A0A077YZY7_TRITR Loading...

2-oxoglutarate dehydrogenase, mitochondrial

The 2-oxoglutarate dehydrogenase complex catalyzes the overall conversion of 2-oxoglutarate to succinyl-CoA and CO(2). It contains multiple copies of three enzymatic components: 2-oxoglutarate dehydrogenase (E1), dihydrolipoamide succinyltransferase (E2) and lipoamide dehydrogenase (E3).

AlphaFold DB , UniProt , Accession A0A077YZY7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,012 aa.

						>A0A077YZY7_TRITR|A0A077YZY7
MLRYAILSGCKRCLLVYPTPSQSRLSSSLDSTQKNVPTRSVPMSKLAAEPFLNGTSSVYIEEMYESWLQDPNSVHKSWDIYFRGVDSGLEPGDAYTPPPALTPLKQRTSIPSVGHTELSGIQDHLNVQQLIRSYQAKGHSIAELDPLGINSADLDDSTPRELELTTYNFSENDLQREFLLPSSTYIGGERNVLTLKEILQRLKTIYCNHIGVEYTHIANHDQYEWLRMHFETPKIMDLTAEQQKVLFKRLIRSTKFEEFLAKKWPSEKRFGLEGCEVLIPAMKQIIDRASLLGVDTFVIGMPHRGRLNILANVCRQPLLSIFSQFNTLEPADEGSGDVKYHLGVCMERFNQQSQKIIKISVVANPSHLEAVDPVVQGKTRAEQFYRGDDAGEKVMSILLHGDAAFSGQGIVYETFDFSSLPAYTCHGSIHIVVNNQIGFTTDPRFSRSFPYCTDVAKVVNAPIFHVNADDPEAVMHVCSVAAEWRQKFKKDAVIDLVCYRRHGHNELDEPSFTQPLMYAKIHQTKPVLEKYTDRLVQLGIASEEYVKTETEHYRQIMEEAYENAQKELYIRNRDWLDSPWDDFFKKRDPLRILNSGVSEETLLHIGKCFSEPPPDFSVHPGLLRVLRTRAEMIQNRTSDWALGEAFAFGSLLREGVHVRLSGQDVERGTFSHRHHVLHDQKIDKRTFVPLNNLWPEQAKYTVCNSSLSEFGVLGFEVGFSSTNPNALVIWEAQFGDFANNAMCIFDQFISSGQAKWIRQSGIVCLLPHGYEGMGPEHSSARLERFLQLCNDDEEHMIPPGPTFEAQQLYDTNMIVANCTTPANFFHLLRRQVLLSFRKPLIVMTPKSLLRHPEARSPFSDYINDTSYRRVISEDGPASENPDKVERLVFCSGKLYYELKKERASRNLESKVAIARIEQLSPFPYDLVYAEAAKYANAQLVWSQEEHKNMGAWMYVRPRILTAFKMSKGIKYAGRPPSAAPATGNKYQHMREQSKVISDTLEIESPEDFKPSP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.3	Very low	24.4	Very low	245 Å²	245	160.1 Å²	160.1	100%	1.207	85%	0.854	S	S	*	*				0	107.1	0	-86.8	-174.2	-112.1	0	0	108
2	L	20.7	Very low	24.3	Very low	173 Å²	173	166.9 Å²	166.9	91%	0.906	86%	0.859	S	S	*	*			trans	-85.8	145.7	-174.8	-91.1	86.3	0	0	0	112.5
3	R	25.4	Very low	24.4	Very low	216 Å²	216	164.4 Å²	164.4	82%	0.815	86%	0.863	S	S	*	*			trans	149.7	127.3	148.1	-90.7	172.7	-177.1	-154.7	2.5	107.8
4	Y	26.5	Very low	24.6	Very low	203 Å²	203	164.4 Å²	164.4	80%	0.796	86%	0.863	S	S	*	*			cis	-159.5	156.1	26.5	-111	-81.1	0	0	0	109.6
5	A	23.6	Very low	24.6	Very low	80 Å²	80	163.6 Å²	163.6	66%	0.661	86%	0.858	S	S	*	*			trans	-128.6	160.3	167.3	0	0	0	0	0	110.8
