I324 WeakPolarHBondContact O-CD1 3.45Å; L320-I324 VanDerWaalsContact O-CG1 3.25Å; L320-I324 WeakPolarHBondContact O-CG1 3.33Å; L320-I324 PolarHBondContact O-N 3.48Å; I321-I324 HydrophobicContact CD1-CD1 4.45Å; I324-M327 PolarHBondContact O-N 3.2Å; I324-A328 VanDerWaalsContact O-CB 3.32Å; I324-A328 WeakPolarHBondContact O-CB 3.47Å; I324-A328 PolarHBondContact O-N 3.19Å
325	W	93.9	Very high	92.9	Very high	19 Å²	19	26.4 Å²	26.4	7%	0.072	15%	0.148	C	C	.	.	H	α-helix	trans	-56.2	-56.7	177.5	173.1	-106.8	0	0	0	112.2	L279 Y280 F281 F286 I321 K322 M327 A328 I329 G889 Y891	L279-W325 VanDerWaalsContact C-CZ3 3.45Å; L279-W325 HydrophobicContact CB-CE3 4.33Å; L279-W325 HydrophobicContact CB-CH2 4.09Å; L279-W325 HydrophobicContact CB-CZ3 3.48Å; L279-W325 VanDerWaalsContact CB-CZ3 3.48Å; L279-W325 WeakPolarHBondContact O-CH2 3.5Å; Y280-W325 VanDerWaalsContact C-CZ3 3.47Å; F281-W325 HydrophobicContact CB-CB 4.26Å; F281-W325 HydrophobicContact CB-CD2 4.12Å; F281-W325 HydrophobicContact CB-CE3 3.87Å; F281-W325 HydrophobicContact CB-CG 4.3Å; F281-W325 HydrophobicContact CB-CZ3 4.47Å; F281-W325 HydrophobicContact CD1-CB 4.18Å; F281-W325 AromaticContact CD1-CD1 3.67Å; F281-W325 AromaticContact CD1-CD2 3.37Å; F281-W325 HydrophobicContact CD1-CD2 3.37Å; F281-W325 AromaticContact CD1-CE2 3.49Å; F281-W325 VanDerWaalsContact CD1-CE2 3.49Å; F281-W325 AromaticContact CD1-CE3 3.87Å; F281-W325 HydrophobicContact CD1-CE3 3.87Å; F281-W325 AromaticContact CD1-CG 3.49Å; F281-W325 HydrophobicContact CD1-CG 3.49Å; F281-W325 VanDerWaalsContact CD1-CG 3.49Å; F281-W325 HydrophobicContact CD1-CH2 4.45Å; F281-W325 HydrophobicContact CD1-CZ2 4.06Å; F281-W325 HydrophobicContact CD1-CZ3 4.38Å; F281-W325 AromaticContact CD1-NE1 3.67Å; F281-W325 AromaticContact CE1-CD1 3.71Å; F281-W325 HydrophobicContact CE1-CD2 4.13Å; F281-W325 AromaticContact CE1-CE2 3.9Å; F281-W325 HydrophobicContact CE1-CG 4.02Å; F281-W325 AromaticContact CE1-NE1 3.63Å; F281-W325 HydrophobicContact CG-CB 4.23Å; F281-W325 HydrophobicContact CG-CD2 4.08Å; F281-W325 HydrophobicContact CG-CE3 4.31Å; F281-W325 HydrophobicContact CG-CG 4.02Å; F286-W325 HydrophobicContact CD2-CE3 4.21Å; F286-W325 AromaticContact CE2-CE3 3.94Å; F286-W325 HydrophobicContact CE2-CE3 3.94Å; F286-W325 HydrophobicContact CE2-CZ3 4.45Å; I321-W325 VanDerWaalsContact O-CB 3.23Å; I321-W325 WeakPolarHBondContact O-CB 3.49Å; I321-W325 PolarHBondContact O-N 2.91Å; K322-W325 WeakPolarHBondContact O-CB 3.17Å; K322-W325 PolarHBondContact O-N 2.82Å; W325-M327 VanDerWaalsContact C-N 3.28Å; W325-M327 PolarHBondContact O-N 3.12Å; W325-A328 PolarHBondContact O-N 2.9Å; W325-A328 VanDerWaalsContact O-N 3.16Å; W325-I329 HydrophobicContact CD2-CG2 4.19Å; W325-I329 HydrophobicContact CE3-CG2 4.46Å; W325-I329 HydrophobicContact CH2-CG2 4.35Å; W325-I329 HydrophobicContact CZ2-CG2 4.05Å; W325-I329 PolarHBondContact O-N 3.01Å; W325-G889 WeakPolarHBondContact CH2-O 3.31Å; W325-Y891 VanDerWaalsContact CH2-CB 3.43Å
326	A	91.9	Very high	92.6	Very high	17 Å²	17	23.8 Å²	23.8	14%	0.14	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-37.6	-177.5	0	0	0	0	0	111.7	K322 I329 S330	K322-A326 VanDerWaalsContact O-CB 3.29Å; K322-A326 WeakPolarHBondContact O-CB 3.37Å; K322-A326 PolarHBondContact O-N 3.12Å; A326-I329 WeakPolarHBondContact O-CG1 3.22Å; A326-S330 VanDerWaalsContact O-CB 3.3Å; A326-S330 WeakPolarHBondContact O-CB 3.25Å; A326-S330 PolarHBondContact O-N 3.34Å; A326-S330 PolarHBondContact O-OG 3.1Å
327	M	93.4	Very high	92.2	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.02	15%	0.145	C	C	.	.	H	α-helix	trans	-67.8	-46.7	173.6	-177.7	57.2	74.7	0	0	111.7	W90 R116 L251 S323 I324 W325 I329 S330 Q331	W90-M327 VanDerWaalsContact CD1-CE 3.42Å; W90-M327 HydrophobicContact CD2-CE 4.22Å; W90-M327 HydrophobicContact CG-CE 4.02Å; W90-M327 HydrophobicContact CZ2-CE 4.49Å; R116-M327 HydrophobicContact CG-CE 4.3Å; L251-M327 HydrophobicContact CB-CG 4.18Å; L251-M327 HydrophobicContact CD1-CB 3.7Å; L251-M327 HydrophobicContact CD1-CG 3.58Å; S323-M327 WeakPolarHBondContact O-CB 3.42Å; S323-M327 PolarHBondContact O-N 3.04Å; I324-M327 PolarHBondContact O-N 3.2Å; W325-M327 VanDerWaalsContact C-N 3.28Å; W325-M327 PolarHBondContact O-N 3.12Å; M327-I329 PolarHBondContact O-N 2.77Å; M327-S330 WeakPolarHBondContact O-CB 3.4Å; M327-S330 PolarHBondContact O-N 3.08Å; M327-S330 VanDerWaalsContact O-N 3.12Å; M327-Q331 HydrophobicContact CG-CG 4.13Å; M327-Q331 WeakPolarHBondContact O-CG 3.32Å; M327-Q331 PolarHBondContact O-N 2.86Å; M327-Q331 HydrophobicContact SD-CG 3.75Å
328	A	95.9	Very high	91.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.6	-44.5	-177.5	0	0	0	0	0	112.7	L251 I256 W273 L279 F286 I324 W325 S330 Q331 H332	L251-A328 HydrophobicContact CD1-CB 4.11Å; L251-A328 HydrophobicContact CD2-CB 4.23Å; I256-A328 HydrophobicContact CD1-CB 4.42Å; W273-A328 HydrophobicContact CH2-CB 4.42Å; W273-A328 WeakPolarHBondContact CH2-O 3.42Å; L279-A328 HydrophobicContact CD1-CB 3.98Å; F286-A328 HydrophobicContact CZ-CB 4.19Å; I324-A328 VanDerWaalsContact O-CB 3.32Å; I324-A328 WeakPolarHBondContact O-CB 3.47Å; I324-A328 PolarHBondContact O-N 3.19Å; W325-A328 PolarHBondContact O-N 2.9Å; W325-A328 VanDerWaalsContact O-N 3.16Å; A328-S330 VanDerWaalsContact C-N 3.29Å; A328-S330 PolarHBondContact O-N 3.42Å; A328-Q331 PolarHBondContact O-N 2.81Å; A328-H332 PolarHBondContact O-N 2.72Å
329	I	93.9	Very high	91.4	Very high	26 Å²	26	28.5 Å²	28.5	13%	0.133	14%	0.144	C	C	.	.	H	α-helix	trans	-67.1	-30.9	174.9	69.8	177.7	0	0	0	112	L279 W325 A326 M327 Q333 Y891	L279-I329 HydrophobicContact CD1-CG2 4.19Å; W325-I329 HydrophobicContact CD2-CG2 4.19Å; W325-I329 HydrophobicContact CE3-CG2 4.46Å; W325-I329 HydrophobicContact CH2-CG2 4.35Å; W325-I329 HydrophobicContact CZ2-CG2 4.05Å; W325-I329 PolarHBondContact O-N 3.01Å; A326-I329 WeakPolarHBondContact O-CG1 3.22Å; M327-I329 PolarHBondContact O-N 2.77Å; I329-Q333 WeakPolarHBondContact O-CB 3.32Å; I329-Q333 PolarHBondContact O-N 2.88Å; I329-Y891 HydrophobicContact CB-CD1 4.27Å; I329-Y891 HydrophobicContact CB-CD2 4.21Å; I329-Y891 HydrophobicContact CB-CE1 4.17Å; I329-Y891 HydrophobicContact CB-CE2 4.11Å; I329-Y891 HydrophobicContact CB-CG 4.25Å; I329-Y891 HydrophobicContact CG2-CD1 3.66Å; I329-Y891 HydrophobicContact CG2-CD2 3.91Å; I329-Y891 HydrophobicContact CG2-CE1 4.06Å; I329-Y891 HydrophobicContact CG2-CE2 4.29Å; I329-Y891 HydrophobicContact CG2-CG 3.54Å; I329-Y891 PolarHBondContact O-OH 3.31Å
330	S	93.3	Very high	90.8	Very high	21 Å²	21	30.6 Å²	30.6	15%	0.147	15%	0.145	C	C	.	.	H	α-helix	trans	-69	-47.4	175.5	-62.3	0	0	0	0	111.4	R116 F117 A326 M327 A328 H332 Q333 F334	R116-S330 PolarHBondContact NH2-OG 3.06Å; F117-S330 WeakPolarHBondContact CE1-O 3.29Å; A326-S330 VanDerWaalsContact O-CB 3.3Å; A326-S330 WeakPolarHBondContact O-CB 3.25Å; A326-S330 PolarHBondContact O-N 3.34Å; A326-S330 PolarHBondContact O-OG 3.1Å; M327-S330 WeakPolarHBondContact O-CB 3.4Å; M327-S330 PolarHBondContact O-N 3.08Å; M327-S330 VanDerWaalsContact O-N 3.12Å; A328-S330 VanDerWaalsContact C-N 3.29Å; A328-S330 PolarHBondContact O-N 3.42Å; S330-H332 VanDerWaalsContact C-N 3.34Å; S330-H332 PolarHBondContact O-N 2.8Å; S330-Q333 WeakPolarHBondContact O-CB 3.02Å; S330-Q333 PolarHBondContact O-N 2.92Å; S330-F334 PolarHBondContact O-N 3.44Å
331	Q	94.4	Very high	89.6	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-39	-180	-69.3	-74.4	11.6	0	0	111.3	W273 M327 A328 F334 Y335	W273-Q331 HydrophobicContact CH2-CB 3.99Å; W273-Q331 HydrophobicContact CZ2-CB 3.44Å; W273-Q331 VanDerWaalsContact CZ2-CB 3.44Å; W273-Q331 HydrophobicContact CZ2-CG 4.47Å; M327-Q331 HydrophobicContact CG-CG 4.13Å; M327-Q331 WeakPolarHBondContact O-CG 3.32Å; M327-Q331 PolarHBondContact O-N 2.86Å; M327-Q331 HydrophobicContact SD-CG 3.75Å; A328-Q331 PolarHBondContact O-N 2.81Å; Q331-F334 PolarHBondContact O-N 3.5Å; Q331-Y335 WeakPolarHBondContact O-CB 3.4Å; Q331-Y335 PolarHBondContact O-N 3.27Å
332	H	94.5	Very high	87.9	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.019	19%	0.19	C	C	.	.	H	α-helix	trans	-67	-39.8	173.1	-170.4	57.4	0	0	0	112.7	W273 A328 S330 Y335 L336 Y891 V893	W273-H332 HydrophobicContact CD2-CB 4.27Å; W273-H332 AromaticContact CD2-ND1 3.97Å; W273-H332 HydrophobicContact CE3-CB 3.69Å; W273-H332 AromaticContact CE3-CG 3.98Å; W273-H332 AromaticContact CE3-ND1 3.68Å; W273-H332 HydrophobicContact CZ3-CB 3.85Å; A328-H332 PolarHBondContact O-N 2.72Å; S330-H332 VanDerWaalsContact C-N 3.34Å; S330-H332 PolarHBondContact O-N 2.8Å; H332-Y335 AromaticContact CE1-CD1 3.82Å; H332-Y335 AromaticContact ND1-CD1 3.73Å; H332-Y335 WeakPolarHBondContact O-CB 3.25Å; H332-Y335 PolarHBondContact O-N 3.36Å; H332-L336 WeakPolarHBondContact O-CG 3.36Å; H332-L336 PolarHBondContact O-N 3.13Å; H332-Y891 HydrophobicContact CB-CE1 4.12Å; H332-Y891 AromaticContact CD2-CE1 3.71Å; H332-Y891 AromaticContact CD2-CZ 3.98Å; H332-Y891 PolarHBondContact CD2-OH 2.83Å; H332-V893 WeakPolarHBondContact CE1-CG1 3.47Å; H332-V893 WeakPolarHBondContact NE2-CG1 3.46Å; H332-V893 PolarHBondContact NE2-O 3.28Å
333	Q	91.9	Very high	86.1	Confident	32 Å²	32	42.3 Å²	42.3	15%	0.15	22%	0.216	C	C	.	.	H	α-helix	trans	-58.3	-50.7	173.7	-174.5	68.8	64.3	0	0	110.9	I329 S330 Y335 L336 D337	I329-Q333 WeakPolarHBondContact O-CB 3.32Å; I329-Q333 PolarHBondContact O-N 2.88Å; S330-Q333 WeakPolarHBondContact O-CB 3.02Å; S330-Q333 PolarHBondContact O-N 2.92Å; Q333-Y335 VanDerWaalsContact C-N 3.31Å; Q333-Y335 PolarHBondContact O-N 2.88Å; Q333-L336 CarbonylContact O-C 3.44Å; Q333-L336 WeakPolarHBondContact O-CA 3.48Å; Q333-L336 WeakPolarHBondContact O-CB 3.48Å; Q333-L336 PolarHBondContact O-N 3.07Å; Q333-D337 PolarHBondContact NE2-OD1 3.25Å; Q333-D337 PolarHBondContact O-N 2.77Å
334	F	91.6	Very high	84.5	Confident	18 Å²	18	48.9 Å²	48.9	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-58.9	-39.4	176.4	175.6	-103.7	0	0	0	112.8	Y76 F117 I119 S330 Q331 D337 R338	Y76-F334 AromaticContact CD1-CE2 3.76Å; Y76-F334 HydrophobicContact CD1-CE2 3.76Å; Y76-F334 AromaticContact CD1-CZ 3.77Å; Y76-F334 HydrophobicContact CD1-CZ 3.77Å; Y76-F334 AromaticContact CE1-CE2 3.75Å; Y76-F334 HydrophobicContact CE1-CE2 3.75Å; Y76-F334 AromaticContact CE1-CZ 3.69Å; Y76-F334 HydrophobicContact CE1-CZ 3.69Å; F117-F334 HydrophobicContact CB-CD1 3.98Å; F117-F334 HydrophobicContact CB-CD2 3.79Å; F117-F334 HydrophobicContact CB-CE1 3.78Å; F117-F334 HydrophobicContact CB-CE2 3.59Å; F117-F334 HydrophobicContact CB-CG 3.97Å; F117-F334 HydrophobicContact CB-CZ 3.57Å; F117-F334 HydrophobicContact CD1-CB 3.63Å; F117-F334 HydrophobicContact CD1-CD1 4.02Å; F117-F334 HydrophobicContact CD1-CD2 4.05Å; F117-F334 AromaticContact CD1-CG 3.66Å; F117-F334 HydrophobicContact CD1-CG 3.66Å; F117-F334 HydrophobicContact CE1-CB 3.84Å; F117-F334 HydrophobicContact CE1-CG 4.35Å; F117-F334 HydrophobicContact CG-CB 4.35Å; F117-F334 HydrophobicContact CG-CD1 4.36Å; F117-F334 AromaticContact CG-CD2 3.9Å; F117-F334 HydrophobicContact CG-CD2 3.9Å; F117-F334 HydrophobicContact CG-CE2 4.2Å; F117-F334 AromaticContact CG-CG 3.98Å; F117-F334 HydrophobicContact CG-CG 3.98Å; I119-F334 HydrophobicContact CG2-CZ 4.01Å; S330-F334 PolarHBondContact O-N 3.44Å; Q331-F334 PolarHBondContact O-N 3.5Å; F334-D337 PolarHBondContact O-N 2.71Å; F334-R338 HydrophobicContact CE2-CG 4.48Å; F334-R338 HydrophobicContact CZ-CG 4.44Å; F334-R338 WeakPolarHBondContact O-CG 3.29Å; F334-R338 PolarHBondContact O-N 2.99Å
335	Y	91.7	Very high	82.8	Confident	62 Å²	62	52.5 Å²	52.5	24%	0.243	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-42.9	171.8	168.2	-96.3	0	0	0	112.5	W273 Q331 H332 Q333 K339	W273-Y335 HydrophobicContact CB-CD1 3.67Å; W273-Y335 HydrophobicContact CB-CD2 4.24Å; W273-Y335 HydrophobicContact CB-CE1 3.83Å; W273-Y335 HydrophobicContact CB-CE2 4.38Å; W273-Y335 HydrophobicContact CB-CG 3.9Å; W273-Y335 AromaticContact CD1-CD2 3.97Å; W273-Y335 AromaticContact CD1-CG 3.87Å; W273-Y335 HydrophobicContact CG-CD1 4.21Å; W273-Y335 HydrophobicContact CG-CD2 4.4Å; W273-Y335 HydrophobicContact CG-CG 4.03Å; Q331-Y335 WeakPolarHBondContact O-CB 3.4Å; Q331-Y335 PolarHBondContact O-N 3.27Å; H332-Y335 AromaticContact CE1-CD1 3.82Å; H332-Y335 AromaticContact ND1-CD1 3.73Å; H332-Y335 WeakPolarHBondContact O-CB 3.25Å; H332-Y335 PolarHBondContact O-N 3.36Å; Q333-Y335 VanDerWaalsContact C-N 3.31Å; Q333-Y335 PolarHBondContact O-N 2.88Å; Y335-K339 HydrophobicContact CE1-CD 4.19Å; Y335-K339 VanDerWaalsContact O-CB 3.24Å; Y335-K339 WeakPolarHBondContact O-CB 3.47Å; Y335-K339 PolarHBondContact O-N 3.25Å
336	L	90.7	Very high	81.4	Confident	20 Å²	20	57.3 Å²	57.3	11%	0.105	28%	0.283	C	S	.	.	H	α-helix	trans	-64.9	-43.8	174.7	-70.4	179.2	0	0	0	111.6	H332 Q333 K339 Q340 V879	H332-L336 WeakPolarHBondContact O-CG 3.36Å; H332-L336 PolarHBondContact O-N 3.13Å; Q333-L336 CarbonylContact O-C 3.44Å; Q333-L336 WeakPolarHBondContact O-CA 3.48Å; Q333-L336 WeakPolarHBondContact O-CB 3.48Å; Q333-L336 PolarHBondContact O-N 3.07Å; L336-K339 CarbonylContact O-C 3.6Å; L336-K339 WeakPolarHBondContact O-CA 3.39Å; L336-K339 WeakPolarHBondContact O-CB 3.47Å; L336-K339 PolarHBondContact O-N 2.95Å; L336-Q340 WeakPolarHBondContact O-CG 3.31Å; L336-Q340 PolarHBondContact O-N 3.07Å; L336-V879 HydrophobicContact CD1-CG2 3.82Å
337	D	86.8	Confident	80.7	Confident	61 Å²	61	61 Å²	61	33%	0.326	32%	0.315	S	S	.	.	H	α-helix	trans	-64.2	-43.9	-178.1	-60.3	-19.2	0	0	0	110.6	Q333 F334 K339 Q340 S341	Q333-D337 PolarHBondContact NE2-OD1 3.25Å; Q333-D337 PolarHBondContact O-N 2.77Å; F334-D337 PolarHBondContact O-N 2.71Å; D337-K339 VanDerWaalsContact C-N 3.33Å; D337-K339 PolarHBondContact O-N 2.8Å; D337-Q340 PolarHBondContact O-N 2.78Å; D337-S341 VanDerWaalsContact O-CB 3.27Å; D337-S341 WeakPolarHBondContact O-CB 3.29Å; D337-S341 PolarHBondContact O-N 3.43Å; D337-S341 PolarHBondContact O-OG 2.95Å
338	R	83.1	Confident	80.3	Confident	63 Å²	63	63.4 Å²	63.4	24%	0.238	33%	0.334	C	S	.	.	H	α-helix	trans	-63.5	-33.1	169.8	-70.1	-174.5	78.9	85.5	-7.4	112.9	Y76 F334 S341	Y76-R338 PolarHBondContact OH-NH1 3.04Å; F334-R338 HydrophobicContact CE2-CG 4.48Å; F334-R338 HydrophobicContact CZ-CG 4.44Å; F334-R338 WeakPolarHBondContact O-CG 3.29Å; F334-R338 PolarHBondContact O-N 2.99Å; R338-S341 WeakPolarHBondContact CA-OG 3.16Å; R338-S341 PolarHBondContact O-OG 3.49Å
339	K	82.3	Confident	80.1	Confident	113 Å²	113	65.4 Å²	65.4	49%	0.491	34%	0.342	S	S	.	.	H	α-helix	trans	-74.9	-34.8	178.2	-176	-179.4	175.8	-174.7	0	113	Y335 L336 D337 K342	Y335-K339 HydrophobicContact CE1-CD 4.19Å; Y335-K339 VanDerWaalsContact O-CB 3.24Å; Y335-K339 WeakPolarHBondContact O-CB 3.47Å; Y335-K339 PolarHBondContact O-N 3.25Å; L336-K339 CarbonylContact O-C 3.6Å; L336-K339 WeakPolarHBondContact O-CA 3.39Å; L336-K339 WeakPolarHBondContact O-CB 3.47Å; L336-K339 PolarHBondContact O-N 2.95Å; D337-K339 VanDerWaalsContact C-N 3.33Å; D337-K339 PolarHBondContact O-N 2.8Å; K339-K342 WeakPolarHBondContact O-CG 3.24Å
340	Q	75.8	Confident	80.2	Confident	92 Å²	92	66.8 Å²	66.8	43%	0.43	35%	0.354	S	S	.	.	H	α-helix	trans	-80.5	-37.2	178.9	-69.1	-176.6	27.8	0	0	111.7	L336 D337 K342	L336-Q340 WeakPolarHBondContact O-CG 3.31Å; L336-Q340 PolarHBondContact O-N 3.07Å; D337-Q340 PolarHBondContact O-N 2.78Å; Q340-K342 PolarHBondContact O-N 2.76Å
341	S	66.6	Low	80.4	Confident	44 Å²	44	68.8 Å²	68.8	31%	0.308	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-69.7	11.4	174.8	57.6	0	0	0	0	114.6	D337 R338 S343 K344 I345	D337-S341 VanDerWaalsContact O-CB 3.27Å; D337-S341 WeakPolarHBondContact O-CB 3.29Å; D337-S341 PolarHBondContact O-N 3.43Å; D337-S341 PolarHBondContact O-OG 2.95Å; R338-S341 WeakPolarHBondContact CA-OG 3.16Å; R338-S341 PolarHBondContact O-OG 3.49Å; S341-S343 PolarHBondContact O-N 3.42Å; S341-K344 CarbonylContact O-C 3.56Å; S341-K344 VanDerWaalsContact O-C 3.24Å; S341-K344 VanDerWaalsContact O-CA 3.27Å; S341-K344 WeakPolarHBondContact O-CA 3.48Å; S341-K344 PolarHBondContact O-N 3.1Å; S341-I345 PolarHBondContact O-N 2.77Å
342	K	57.7	Low	80.4	Confident	152 Å²	152	72.2 Å²	72.2	66%	0.661	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-56	-23.3	-178.5	-86.2	-172.5	172	-148.7	0	116.1	K339 Q340 K344 I345	K339-K342 WeakPolarHBondContact O-CG 3.24Å; Q340-K342 PolarHBondContact O-N 2.76Å; K342-K344 VanDerWaalsContact C-N 3.33Å; K342-I345 HydrophobicContact CG-CD1 3.88Å
343	S	53.6	Low	80.5	Confident	117 Å²	117	75.5 Å²	75.5	82%	0.818	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-86	-1.2	171.3	52.8	0	0	0	0	114.4	S341	S341-S343 PolarHBondContact O-N 3.42Å
344	K	56.1	Low	80.7	Confident	162 Å²	162	74 Å²	74	70%	0.704	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	4	177.3	-64.3	-175	177	-177.5	0	112.9	S341 K342 H346	S341-K344 CarbonylContact O-C 3.56Å; S341-K344 VanDerWaalsContact O-C 3.24Å; S341-K344 VanDerWaalsContact O-CA 3.27Å; S341-K344 WeakPolarHBondContact O-CA 3.48Å; S341-K344 PolarHBondContact O-N 3.1Å; K342-K344 VanDerWaalsContact C-N 3.33Å; K344-H346 PolarHBondContact O-CD2 3.35Å; K344-H346 VanDerWaalsContact O-CD2 3.23Å; K344-H346 PolarHBondContact O-N 2.88Å
345	I	60.5	Low	81	Confident	76 Å²	76	73.2 Å²	73.2	39%	0.39	39%	0.392	S	S	.	.			trans	-67.5	114.6	163.2	-67.3	177.2	0	0	0	104.9	S341 K342	S341-I345 PolarHBondContact O-N 2.77Å; K342-I345 HydrophobicContact CG-CD1 3.88Å
346	H	64.4	Low	81.2	Confident	119 Å²	119	74.8 Å²	74.8	55%	0.551	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-66	153	172.7	-63.9	-121.8	0	0	0	108	K126 K344 A348	K126-H346 WeakPolarHBondContact CE-CD2 3.41Å; K126-H346 PolarHBondContact NZ-CD2 3.1Å; K126-H346 PolarHBondContact NZ-NE2 3.4Å; K344-H346 PolarHBondContact O-CD2 3.35Å; K344-H346 VanDerWaalsContact O-CD2 3.23Å; K344-H346 PolarHBondContact O-N 2.88Å; H346-A348 PolarHBondContact O-N 2.93Å
347	A	76.3	Confident	81.4	Confident	96 Å²	96	75.8 Å²	75.8	79%	0.793	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-52.2	139.7	169.4	0	0	0	0	0	109.1	R349	A347-R349 PolarHBondContact O-N 2.97Å
348	A	84.7	Confident	81.7	Confident	53 Å²	53	72.9 Å²	72.9	44%	0.438	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-59.3	129.1	177.1	0	0	0	0	0	108.7	S123 Y124 H346	S123-A348 CarbonylContact O-C 3.59Å; S123-A348 VanDerWaalsContact O-CA 3.27Å; S123-A348 WeakPolarHBondContact O-CA 3.32Å; Y124-A348 HydrophobicContact CD1-CB 4.11Å; Y124-A348 HydrophobicContact CE1-CB 3.96Å; H346-A348 PolarHBondContact O-N 2.93Å
349	R	92.8	Very high	82.3	Confident	43 Å²	43	72 Å²	72	16%	0.162	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-64	147.9	177.4	-59.1	-171.8	72.3	-171.5	0.5	108.9	S123 L125 N128 A347 E353 I354 D357	S123-R349 WeakPolarHBondContact CB-O 3.49Å; S123-R349 PolarHBondContact O-N 3.24Å; L125-R349 WeakPolarHBondContact O-CD 3.48Å; N128-R349 PolarHBondContact OD1-NH1 2.93Å; A347-R349 PolarHBondContact O-N 2.97Å; R349-E353 IonicContact CZ-OE1 3.89Å; R349-E353 IonicContact NE-OE1 2.61Å; R349-E353 PolarHBondContact NE-OE1 2.66Å; R349-E353 IonicContact NH2-OE1 2.7Å; R349-E353 PolarHBondContact NH2-OE1 3.18Å; R349-I354 HydrophobicContact CB-CD1 3.85Å; R349-I354 HydrophobicContact CB-CG1 3.93Å; R349-D357 IonicContact CZ-OD2 2.73Å; R349-D357 VanDerWaalsContact CZ-OD2 3.32Å; R349-D357 IonicContact NH1-OD2 3.98Å; R349-D357 PolarHBondContact NH1-OD2 3.01Å; R349-D357 IonicContact NH2-OD1 3.48Å; R349-D357 PolarHBondContact NH2-OD1 3.33Å; R349-D357 VanDerWaalsContact NH2-OD1 3.16Å; R349-D357 IonicContact NH2-OD2 3.48Å; R349-D357 PolarHBondContact NH2-OD2 3.43Å
350	S	95.8	Very high	82.6	Confident	54 Å²	54	72.8 Å²	72.8	38%	0.378	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-71	142.5	174.5	66.9	0	0	0	0	110	S352 E353 I354	S350-S352 PolarHBondContact O-N 2.8Å; S350-S352 PolarHBondContact OG-OG 3.16Å; S350-E353 PolarHBondContact N-OE2 2.93Å; S350-E353 WeakPolarHBondContact O-CB 3.46Å; S350-E353 PolarHBondContact O-N 2.78Å; S350-E353 WeakPolarHBondContact OG-CB 3.45Å; S350-E353 PolarHBondContact OG-N 2.91Å; S350-E353 PolarHBondContact OG-OE2 3.18Å; S350-I354 PolarHBondContact O-N 2.98Å
351	L	96.4	Very high	82.8	Confident	63 Å²	63	71.5 Å²	71.5	33%	0.33	40%	0.399	S	S	.	.	H	α-helix	trans	-64.7	-29.7	-178.7	-68.2	-179.2	0	0	0	112	I122 V220 I354 A355	I122-L351 HydrophobicContact CD1-CD2 4.49Å; I122-L351 HydrophobicContact CG1-CD2 4.35Å; V220-L351 HydrophobicContact CG1-CB 3.83Å; V220-L351 HydrophobicContact CG1-CD2 4.37Å; V220-L351 HydrophobicContact CG1-CG 4.46Å; L351-I354 HydrophobicContact CD2-CD1 4.39Å; L351-A355 WeakPolarHBondContact O-CB 3.4Å; L351-A355 PolarHBondContact O-N 2.85Å
352	S	96	Very high	82.5	Confident	72 Å²	72	70.4 Å²	70.4	50%	0.503	39%	0.394	S	S	.	.	H	α-helix	trans	-69	-41	172.5	44	0	0	0	0	113.1	S350 A355 I356	S350-S352 PolarHBondContact O-N 2.8Å; S350-S352 PolarHBondContact OG-OG 3.16Å; S352-A355 WeakPolarHBondContact O-CB 3.37Å; S352-A355 PolarHBondContact O-N 2.9Å; S352-I356 WeakPolarHBondContact O-CG1 3.32Å; S352-I356 PolarHBondContact O-N 2.97Å
353	E	95.7	Very high	81.9	Confident	73 Å²	73	68.1 Å²	68.1	34%	0.341	39%	0.394	S	S	.	.	H	α-helix	trans	-61.5	-45.7	172	175.5	-157.8	154	0	0	111	R349 S350 A355 I356 D357	R349-E353 IonicContact CZ-OE1 3.89Å; R349-E353 IonicContact NE-OE1 2.61Å; R349-E353 PolarHBondContact NE-OE1 2.66Å; R349-E353 IonicContact NH2-OE1 2.7Å; R349-E353 PolarHBondContact NH2-OE1 3.18Å; S350-E353 PolarHBondContact N-OE2 2.93Å; S350-E353 WeakPolarHBondContact O-CB 3.46Å; S350-E353 PolarHBondContact O-N 2.78Å; S350-E353 WeakPolarHBondContact OG-CB 3.45Å; S350-E353 PolarHBondContact OG-N 2.91Å; S350-E353 PolarHBondContact OG-OE2 3.18Å; E353-A355 VanDerWaalsContact C-N 3.29Å; E353-A355 PolarHBondContact O-N 3.3Å; E353-I356 PolarHBondContact O-N 3.41Å; E353-D357 WeakPolarHBondContact O-CB 3.36Å; E353-D357 PolarHBondContact O-N 2.91Å
354	I	96.4	Very high	81.2	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-58.4	-41.2	173	-70	168.5	0	0	0	111.1	I131 V220 R349 S350 L351 I356 D357 L358	I131-I354 HydrophobicContact CD1-CD1 4.01Å; I131-I354 HydrophobicContact CD1-CG1 3.99Å; I131-I354 HydrophobicContact CD1-CG2 3.76Å; I131-I354 HydrophobicContact CG2-CG2 4.23Å; V220-I354 HydrophobicContact CG2-CB 4.2Å; V220-I354 HydrophobicContact CG2-CG2 3.61Å; R349-I354 HydrophobicContact CB-CD1 3.85Å; R349-I354 HydrophobicContact CB-CG1 3.93Å; S350-I354 PolarHBondContact O-N 2.98Å; L351-I354 HydrophobicContact CD2-CD1 4.39Å; I354-I356 VanDerWaalsContact C-N 3.35Å; I354-I356 PolarHBondContact O-N 2.84Å; I354-D357 PolarHBondContact O-N 3.01Å; I354-L358 HydrophobicContact CG2-CD1 3.59Å; I354-L358 HydrophobicContact CG2-CG 4.15Å; I354-L358 WeakPolarHBondContact O-CB 3.43Å; I354-L358 VanDerWaalsContact O-CG 3.25Å; I354-L358 WeakPolarHBondContact O-CG 3.34Å; I354-L358 PolarHBondContact O-N 2.93Å
355	A	96.9	Very high	80.6	Confident	2 Å²	2	69.6 Å²	69.6	2%	0.017	39%	0.391	C	S	.	.	H	α-helix	trans	-65.6	-34.6	178	0	0	0	0	0	113	G216 Q217 V220 L351 S352 E353 T359	G216-A355 WeakPolarHBondContact CA-O 3.33Å; Q217-A355 HydrophobicContact CB-CB 4.18Å; V220-A355 HydrophobicContact CG2-CB 4.12Å; L351-A355 WeakPolarHBondContact O-CB 3.4Å; L351-A355 PolarHBondContact O-N 2.85Å; S352-A355 WeakPolarHBondContact O-CB 3.37Å; S352-A355 PolarHBondContact O-N 2.9Å; E353-A355 VanDerWaalsContact C-N 3.29Å; E353-A355 PolarHBondContact O-N 3.3Å; A355-T359 WeakPolarHBondContact O-CB 3.48Å; A355-T359 PolarHBondContact O-N 2.86Å; A355-T359 PolarHBondContact O-OG1 3.16Å
356	I	96.1	Very high	79.8	Confident	95 Å²	95	71.8 Å²	71.8	49%	0.487	41%	0.408	S	S	.	.	H	α-helix	trans	-68.8	-55.7	173	-66.6	161.9	0	0	0	109.6	S352 E353 I354 L358 T359 E360	S352-I356 WeakPolarHBondContact O-CG1 3.32Å; S352-I356 PolarHBondContact O-N 2.97Å; E353-I356 PolarHBondContact O-N 3.41Å; I354-I356 VanDerWaalsContact C-N 3.35Å; I354-I356 PolarHBondContact O-N 2.84Å; I356-L358 VanDerWaalsContact C-N 3.33Å; I356-L358 PolarHBondContact O-N 2.88Å; I356-T359 WeakPolarHBondContact O-CA 3.12Å; I356-T359 WeakPolarHBondContact O-CB 3.31Å; I356-T359 PolarHBondContact O-N 2.83Å; I356-E360 HydrophobicContact CG2-CG 4.4Å; I356-E360 WeakPolarHBondContact CG2-OE1 3.41Å; I356-E360 PolarHBondContact O-N 2.78Å
357	D	94.8	Very high	78.6	Confident	42 Å²	42	69.8 Å²	69.8	23%	0.225	41%	0.408	C	S	.	.	H	α-helix	trans	-48.1	-48.6	178.3	-100.3	52.7	0	0	0	113.2	N128 R349 E353 I354 T359 T361	N128-D357 WeakPolarHBondContact ND2-CB 3.4Å; N128-D357 PolarHBondContact ND2-OD2 2.98Å; N128-D357 PolarHBondContact OD1-OD2 2.81Å; N128-D357 VanDerWaalsContact OD1-OD2 3.1Å; R349-D357 IonicContact CZ-OD2 2.73Å; R349-D357 VanDerWaalsContact CZ-OD2 3.32Å; R349-D357 IonicContact NH1-OD2 3.98Å; R349-D357 PolarHBondContact NH1-OD2 3.01Å; R349-D357 IonicContact NH2-OD1 3.48Å; R349-D357 PolarHBondContact NH2-OD1 3.33Å; R349-D357 VanDerWaalsContact NH2-OD1 3.16Å; R349-D357 IonicContact NH2-OD2 3.48Å; R349-D357 PolarHBondContact NH2-OD2 3.43Å; E353-D357 WeakPolarHBondContact O-CB 3.36Å; E353-D357 PolarHBondContact O-N 2.91Å; I354-D357 PolarHBondContact O-N 3.01Å; D357-T359 VanDerWaalsContact C-N 3.31Å; D357-T359 PolarHBondContact O-N 2.94Å; D357-T361 VanDerWaalsContact O-CB 3.23Å; D357-T361 WeakPolarHBondContact O-CB 3.25Å; D357-T361 PolarHBondContact O-N 2.83Å; D357-T361 PolarHBondContact O-OG1 3.06Å
358	L	94.6	Very high	76.6	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-72.2	-23	-179.7	-71.9	173.9	0	0	0	113.5	N128 I131 E132 R215 I219 V220 I354 I356 G362	N128-L358 HydrophobicContact CB-CD2 4.12Å; I131-L358 HydrophobicContact CG2-CD1 3.92Å; E132-L358 HydrophobicContact CG-CD2 3.56Å; R215-L358 PolarHBondContact NH1-O 2.86Å; I219-L358 HydrophobicContact CB-CD1 4.11Å; I219-L358 HydrophobicContact CD1-CD1 4.37Å; I219-L358 HydrophobicContact CG2-CD1 3.74Å; V220-L358 HydrophobicContact CG2-CD1 4.49Å; I354-L358 HydrophobicContact CG2-CD1 3.59Å; I354-L358 HydrophobicContact CG2-CG 4.15Å; I354-L358 WeakPolarHBondContact O-CB 3.43Å; I354-L358 VanDerWaalsContact O-CG 3.25Å; I354-L358 WeakPolarHBondContact O-CG 3.34Å; I354-L358 PolarHBondContact O-N 2.93Å; I356-L358 VanDerWaalsContact C-N 3.33Å; I356-L358 PolarHBondContact O-N 2.88Å; L358-G362 PolarHBondContact O-N 2.96Å; L358-G362 VanDerWaalsContact O-N 3.12Å
359	T	94.4	Very high	74.4	Confident	44 Å²	44	79.8 Å²	79.8	27%	0.27	43%	0.431	S	S	.	.	H	α-helix	trans	-77.9	-49.8	174.6	-58.4	0	0	0	0	110.2	S214 G216 A355 I356 D357 G362	S214-T359 VanDerWaalsContact CB-OG1 3.24Å; S214-T359 WeakPolarHBondContact CB-OG1 3.38Å; S214-T359 PolarHBondContact OG-OG1 2.86Å; G216-T359 PolarHBondContact N-OG1 2.87Å; A355-T359 WeakPolarHBondContact O-CB 3.48Å; A355-T359 PolarHBondContact O-N 2.86Å; A355-T359 PolarHBondContact O-OG1 3.16Å; I356-T359 WeakPolarHBondContact O-CA 3.12Å; I356-T359 WeakPolarHBondContact O-CB 3.31Å; I356-T359 PolarHBondContact O-N 2.83Å; D357-T359 VanDerWaalsContact C-N 3.31Å; D357-T359 PolarHBondContact O-N 2.94Å; T359-G362 PolarHBondContact O-N 2.83Å
360	E	89.1	Confident	72	Confident	130 Å²	130	81.3 Å²	81.3	61%	0.607	45%	0.452	S	S	*	.	H	α-helix	trans	-59.4	-51	176.7	-67.2	-176.5	-170.1	0	0	111.1	I356 G362 T363	I356-E360 HydrophobicContact CG2-CG 4.4Å; I356-E360 WeakPolarHBondContact CG2-OE1 3.41Å; I356-E360 PolarHBondContact O-N 2.78Å; E360-G362 VanDerWaalsContact C-N 3.3Å; E360-G362 PolarHBondContact O-N 3.23Å; E360-T363 PolarHBondContact O-N 3.21Å; E360-T363 PolarHBondContact O-OG1 3.2Å
361	T	79.2	Confident	68.9	Low	65 Å²	65	86 Å²	86	40%	0.399	47%	0.473	S	S	.	.	H	α-helix	trans	-61.5	-37.8	178.2	-51.1	0	0	0	0	111.8	D357 T363 L364	D357-T361 VanDerWaalsContact O-CB 3.23Å; D357-T361 WeakPolarHBondContact O-CB 3.25Å; D357-T361 PolarHBondContact O-N 2.83Å; D357-T361 PolarHBondContact O-OG1 3.06Å; T361-T363 PolarHBondContact O-N 2.71Å; T361-T363 VanDerWaalsContact O-N 3.17Å; T361-L364 PolarHBondContact O-N 3.08Å
362	G	61.8	Low	66.1	Low	20 Å²	20	91.9 Å²	91.9	21%	0.206	50%	0.501	C	S	.	.	H	α-helix	trans	-65.5	-16	-175.4	0	0	0	0	0	115.6	R215 L358 T359 E360 L364	R215-G362 VanDerWaalsContact NH1-CA 3.31Å; L358-G362 PolarHBondContact O-N 2.96Å; L358-G362 VanDerWaalsContact O-N 3.12Å; T359-G362 PolarHBondContact O-N 2.83Å; E360-G362 VanDerWaalsContact C-N 3.3Å; E360-G362 PolarHBondContact O-N 3.23Å; G362-L364 PolarHBondContact O-N 2.91Å
363	T	44.7	Very low	63.1	Low	105 Å²	105	91.4 Å²	91.4	64%	0.644	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-28.2	174.8	61.1	0	0	0	0	112.6	E360 T361 K365	E360-T363 PolarHBondContact O-N 3.21Å; E360-T363 PolarHBondContact O-OG1 3.2Å; T361-T363 PolarHBondContact O-N 2.71Å; T361-T363 VanDerWaalsContact O-N 3.17Å; T363-K365 VanDerWaalsContact C-N 3.32Å; T363-K365 PolarHBondContact O-N 3.33Å
364	L	39.6	Very low	60.5	Low	147 Å²	147	94.2 Å²	94.2	77%	0.77	54%	0.535	S	S	*	.	S	Bend	trans	-84.8	69.9	178.2	-63.9	-179.6	0	0	0	111.7	T361 G362 T366	T361-L364 PolarHBondContact O-N 3.08Å; G362-L364 PolarHBondContact O-N 2.91Å; L364-T366 PolarHBondContact O-N 2.95Å
365	K	43.5	Very low	57.8	Low	163 Å²	163	103.6 Å²	103.6	71%	0.709	58%	0.576	S	S	*	*			trans	-37.5	126.4	179.8	-63.3	-175.5	179.8	-177.2	0	113.2	T363 S367 K368	T363-K365 VanDerWaalsContact C-N 3.32Å; T363-K365 PolarHBondContact O-N 3.33Å; K365-S367 PolarHBondContact O-N 3.4Å; K365-K368 PolarHBondContact O-N 3.44Å
366	T	42.3	Very low	55.4	Low	121 Å²	121	107.8 Å²	107.8	74%	0.742	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	1.5	-176.4	48.9	0	0	0	0	116	L364	L364-T366 PolarHBondContact O-N 2.95Å
367	S	40.1	Very low	52.6	Low	77 Å²	77	112.2 Å²	112.2	54%	0.538	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.3	-23.8	179.7	56.5	0	0	0	0	115.1	K365 L369 A370	K365-S367 PolarHBondContact O-N 3.4Å; S367-L369 PolarHBondContact O-N 2.92Å; S367-A370 WeakPolarHBondContact O-CB 3.27Å; S367-A370 PolarHBondContact O-N 2.95Å
368	K	34.2	Very low	50	Low	193 Å²	193	116.3 Å²	116.3	84%	0.839	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-76.4	-16.8	-172	-83.8	-173	174.4	179.6	0	115.7	K365 A370	K365-K368 PolarHBondContact O-N 3.44Å; K368-A370 VanDerWaalsContact C-N 3.27Å; K368-A370 PolarHBondContact O-N 3.37Å
369	L	38.2	Very low	47.4	Very low	167 Å²	167	123.3 Å²	123.3	87%	0.874	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-76.3	-10.9	171.3	-96.1	158.7	0	0	0	113.7	S367	S367-L369 PolarHBondContact O-N 2.92Å
370	A	41.3	Very low	44.5	Very low	74 Å²	74	125 Å²	125	61%	0.612	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-84.1	-12.7	-174.9	0	0	0	0	0	114.9	S367 K368 M372	S367-A370 WeakPolarHBondContact O-CB 3.27Å; S367-A370 PolarHBondContact O-N 2.95Å; K368-A370 VanDerWaalsContact C-N 3.27Å; K368-A370 PolarHBondContact O-N 3.37Å; A370-M372 VanDerWaalsContact C-N 3.33Å; A370-M372 PolarHBondContact O-N 3.2Å
371	N	31.9	Very low	42.1	Very low	152 Å²	152	121.8 Å²	121.8	81%	0.813	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-86.5	8.2	-168.9	-151	52.6	0	0	0	115.3	G373	N371-G373 PolarHBondContact O-N 3.14Å
372	M	37.1	Very low	39.8	Very low	188 Å²	188	123 Å²	123	93%	0.926	72%	0.718	S	S	*	*	S	Bend	trans	-81.5	63.6	170.9	-74.9	-137.7	70.5	0	0	112.6	A370	A370-M372 VanDerWaalsContact C-N 3.33Å; A370-M372 PolarHBondContact O-N 3.2Å
373	G	34.3	Very low	38.8	Very low	61 Å²	61	128.1 Å²	128.1	63%	0.629	75%	0.751	S	S	*	*			trans	64.5	80.1	148.9	0	0	0	0	0	117.9	N371 K375	N371-G373 PolarHBondContact O-N 3.14Å; G373-K375 VanDerWaalsContact C-N 3.33Å; G373-K375 PolarHBondContact O-N 3.17Å
374	S	40.2	Very low	38.2	Very low	132 Å²	132	127.3 Å²	127.3	92%	0.923	76%	0.763	S	S	*	*			trans	-63.9	84.9	163.9	-66.7	0	0	0	0	112.8
375	K	40.2	Very low	37.7	Very low	197 Å²	197	125 Å²	125	86%	0.857	76%	0.759	S	S	*	*			trans	-128.1	127.8	152.4	-75.3	-168.3	175.6	-179.1	0	109	G373 K377	G373-K375 VanDerWaalsContact C-N 3.33Å; G373-K375 PolarHBondContact O-N 3.17Å; K375-K377 PolarHBondContact O-N 3.34Å; K375-K377 VanDerWaalsContact O-N 3.14Å
376	G	46.5	Very low	37.4	Very low	90 Å²	90	125.8 Å²	125.8	93%	0.928	77%	0.77	S	S	*	*			trans	-58.8	114.1	-161.3	0	0	0	0	0	114.2
377	K	37	Very low	36.9	Very low	189 Å²	189	127.6 Å²	127.6	82%	0.822	78%	0.775	S	S	*	*			trans	-123.1	106.6	164.9	-168.4	175.1	-174.6	-179.8	0	108.4	K375 I379	K375-K377 PolarHBondContact O-N 3.34Å; K375-K377 VanDerWaalsContact O-N 3.14Å; K377-I379 PolarHBondContact O-N 2.68Å; K377-I379 VanDerWaalsContact O-N 3.09Å
378	I	40.4	Very low	36.3	Very low	128 Å²	128	129.4 Å²	129.4	66%	0.656	79%	0.787	S	S	*	*			trans	-61.4	114	175.8	-58.2	168.9	0	0	0	107.3	L51 S380	L51-I378 HydrophobicContact CB-CG2 4.09Å; L51-I378 HydrophobicContact CD2-CG2 4.07Å; I378-S380 VanDerWaalsContact C-N 3.28Å; I378-S380 PolarHBondContact O-N 3.12Å
379	I	39.3	Very low	36.5	Very low	147 Å²	147	126.6 Å²	126.6	75%	0.754	79%	0.791	S	S	*	*			trans	-75.2	86.8	179	-57.5	178.1	0	0	0	108.1	K377 G381	K377-I379 PolarHBondContact O-N 2.68Å; K377-I379 VanDerWaalsContact O-N 3.09Å; I379-G381 VanDerWaalsContact C-N 3.32Å; I379-G381 PolarHBondContact O-N 3.5Å
380	S	32.9	Very low	36.1	Very low	78 Å²	78	121.5 Å²	121.5	55%	0.545	78%	0.779	S	S	.	*			trans	-70.5	88.6	170.4	-179.6	0	0	0	0	109.3	I378 S382	I378-S380 VanDerWaalsContact C-N 3.28Å; I378-S380 PolarHBondContact O-N 3.12Å; S380-S382 PolarHBondContact O-N 2.95Å; S380-S382 VanDerWaalsContact O-N 3.11Å
381	G	38.9	Very low	36	Very low	64 Å²	64	123.3 Å²	123.3	66%	0.66	79%	0.788	S	S	*	*			trans	-65.5	106.8	178.1	0	0	0	0	0	112	I379	I379-G381 VanDerWaalsContact C-N 3.32Å; I379-G381 PolarHBondContact O-N 3.5Å
382	S	30.9	Very low	36.6	Very low	90 Å²	90	123.9 Å²	123.9	63%	0.629	79%	0.786	S	S	*	*			trans	-142.2	114.3	172.9	56.8	0	0	0	0	111.6	S380	S380-S382 PolarHBondContact O-N 2.95Å; S380-S382 VanDerWaalsContact O-N 3.11Å
383	S	40.8	Very low	36.4	Very low	128 Å²	128	122.4 Å²	122.4	90%	0.895	78%	0.776	S	S	*	*			trans	51.3	106.8	162.2	53.2	0	0	0	0	118.3
384	G	32.5	Very low	37	Very low	87 Å²	87	122.7 Å²	122.7	90%	0.897	77%	0.769	S	S	*	*			trans	-165.9	66.2	170.3	0	0	0	0	0	111.8
385	S	29.9	Very low	37.2	Very low	99 Å²	99	122.7 Å²	122.7	69%	0.692	76%	0.759	S	S	*	*			trans	-105.4	116.1	177.5	-176.9	0	0	0	0	110.8
386	L	35.6	Very low	37.6	Very low	180 Å²	180	117.5 Å²	117.5	94%	0.942	75%	0.747	S	S	*	*			trans	-138.6	140.8	145.5	-78.8	-175.9	0	0	0	108.4
387	L	33.1	Very low	38	Very low	159 Å²	159	114.9 Å²	114.9	83%	0.832	71%	0.714	S	S	*	*			trans	-110	150.5	-176.8	-61.8	163.9	0	0	0	109.1
388	S	27.5	Very low	39.1	Very low	115 Å²	115	112.7 Å²	112.7	80%	0.804	71%	0.707	S	S	*	*				171.6	123.2	119.4	-171.2	0	0	0	0	110.1
389	S	37.8	Very low	40.4	Very low	133 Å²	133	110.2 Å²	110.2	93%	0.93	70%	0.698	S	S	*	*			trans	-111	124.8	161.9	-178.5	0	0	0	0	107.3
390	G	30	Very low	42.3	Very low	60 Å²	60	105.8 Å²	105.8	62%	0.619	68%	0.684	S	S	*	*			trans	-152.3	47.2	-148.9	0	0	0	0	0	116.6
391	S	39.7	Very low	44.2	Very low	113 Å²	113	107.4 Å²	107.4	79%	0.79	68%	0.681	S	S	*	*			trans	74.4	147.5	162	-165.3	0	0	0	0	118.5
392	Q	43.4	Very low	46.3	Very low	164 Å²	164	111.7 Å²	111.7	77%	0.766	68%	0.681	S	S	*	*			trans	72.1	67.2	160.9	-159.6	169.7	-12.2	0	0	117.4	S394	Q392-S394 PolarHBondContact O-N 3.19Å; Q392-S394 VanDerWaalsContact O-N 3.14Å
393	E	33.4	Very low	48.9	Very low	156 Å²	156	111.8 Å²	111.8	73%	0.729	68%	0.675	S	S	*	*			trans	-53.8	113.2	151.4	-93.6	65.2	-136	0	0	111
394	S	47.4	Very low	51	Low	68 Å²	68	111.2 Å²	111.2	48%	0.476	66%	0.659	S	S	.	*			trans	-71.8	159	171.5	-58.6	0	0	0	0	112.5	Q392 S396 S397	Q392-S394 PolarHBondContact O-N 3.19Å; Q392-S394 VanDerWaalsContact O-N 3.14Å; S394-S396 PolarHBondContact O-N 2.84Å; S394-S397 VanDerWaalsContact O-CB 3.24Å; S394-S397 WeakPolarHBondContact O-CB 3.44Å; S394-S397 PolarHBondContact O-N 2.98Å
395	D	44.9	Very low	53.4	Low	132 Å²	132	111.6 Å²	111.6	71%	0.706	64%	0.64	S	S	*	*	H	α-helix	trans	-55.2	-27.2	-179.1	-66.3	-56.4	0	0	0	114.3	S397 Q398 T399	D395-S397 PolarHBondContact O-N 3.43Å; D395-Q398 WeakPolarHBondContact O-CA 3.32Å; D395-Q398 WeakPolarHBondContact O-CB 3.45Å; D395-Q398 PolarHBondContact O-N 3.44Å; D395-T399 PolarHBondContact O-N 3.16Å; D395-T399 PolarHBondContact O-OG1 3.23Å
396	S	48.8	Very low	56.2	Low	87 Å²	87	109.4 Å²	109.4	61%	0.608	63%	0.628	S	S	*	*	H	α-helix	trans	-55.5	-31.5	171.7	52.6	0	0	0	0	113.5	S394 Q398 A400	S394-S396 PolarHBondContact O-N 2.84Å; S396-Q398 VanDerWaalsContact C-N 3.34Å; S396-A400 WeakPolarHBondContact O-CB 3.43Å; S396-A400 PolarHBondContact O-N 3.3Å
397	S	53.8	Low	58.8	Low	35 Å²	35	103.2 Å²	103.2	25%	0.245	60%	0.603	C	S	.	*	H	α-helix	trans	-69.2	-30.2	173.6	-170.5	0	0	0	0	112.3	S394 D395 K401	S394-S397 VanDerWaalsContact O-CB 3.24Å; S394-S397 WeakPolarHBondContact O-CB 3.44Å; S394-S397 PolarHBondContact O-N 2.98Å; D395-S397 PolarHBondContact O-N 3.43Å; S397-K401 VanDerWaalsContact O-CD 3.25Å; S397-K401 WeakPolarHBondContact O-CD 3.49Å; S397-K401 WeakPolarHBondContact O-CG 3.44Å; S397-K401 PolarHBondContact O-N 2.96Å; S397-K401 PolarHBondContact OG-NZ 3.3Å; S397-K401 VanDerWaalsContact OG-NZ 3.13Å
398	Q	59.3	Low	61.3	Low	143 Å²	143	100.2 Å²	100.2	67%	0.668	59%	0.587	S	S	*	*	H	α-helix	trans	-76.9	-42.7	174.6	-65.2	-136.6	10.7	0	0	111.6	D395 S396 K401 K402	D395-Q398 WeakPolarHBondContact O-CA 3.32Å; D395-Q398 WeakPolarHBondContact O-CB 3.45Å; D395-Q398 PolarHBondContact O-N 3.44Å; S396-Q398 VanDerWaalsContact C-N 3.34Å; Q398-K401 PolarHBondContact O-N 3.15Å; Q398-K402 PolarHBondContact O-N 2.94Å
399	T	68.9	Low	64.1	Low	76 Å²	76	101.8 Å²	101.8	47%	0.466	58%	0.576	S	S	.	*	H	α-helix	trans	-58.9	-49.2	174.7	-50.4	0	0	0	0	110.9	D395 K401 K402 D403	D395-T399 PolarHBondContact O-N 3.16Å; D395-T399 PolarHBondContact O-OG1 3.23Å; T399-K401 VanDerWaalsContact C-N 3.26Å; T399-K401 PolarHBondContact O-N 2.92Å; T399-K402 WeakPolarHBondContact O-CB 3.15Å; T399-K402 PolarHBondContact O-N 3.31Å; T399-D403 VanDerWaalsContact O-CG 3.25Å; T399-D403 PolarHBondContact O-N 2.99Å
400	A	78.6	Confident	66.7	Low	55 Å²	55	98 Å²	98	46%	0.455	55%	0.553	S	S	.	*	H	α-helix	trans	-58.5	-34.5	176.9	0	0	0	0	0	113.6	S396 M404	S396-A400 WeakPolarHBondContact O-CB 3.43Å; S396-A400 PolarHBondContact O-N 3.3Å; A400-M404 VanDerWaalsContact O-CB 3.23Å; A400-M404 WeakPolarHBondContact O-CB 3.37Å; A400-M404 PolarHBondContact O-N 3.47Å; A400-M404 VanDerWaalsContact O-N 3.09Å
401	K	73.8	Confident	69.5	Low	111 Å²	111	103.3 Å²	103.3	48%	0.483	55%	0.554	S	S	.	*	H	α-helix	trans	-71.8	-39.8	173.6	-73.6	164.5	-173.3	155.6	0	112.2	S397 Q398 T399 L405	S397-K401 VanDerWaalsContact O-CD 3.25Å; S397-K401 WeakPolarHBondContact O-CD 3.49Å; S397-K401 WeakPolarHBondContact O-CG 3.44Å; S397-K401 PolarHBondContact O-N 2.96Å; S397-K401 PolarHBondContact OG-NZ 3.3Å; S397-K401 VanDerWaalsContact OG-NZ 3.13Å; Q398-K401 PolarHBondContact O-N 3.15Å; T399-K401 VanDerWaalsContact C-N 3.26Å; T399-K401 PolarHBondContact O-N 2.92Å; K401-L405 WeakPolarHBondContact O-CB 3.42Å; K401-L405 VanDerWaalsContact O-CG 3.32Å; K401-L405 WeakPolarHBondContact O-CG 3.4Å; K401-L405 PolarHBondContact O-N 3.33Å
402	K	81.3	Confident	71.9	Confident	154 Å²	154	103 Å²	103	67%	0.67	54%	0.54	S	S	*	.	H	α-helix	trans	-63.9	-44.7	176.5	-174.9	-177.7	176	-174	0	111.4	Q398 T399 L405 A406	Q398-K402 PolarHBondContact O-N 2.94Å; T399-K402 WeakPolarHBondContact O-CB 3.15Å; T399-K402 PolarHBondContact O-N 3.31Å; K402-L405 PolarHBondContact O-N 2.93Å; K402-A406 PolarHBondContact O-N 3.49Å
403	D	87.1	Confident	74.2	Confident	92 Å²	92	100.9 Å²	100.9	49%	0.492	53%	0.53	S	S	.	.	H	α-helix	trans	-69.5	-37.2	-179.8	-60.2	-16.7	0	0	0	111	T399 A406 A407	T399-D403 VanDerWaalsContact O-CG 3.25Å; T399-D403 PolarHBondContact O-N 2.99Å; D403-A406 PolarHBondContact O-N 3.11Å; D403-A407 WeakPolarHBondContact O-CB 3.27Å; D403-A407 PolarHBondContact O-N 3.35Å
404	M	84.6	Confident	77	Confident	117 Å²	117	96 Å²	96	58%	0.576	52%	0.516	S	S	*	.	H	α-helix	trans	-62.3	-42.6	171.2	-170.4	-171.7	-49.8	0	0	112	A400 A407 L408	A400-M404 VanDerWaalsContact O-CB 3.23Å; A400-M404 WeakPolarHBondContact O-CB 3.37Å; A400-M404 PolarHBondContact O-N 3.47Å; A400-M404 VanDerWaalsContact O-N 3.09Å; M404-A407 PolarHBondContact O-N 3.37Å; M404-L408 HydrophobicContact CG-CD1 4.34Å; M404-L408 WeakPolarHBondContact O-CB 3.22Å; M404-L408 VanDerWaalsContact O-CG 3.27Å; M404-L408 WeakPolarHBondContact O-CG 3.27Å; M404-L408 PolarHBondContact O-N 2.95Å
405	L	82.9	Confident	79.1	Confident	95 Å²	95	98.5 Å²	98.5	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-65.9	-37.4	174.7	-75.2	167.5	0	0	0	112.4	K401 K402 L408 R409	K401-L405 WeakPolarHBondContact O-CB 3.42Å; K401-L405 VanDerWaalsContact O-CG 3.32Å; K401-L405 WeakPolarHBondContact O-CG 3.4Å; K401-L405 PolarHBondContact O-N 3.33Å; K402-L405 PolarHBondContact O-N 2.93Å; L405-L408 PolarHBondContact O-N 3.47Å; L405-R409 PolarHBondContact O-N 3Å
406	A	89.2	Confident	81.2	Confident	53 Å²	53	96.8 Å²	96.8	44%	0.438	51%	0.511	S	S	.	.	H	α-helix	trans	-65.1	-45.6	173.8	0	0	0	0	0	111.5	K402 D403 L408 R409 A410	K402-A406 PolarHBondContact O-N 3.49Å; D403-A406 PolarHBondContact O-N 3.11Å; A406-L408 VanDerWaalsContact C-N 3.28Å; A406-L408 PolarHBondContact O-N 3.44Å; A406-R409 PolarHBondContact O-N 2.93Å; A406-A410 WeakPolarHBondContact O-CB 3.47Å; A406-A410 PolarHBondContact O-N 3.33Å
407	A	90.1	Very high	83.3	Confident	50 Å²	50	96.3 Å²	96.3	41%	0.413	50%	0.5	S	S	.	.	H	α-helix	trans	-64.9	-29	176	0	0	0	0	0	113.2	D403 M404 R411	D403-A407 WeakPolarHBondContact O-CB 3.27Å; D403-A407 PolarHBondContact O-N 3.35Å; M404-A407 PolarHBondContact O-N 3.37Å; A407-R411 WeakPolarHBondContact O-CB 3.33Å; A407-R411 WeakPolarHBondContact O-CD 3.32Å; A407-R411 VanDerWaalsContact O-CG 3.24Å; A407-R411 WeakPolarHBondContact O-CG 3.41Å; A407-R411 PolarHBondContact O-N 2.97Å
408	L	85.1	Confident	85.1	Confident	95 Å²	95	98 Å²	98	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-74.5	-41.2	173	-73.9	169.9	0	0	0	112.2	M404 L405 A406 R411 Q412	M404-L408 HydrophobicContact CG-CD1 4.34Å; M404-L408 WeakPolarHBondContact O-CB 3.22Å; M404-L408 VanDerWaalsContact O-CG 3.27Å; M404-L408 WeakPolarHBondContact O-CG 3.27Å; M404-L408 PolarHBondContact O-N 2.95Å; L405-L408 PolarHBondContact O-N 3.47Å; A406-L408 VanDerWaalsContact C-N 3.28Å; A406-L408 PolarHBondContact O-N 3.44Å; L408-R411 PolarHBondContact O-N 3.23Å; L408-Q412 PolarHBondContact O-N 2.85Å
409	R	86.3	Confident	86.6	Confident	149 Å²	149	96.1 Å²	96.1	56%	0.562	50%	0.502	S	S	*	.	H	α-helix	trans	-62.9	-47.3	172.7	-72.5	-167.7	-172.4	97.4	-0.1	112.3	L405 A406 R411 Q412 E413	L405-R409 PolarHBondContact O-N 3Å; A406-R409 PolarHBondContact O-N 2.93Å; R409-R411 PolarHBondContact O-N 3.37Å; R409-R411 VanDerWaalsContact O-N 3.17Å; R409-Q412 CarbonylContact O-C 3.57Å; R409-Q412 WeakPolarHBondContact O-CA 3.43Å; R409-Q412 WeakPolarHBondContact O-CB 3.49Å; R409-Q412 PolarHBondContact O-N 3.22Å; R409-E413 WeakPolarHBondContact O-CG 3.27Å; R409-E413 PolarHBondContact O-N 2.96Å
410	A	91.9	Very high	87.6	Confident	54 Å²	54	99 Å²	99	45%	0.446	51%	0.505	S	S	.	.	H	α-helix	trans	-59.5	-30.3	176.3	0	0	0	0	0	112.8	A406 A414	A406-A410 WeakPolarHBondContact O-CB 3.47Å; A406-A410 PolarHBondContact O-N 3.33Å; A410-A414 VanDerWaalsContact O-CB 3.25Å; A410-A414 WeakPolarHBondContact O-CB 3.49Å; A410-A414 PolarHBondContact O-N 3.48Å; A410-A414 VanDerWaalsContact O-N 3.08Å
411	R	88.3	Confident	88.2	Confident	170 Å²	170	101.5 Å²	101.5	64%	0.642	51%	0.507	S	S	*	.	H	α-helix	trans	-75.2	-36.5	171.7	-77.3	173.5	-179.3	-175.7	1.8	113.2	A407 L408 R409 L415	A407-R411 WeakPolarHBondContact O-CB 3.33Å; A407-R411 WeakPolarHBondContact O-CD 3.32Å; A407-R411 VanDerWaalsContact O-CG 3.24Å; A407-R411 WeakPolarHBondContact O-CG 3.41Å; A407-R411 PolarHBondContact O-N 2.97Å; L408-R411 PolarHBondContact O-N 3.23Å; R409-R411 PolarHBondContact O-N 3.37Å; R409-R411 VanDerWaalsContact O-N 3.17Å; R411-L415 WeakPolarHBondContact O-CB 2.92Å; R411-L415 WeakPolarHBondContact O-CD1 3.49Å; R411-L415 WeakPolarHBondContact O-CG 3.46Å; R411-L415 PolarHBondContact O-N 2.98Å
412	Q	90.5	Very high	89.1	Confident	108 Å²	108	103.4 Å²	103.4	51%	0.505	51%	0.511	S	S	.	.	H	α-helix	trans	-62.6	-53.4	172.6	175.6	-179.6	-10	0	0	110.1	L408 R409 A414 L415 E416	L408-Q412 PolarHBondContact O-N 2.85Å; R409-Q412 CarbonylContact O-C 3.57Å; R409-Q412 WeakPolarHBondContact O-CA 3.43Å; R409-Q412 WeakPolarHBondContact O-CB 3.49Å; R409-Q412 PolarHBondContact O-N 3.22Å; Q412-A414 VanDerWaalsContact C-N 3.33Å; Q412-A414 PolarHBondContact O-N 3.48Å; Q412-L415 PolarHBondContact O-N 3.19Å; Q412-E416 HydrophobicContact CG-CG 4.41Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.31Å; Q412-E416 PolarHBondContact NE2-OE1 3.23Å; Q412-E416 WeakPolarHBondContact O-CG 3.39Å; Q412-E416 PolarHBondContact O-N 3.3Å
413	E	91.9	Very high	89.4	Confident	118 Å²	118	99.4 Å²	99.4	55%	0.551	50%	0.497	S	S	*	.	H	α-helix	trans	-54.8	-46.3	177.4	-69.6	159.4	-160.8	0	0	111.3	R409 L415 E416 E417	R409-E413 WeakPolarHBondContact O-CG 3.27Å; R409-E413 PolarHBondContact O-N 2.96Å; E413-L415 VanDerWaalsContact C-N 3.34Å; E413-L415 PolarHBondContact O-N 2.77Å; E413-E416 PolarHBondContact O-N 3.21Å; E413-E417 VanDerWaalsContact O-CB 3.23Å; E413-E417 WeakPolarHBondContact O-CB 3.45Å; E413-E417 PolarHBondContact O-N 3.37Å
414	A	91.9	Very high	89.4	Confident	53 Å²	53	100.7 Å²	100.7	44%	0.438	50%	0.5	S	S	.	.	H	α-helix	trans	-65.6	-31.3	176.3	0	0	0	0	0	114	A410 Q412 T418	A410-A414 VanDerWaalsContact O-CB 3.25Å; A410-A414 WeakPolarHBondContact O-CB 3.49Å; A410-A414 PolarHBondContact O-N 3.48Å; A410-A414 VanDerWaalsContact O-N 3.08Å; Q412-A414 VanDerWaalsContact C-N 3.33Å; Q412-A414 PolarHBondContact O-N 3.48Å; A414-T418 WeakPolarHBondContact O-CB 3.29Å; A414-T418 PolarHBondContact O-N 3.26Å; A414-T418 PolarHBondContact O-OG1 2.94Å
415	L	91.3	Very high	89.6	Confident	122 Å²	122	99.5 Å²	99.5	64%	0.639	49%	0.493	S	S	*	.	H	α-helix	trans	-76.7	-37.6	175.3	-75.6	169.3	0	0	0	112	R411 Q412 E413 T418 L419	R411-L415 WeakPolarHBondContact O-CB 2.92Å; R411-L415 WeakPolarHBondContact O-CD1 3.49Å; R411-L415 WeakPolarHBondContact O-CG 3.46Å; R411-L415 PolarHBondContact O-N 2.98Å; Q412-L415 PolarHBondContact O-N 3.19Å; E413-L415 VanDerWaalsContact C-N 3.34Å; E413-L415 PolarHBondContact O-N 2.77Å; L415-T418 PolarHBondContact O-N 3.02Å; L415-L419 VanDerWaalsContact O-CB 3.3Å; L415-L419 WeakPolarHBondContact O-CB 3.38Å; L415-L419 PolarHBondContact O-N 3.37Å
416	E	89.4	Confident	89.9	Confident	95 Å²	95	97.8 Å²	97.8	44%	0.444	48%	0.484	S	S	.	.	H	α-helix	trans	-67.1	-39.6	173.6	-71.6	173.1	-169.4	0	0	111.2	Q412 E413 L419 R420	Q412-E416 HydrophobicContact CG-CG 4.41Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.31Å; Q412-E416 PolarHBondContact NE2-OE1 3.23Å; Q412-E416 WeakPolarHBondContact O-CG 3.39Å; Q412-E416 PolarHBondContact O-N 3.3Å; E413-E416 PolarHBondContact O-N 3.21Å; E416-L419 PolarHBondContact O-N 2.89Å; E416-R420 WeakPolarHBondContact O-CB 3.44Å; E416-R420 PolarHBondContact O-N 2.72Å
417	E	93.4	Very high	89.8	Confident	78 Å²	78	96.2 Å²	96.2	36%	0.364	47%	0.467	S	S	.	.	H	α-helix	trans	-60.9	-49.1	170.9	-173.2	58.5	-128	0	0	111.4	E413 L419 R420 Q421	E413-E417 VanDerWaalsContact O-CB 3.23Å; E413-E417 WeakPolarHBondContact O-CB 3.45Å; E413-E417 PolarHBondContact O-N 3.37Å; E417-L419 VanDerWaalsContact C-N 3.31Å; E417-L419 PolarHBondContact O-N 3.14Å; E417-R420 PolarHBondContact O-N 3.48Å; E417-R420 IonicContact OE1-NH1 2.68Å; E417-R420 PolarHBondContact OE1-NH1 3.22Å; E417-R420 IonicContact OE2-CZ 2.68Å; E417-R420 IonicContact OE2-NH1 2.67Å; E417-R420 PolarHBondContact OE2-NH1 3.47Å; E417-R420 IonicContact OE2-NH2 3.56Å; E417-Q421 WeakPolarHBondContact O-CG 3.22Å; E417-Q421 PolarHBondContact O-N 3.39Å; E417-Q421 PolarHBondContact OE1-NE2 3.46Å
418	T	91.8	Very high	89.7	Confident	70 Å²	70	96 Å²	96	43%	0.429	46%	0.462	S	S	.	.	H	α-helix	trans	-60.5	-41.2	175.7	-57.1	0	0	0	0	111.4	A414 L415 Q421 R422	A414-T418 WeakPolarHBondContact O-CB 3.29Å; A414-T418 PolarHBondContact O-N 3.26Å; A414-T418 PolarHBondContact O-OG1 2.94Å; L415-T418 PolarHBondContact O-N 3.02Å; T418-Q421 PolarHBondContact O-N 3.16Å; T418-R422 WeakPolarHBondContact O-CG 3.22Å; T418-R422 PolarHBondContact O-N 3.3Å
419	L	90.6	Very high	89.8	Confident	103 Å²	103	95.4 Å²	95.4	54%	0.539	46%	0.459	S	S	.	.	H	α-helix	trans	-63.8	-44.1	177.3	179.3	62.1	0	0	0	111.2	L415 E416 E417 Q421 R422 L423	L415-L419 VanDerWaalsContact O-CB 3.3Å; L415-L419 WeakPolarHBondContact O-CB 3.38Å; L415-L419 PolarHBondContact O-N 3.37Å; E416-L419 PolarHBondContact O-N 2.89Å; E417-L419 VanDerWaalsContact C-N 3.31Å; E417-L419 PolarHBondContact O-N 3.14Å; L419-Q421 VanDerWaalsContact C-N 3.33Å; L419-Q421 PolarHBondContact O-N 2.86Å; L419-R422 PolarHBondContact O-N 2.83Å; L419-L423 HydrophobicContact CD1-CD1 4.35Å; L419-L423 HydrophobicContact CD1-CG 4.37Å; L419-L423 HydrophobicContact CG-CD1 4.08Å; L419-L423 WeakPolarHBondContact O-CG 3.34Å; L419-L423 PolarHBondContact O-N 3.4Å
420	R	89	Confident	89.9	Confident	138 Å²	138	88.5 Å²	88.5	52%	0.521	43%	0.433	S	S	.	.	H	α-helix	trans	-61.4	-42.3	176.8	-155.9	-175.8	-46.6	105.9	5.5	111.5	E416 E417 L423 E424	E416-R420 WeakPolarHBondContact O-CB 3.44Å; E416-R420 PolarHBondContact O-N 2.72Å; E417-R420 PolarHBondContact O-N 3.48Å; E417-R420 IonicContact OE1-NH1 2.68Å; E417-R420 PolarHBondContact OE1-NH1 3.22Å; E417-R420 IonicContact OE2-CZ 2.68Å; E417-R420 IonicContact OE2-NH1 2.67Å; E417-R420 PolarHBondContact OE2-NH1 3.47Å; E417-R420 IonicContact OE2-NH2 3.56Å; R420-L423 PolarHBondContact O-N 3.19Å; R420-E424 PolarHBondContact O-N 3.03Å
421	Q	92.3	Very high	89.6	Confident	106 Å²	106	88.5 Å²	88.5	50%	0.495	43%	0.425	S	S	.	.	H	α-helix	trans	-63.3	-40.3	174.9	-69	171.5	19	0	0	112.2	E417 T418 L419 E424 E425	E417-Q421 WeakPolarHBondContact O-CG 3.22Å; E417-Q421 PolarHBondContact O-N 3.39Å; E417-Q421 PolarHBondContact OE1-NE2 3.46Å; T418-Q421 PolarHBondContact O-N 3.16Å; L419-Q421 VanDerWaalsContact C-N 3.33Å; L419-Q421 PolarHBondContact O-N 2.86Å; Q421-E424 PolarHBondContact O-N 3.01Å; Q421-E425 WeakPolarHBondContact O-CB 3.3Å; Q421-E425 WeakPolarHBondContact O-CG 3.26Å; Q421-E425 PolarHBondContact O-N 3.12Å
422	R	91.8	Very high	89.3	Confident	151 Å²	151	86.7 Å²	86.7	57%	0.57	42%	0.419	S	S	*	.	H	α-helix	trans	-68.6	-33.7	174.1	-67.8	-52.4	-172.3	-176.1	-4.9	113.5	T418 L419 E425 L426	T418-R422 WeakPolarHBondContact O-CG 3.22Å; T418-R422 PolarHBondContact O-N 3.3Å; L419-R422 PolarHBondContact O-N 2.83Å; R422-E425 WeakPolarHBondContact CD-OE2 3.32Å; R422-E425 IonicContact CZ-OE2 3.86Å; R422-E425 IonicContact NE-OE2 3.77Å; R422-E425 VanDerWaalsContact NH1-CD 3.32Å; R422-E425 IonicContact NH1-OE1 2.64Å; R422-E425 PolarHBondContact NH1-OE1 3.39Å; R422-E425 VanDerWaalsContact NH1-OE1 3.16Å; R422-E425 IonicContact NH1-OE2 3.66Å; R422-E425 PolarHBondContact NH1-OE2 3.21Å; R422-L426 WeakPolarHBondContact O-CB 3.19Å; R422-L426 PolarHBondContact O-N 3.11Å