6	I	24.1	Very low	24.9	Very low	152 Å²	152	161.4 Å²	161.4	78%	0.779	85%	0.853	S	S	*	*			trans	91.1	115.4	158.2	-49.2	171.8	0	0	0	117.1
7	L	25.7	Very low	25.1	Very low	167 Å²	167	163.8 Å²	163.8	87%	0.874	85%	0.849	S	S	*	*				-169.3	142.1	110.3	-95.1	167.9	0	0	0	112.7
8	S	22.6	Very low	25.5	Very low	113 Å²	113	161.2 Å²	161.2	79%	0.79	85%	0.845	S	S	*	*			trans	-95.2	156.1	-172.8	47.6	0	0	0	0	113.2
9	G	22.7	Very low	25.7	Very low	73 Å²	73	159.3 Å²	159.3	75%	0.753	84%	0.84	S	S	*	*			trans	140	97.4	149.4	0	0	0	0	0	117.3
10	C	23.6	Very low	26	Very low	141 Å²	141	158.1 Å²	158.1	95%	0.953	84%	0.842	S	S	*	*				-167.1	144.1	129.8	-122.9	0	0	0	0	113.2
11	K	23.8	Very low	26.2	Very low	198 Å²	198	155.6 Å²	155.6	86%	0.861	84%	0.837	S	S	*	*			trans	-84.4	161.2	-176.1	-73	171.3	169.8	174.8	0	112
12	R	23.9	Very low	26.3	Very low	242 Å²	242	153.2 Å²	153.2	91%	0.913	82%	0.823	S	S	*	*			trans	81.7	105.9	164	-66.3	176.3	168.3	173.5	-4.3	116.3
13	C	25.4	Very low	26.6	Very low	134 Å²	134	150.4 Å²	150.4	91%	0.905	82%	0.819	S	S	*	*				-170.1	139.3	103.2	-102.3	0	0	0	0	110.6
14	L	27.2	Very low	26.6	Very low	165 Å²	165	151.7 Å²	151.7	86%	0.864	82%	0.823	S	S	*	*			trans	-71.3	142	-174	-82.3	126.7	0	0	0	112.4	V16	L14-V16 PolarHBondContact O-N 2.73Å
15	L	25.3	Very low	26.8	Very low	152 Å²	152	149.9 Å²	149.9	80%	0.796	83%	0.827	S	S	*	*			trans	-58.4	123.7	160.6	-80.5	149.2	0	0	0	110
16	V	28.2	Very low	26.9	Very low	128 Å²	128	150.7 Å²	150.7	78%	0.776	83%	0.827	S	S	*	*			trans	-111.1	107.9	168	176.4	0	0	0	0	107.5	L14	L14-V16 PolarHBondContact O-N 2.73Å
17	Y	28	Very low	27.3	Very low	202 Å²	202	149 Å²	149	79%	0.792	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-88.9	128.1	157.2	-79.9	-85.8	0	0	0	107.7
18	P	32.4	Very low	27.5	Very low	118 Å²	118	146.1 Å²	146.1	77%	0.766	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-85.2	119.7	173.8	30.9	-27.7	0	0	0	110.4
19	T	29.8	Very low	27.9	Very low	124 Å²	124	149.3 Å²	149.3	76%	0.761	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-79.3	145.7	156.3	39.3	0	0	0	0	109	S21	T19-S21 PolarHBondContact O-N 3.14Å
20	P	32.9	Very low	28.2	Very low	135 Å²	135	153.6 Å²	153.6	88%	0.877	84%	0.836	S	S	*	*			trans	-83.5	115.9	176.3	30.8	-28.6	0	0	0	110.3
21	S	30.2	Very low	28.6	Very low	106 Å²	106	151.8 Å²	151.8	74%	0.741	83%	0.825	S	S	*	*			trans	-103.9	122.9	171.1	56.5	0	0	0	0	111.7	T19	T19-S21 PolarHBondContact O-N 3.14Å