423	L	87.4	Confident	88.9	Confident	70 Å²	70	86.1 Å²	86.1	37%	0.366	42%	0.416	S	S	.	.	H	α-helix	trans	-69.4	-37.9	173.9	-71.8	169.4	0	0	0	111.4	L419 R420 L426 K427 P445	L419-L423 HydrophobicContact CD1-CD1 4.35Å; L419-L423 HydrophobicContact CD1-CG 4.37Å; L419-L423 HydrophobicContact CG-CD1 4.08Å; L419-L423 WeakPolarHBondContact O-CG 3.34Å; L419-L423 PolarHBondContact O-N 3.4Å; R420-L423 PolarHBondContact O-N 3.19Å; L423-L426 WeakPolarHBondContact O-CB 3.39Å; L423-L426 PolarHBondContact O-N 3.3Å; L423-K427 PolarHBondContact O-N 3.1Å; L423-P445 HydrophobicContact CD2-CB 4.2Å; L423-P445 HydrophobicContact CD2-CG 3.82Å
424	E	87.8	Confident	88.5	Confident	120 Å²	120	80.5 Å²	80.5	56%	0.561	39%	0.39	S	S	*	.	H	α-helix	trans	-71	-41.1	175.3	-168.2	55.5	-138	0	0	112.1	R420 Q421 L426 K427 S428	R420-E424 PolarHBondContact O-N 3.03Å; Q421-E424 PolarHBondContact O-N 3.01Å; E424-L426 PolarHBondContact O-N 3.45Å; E424-K427 PolarHBondContact O-N 3.48Å; E424-S428 WeakPolarHBondContact O-CB 3.37Å; E424-S428 PolarHBondContact O-N 2.91Å
425	E	89.6	Confident	88.1	Confident	91 Å²	91	80.3 Å²	80.3	43%	0.425	38%	0.38	S	S	.	.	H	α-helix	trans	-53.2	-45.2	167.6	-79	179.2	170.2	0	0	110.8	Q421 R422 S428 I429	Q421-E425 WeakPolarHBondContact O-CB 3.3Å; Q421-E425 WeakPolarHBondContact O-CG 3.26Å; Q421-E425 PolarHBondContact O-N 3.12Å; R422-E425 WeakPolarHBondContact CD-OE2 3.32Å; R422-E425 IonicContact CZ-OE2 3.86Å; R422-E425 IonicContact NE-OE2 3.77Å; R422-E425 VanDerWaalsContact NH1-CD 3.32Å; R422-E425 IonicContact NH1-OE1 2.64Å; R422-E425 PolarHBondContact NH1-OE1 3.39Å; R422-E425 VanDerWaalsContact NH1-OE1 3.16Å; R422-E425 IonicContact NH1-OE2 3.66Å; R422-E425 PolarHBondContact NH1-OE2 3.21Å; E425-S428 WeakPolarHBondContact O-CB 3.44Å; E425-S428 PolarHBondContact O-N 3.39Å; E425-S428 PolarHBondContact O-OG 2.97Å; E425-I429 VanDerWaalsContact O-CG1 3.25Å; E425-I429 WeakPolarHBondContact O-CG1 3.42Å; E425-I429 PolarHBondContact O-N 3.21Å
426	L	88	Confident	87.3	Confident	60 Å²	60	80.7 Å²	80.7	31%	0.314	38%	0.382	S	S	.	.	H	α-helix	trans	-67.2	-47.2	178.2	-176.6	61	0	0	0	112.8	R422 L423 E424 S428 I429 C430 P445	R422-L426 WeakPolarHBondContact O-CB 3.19Å; R422-L426 PolarHBondContact O-N 3.11Å; L423-L426 WeakPolarHBondContact O-CB 3.39Å; L423-L426 PolarHBondContact O-N 3.3Å; E424-L426 PolarHBondContact O-N 3.45Å; L426-S428 PolarHBondContact O-N 2.98Å; L426-I429 PolarHBondContact O-N 2.93Å; L426-C430 PolarHBondContact O-N 3.19Å; L426-P445 HydrophobicContact CD2-CG 3.85Å; L426-P445 HydrophobicContact CG-CG 4.26Å
427	K	88.4	Confident	86.7	Confident	20 Å²	20	80.1 Å²	80.1	9%	0.087	38%	0.384	C	S	.	.	H	α-helix	trans	-52.2	-44.6	171.7	-73.6	-167.7	-173.2	-156.8	0	109.3	L423 E424 I429 I431 Y444 P445 D447 E450	L423-K427 PolarHBondContact O-N 3.1Å; E424-K427 PolarHBondContact O-N 3.48Å; K427-I429 PolarHBondContact O-N 3.33Å; K427-I431 WeakPolarHBondContact O-CB 3.38Å; K427-I431 WeakPolarHBondContact O-CD1 3.49Å; K427-I431 VanDerWaalsContact O-CG1 3.25Å; K427-I431 WeakPolarHBondContact O-CG1 3.35Å; K427-I431 PolarHBondContact O-N 3Å; K427-Y444 HydrophobicContact CB-CD2 4.42Å; K427-Y444 HydrophobicContact CB-CE2 3.72Å; K427-Y444 HydrophobicContact CD-CE2 4.38Å; K427-Y444 HydrophobicContact CG-CD2 4.39Å; K427-Y444 HydrophobicContact CG-CE1 4.49Å; K427-Y444 HydrophobicContact CG-CE2 3.79Å; K427-P445 WeakPolarHBondContact CE-O 3.37Å; K427-P445 HydrophobicContact CG-CB 4.43Å; K427-P445 HydrophobicContact CG-CG 4.28Å; K427-D447 IonicContact NZ-OD2 2.87Å; K427-D447 PolarHBondContact NZ-OD2 2.88Å; K427-E450 IonicContact NZ-OE1 2.69Å; K427-E450 PolarHBondContact NZ-OE1 3.32Å; K427-E450 IonicContact NZ-OE2 2.7Å; K427-E450 PolarHBondContact NZ-OE2 3.41Å
428	S	87.8	Confident	85.8	Confident	44 Å²	44	78 Å²	78	31%	0.308	38%	0.384	S	S	.	.	H	α-helix	trans	-66.2	-32.3	177.1	92.6	0	0	0	0	115.2	E424 E425 L426 R432	E424-S428 WeakPolarHBondContact O-CB 3.37Å; E424-S428 PolarHBondContact O-N 2.91Å; E425-S428 WeakPolarHBondContact O-CB 3.44Å; E425-S428 PolarHBondContact O-N 3.39Å; E425-S428 PolarHBondContact O-OG 2.97Å; L426-S428 PolarHBondContact O-N 2.98Å; S428-R432 WeakPolarHBondContact O-CG 3.24Å; S428-R432 PolarHBondContact O-N 2.86Å; S428-R432 PolarHBondContact O-NE 2.91Å; S428-R432 PolarHBondContact OG-NH2 3.33Å
429	I	87.1	Confident	85.2	Confident	83 Å²	83	82.7 Å²	82.7	43%	0.426	40%	0.399	S	S	.	.	H	α-helix	trans	-74.4	-50.6	178.7	-72.2	162.5	0	0	0	108.8	E425 L426 K427 I431 R432 E433	E425-I429 VanDerWaalsContact O-CG1 3.25Å; E425-I429 WeakPolarHBondContact O-CG1 3.42Å; E425-I429 PolarHBondContact O-N 3.21Å; L426-I429 PolarHBondContact O-N 2.93Å; K427-I429 PolarHBondContact O-N 3.33Å; I429-I431 VanDerWaalsContact C-N 3.3Å; I429-I431 PolarHBondContact O-N 2.86Å; I429-R432 VanDerWaalsContact CG1-NH2 3.31Å; I429-R432 PolarHBondContact O-N 3.09Å; I429-R432 VanDerWaalsContact O-N 3.09Å; I429-E433 PolarHBondContact O-N 3.45Å
430	C	86.8	Confident	84.8	Confident	4 Å²	4	80.3 Å²	80.3	3%	0.027	39%	0.386	C	S	.	.	H	α-helix	trans	-62.9	-34.3	179.8	-68.5	0	0	0	0	112.4	L426 A434 P441 Y444	L426-C430 PolarHBondContact O-N 3.19Å; C430-A434 VanDerWaalsContact O-CB 3.25Å; C430-A434 WeakPolarHBondContact O-CB 3.41Å; C430-A434 PolarHBondContact O-N 2.84Å; C430-P441 HydrophobicContact CB-CB 4.31Å; C430-P441 HydrophobicContact CB-CG 3.95Å; C430-P441 WeakPolarHBondContact O-CD 3.49Å; C430-Y444 HydrophobicContact CB-CD2 3.83Å; C430-Y444 HydrophobicContact CB-CG 4.49Å
431	I	86	Confident	84.4	Confident	54 Å²	54	74.6 Å²	74.6	28%	0.277	37%	0.367	S	S	.	.	H	α-helix	trans	-64.9	-45.5	171.1	-71.7	165.1	0	0	0	111.3	K427 I429 E433 A434 E435 Y444	K427-I431 WeakPolarHBondContact O-CB 3.38Å; K427-I431 WeakPolarHBondContact O-CD1 3.49Å; K427-I431 VanDerWaalsContact O-CG1 3.25Å; K427-I431 WeakPolarHBondContact O-CG1 3.35Å; K427-I431 PolarHBondContact O-N 3Å; I429-I431 VanDerWaalsContact C-N 3.3Å; I429-I431 PolarHBondContact O-N 2.86Å; I431-E433 PolarHBondContact O-N 3.44Å; I431-A434 WeakPolarHBondContact O-CB 3.45Å; I431-A434 PolarHBondContact O-N 3.28Å; I431-E435 WeakPolarHBondContact O-CG 3.36Å; I431-E435 PolarHBondContact O-N 3.49Å; I431-Y444 HydrophobicContact CD1-CE2 3.91Å; I431-Y444 HydrophobicContact CG1-CD2 4.43Å; I431-Y444 HydrophobicContact CG1-CE2 3.83Å
432	R	81.9	Confident	83.7	Confident	133 Å²	133	79.1 Å²	79.1	50%	0.502	39%	0.385	S	S	.	.	H	α-helix	trans	-64.9	-37.7	177.5	-77.7	176.7	-73.4	150.6	-10.7	112.7	S428 I429 E435 L436	S428-R432 WeakPolarHBondContact O-CG 3.24Å; S428-R432 PolarHBondContact O-N 2.86Å; S428-R432 PolarHBondContact O-NE 2.91Å; S428-R432 PolarHBondContact OG-NH2 3.33Å; I429-R432 VanDerWaalsContact CG1-NH2 3.31Å; I429-R432 PolarHBondContact O-N 3.09Å; I429-R432 VanDerWaalsContact O-N 3.09Å; R432-E435 PolarHBondContact O-N 3.33Å; R432-L436 WeakPolarHBondContact O-CG 3.25Å; R432-L436 PolarHBondContact O-N 3.42Å
433	E	82.3	Confident	83.2	Confident	96 Å²	96	78 Å²	78	45%	0.449	39%	0.386	S	S	.	.	H	α-helix	trans	-63.7	-41.7	172	-174.7	175.7	-174.7	0	0	111.3	I429 I431 E435 L436 T437 P441	I429-E433 PolarHBondContact O-N 3.45Å; I431-E433 PolarHBondContact O-N 3.44Å; E433-E435 PolarHBondContact O-N 3.14Å; E433-L436 PolarHBondContact O-N 3.47Å; E433-T437 HydrophobicContact CG-CG2 4.12Å; E433-T437 WeakPolarHBondContact O-CB 3.46Å; E433-T437 WeakPolarHBondContact O-CG2 3.47Å; E433-T437 PolarHBondContact O-N 2.86Å; E433-T437 PolarHBondContact O-OG1 3.28Å; E433-P441 HydrophobicContact CB-CG 4.19Å; E433-P441 HydrophobicContact CG-CG 4.12Å; E433-P441 WeakPolarHBondContact OE2-CG 3.47Å
434	A	84.3	Confident	83	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-66.3	-33.6	175.6	0	0	0	0	0	113.4	C430 I431 L436 G438 K439 L440 V455	C430-A434 VanDerWaalsContact O-CB 3.25Å; C430-A434 WeakPolarHBondContact O-CB 3.41Å; C430-A434 PolarHBondContact O-N 2.84Å; I431-A434 WeakPolarHBondContact O-CB 3.45Å; I431-A434 PolarHBondContact O-N 3.28Å; A434-L436 VanDerWaalsContact C-N 3.26Å; A434-L436 PolarHBondContact O-N 2.97Å; A434-G438 WeakPolarHBondContact O-CA 3.28Å; A434-G438 PolarHBondContact O-N 2.87Å; A434-K439 VanDerWaalsContact CA-O 3.28Å; A434-K439 WeakPolarHBondContact CA-O 3.47Å; A434-K439 VanDerWaalsContact CB-O 3.32Å; A434-K439 WeakPolarHBondContact CB-O 3.37Å; A434-L440 HydrophobicContact CB-CD1 4.06Å; A434-V455 HydrophobicContact CB-CB 3.92Å; A434-V455 HydrophobicContact CB-CG1 3.78Å; A434-V455 HydrophobicContact CB-CG2 3.79Å
435	E	83.2	Confident	82.6	Confident	49 Å²	49	71.5 Å²	71.5	23%	0.229	36%	0.355	C	S	.	.	H	α-helix	trans	-66.2	-27.9	173.2	-74.2	-170.7	148.6	0	0	112.6	I431 R432 E433 V455 R457 K458	I431-E435 WeakPolarHBondContact O-CG 3.36Å; I431-E435 PolarHBondContact O-N 3.49Å; R432-E435 PolarHBondContact O-N 3.33Å; E433-E435 PolarHBondContact O-N 3.14Å; E435-V455 HydrophobicContact CB-CG1 4.33Å; E435-V455 HydrophobicContact CG-CG1 3.68Å; E435-R457 CarbonylContact O-C 3.28Å; E435-R457 VanDerWaalsContact O-CA 3.29Å; E435-R457 WeakPolarHBondContact O-CA 3.21Å; E435-R457 WeakPolarHBondContact O-CG 3.31Å; E435-K458 HydrophobicContact CB-CD 4.42Å; E435-K458 PolarHBondContact O-N 3.29Å; E435-K458 WeakPolarHBondContact OE1-CE 3.46Å; E435-K458 IonicContact OE1-NZ 3.44Å; E435-K458 PolarHBondContact OE1-NZ 3.48Å; E435-K458 WeakPolarHBondContact OE2-CD 3.34Å; E435-K458 WeakPolarHBondContact OE2-CE 3.17Å; E435-K458 IonicContact OE2-NZ 3.06Å; E435-K458 PolarHBondContact OE2-NZ 3.49Å
436	L	75.4	Confident	82.1	Confident	130 Å²	130	71.3 Å²	71.3	68%	0.681	36%	0.357	S	S	*	.	H	α-helix	trans	-86.6	-49.9	178	-66.9	169.2	0	0	0	111.8	R432 E433 A434	R432-L436 WeakPolarHBondContact O-CG 3.25Å; R432-L436 PolarHBondContact O-N 3.42Å; E433-L436 PolarHBondContact O-N 3.47Å; A434-L436 VanDerWaalsContact C-N 3.26Å; A434-L436 PolarHBondContact O-N 2.97Å
437	T	75.7	Confident	81.5	Confident	82 Å²	82	73.1 Å²	73.1	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-81.7	-25.7	-175.4	62	0	0	0	0	113.6	E433 K439	E433-T437 HydrophobicContact CG-CG2 4.12Å; E433-T437 WeakPolarHBondContact O-CB 3.46Å; E433-T437 WeakPolarHBondContact O-CG2 3.47Å; E433-T437 PolarHBondContact O-N 2.86Å; E433-T437 PolarHBondContact O-OG1 3.28Å; T437-K439 PolarHBondContact OG1-N 2.92Å; T437-K439 PolarHBondContact OG1-O 2.91Å
438	G	74.3	Confident	80	Confident	35 Å²	35	79 Å²	79	36%	0.361	41%	0.407	S	S	.	.	S	Bend	trans	79.1	13.8	-172.4	0	0	0	0	0	115	A434	A434-G438 WeakPolarHBondContact O-CA 3.28Å; A434-G438 PolarHBondContact O-N 2.87Å
439	K	78.5	Confident	78.8	Confident	168 Å²	168	80.8 Å²	80.8	73%	0.73	43%	0.433	S	S	*	.	S	Bend	trans	-139.8	139.5	175.8	-65.1	-177.3	-178.8	177.4	0	110.6	A434 T437	A434-K439 VanDerWaalsContact CA-O 3.28Å; A434-K439 WeakPolarHBondContact CA-O 3.47Å; A434-K439 VanDerWaalsContact CB-O 3.32Å; A434-K439 WeakPolarHBondContact CB-O 3.37Å; T437-K439 PolarHBondContact OG1-N 2.92Å; T437-K439 PolarHBondContact OG1-O 2.91Å
440	L	83.2	Confident	78.2	Confident	53 Å²	53	80.7 Å²	80.7	28%	0.277	43%	0.43	S	S	.	.			trans	-72	130	174.9	-165.5	68.4	0	0	0	110.3	A434 Y444 P452 P453 V455	A434-L440 HydrophobicContact CB-CD1 4.06Å; L440-Y444 HydrophobicContact CD1-CD2 3.9Å; L440-Y444 HydrophobicContact CD1-CG 4.06Å; L440-Y444 HydrophobicContact CD2-CD1 4.05Å; L440-Y444 HydrophobicContact CD2-CG 3.96Å; L440-Y444 HydrophobicContact CG-CG 4.18Å; L440-P452 HydrophobicContact CD2-CB 3.78Å; L440-P453 HydrophobicContact CD1-CG 4.28Å; L440-P453 HydrophobicContact CD2-CG 4.15Å; L440-V455 HydrophobicContact CD1-CG2 4.32Å
441	P	81.1	Confident	77.5	Confident	17 Å²	17	88.9 Å²	88.9	11%	0.11	47%	0.468	C	S	.	.			trans	-58.3	151.9	171.3	-26.5	36.4	0	0	0	112.3	C430 E433 E443 Y444	C430-P441 HydrophobicContact CB-CB 4.31Å; C430-P441 HydrophobicContact CB-CG 3.95Å; C430-P441 WeakPolarHBondContact O-CD 3.49Å; E433-P441 HydrophobicContact CB-CG 4.19Å; E433-P441 HydrophobicContact CG-CG 4.12Å; E433-P441 WeakPolarHBondContact OE2-CG 3.47Å; P441-E443 WeakPolarHBondContact CB-OE2 3.43Å; P441-E443 PolarHBondContact O-N 3.02Å; P441-Y444 PolarHBondContact O-N 3.36Å
442	K	76.5	Confident	76.9	Confident	201 Å²	201	89.8 Å²	89.8	87%	0.874	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-14.8	176.6	-65.5	-179.2	178	-179.5	0	112.4	Y444	K442-Y444 VanDerWaalsContact C-N 3.32Å
443	E	81	Confident	76.6	Confident	128 Å²	128	85.7 Å²	85.7	60%	0.598	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-5.3	-177.3	-60.9	67.1	-150	0	0	112	P441 P445	P441-E443 WeakPolarHBondContact CB-OE2 3.43Å; P441-E443 PolarHBondContact O-N 3.02Å; E443-P445 VanDerWaalsContact O-CD 3.28Å; E443-P445 WeakPolarHBondContact O-CD 3.44Å
444	Y	83.4	Confident	76	Confident	25 Å²	25	87.9 Å²	87.9	10%	0.098	49%	0.488	C	S	.	.	S	Bend	trans	-63.9	119	174	-177	-89.6	0	0	0	110.3	K427 C430 I431 L440 P441 K442 L446 P453	K427-Y444 HydrophobicContact CB-CD2 4.42Å; K427-Y444 HydrophobicContact CB-CE2 3.72Å; K427-Y444 HydrophobicContact CD-CE2 4.38Å; K427-Y444 HydrophobicContact CG-CD2 4.39Å; K427-Y444 HydrophobicContact CG-CE1 4.49Å; K427-Y444 HydrophobicContact CG-CE2 3.79Å; C430-Y444 HydrophobicContact CB-CD2 3.83Å; C430-Y444 HydrophobicContact CB-CG 4.49Å; I431-Y444 HydrophobicContact CD1-CE2 3.91Å; I431-Y444 HydrophobicContact CG1-CD2 4.43Å; I431-Y444 HydrophobicContact CG1-CE2 3.83Å; L440-Y444 HydrophobicContact CD1-CD2 3.9Å; L440-Y444 HydrophobicContact CD1-CG 4.06Å; L440-Y444 HydrophobicContact CD2-CD1 4.05Å; L440-Y444 HydrophobicContact CD2-CG 3.96Å; L440-Y444 HydrophobicContact CG-CG 4.18Å; P441-Y444 PolarHBondContact O-N 3.36Å; K442-Y444 VanDerWaalsContact C-N 3.32Å; Y444-L446 HydrophobicContact CD1-CD2 3.76Å; Y444-L446 HydrophobicContact CD1-CG 4.04Å; Y444-L446 HydrophobicContact CE1-CD2 3.67Å; Y444-L446 HydrophobicContact CE1-CG 4.39Å; Y444-L446 PolarHBondContact O-N 3.48Å; Y444-P453 HydrophobicContact CE1-CG 4.06Å; Y444-P453 HydrophobicContact CE2-CG 4.09Å
445	P	81.1	Confident	75.4	Confident	28 Å²	28	89.7 Å²	89.7	18%	0.182	50%	0.499	C	S	.	.			trans	-65.1	124.7	177.3	-20.4	32.7	0	0	0	111.2	L423 L426 K427 E443	L423-P445 HydrophobicContact CD2-CB 4.2Å; L423-P445 HydrophobicContact CD2-CG 3.82Å; L426-P445 HydrophobicContact CD2-CG 3.85Å; L426-P445 HydrophobicContact CG-CG 4.26Å; K427-P445 WeakPolarHBondContact CE-O 3.37Å; K427-P445 HydrophobicContact CG-CB 4.43Å; K427-P445 HydrophobicContact CG-CG 4.28Å; E443-P445 VanDerWaalsContact O-CD 3.28Å; E443-P445 WeakPolarHBondContact O-CD 3.44Å
446	L	78.4	Confident	74.7	Confident	88 Å²	88	98 Å²	98	46%	0.461	53%	0.528	S	S	.	.			trans	-110.9	129.5	169.6	-67.7	169.6	0	0	0	109.1	Y444 E450 P452	Y444-L446 HydrophobicContact CD1-CD2 3.76Å; Y444-L446 HydrophobicContact CD1-CG 4.04Å; Y444-L446 HydrophobicContact CE1-CD2 3.67Å; Y444-L446 HydrophobicContact CE1-CG 4.39Å; Y444-L446 PolarHBondContact O-N 3.48Å; L446-E450 HydrophobicContact CD2-CG 4.46Å; L446-P452 HydrophobicContact CD1-CB 4.39Å; L446-P452 HydrophobicContact CD2-CB 4.16Å
447	D	74.9	Confident	74.6	Confident	97 Å²	97	98.4 Å²	98.4	52%	0.519	52%	0.521	S	S	.	.			trans	-77.7	152.7	172.1	-68.5	-77.4	0	0	0	110.4	K427 G449 E450	K427-D447 IonicContact NZ-OD2 2.87Å; K427-D447 PolarHBondContact NZ-OD2 2.88Å; D447-G449 PolarHBondContact O-N 2.98Å; D447-E450 HydrophobicContact CB-CB 4.35Å; D447-E450 PolarHBondContact N-OE2 3.25Å; D447-E450 VanDerWaalsContact N-OE2 3.09Å; D447-E450 VanDerWaalsContact O-CB 3.28Å; D447-E450 WeakPolarHBondContact O-CB 3.29Å; D447-E450 PolarHBondContact O-N 2.8Å
448	P	56.5	Low	74.2	Confident	144 Å²	144	100.7 Å²	100.7	94%	0.935	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	101.8	-168.7	-25.8	36.3	0	0	0	114.2
449	G	63.1	Low	73.1	Confident	82 Å²	82	105.3 Å²	105.3	85%	0.845	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.7	0.9	-175.7	0	0	0	0	0	114.9	D447	D447-G449 PolarHBondContact O-N 2.98Å
450	E	75.2	Confident	71.9	Confident	80 Å²	80	100.2 Å²	100.2	37%	0.374	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-75.3	125.9	171.7	-169.3	-179.6	-150.1	0	0	110.4	K427 L446 D447	K427-E450 IonicContact NZ-OE1 2.69Å; K427-E450 PolarHBondContact NZ-OE1 3.32Å; K427-E450 IonicContact NZ-OE2 2.7Å; K427-E450 PolarHBondContact NZ-OE2 3.41Å; L446-E450 HydrophobicContact CD2-CG 4.46Å; D447-E450 HydrophobicContact CB-CB 4.35Å; D447-E450 PolarHBondContact N-OE2 3.25Å; D447-E450 VanDerWaalsContact N-OE2 3.09Å; D447-E450 VanDerWaalsContact O-CB 3.28Å; D447-E450 WeakPolarHBondContact O-CB 3.29Å; D447-E450 PolarHBondContact O-N 2.8Å
451	E	71.4	Confident	70.4	Confident	176 Å²	176	105.1 Å²	105.1	82%	0.822	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-78.5	141.4	171.9	-71.3	-163.2	157.6	0	0	111.2
452	P	73.8	Confident	68.5	Low	74 Å²	74	108.7 Å²	108.7	48%	0.481	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-67.1	137.8	-175.6	26	-34.1	0	0	0	112.9	L440 L446 T454	L440-P452 HydrophobicContact CD2-CB 3.78Å; L446-P452 HydrophobicContact CD1-CB 4.39Å; L446-P452 HydrophobicContact CD2-CB 4.16Å; P452-T454 PolarHBondContact O-N 3.37Å
453	P	75.9	Confident	66.8	Low	46 Å²	46	108.9 Å²	108.9	30%	0.299	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-63.6	134	-175.6	24.9	-35.1	0	0	0	112.7	L440 Y444 V455	L440-P453 HydrophobicContact CD1-CG 4.28Å; L440-P453 HydrophobicContact CD2-CG 4.15Å; Y444-P453 HydrophobicContact CE1-CG 4.06Å; Y444-P453 HydrophobicContact CE2-CG 4.09Å; P453-V455 PolarHBondContact O-N 3.47Å
454	T	68.8	Low	64.9	Low	143 Å²	143	112.7 Å²	112.7	88%	0.877	61%	0.613	S	S	*	*			trans	-79.5	100.2	178.6	-63.6	0	0	0	0	111.1	P452	P452-T454 PolarHBondContact O-N 3.37Å
455	V	72.1	Confident	62.9	Low	37 Å²	37	119.4 Å²	119.4	22%	0.224	65%	0.65	C	S	.	*	P	Polyproline II helix	trans	-91.2	133.6	-176	-172.7	0	0	0	0	112.4	A434 E435 L440 P453	A434-V455 HydrophobicContact CB-CB 3.92Å; A434-V455 HydrophobicContact CB-CG1 3.78Å; A434-V455 HydrophobicContact CB-CG2 3.79Å; E435-V455 HydrophobicContact CB-CG1 4.33Å; E435-V455 HydrophobicContact CG-CG1 3.68Å; L440-V455 HydrophobicContact CD1-CG2 4.32Å; P453-V455 PolarHBondContact O-N 3.47Å
456	R	67.6	Low	60.9	Low	223 Å²	223	124.9 Å²	124.9	84%	0.842	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-101.3	128.2	172.5	-77.6	179.8	165.9	176.8	-3.8	110.7	K458	R456-K458 PolarHBondContact O-N 3.41Å
457	R	73.8	Confident	59.4	Low	140 Å²	140	129.2 Å²	129.2	53%	0.528	70%	0.695	S	S	.	*	P	Polyproline II helix	trans	-66	125.2	-178.7	-168.3	175.7	68.8	98.5	-3	112.1	E435 I459	E435-R457 CarbonylContact O-C 3.28Å; E435-R457 VanDerWaalsContact O-CA 3.29Å; E435-R457 WeakPolarHBondContact O-CA 3.21Å; E435-R457 WeakPolarHBondContact O-CG 3.31Å; R457-I459 PolarHBondContact O-N 2.95Å
458	K	66.9	Low	58.1	Low	129 Å²	129	133.5 Å²	133.5	56%	0.561	71%	0.712	S	S	*	*			trans	-82.7	107.7	175.2	-74.3	178.3	-179.2	160	0	110.2	E435 R456 G460	E435-K458 HydrophobicContact CB-CD 4.42Å; E435-K458 PolarHBondContact O-N 3.29Å; E435-K458 WeakPolarHBondContact OE1-CE 3.46Å; E435-K458 IonicContact OE1-NZ 3.44Å; E435-K458 PolarHBondContact OE1-NZ 3.48Å; E435-K458 WeakPolarHBondContact OE2-CD 3.34Å; E435-K458 WeakPolarHBondContact OE2-CE 3.17Å; E435-K458 IonicContact OE2-NZ 3.06Å; E435-K458 PolarHBondContact OE2-NZ 3.49Å; R456-K458 PolarHBondContact O-N 3.41Å; K458-G460 PolarHBondContact O-N 3.07Å; K458-G460 VanDerWaalsContact O-N 3.1Å
459	I	51.8	Low	57.7	Low	133 Å²	133	135.8 Å²	135.8	68%	0.682	71%	0.707	S	S	*	*			trans	-85	82.8	-179.1	-49.6	-178.3	0	0	0	110	R457	R457-I459 PolarHBondContact O-N 2.95Å
460	G	53.7	Low	57.1	Low	61 Å²	61	138.1 Å²	138.1	63%	0.629	70%	0.699	S	S	*	*			trans	-79.7	149.2	164.5	0	0	0	0	0	111.7	K458 A462	K458-G460 PolarHBondContact O-N 3.07Å; K458-G460 VanDerWaalsContact O-N 3.1Å; G460-A462 PolarHBondContact O-N 3.19Å
461	T	51.5	Low	55.5	Low	155 Å²	155	140.8 Å²	140.8	95%	0.951	72%	0.715	S	S	*	*			trans	-74.1	93	176.1	50.1	0	0	0	0	110.9
462	A	40.1	Very low	54.5	Low	92 Å²	92	136.3 Å²	136.3	76%	0.76	70%	0.702	S	S	*	*			trans	-112.8	143.4	176.2	0	0	0	0	0	111.5	G460	G460-A462 PolarHBondContact O-N 3.19Å
463	F	41.6	Very low	53.7	Low	205 Å²	205	140 Å²	140	90%	0.899	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-70.1	148.6	177.3	-80.6	-112.7	0	0	0	111.1	L465	F463-L465 PolarHBondContact O-N 2.9Å
464	K	42	Very low	52.8	Low	209 Å²	209	140.5 Å²	140.5	91%	0.909	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-65	125.5	168.7	-74.4	-171.7	173.5	-171.4	0	110.1
465	L	40.4	Very low	52.2	Low	166 Å²	166	138.2 Å²	138.2	87%	0.869	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-101.7	130.4	160.6	-94.5	154.2	0	0	0	107.5	F463 E467	F463-L465 PolarHBondContact O-N 2.9Å; L465-E467 PolarHBondContact O-N 2.71Å
466	D	39.1	Very low	51.7	Low	143 Å²	143	142 Å²	142	77%	0.765	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-72.2	126.5	179.9	-90.3	-45	0	0	0	111.6	Q468	D466-Q468 PolarHBondContact O-N 2.92Å
467	E	47.3	Very low	51.9	Low	178 Å²	178	137.6 Å²	137.6	83%	0.832	71%	0.708	S	S	*	*	S	Bend	trans	-73	-10.3	-176	-62.7	179.2	122.7	0	0	113.1	L465 K469	L465-E467 PolarHBondContact O-N 2.71Å; E467-K469 PolarHBondContact O-N 3.34Å
468	Q	46.5	Very low	52.1	Low	187 Å²	187	133.4 Å²	133.4	87%	0.874	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	26.2	-174.9	-62.9	-168.1	-12.4	0	0	115.4	D466	D466-Q468 PolarHBondContact O-N 2.92Å
469	K	48.2	Very low	52.7	Low	192 Å²	192	128.2 Å²	128.2	84%	0.835	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.8	7	175.8	-77.8	-169.7	175.3	178.5	0	115.9	E467 L471	E467-K469 PolarHBondContact O-N 3.34Å; K469-L471 PolarHBondContact O-N 2.95Å
470	I	50.9	Low	54.2	Low	131 Å²	131	127.3 Å²	127.3	67%	0.672	67%	0.665	S	S	*	*			trans	-104.5	64.2	-175.1	-45.9	-177	0	0	0	112.4
471	L	42.6	Very low	55.8	Low	136 Å²	136	130.9 Å²	130.9	71%	0.712	66%	0.66	S	S	*	*			trans	-157.5	132.1	152.8	-119.7	113.4	0	0	0	107	K469 K473	K469-L471 PolarHBondContact O-N 2.95Å; L471-K473 HydrophobicContact CD1-CD 4.49Å; L471-K473 HydrophobicContact CG-CB 4.41Å; L471-K473 HydrophobicContact CG-CG 4.19Å
472	P	50.6	Low	57.6	Low	82 Å²	82	124.3 Å²	124.3	53%	0.532	62%	0.619	S	S	.	*				-126.2	107.8	69.5	35.8	-25.1	0	0	0	113.7	G474 E475	P472-G474 PolarHBondContact O-N 2.92Å; P472-E475 PolarHBondContact O-N 3.07Å
473	K	56.2	Low	59.9	Low	151 Å²	151	123.4 Å²	123.4	66%	0.657	60%	0.599	S	S	*	*	H	α-helix	trans	-64.2	-7.3	-174.9	-83.1	-176	173.5	-174.2	0	116.6	L471	L471-K473 HydrophobicContact CD1-CD 4.49Å; L471-K473 HydrophobicContact CG-CB 4.41Å; L471-K473 HydrophobicContact CG-CG 4.19Å
474	G	57.2	Low	62.1	Low	58 Å²	58	120.2 Å²	120.2	60%	0.598	58%	0.581	S	S	*	*	H	α-helix	trans	-87.7	-33.1	178.6	0	0	0	0	0	115	P472	P472-G474 PolarHBondContact O-N 2.92Å
475	E	56.9	Low	64.3	Low	95 Å²	95	113.5 Å²	113.5	44%	0.444	55%	0.553	S	S	.	*	H	α-helix	trans	-85.6	-28	-176.9	-60.9	-163.9	148.7	0	0	112.6	P472 L479	P472-E475 PolarHBondContact O-N 3.07Å; E475-L479 WeakPolarHBondContact O-CB 3.34Å; E475-L479 PolarHBondContact O-N 3.29Å
476	E	61.5	Low	66.8	Low	115 Å²	115	106.6 Å²	106.6	54%	0.537	52%	0.516	S	S	.	.	H	α-helix	trans	-72.5	-40.3	178.4	-166.2	153.2	-125.9	0	0	111.8	E478 L479 E480	E476-E478 PolarHBondContact O-N 3.07Å; E476-L479 PolarHBondContact O-N 3.32Å; E476-E480 PolarHBondContact O-N 3.12Å
477	E	71.4	Confident	69.2	Low	132 Å²	132	102.3 Å²	102.3	62%	0.617	50%	0.5	S	S	*	.	H	α-helix	trans	-63.9	-38.9	174.7	-174.6	177	-174.6	0	0	112.3	E480 R481	E477-E480 PolarHBondContact O-N 3.34Å; E477-R481 VanDerWaalsContact O-CB 3.31Å; E477-R481 WeakPolarHBondContact O-CB 3.41Å; E477-R481 PolarHBondContact O-N 2.84Å
478	E	77.3	Confident	71.2	Confident	52 Å²	52	98.1 Å²	98.1	24%	0.243	48%	0.482	C	S	.	.	H	α-helix	trans	-69.3	-36.4	175.7	-177.9	61.5	-176.5	0	0	111.8	E476 R481 L482 Y535	E476-E478 PolarHBondContact O-N 3.07Å; E478-R481 PolarHBondContact O-N 3.35Å; E478-R481 IonicContact OE1-CZ 3.94Å; E478-R481 IonicContact OE1-NH1 2.71Å; E478-R481 PolarHBondContact OE1-NH1 2.67Å; E478-R481 IonicContact OE2-CZ 3.41Å; E478-R481 IonicContact OE2-NH1 3.5Å; E478-R481 PolarHBondContact OE2-NH1 2.9Å; E478-L482 HydrophobicContact CG-CD1 4.36Å; E478-L482 WeakPolarHBondContact O-CB 3.36Å; E478-L482 WeakPolarHBondContact O-CG 3.3Å; E478-L482 PolarHBondContact O-N 3.46Å; E478-Y535 HydrophobicContact CG-CE2 4.22Å
479	L	80.6	Confident	73.4	Confident	20 Å²	20	89.6 Å²	89.6	11%	0.105	44%	0.442	C	S	.	.	H	α-helix	trans	-64.3	-46.1	172.1	-178.8	61	0	0	0	111.5	E475 E476 R481 L482 E483 I532	E475-L479 WeakPolarHBondContact O-CB 3.34Å; E475-L479 PolarHBondContact O-N 3.29Å; E476-L479 PolarHBondContact O-N 3.32Å; L479-R481 VanDerWaalsContact C-N 3.29Å; L479-R481 PolarHBondContact O-N 3.2Å; L479-L482 PolarHBondContact O-N 2.83Å; L479-E483 HydrophobicContact CD1-CG 4.42Å; L479-E483 PolarHBondContact O-N 2.72Å; L479-I532 HydrophobicContact CD1-CG2 4.13Å
480	E	81.9	Confident	75.4	Confident	114 Å²	114	82.3 Å²	82.3	53%	0.533	42%	0.415	S	S	.	.	H	α-helix	trans	-62.4	-35.1	174	-74.7	-169.5	172.8	0	0	112.6	E476 E477 R484	E476-E480 PolarHBondContact O-N 3.12Å; E477-E480 PolarHBondContact O-N 3.34Å; E480-R484 WeakPolarHBondContact O-CB 3.21Å; E480-R484 VanDerWaalsContact O-CG 3.28Å; E480-R484 WeakPolarHBondContact O-CG 3.43Å; E480-R484 PolarHBondContact O-N 3.39Å; E480-R484 PolarHBondContact O-NE 2.64Å
481	R	88.9	Confident	77.3	Confident	136 Å²	136	83.1 Å²	83.1	51%	0.513	42%	0.417	S	S	.	.	H	α-helix	trans	-65.6	-43.6	173.7	175.6	176.7	155.6	-102.5	-22.9	110.9	E477 E478 L479 R484 E485	E477-R481 VanDerWaalsContact O-CB 3.31Å; E477-R481 WeakPolarHBondContact O-CB 3.41Å; E477-R481 PolarHBondContact O-N 2.84Å; E478-R481 PolarHBondContact O-N 3.35Å; E478-R481 IonicContact OE1-CZ 3.94Å; E478-R481 IonicContact OE1-NH1 2.71Å; E478-R481 PolarHBondContact OE1-NH1 2.67Å; E478-R481 IonicContact OE2-CZ 3.41Å; E478-R481 IonicContact OE2-NH1 3.5Å; E478-R481 PolarHBondContact OE2-NH1 2.9Å; L479-R481 VanDerWaalsContact C-N 3.29Å; L479-R481 PolarHBondContact O-N 3.2Å; R481-R484 PolarHBondContact O-N 3.36Å; R481-E485 WeakPolarHBondContact O-CB 3.5Å; R481-E485 PolarHBondContact O-N 3.08Å
482	L	89.1	Confident	79.5	Confident	17 Å²	17	80.8 Å²	80.8	9%	0.089	40%	0.404	C	S	.	.	H	α-helix	trans	-67.4	-40.6	176.7	-72.7	169.6	0	0	0	112.4	E478 L479 R484 E485 F486 I528 I532 Y535	E478-L482 HydrophobicContact CG-CD1 4.36Å; E478-L482 WeakPolarHBondContact O-CB 3.36Å; E478-L482 WeakPolarHBondContact O-CG 3.3Å; E478-L482 PolarHBondContact O-N 3.46Å; L479-L482 PolarHBondContact O-N 2.83Å; L482-R484 VanDerWaalsContact C-N 3.34Å; L482-R484 PolarHBondContact O-N 3.21Å; L482-E485 PolarHBondContact O-N 2.85Å; L482-F486 WeakPolarHBondContact O-CB 3.41Å; L482-F486 PolarHBondContact O-N 3.16Å; L482-I528 HydrophobicContact CD2-CG2 4.45Å; L482-I532 HydrophobicContact CB-CD1 4.35Å; L482-I532 HydrophobicContact CB-CG1 3.72Å; L482-Y535 HydrophobicContact CD1-CD2 3.67Å; L482-Y535 HydrophobicContact CD1-CE2 3.63Å
483	E	87.2	Confident	81.5	Confident	72 Å²	72	77 Å²	77	34%	0.336	38%	0.379	S	S	.	.	H	α-helix	trans	-65.3	-35.5	175.5	-70.1	-160.2	160.5	0	0	112	L479 F486 A487 I532	L479-E483 HydrophobicContact CD1-CG 4.42Å; L479-E483 PolarHBondContact O-N 2.72Å; E483-F486 PolarHBondContact O-N 2.91Å; E483-A487 PolarHBondContact O-N 3.03Å; E483-A487 VanDerWaalsContact O-N 3.07Å; E483-I532 HydrophobicContact CG-CD1 4.11Å; E483-I532 HydrophobicContact CG-CG1 4.43Å
484	R	87.6	Confident	83.1	Confident	138 Å²	138	72.5 Å²	72.5	52%	0.521	36%	0.361	S	S	.	.	H	α-helix	trans	-65.6	-46	170.6	-76	175.8	-72.9	177.2	-4.6	112.6	E480 R481 L482 F486 A487 I488	E480-R484 WeakPolarHBondContact O-CB 3.21Å; E480-R484 VanDerWaalsContact O-CG 3.28Å; E480-R484 WeakPolarHBondContact O-CG 3.43Å; E480-R484 PolarHBondContact O-N 3.39Å; E480-R484 PolarHBondContact O-NE 2.64Å; R481-R484 PolarHBondContact O-N 3.36Å; L482-R484 VanDerWaalsContact C-N 3.34Å; L482-R484 PolarHBondContact O-N 3.21Å; R484-F486 VanDerWaalsContact C-N 3.29Å; R484-F486 PolarHBondContact O-N 3.24Å; R484-A487 PolarHBondContact O-N 3.07Å; R484-I488 WeakPolarHBondContact O-CG1 3.3Å; R484-I488 PolarHBondContact O-N 3.45Å; R484-I488 VanDerWaalsContact O-N 3.08Å
485	E	88.6	Confident	84.6	Confident	69 Å²	69	72 Å²	72	32%	0.322	35%	0.351	S	S	.	.	H	α-helix	trans	-63.4	-34.8	176.1	179.5	63.5	-166.2	0	0	111.6	R481 L482 I488 Q489 K524 I528	R481-E485 WeakPolarHBondContact O-CB 3.5Å; R481-E485 PolarHBondContact O-N 3.08Å; L482-E485 PolarHBondContact O-N 2.85Å; E485-I488 PolarHBondContact O-N 3.07Å; E485-Q489 VanDerWaalsContact O-CB 3.23Å; E485-Q489 WeakPolarHBondContact O-CB 3.49Å; E485-Q489 PolarHBondContact O-N 3.4Å; E485-K524 IonicContact OE1-NZ 3.16Å; E485-K524 PolarHBondContact OE1-NZ 3.14Å; E485-I528 HydrophobicContact CG-CD1 3.82Å; E485-I528 HydrophobicContact CG-CG1 4.32Å
486	F	93.4	Very high	86.1	Confident	21 Å²	21	68.1 Å²	68.1	9%	0.092	34%	0.335	C	S	.	.	H	α-helix	trans	-64.1	-45.7	173	-176.5	-94.9	0	0	0	112	L482 E483 R484 I488 Q489 S490 L525 I528 E529 I532 R546 A547	L482-F486 WeakPolarHBondContact O-CB 3.41Å; L482-F486 PolarHBondContact O-N 3.16Å; E483-F486 PolarHBondContact O-N 2.91Å; R484-F486 VanDerWaalsContact C-N 3.29Å; R484-F486 PolarHBondContact O-N 3.24Å; F486-I488 VanDerWaalsContact C-N 3.34Å; F486-I488 PolarHBondContact O-N 2.63Å; F486-Q489 PolarHBondContact O-N 2.79Å; F486-S490 VanDerWaalsContact O-CB 3.29Å; F486-S490 WeakPolarHBondContact O-CB 3.25Å; F486-S490 PolarHBondContact O-N 3.19Å; F486-L525 HydrophobicContact CD2-CD1 3.57Å; F486-L525 HydrophobicContact CD2-CG 4.36Å; F486-L525 HydrophobicContact CE2-CD1 3.39Å; F486-L525 HydrophobicContact CE2-CG 3.78Å; F486-L525 HydrophobicContact CG-CD1 4.22Å; F486-L525 HydrophobicContact CZ-CD1 3.93Å; F486-L525 HydrophobicContact CZ-CG 4.31Å; F486-I528 HydrophobicContact CB-CG2 3.79Å; F486-I528 HydrophobicContact CD2-CB 4.4Å; F486-I528 HydrophobicContact CD2-CG2 4.2Å; F486-E529 HydrophobicContact CD2-CB 4.22Å; F486-E529 HydrophobicContact CE2-CB 3.8Å; F486-I532 HydrophobicContact CB-CD1 3.74Å; F486-I532 HydrophobicContact CD2-CD1 4.31Å; F486-I532 HydrophobicContact CG-CD1 4.11Å; F486-R546 HydrophobicContact CE1-CB 4.22Å; F486-R546 HydrophobicContact CZ-CB 3.81Å; F486-A547 HydrophobicContact CE2-CB 4.23Å
487	A	89.2	Confident	87.5	Confident	52 Å²	52	67.5 Å²	67.5	43%	0.43	33%	0.328	S	S	.	.	H	α-helix	trans	-60.7	-42.8	177.2	0	0	0	0	0	112	E483 R484 S490 Q491	E483-A487 PolarHBondContact O-N 3.03Å; E483-A487 VanDerWaalsContact O-N 3.07Å; R484-A487 PolarHBondContact O-N 3.07Å; A487-S490 PolarHBondContact O-N 2.95Å; A487-Q491 PolarHBondContact O-N 3.29Å
488	I	89.9	Confident	88.4	Confident	90 Å²	90	68.9 Å²	68.9	46%	0.462	33%	0.327	S	S	.	.	H	α-helix	trans	-66.9	-47.8	176.3	-65.7	166.5	0	0	0	110.9	R484 E485 F486 S490 Q491 I492	R484-I488 WeakPolarHBondContact O-CG1 3.3Å; R484-I488 PolarHBondContact O-N 3.45Å; R484-I488 VanDerWaalsContact O-N 3.08Å; E485-I488 PolarHBondContact O-N 3.07Å; F486-I488 VanDerWaalsContact C-N 3.34Å; F486-I488 PolarHBondContact O-N 2.63Å; I488-S490 VanDerWaalsContact C-N 3.25Å; I488-S490 PolarHBondContact O-N 3.44Å; I488-Q491 PolarHBondContact O-N 3.37Å; I488-I492 HydrophobicContact CG2-CD1 3.91Å; I488-I492 WeakPolarHBondContact O-CG1 3.23Å; I488-I492 PolarHBondContact O-N 3.33Å
489	Q	93	Very high	88.7	Confident	8 Å²	8	70.8 Å²	70.8	4%	0.037	34%	0.338	C	S	.	.	H	α-helix	trans	-63.6	-31.8	178.9	-175.9	61.7	37.2	0	0	112	E485 F486 I492 T493 A521 K524 L525 I528	E485-Q489 VanDerWaalsContact O-CB 3.23Å; E485-Q489 WeakPolarHBondContact O-CB 3.49Å; E485-Q489 PolarHBondContact O-N 3.4Å; F486-Q489 PolarHBondContact O-N 2.79Å; Q489-I492 PolarHBondContact O-N 3.24Å; Q489-T493 PolarHBondContact NE2-OG1 3.41Å; Q489-T493 WeakPolarHBondContact O-CB 3.47Å; Q489-T493 PolarHBondContact O-N 3.24Å; Q489-T493 PolarHBondContact O-OG1 3.35Å; Q489-A521 PolarHBondContact NE2-O 3.29Å; Q489-K524 HydrophobicContact CG-CB 4.46Å; Q489-K524 HydrophobicContact CG-CG 4.16Å; Q489-L525 HydrophobicContact CB-CD1 3.98Å; Q489-L525 HydrophobicContact CG-CB 3.97Å; Q489-L525 HydrophobicContact CG-CD1 3.9Å; Q489-I528 HydrophobicContact CB-CD1 3.65Å; Q489-I528 HydrophobicContact CG-CD1 3.77Å
490	S	90.1	Very high	89	Confident	39 Å²	39	70.7 Å²	70.7	27%	0.273	34%	0.341	S	S	.	.	H	α-helix	trans	-63	-48.3	174.5	-177.5	0	0	0	0	111	F486 A487 I488 I492 T493 E494	F486-S490 VanDerWaalsContact O-CB 3.29Å; F486-S490 WeakPolarHBondContact O-CB 3.25Å; F486-S490 PolarHBondContact O-N 3.19Å; A487-S490 PolarHBondContact O-N 2.95Å; I488-S490 VanDerWaalsContact C-N 3.25Å; I488-S490 PolarHBondContact O-N 3.44Å; S490-I492 VanDerWaalsContact C-N 3.35Å; S490-I492 PolarHBondContact O-N 3.24Å; S490-T493 WeakPolarHBondContact O-CB 3.33Å; S490-T493 PolarHBondContact O-N 2.9Å; S490-T493 VanDerWaalsContact O-N 3.1Å; S490-E494 PolarHBondContact O-N 2.79Å
491	Q	89.9	Confident	89	Confident	149 Å²	149	69 Å²	69	70%	0.696	34%	0.342	S	S	*	.	H	α-helix	trans	-61.4	-40	174.6	-66.5	-176.8	7.8	0	0	112.7	A487 I488 T493 E494 A495	A487-Q491 PolarHBondContact O-N 3.29Å; I488-Q491 PolarHBondContact O-N 3.37Å; Q491-T493 VanDerWaalsContact C-N 3.3Å; Q491-T493 PolarHBondContact O-N 3.47Å; Q491-E494 PolarHBondContact O-N 3.41Å; Q491-A495 WeakPolarHBondContact O-CB 3.29Å; Q491-A495 PolarHBondContact O-N 3.34Å
492	I	88.9	Confident	88.8	Confident	87 Å²	87	64.5 Å²	64.5	45%	0.446	33%	0.328	S	S	.	.	H	α-helix	trans	-62	-39.8	174.2	-68.7	169	0	0	0	111	I488 Q489 S490 A496	I488-I492 HydrophobicContact CG2-CD1 3.91Å; I488-I492 WeakPolarHBondContact O-CG1 3.23Å; I488-I492 PolarHBondContact O-N 3.33Å; Q489-I492 PolarHBondContact O-N 3.24Å; S490-I492 VanDerWaalsContact C-N 3.35Å; S490-I492 PolarHBondContact O-N 3.24Å; I492-A496 VanDerWaalsContact O-CB 3.29Å; I492-A496 WeakPolarHBondContact O-CB 3.33Å; I492-A496 PolarHBondContact O-N 3.07Å
493	T	92.4	Very high	88.3	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.018	36%	0.357	C	S	.	.	H	α-helix	trans	-70.6	-41.3	-179.1	-56.9	0	0	0	0	111.5	Q489 S490 Q491 A496 R497 Y518 A521 L522 L525	Q489-T493 PolarHBondContact NE2-OG1 3.41Å; Q489-T493 WeakPolarHBondContact O-CB 3.47Å; Q489-T493 PolarHBondContact O-N 3.24Å; Q489-T493 PolarHBondContact O-OG1 3.35Å; S490-T493 WeakPolarHBondContact O-CB 3.33Å; S490-T493 PolarHBondContact O-N 2.9Å; S490-T493 VanDerWaalsContact O-N 3.1Å; Q491-T493 VanDerWaalsContact C-N 3.3Å; Q491-T493 PolarHBondContact O-N 3.47Å; T493-A496 PolarHBondContact O-N 2.88Å; T493-R497 PolarHBondContact O-N 3.02Å; T493-Y518 HydrophobicContact CG2-CD2 4.28Å; T493-Y518 HydrophobicContact CG2-CE2 3.94Å; T493-A521 HydrophobicContact CG2-CB 4.23Å; T493-A521 PolarHBondContact OG1-O 3.16Å; T493-L522 HydrophobicContact CG2-CB 4.45Å; T493-L522 HydrophobicContact CG2-CD2 3.61Å; T493-L522 HydrophobicContact CG2-CG 3.77Å; T493-L525 HydrophobicContact CG2-CD2 4.26Å
494	E	89.7	Confident	87.8	Confident	56 Å²	56	73.4 Å²	73.4	26%	0.262	38%	0.378	S	S	.	.	H	α-helix	trans	-65.7	-41.7	173.3	171.1	58.3	-177.2	0	0	112.3	S490 Q491 A496 R497 R498	S490-E494 PolarHBondContact O-N 2.79Å; Q491-E494 PolarHBondContact O-N 3.41Å; E494-A496 VanDerWaalsContact C-N 3.34Å; E494-A496 PolarHBondContact O-N 2.97Å; E494-R497 VanDerWaalsContact CD-NH2 3.3Å; E494-R497 WeakPolarHBondContact O-CB 3.38Å; E494-R497 PolarHBondContact O-N 2.63Å; E494-R497 IonicContact OE1-CZ 3.95Å; E494-R497 IonicContact OE1-NH2 2.93Å; E494-R497 PolarHBondContact OE1-NH2 3.49Å; E494-R497 IonicContact OE2-CZ 3.21Å; E494-R497 IonicContact OE2-NE 2.72Å; E494-R497 PolarHBondContact OE2-NE 2.87Å; E494-R497 IonicContact OE2-NH2 3.16Å; E494-R497 PolarHBondContact OE2-NH2 3.43Å; E494-R498 WeakPolarHBondContact O-CG 3.33Å; E494-R498 PolarHBondContact O-N 3.4Å; E494-R498 IonicContact OE1-CZ 3.56Å; E494-R498 IonicContact OE1-NE 2.86Å; E494-R498 PolarHBondContact OE1-NE 3.46Å; E494-R498 IonicContact OE1-NH2 2.59Å; E494-R498 PolarHBondContact OE1-NH2 3.04Å
495	A	88.3	Confident	87.3	Confident	48 Å²	48	67.8 Å²	67.8	40%	0.397	36%	0.359	S	S	.	.	H	α-helix	trans	-62.8	-40.9	173	0	0	0	0	0	111.7	Q491 R497 R498 L499	Q491-A495 WeakPolarHBondContact O-CB 3.29Å; Q491-A495 PolarHBondContact O-N 3.34Å; A495-R497 VanDerWaalsContact C-N 3.35Å; A495-R498 PolarHBondContact O-N 3.1Å; A495-L499 WeakPolarHBondContact O-CB 3.39Å; A495-L499 VanDerWaalsContact O-CG 3.32Å; A495-L499 WeakPolarHBondContact O-CG 3.47Å; A495-L499 PolarHBondContact O-N 2.78Å
496	A	89.6	Confident	86.5	Confident	12 Å²	12	70.3 Å²	70.3	10%	0.099	38%	0.384	C	S	.	.	H	α-helix	trans	-65.7	-35.5	174.8	0	0	0	0	0	112.4	I492 T493 E494 L499 A500 Y518 A521	I492-A496 VanDerWaalsContact O-CB 3.29Å; I492-A496 WeakPolarHBondContact O-CB 3.33Å; I492-A496 PolarHBondContact O-N 3.07Å; T493-A496 PolarHBondContact O-N 2.88Å; E494-A496 VanDerWaalsContact C-N 3.34Å; E494-A496 PolarHBondContact O-N 2.97Å; A496-L499 PolarHBondContact O-N 2.66Å; A496-A500 WeakPolarHBondContact O-CB 3.17Å; A496-A500 PolarHBondContact O-N 3.06Å; A496-Y518 HydrophobicContact CB-CD2 4.24Å; A496-A521 HydrophobicContact CB-CB 4.28Å
497	R	90.4	Very high	86.1	Confident	103 Å²	103	72 Å²	72	39%	0.389	40%	0.398	S	S	.	.	H	α-helix	trans	-59.8	-54.2	172.9	-166.8	177.9	65.7	103.7	1.9	110.8	T493 E494 A495 L499 A500 S501 Y518	T493-R497 PolarHBondContact O-N 3.02Å; E494-R497 VanDerWaalsContact CD-NH2 3.3Å; E494-R497 WeakPolarHBondContact O-CB 3.38Å; E494-R497 PolarHBondContact O-N 2.63Å; E494-R497 IonicContact OE1-CZ 3.95Å; E494-R497 IonicContact OE1-NH2 2.93Å; E494-R497 PolarHBondContact OE1-NH2 3.49Å; E494-R497 IonicContact OE2-CZ 3.21Å; E494-R497 IonicContact OE2-NE 2.72Å; E494-R497 PolarHBondContact OE2-NE 2.87Å; E494-R497 IonicContact OE2-NH2 3.16Å; E494-R497 PolarHBondContact OE2-NH2 3.43Å; A495-R497 VanDerWaalsContact C-N 3.35Å; R497-L499 VanDerWaalsContact C-N 3.28Å; R497-L499 PolarHBondContact O-N 2.72Å; R497-A500 WeakPolarHBondContact O-CA 3.3Å; R497-A500 PolarHBondContact O-N 2.84Å; R497-S501 PolarHBondContact O-N 3.44Å; R497-S501 PolarHBondContact O-OG 3.2Å; R497-Y518 HydrophobicContact CB-CD2 3.86Å; R497-Y518 HydrophobicContact CB-CE2 3.48Å; R497-Y518 VanDerWaalsContact CB-CE2 3.48Å; R497-Y518 WeakPolarHBondContact CD-OH 3.41Å; R497-Y518 HydrophobicContact CG-CD2 4.48Å; R497-Y518 HydrophobicContact CG-CE1 4.16Å; R497-Y518 HydrophobicContact CG-CE2 3.83Å
498	R	89.6	Confident	85.7	Confident	160 Å²	160	78.6 Å²	78.6	60%	0.604	42%	0.417	S	S	*	.	H	α-helix	trans	-57.6	-39	177.9	-66.7	176.4	-169.2	-166.7	3.5	112.5	E494 A495 S501 D502	E494-R498 WeakPolarHBondContact O-CG 3.33Å; E494-R498 PolarHBondContact O-N 3.4Å; E494-R498 IonicContact OE1-CZ 3.56Å; E494-R498 IonicContact OE1-NE 2.86Å; E494-R498 PolarHBondContact OE1-NE 3.46Å; E494-R498 IonicContact OE1-NH2 2.59Å; E494-R498 PolarHBondContact OE1-NH2 3.04Å; A495-R498 PolarHBondContact O-N 3.1Å; R498-S501 WeakPolarHBondContact CA-OG 3.35Å; R498-S501 PolarHBondContact O-OG 3.12Å; R498-D502 PolarHBondContact O-N 3.12Å
499	L	85.1	Confident	85.3	Confident	92 Å²	92	82.5 Å²	82.5	48%	0.482	43%	0.431	S	S	.	.	H	α-helix	trans	-69.3	-33.9	174.8	-73.4	170.5	0	0	0	112.5	A495 A496 R497 D502 R514	A495-L499 WeakPolarHBondContact O-CB 3.39Å; A495-L499 VanDerWaalsContact O-CG 3.32Å; A495-L499 WeakPolarHBondContact O-CG 3.47Å; A495-L499 PolarHBondContact O-N 2.78Å; A496-L499 PolarHBondContact O-N 2.66Å; R497-L499 VanDerWaalsContact C-N 3.28Å; R497-L499 PolarHBondContact O-N 2.72Å; L499-D502 WeakPolarHBondContact O-CB 3.32Å; L499-R514 WeakPolarHBondContact O-CD 3.37Å; L499-R514 PolarHBondContact O-NH1 3.49Å
500	A	86.1	Confident	84.8	Confident	19 Å²	19	85.3 Å²	85.3	16%	0.157	45%	0.446	C	S	.	.	H	α-helix	trans	-75.2	-31	176.5	0	0	0	0	0	113.1	A496 R497 R514	A496-A500 WeakPolarHBondContact O-CB 3.17Å; A496-A500 PolarHBondContact O-N 3.06Å; R497-A500 WeakPolarHBondContact O-CA 3.3Å; R497-A500 PolarHBondContact O-N 2.84Å; A500-R514 HydrophobicContact CB-CB 4.44Å
501	S	82.5	Confident	84.5	Confident	79 Å²	79	88.2 Å²	88.2	55%	0.552	45%	0.454	S	S	*	.	H	α-helix	trans	-85.6	-5.6	176.5	64	0	0	0	0	114.6	R497 R498 P503	R497-S501 PolarHBondContact O-N 3.44Å; R497-S501 PolarHBondContact O-OG 3.2Å; R498-S501 WeakPolarHBondContact CA-OG 3.35Å; R498-S501 PolarHBondContact O-OG 3.12Å; S501-P503 VanDerWaalsContact O-CD 3.29Å; S501-P503 WeakPolarHBondContact O-CD 3.21Å
502	D	84.7	Confident	84.3	Confident	41 Å²	41	88.7 Å²	88.7	22%	0.219	45%	0.453	C	S	.	.			trans	-51.5	114.7	179.5	178	-2.3	0	0	0	112.5	R498 L499 H504 V505 R514	R498-D502 PolarHBondContact O-N 3.12Å; L499-D502 WeakPolarHBondContact O-CB 3.32Å; D502-H504 VanDerWaalsContact C-N 3.29Å; D502-H504 PolarHBondContact O-N 3.43Å; D502-H504 IonicContact OD1-CD2 2.97Å; D502-H504 PolarHBondContact OD1-N 3.47Å; D502-V505 HydrophobicContact CB-CG2 3.75Å; D502-V505 VanDerWaalsContact CG-CG2 3.49Å; D502-V505 VanDerWaalsContact OD2-CG2 3.3Å; D502-V505 WeakPolarHBondContact OD2-CG2 3.48Å; D502-R514 VanDerWaalsContact CB-NH1 3.31Å; D502-R514 IonicContact OD2-CZ 2.74Å; D502-R514 IonicContact OD2-NH1 2.62Å; D502-R514 PolarHBondContact OD2-NH1 3.41Å; D502-R514 IonicContact OD2-NH2 2.73Å; D502-R514 PolarHBondContact OD2-NH2 3.47Å
503	P	77.4	Confident	84.3	Confident	107 Å²	107	90.6 Å²	90.6	70%	0.695	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.9	-179.2	-23	34.9	0	0	0	114.1	S501 V505	S501-P503 VanDerWaalsContact O-CD 3.29Å; S501-P503 WeakPolarHBondContact O-CD 3.21Å; P503-V505 VanDerWaalsContact C-N 3.26Å; P503-V505 PolarHBondContact O-N 3.19Å
504	H	76.6	Confident	84.3	Confident	169 Å²	169	93.2 Å²	93.2	78%	0.782	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	5.1	-169	-58.8	-77.1	0	0	0	113.4	D502 S506	D502-H504 VanDerWaalsContact C-N 3.29Å; D502-H504 PolarHBondContact O-N 3.43Å; D502-H504 IonicContact OD1-CD2 2.97Å; D502-H504 PolarHBondContact OD1-N 3.47Å; H504-S506 PolarHBondContact O-N 3.27Å; H504-S506 VanDerWaalsContact O-N 3.11Å
505	V	78.2	Confident	84.2	Confident	19 Å²	19	95.6 Å²	95.6	12%	0.115	48%	0.48	C	S	.	.			trans	-82.4	84.9	179.3	-169.6	0	0	0	0	111.8	D502 P503 S507 L510 K511 R514	D502-V505 HydrophobicContact CB-CG2 3.75Å; D502-V505 VanDerWaalsContact CG-CG2 3.49Å; D502-V505 VanDerWaalsContact OD2-CG2 3.3Å; D502-V505 WeakPolarHBondContact OD2-CG2 3.48Å; P503-V505 VanDerWaalsContact C-N 3.26Å; P503-V505 PolarHBondContact O-N 3.19Å; V505-S507 VanDerWaalsContact C-N 3.28Å; V505-S507 PolarHBondContact O-N 3.29Å; V505-L510 HydrophobicContact CG1-CB 3.99Å; V505-L510 HydrophobicContact CG1-CD2 4.03Å; V505-L510 HydrophobicContact CG1-CG 3.94Å; V505-K511 HydrophobicContact CG1-CB 4.1Å; V505-R514 VanDerWaalsContact CG2-CZ 3.49Å; V505-R514 VanDerWaalsContact CG2-NH1 3.29Å
506	S	71.4	Confident	84.2	Confident	122 Å²	122	96.5 Å²	96.5	85%	0.853	48%	0.48	S	S	*	.			trans	-63.8	-26.8	176.5	60.7	0	0	0	0	114.6	H504 K508	H504-S506 PolarHBondContact O-N 3.27Å; H504-S506 VanDerWaalsContact O-N 3.11Å; S506-K508 PolarHBondContact O-N 2.66Å
507	S	84.6	Confident	84.2	Confident	57 Å²	57	99.4 Å²	99.4	40%	0.399	50%	0.5	S	S	.	.			trans	-79.8	106.5	-177.9	176.8	0	0	0	0	112.3	V505 K509 L510 K511	V505-S507 VanDerWaalsContact C-N 3.28Å; V505-S507 PolarHBondContact O-N 3.29Å; S507-K509 PolarHBondContact O-N 3.37Å; S507-K509 VanDerWaalsContact O-N 3.15Å; S507-L510 PolarHBondContact O-N 3.48Å; S507-L510 PolarHBondContact OG-N 3.48Å; S507-K511 PolarHBondContact O-N 3.01Å
508	K	81.4	Confident	84.3	Confident	190 Å²	190	95.5 Å²	95.5	83%	0.826	49%	0.485	S	S	*	.	H	α-helix	trans	-51.5	-36.8	175.2	-66	-172.6	178.8	-175.9	0	113	S506 K512	S506-K508 PolarHBondContact O-N 2.66Å; K508-K512 PolarHBondContact O-N 3.09Å
509	K	81.3	Confident	84.4	Confident	173 Å²	173	92.2 Å²	92.2	75%	0.752	48%	0.479	S	S	*	.	H	α-helix	trans	-66.6	-42.5	176.8	-173.2	176.8	179.9	179.8	0	111.7	S507 Q513	S507-K509 PolarHBondContact O-N 3.37Å; S507-K509 VanDerWaalsContact O-N 3.15Å; K509-Q513 WeakPolarHBondContact O-CB 3.23Å; K509-Q513 PolarHBondContact O-N 3.49Å
510	L	81.5	Confident	84.6	Confident	66 Å²	66	92.8 Å²	92.8	35%	0.346	48%	0.482	S	S	.	.	H	α-helix	trans	-69.9	-41.9	177.2	-175.3	56.5	0	0	0	111.5	V505 S507 K512 Q513 R514	V505-L510 HydrophobicContact CG1-CB 3.99Å; V505-L510 HydrophobicContact CG1-CD2 4.03Å; V505-L510 HydrophobicContact CG1-CG 3.94Å; S507-L510 PolarHBondContact O-N 3.48Å; S507-L510 PolarHBondContact OG-N 3.48Å; L510-K512 VanDerWaalsContact C-N 3.34Å; L510-K512 PolarHBondContact O-N 2.92Å; L510-Q513 WeakPolarHBondContact O-CB 3.4Å; L510-Q513 PolarHBondContact O-N 2.84Å; L510-Q513 VanDerWaalsContact O-N 3.14Å; L510-R514 HydrophobicContact CD1-CG 4.24Å; L510-R514 HydrophobicContact CG-CG 4.44Å; L510-R514 WeakPolarHBondContact O-CG 3.4Å; L510-R514 PolarHBondContact O-N 2.77Å
511	K	83.8	Confident	84.8	Confident	100 Å²	100	92.3 Å²	92.3	44%	0.435	48%	0.479	S	S	.	.	H	α-helix	trans	-60.8	-41.7	176.5	-163.4	165.1	-173.8	168.7	0	111.6	V505 S507 R514 K515	V505-K511 HydrophobicContact CG1-CB 4.1Å; S507-K511 PolarHBondContact O-N 3.01Å; K511-R514 PolarHBondContact O-N 3.08Å; K511-K515 PolarHBondContact O-N 3.28Å
512	K	86.5	Confident	85.2	Confident	160 Å²	160	89.1 Å²	89.1	70%	0.696	46%	0.455	S	S	*	.	H	α-helix	trans	-61	-47.4	170.9	-174.4	169.9	-177.8	171.4	0	112.2	K508 L510 R514 K515 T516	K508-K512 PolarHBondContact O-N 3.09Å; L510-K512 VanDerWaalsContact C-N 3.34Å; L510-K512 PolarHBondContact O-N 2.92Å; K512-R514 VanDerWaalsContact C-N 3.34Å; K512-R514 PolarHBondContact O-N 3.35Å; K512-K515 PolarHBondContact O-N 2.94Å; K512-T516 PolarHBondContact O-N 3.48Å; K512-T516 PolarHBondContact O-OG1 3.23Å
513	Q	89.5	Confident	85.5	Confident	127 Å²	127	93.3 Å²	93.3	59%	0.593	47%	0.472	S	S	*	.	H	α-helix	trans	-59.8	-41.2	178.2	-176.1	177.9	-3.1	0	0	112.4	K509 L510 T516 S517	K509-Q513 WeakPolarHBondContact O-CB 3.23Å; K509-Q513 PolarHBondContact O-N 3.49Å; L510-Q513 WeakPolarHBondContact O-CB 3.4Å; L510-Q513 PolarHBondContact O-N 2.84Å; L510-Q513 VanDerWaalsContact O-N 3.14Å; Q513-T516 PolarHBondContact O-N 2.87Å; Q513-S517 PolarHBondContact O-N 3.04Å
514	R	91.1	Very high	86.2	Confident	57 Å²	57	91.7 Å²	91.7	22%	0.215	45%	0.454	C	S	.	.	H	α-helix	trans	-67	-43.8	176.5	-66.3	-169.3	-173.5	-175.9	4.8	112.2	L499 A500 D502 V505 L510 K511 K512 T516 S517 Y518	L499-R514 WeakPolarHBondContact O-CD 3.37Å; L499-R514 PolarHBondContact O-NH1 3.49Å; A500-R514 HydrophobicContact CB-CB 4.44Å; D502-R514 VanDerWaalsContact CB-NH1 3.31Å; D502-R514 IonicContact OD2-CZ 2.74Å; D502-R514 IonicContact OD2-NH1 2.62Å; D502-R514 PolarHBondContact OD2-NH1 3.41Å; D502-R514 IonicContact OD2-NH2 2.73Å; D502-R514 PolarHBondContact OD2-NH2 3.47Å; V505-R514 VanDerWaalsContact CG2-CZ 3.49Å; V505-R514 VanDerWaalsContact CG2-NH1 3.29Å; L510-R514 HydrophobicContact CD1-CG 4.24Å; L510-R514 HydrophobicContact CG-CG 4.44Å; L510-R514 WeakPolarHBondContact O-CG 3.4Å; L510-R514 PolarHBondContact O-N 2.77Å; K511-R514 PolarHBondContact O-N 3.08Å; K512-R514 VanDerWaalsContact C-N 3.34Å; K512-R514 PolarHBondContact O-N 3.35Å; R514-T516 VanDerWaalsContact C-N 3.34Å; R514-T516 PolarHBondContact O-N 2.97Å; R514-S517 WeakPolarHBondContact O-CB 3.5Å; R514-S517 PolarHBondContact O-N 3.05Å; R514-S517 VanDerWaalsContact O-N 3.11Å; R514-Y518 PolarHBondContact O-N 2.81Å
515	K	88.8	Confident	86.9	Confident	107 Å²	107	83.7 Å²	83.7	47%	0.465	42%	0.417	S	S	.	.	H	α-helix	trans	-60.6	-40.2	173.8	-171.5	164.1	-176.9	167.3	0	111.8	K511 K512 Y518 L519 S558	K511-K515 PolarHBondContact O-N 3.28Å; K512-K515 PolarHBondContact O-N 2.94Å; K515-Y518 PolarHBondContact O-N 2.84Å; K515-L519 HydrophobicContact CG-CD1 4.41Å; K515-L519 WeakPolarHBondContact O-CG 3.32Å; K515-L519 PolarHBondContact O-N 3.35Å; K515-L519 VanDerWaalsContact O-N 3.1Å; K515-S558 PolarHBondContact NZ-OG 3.05Å
516	T	89	Confident	87.5	Confident	67 Å²	67	84.4 Å²	84.4	41%	0.411	42%	0.419	S	S	.	.	H	α-helix	trans	-64.2	-39.8	172.4	-57.9	0	0	0	0	112.6	K512 Q513 R514 Y518 L519 N520	K512-T516 PolarHBondContact O-N 3.48Å; K512-T516 PolarHBondContact O-OG1 3.23Å; Q513-T516 PolarHBondContact O-N 2.87Å; R514-T516 VanDerWaalsContact C-N 3.34Å; R514-T516 PolarHBondContact O-N 2.97Å; T516-Y518 VanDerWaalsContact C-N 3.33Å; T516-Y518 PolarHBondContact O-N 3.4Å; T516-L519 PolarHBondContact O-N 2.83Å; T516-N520 VanDerWaalsContact O-CG 3.26Å; T516-N520 PolarHBondContact O-N 2.81Å
517	S	89.4	Confident	88.5	Confident	72 Å²	72	82.9 Å²	82.9	50%	0.503	40%	0.398	S	S	.	.	H	α-helix	trans	-64	-37.2	177.2	-162.6	0	0	0	0	112.6	Q513 R514 A521	Q513-S517 PolarHBondContact O-N 3.04Å; R514-S517 WeakPolarHBondContact O-CB 3.5Å; R514-S517 PolarHBondContact O-N 3.05Å; R514-S517 VanDerWaalsContact O-N 3.11Å; S517-A521 PolarHBondContact O-N 3.45Å; S517-A521 VanDerWaalsContact O-N 3.11Å
518	Y	92	Very high	88.8	Confident	22 Å²	22	80.9 Å²	80.9	9%	0.086	38%	0.383	C	S	.	.	H	α-helix	trans	-67.3	-46.9	175.2	171.6	-128	0	0	0	112.3	T493 A496 R497 R514 K515 T516 N520 A521 L522 A554	T493-Y518 HydrophobicContact CG2-CD2 4.28Å; T493-Y518 HydrophobicContact CG2-CE2 3.94Å; A496-Y518 HydrophobicContact CB-CD2 4.24Å; R497-Y518 HydrophobicContact CB-CD2 3.86Å; R497-Y518 HydrophobicContact CB-CE2 3.48Å; R497-Y518 VanDerWaalsContact CB-CE2 3.48Å; R497-Y518 WeakPolarHBondContact CD-OH 3.41Å; R497-Y518 HydrophobicContact CG-CD2 4.48Å; R497-Y518 HydrophobicContact CG-CE1 4.16Å; R497-Y518 HydrophobicContact CG-CE2 3.83Å; R514-Y518 PolarHBondContact O-N 2.81Å; K515-Y518 PolarHBondContact O-N 2.84Å; T516-Y518 VanDerWaalsContact C-N 3.33Å; T516-Y518 PolarHBondContact O-N 3.4Å; Y518-N520 VanDerWaalsContact C-N 3.29Å; Y518-N520 PolarHBondContact O-N 3.45Å; Y518-A521 WeakPolarHBondContact O-CB 3.24Å; Y518-A521 PolarHBondContact O-N 3Å; Y518-L522 HydrophobicContact CD1-CD1 4.34Å; Y518-L522 HydrophobicContact CD2-CD1 4.34Å; Y518-L522 HydrophobicContact CD2-CG 4.27Å; Y518-L522 HydrophobicContact CE1-CD1 3.82Å; Y518-L522 HydrophobicContact CE2-CD1 3.8Å; Y518-L522 HydrophobicContact CE2-CD2 4.16Å; Y518-L522 HydrophobicContact CE2-CG 3.77Å; Y518-L522 PolarHBondContact O-N 3.04Å; Y518-A554 HydrophobicContact CE1-CB 4.39Å; Y518-A554 VanDerWaalsContact OH-CB 3.27Å; Y518-A554 WeakPolarHBondContact OH-CB 3.44Å
519	L	90.9	Very high	89.2	Confident	91 Å²	91	71.9 Å²	71.9	48%	0.476	34%	0.344	S	S	.	.	H	α-helix	trans	-60.1	-38.5	176.2	-69	169.5	0	0	0	112.4	K515 T516 A521 L522 K523	K515-L519 HydrophobicContact CG-CD1 4.41Å; K515-L519 WeakPolarHBondContact O-CG 3.32Å; K515-L519 PolarHBondContact O-N 3.35Å; K515-L519 VanDerWaalsContact O-N 3.1Å; T516-L519 PolarHBondContact O-N 2.83Å; L519-A521 VanDerWaalsContact C-N 3.34Å; L519-L522 HydrophobicContact CD2-CD1 4.45Å; L519-K523 PolarHBondContact O-N 2.95Å
520	N	89.7	Confident	89.7	Confident	103 Å²	103	67.3 Å²	67.3	55%	0.551	33%	0.328	S	S	*	.	H	α-helix	trans	-66.5	-35.3	174	-70.1	-8	0	0	0	112.4	T516 Y518 K523 K524	T516-N520 VanDerWaalsContact O-CG 3.26Å; T516-N520 PolarHBondContact O-N 2.81Å; Y518-N520 VanDerWaalsContact C-N 3.29Å; Y518-N520 PolarHBondContact O-N 3.45Å; N520-K523 PolarHBondContact O-N 3.25Å; N520-K524 PolarHBondContact O-N 2.77Å; N520-K524 VanDerWaalsContact O-N 3.13Å