22	Q	29.8	Very low	29	Very low	195 Å²	195	148.9 Å²	148.9	91%	0.911	82%	0.824	S	S	*	*			trans	34.6	109.9	136.4	-63.2	-176.4	-7.9	0	0	119
23	S	26.7	Very low	29.1	Very low	115 Å²	115	145.9 Å²	145.9	80%	0.804	82%	0.82	S	S	*	*			trans	-85.3	133.9	154.6	53.2	0	0	0	0	110.8
24	R	27.1	Very low	29.3	Very low	242 Å²	242	148.8 Å²	148.8	91%	0.913	82%	0.817	S	S	*	*			trans	-152.7	128.5	154.5	-81	-162	-176.9	-171.9	0.6	111.2
25	L	30.4	Very low	29.4	Very low	166 Å²	166	148.4 Å²	148.4	87%	0.869	82%	0.816	S	S	*	*			trans	177.6	91.3	146.6	-93	161.1	0	0	0	104.8
26	S	25.8	Very low	29.7	Very low	97 Å²	97	146.9 Å²	146.9	68%	0.678	81%	0.813	S	S	*	*				82.6	112.1	74.2	74.8	0	0	0	0	115
27	S	32.8	Very low	29.9	Very low	116 Å²	116	146.4 Å²	146.4	81%	0.811	81%	0.813	S	S	*	*			trans	145.8	143.1	145.6	56.9	0	0	0	0	109.3
28	S	28.9	Very low	30.2	Very low	107 Å²	107	143.6 Å²	143.6	75%	0.748	82%	0.817	S	S	*	*			cis	-173.7	124.4	-18	44.1	0	0	0	0	104.3
29	L	31.2	Very low	30.6	Very low	179 Å²	179	147 Å²	147	94%	0.937	81%	0.814	S	S	*	*			trans	-155.2	109.9	157.6	-98.2	167.1	0	0	0	108.5
30	D	28.6	Very low	31.3	Very low	163 Å²	163	146.5 Å²	146.5	87%	0.872	82%	0.816	S	S	*	*			trans	-69.7	136.5	171.3	-82.2	-43.5	0	0	0	111.2
31	S	31.4	Very low	32.2	Very low	104 Å²	104	142.4 Å²	142.4	73%	0.727	79%	0.788	S	S	*	*				-164.3	117.4	128.9	49.5	0	0	0	0	112.3
32	T	32.5	Very low	33.2	Very low	136 Å²	136	140.9 Å²	140.9	83%	0.834	78%	0.776	S	S	*	*			trans	61.1	103.7	147.2	53.2	0	0	0	0	120
33	Q	25.9	Very low	34.5	Very low	179 Å²	179	140 Å²	140	84%	0.836	77%	0.774	S	S	*	*			trans	-51.3	129.8	156.9	-72.8	172.9	-25.8	0	0	112.8
34	K	31.1	Very low	35.9	Very low	195 Å²	195	139 Å²	139	85%	0.848	77%	0.766	S	S	*	*			trans	-125.2	115.5	138.7	-84.1	-175	177.5	176.9	0	108	V36	K34-V36 PolarHBondContact O-N 2.93Å; K34-V36 VanDerWaalsContact O-N 3.14Å
35	N	28.7	Very low	37.4	Very low	158 Å²	158	131 Å²	131	85%	0.845	74%	0.739	S	S	*	*			trans	-59.3	109.7	168.1	-79.6	-29.6	0	0	0	109
36	V	31.4	Very low	38.7	Very low	120 Å²	120	127.2 Å²	127.2	73%	0.727	72%	0.719	S	S	*	*			trans	-107.5	127.3	164.2	-178.6	0	0	0	0	106.8	K34 T38	K34-V36 PolarHBondContact O-N 2.93Å; K34-V36 VanDerWaalsContact O-N 3.14Å; V36-T38 PolarHBondContact O-N 2.94Å; V36-T38 VanDerWaalsContact O-N 3.15Å