521	A	90	Very high	90.2	Very high	10 Å²	10	66.4 Å²	66.4	8%	0.083	33%	0.326	C	S	.	.	H	α-helix	trans	-69.4	-42.6	177	0	0	0	0	0	112.1	Q489 T493 A496 S517 Y518 L519 K524 L525	Q489-A521 PolarHBondContact NE2-O 3.29Å; T493-A521 HydrophobicContact CG2-CB 4.23Å; T493-A521 PolarHBondContact OG1-O 3.16Å; A496-A521 HydrophobicContact CB-CB 4.28Å; S517-A521 PolarHBondContact O-N 3.45Å; S517-A521 VanDerWaalsContact O-N 3.11Å; Y518-A521 WeakPolarHBondContact O-CB 3.24Å; Y518-A521 PolarHBondContact O-N 3Å; L519-A521 VanDerWaalsContact C-N 3.34Å; A521-K524 PolarHBondContact O-N 2.62Å; A521-L525 WeakPolarHBondContact O-CB 3.17Å; A521-L525 PolarHBondContact O-N 2.99Å
522	L	90.8	Very high	90.4	Very high	11 Å²	11	61.7 Å²	61.7	6%	0.058	31%	0.306	C	S	.	.	H	α-helix	trans	-57.4	-46.2	170.9	-77.1	168.5	0	0	0	111.7	T493 Y518 L519 K524 L525 Q526 I550 I551 A554	T493-L522 HydrophobicContact CG2-CB 4.45Å; T493-L522 HydrophobicContact CG2-CD2 3.61Å; T493-L522 HydrophobicContact CG2-CG 3.77Å; Y518-L522 HydrophobicContact CD1-CD1 4.34Å; Y518-L522 HydrophobicContact CD2-CD1 4.34Å; Y518-L522 HydrophobicContact CD2-CG 4.27Å; Y518-L522 HydrophobicContact CE1-CD1 3.82Å; Y518-L522 HydrophobicContact CE2-CD1 3.8Å; Y518-L522 HydrophobicContact CE2-CD2 4.16Å; Y518-L522 HydrophobicContact CE2-CG 3.77Å; Y518-L522 PolarHBondContact O-N 3.04Å; L519-L522 HydrophobicContact CD2-CD1 4.45Å; L522-K524 PolarHBondContact O-N 3.46Å; L522-L525 WeakPolarHBondContact O-CB 3.3Å; L522-L525 PolarHBondContact O-N 3.38Å; L522-L525 VanDerWaalsContact O-N 3.13Å; L522-Q526 PolarHBondContact O-N 3.04Å; L522-I550 HydrophobicContact CD2-CG2 3.95Å; L522-I551 HydrophobicContact CD2-CG1 3.96Å; L522-A554 HydrophobicContact CD1-CB 4.14Å
523	K	91.4	Very high	90.6	Very high	130 Å²	130	55.1 Å²	55.1	57%	0.565	28%	0.278	S	S	*	.	H	α-helix	trans	-60	-45.6	179.1	-170.8	173.3	-173.8	-72.9	0	111.9	L519 N520 L525 Q526 E527	L519-K523 PolarHBondContact O-N 2.95Å; N520-K523 PolarHBondContact O-N 3.25Å; K523-L525 VanDerWaalsContact C-N 3.32Å; K523-L525 PolarHBondContact O-N 2.92Å; K523-Q526 PolarHBondContact O-N 3.17Å; K523-E527 IonicContact NZ-OE1 2.78Å; K523-E527 PolarHBondContact NZ-OE1 3.45Å; K523-E527 VanDerWaalsContact O-CG 3.31Å; K523-E527 WeakPolarHBondContact O-CG 3.35Å; K523-E527 PolarHBondContact O-N 2.6Å
524	K	91.8	Very high	90.5	Very high	72 Å²	72	54.2 Å²	54.2	31%	0.313	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-34.7	175.2	-178.3	169.1	175.3	-72.9	0	112.4	E485 Q489 N520 A521 L522 E527 I528	E485-K524 IonicContact OE1-NZ 3.16Å; E485-K524 PolarHBondContact OE1-NZ 3.14Å; Q489-K524 HydrophobicContact CG-CB 4.46Å; Q489-K524 HydrophobicContact CG-CG 4.16Å; N520-K524 PolarHBondContact O-N 2.77Å; N520-K524 VanDerWaalsContact O-N 3.13Å; A521-K524 PolarHBondContact O-N 2.62Å; L522-K524 PolarHBondContact O-N 3.46Å; K524-E527 PolarHBondContact O-N 3.08Å; K524-I528 HydrophobicContact CG-CD1 4.04Å; K524-I528 WeakPolarHBondContact O-CD1 3.37Å; K524-I528 VanDerWaalsContact O-CG1 3.3Å; K524-I528 WeakPolarHBondContact O-CG1 3.49Å; K524-I528 PolarHBondContact O-N 3.01Å; K524-I528 VanDerWaalsContact O-N 3.09Å
525	L	92.3	Very high	90.2	Very high	1 Å²	1	54 Å²	54	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-43.6	175.9	-171.5	63.6	0	0	0	111.8	F486 Q489 T493 A521 L522 K523 I528 E529 A547 I550	F486-L525 HydrophobicContact CD2-CD1 3.57Å; F486-L525 HydrophobicContact CD2-CG 4.36Å; F486-L525 HydrophobicContact CE2-CD1 3.39Å; F486-L525 HydrophobicContact CE2-CG 3.78Å; F486-L525 HydrophobicContact CG-CD1 4.22Å; F486-L525 HydrophobicContact CZ-CD1 3.93Å; F486-L525 HydrophobicContact CZ-CG 4.31Å; Q489-L525 HydrophobicContact CB-CD1 3.98Å; Q489-L525 HydrophobicContact CG-CB 3.97Å; Q489-L525 HydrophobicContact CG-CD1 3.9Å; T493-L525 HydrophobicContact CG2-CD2 4.26Å; A521-L525 WeakPolarHBondContact O-CB 3.17Å; A521-L525 PolarHBondContact O-N 2.99Å; L522-L525 WeakPolarHBondContact O-CB 3.3Å; L522-L525 PolarHBondContact O-N 3.38Å; L522-L525 VanDerWaalsContact O-N 3.13Å; K523-L525 VanDerWaalsContact C-N 3.32Å; K523-L525 PolarHBondContact O-N 2.92Å; L525-I528 PolarHBondContact O-N 3.01Å; L525-E529 PolarHBondContact O-N 3.16Å; L525-E529 VanDerWaalsContact O-N 3.08Å; L525-A547 HydrophobicContact CD2-CB 4.43Å; L525-A547 HydrophobicContact CG-CB 4.09Å; L525-I550 HydrophobicContact CD2-CD1 4.29Å
526	Q	90.4	Very high	89.9	Confident	35 Å²	35	51.2 Å²	51.2	16%	0.164	26%	0.261	C	S	.	.	H	α-helix	trans	-66.6	-38.6	174.6	-170.1	64.7	57	0	0	112.3	L522 K523 I528 E529 N530 A547 I551	L522-Q526 PolarHBondContact O-N 3.04Å; K523-Q526 PolarHBondContact O-N 3.17Å; Q526-I528 VanDerWaalsContact C-N 3.33Å; Q526-I528 PolarHBondContact O-N 3.36Å; Q526-E529 PolarHBondContact O-N 3.36Å; Q526-N530 PolarHBondContact NE2-OD1 2.86Å; Q526-N530 WeakPolarHBondContact O-CB 3.43Å; Q526-N530 PolarHBondContact O-N 2.89Å; Q526-N530 PolarHBondContact O-OD1 2.85Å; Q526-A547 HydrophobicContact CB-CB 4.42Å; Q526-I551 HydrophobicContact CB-CD1 4.14Å; Q526-I551 HydrophobicContact CG-CD1 4.38Å
527	E	92.2	Very high	89.7	Confident	90 Å²	90	52.3 Å²	52.3	42%	0.421	27%	0.267	S	S	.	.	H	α-helix	trans	-59.7	-42.5	175.5	-75.3	165.5	174.7	0	0	111.7	K523 K524 N530 S531	K523-E527 IonicContact NZ-OE1 2.78Å; K523-E527 PolarHBondContact NZ-OE1 3.45Å; K523-E527 VanDerWaalsContact O-CG 3.31Å; K523-E527 WeakPolarHBondContact O-CG 3.35Å; K523-E527 PolarHBondContact O-N 2.6Å; K524-E527 PolarHBondContact O-N 3.08Å; E527-N530 PolarHBondContact O-N 3.14Å; E527-S531 PolarHBondContact O-N 3.48Å; E527-S531 VanDerWaalsContact O-N 3.09Å; E527-S531 PolarHBondContact O-OG 3.07Å
528	I	91.1	Very high	89.2	Confident	14 Å²	14	55 Å²	55	7%	0.072	27%	0.266	C	S	.	.	H	α-helix	trans	-68.6	-42.6	176.4	-61.3	153.8	0	0	0	111.5	L482 E485 F486 Q489 K524 L525 Q526 N530 S531 I532	L482-I528 HydrophobicContact CD2-CG2 4.45Å; E485-I528 HydrophobicContact CG-CD1 3.82Å; E485-I528 HydrophobicContact CG-CG1 4.32Å; F486-I528 HydrophobicContact CB-CG2 3.79Å; F486-I528 HydrophobicContact CD2-CB 4.4Å; F486-I528 HydrophobicContact CD2-CG2 4.2Å; Q489-I528 HydrophobicContact CB-CD1 3.65Å; Q489-I528 HydrophobicContact CG-CD1 3.77Å; K524-I528 HydrophobicContact CG-CD1 4.04Å; K524-I528 WeakPolarHBondContact O-CD1 3.37Å; K524-I528 VanDerWaalsContact O-CG1 3.3Å; K524-I528 WeakPolarHBondContact O-CG1 3.49Å; K524-I528 PolarHBondContact O-N 3.01Å; K524-I528 VanDerWaalsContact O-N 3.09Å; L525-I528 PolarHBondContact O-N 3.01Å; Q526-I528 VanDerWaalsContact C-N 3.33Å; Q526-I528 PolarHBondContact O-N 3.36Å; I528-N530 VanDerWaalsContact C-N 3.29Å; I528-N530 PolarHBondContact O-N 3Å; I528-S531 PolarHBondContact O-N 2.85Å; I528-I532 HydrophobicContact CG2-CD1 3.99Å; I528-I532 HydrophobicContact CG2-CG1 4.49Å; I528-I532 WeakPolarHBondContact O-CG1 3.37Å; I528-I532 PolarHBondContact O-N 3.15Å
529	E	90.1	Very high	88.4	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-36.8	175	178.6	161.2	-124.3	0	0	111.8	F486 L525 Q526 S531 I532 N533 T544 Q545 R546 A547	F486-E529 HydrophobicContact CD2-CB 4.22Å; F486-E529 HydrophobicContact CE2-CB 3.8Å; L525-E529 PolarHBondContact O-N 3.16Å; L525-E529 VanDerWaalsContact O-N 3.08Å; Q526-E529 PolarHBondContact O-N 3.36Å; E529-S531 PolarHBondContact O-N 2.87Å; E529-I532 PolarHBondContact O-N 2.92Å; E529-N533 VanDerWaalsContact O-CB 3.27Å; E529-N533 WeakPolarHBondContact O-CB 3.49Å; E529-N533 VanDerWaalsContact O-CG 3.23Å; E529-N533 PolarHBondContact O-N 2.88Å; E529-N533 PolarHBondContact O-ND2 3.29Å; E529-T544 WeakPolarHBondContact OE1-CB 3.49Å; E529-T544 PolarHBondContact OE1-OG1 3.02Å; E529-Q545 PolarHBondContact OE1-N 2.87Å; E529-Q545 VanDerWaalsContact OE2-C 3.26Å; E529-Q545 WeakPolarHBondContact OE2-CA 3.11Å; E529-R546 WeakPolarHBondContact OE1-CB 3.39Å; E529-R546 PolarHBondContact OE1-N 3.05Å; E529-R546 PolarHBondContact OE2-N 2.86Å; E529-A547 HydrophobicContact CB-CB 4.24Å; E529-A547 WeakPolarHBondContact OE2-CB 3.47Å; E529-A547 PolarHBondContact OE2-N 2.87Å
530	N	91.4	Very high	87.6	Confident	78 Å²	78	55.8 Å²	55.8	42%	0.417	29%	0.294	S	S	.	.	H	α-helix	trans	-61.7	-43.8	175	-69.1	-3.3	0	0	0	111.1	Q526 E527 I528 N533 E534	Q526-N530 PolarHBondContact NE2-OD1 2.86Å; Q526-N530 WeakPolarHBondContact O-CB 3.43Å; Q526-N530 PolarHBondContact O-N 2.89Å; Q526-N530 PolarHBondContact O-OD1 2.85Å; E527-N530 PolarHBondContact O-N 3.14Å; I528-N530 VanDerWaalsContact C-N 3.29Å; I528-N530 PolarHBondContact O-N 3Å; N530-N533 WeakPolarHBondContact O-CB 3.5Å; N530-N533 PolarHBondContact O-N 2.73Å; N530-E534 PolarHBondContact O-N 3.48Å
531	S	91.4	Very high	87.2	Confident	46 Å²	46	55.6 Å²	55.6	32%	0.322	29%	0.288	S	S	.	.	H	α-helix	trans	-61.6	-45.4	173.4	-59.5	0	0	0	0	112.7	E527 I528 E529 N533 E534 Y535	E527-S531 PolarHBondContact O-N 3.48Å; E527-S531 VanDerWaalsContact O-N 3.09Å; E527-S531 PolarHBondContact O-OG 3.07Å; I528-S531 PolarHBondContact O-N 2.85Å; E529-S531 PolarHBondContact O-N 2.87Å; S531-N533 VanDerWaalsContact C-N 3.28Å; S531-N533 PolarHBondContact O-N 3.2Å; S531-E534 PolarHBondContact O-N 2.88Å; S531-Y535 VanDerWaalsContact O-CD2 3.29Å; S531-Y535 WeakPolarHBondContact O-CD2 3.01Å; S531-Y535 PolarHBondContact O-N 2.99Å
532	I	89.1	Confident	86.6	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-56.7	-44.7	173.7	-71	166.4	0	0	0	110.4	L479 L482 E483 F486 I528 E529 Y535 R536	L479-I532 HydrophobicContact CD1-CG2 4.13Å; L482-I532 HydrophobicContact CB-CD1 4.35Å; L482-I532 HydrophobicContact CB-CG1 3.72Å; E483-I532 HydrophobicContact CG-CD1 4.11Å; E483-I532 HydrophobicContact CG-CG1 4.43Å; F486-I532 HydrophobicContact CB-CD1 3.74Å; F486-I532 HydrophobicContact CD2-CD1 4.31Å; F486-I532 HydrophobicContact CG-CD1 4.11Å; I528-I532 HydrophobicContact CG2-CD1 3.99Å; I528-I532 HydrophobicContact CG2-CG1 4.49Å; I528-I532 WeakPolarHBondContact O-CG1 3.37Å; I528-I532 PolarHBondContact O-N 3.15Å; E529-I532 PolarHBondContact O-N 2.92Å; I532-Y535 PolarHBondContact O-N 2.74Å; I532-R536 HydrophobicContact CG2-CG 4.23Å; I532-R536 WeakPolarHBondContact O-CB 3.22Å; I532-R536 VanDerWaalsContact O-CG 3.23Å; I532-R536 WeakPolarHBondContact O-CG 3.46Å; I532-R536 PolarHBondContact O-N 2.99Å
533	N	89.5	Confident	86.2	Confident	21 Å²	21	66.6 Å²	66.6	11%	0.112	34%	0.341	C	S	.	.	H	α-helix	trans	-64.9	-38.9	-179.9	-79.5	-23.9	0	0	0	113	E529 N530 S531 R536 V537 P543 T544	E529-N533 VanDerWaalsContact O-CB 3.27Å; E529-N533 WeakPolarHBondContact O-CB 3.49Å; E529-N533 VanDerWaalsContact O-CG 3.23Å; E529-N533 PolarHBondContact O-N 2.88Å; E529-N533 PolarHBondContact O-ND2 3.29Å; N530-N533 WeakPolarHBondContact O-CB 3.5Å; N530-N533 PolarHBondContact O-N 2.73Å; S531-N533 VanDerWaalsContact C-N 3.28Å; S531-N533 PolarHBondContact O-N 3.2Å; N533-R536 PolarHBondContact O-N 3.06Å; N533-V537 WeakPolarHBondContact O-CB 3.48Å; N533-V537 VanDerWaalsContact O-CG2 3.3Å; N533-V537 WeakPolarHBondContact O-CG2 3.11Å; N533-V537 PolarHBondContact O-N 3.07Å; N533-P543 HydrophobicContact CB-CB 4.28Å; N533-P543 VanDerWaalsContact OD1-CA 3.25Å; N533-P543 WeakPolarHBondContact OD1-CA 3.45Å; N533-T544 PolarHBondContact ND2-O 3.25Å; N533-T544 PolarHBondContact OD1-N 2.98Å; N533-T544 PolarHBondContact OD1-O 3.4Å; N533-T544 PolarHBondContact OD1-OG1 2.85Å
534	E	89.1	Confident	85.6	Confident	108 Å²	108	61.5 Å²	61.5	51%	0.505	32%	0.321	S	S	.	.	H	α-helix	trans	-60	-47.7	172.6	-73.7	-174.2	-157.5	0	0	111.9	N530 S531 R536 V537 R538	N530-E534 PolarHBondContact O-N 3.48Å; S531-E534 PolarHBondContact O-N 2.88Å; E534-R536 VanDerWaalsContact C-N 3.34Å; E534-R536 PolarHBondContact O-N 3.4Å; E534-V537 PolarHBondContact O-N 2.8Å; E534-R538 WeakPolarHBondContact O-CB 3.44Å; E534-R538 WeakPolarHBondContact O-CG 3.37Å; E534-R538 PolarHBondContact O-N 2.83Å; E534-R538 IonicContact OE2-CZ 3.65Å; E534-R538 IonicContact OE2-NH1 2.82Å; E534-R538 PolarHBondContact OE2-NH1 3.08Å; E534-R538 IonicContact OE2-NH2 3.16Å
535	Y	84	Confident	84.9	Confident	52 Å²	52	64.5 Å²	64.5	20%	0.204	34%	0.336	C	S	.	.	H	α-helix	trans	-61.3	-43.9	176	-80.6	-75.5	0	0	0	111.4	E478 L482 S531 I532 V537 R538 S539	E478-Y535 HydrophobicContact CG-CE2 4.22Å; L482-Y535 HydrophobicContact CD1-CD2 3.67Å; L482-Y535 HydrophobicContact CD1-CE2 3.63Å; S531-Y535 VanDerWaalsContact O-CD2 3.29Å; S531-Y535 WeakPolarHBondContact O-CD2 3.01Å; S531-Y535 PolarHBondContact O-N 2.99Å; I532-Y535 PolarHBondContact O-N 2.74Å; Y535-V537 PolarHBondContact O-N 2.93Å; Y535-R538 VanDerWaalsContact CD2-NH2 3.3Å; Y535-R538 VanDerWaalsContact CG-NH2 3.35Å; Y535-R538 PolarHBondContact O-N 2.87Å; Y535-S539 PolarHBondContact O-N 2.86Å; Y535-S539 PolarHBondContact O-OG 2.66Å; Y535-S539 VanDerWaalsContact O-OG 3.07Å
536	R	81.9	Confident	84.4	Confident	50 Å²	50	70 Å²	70	19%	0.189	36%	0.357	C	S	.	.	H	α-helix	trans	-58.5	-46.2	176.1	-70.5	172.1	70.3	87	5.8	111.7	I532 N533 E534 S539 G540 K541 K542	I532-R536 HydrophobicContact CG2-CG 4.23Å; I532-R536 WeakPolarHBondContact O-CB 3.22Å; I532-R536 VanDerWaalsContact O-CG 3.23Å; I532-R536 WeakPolarHBondContact O-CG 3.46Å; I532-R536 PolarHBondContact O-N 2.99Å; N533-R536 PolarHBondContact O-N 3.06Å; E534-R536 VanDerWaalsContact C-N 3.34Å; E534-R536 PolarHBondContact O-N 3.4Å; R536-S539 CarbonylContact O-C 3.56Å; R536-S539 PolarHBondContact O-N 2.95Å; R536-G540 PolarHBondContact O-N 3.48Å; R536-G540 VanDerWaalsContact O-N 3.14Å; R536-K541 CarbonylContact C-O 3.34Å; R536-K541 VanDerWaalsContact C-O 3.28Å; R536-K541 HydrophobicContact CB-CB 4.07Å; R536-K541 WeakPolarHBondContact O-CA 3.5Å; R536-K541 WeakPolarHBondContact O-CB 3.49Å; R536-K541 PolarHBondContact O-N 3.33Å; R536-K541 VanDerWaalsContact O-O 3.1Å; R536-K542 PolarHBondContact NE-O 2.99Å; R536-K542 PolarHBondContact NH2-O 2.9Å
537	V	84.7	Confident	83.5	Confident	89 Å²	89	68.4 Å²	68.4	54%	0.539	35%	0.35	S	S	.	.	H	α-helix	trans	-64.7	-42.7	177.3	170.1	0	0	0	0	111.6	N533 E534 Y535 S539 G540 P543	N533-V537 WeakPolarHBondContact O-CB 3.48Å; N533-V537 VanDerWaalsContact O-CG2 3.3Å; N533-V537 WeakPolarHBondContact O-CG2 3.11Å; N533-V537 PolarHBondContact O-N 3.07Å; E534-V537 PolarHBondContact O-N 2.8Å; Y535-V537 PolarHBondContact O-N 2.93Å; V537-S539 VanDerWaalsContact C-N 3.27Å; V537-S539 PolarHBondContact O-N 3.49Å; V537-G540 PolarHBondContact O-N 2.88Å; V537-P543 HydrophobicContact CG2-CG 3.75Å
538	R	79.2	Confident	82.6	Confident	128 Å²	128	66.4 Å²	66.4	48%	0.483	35%	0.345	S	S	.	.	H	α-helix	trans	-57.5	-40.2	172.3	-74.1	-174.4	-73.3	-100	1	111.6	E534 Y535 G540	E534-R538 WeakPolarHBondContact O-CB 3.44Å; E534-R538 WeakPolarHBondContact O-CG 3.37Å; E534-R538 PolarHBondContact O-N 2.83Å; E534-R538 IonicContact OE2-CZ 3.65Å; E534-R538 IonicContact OE2-NH1 2.82Å; E534-R538 PolarHBondContact OE2-NH1 3.08Å; E534-R538 IonicContact OE2-NH2 3.16Å; Y535-R538 VanDerWaalsContact CD2-NH2 3.3Å; Y535-R538 VanDerWaalsContact CG-NH2 3.35Å; Y535-R538 PolarHBondContact O-N 2.87Å; R538-G540 VanDerWaalsContact C-N 3.28Å; R538-G540 PolarHBondContact O-N 2.92Å
539	S	76.6	Confident	81.4	Confident	58 Å²	58	70.7 Å²	70.7	41%	0.406	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	12.7	173.9	-47.5	0	0	0	0	115.1	Y535 R536 V537 K541	Y535-S539 PolarHBondContact O-N 2.86Å; Y535-S539 PolarHBondContact O-OG 2.66Å; Y535-S539 VanDerWaalsContact O-OG 3.07Å; R536-S539 CarbonylContact O-C 3.56Å; R536-S539 PolarHBondContact O-N 2.95Å; V537-S539 VanDerWaalsContact C-N 3.27Å; V537-S539 PolarHBondContact O-N 3.49Å; S539-K541 PolarHBondContact O-N 3.03Å
540	G	74.3	Confident	80.4	Confident	73 Å²	73	73 Å²	73	75%	0.753	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	9.1	179.3	0	0	0	0	0	116	R536 V537 R538	R536-G540 PolarHBondContact O-N 3.48Å; R536-G540 VanDerWaalsContact O-N 3.14Å; V537-G540 PolarHBondContact O-N 2.88Å; R538-G540 VanDerWaalsContact C-N 3.28Å; R538-G540 PolarHBondContact O-N 2.92Å
541	K	79.3	Confident	79.3	Confident	98 Å²	98	72.4 Å²	72.4	43%	0.426	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-89.5	144	178.7	-60.8	170.4	-175.1	170.3	0	110	R536 S539	R536-K541 CarbonylContact C-O 3.34Å; R536-K541 VanDerWaalsContact C-O 3.28Å; R536-K541 HydrophobicContact CB-CB 4.07Å; R536-K541 WeakPolarHBondContact O-CA 3.5Å; R536-K541 WeakPolarHBondContact O-CB 3.49Å; R536-K541 PolarHBondContact O-N 3.33Å; R536-K541 VanDerWaalsContact O-O 3.1Å; S539-K541 PolarHBondContact O-N 3.03Å
542	K	78.4	Confident	77.8	Confident	178 Å²	178	76 Å²	76	77%	0.774	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-64.9	142.5	177.3	-67.7	-174.8	178.8	-178	0	111.9	R536	R536-K542 PolarHBondContact NE-O 2.99Å; R536-K542 PolarHBondContact NH2-O 2.9Å
543	P	82.3	Confident	76.4	Confident	75 Å²	75	82.3 Å²	82.3	49%	0.487	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-56	156.9	170.3	-26.3	34.7	0	0	0	114	N533 V537	N533-P543 HydrophobicContact CB-CB 4.28Å; N533-P543 VanDerWaalsContact OD1-CA 3.25Å; N533-P543 WeakPolarHBondContact OD1-CA 3.45Å; V537-P543 HydrophobicContact CG2-CG 3.75Å
544	T	79.4	Confident	75	Confident	23 Å²	23	82.4 Å²	82.4	14%	0.141	42%	0.421	C	S	.	.			trans	-105.9	161.5	164.7	56.1	0	0	0	0	110.9	E529 N533	E529-T544 WeakPolarHBondContact OE1-CB 3.49Å; E529-T544 PolarHBondContact OE1-OG1 3.02Å; N533-T544 PolarHBondContact ND2-O 3.25Å; N533-T544 PolarHBondContact OD1-N 2.98Å; N533-T544 PolarHBondContact OD1-O 3.4Å; N533-T544 PolarHBondContact OD1-OG1 2.85Å
545	Q	76.3	Confident	73.3	Confident	135 Å²	135	83 Å²	83	63%	0.631	43%	0.428	S	S	*	.			trans	-133.3	33.5	-178.5	-63.1	179.5	-9.3	0	0	111.1	E529 S548 L549	E529-Q545 PolarHBondContact OE1-N 2.87Å; E529-Q545 VanDerWaalsContact OE2-C 3.26Å; E529-Q545 WeakPolarHBondContact OE2-CA 3.11Å; Q545-S548 PolarHBondContact O-N 2.83Å; Q545-L549 WeakPolarHBondContact O-CG 3.31Å; Q545-L549 PolarHBondContact O-N 2.9Å
546	R	82.3	Confident	71.8	Confident	117 Å²	117	86.6 Å²	86.6	44%	0.442	45%	0.449	S	S	.	.	H	α-helix	trans	-63.7	-40	-173.5	-65.6	163.9	170.9	168	-4.8	112.2	F486 E529 I550	F486-R546 HydrophobicContact CE1-CB 4.22Å; F486-R546 HydrophobicContact CZ-CB 3.81Å; E529-R546 WeakPolarHBondContact OE1-CB 3.39Å; E529-R546 PolarHBondContact OE1-N 3.05Å; E529-R546 PolarHBondContact OE2-N 2.86Å; R546-I550 WeakPolarHBondContact O-CD1 2.94Å; R546-I550 WeakPolarHBondContact O-CG1 3.37Å
547	A	71.8	Confident	69.9	Low	1 Å²	1	89.5 Å²	89.5	1%	0.008	48%	0.476	C	S	.	.	H	α-helix	trans	-75.7	-36.7	176.5	0	0	0	0	0	111.6	F486 L525 Q526 E529 L549 I550 I551	F486-A547 HydrophobicContact CE2-CB 4.23Å; L525-A547 HydrophobicContact CD2-CB 4.43Å; L525-A547 HydrophobicContact CG-CB 4.09Å; Q526-A547 HydrophobicContact CB-CB 4.42Å; E529-A547 HydrophobicContact CB-CB 4.24Å; E529-A547 WeakPolarHBondContact OE2-CB 3.47Å; E529-A547 PolarHBondContact OE2-N 2.87Å; A547-L549 VanDerWaalsContact C-N 3.34Å; A547-L549 PolarHBondContact O-N 2.85Å; A547-I550 PolarHBondContact O-N 2.84Å; A547-I550 VanDerWaalsContact O-N 3.15Å; A547-I551 WeakPolarHBondContact O-CG1 3.25Å; A547-I551 PolarHBondContact O-N 2.68Å
548	S	71.6	Confident	67.9	Low	47 Å²	47	87.9 Å²	87.9	33%	0.329	47%	0.469	S	S	.	.	H	α-helix	trans	-58.2	-45.2	178	-50.1	0	0	0	0	112	Q545 I550 I551 E552	Q545-S548 PolarHBondContact O-N 2.83Å; S548-I550 VanDerWaalsContact C-N 3.33Å; S548-I550 PolarHBondContact O-N 3.07Å; S548-I551 WeakPolarHBondContact O-CB 3.46Å; S548-I551 PolarHBondContact O-N 3.48Å; S548-E552 PolarHBondContact O-N 3.21Å
549	L	67.4	Low	65.9	Low	104 Å²	104	89.6 Å²	89.6	55%	0.545	48%	0.482	S	S	.	.	H	α-helix	trans	-61.8	-38.5	176.8	-67.6	166.8	0	0	0	112.5	Q545 A547 I551 E552 E553	Q545-L549 WeakPolarHBondContact O-CG 3.31Å; Q545-L549 PolarHBondContact O-N 2.9Å; A547-L549 VanDerWaalsContact C-N 3.34Å; A547-L549 PolarHBondContact O-N 2.85Å; L549-I551 VanDerWaalsContact C-N 3.33Å; L549-E552 WeakPolarHBondContact O-CB 3.21Å; L549-E552 PolarHBondContact O-N 3.5Å; L549-E553 PolarHBondContact O-N 2.9Å
550	I	68.9	Low	64.2	Low	50 Å²	50	94.4 Å²	94.4	26%	0.256	50%	0.503	S	S	.	.	H	α-helix	trans	-69.7	-32	177	-62.9	166.4	0	0	0	111.2	L522 L525 R546 A547 S548 A554	L522-I550 HydrophobicContact CD2-CG2 3.95Å; L525-I550 HydrophobicContact CD2-CD1 4.29Å; R546-I550 WeakPolarHBondContact O-CD1 2.94Å; R546-I550 WeakPolarHBondContact O-CG1 3.37Å; A547-I550 PolarHBondContact O-N 2.84Å; A547-I550 VanDerWaalsContact O-N 3.15Å; S548-I550 VanDerWaalsContact C-N 3.33Å; S548-I550 PolarHBondContact O-N 3.07Å; I550-A554 WeakPolarHBondContact O-CB 2.9Å; I550-A554 PolarHBondContact O-N 2.87Å; I550-A554 VanDerWaalsContact O-N 3.11Å
551	I	67.9	Low	62.7	Low	65 Å²	65	96.5 Å²	96.5	33%	0.333	51%	0.506	S	S	.	.	H	α-helix	trans	-70.7	-34.9	173.2	-68.6	165.8	0	0	0	110.7	L522 Q526 A547 S548 L549 A554 N555	L522-I551 HydrophobicContact CD2-CG1 3.96Å; Q526-I551 HydrophobicContact CB-CD1 4.14Å; Q526-I551 HydrophobicContact CG-CD1 4.38Å; A547-I551 WeakPolarHBondContact O-CG1 3.25Å; A547-I551 PolarHBondContact O-N 2.68Å; S548-I551 WeakPolarHBondContact O-CB 3.46Å; S548-I551 PolarHBondContact O-N 3.48Å; L549-I551 VanDerWaalsContact C-N 3.33Å; I551-A554 WeakPolarHBondContact O-CB 3.32Å; I551-A554 PolarHBondContact O-N 3.19Å; I551-N555 PolarHBondContact O-N 2.85Å
552	E	60.2	Low	60.6	Low	123 Å²	123	97 Å²	97	58%	0.575	52%	0.522	S	S	*	.	H	α-helix	trans	-66.7	-47	176.7	-156.9	158.5	-138.9	0	0	111.4	S548 L549 A554 N555 I556	S548-E552 PolarHBondContact O-N 3.21Å; L549-E552 WeakPolarHBondContact O-CB 3.21Å; L549-E552 PolarHBondContact O-N 3.5Å; E552-A554 VanDerWaalsContact C-N 3.29Å; E552-A554 PolarHBondContact O-N 3.22Å; E552-N555 WeakPolarHBondContact O-CB 3.27Å; E552-N555 PolarHBondContact O-N 3.42Å; E552-N555 VanDerWaalsContact O-N 3.09Å; E552-I556 WeakPolarHBondContact O-CG1 3.38Å; E552-I556 PolarHBondContact O-N 3.47Å
553	E	60.3	Low	58.5	Low	133 Å²	133	96.8 Å²	96.8	62%	0.621	53%	0.529	S	S	*	.	H	α-helix	trans	-55.5	-42.2	169	-72.6	-169.9	139.8	0	0	112.5	L549 N555 I556 C557	L549-E553 PolarHBondContact O-N 2.9Å; E553-N555 PolarHBondContact O-N 2.73Å; E553-I556 PolarHBondContact O-N 3.05Å; E553-C557 WeakPolarHBondContact O-CB 3.25Å; E553-C557 PolarHBondContact O-N 2.73Å
554	A	59.2	Low	56.3	Low	24 Å²	24	99 Å²	99	20%	0.198	55%	0.546	C	S	.	.	H	α-helix	trans	-66.6	-24.1	179.6	0	0	0	0	0	113.3	Y518 L522 I550 I551 E552	Y518-A554 HydrophobicContact CE1-CB 4.39Å; Y518-A554 VanDerWaalsContact OH-CB 3.27Å; Y518-A554 WeakPolarHBondContact OH-CB 3.44Å; L522-A554 HydrophobicContact CD1-CB 4.14Å; I550-A554 WeakPolarHBondContact O-CB 2.9Å; I550-A554 PolarHBondContact O-N 2.87Å; I550-A554 VanDerWaalsContact O-N 3.11Å; I551-A554 WeakPolarHBondContact O-CB 3.32Å; I551-A554 PolarHBondContact O-N 3.19Å; E552-A554 VanDerWaalsContact C-N 3.29Å; E552-A554 PolarHBondContact O-N 3.22Å
555	N	53.8	Low	54	Low	121 Å²	121	105.8 Å²	105.8	65%	0.647	58%	0.581	S	S	*	*	H	α-helix	trans	-82.6	-47.2	176.8	-137.8	37.8	0	0	0	110.7	I551 E552 E553 C557 S558	I551-N555 PolarHBondContact O-N 2.85Å; E552-N555 WeakPolarHBondContact O-CB 3.27Å; E552-N555 PolarHBondContact O-N 3.42Å; E552-N555 VanDerWaalsContact O-N 3.09Å; E553-N555 PolarHBondContact O-N 2.73Å; N555-C557 PolarHBondContact O-N 3.04Å; N555-S558 WeakPolarHBondContact O-CB 3.4Å; N555-S558 PolarHBondContact O-N 2.85Å
556	I	51.8	Low	51.8	Low	127 Å²	127	103.1 Å²	103.1	65%	0.651	58%	0.583	S	S	*	*	H	α-helix	trans	-57.1	-37.8	176.5	-64.5	162.2	0	0	0	111	E552 E553 S558	E552-I556 WeakPolarHBondContact O-CG1 3.38Å; E552-I556 PolarHBondContact O-N 3.47Å; E553-I556 PolarHBondContact O-N 3.05Å; I556-S558 PolarHBondContact O-N 2.89Å
557	C	43.1	Very low	49.4	Very low	110 Å²	110	105.3 Å²	105.3	74%	0.743	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	7.6	177.2	-160	0	0	0	0	114.3	E553 N555	E553-C557 WeakPolarHBondContact O-CB 3.25Å; E553-C557 PolarHBondContact O-N 2.73Å; N555-C557 PolarHBondContact O-N 3.04Å
558	S	42.6	Very low	47.5	Very low	56 Å²	56	111.1 Å²	111.1	39%	0.392	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.7	-2.2	-179.5	-164.3	0	0	0	0	115.2	K515 N555 I556	K515-S558 PolarHBondContact NZ-OG 3.05Å; N555-S558 WeakPolarHBondContact O-CB 3.4Å; N555-S558 PolarHBondContact O-N 2.85Å; I556-S558 PolarHBondContact O-N 2.89Å
559	E	37.1	Very low	45.7	Very low	164 Å²	164	115.7 Å²	115.7	77%	0.766	66%	0.657	S	S	*	*	S	Bend	trans	-73.8	-32	-177.8	-63	-77.8	82.1	0	0	113	S561	E559-S561 PolarHBondContact O-N 3.2Å
560	D	39.3	Very low	43.9	Very low	158 Å²	158	117.4 Å²	117.4	85%	0.845	67%	0.667	S	S	*	*	S	Bend	trans	-79.5	48	-169.2	-164.6	22.4	0	0	0	114
561	S	43.5	Very low	42.2	Very low	118 Å²	118	121.7 Å²	121.7	83%	0.825	69%	0.69	S	S	*	*			trans	-162.3	51.5	177.7	-80.7	0	0	0	0	114	E559	E559-S561 PolarHBondContact O-N 3.2Å
562	S	35	Very low	40.6	Very low	108 Å²	108	125.4 Å²	125.4	76%	0.755	71%	0.711	S	S	*	*			trans	-139.6	102	161.2	-169.2	0	0	0	0	111.4
563	L	35.4	Very low	39.2	Very low	174 Å²	174	126.3 Å²	126.3	91%	0.911	72%	0.719	S	S	*	*			trans	-66.6	136.6	172.5	-67.2	169.5	0	0	0	110.7
564	S	34.5	Very low	38.4	Very low	121 Å²	121	124.9 Å²	124.9	85%	0.846	72%	0.722	S	S	*	*			trans	-127.1	117.9	158.7	-72	0	0	0	0	107.9
565	D	31.1	Very low	36.9	Very low	165 Å²	165	131.8 Å²	131.8	88%	0.882	75%	0.75	S	S	*	*			trans	-103.2	104.8	-176.5	170.3	27.1	0	0	0	109.4
566	A	30.8	Very low	35.7	Very low	80 Å²	80	131.2 Å²	131.2	66%	0.661	75%	0.751	S	S	*	*			trans	-170	132.7	166.9	0	0	0	0	0	112.2
567	L	31.9	Very low	34.6	Very low	162 Å²	162	132 Å²	132	85%	0.848	76%	0.762	S	S	*	*			trans	68.7	113.5	167.6	-48.1	-175.6	0	0	0	115
568	V	32.4	Very low	33.9	Very low	123 Å²	123	130.3 Å²	130.3	75%	0.745	76%	0.762	S	S	*	*				92.6	99.6	59.6	168.2	0	0	0	0	112.6
569	L	32.5	Very low	33.3	Very low	143 Å²	143	134.2 Å²	134.2	75%	0.749	78%	0.784	S	S	*	*			trans	57.7	151.4	147	-61.4	176.9	0	0	0	122
570	D	31.4	Very low	33.7	Very low	140 Å²	140	131.8 Å²	131.8	75%	0.749	78%	0.783	S	S	*	*			trans	64.9	147.5	159.9	-49.7	-27.9	0	0	0	117.7