37	P	32	Very low	40.6	Very low	118 Å²	118	126.2 Å²	126.2	77%	0.766	72%	0.716	S	S	*	*			trans	-65.6	116.7	176.1	26.8	-30.7	0	0	0	108.6	R39	P37-R39 PolarHBondContact O-N 3.03Å
38	T	34.8	Very low	42.3	Very low	143 Å²	143	122.9 Å²	122.9	88%	0.877	70%	0.695	S	S	*	*			trans	-66.3	97.7	170	43.8	0	0	0	0	108.6	V36 S40	V36-T38 PolarHBondContact O-N 2.94Å; V36-T38 VanDerWaalsContact O-N 3.15Å; T38-S40 PolarHBondContact O-N 3.27Å
39	R	40.8	Very low	44.5	Very low	189 Å²	189	117.9 Å²	117.9	71%	0.713	66%	0.661	S	S	*	*			trans	-65.8	115.1	165.5	-128.4	178.2	179.9	177.8	0.5	106.8	P37 V41 E90	P37-R39 PolarHBondContact O-N 3.03Å; R39-V41 PolarHBondContact O-N 3.27Å; R39-E90 IonicContact CZ-OE1 3.24Å; R39-E90 IonicContact NH1-OE1 3.75Å; R39-E90 PolarHBondContact NH1-OE1 3.09Å
40	S	44.3	Very low	46.4	Very low	114 Å²	114	113.7 Å²	113.7	80%	0.797	64%	0.644	S	S	*	*			trans	-65.6	103.4	169.4	56.4	0	0	0	0	108.2	T38	T38-S40 PolarHBondContact O-N 3.27Å
41	V	51.5	Low	48.8	Very low	48 Å²	48	107.7 Å²	107.7	29%	0.291	61%	0.61	S	S	.	*			trans	-73.2	123.7	172.7	-179.6	0	0	0	0	107.5	R39 M43 K45 L46	R39-V41 PolarHBondContact O-N 3.27Å; V41-M43 PolarHBondContact O-N 3.16Å; V41-K45 HydrophobicContact CG1-CB 3.72Å; V41-K45 HydrophobicContact CG1-CD 4.34Å; V41-L46 HydrophobicContact CG1-CD1 4.41Å
42	P	51.5	Low	51	Low	75 Å²	75	105.9 Å²	105.9	49%	0.487	59%	0.592	S	S	.	*			trans	-60.7	136.5	176.6	6.3	-4.5	0	0	0	109.8	S44 K45	P42-S44 PolarHBondContact O-N 2.74Å; P42-K45 PolarHBondContact O-N 3.07Å
43	M	56.1	Low	53.2	Low	176 Å²	176	102.5 Å²	102.5	87%	0.867	57%	0.569	S	S	*	*	H	α-helix	trans	-50.9	-23.6	-179.7	-84.8	-151.7	-70.3	0	0	113.8	V41 K45 L46 A47	V41-M43 PolarHBondContact O-N 3.16Å; M43-K45 VanDerWaalsContact C-N 3.29Å; M43-K45 PolarHBondContact O-N 3Å; M43-L46 PolarHBondContact O-N 3.33Å; M43-A47 PolarHBondContact O-N 3.37Å
44	S	57.6	Low	55.6	Low	93 Å²	93	97.3 Å²	97.3	65%	0.65	56%	0.563	S	S	*	*	H	α-helix	trans	-64.3	-27	175.7	58.7	0	0	0	0	114.3	P42	P42-S44 PolarHBondContact O-N 2.74Å
45	K	57	Low	57.8	Low	76 Å²	76	94.4 Å²	94.4	33%	0.33	56%	0.562	S	S	.	*	H	α-helix	trans	-80.3	-36.4	177.2	-78.9	-161.2	167.6	-149.7	0	112.7	V41 P42 M43 A47 A48 G92 D93	V41-K45 HydrophobicContact CG1-CB 3.72Å; V41-K45 HydrophobicContact CG1-CD 4.34Å; P42-K45 PolarHBondContact O-N 3.07Å; M43-K45 VanDerWaalsContact C-N 3.29Å; M43-K45 PolarHBondContact O-N 3Å; K45-A47 PolarHBondContact O-N 3.42Å; K45-A48 WeakPolarHBondContact O-CB 3.26Å; K45-A48 PolarHBondContact O-N 2.98Å; K45-G92 WeakPolarHBondContact O-CA 3.46Å; K45-D93 IonicContact NZ-OD1 3.03Å; K45-D93 IonicContact NZ-OD2 2.69Å; K45-D93 PolarHBondContact NZ-OD2 2.98Å