571	D	33.3	Very low	33.1	Very low	140 Å²	140	130.6 Å²	130.6	75%	0.749	78%	0.781	S	S	*	*			cis	-159.9	-167	-30.8	-152.8	-82.2	0	0	0	107.7
572	D	33.4	Very low	32.6	Very low	144 Å²	144	134 Å²	134	77%	0.77	78%	0.782	S	S	*	*			trans	66.1	127.4	162.8	-88.4	-55.9	0	0	0	121.5
573	D	30.9	Very low	32.6	Very low	141 Å²	141	133.9 Å²	133.9	75%	0.754	78%	0.781	S	S	*	*			trans	-123	120.8	157.7	166.7	19.4	0	0	0	107.4	Q575	D573-Q575 PolarHBondContact OD1-N 2.83Å
574	P	44	Very low	33.2	Very low	104 Å²	104	131 Å²	131	68%	0.675	77%	0.772	S	S	*	*			trans	-147.4	124	130.4	32.6	-14.7	0	0	0	116.4
575	Q	26.5	Very low	33.1	Very low	168 Å²	168	132.2 Å²	132.2	79%	0.785	77%	0.774	S	S	*	*				53.1	130.2	124	-73.2	-160	25.3	0	0	123.8	D573	D573-Q575 PolarHBondContact OD1-N 2.83Å
576	V	29.4	Very low	33.1	Very low	110 Å²	110	128.6 Å²	128.6	67%	0.667	77%	0.767	S	S	*	*				96.3	142.7	125.4	161.1	0	0	0	0	121.6
577	T	28.8	Very low	33.2	Very low	144 Å²	144	130.3 Å²	130.3	88%	0.883	77%	0.774	S	S	*	*			trans	68.2	144	177	50.7	0	0	0	0	117.5
578	G	28.4	Very low	34.2	Very low	73 Å²	73	127.8 Å²	127.8	75%	0.753	77%	0.767	S	S	*	*			cis	-169.2	165.1	-5.2	0	0	0	0	0	114.4
579	T	30.2	Very low	34.2	Very low	139 Å²	139	130 Å²	130	85%	0.853	77%	0.77	S	S	*	*			trans	-93.3	-177.8	174.4	51.1	0	0	0	0	111
580	P	45.5	Very low	34.3	Very low	112 Å²	112	132.8 Å²	132.8	73%	0.727	78%	0.776	S	S	*	*			cis	-128	-172.1	-19.3	33.6	-14.3	0	0	0	113.1
581	T	25.7	Very low	34.2	Very low	133 Å²	133	129.5 Å²	129.5	82%	0.816	78%	0.775	S	S	*	*			trans	155.9	156.7	132.4	-64.9	0	0	0	0	112.2
582	F	32.6	Very low	34.2	Very low	191 Å²	191	131.1 Å²	131.1	84%	0.838	78%	0.782	S	S	*	*			trans	-121.6	147.3	-167.1	-102.1	-85.7	0	0	0	115.3
583	S	35.9	Very low	35.2	Very low	105 Å²	105	129.6 Å²	129.6	73%	0.734	78%	0.78	S	S	*	*			trans	68.8	152.4	152.2	-54.3	0	0	0	0	118.7
584	P	47.3	Very low	36.1	Very low	113 Å²	113	128.6 Å²	128.6	73%	0.734	78%	0.782	S	S	*	*				-155.5	159.4	89.6	40.4	-21.4	0	0	0	119.1
585	V	32.4	Very low	35.8	Very low	147 Å²	147	134.4 Å²	134.4	89%	0.891	79%	0.79	S	S	*	*			trans	71.6	145.6	141.5	163.5	0	0	0	0	118.6
586	A	31.7	Very low	36.9	Very low	88 Å²	88	131.9 Å²	131.9	73%	0.727	79%	0.788	S	S	*	*			cis	-143.8	169.4	14.4	0	0	0	0	0	115.3
587	S	32.2	Very low	37.7	Very low	116 Å²	116	132.1 Å²	132.1	81%	0.811	79%	0.792	S	S	*	*			trans	-134.9	170.8	163.3	-50.8	0	0	0	0	111.1
588	P	54.5	Low	38	Very low	109 Å²	109	129.5 Å²	129.5	71%	0.708	78%	0.779	S	S	*	*			trans	-137.3	159.8	144.1	39.1	-26.2	0	0	0	112.8
589	H	31.7	Very low	38.3	Very low	171 Å²	171	134.6 Å²	134.6	79%	0.792	78%	0.783	S	S	*	*			cis	-141.8	163.3	9.4	-82.1	-65.7	0	0	0	113.6
590	K	33.9	Very low	38.5	Very low	201 Å²	201	133.1 Å²	133.1	87%	0.874	78%	0.779	S	S	*	*			trans	-8.3	148.8	156.2	-49.9	174.3	179.9	-180	0	119.9
591	G	30.7	Very low	37.8	Very low	71 Å²	71	138.3 Å²	138.3	73%	0.732	78%	0.784	S	S	*	*			cis	153	140.1	-13.5	0	0	0	0	0	117.9
592	L	32.4	Very low	38.7	Very low	173 Å²	173	137.1 Å²	137.1	91%	0.906	78%	0.778	S	S	*	*			trans	75.6	176.4	153.5	-50.2	179.8	0	0	0	118.7
593	P	54.2	Low	39.9	Very low	112 Å²	112	133.4 Å²	133.4	73%	0.727	77%	0.773	S	S	*	*				-139.9	-147.1	-95.5	46.2	-24.8	0	0	0	112.8
594	P	50.4	Low	40.3	Very low	120 Å²	120	134.1 Å²	134.1	78%	0.779	78%	0.775	S	S	*	*			cis	-124.8	-179.2	-32.4	34.2	-15.3	0	0	0	114.9
595	R	37.8	Very low	40.9	Very low	227 Å²	227	134.1 Å²	134.1	86%	0.857	78%	0.775	S	S	*	*			trans	-74.4	162	168.4	-140.1	-172.8	179.1	179.9	0.2	112
596	P	48.4	Very low	41.1	Very low	114 Å²	114	136.5 Å²	136.5	74%	0.74	78%	0.777	S	S	*	*				-155.9	-155.1	82.1	44.1	-23.5	0	0	0	112.9
597	P	47.8	Very low	41.6	Very low	116 Å²	116	137 Å²	137	75%	0.753	78%	0.775	S	S	*	*			cis	-118.3	-143.3	-27.3	27	-3.5	0	0	0	113
598	S	33.8	Very low	42.1	Very low	88 Å²	88	138.9 Å²	138.9	62%	0.615	78%	0.775	S	S	*	*			trans	-146	-170.1	-153.7	45.4	0	0	0	0	116.6
599	H	36.5	Very low	41	Very low	180 Å²	180	140.4 Å²	140.4	83%	0.833	78%	0.777	S	S	*	*			trans	94.4	144.2	166.8	-51.4	-68.9	0	0	0	117.4
600	S	34	Very low	41.1	Very low	108 Å²	108	134.8 Å²	134.8	76%	0.755	77%	0.766	S	S	*	*			cis	-144.9	-162.7	-1.3	55.2	0	0	0	0	109.7
601	R	30.6	Very low	41.3	Very low	221 Å²	221	131.9 Å²	131.9	83%	0.834	76%	0.759	S	S	*	*			cis	-159.4	162.7	9.5	-154.3	173.6	-176.6	-81.5	1.8	110.4
602	P	44.9	Very low	41.6	Very low	108 Å²	108	137.7 Å²	137.7	70%	0.701	76%	0.759	S	S	*	*			trans	-122.9	-142.2	-166.9	40.9	-21.3	0	0	0	116
603	P	56.8	Low	41.4	Very low	113 Å²	113	138.2 Å²	138.2	73%	0.734	76%	0.756	S	S	*	*				-120.8	-147	-125.1	40.7	-16.7	0	0	0	113
604	P	45.6	Very low	40.4	Very low	120 Å²	120	139.5 Å²	139.5	78%	0.779	75%	0.754	S	S	*	*			cis	-130.4	-100.4	-3.7	24.9	4.8	0	0	0	120.3
605	P	59.7	Low	39.5	Very low	113 Å²	113	140.9 Å²	140.9	73%	0.734	75%	0.75	S	S	*	*			trans	-135.9	175.3	-135.9	43.5	-23.2	0	0	0	119.7
606	Q	35.9	Very low	39.2	Very low	197 Å²	197	139.4 Å²	139.4	92%	0.921	75%	0.746	S	S	*	*			trans	-161	-167.4	160.9	-116.7	167.2	20.4	0	0	115.5
607	S	41	Very low	38.4	Very low	100 Å²	100	140 Å²	140	70%	0.699	75%	0.747	S	S	*	*			trans	-146.8	159.3	-141.2	57.9	0	0	0	0	120.6
608	L	43	Very low	37.5	Very low	154 Å²	154	145.6 Å²	145.6	81%	0.806	75%	0.754	S	S	*	*			trans	63.8	160.1	155.4	-74.2	164.1	0	0	0	118.7
609	D	32.8	Very low	37.3	Very low	141 Å²	141	145.9 Å²	145.9	75%	0.754	76%	0.755	S	S	*	*			cis	-132.6	171.4	12.5	-95.7	-55.2	0	0	0	112
610	G	32.1	Very low	37.2	Very low	53 Å²	53	143.2 Å²	143.2	55%	0.546	75%	0.748	S	S	.	*			cis	168.3	149.3	-7.2	0	0	0	0	0	114.7
611	L	39.8	Very low	37.2	Very low	140 Å²	140	148.1 Å²	148.1	73%	0.733	75%	0.751	S	S	*	*			trans	59.7	135.8	153.6	-77.8	80.5	0	0	0	121
612	R	35.8	Very low	37.4	Very low	194 Å²	194	142.5 Å²	142.5	73%	0.732	74%	0.738	S	S	*	*			cis	-152.8	-164.8	-13.6	-73.6	-160.6	177.3	-174.9	-1.7	106.9
613	H	29.6	Very low	36.9	Very low	183 Å²	183	145.6 Å²	145.6	85%	0.847	74%	0.74	S	S	*	*			cis	-149.2	-153.3	8.4	-138.5	107.1	0	0	0	110.5
614	M	32	Very low	36.4	Very low	139 Å²	139	145.6 Å²	145.6	69%	0.685	74%	0.743	S	S	*	*			trans	-156.5	155.5	-151.6	-93.5	-57.3	-167.6	0	0	120.9
615	H	32.3	Very low	36.4	Very low	149 Å²	149	145.7 Å²	145.7	69%	0.69	74%	0.743	S	S	*	*			trans	64.6	153.5	147.3	-67.5	-45.4	0	0	0	121.8
616	Y	31	Very low	35.3	Very low	196 Å²	196	147.7 Å²	147.7	77%	0.769	75%	0.746	S	S	*	*			cis	-173.8	179.6	-29.4	-141.8	-110.4	0	0	0	110.8
617	T	31.2	Very low	35.1	Very low	126 Å²	126	144.4 Å²	144.4	77%	0.773	73%	0.729	S	S	*	*			trans	67.1	153.5	166	52.1	0	0	0	0	120.3
618	R	28.7	Very low	34.9	Very low	235 Å²	235	144.8 Å²	144.8	89%	0.887	73%	0.729	S	S	*	*			cis	-165.9	160.3	-12.9	168.3	176.2	-176.4	-175.9	1.8	111.9
619	S	30.5	Very low	34.4	Very low	93 Å²	93	145.7 Å²	145.7	65%	0.65	73%	0.726	S	S	*	*			trans	-41.6	171	172	-111.9	0	0	0	0	120
620	D	33.4	Very low	35.2	Very low	125 Å²	125	147.4 Å²	147.4	67%	0.668	73%	0.732	S	S	*	*			cis	-157.7	165	22.7	-94.8	-43.4	0	0	0	115.1
621	Y	35.5	Very low	35.9	Very low	210 Å²	210	155.9 Å²	155.9	82%	0.824	75%	0.748	S	S	*	*			trans	23.3	153.3	150.3	-75.8	-85.3	0	0	0	124.2
622	D	32.8	Very low	35.9	Very low	104 Å²	104	152.2 Å²	152.2	56%	0.556	73%	0.733	S	S	*	*			cis	-158.6	159.7	-2.2	-168.5	13.9	0	0	0	111.7
623	K	36	Very low	35.4	Very low	172 Å²	172	147.8 Å²	147.8	75%	0.748	72%	0.721	S	S	*	*			trans	35.1	135.2	166.1	-74.5	150.7	-161	138.9	0	122.5
624	S	45.7	Very low	35.4	Very low	114 Å²	114	144.1 Å²	144.1	80%	0.797	72%	0.716	S	S	*	*				175.3	104	-58.1	-82.8	0	0	0	0	112.5
625	P	45.1	Very low	35.2	Very low	122 Å²	122	142.7 Å²	142.7	79%	0.792	72%	0.72	S	S	*	*			trans	-130.5	143.2	-174.4	38	-22.8	0	0	0	119.8
626	I	37.1	Very low	35	Very low	154 Å²	154	143.7 Å²	143.7	79%	0.79	73%	0.729	S	S	*	*			trans	45.7	101.6	144.6	-55.1	172.3	0	0	0	121.7
627	K	30.8	Very low	34.9	Very low	129 Å²	129	140.9 Å²	140.9	56%	0.561	73%	0.727	S	S	*	*				21.2	158.9	129.4	-24.3	-164.3	158.7	-72	0	122.4	E633	K627-E633 VanDerWaalsContact CB-OE2 3.29Å; K627-E633 WeakPolarHBondContact CB-OE2 3.36Å; K627-E633 WeakPolarHBondContact CD-OE2 3.35Å; K627-E633 WeakPolarHBondContact CG-OE2 3.39Å; K627-E633 IonicContact NZ-OE1 2.69Å; K627-E633 PolarHBondContact NZ-OE1 2.8Å; K627-E633 IonicContact NZ-OE2 3.53Å; K627-E633 PolarHBondContact NZ-OE2 2.96Å
628	P	38.2	Very low	35.5	Very low	107 Å²	107	143.5 Å²	143.5	70%	0.695	73%	0.731	S	S	*	*			cis	-143.9	176	6.3	45.4	-27.2	0	0	0	118.4
629	K	31.1	Very low	36.5	Very low	174 Å²	174	137.5 Å²	137.5	76%	0.757	72%	0.722	S	S	*	*			trans	62.4	35.8	147.1	-136.5	175.5	-172.3	176	0	122.4	S632	K629-S632 WeakPolarHBondContact CA-OG 3.32Å; K629-S632 VanDerWaalsContact N-CB 3.31Å; K629-S632 PolarHBondContact N-OG 2.93Å
630	M	50.8	Low	36.7	Very low	176 Å²	176	143.3 Å²	143.3	87%	0.867	73%	0.732	S	S	*	*	S	Bend	trans	-129	79.1	144.5	-81.8	-164.1	70.9	0	0	112.9	S632	M630-S632 PolarHBondContact N-OG 2.8Å; M630-S632 VanDerWaalsContact N-OG 3.14Å
631	W	46.5	Very low	36.7	Very low	232 Å²	232	143.5 Å²	143.5	88%	0.879	73%	0.728	S	S	*	*	S	Bend	cis	-130.4	18.3	-18.3	19.4	-24.4	0	0	0	115.5
632	S	40.1	Very low	36.6	Very low	62 Å²	62	141.3 Å²	141.3	43%	0.434	72%	0.723	S	S	.	*				70.4	111.5	123.9	-51.4	0	0	0	0	121	K629 M630	K629-S632 WeakPolarHBondContact CA-OG 3.32Å; K629-S632 VanDerWaalsContact N-CB 3.31Å; K629-S632 PolarHBondContact N-OG 2.93Å; M630-S632 PolarHBondContact N-OG 2.8Å; M630-S632 VanDerWaalsContact N-OG 3.14Å
633	E	24.8	Very low	36.4	Very low	102 Å²	102	141.7 Å²	141.7	48%	0.477	73%	0.729	S	S	.	*			trans	77.1	166.2	138.2	-58.2	-178	99.6	0	0	121.2	K627	K627-E633 VanDerWaalsContact CB-OE2 3.29Å; K627-E633 WeakPolarHBondContact CB-OE2 3.36Å; K627-E633 WeakPolarHBondContact CD-OE2 3.35Å; K627-E633 WeakPolarHBondContact CG-OE2 3.39Å; K627-E633 IonicContact NZ-OE1 2.69Å; K627-E633 PolarHBondContact NZ-OE1 2.8Å; K627-E633 IonicContact NZ-OE2 3.53Å; K627-E633 PolarHBondContact NZ-OE2 2.96Å
634	S	30	Very low	36.2	Very low	105 Å²	105	142.6 Å²	142.6	73%	0.734	73%	0.733	S	S	*	*			trans	69.2	133.6	179.8	53.9	0	0	0	0	116.2
635	S	28.8	Very low	35.4	Very low	110 Å²	110	147.3 Å²	147.3	77%	0.769	74%	0.739	S	S	*	*			cis	96.4	137.5	11.9	-51.3	0	0	0	0	117.6
636	L	26.5	Very low	34.6	Very low	170 Å²	170	152.9 Å²	152.9	89%	0.89	74%	0.744	S	S	*	*			trans	82.3	147.9	153.7	-78.3	166.8	0	0	0	121.7
637	D	29.4	Very low	34.1	Very low	136 Å²	136	150.5 Å²	150.5	73%	0.727	74%	0.741	S	S	*	*			trans	-64.9	146.9	164	-66.1	-61.6	0	0	0	112.5
638	E	43.4	Very low	34	Very low	181 Å²	181	148.4 Å²	148.4	85%	0.846	74%	0.743	S	S	*	*			trans	53.4	175.4	138.4	-67.9	-154.5	153.3	0	0	120.6
639	P	49.9	Very low	33.6	Very low	109 Å²	109	152.1 Å²	152.1	71%	0.708	75%	0.751	S	S	*	*			cis	-126.3	-178.4	-33.5	24.8	-3.3	0	0	0	113.2
640	Y	34.9	Very low	33.6	Very low	216 Å²	216	148.3 Å²	148.3	85%	0.847	75%	0.746	S	S	*	*			trans	30.5	121	148.7	-110.4	-125.4	0	0	0	121.7
641	E	33.4	Very low	32.6	Very low	128 Å²	128	145.4 Å²	145.4	60%	0.598	74%	0.743	S	S	*	*				171.3	143.7	100	-90.8	-139.1	119.7	0	0	116.6
642	K	32.6	Very low	31.8	Very low	164 Å²	164	143.2 Å²	143.2	71%	0.713	74%	0.742	S	S	*	*			trans	61.3	145.5	145	-70.9	174.9	178.4	138	0	119.7
643	V	29.8	Very low	31.3	Very low	113 Å²	113	150.5 Å²	150.5	69%	0.685	76%	0.76	S	S	*	*			cis	-159.3	152.9	-3.6	103.8	0	0	0	0	112.3
644	K	30.4	Very low	31.5	Very low	191 Å²	191	156.6 Å²	156.6	83%	0.83	78%	0.779	S	S	*	*			trans	44.7	125.6	163.4	-65.7	171.1	-178.8	170	0	118.1
645	K	30	Very low	31.4	Very low	213 Å²	213	160.3 Å²	160.3	93%	0.926	78%	0.782	S	S	*	*				-163.3	-173.6	69.5	-129.7	169.4	-174.5	176	0	113
646	R	27.2	Very low	32.1	Very low	239 Å²	239	160.6 Å²	160.6	90%	0.902	78%	0.781	S	S	*	*			trans	-93.3	143.3	-167.2	-69.1	179.9	172.8	176	-3.2	115.6
647	S	27.5	Very low	32.2	Very low	104 Å²	104	158 Å²	158	73%	0.727	78%	0.777	S	S	*	*			trans	78.6	143.2	131.8	-167.5	0	0	0	0	122.8
648	S	29.6	Very low	32.2	Very low	85 Å²	85	157.2 Å²	157.2	59%	0.594	78%	0.783	S	S	*	*			trans	78.9	116.3	145.2	29.5	0	0	0	0	121.8
649	H	29.8	Very low	31.3	Very low	184 Å²	184	152 Å²	152	85%	0.852	78%	0.777	S	S	*	*			trans	68.3	152.8	153.9	-52.1	-55.5	0	0	0	118.4
650	S	29.5	Very low	30.3	Very low	94 Å²	94	152.8 Å²	152.8	66%	0.657	79%	0.785	S	S	*	*			cis	-170.6	150.5	-28.1	54.8	0	0	0	0	111.1
651	S	30.6	Very low	30	Very low	115 Å²	115	146.6 Å²	146.6	80%	0.804	78%	0.779	S	S	*	*			trans	70.4	129	153.8	-55.8	0	0	0	0	119.4
652	H	30.6	Very low	29.7	Very low	186 Å²	186	149.5 Å²	149.5	86%	0.861	79%	0.792	S	S	*	*			trans	-80.6	155.2	178.1	-88.5	-130	0	0	0	114.6
653	R	28.6	Very low	29.5	Very low	215 Å²	215	146.7 Å²	146.7	81%	0.811	80%	0.799	S	S	*	*			trans	-18.2	147	156.9	-61.6	176.8	174.3	-128.8	-0.4	118.6
654	R	28.2	Very low	29.4	Very low	231 Å²	231	145.2 Å²	145.2	87%	0.872	81%	0.807	S	S	*	*			trans	-73.4	163.5	159	-43	169.8	-169.4	155.1	1.5	111.1
655	F	28.3	Very low	29.2	Very low	183 Å²	183	139.5 Å²	139.5	80%	0.803	80%	0.803	S	S	*	*			trans	-133.7	163	137.4	-83.8	-79.6	0	0	0	109.6
656	P	43.5	Very low	29.2	Very low	116 Å²	116	134.6 Å²	134.6	75%	0.753	80%	0.795	S	S	*	*			trans	-114.8	-171.3	-155.4	13.4	12	0	0	0	113
657	S	28.5	Very low	29.3	Very low	114 Å²	114	130 Å²	130	80%	0.797	79%	0.788	S	S	*	*			cis	176.4	178.5	-30.2	-174.7	0	0	0	0	108.5
658	S	28.8	Very low	29.2	Very low	121 Å²	121	129.7 Å²	129.7	85%	0.846	79%	0.786	S	S	*	*			trans	83.1	131.8	179.7	-155.8	0	0	0	0	114.2
659	G	25.9	Very low	29.2	Very low	70 Å²	70	132.3 Å²	132.3	72%	0.722	79%	0.793	S	S	*	*			cis	178.6	-177.4	-2.8	0	0	0	0	0	108.7
660	S	29.5	Very low	29.1	Very low	126 Å²	126	131.6 Å²	131.6	88%	0.881	79%	0.79	S	S	*	*			cis	-159	166.3	-19.4	-166.4	0	0	0	0	107.2
661	A	26.7	Very low	28.9	Very low	87 Å²	87	132.6 Å²	132.6	72%	0.719	80%	0.797	S	S	*	*			trans	-153.4	139.4	173.1	0	0	0	0	0	111.2
662	E	28.5	Very low	28.9	Very low	189 Å²	189	132.5 Å²	132.5	88%	0.883	80%	0.796	S	S	*	*			trans	166.4	131.7	150.7	-95.7	-68.3	127.9	0	0	109.8
663	A	27.8	Very low	29.9	Very low	104 Å²	104	128.5 Å²	128.5	86%	0.86	79%	0.787	S	S	*	*			trans	-164.9	138.8	155.5	0	0	0	0	0	107.1
664	G	26.8	Very low	30	Very low	82 Å²	82	125.8 Å²	125.8	85%	0.845	79%	0.787	S	S	*	*			trans	-128.4	162.3	-172.9	0	0	0	0	0	114.2
665	G	27.7	Very low	30	Very low	72 Å²	72	125.5 Å²	125.5	74%	0.742	79%	0.786	S	S	*	*			trans	177.2	119.1	173.6	0	0	0	0	0	115.7
666	S	30.4	Very low	29.9	Very low	109 Å²	109	120.5 Å²	120.5	76%	0.762	77%	0.773	S	S	*	*			trans	60.6	127	137.9	-52.4	0	0	0	0	123.4
667	N	27.8	Very low	29.1	Very low	143 Å²	143	120.9 Å²	120.9	77%	0.765	77%	0.774	S	S	*	*				51.1	122.3	126.7	-59.5	-5.5	0	0	0	120.1
668	S	26.4	Very low	30	Very low	98 Å²	98	120.3 Å²	120.3	69%	0.685	77%	0.768	S	S	*	*				59.5	136	77.9	81.4	0	0	0	0	114.2
669	L	28.5	Very low	30.1	Very low	139 Å²	139	121.9 Å²	121.9	73%	0.728	76%	0.761	S	S	*	*			cis	-149.7	152	36.7	-75.3	162.3	0	0	0	115.6
670	Q	27.9	Very low	30.2	Very low	169 Å²	169	129.2 Å²	129.2	79%	0.79	77%	0.767	S	S	*	*			trans	24.1	129.8	135.6	-54.1	172.8	-6.1	0	0	122.6
671	S	26.3	Very low	30	Very low	116 Å²	116	129.8 Å²	129.8	81%	0.811	76%	0.761	S	S	*	*				-172.7	106	115.6	27	0	0	0	0	115.1
672	S	30.7	Very low	30.3	Very low	112 Å²	112	130.1 Å²	130.1	78%	0.783	76%	0.757	S	S	*	*				24.2	159.7	120	-54.4	0	0	0	0	122.9
673	P	50.7	Low	30.3	Very low	103 Å²	103	130 Å²	130	67%	0.669	76%	0.757	S	S	*	*			cis	-150.1	174.7	-35.1	42.7	-25	0	0	0	116.7
674	I	31.3	Very low	30.5	Very low	158 Å²	158	130 Å²	130	81%	0.81	75%	0.751	S	S	*	*			trans	56.9	127	138.9	-71.8	165.4	0	0	0	119.3
675	R	28.8	Very low	30.8	Very low	224 Å²	224	131.8 Å²	131.8	85%	0.845	75%	0.75	S	S	*	*				-168	138.1	81.7	-141.9	-174	-165.3	-119.9	4.4	117
676	S	25.2	Very low	31.1	Very low	78 Å²	78	136.7 Å²	136.7	55%	0.545	76%	0.756	S	S	.	*			trans	41.9	108.5	144.1	65.2	0	0	0	0	124.2
677	T	27	Very low	32.2	Very low	125 Å²	125	136.7 Å²	136.7	77%	0.767	75%	0.753	S	S	*	*				4.8	150.2	111.3	51.4	0	0	0	0	119.1
678	P	48.3	Very low	32.3	Very low	102 Å²	102	134.8 Å²	134.8	66%	0.662	75%	0.751	S	S	*	*				-155.3	161	57.6	36.8	-13.7	0	0	0	121.9
679	H	29.6	Very low	32.8	Very low	154 Å²	154	136.5 Å²	136.5	71%	0.713	76%	0.758	S	S	*	*			trans	42	151.9	144.5	-48.1	-44.6	0	0	0	122.2
680	W	27.8	Very low	33.9	Very low	223 Å²	223	136.3 Å²	136.3	85%	0.845	76%	0.764	S	S	*	*			cis	-135.5	-152.5	2.9	-92	118	0	0	0	108.4
681	N	25.3	Very low	34	Very low	139 Å²	139	135 Å²	135	74%	0.743	76%	0.763	S	S	*	*			cis	-156.7	-167.8	2.5	-151.1	-18	0	0	0	112.4
682	S	32.8	Very low	34.3	Very low	93 Å²	93	135.8 Å²	135.8	65%	0.65	76%	0.757	S	S	*	*			trans	-94.1	-174.2	176.4	-48.9	0	0	0	0	112.4
683	Q	29.8	Very low	34.3	Very low	188 Å²	188	141.4 Å²	141.4	88%	0.879	76%	0.762	S	S	*	*			cis	-159.7	-150.2	20.3	-145.8	158.6	35.7	0	0	113.5
684	S	32.5	Very low	33.3	Very low	104 Å²	104	144 Å²	144	73%	0.727	78%	0.776	S	S	*	*			trans	-127.4	174.5	-155	59	0	0	0	0	117.7
685	S	31.2	Very low	33.2	Very low	119 Å²	119	147.8 Å²	147.8	83%	0.832	78%	0.78	S	S	*	*			trans	137	-179.4	139.2	71.5	0	0	0	0	119.3
686	M	36.1	Very low	33.2	Very low	175 Å²	175	143 Å²	143	86%	0.862	78%	0.776	S	S	*	*			trans	-143.3	-162.1	-176.9	-41.7	173.4	67.9	0	0	108.8
687	P	52.6	Low	34.1	Very low	108 Å²	108	144.4 Å²	144.4	70%	0.701	78%	0.783	S	S	*	*			cis	-138.4	178.3	-27.5	40	-20.9	0	0	0	116.6
688	S	29.5	Very low	34.2	Very low	103 Å²	103	146.9 Å²	146.9	72%	0.72	79%	0.785	S	S	*	*			trans	50.5	122.7	145.6	-57.2	0	0	0	0	128.2
689	T	37	Very low	33.5	Very low	135 Å²	135	150.6 Å²	150.6	83%	0.828	79%	0.787	S	S	*	*			trans	65	164.2	140.1	52.5	0	0	0	0	121
690	P	52.5	Low	33.5	Very low	134 Å²	134	149 Å²	149	87%	0.87	79%	0.788	S	S	*	*			cis	-134.9	-120.3	19.9	42.1	-19	0	0	0	118.6
691	D	29.3	Very low	33.6	Very low	141 Å²	141	144.6 Å²	144.6	75%	0.754	78%	0.777	S	S	*	*			trans	-137.4	172.9	-139.9	-177.5	32.1	0	0	0	116.9
692	L	33.2	Very low	33.7	Very low	133 Å²	133	143.9 Å²	143.9	70%	0.696	78%	0.782	S	S	*	*			trans	111.1	106.2	157.3	-65.2	173.9	0	0	0	122.3
693	R	30.6	Very low	33.6	Very low	231 Å²	231	144.9 Å²	144.9	87%	0.872	79%	0.785	S	S	*	*			trans	30	131.2	136.9	-65.4	179.4	172.3	174.9	-2.1	122.7
694	T	29.6	Very low	33.7	Very low	157 Å²	157	147.9 Å²	147.9	96%	0.963	79%	0.788	S	S	*	*			trans	-148.8	-172	137.9	-4.5	0	0	0	0	112.6
695	R	28.6	Very low	33.6	Very low	238 Å²	238	148.1 Å²	148.1	90%	0.898	79%	0.789	S	S	*	*			trans	-118.7	164	-151.2	-146.6	-178.5	-173.6	-167.5	2.1	115.4
696	T	29.3	Very low	33.5	Very low	124 Å²	124	148.3 Å²	148.3	76%	0.761	79%	0.785	S	S	*	*			trans	-67.9	167.5	177.4	-5.8	0	0	0	0	115.7
697	P	44	Very low	33	Very low	106 Å²	106	146.1 Å²	146.1	69%	0.688	78%	0.777	S	S	*	*				-135.6	143.4	129.4	31.9	-16.5	0	0	0	116.5
698	H	29.3	Very low	31.9	Very low	177 Å²	177	147.8 Å²	147.8	82%	0.819	78%	0.779	S	S	*	*			trans	20.4	129.2	151.8	-50.6	-71.5	0	0	0	122.6
699	Y	33.2	Very low	31.7	Very low	180 Å²	180	148.1 Å²	148.1	71%	0.706	78%	0.781	S	S	*	*				78.5	125.4	68.8	-138.6	-116.9	0	0	0	112.6	H701	Y699-H701 AromaticContact CE1-NE2 3.64Å; Y699-H701 AromaticContact CZ-CE1 3.64Å; Y699-H701 AromaticContact CZ-NE2 3.59Å; Y699-H701 PolarHBondContact OH-CE1 3.39Å; Y699-H701 PolarHBondContact OH-NE2 3.1Å; Y699-H701 VanDerWaalsContact OH-NE2 3.11Å
700	V	29.5	Very low	32.4	Very low	120 Å²	120	146.9 Å²	146.9	73%	0.727	78%	0.775	S	S	*	*				-157.8	157.2	72.5	162.4	0	0	0	0	113.1
701	H	30.3	Very low	31.3	Very low	132 Å²	132	147.8 Å²	147.8	61%	0.611	78%	0.778	S	S	*	*			trans	-34.4	151.4	176.3	-50.8	-68.3	0	0	0	122.4	Y699	Y699-H701 AromaticContact CE1-NE2 3.64Å; Y699-H701 AromaticContact CZ-CE1 3.64Å; Y699-H701 AromaticContact CZ-NE2 3.59Å; Y699-H701 PolarHBondContact OH-CE1 3.39Å; Y699-H701 PolarHBondContact OH-NE2 3.1Å; Y699-H701 VanDerWaalsContact OH-NE2 3.11Å
702	S	26.1	Very low	31.3	Very low	123 Å²	123	151.8 Å²	151.8	86%	0.86	78%	0.783	S	S	*	*				-152.4	174.2	108.5	-162.1	0	0	0	0	111.4
703	T	31.2	Very low	30.9	Very low	114 Å²	114	151.8 Å²	151.8	70%	0.699	78%	0.783	S	S	*	*			trans	-125	138.6	-162.7	62.6	0	0	0	0	115.3
704	R	31.3	Very low	30.7	Very low	252 Å²	252	148.7 Å²	148.7	95%	0.951	78%	0.778	S	S	*	*				175.4	162.1	122.5	-95.9	174.4	-177.3	-163.6	0.1	111.3
705	S	30.1	Very low	30.4	Very low	108 Å²	108	146.4 Å²	146.4	76%	0.755	77%	0.769	S	S	*	*			trans	-128.4	156	179.6	53.8	0	0	0	0	110.5
706	V	29.3	Very low	30.4	Very low	124 Å²	124	142.7 Å²	142.7	75%	0.752	77%	0.766	S	S	*	*			trans	165.2	148.2	144.4	151.3	0	0	0	0	111.4
707	D	26.1	Very low	30.4	Very low	129 Å²	129	140.9 Å²	140.9	69%	0.69	76%	0.758	S	S	*	*			trans	58.4	107.1	161.3	-64.8	-9.6	0	0	0	125.7
708	I	29.8	Very low	29.9	Very low	142 Å²	142	144.2 Å²	144.2	73%	0.728	77%	0.765	S	S	*	*				56.8	106.6	103.6	-62.8	168.5	0	0	0	120.3
709	S	26.1	Very low	30	Very low	111 Å²	111	143.2 Å²	143.2	78%	0.776	76%	0.76	S	S	*	*			trans	61.3	177.6	140.1	-68.6	0	0	0	0	120.4
710	P	50	Low	29.7	Very low	108 Å²	108	143.5 Å²	143.5	70%	0.701	77%	0.765	S	S	*	*			cis	-122.6	-178.7	-28.8	34.1	-18.4	0	0	0	112.3
711	T	29.8	Very low	29.8	Very low	153 Å²	153	148 Å²	148	94%	0.939	77%	0.769	S	S	*	*				177.3	-176.5	126.3	30.3	0	0	0	0	113.8
712	R	29.1	Very low	29.9	Very low	225 Å²	225	147.1 Å²	147.1	85%	0.849	77%	0.769	S	S	*	*			trans	-123.3	159.4	-160.7	-105.7	-174.5	-178	-172.5	1.8	112.2
713	L	25.4	Very low	30.2	Very low	134 Å²	134	151.7 Å²	151.7	70%	0.702	77%	0.767	S	S	*	*			trans	79.3	138.6	148.6	-70.5	161.2	0	0	0	122.1
714	H	26.1	Very low	30.5	Very low	165 Å²	165	151 Å²	151	76%	0.764	77%	0.767	S	S	*	*			trans	62.4	122.4	149.6	-76.3	-61.2	0	0	0	124.2
715	S	24.2	Very low	30.4	Very low	109 Å²	109	144.7 Å²	144.7	76%	0.762	76%	0.761	S	S	*	*				71.8	137.2	126.5	-151.3	0	0	0	0	121.2
716	L	27.8	Very low	30.5	Very low	161 Å²	161	144.3 Å²	144.3	84%	0.843	76%	0.759	S	S	*	*			trans	-121.4	106.9	168.9	-72.4	169.1	0	0	0	107
717	S	30.3	Very low	30.9	Very low	85 Å²	85	145 Å²	145	59%	0.594	76%	0.757	S	S	*	*				66.2	101.6	87	71.1	0	0	0	0	112.8
718	Q	31.9	Very low	31.5	Very low	177 Å²	177	146.8 Å²	146.8	83%	0.827	76%	0.762	S	S	*	*				56.7	130.7	65.3	-73.6	-160	-7.8	0	0	116.6
719	H	32.6	Very low	31.7	Very low	156 Å²	156	145.1 Å²	145.1	72%	0.722	76%	0.763	S	S	*	*				-172.3	162.2	128	-78.9	-29.4	0	0	0	107.4
720	F	27.1	Very low	31.9	Very low	186 Å²	186	148.7 Å²	148.7	82%	0.816	77%	0.767	S	S	*	*			cis	-141.4	169.6	24.2	-93.6	-82	0	0	0	115.1
721	R	32	Very low	31.1	Very low	213 Å²	213	146.9 Å²	146.9	80%	0.804	77%	0.768	S	S	*	*			trans	-39.7	168.6	168.8	-72.6	175.7	174.5	179.6	-2.8	117.8
722	N	30.9	Very low	31.4	Very low	115 Å²	115	148.3 Å²	148.3	62%	0.615	76%	0.761	S	S	*	*			cis	-166.6	143.1	26.6	-131.6	1.6	0	0	0	114.9
723	R	33.5	Very low	31.4	Very low	219 Å²	219	143.8 Å²	143.8	83%	0.826	75%	0.754	S	S	*	*			trans	52.6	146.3	141.1	-68.1	-179.2	176.3	-165.4	-5.3	122.3
724	S	36.5	Very low	31.5	Very low	99 Å²	99	144.2 Å²	144.2	69%	0.692	76%	0.756	S	S	*	*			cis	-170.2	166.5	-1.5	-101	0	0	0	0	113.6
725	S	30.4	Very low	31.5	Very low	119 Å²	119	140.5 Å²	140.5	83%	0.832	75%	0.754	S	S	*	*			trans	77.4	153.6	163.7	88	0	0	0	0	119
726	S	32.3	Very low	31.7	Very low	101 Å²	101	140.6 Å²	140.6	71%	0.706	75%	0.754	S	S	*	*			cis	-152.5	154.7	0.6	-149.8	0	0	0	0	115.3
727	L	38.1	Very low	31.7	Very low	137 Å²	137	140 Å²	140	72%	0.717	75%	0.752	S	S	*	*			trans	25.8	135.3	156.2	-65.1	170.9	0	0	0	125.5
728	E	37.1	Very low	33	Very low	168 Å²	168	141 Å²	141	79%	0.785	76%	0.756	S	S	*	*			trans	66.9	152	137.5	-68.3	175.5	104.7	0	0	120.8
729	S	35.3	Very low	32.8	Very low	107 Å²	107	140 Å²	140	75%	0.748	76%	0.757	S	S	*	*			cis	-140.4	-168.5	12.9	69.5	0	0	0	0	114.9
730	Q	29	Very low	32.6	Very low	185 Å²	185	137.2 Å²	137.2	86%	0.864	76%	0.761	S	S	*	*			trans	-45.4	156.5	-175.8	-55.8	164.8	9.3	0	0	115.6
731	G	33.4	Very low	32.6	Very low	70 Å²	70	137.1 Å²	137.1	72%	0.722	76%	0.762	S	S	*	*			cis	95.6	145.2	17.8	0	0	0	0	0	112.4
732	K	35.5	Very low	33.7	Very low	183 Å²	183	131.4 Å²	131.4	80%	0.796	75%	0.753	S	S	*	*			cis	-176.6	169.2	-1	-158.5	-172.3	176.4	-172.8	0	109.4
733	L	29.9	Very low	33.5	Very low	131 Å²	131	133.9 Å²	133.9	69%	0.686	76%	0.761	S	S	*	*			trans	74	151.3	158.7	-57.9	-177.7	0	0	0	117.6
734	L	26.7	Very low	33.3	Very low	142 Å²	142	128.5 Å²	128.5	74%	0.743	75%	0.752	S	S	*	*			cis	-147.5	145.4	-10.8	-99.3	151.8	0	0	0	107.3
735	A	27.5	Very low	32.9	Very low	88 Å²	88	132 Å²	132	73%	0.727	76%	0.762	S	S	*	*				46	141.8	93.1	0	0	0	0	0	116.1
736	S	28.7	Very low	32.6	Very low	110 Å²	110	130.3 Å²	130.3	77%	0.769	76%	0.763	S	S	*	*			cis	-154.4	175.6	19.5	56.8	0	0	0	0	114.6
737	D	26.6	Very low	32.8	Very low	149 Å²	149	131.1 Å²	131.1	80%	0.797	77%	0.769	S	S	*	*			trans	-58.6	179.1	169.6	-48.6	-89.7	0	0	0	115
738	P	58.8	Low	33.5	Very low	106 Å²	106	129.5 Å²	129.5	69%	0.688	77%	0.767	S	S	*	*			cis	-137.5	-168.8	-0.5	30.2	-5.3	0	0	0	116.7
739	D	26	Very low	33.2	Very low	157 Å²	157	127.2 Å²	127.2	84%	0.84	76%	0.76	S	S	*	*			trans	94	153.6	146.3	-80.6	-42.5	0	0	0	123.6
740	A	28.6	Very low	33	Very low	97 Å²	97	129.3 Å²	129.3	80%	0.802	76%	0.756	S	S	*	*			trans	85.3	127.3	169.2	0	0	0	0	0	121.3
741	H	28.3	Very low	33	Very low	183 Å²	183	129.6 Å²	129.6	85%	0.847	76%	0.755	S	S	*	*			trans	-88	-173.2	158.7	-57.6	-86.7	0	0	0	110.2
742	P	55.2	Low	32.9	Very low	94 Å²	94	133.4 Å²	133.4	61%	0.61	76%	0.758	S	S	*	*			cis	-130.5	-162.6	-17.9	14.9	12.8	0	0	0	112.4
743	H	26.8	Very low	32.5	Very low	167 Å²	167	128 Å²	128	77%	0.773	75%	0.754	S	S	*	*			trans	73.9	157.2	156	-62.3	-49.2	0	0	0	117.8
744	T	28.4	Very low	33.3	Very low	105 Å²	105	128.4 Å²	128.4	64%	0.644	76%	0.764	S	S	*	*			cis	-166.8	156.8	-18.2	-94.9	0	0	0	0	109
745	L	28.7	Very low	33.6	Very low	173 Å²	173	124.8 Å²	124.8	91%	0.906	76%	0.762	S	S	*	*			trans	19.6	135.7	162.6	-66.1	162.3	0	0	0	121.4
746	G	24	Very low	33.8	Very low	83 Å²	83	132.9 Å²	132.9	86%	0.856	77%	0.773	S	S	*	*			trans	-178.9	99.1	162.9	0	0	0	0	0	116.5
747	S	36.3	Very low	34	Very low	118 Å²	118	130.8 Å²	130.8	83%	0.825	77%	0.769	S	S	*	*			trans	-120.1	177	161.6	-142.7	0	0	0	0	107.1
748	P	52.4	Low	34.4	Very low	104 Å²	104	128.7 Å²	128.7	68%	0.675	77%	0.766	S	S	*	*			cis	-127.9	-136	3.7	28.9	-1.1	0	0	0	111.1
749	D	30.5	Very low	33.1	Very low	119 Å²	119	131.4 Å²	131.4	64%	0.636	78%	0.775	S	S	*	*			cis	-165.2	-173.7	6.6	-142.2	-13.6	0	0	0	115.5
750	F	32	Very low	33.3	Very low	152 Å²	152	127.6 Å²	127.6	67%	0.667	77%	0.773	S	S	*	*			trans	-2	144	163.5	-68.2	-62	0	0	0	121
751	F	28.2	Very low	33.6	Very low	191 Å²	191	128.9 Å²	128.9	84%	0.838	78%	0.776	S	S	*	*				-156.9	179.4	69.9	-110.4	-89.8	0	0	0	117
752	L	30.9	Very low	34	Very low	150 Å²	150	127.9 Å²	127.9	79%	0.785	78%	0.777	S	S	*	*			trans	-69.6	160.8	-173.7	-54.2	165.2	0	0	0	113.2
753	G	28.9	Very low	34	Very low	70 Å²	70	128.8 Å²	128.8	72%	0.722	78%	0.783	S	S	*	*			cis	98.2	154.3	40.8	0	0	0	0	0	110.8
754	P	46.7	Very low	34.4	Very low	138 Å²	138	128.5 Å²	128.5	90%	0.896	79%	0.786	S	S	*	*			cis	-113	-155.2	-2.3	45.5	-32.2	0	0	0	111.6
755	G	32	Very low	34.7	Very low	67 Å²	67	130 Å²	130	69%	0.691	79%	0.79	S	S	*	*			cis	142.5	150.9	-14.6	0	0	0	0	0	115.6
756	R	32.4	Very low	34.7	Very low	257 Å²	257	128.5 Å²	128.5	97%	0.97	78%	0.783	S	S	*	*			trans	76.4	150.8	-177.2	-61.2	176	165.3	-100.5	1.2	117.5
757	G	31.3	Very low	35.1	Very low	66 Å²	66	129.2 Å²	129.2	68%	0.68	77%	0.774	S	S	*	*			cis	158.2	135.6	-18.5	0	0	0	0	0	118.7
758	S	35	Very low	35	Very low	105 Å²	105	128.4 Å²	128.4	73%	0.734	77%	0.768	S	S	*	*			trans	78.4	145.2	146.4	58.1	0	0	0	0	125.2
759	N	33.2	Very low	34.1	Very low	164 Å²	164	128.5 Å²	128.5	88%	0.877	77%	0.771	S	S	*	*			trans	78	141.2	162.5	-55.2	-12.1	0	0	0	119.9
760	G	30.3	Very low	34	Very low	77 Å²	77	128.1 Å²	128.1	79%	0.794	78%	0.776	S	S	*	*			cis	139.1	126.2	-18.4	0	0	0	0	0	116.8
761	S	34.7	Very low	34.1	Very low	124 Å²	124	126.7 Å²	126.7	87%	0.867	78%	0.78	S	S	*	*			trans	-175.6	139.6	166.3	56.4	0	0	0	0	115.3
762	D	36	Very low	34.4	Very low	161 Å²	161	122.4 Å²	122.4	86%	0.861	77%	0.774	S	S	*	*			trans	-115.3	159.3	164	-83.4	-53.2	0	0	0	110
763	P	54.4	Low	34.3	Very low	114 Å²	114	124.5 Å²	124.5	74%	0.74	78%	0.78	S	S	*	*				-159.8	150.1	102.4	38.5	-17.9	0	0	0	120.4
764	L	35.7	Very low	34.4	Very low	161 Å²	161	125.7 Å²	125.7	84%	0.843	78%	0.778	S	S	*	*			trans	76	156.5	139.9	-67.5	167.4	0	0	0	124.2
765	D	34.5	Very low	34.3	Very low	137 Å²	137	124.7 Å²	124.7	73%	0.733	77%	0.774	S	S	*	*			trans	-42.8	169.4	-174.8	-56.7	-85	0	0	0	118.8
766	D	29.8	Very low	34.6	Very low	140 Å²	140	126.6 Å²	126.6	75%	0.749	78%	0.777	S	S	*	*			cis	-164.9	168.3	33.8	-162.6	0.6	0	0	0	114.2
767	C	31.5	Very low	34.5	Very low	98 Å²	98	121.9 Å²	121.9	66%	0.662	77%	0.766	S	S	*	*			trans	48.6	121.9	150.4	-88.8	0	0	0	0	125
768	S	33.9	Very low	34.5	Very low	101 Å²	101	126.5 Å²	126.5	71%	0.706	77%	0.769	S	S	*	*				82.6	109	127	-65.7	0	0	0	0	124.2
769	S	33.6	Very low	34	Very low	107 Å²	107	131.9 Å²	131.9	75%	0.748	78%	0.775	S	S	*	*				86.8	126	119.2	-58.8	0	0	0	0	124.6
770	C	29.8	Very low	33.6	Very low	110 Å²	110	129.4 Å²	129.4	74%	0.743	77%	0.769	S	S	*	*			trans	66.6	123.4	141.2	65.6	0	0	0	0	125.7
771	T	32.9	Very low	34.6	Very low	122 Å²	122	132.3 Å²	132.3	75%	0.748	77%	0.774	S	S	*	*			trans	74	107.9	135.8	51.5	0	0	0	0	124.6
772	S	35.1	Very low	34.3	Very low	102 Å²	102	132.7 Å²	132.7	71%	0.713	78%	0.777	S	S	*	*				77.4	146.4	118.4	-53.2	0	0	0	0	123.7
773	Q	27.5	Very low	34	Very low	193 Å²	193	128.7 Å²	128.7	90%	0.902	77%	0.773	S	S	*	*			trans	74.4	164.9	165.7	-55.4	-170.1	28.8	0	0	117.9
774	S	32.6	Very low	32.7	Very low	96 Å²	96	126.8 Å²	126.8	67%	0.671	78%	0.775	S	S	*	*			cis	-175	131.3	-41.2	-171.2	0	0	0	0	111.8
775	S	43	Very low	33.3	Very low	117 Å²	117	125.1 Å²	125.1	82%	0.818	77%	0.773	S	S	*	*			trans	62.6	178.3	166.5	-49.6	0	0	0	0	116.7
776	S	39.3	Very low	34	Very low	107 Å²	107	124.1 Å²	124.1	75%	0.748	77%	0.774	S	S	*	*			cis	-159	-158.9	12.2	65.7	0	0	0	0	113.7
777	E	30.4	Very low	34	Very low	158 Å²	158	121.1 Å²	121.1	74%	0.738	78%	0.777	S	S	*	*			trans	81	151.8	169.7	-73.2	-144.6	-106.3	0	0	120.5
778	H	31.8	Very low	34	Very low	163 Å²	163	121.8 Å²	121.8	76%	0.755	78%	0.782	S	S	*	*			cis	-169.1	-167.6	-34.9	-128.1	4.2	0	0	0	114.6
779	Y	23.6	Very low	33.9	Very low	218 Å²	218	123.5 Å²	123.5	86%	0.855	78%	0.783	S	S	*	*			trans	92.1	150.4	162.2	-105.5	-92.8	0	0	0	123.8
780	C	24.4	Very low	34.2	Very low	111 Å²	111	123.8 Å²	123.8	75%	0.75	78%	0.783	S	S	*	*			trans	-149.4	165.9	-165.5	-96.8	0	0	0	0	111.1
781	P	51.4	Low	34.2	Very low	139 Å²	139	124.4 Å²	124.4	90%	0.903	78%	0.778	S	S	*	*				-152.4	-146.7	72.2	41.8	-17.9	0	0	0	116.4
782	S	29.4	Very low	34	Very low	132 Å²	132	129.1 Å²	129.1	92%	0.923	78%	0.784	S	S	*	*			trans	-146.6	166.9	-152.3	-175.9	0	0	0	0	116.4
783	G	29.8	Very low	34	Very low	76 Å²	76	128.7 Å²	128.7	78%	0.784	78%	0.781	S	S	*	*			trans	178.8	152.3	170.6	0	0	0	0	0	116
784	G	26.1	Very low	34	Very low	75 Å²	75	126.7 Å²	126.7	77%	0.773	78%	0.782	S	S	*	*			trans	-166.9	-156.8	178.5	0	0	0	0	0	110.7
785	P	49.7	Very low	34.1	Very low	126 Å²	126	130.6 Å²	130.6	82%	0.818	80%	0.795	S	S	*	*			cis	-119.6	-123.8	-9.7	36.4	-14.6	0	0	0	109.6
786	P	48.9	Very low	33.4	Very low	116 Å²	116	128.4 Å²	128.4	75%	0.753	79%	0.79	S	S	*	*			cis	-131.7	165.7	-39.7	35.9	-18.2	0	0	0	117
787	G	30.2	Very low	32.8	Very low	77 Å²	77	131.9 Å²	131.9	79%	0.794	80%	0.795	S	S	*	*			trans	86.6	141.8	148.2	0	0	0	0	0	119.8
788	S	29.8	Very low	32.6	Very low	111 Å²	111	131.5 Å²	131.5	78%	0.776	80%	0.798	S	S	*	*			cis	-161.4	109.6	-12.3	58.1	0	0	0	0	114.1
789	N	32.4	Very low	32.9	Very low	137 Å²	137	129 Å²	129	73%	0.733	80%	0.798	S	S	*	*			trans	49.1	157.1	145	-80.2	21.3	0	0	0	123.7	N791	N789-N791 PolarHBondContact ND2-OD1 3.45Å
790	P	40.3	Very low	34.3	Very low	113 Å²	113	123.9 Å²	123.9	73%	0.734	79%	0.792	S	S	*	*			cis	-125	141.2	12	37.5	-21.7	0	0	0	118.2
791	N	30.3	Very low	34.6	Very low	123 Å²	123	123.5 Å²	123.5	66%	0.658	79%	0.791	S	S	*	*			trans	26.6	123.6	135.8	-45.9	-0.6	0	0	0	118.3	N789	N789-N791 PolarHBondContact ND2-OD1 3.45Å
792	Y	28.5	Very low	33.6	Very low	222 Å²	222	126 Å²	126	87%	0.871	79%	0.788	S	S	*	*			cis	72.4	149.6	18.9	-143.7	-94	0	0	0	117.9
793	S	35	Very low	33.6	Very low	93 Å²	93	124.4 Å²	124.4	65%	0.65	78%	0.782	S	S	*	*			trans	-116.3	155.4	-167.5	-49.4	0	0	0	0	113.6
794	T	26.9	Very low	33.7	Very low	150 Å²	150	132.4 Å²	132.4	92%	0.92	79%	0.788	S	S	*	*			trans	-159.1	175.3	157	14.6	0	0	0	0	112.4
795	L	35.4	Very low	33.9	Very low	179 Å²	179	136.2 Å²	136.2	94%	0.937	79%	0.786	S	S	*	*			trans	-88.5	164.6	-176.4	-66.6	156.1	0	0	0	113.3
796	G	28.9	Very low	33.2	Very low	70 Å²	70	140.6 Å²	140.6	72%	0.722	79%	0.786	S	S	*	*			trans	133.7	148	176.6	0	0	0	0	0	111.4
797	E	25.2	Very low	32.3	Very low	180 Å²	180	144.4 Å²	144.4	84%	0.841	79%	0.794	S	S	*	*			cis	-149.8	164.5	1	-61.4	-176.7	124.8	0	0	111
798	D	26	Very low	32.4	Very low	150 Å²	150	151.9 Å²	151.9	80%	0.802	80%	0.798	S	S	*	*			trans	55.6	162.6	138.8	-76.2	11.2	0	0	0	126
799	S	38.8	Very low	32.3	Very low	110 Å²	110	155.2 Å²	155.2	77%	0.769	80%	0.801	S	S	*	*			trans	-144.4	163.4	170.9	-72.4	0	0	0	0	105.9
800	P	52.7	Low	32.2	Very low	112 Å²	112	157.5 Å²	157.5	73%	0.727	80%	0.8	S	S	*	*			cis	-153.1	-162.1	33.5	41.5	-18.3	0	0	0	116.5
801	S	31.7	Very low	31.6	Very low	102 Å²	102	158.9 Å²	158.9	71%	0.713	80%	0.796	S	S	*	*			trans	73.9	149.9	152.3	-71.2	0	0	0	0	118.8
802	K	30	Very low	31.4	Very low	193 Å²	193	163.4 Å²	163.4	84%	0.839	80%	0.804	S	S	*	*			cis	-160.8	178.2	-8.8	-129.2	173.7	-179.1	170.7	0	110.4
803	A	29.1	Very low	31.4	Very low	97 Å²	97	157.6 Å²	157.6	80%	0.802	80%	0.796	S	S	*	*			trans	73.9	153.8	155.3	0	0	0	0	0	119.5
804	R	31.1	Very low	31	Very low	245 Å²	245	158.3 Å²	158.3	93%	0.925	81%	0.807	S	S	*	*			cis	-157.5	158.3	-28.3	-175.9	171	-173.8	-158.6	3.5	110.4
805	Q	31.3	Very low	31	Very low	155 Å²	155	154.7 Å²	154.7	72%	0.724	80%	0.8	S	S	*	*			trans	-82.8	136.8	-177.8	179.7	174.3	-97.2	0	0	115.2
806	R	35.7	Very low	30.6	Very low	218 Å²	218	154.6 Å²	154.6	82%	0.823	80%	0.795	S	S	*	*			trans	41.2	141.2	152.8	-63	170.5	179.9	-164.8	0.6	121.5
807	Q	29.1	Very low	30.9	Very low	196 Å²	196	159.4 Å²	159.4	92%	0.916	80%	0.803	S	S	*	*				-150.8	170	119.3	-161.9	125	-60.7	0	0	111.7
808	R	32.8	Very low	30.9	Very low	233 Å²	233	154.4 Å²	154.4	88%	0.879	80%	0.8	S	S	*	*			trans	-114.3	151.9	177.8	-68.1	171.3	154	-148.1	-2.7	110.6
809	Q	28.3	Very low	31.2	Very low	181 Å²	181	153.3 Å²	153.3	85%	0.846	80%	0.804	S	S	*	*			trans	164.8	158.1	142.1	-96.8	-178.6	0.6	0	0	108.9
810	R	30	Very low	30.8	Very low	186 Å²	186	152.9 Å²	152.9	70%	0.702	80%	0.801	S	S	*	*			cis	-168.2	163.3	-24.3	-150.4	174.7	-169.2	-128.8	12.5	107
811	H	26.7	Very low	29.7	Very low	141 Å²	141	154.6 Å²	154.6	65%	0.653	80%	0.804	S	S	*	*			trans	68	156.1	165.5	-65.4	-55.7	0	0	0	116.9
812	R	26.9	Very low	29.6	Very low	219 Å²	219	155.6 Å²	155.6	83%	0.826	81%	0.811	S	S	*	*			cis	-167.8	155.7	-21.4	-172.8	-171.9	-163.2	176.6	2.8	109.5
813	S	27.6	Very low	29.6	Very low	99 Å²	99	149.7 Å²	149.7	69%	0.692	81%	0.805	S	S	*	*			trans	62.2	121.9	152	45.9	0	0	0	0	124.1
814	A	27	Very low	29.7	Very low	108 Å²	108	151.5 Å²	151.5	89%	0.893	81%	0.811	S	S	*	*				67.9	156.5	125.9	0	0	0	0	0	123.2
815	G	26.8	Very low	30	Very low	74 Å²	74	146.6 Å²	146.6	76%	0.763	80%	0.801	S	S	*	*			trans	102.5	113.9	178.6	0	0	0	0	0	112.4
816	Q	27	Very low	30.8	Very low	178 Å²	178	145.2 Å²	145.2	83%	0.832	81%	0.805	S	S	*	*			cis	90.2	131.7	33.4	-156.5	83.2	0.8	0	0	113.2
817	L	34.4	Very low	30.9	Very low	171 Å²	171	141 Å²	141	90%	0.895	80%	0.799	S	S	*	*			trans	71.1	144.4	-179.7	-46.7	174.9	0	0	0	115.8
818	G	27.2	Very low	31.3	Very low	75 Å²	75	139.7 Å²	139.7	77%	0.773	80%	0.797	S	S	*	*			cis	139.3	120.3	-14.3	0	0	0	0	0	114.8
819	S	31.1	Very low	31.3	Very low	127 Å²	127	133.3 Å²	133.3	89%	0.888	79%	0.794	S	S	*	*			trans	-161.9	163.1	153.2	-162	0	0	0	0	110.6
820	S	31.5	Very low	31.9	Very low	101 Å²	101	129.6 Å²	129.6	71%	0.706	80%	0.795	S	S	*	*			trans	-136.3	-177.4	-158	-59	0	0	0	0	114.1
821	N	29	Very low	32	Very low	147 Å²	147	130.5 Å²	130.5	79%	0.786	80%	0.804	S	S	*	*			trans	98.7	120.2	167.1	-60.9	-2.6	0	0	0	114.8
822	S	29.8	Very low	32.4	Very low	124 Å²	124	131.8 Å²	131.8	87%	0.867	82%	0.816	S	S	*	*				82.8	129.1	56.4	-61.7	0	0	0	0	112.3
823	G	29	Very low	32.5	Very low	69 Å²	69	124.7 Å²	124.7	71%	0.711	81%	0.81	S	S	*	*			cis	169.5	-175.3	-6.4	0	0	0	0	0	114
824	S	32.6	Very low	32.8	Very low	134 Å²	134	125.4 Å²	125.4	94%	0.937	82%	0.815	S	S	*	*			trans	74.7	153.9	158	-58	0	0	0	0	120.7
825	M	37	Very low	33.1	Very low	142 Å²	142	127.3 Å²	127.3	70%	0.7	82%	0.816	S	S	*	*			trans	-86.2	177.5	179.1	-58.9	172.7	61.1	0	0	112.1
826	P	47.9	Very low	33.3	Very low	126 Å²	126	127.6 Å²	127.6	82%	0.818	82%	0.818	S	S	*	*				-140.5	162.5	99	38.7	-27.4	0	0	0	115.8
827	N	37.9	Very low	33.5	Very low	129 Å²	129	123.1 Å²	123.1	69%	0.69	82%	0.82	S	S	*	*			trans	-92.7	159.8	158.4	-71.1	-49.3	0	0	0	109.6
828	L	37.7	Very low	33.6	Very low	169 Å²	169	121 Å²	121	89%	0.885	82%	0.819	S	S	*	*				175.6	131.9	128.6	-98.5	166.4	0	0	0	114.9
829	A	32.1	Very low	33.8	Very low	99 Å²	99	121.5 Å²	121.5	82%	0.818	82%	0.824	S	S	*	*			trans	54.7	168.9	139.9	0	0	0	0	0	122.4
830	A	41.8	Very low	33.9	Very low	103 Å²	103	119.2 Å²	119.2	85%	0.851	82%	0.821	S	S	*	*			trans	-128.1	172.2	-172	0	0	0	0	0	112.6
831	K	32	Very low	33.9	Very low	206 Å²	206	118.7 Å²	118.7	90%	0.896	83%	0.831	S	S	*	*			trans	-148.4	150.5	173.1	-158.6	170.6	-176.7	179.1	0	112.4
832	N	33.3	Very low	33.9	Very low	168 Å²	168	115.5 Å²	115.5	90%	0.898	83%	0.833	S	S	*	*			trans	-97.1	163.7	-171.8	-69.2	-17.2	0	0	0	114.7
833	G	30.5	Very low	34.1	Very low	69 Å²	69	118.5 Å²	118.5	71%	0.711	84%	0.838	S	S	*	*			trans	131.3	147.5	159.2	0	0	0	0	0	114.1
834	S	33	Very low	34.2	Very low	114 Å²	114	118.8 Å²	118.8	80%	0.797	84%	0.841	S	S	*	*			cis	-167.2	147.3	-8.3	-103.9	0	0	0	0	112.9
835	V	32.4	Very low	34.1	Very low	149 Å²	149	116.7 Å²	116.7	90%	0.903	84%	0.84	S	S	*	*			trans	62	136.9	142.4	178.7	0	0	0	0	121.8
836	G	32.1	Very low	33.7	Very low	79 Å²	79	113 Å²	113	81%	0.814	84%	0.839	S	S	*	*			trans	113.9	130.9	160.2	0	0	0	0	0	114.2
837	G	31.9	Very low	32.8	Very low	85 Å²	85	115.7 Å²	115.7	88%	0.876	84%	0.84	S	S	*	*			cis	-155.3	-176.2	-2.9	0	0	0	0	0	110.8
838	S	35.4	Very low	32.4	Very low	126 Å²	126	118.8 Å²	118.8	88%	0.881	85%	0.85	S	S	*	*			trans	-124.5	150.4	-158.4	46.1	0	0	0	0	117.5
839	G	31.8	Very low	31.9	Very low	85 Å²	85	114 Å²	114	88%	0.876	84%	0.842	S	S	*	*			trans	92	148.8	167.1	0	0	0	0	0	115.8
840	G	32.5	Very low	31.7	Very low	79 Å²	79	115.8 Å²	115.8	81%	0.814	84%	0.842	S	S	*	*			cis	168.6	138.1	-10.8	0	0	0	0	0	113.4
841	G	32.2	Very low	31	Very low	90 Å²	90	120.7 Å²	120.7	93%	0.928	84%	0.84	S	S	*	*			trans	60	113.6	158.2	0	0	0	0	0	120.7
842	G	29.8	Very low	30.9	Very low	80 Å²	80	117.9 Å²	117.9	83%	0.825	83%	0.834	S	S	*	*			trans	-176	138.4	165.5	0	0	0	0	0	113.1
843	I	34.1	Very low	30.7	Very low	187 Å²	187	117.2 Å²	117.2	96%	0.959	83%	0.825	S	S	*	*			trans	-119.8	133.9	-175.6	-59.4	170.5	0	0	0	110
844	G	30.7	Very low	30.5	Very low	75 Å²	75	118 Å²	118	77%	0.773	82%	0.82	S	S	*	*			trans	164	120.2	170.2	0	0	0	0	0	112.1
845	G	29.5	Very low	30.5	Very low	90 Å²	90	122.3 Å²	122.3	93%	0.928	83%	0.827	S	S	*	*			trans	-92.8	163.2	-175	0	0	0	0	0	114.6
846	G	28.2	Very low	30.3	Very low	66 Å²	66	120.6 Å²	120.6	68%	0.68	82%	0.822	S	S	*	*			trans	156.1	94.9	165.8	0	0	0	0	0	117
847	H	29.5	Very low	30.3	Very low	181 Å²	181	125.9 Å²	125.9	84%	0.838	83%	0.826	S	S	*	*			trans	59.1	140.1	151.6	-61.7	-92.3	0	0	0	122.7
848	H	29.4	Very low	30.3	Very low	194 Å²	194	127.6 Å²	127.6	90%	0.898	82%	0.821	S	S	*	*			trans	67.8	124.8	154	-85.4	28.4	0	0	0	120.7
849	G	28.4	Very low	29.9	Very low	69 Å²	69	127.1 Å²	127.1	71%	0.711	82%	0.818	S	S	*	*			trans	153.8	103.4	147	0	0	0	0	0	120.5
850	V	27.3	Very low	29.9	Very low	136 Å²	136	127.8 Å²	127.8	82%	0.824	81%	0.809	S	S	*	*			trans	50.5	112.3	135.4	-124.2	0	0	0	0	123.5
851	Y	26.8	Very low	29.8	Very low	206 Å²	206	132.3 Å²	132.3	81%	0.808	81%	0.809	S	S	*	*			trans	69	141.6	134	-91.2	-127.3	0	0	0	125.2
852	L	30.4	Very low	29.7	Very low	147 Å²	147	138.2 Å²	138.2	77%	0.77	81%	0.805	S	S	*	*			trans	71.6	146.6	153.3	-70.6	161.7	0	0	0	118
853	H	28.3	Very low	29.6	Very low	155 Å²	155	145.6 Å²	145.6	72%	0.718	81%	0.808	S	S	*	*			cis	-150.6	154.9	5.2	-167.7	56.1	0	0	0	113.2
854	S	27.1	Very low	29.3	Very low	86 Å²	86	143.9 Å²	143.9	60%	0.601	80%	0.799	S	S	*	*			trans	41	122.9	157.3	-73.1	0	0	0	0	123.6
855	Q	31.9	Very low	29	Very low	203 Å²	203	149 Å²	149	95%	0.949	80%	0.8	S	S	*	*				-147.4	160.3	127.4	-122.5	177.8	73.9	0	0	111.4
856	S	30	Very low	28.8	Very low	113 Å²	113	153.6 Å²	153.6	79%	0.79	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-89.3	143.2	-162.2	50.9	0	0	0	0	115.5
857	Q	30.7	Very low	28.6	Very low	191 Å²	191	160.1 Å²	160.1	89%	0.893	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-78.6	146.9	168.9	-74	-173.9	-27	0	0	112.9
858	P	31.8	Very low	28.5	Very low	120 Å²	120	157.3 Å²	157.3	78%	0.779	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-83.3	161	173.2	34.9	-35.3	0	0	0	113.1
859	S	28.7	Very low	28.4	Very low	116 Å²	116	155.9 Å²	155.9	81%	0.811	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-71.4	143.1	173.9	-179.4	0	0	0	0	112.5
860	S	31.5	Very low	28.3	Very low	100 Å²	100	162.4 Å²	162.4	70%	0.699	80%	0.803	S	S	*	*			trans	-117.5	100.3	171.5	52.6	0	0	0	0	111.7
861	Q	30.4	Very low	28.3	Very low	173 Å²	173	162.5 Å²	162.5	81%	0.808	80%	0.804	S	S	*	*			trans	-80.5	121.6	163.2	-71.9	-175.1	-14.4	0	0	109.8
862	Y	28.6	Very low	28.3	Very low	214 Å²	214	160.7 Å²	160.7	84%	0.839	80%	0.803	S	S	*	*			trans	-128.4	120.7	160.9	-86	-85	0	0	0	109.7
863	R	28.3	Very low	28.3	Very low	235 Å²	235	157.4 Å²	157.4	89%	0.887	81%	0.805	S	S	*	*			trans	-78.3	119.2	170.9	-70.4	-176.2	177.5	92.1	-4.6	108.7
864	I	29	Very low	28.2	Very low	151 Å²	151	154.9 Å²	154.9	77%	0.774	81%	0.805	S	S	*	*			trans	-80.1	145.3	163.6	-62.8	178.7	0	0	0	108.2
865	K	23.1	Very low	28.3	Very low	182 Å²	182	156.5 Å²	156.5	79%	0.791	82%	0.816	S	S	*	*			trans	-102.4	105.6	-173.1	-168.1	178.9	-175.3	-177.8	0	108.7
866	E	25.4	Very low	28.2	Very low	188 Å²	188	152.1 Å²	152.1	88%	0.879	80%	0.799	S	S	*	*			trans	-66.3	144	-174.2	-65.8	-175.8	135.5	0	0	112.9
867	Y	23.9	Very low	28.5	Very low	202 Å²	202	148.5 Å²	148.5	79%	0.792	78%	0.78	S	S	*	*			trans	-122.5	130.2	162.4	-92.8	-88.5	0	0	0	107.9	L869	Y867-L869 PolarHBondContact O-N 2.76Å
868	P	28.4	Very low	28.9	Very low	122 Å²	122	145.4 Å²	145.4	79%	0.792	77%	0.774	S	S	*	*			trans	-75.6	124.6	177	30	-32.9	0	0	0	110.5
869	L	26.9	Very low	29.6	Very low	165 Å²	165	140 Å²	140	86%	0.864	74%	0.738	S	S	*	*			trans	-105.2	117.6	166.5	-71.8	178.4	0	0	0	109.7	Y867	Y867-L869 PolarHBondContact O-N 2.76Å
870	Y	26.7	Very low	30.4	Very low	205 Å²	205	139.1 Å²	139.1	80%	0.804	73%	0.728	S	S	*	*			trans	-70.6	126.7	173.8	-117.1	-105.4	0	0	0	110.3
871	V	27	Very low	31.5	Very low	138 Å²	138	140.8 Å²	140.8	84%	0.836	72%	0.719	S	S	*	*			trans	-133.3	110.8	154.9	-179.1	0	0	0	0	107.1
872	E	26.2	Very low	32.4	Very low	169 Å²	169	134.8 Å²	134.8	79%	0.79	70%	0.696	S	S	*	*			trans	-91.6	138.8	-178.7	-171.1	165	-165.4	0	0	110.4
873	G	31.3	Very low	33.7	Very low	78 Å²	78	130.1 Å²	130.1	80%	0.804	69%	0.685	S	S	*	*			trans	85.2	60.5	168	0	0	0	0	0	117.7
874	S	25.5	Very low	34.7	Very low	102 Å²	102	125.2 Å²	125.2	71%	0.713	67%	0.672	S	S	*	*			trans	-147.6	133.4	152.8	-172.8	0	0	0	0	111.3
875	S	28.4	Very low	36	Very low	120 Å²	120	119.8 Å²	119.8	84%	0.839	65%	0.647	S	S	*	*			trans	-97.5	4.7	-174.8	55.6	0	0	0	0	114.5
876	N	31.8	Very low	38	Very low	110 Å²	110	115.8 Å²	115.8	59%	0.588	64%	0.635	S	S	*	*	S	Bend	trans	-94.5	142.6	177.4	-68	-7.4	0	0	0	110.6	V878	N876-V878 PolarHBondContact O-N 3.4Å
877	G	35.8	Very low	40.3	Very low	38 Å²	38	112.6 Å²	112.6	39%	0.392	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-59.6	128.2	-174.3	0	0	0	0	0	113	V879 Q896	G877-V879 PolarHBondContact O-N 2.88Å; G877-Q896 PolarHBondContact O-NE2 3.06Å
878	V	37.9	Very low	43.3	Very low	126 Å²	126	105.8 Å²	105.8	76%	0.764	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-70.1	119.8	174.2	-179.8	0	0	0	0	109.2	N876	N876-V878 PolarHBondContact O-N 3.4Å
879	V	46.9	Very low	46.1	Very low	6 Å²	6	100.3 Å²	100.3	4%	0.036	56%	0.561	C	S	.	*	P	Polyproline II helix	trans	-82	127.8	163.1	-174.6	0	0	0	0	107.6	L336 G877 R881 Y891 Q896	L336-V879 HydrophobicContact CD1-CG2 3.82Å; G877-V879 PolarHBondContact O-N 2.88Å; V879-R881 PolarHBondContact O-N 2.88Å; V879-R881 VanDerWaalsContact O-N 3.08Å; V879-Y891 HydrophobicContact CB-CE2 4.16Å; V879-Y891 HydrophobicContact CG1-CD2 4.14Å; V879-Y891 HydrophobicContact CG1-CE2 3.45Å; V879-Y891 VanDerWaalsContact CG1-CE2 3.45Å; V879-Q896 HydrophobicContact CG2-CG 4.5Å
880	V	45.5	Very low	49.2	Very low	98 Å²	98	95.3 Å²	95.3	59%	0.594	53%	0.533	S	S	*	.			trans	-65.9	110.2	-179.1	-177.1	0	0	0	0	109.9	A895	V880-A895 HydrophobicContact CB-CB 4.5Å
881	R	55.1	Low	52.4	Low	134 Å²	134	85.6 Å²	85.6	51%	0.506	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	102.8	174	-64.2	172.4	-167.4	174.7	4.9	107.8	V879 L883 Y891	V879-R881 PolarHBondContact O-N 2.88Å; V879-R881 VanDerWaalsContact O-N 3.08Å; R881-L883 PolarHBondContact O-N 2.83Å; R881-Y891 HydrophobicContact CG-CD2 3.91Å; R881-Y891 HydrophobicContact CG-CE2 4.04Å
882	S	48.7	Very low	55.4	Low	47 Å²	47	80.4 Å²	80.4	33%	0.329	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	98.4	171.1	-153.5	0	0	0	0	108.6	E884 G889 H890	S882-E884 PolarHBondContact O-N 2.8Å; S882-E884 WeakPolarHBondContact OG-CG 3.48Å; S882-G889 WeakPolarHBondContact O-CA 3.33Å; S882-H890 PolarHBondContact N-O 2.88Å; S882-H890 PolarHBondContact O-N 2.81Å
883	L	56	Low	58.4	Low	116 Å²	116	72.7 Å²	72.7	61%	0.607	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	78.7	168.8	-168.4	76.8	0	0	0	107.6	F281 R881 S885	F281-L883 HydrophobicContact CE1-CD1 4.11Å; F281-L883 HydrophobicContact CZ-CD1 4.36Å; R881-L883 PolarHBondContact O-N 2.83Å; L883-S885 PolarHBondContact O-N 2.97Å
884	E	49.1	Very low	60.9	Low	133 Å²	133	73.7 Å²	73.7	62%	0.621	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	-25.5	-175	-65.5	179.4	118.1	0	0	112.2	S882	S882-E884 PolarHBondContact O-N 2.8Å; S882-E884 WeakPolarHBondContact OG-CG 3.48Å
885	S	55.9	Low	62.8	Low	36 Å²	36	70.4 Å²	70.4	25%	0.252	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	164.3	170.7	178.1	0	0	0	0	111.5	L883 Q887 E888	L883-S885 PolarHBondContact O-N 2.97Å; S885-Q887 PolarHBondContact O-N 2.67Å; S885-Q887 PolarHBondContact OG-N 3.08Å; S885-Q887 VanDerWaalsContact OG-N 3.14Å; S885-Q887 PolarHBondContact OG-OE1 2.8Å; S885-E888 PolarHBondContact N-O 2.78Å; S885-E888 PolarHBondContact O-N 3.07Å
886	D	65.5	Low	63.8	Low	99 Å²	99	67.2 Å²	67.2	53%	0.529	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	0.5	163	-135.9	-26.7	0	0	0	112.8	K322	K322-D886 WeakPolarHBondContact CE-O 3.41Å; K322-D886 PolarHBondContact NZ-O 3.01Å; K322-D886 IonicContact NZ-OD1 2.77Å; K322-D886 PolarHBondContact NZ-OD1 3.48Å
887	Q	73.7	Confident	64.2	Low	121 Å²	121	72 Å²	72	57%	0.565	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-15.3	171.6	-68	96.8	46.7	0	0	115.1	F281 R282 E283 S885	F281-Q887 WeakPolarHBondContact CE2-O 3.43Å; R282-Q887 WeakPolarHBondContact CA-O 3.04Å; E283-Q887 PolarHBondContact N-O 3.17Å; S885-Q887 PolarHBondContact O-N 2.67Å; S885-Q887 PolarHBondContact OG-N 3.08Å; S885-Q887 VanDerWaalsContact OG-N 3.14Å; S885-Q887 PolarHBondContact OG-OE1 2.8Å
888	E	86.7	Confident	64	Low	59 Å²	59	79.7 Å²	79.7	28%	0.276	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	153.6	-178.1	70.8	-169.2	139.6	0	0	114	F281 R282 S885	F281-E888 VanDerWaalsContact CE1-C 3.46Å; F281-E888 VanDerWaalsContact O-CA 3.3Å; F281-E888 WeakPolarHBondContact O-CA 3.18Å; R282-E888 HydrophobicContact CB-CB 4.02Å; R282-E888 VanDerWaalsContact CD-OE2 3.3Å; R282-E888 WeakPolarHBondContact CD-OE2 3.32Å; R282-E888 HydrophobicContact CG-CB 4Å; R282-E888 IonicContact CZ-OE2 3.02Å; R282-E888 IonicContact NE-OE2 2.95Å; R282-E888 IonicContact NH1-OE1 2.71Å; R282-E888 PolarHBondContact NH1-OE1 3.3Å; R282-E888 IonicContact NH1-OE2 3.11Å; R282-E888 PolarHBondContact NH1-OE2 3.12Å; S885-E888 PolarHBondContact N-O 2.78Å; S885-E888 PolarHBondContact O-N 3.07Å
889	G	88.1	Confident	63.7	Low	6 Å²	6	79 Å²	79	6%	0.062	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	150.7	179.3	0	0	0	0	0	113.9	Y280 F281 W325 S882	Y280-G889 WeakPolarHBondContact CA-O 3.39Å; F281-G889 PolarHBondContact N-O 2.82Å; F281-G889 PolarHBondContact O-N 2.76Å; W325-G889 WeakPolarHBondContact CH2-O 3.31Å; S882-G889 WeakPolarHBondContact O-CA 3.33Å
890	H	92.1	Very high	63	Low	61 Å²	61	84.4 Å²	84.4	28%	0.282	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.6	179.1	175.8	-129.7	0	0	0	110.6	N278 L279 Y280 S882	N278-H890 PolarHBondContact OD1-NE2 2.71Å; L279-H890 PolarHBondContact O-CD2 2.95Å; Y280-H890 HydrophobicContact CD1-CB 4.33Å; Y280-H890 AromaticContact CD1-CD2 3.56Å; Y280-H890 HydrophobicContact CE1-CB 4.46Å; Y280-H890 AromaticContact CE1-CD2 3.11Å; Y280-H890 WeakPolarHBondContact CE1-CD2 3.25Å; Y280-H890 AromaticContact CE1-CG 3.88Å; Y280-H890 AromaticContact CE1-NE2 3.62Å; Y280-H890 AromaticContact CZ-CD2 3.58Å; Y280-H890 AromaticContact CZ-NE2 3.7Å; Y280-H890 PolarHBondContact OH-NE2 3Å; S882-H890 PolarHBondContact N-O 2.88Å; S882-H890 PolarHBondContact O-N 2.81Å
891	Y	92.6	Very high	62.2	Low	0 Å²	0	84.3 Å²	84.3	0%	0	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	110.7	-178.2	179.8	-102.4	0	0	0	109.4	N278 L279 W325 I329 H332 V879 R881 V893	N278-Y891 WeakPolarHBondContact CA-O 3.15Å; L279-Y891 HydrophobicContact CD1-CD1 3.83Å; L279-Y891 HydrophobicContact CD1-CE1 4.36Å; L279-Y891 HydrophobicContact CG-CD1 4.07Å; L279-Y891 PolarHBondContact N-O 2.9Å; L279-Y891 PolarHBondContact O-N 2.74Å; W325-Y891 VanDerWaalsContact CH2-CB 3.43Å; I329-Y891 HydrophobicContact CB-CD1 4.27Å; I329-Y891 HydrophobicContact CB-CD2 4.21Å; I329-Y891 HydrophobicContact CB-CE1 4.17Å; I329-Y891 HydrophobicContact CB-CE2 4.11Å; I329-Y891 HydrophobicContact CB-CG 4.25Å; I329-Y891 HydrophobicContact CG2-CD1 3.66Å; I329-Y891 HydrophobicContact CG2-CD2 3.91Å; I329-Y891 HydrophobicContact CG2-CE1 4.06Å; I329-Y891 HydrophobicContact CG2-CE2 4.29Å; I329-Y891 HydrophobicContact CG2-CG 3.54Å; I329-Y891 PolarHBondContact O-OH 3.31Å; H332-Y891 HydrophobicContact CB-CE1 4.12Å; H332-Y891 AromaticContact CD2-CE1 3.71Å; H332-Y891 AromaticContact CD2-CZ 3.98Å; H332-Y891 PolarHBondContact CD2-OH 2.83Å; V879-Y891 HydrophobicContact CB-CE2 4.16Å; V879-Y891 HydrophobicContact CG1-CD2 4.14Å; V879-Y891 HydrophobicContact CG1-CE2 3.45Å; V879-Y891 VanDerWaalsContact CG1-CE2 3.45Å; R881-Y891 HydrophobicContact CG-CD2 3.91Å; R881-Y891 HydrophobicContact CG-CE2 4.04Å; Y891-V893 HydrophobicContact CD1-CG2 4.37Å; Y891-V893 HydrophobicContact CE1-CG2 4.49Å
892	S	91.4	Very high	61	Low	29 Å²	29	82.2 Å²	82.2	20%	0.203	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.5	178.3	-172.9	0	0	0	0	110.5	N278 K894 A895	N278-S892 VanDerWaalsContact OD1-CA 3.31Å; N278-S892 WeakPolarHBondContact OD1-CA 3.4Å; N278-S892 WeakPolarHBondContact OD1-CB 3.45Å; N278-S892 PolarHBondContact OD1-OG 3.14Å; S892-K894 PolarHBondContact O-N 3.32Å; S892-A895 WeakPolarHBondContact O-CB 3.46Å; S892-A895 PolarHBondContact O-N 2.96Å
893	V	88.8	Confident	60.3	Low	8 Å²	8	90.6 Å²	90.6	5%	0.048	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.2	-174.8	177.5	0	0	0	0	111.1	L276 E277 L279 H332 Y891	L276-V893 HydrophobicContact CB-CB 4.25Å; L276-V893 HydrophobicContact CB-CG1 3.96Å; L276-V893 HydrophobicContact CB-CG2 3.83Å; L276-V893 WeakPolarHBondContact O-CG1 2.96Å; E277-V893 WeakPolarHBondContact O-CB 3.31Å; E277-V893 PolarHBondContact O-N 2.65Å; L279-V893 HydrophobicContact CD2-CG2 4.08Å; L279-V893 HydrophobicContact CG-CG2 3.91Å; H332-V893 WeakPolarHBondContact CE1-CG1 3.47Å; H332-V893 WeakPolarHBondContact NE2-CG1 3.46Å; H332-V893 PolarHBondContact NE2-O 3.28Å; Y891-V893 HydrophobicContact CD1-CG2 4.37Å; Y891-V893 HydrophobicContact CE1-CG2 4.49Å
894	K	82.8	Confident	59.4	Low	99 Å²	99	91 Å²	91	43%	0.43	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	14.9	-179	-57.9	-169.7	-167.2	160.9	0	114.4	L276 E277 S892 Q896	L276-K894 WeakPolarHBondContact O-CE 3.31Å; E277-K894 IonicContact OE1-NZ 2.86Å; E277-K894 PolarHBondContact OE1-NZ 3.18Å; E277-K894 WeakPolarHBondContact OE2-CD 3.48Å; E277-K894 WeakPolarHBondContact OE2-CE 3.44Å; E277-K894 IonicContact OE2-NZ 2.8Å; E277-K894 PolarHBondContact OE2-NZ 3.26Å; S892-K894 PolarHBondContact O-N 3.32Å; K894-Q896 PolarHBondContact O-N 3.14Å
895	A	66.9	Low	58.5	Low	32 Å²	32	89.5 Å²	89.5	26%	0.264	49%	0.488	S	S	.	.			trans	-75.8	56.4	-178.7	0	0	0	0	0	114.7	V880 S892	V880-A895 HydrophobicContact CB-CB 4.5Å; S892-A895 WeakPolarHBondContact O-CB 3.46Å; S892-A895 PolarHBondContact O-N 2.96Å
896	Q	48.9	Very low	57.1	Low	54 Å²	54	91.7 Å²	91.7	25%	0.252	52%	0.516	S	S	.	.			trans	-139.9	156.9	163	-65.8	-166.6	-12.7	0	0	110	G877 V879 K894	G877-Q896 PolarHBondContact O-NE2 3.06Å; V879-Q896 HydrophobicContact CG2-CG 4.5Å; K894-Q896 PolarHBondContact O-N 3.14Å
897	F	39.1	Very low	55.3	Low	209 Å²	209	90 Å²	90	92%	0.917	52%	0.522	S	S	*	.	S	Bend	trans	85.8	-7.1	-167.5	-60.9	-66.5	0	0	0	118.6	T899	F897-T899 PolarHBondContact O-N 3.07Å
898	K	33	Very low	53.2	Low	200 Å²	200	92.5 Å²	92.5	87%	0.87	54%	0.539	S	S	*	.			trans	-87.9	83.1	154.6	-76.3	-171.3	178.3	-178.5	0	109.6
899	T	31.4	Very low	50.4	Low	113 Å²	113	100.2 Å²	100.2	69%	0.693	57%	0.567	S	S	*	*			trans	-62.3	156.7	155.3	50.2	0	0	0	0	108.9	F897 S901	F897-T899 PolarHBondContact O-N 3.07Å; T899-S901 PolarHBondContact O-N 2.99Å
900	S	32.4	Very low	47.7	Very low	118 Å²	118	108.6 Å²	108.6	83%	0.825	60%	0.602	S	S	*	*	S	Bend	trans	-73.1	46.1	-173.7	-50.1	0	0	0	0	114.3
901	S	27.6	Very low	44.7	Very low	96 Å²	96	113.5 Å²	113.5	67%	0.671	63%	0.625	S	S	*	*			trans	-95.9	6.6	-172.2	-165.8	0	0	0	0	114.2	T899	T899-S901 PolarHBondContact O-N 2.99Å
902	S	30.8	Very low	41.6	Very low	91 Å²	91	117.9 Å²	117.9	64%	0.636	66%	0.661	S	S	*	*	S	Bend	trans	-124	12.7	-173.8	77.4	0	0	0	0	115.4
903	Y	34.3	Very low	38.7	Very low	223 Å²	223	128.8 Å²	128.8	88%	0.875	70%	0.698	S	S	*	*	S	Bend	trans	-137.3	6.4	176.7	-90.6	-71.3	0	0	0	115.5
904	T	35.7	Very low	35.7	Very low	125 Å²	125	132.1 Å²	132.1	77%	0.767	73%	0.734	S	S	*	*	S	Bend	trans	-130.9	52.4	175.5	60	0	0	0	0	111.7
905	A	30.3	Very low	33.1	Very low	100 Å²	100	131.1 Å²	131.1	83%	0.826	75%	0.752	S	S	*	*			trans	-136.9	69.7	177.8	0	0	0	0	0	109.7
906	G	28	Very low	31.2	Very low	82 Å²	82	138.8 Å²	138.8	85%	0.845	78%	0.782	S	S	*	*			trans	-153.6	49	-163	0	0	0	0	0	115.7
907	G	26.3	Very low	30.3	Very low	64 Å²	64	145 Å²	145	66%	0.66	81%	0.811	S	S	*	*			trans	107.5	126	159.6	0	0	0	0	0	117
908	L	28.9	Very low	29.9	Very low	174 Å²	174	139 Å²	139	91%	0.911	81%	0.807	S	S	*	*			trans	62.6	150.8	167.7	-60.5	90.4	0	0	0	115.5
909	Y	29.9	Very low	29.7	Very low	220 Å²	220	133.3 Å²	133.3	86%	0.863	81%	0.806	S	S	*	*			cis	-135	172.9	8.2	50.3	-83.7	0	0	0	111.3
910	K	30	Very low	29.5	Very low	183 Å²	183	137.8 Å²	137.8	80%	0.796	82%	0.819	S	S	*	*			trans	-127	119.9	-176.7	171.4	-154	176.9	-162.4	0	108.5
911	E	29	Very low	29.4	Very low	163 Å²	163	135.9 Å²	135.9	76%	0.762	82%	0.818	S	S	*	*			trans	175.1	130.7	152.3	-96.5	144	-143.7	0	0	106.5
912	A	28.8	Very low	29.5	Very low	92 Å²	92	137.8 Å²	137.8	76%	0.76	83%	0.831	S	S	*	*				77.6	90.3	52.1	0	0	0	0	0	112.3
913	W	28.7	Very low	29.4	Very low	259 Å²	259	137.2 Å²	137.2	98%	0.981	84%	0.84	S	S	*	*			trans	-93.6	105.8	170.2	-74.6	91.4	0	0	0	110.1
914	G	26.7	Very low	29.1	Very low	78 Å²	78	137.1 Å²	137.1	80%	0.804	84%	0.838	S	S	*	*			trans	-120.6	140.6	151.2	0	0	0	0	0	106.8
915	G	27.5	Very low	28.8	Very low	78 Å²	78	139.5 Å²	139.5	80%	0.804	85%	0.845	S	S	*	*			trans	-124.2	145.4	-177.5	0	0	0	0	0	111.3
916	E	28.2	Very low	28.7	Very low	192 Å²	192	139.7 Å²	139.7	90%	0.897	84%	0.836	S	S	*	*			trans	-150.7	-169.7	165.5	-139.1	170.7	103.6	0	0	110
917	E	30.4	Very low	28.8	Very low	186 Å²	186	142.1 Å²	142.1	87%	0.869	84%	0.837	S	S	*	*			trans	-87.6	160.4	-154.7	-57.9	-178.4	109.2	0	0	117
918	G	29.7	Very low	28.7	Very low	81 Å²	81	144.2 Å²	144.2	84%	0.835	84%	0.841	S	S	*	*				99.4	155.9	128.4	0	0	0	0	0	119.3
919	G	28.1	Very low	28.9	Very low	82 Å²	82	146.3 Å²	146.3	85%	0.845	84%	0.837	S	S	*	*			trans	111.9	116.7	162.1	0	0	0	0	0	116.4
920	E	29.1	Very low	29	Very low	207 Å²	207	139.9 Å²	139.9	97%	0.967	82%	0.824	S	S	*	*			trans	-75.7	150.7	159.9	-64.2	176.2	93.5	0	0	110.6
921	G	29	Very low	29.1	Very low	78 Å²	78	139.7 Å²	139.7	80%	0.804	83%	0.826	S	S	*	*			trans	-175.4	114.7	174.6	0	0	0	0	0	114.5
922	S	30.6	Very low	29.1	Very low	135 Å²	135	138.3 Å²	138.3	94%	0.944	82%	0.823	S	S	*	*			trans	-81.8	127.8	173.7	-173.5	0	0	0	0	111.1
923	G	28.5	Very low	29	Very low	79 Å²	79	139.5 Å²	139.5	81%	0.814	82%	0.82	S	S	*	*			trans	-144.7	81.8	-172.3	0	0	0	0	0	113.9
924	R	28	Very low	29	Very low	221 Å²	221	137.6 Å²	137.6	83%	0.834	81%	0.813	S	S	*	*			trans	-90.2	114.5	-177.6	179.2	-170.7	-169.7	-116.5	10.9	112.1
925	L	28.5	Very low	29.3	Very low	176 Å²	176	140 Å²	140	92%	0.921	81%	0.812	S	S	*	*			trans	-132.4	150.7	162.6	-76.1	179.1	0	0	0	112.4
926	T	28.4	Very low	29.6	Very low	104 Å²	104	142.3 Å²	142.3	64%	0.638	81%	0.813	S	S	*	*			trans	-118.4	149.1	-161.6	48.4	0	0	0	0	113.6
927	P	29.9	Very low	29.7	Very low	132 Å²	132	138.8 Å²	138.8	86%	0.857	81%	0.809	S	S	*	*			trans	-80.4	148.6	172.6	33.7	-34.9	0	0	0	113
928	S	25.9	Very low	29.8	Very low	109 Å²	109	138 Å²	138	76%	0.762	81%	0.811	S	S	*	*			trans	-126.5	125.9	164.3	-167.6	0	0	0	0	107.6
929	R	31.1	Very low	29.6	Very low	218 Å²	218	137.9 Å²	137.9	82%	0.823	81%	0.809	S	S	*	*				60.6	127.9	61.3	-130.4	-154.9	177.9	-177.8	-1	111
930	S	33.4	Very low	29.7	Very low	84 Å²	84	145 Å²	145	59%	0.587	81%	0.811	S	S	*	*			cis	-147.4	-178.8	8.8	-37.1	0	0	0	0	108.4
931	Q	30.9	Very low	29.6	Very low	179 Å²	179	144.8 Å²	144.8	84%	0.836	81%	0.809	S	S	*	*			cis	-140.7	152.5	18.2	-59.6	175	-9.2	0	0	107.7
932	I	30.5	Very low	29.6	Very low	134 Å²	134	144.4 Å²	144.4	69%	0.687	81%	0.806	S	S	*	*			cis	79.8	114.1	39.6	-55.6	173.2	0	0	0	114.8
933	V	26.4	Very low	29.5	Very low	117 Å²	117	142.2 Å²	142.2	71%	0.709	81%	0.805	S	S	*	*			trans	150.5	130.6	144.3	159.7	0	0	0	0	108.3
934	R	28.5	Very low	29.4	Very low	219 Å²	219	142.4 Å²	142.4	83%	0.826	81%	0.806	S	S	*	*			cis	-155.3	159.8	-19.6	-107.3	-174.7	-177.9	103	-4.3	107.8
935	T	33.3	Very low	29.4	Very low	128 Å²	128	136 Å²	136	79%	0.785	81%	0.808	S	S	*	*			trans	-111.8	157.1	162.4	48.7	0	0	0	0	110.8
936	P	33.9	Very low	29.5	Very low	128 Å²	128	131.6 Å²	131.6	83%	0.831	81%	0.806	S	S	*	*			trans	-93	166.5	151.3	35.3	-29.3	0	0	0	111
937	S	29.3	Very low	29.6	Very low	117 Å²	117	130.7 Å²	130.7	82%	0.818	82%	0.817	S	S	*	*			trans	-128.6	168.9	-157.4	54.4	0	0	0	0	115.5
938	L	32.4	Very low	29.9	Very low	171 Å²	171	136.2 Å²	136.2	90%	0.895	82%	0.821	S	S	*	*			trans	-59.9	149.4	166.9	-74.5	159.1	0	0	0	112
939	G	26.5	Very low	30.3	Very low	78 Å²	78	136 Å²	136	80%	0.804	83%	0.826	S	S	*	*			trans	-107.3	142.8	162	0	0	0	0	0	110.9
940	R	29.9	Very low	30.5	Very low	232 Å²	232	129.9 Å²	129.9	88%	0.875	82%	0.822	S	S	*	*			trans	-153	109.5	179.8	179.9	-163.7	-177.8	-91.1	2.8	112
941	E	27.8	Very low	30.7	Very low	201 Å²	201	133 Å²	133	94%	0.939	84%	0.837	S	S	*	*			trans	-145.1	158.4	159.1	-67	-161.8	139.4	0	0	108.4
942	G	29.1	Very low	31.4	Very low	71 Å²	71	128.9 Å²	128.9	73%	0.732	83%	0.828	S	S	*	*			cis	168.9	133.8	-7.4	0	0	0	0	0	112.3
943	G	27.7	Very low	31.7	Very low	89 Å²	89	129.4 Å²	129.4	92%	0.918	83%	0.827	S	S	*	*			trans	84.2	155	174	0	0	0	0	0	116.2
944	G	26.5	Very low	32.5	Very low	83 Å²	83	132.4 Å²	132.4	86%	0.856	83%	0.834	S	S	*	*			trans	160.9	-28.5	168.8	0	0	0	0	0	120.7
945	G	27.3	Very low	33.1	Very low	85 Å²	85	129.9 Å²	129.9	88%	0.876	84%	0.836	S	S	*	*			trans	73.2	156.9	169.2	0	0	0	0	0	119.6
946	G	29.9	Very low	33.5	Very low	85 Å²	85	132.7 Å²	132.7	88%	0.876	83%	0.832	S	S	*	*			trans	107.6	120.7	157.6	0	0	0	0	0	118.7
947	G	31.2	Very low	33.7	Very low	84 Å²	84	130.9 Å²	130.9	87%	0.866	82%	0.822	S	S	*	*			trans	90.1	104.1	149.4	0	0	0	0	0	119.1
948	R	36.9	Very low	34.1	Very low	249 Å²	249	135.8 Å²	135.8	94%	0.94	82%	0.822	S	S	*	*			trans	-122.5	155.1	152.2	-90.2	-170.9	170.7	-161.7	-1.6	109.1
949	A	33.3	Very low	34.4	Very low	104 Å²	104	137.5 Å²	137.5	86%	0.86	82%	0.818	S	S	*	*			trans	67.2	97.6	170.2	0	0	0	0	0	117.8
950	A	35.7	Very low	35	Very low	90 Å²	90	141.8 Å²	141.8	74%	0.744	82%	0.817	S	S	*	*			trans	-172.5	65.7	150.2	0	0	0	0	0	111.5
951	V	38.7	Very low	35.3	Very low	149 Å²	149	141.6 Å²	141.6	90%	0.903	82%	0.817	S	S	*	*			trans	-134.9	60.2	174.4	-167.4	0	0	0	0	110.2
952	S	43.9	Very low	35.7	Very low	92 Å²	92	137.6 Å²	137.6	64%	0.643	81%	0.811	S	S	*	*	S	Bend	trans	-149.7	15.4	-177.2	51.3	0	0	0	0	114.5
953	E	37.6	Very low	35.8	Very low	145 Å²	145	139.3 Å²	139.3	68%	0.678	81%	0.811	S	S	*	*	S	Bend	trans	-127.3	-31.3	-176	-66.8	-169.4	116.4	0	0	115.3	L955 R956	E953-L955 PolarHBondContact O-N 3.22Å; E953-R956 PolarHBondContact O-N 3.14Å
954	E	43.4	Very low	35.9	Very low	180 Å²	180	138.8 Å²	138.8	84%	0.841	81%	0.806	S	S	*	*	H	α-helix	trans	-60	-31.8	179.1	-72.3	-164.7	117	0	0	113.3	R956 C957	E954-R956 PolarHBondContact O-N 2.85Å; E954-C957 PolarHBondContact O-N 3.11Å
955	L	40.8	Very low	36.1	Very low	166 Å²	166	140.4 Å²	140.4	87%	0.869	81%	0.805	S	S	*	*	H	α-helix	trans	-69.6	-10.5	175.8	-80.8	169.7	0	0	0	114.6	E953	E953-L955 PolarHBondContact O-N 3.22Å
956	R	41	Very low	36	Very low	187 Å²	187	143.8 Å²	143.8	71%	0.706	80%	0.802	S	S	*	*	H	α-helix	trans	-86.3	-34.2	168.8	-80.1	-170.3	174.4	92.2	0.3	113	E953 E954 W958	E953-R956 PolarHBondContact O-N 3.14Å; E954-R956 PolarHBondContact O-N 2.85Å; R956-W958 VanDerWaalsContact C-N 3.27Å; R956-W958 PolarHBondContact O-N 3.36Å
957	C	38.1	Very low	36	Very low	91 Å²	91	146.8 Å²	146.8	62%	0.615	79%	0.791	S	S	*	*	H	α-helix	trans	-72.8	-15.6	-170.8	-70.4	0	0	0	0	114.7	E954	E954-C957 PolarHBondContact O-N 3.11Å
958	W	38.3	Very low	35.7	Very low	220 Å²	220	149.6 Å²	149.6	83%	0.833	78%	0.781	S	S	*	*	S	Bend	trans	-86.3	-31.8	-178.5	-150.2	75.6	0	0	0	113.8	R956 Q960	R956-W958 VanDerWaalsContact C-N 3.27Å; R956-W958 PolarHBondContact O-N 3.36Å; W958-Q960 VanDerWaalsContact C-N 3.29Å; W958-Q960 PolarHBondContact O-N 3Å
959	Y	37.9	Very low	35.2	Very low	206 Å²	206	147.8 Å²	147.8	81%	0.808	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-11.7	-174.7	-115.1	-87	0	0	0	114.6
960	Q	39.7	Very low	34.9	Very low	168 Å²	168	147 Å²	147	79%	0.785	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	23.9	-169.5	-154.7	150	-1.4	0	0	113.9	W958	W958-Q960 VanDerWaalsContact C-N 3.29Å; W958-Q960 PolarHBondContact O-N 3Å
961	R	36.8	Very low	34.6	Very low	229 Å²	229	151 Å²	151	86%	0.864	77%	0.766	S	S	*	*	S	Bend	trans	-124.5	14.6	176.1	-65.6	-173.3	-177.7	-105.6	2	114.5
962	S	34.8	Very low	34.1	Very low	116 Å²	116	147.7 Å²	147.7	81%	0.811	75%	0.749	S	S	*	*	S	Bend	trans	-119.4	25.7	-174.1	-153.9	0	0	0	0	113.9
963	S	32.1	Very low	33.4	Very low	107 Å²	107	151.2 Å²	151.2	75%	0.748	76%	0.755	S	S	*	*			trans	-136.8	101.7	-176.9	57.8	0	0	0	0	112
964	G	29.5	Very low	32.9	Very low	79 Å²	79	150.1 Å²	150.1	81%	0.814	76%	0.764	S	S	*	*			trans	128	95.1	166.1	0	0	0	0	0	115.4
965	S	30.2	Very low	32.1	Very low	117 Å²	117	144.7 Å²	144.7	82%	0.818	76%	0.755	S	S	*	*				-176.4	142.2	101.1	-157.1	0	0	0	0	112.1
966	L	27.2	Very low	31.7	Very low	156 Å²	156	142.1 Å²	142.1	82%	0.817	75%	0.751	S	S	*	*			trans	-81.6	171.9	153.1	-79.1	66.7	0	0	0	107.3
967	K	28	Very low	31.1	Very low	148 Å²	148	139.1 Å²	139.1	64%	0.643	75%	0.754	S	S	*	*				170.4	141.9	56.7	-167.1	173.9	-177.7	-94.5	0	109.3
968	E	26.4	Very low	30.7	Very low	142 Å²	142	139.8 Å²	139.8	66%	0.664	76%	0.76	S	S	*	*			trans	59.3	163.7	159.5	-74.4	157.4	-175.5	0	0	118.3
969	R	26.1	Very low	30.4	Very low	212 Å²	212	134.7 Å²	134.7	80%	0.8	76%	0.758	S	S	*	*			cis	-150.8	120.9	-5.9	-128.2	168.3	171.6	-162.9	-3.1	106.3
970	S	25.8	Very low	30.2	Very low	88 Å²	88	132 Å²	132	62%	0.615	76%	0.757	S	S	*	*				79.2	140.5	92.4	-54.7	0	0	0	0	117.5
971	H	31.1	Very low	29.8	Very low	173 Å²	173	130.1 Å²	130.1	80%	0.801	76%	0.757	S	S	*	*			trans	76.6	148.4	164.6	-52.1	-66.7	0	0	0	118.8
972	S	27.1	Very low	29.5	Very low	79 Å²	79	122.8 Å²	122.8	55%	0.552	75%	0.754	S	S	*	*			cis	-171.6	171.2	-31.5	43.8	0	0	0	0	112.7
973	H	28.8	Very low	29.6	Very low	166 Å²	166	121.6 Å²	121.6	77%	0.769	75%	0.745	S	S	*	*			trans	82.6	139.6	161.2	-50.3	-69	0	0	0	122.9
974	S	28.3	Very low	29.8	Very low	123 Å²	123	124 Å²	124	86%	0.86	75%	0.745	S	S	*	*			trans	49	150.2	141.4	57.3	0	0	0	0	122.4
975	G	27.1	Very low	29.9	Very low	65 Å²	65	128.8 Å²	128.8	67%	0.67	75%	0.746	S	S	*	*			cis	157.8	170.1	-1.1	0	0	0	0	0	111.5
976	S	30.8	Very low	29.9	Very low	112 Å²	112	126.3 Å²	126.3	78%	0.783	74%	0.739	S	S	*	*			trans	60.7	107	159.7	-52.9	0	0	0	0	119
977	T	29.3	Very low	30.4	Very low	124 Å²	124	125.2 Å²	125.2	76%	0.761	74%	0.738	S	S	*	*				67.1	127.4	85.7	61.3	0	0	0	0	118.4
978	S	30.4	Very low	30.7	Very low	106 Å²	106	126.4 Å²	126.4	74%	0.741	75%	0.751	S	S	*	*			trans	62.7	163	149.1	54.1	0	0	0	0	120.9
979	S	32.1	Very low	30.9	Very low	113 Å²	113	122.8 Å²	122.8	79%	0.79	75%	0.752	S	S	*	*			cis	-172.9	159.2	-31.4	-84.8	0	0	0	0	111
980	D	32.4	Very low	31.3	Very low	149 Å²	149	122.4 Å²	122.4	80%	0.797	76%	0.759	S	S	*	*			trans	79.7	159.9	143.9	-151.7	24.2	0	0	0	123.7
981	T	32	Very low	31.5	Very low	128 Å²	128	121.3 Å²	121.3	79%	0.785	76%	0.762	S	S	*	*			trans	73.7	144.3	172.6	72.1	0	0	0	0	117.4
982	G	30.8	Very low	31.7	Very low	76 Å²	76	125.8 Å²	125.8	78%	0.784	77%	0.771	S	S	*	*			cis	141.4	150.3	-1.7	0	0	0	0	0	110.7
983	S	36.4	Very low	31.9	Very low	91 Å²	91	125.3 Å²	125.3	64%	0.636	78%	0.779	S	S	*	*			cis	-167	170.1	-10.6	71	0	0	0	0	110.4
984	Q	35.1	Very low	32	Very low	158 Å²	158	123 Å²	123	74%	0.738	78%	0.781	S	S	*	*			trans	67.7	164.3	151.5	-73.1	-179	107.3	0	0	119.4
985	Q	32.8	Very low	32.5	Very low	178 Å²	178	127.8 Å²	127.8	83%	0.832	78%	0.781	S	S	*	*			cis	-175.1	163.2	-19.4	171.6	-178.2	82.8	0	0	109
986	G	31	Very low	32.7	Very low	65 Å²	65	131.5 Å²	131.5	67%	0.67	79%	0.79	S	S	*	*			trans	135.3	159.3	162.9	0	0	0	0	0	118.1
987	T	35.7	Very low	32.6	Very low	133 Å²	133	129.3 Å²	129.3	82%	0.816	79%	0.785	S	S	*	*			trans	-149.6	171.4	-167.3	48.5	0	0	0	0	115.8
988	L	34.8	Very low	32.9	Very low	173 Å²	173	128.8 Å²	128.8	91%	0.906	79%	0.787	S	S	*	*			trans	92.1	136.6	159.9	-55.9	175.7	0	0	0	122
989	G	30.6	Very low	32.9	Very low	66 Å²	66	131.2 Å²	131.2	68%	0.68	79%	0.79	S	S	*	*			trans	117.4	110.5	133.6	0	0	0	0	0	121.4
990	H	34.5	Very low	33	Very low	204 Å²	204	129.9 Å²	129.9	94%	0.944	79%	0.787	S	S	*	*			trans	15.9	161.6	148.7	-51.4	-73.5	0	0	0	123.4
991	G	31.3	Very low	33.1	Very low	66 Å²	66	133 Å²	133	68%	0.68	79%	0.793	S	S	*	*			cis	158.7	156.6	-4.9	0	0	0	0	0	114.2
992	R	34	Very low	32.8	Very low	266 Å²	266	130.2 Å²	130.2	100%	1.004	79%	0.789	S	S	*	*			trans	70.6	156.5	179.3	-56.1	179.4	170.4	-163.4	-2.4	116.8
993	G	30.7	Very low	33	Very low	70 Å²	70	132.1 Å²	132.1	72%	0.722	79%	0.791	S	S	*	*			cis	163.7	155.3	-14.7	0	0	0	0	0	115.6
994	S	32.3	Very low	33.7	Very low	116 Å²	116	133.7 Å²	133.7	81%	0.811	80%	0.799	S	S	*	*			trans	73.1	154.7	166.7	-86.8	0	0	0	0	120.6
995	R	37.5	Very low	33.6	Very low	225 Å²	225	130.8 Å²	130.8	85%	0.849	80%	0.802	S	S	*	*			cis	-169.6	173.6	-22.5	-121.7	-176	-172.1	-154.6	3.2	114
996	V	32.1	Very low	33.3	Very low	142 Å²	142	126.7 Å²	126.7	86%	0.861	80%	0.799	S	S	*	*			trans	84.3	144.5	169	-170	0	0	0	0	116.6
997	G	28.8	Very low	33.2	Very low	66 Å²	66	129.1 Å²	129.1	68%	0.68	81%	0.805	S	S	*	*			cis	147.5	134.6	-21.3	0	0	0	0	0	118.7
998	S	36.5	Very low	34.5	Very low	114 Å²	114	128.3 Å²	128.3	80%	0.797	80%	0.802	S	S	*	*			trans	78.9	150.9	159.9	-141.4	0	0	0	0	118.7
999	L	30.1	Very low	34.2	Very low	156 Å²	156	129.5 Å²	129.5	82%	0.817	80%	0.802	S	S	*	*			cis	-120.6	145.3	10.7	-91.8	82.7	0	0	0	111.7
1000	A	32.7	Very low	34.2	Very low	86 Å²	86	131.4 Å²	131.4	71%	0.711	81%	0.806	S	S	*	*				86.4	144.5	68.7	0	0	0	0	0	114.3
1001	K	35.9	Very low	34.1	Very low	215 Å²	215	130.3 Å²	130.3	94%	0.935	80%	0.801	S	S	*	*			cis	-161.3	157.9	-0.5	-148.5	178.1	-177.2	-179.5	0	111.4
1002	G	24.6	Very low	33.9	Very low	68 Å²	68	138.2 Å²	138.2	70%	0.701	81%	0.81	S	S	*	*			trans	166.3	126.2	166	0	0	0	0	0	115.7
1003	S	35.6	Very low	33.9	Very low	117 Å²	117	130.3 Å²	130.3	82%	0.818	80%	0.796	S	S	*	*			trans	-159.9	163.3	177.9	-48.9	0	0	0	0	109.4
1004	P	51.4	Low	33.8	Very low	124 Å²	124	134.9 Å²	134.9	81%	0.805	80%	0.803	S	S	*	*				-128.2	155	75	5.2	19.7	0	0	0	113.7
1005	A	31.9	Very low	33.9	Very low	97 Å²	97	135.1 Å²	135.1	80%	0.802	80%	0.8	S	S	*	*				77.9	149.2	71.6	0	0	0	0	0	114.2
1006	A	27.4	Very low	34.4	Very low	92 Å²	92	129.8 Å²	129.8	76%	0.76	79%	0.794	S	S	*	*			cis	-149.7	-174.2	16.4	0	0	0	0	0	114.8
1007	S	28.4	Very low	34.4	Very low	116 Å²	116	128 Å²	128	81%	0.811	79%	0.788	S	S	*	*			trans	-161.3	-168.7	174.4	-60.6	0	0	0	0	108
1008	P	63.5	Low	34.7	Very low	115 Å²	115	130 Å²	130	75%	0.747	79%	0.791	S	S	*	*				-114.5	-178	-68.1	39.6	-28.1	0	0	0	111.9
1009	H	28	Very low	34.4	Very low	198 Å²	198	132.4 Å²	132.4	92%	0.917	79%	0.79	S	S	*	*			trans	-158.5	174.7	155.8	-116.5	66.1	0	0	0	113.9
1010	S	31.6	Very low	34.6	Very low	107 Å²	107	132.3 Å²	132.3	75%	0.748	79%	0.785	S	S	*	*			trans	-149.8	-178	-166.4	-170.5	0	0	0	0	113.7
1011	Q	30.9	Very low	34.9	Very low	181 Å²	181	133.8 Å²	133.8	85%	0.846	79%	0.787	S	S	*	*			trans	80.6	149.3	-173.6	-52.1	-170.9	8.2	0	0	114.5
1012	R	28.5	Very low	34.6	Very low	231 Å²	231	127.8 Å²	127.8	87%	0.872	78%	0.778	S	S	*	*			cis	-144.2	167.9	27.6	-156.3	-178.6	-166.5	-158.2	4.3	114.2
1013	S	34.2	Very low	34.8	Very low	100 Å²	100	131.3 Å²	131.3	70%	0.699	79%	0.786	S	S	*	*			trans	-60.9	166.4	-176.9	-29.1	0	0	0	0	116
1014	L	28.3	Very low	34.9	Very low	166 Å²	166	131.5 Å²	131.5	87%	0.869	78%	0.784	S	S	*	*				-156.1	168.6	64.5	-80.9	167.5	0	0	0	115.6
1015	T	34.1	Very low	34	Very low	122 Å²	122	132 Å²	132	75%	0.748	79%	0.786	S	S	*	*			trans	-87.5	179.1	177.6	39.2	0	0	0	0	113.3
1016	P	46.8	Very low	35.5	Very low	113 Å²	113	132.8 Å²	132.8	73%	0.734	78%	0.782	S	S	*	*			cis	-118.6	150.4	12.8	14.2	12.1	0	0	0	115.8
1017	S	33.9	Very low	36.1	Very low	104 Å²	104	134.6 Å²	134.6	73%	0.727	79%	0.787	S	S	*	*				76.9	134.6	74.6	-47.5	0	0	0	0	114.2
1018	S	35.3	Very low	36	Very low	108 Å²	108	134.7 Å²	134.7	76%	0.755	79%	0.786	S	S	*	*			cis	-164.1	176.8	-8.4	44.9	0	0	0	0	107.5
1019	E	28.8	Very low	34.5	Very low	165 Å²	165	134.5 Å²	134.5	77%	0.771	79%	0.787	S	S	*	*			cis	-130.5	173.1	14.1	-90.9	-156.6	85.2	0	0	110.3
1020	H	34.8	Very low	35.9	Very low	153 Å²	153	130.7 Å²	130.7	71%	0.708	78%	0.78	S	S	*	*			cis	77.4	138.2	42.7	-63.9	-61.1	0	0	0	117
1021	P	39.5	Very low	35.6	Very low	117 Å²	117	135.2 Å²	135.2	76%	0.76	79%	0.789	S	S	*	*			cis	-123.1	156.6	-30.2	38.1	-24.7	0	0	0	112.8
1022	A	29.1	Very low	35.6	Very low	89 Å²	89	134.9 Å²	134.9	74%	0.736	79%	0.787	S	S	*	*			cis	101.6	98	16.7	0	0	0	0	0	116.7
1023	T	28.6	Very low	35.5	Very low	142 Å²	142	130.8 Å²	130.8	87%	0.871	78%	0.781	S	S	*	*			trans	-151.4	140.7	159.2	-40.2	0	0	0	0	111.5
1024	P	37.5	Very low	35.2	Very low	121 Å²	121	133 Å²	133	79%	0.786	78%	0.784	S	S	*	*			trans	-116.3	-163.4	-174.4	43.3	-34	0	0	0	115.7
1025	T	32.9	Very low	35.1	Very low	136 Å²	136	131.7 Å²	131.7	83%	0.834	78%	0.777	S	S	*	*			trans	-95.9	-161.6	-172.4	53.6	0	0	0	0	114.1
1026	P	62.5	Low	34.8	Very low	112 Å²	112	137.8 Å²	137.8	73%	0.727	79%	0.787	S	S	*	*				-117.4	176.7	-98.3	40.5	-24.6	0	0	0	115.3
1027	P	40.9	Very low	33.8	Very low	131 Å²	131	141.7 Å²	141.7	85%	0.851	79%	0.792	S	S	*	*			trans	-146.9	-163.9	136.7	37.9	-20	0	0	0	115.4
1028	C	27.3	Very low	33.6	Very low	117 Å²	117	142.5 Å²	142.5	79%	0.791	80%	0.798	S	S	*	*			trans	-116.5	142.8	-157.3	-53.9	0	0	0	0	117.9
1029	S	30.2	Very low	33.2	Very low	112 Å²	112	141.1 Å²	141.1	78%	0.783	80%	0.801	S	S	*	*			trans	68	-172	139.9	-47.4	0	0	0	0	118.7
1030	P	58.6	Low	33.1	Very low	117 Å²	117	137 Å²	137	76%	0.76	80%	0.802	S	S	*	*				-137.7	152.5	-96.7	40.8	-22.5	0	0	0	117.6
1031	Q	25.9	Very low	32.8	Very low	202 Å²	202	136.9 Å²	136.9	94%	0.944	81%	0.813	S	S	*	*			trans	-148.6	-175.4	160.7	-79.6	-146.6	5.1	0	0	113.7
1032	H	30.1	Very low	32.3	Very low	175 Å²	175	136 Å²	136	81%	0.81	82%	0.815	S	S	*	*			trans	-140.9	167.8	-151	-131.3	-96	0	0	0	112.7
1033	I	26.6	Very low	32.4	Very low	145 Å²	145	139.3 Å²	139.3	74%	0.744	82%	0.821	S	S	*	*			trans	77	130.2	172.6	-53.2	152.5	0	0	0	112.3
1034	I	27.7	Very low	32.3	Very low	147 Å²	147	138.7 Å²	138.7	75%	0.754	82%	0.822	S	S	*	*				-151.3	122.8	75.1	-72.6	158.7	0	0	0	107.5
1035	N	25.4	Very low	31.9	Very low	137 Å²	137	138.3 Å²	138.3	73%	0.733	82%	0.823	S	S	*	*				64.2	81.6	70.8	-142.3	43.4	0	0	0	115.4
1036	W	28.2	Very low	32.5	Very low	251 Å²	251	138 Å²	138	95%	0.951	82%	0.822	S	S	*	*			trans	-72.6	135.8	173.8	-79.2	64.5	0	0	0	111.7
1037	K	25.8	Very low	30.9	Very low	194 Å²	194	138.1 Å²	138.1	84%	0.843	82%	0.822	S	S	*	*			trans	-104.5	143.1	166.8	-88.8	-168.8	172.2	-172.7	0	110.4
1038	S	30.7	Very low	30.3	Very low	122 Å²	122	140.6 Å²	140.6	85%	0.853	82%	0.822	S	S	*	*			trans	-70.4	144.4	166.6	-175.3	0	0	0	0	110.7
1039	G	26.6	Very low	30.4	Very low	79 Å²	79	142.1 Å²	142.1	81%	0.814	82%	0.822	S	S	*	*			trans	-123	121	164.1	0	0	0	0	0	108.4
1040	G	26.9	Very low	30.3	Very low	77 Å²	77	142.4 Å²	142.4	79%	0.794	82%	0.819	S	S	*	*			trans	-111.9	151.8	173.5	0	0	0	0	0	110.7
1041	T	28.4	Very low	28.9	Very low	151 Å²	151	142.2 Å²	142.2	93%	0.926	82%	0.819	S	S	*	*			trans	-98.6	137.8	169.9	48.3	0	0	0	0	109.4
1042	A	29	Very low	28.9	Very low	99 Å²	99	142 Å²	142	82%	0.818	82%	0.818	S	S	*	*			trans	-130.9	160.2	-179.7	0	0	0	0	0	110.9
1043	D	30.3	Very low	29	Very low	159 Å²	159	138.9 Å²	138.9	85%	0.85	82%	0.816	S	S	*	*			trans	-65.3	159	-169.4	-62.7	-73.7	0	0	0	115.5
1044	S	27.3	Very low	30	Very low	128 Å²	128	137.8 Å²	137.8	90%	0.895	82%	0.818	S	S	*	*			trans	-154.5	112.6	154.5	-71.6	0	0	0	0	109.7
1045	S	28.8	Very low	30.7	Very low	114 Å²	114	136.5 Å²	136.5	80%	0.797	82%	0.819	S	S	*	*			trans	-97	163.5	170.7	54.2	0	0	0	0	111.1
1046	P	45.4	Very low	31	Very low	128 Å²	128	138.7 Å²	138.7	83%	0.831	83%	0.825	S	S	*	*			trans	-132	-177.3	132.6	36.4	-25.7	0	0	0	113
1047	T	29	Very low	32.1	Very low	116 Å²	116	132.1 Å²	132.1	71%	0.712	82%	0.815	S	S	*	*			trans	-103.9	152.6	-162.1	46.4	0	0	0	0	114.7
1048	E	29.2	Very low	32.3	Very low	183 Å²	183	128.6 Å²	128.6	86%	0.855	82%	0.815	S	S	*	*			trans	52.1	145	142.3	-58.8	174.2	152.2	0	0	118.3
1049	D	28.3	Very low	32.4	Very low	148 Å²	148	127 Å²	127	79%	0.791	80%	0.804	S	S	*	*			cis	-170.4	-178.9	41.8	-171.9	14	0	0	0	111.1
1050	V	27.9	Very low	33	Very low	118 Å²	118	130.5 Å²	130.5	72%	0.715	80%	0.803	S	S	*	*			trans	83.8	136.4	160.6	-168.8	0	0	0	0	119.4
1051	C	28.7	Very low	33.5	Very low	113 Å²	113	135.5 Å²	135.5	76%	0.764	84%	0.838	S	S	*	*			trans	-94.2	158.7	-179.1	-43.4	0	0	0	0	114.2
1052	Q	27.5	Very low	33.8	Very low	198 Å²	198	134.8 Å²	134.8	93%	0.925	83%	0.833	S	S	*	*			trans	-166.2	170.7	132	-111.8	162.8	72.9	0	0	115
1053	S	30.8	Very low	34	Very low	110 Å²	110	136.6 Å²	136.6	77%	0.769	83%	0.834	S	S	*	*			trans	-100.2	162.9	-167	-58.7	0	0	0	0	113.7
1054	P	48.9	Very low	34.2	Very low	121 Å²	121	135.4 Å²	135.4	79%	0.786	83%	0.833	S	S	*	*			trans	-79.9	161	-179	34.7	-38.1	0	0	0	113.4
1055	P	40.9	Very low	34.6	Very low	120 Å²	120	135.8 Å²	135.8	78%	0.779	83%	0.829	S	S	*	*				-155.8	138.7	103.3	37.5	-18.2	0	0	0	118.9
1056	Q	32.2	Very low	35	Very low	184 Å²	184	137.2 Å²	137.2	86%	0.86	83%	0.831	S	S	*	*			trans	47.8	-156.2	144.6	-53.7	-156	-50.7	0	0	120.5
1057	P	52.1	Low	34.3	Very low	112 Å²	112	137.8 Å²	137.8	73%	0.727	83%	0.831	S	S	*	*				-138.2	131.1	-111.4	41.8	-20.2	0	0	0	118.8
1058	S	30.2	Very low	34.7	Very low	121 Å²	121	139.4 Å²	139.4	85%	0.846	84%	0.84	S	S	*	*			trans	-175.8	162.2	163.2	50.7	0	0	0	0	108.9
1059	S	33.1	Very low	35.1	Very low	89 Å²	89	136 Å²	136	62%	0.622	84%	0.839	S	S	*	*			cis	-165.6	167.7	-27.6	57.2	0	0	0	0	106.5
1060	D	38.4	Very low	35.7	Very low	151 Å²	151	135 Å²	135	81%	0.807	84%	0.843	S	S	*	*			trans	52.6	91.6	159.6	-43.8	-43.9	0	0	0	119.8
1061	A	37.3	Very low	36.4	Very low	183 Å²	183	136.5 Å²	136.5	100%	1.512	85%	0.854	S	S	*	*			trans	-176	0	131.3	0	0	0	0	0	111.4

Retrieved 1,061 of 1,061 residues in 1203.2 ms (Link to these results)

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