46	L	59.3	Low	60.3	Low	86 Å²	86	88.4 Å²	88.4	45%	0.45	53%	0.532	S	S	.	.	H	α-helix	trans	-65.1	-29.6	174.2	-120.7	90	0	0	0	112.3	V41 M43 A48 E49 P91	V41-L46 HydrophobicContact CG1-CD1 4.41Å; M43-L46 PolarHBondContact O-N 3.33Å; L46-A48 PolarHBondContact O-N 3.44Å; L46-E49 PolarHBondContact O-N 3.1Å; L46-P91 HydrophobicContact CD1-CB 4.46Å
47	A	64.7	Low	62.8	Low	76 Å²	76	85.2 Å²	85.2	63%	0.628	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.4	177.4	0	0	0	0	0	113.6	M43 K45 E49	M43-A47 PolarHBondContact O-N 3.37Å; K45-A47 PolarHBondContact O-N 3.42Å; A47-E49 PolarHBondContact O-N 3.3Å
48	A	68.4	Low	65.3	Low	45 Å²	45	83.9 Å²	83.9	37%	0.372	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.5	174.6	0	0	0	0	0	112.8	K45 L46 P50 Y95	K45-A48 WeakPolarHBondContact O-CB 3.26Å; K45-A48 PolarHBondContact O-N 2.98Å; L46-A48 PolarHBondContact O-N 3.44Å; A48-P50 VanDerWaalsContact C-CD 3.42Å; A48-P50 VanDerWaalsContact O-CD 3.25Å; A48-P50 WeakPolarHBondContact O-CD 3.4Å; A48-Y95 WeakPolarHBondContact O-CD1 3.4Å; A48-Y95 WeakPolarHBondContact O-CE1 3.38Å
49	E	76.1	Confident	67.7	Low	3 Å²	3	83 Å²	83	1%	0.014	49%	0.486	C	S	.	.			trans	-119.7	67.9	-178.8	-74.2	165.6	176.3	0	0	110	L46 A47 F51 L52 Y81 G92 Y95	L46-E49 PolarHBondContact O-N 3.1Å; A47-E49 PolarHBondContact O-N 3.3Å; E49-F51 HydrophobicContact CB-CE1 4.05Å; E49-F51 HydrophobicContact CB-CZ 4.11Å; E49-F51 HydrophobicContact CG-CE1 4.13Å; E49-F51 HydrophobicContact CG-CZ 4.02Å; E49-F51 PolarHBondContact O-N 2.98Å; E49-L52 HydrophobicContact CB-CB 4.43Å; E49-L52 HydrophobicContact CB-CD1 3.59Å; E49-L52 HydrophobicContact CB-CG 3.93Å; E49-L52 HydrophobicContact CG-CD1 4.2Å; E49-L52 WeakPolarHBondContact O-CB 3.42Å; E49-L52 PolarHBondContact O-N 2.81Å; E49-L52 WeakPolarHBondContact OE2-CD1 3.23Å; E49-Y81 HydrophobicContact CG-CE2 4.35Å; E49-Y81 WeakPolarHBondContact OE1-CE2 3.45Å; E49-G92 VanDerWaalsContact OE1-CA 3.31Å; E49-G92 WeakPolarHBondContact OE1-CA 3.27Å; E49-G92 PolarHBondContact OE1-N 3.37Å; E49-G92 PolarHBondContact OE2-N 3.15Å; E49-Y95 HydrophobicContact CG-CG 4.23Å; E49-Y95 PolarHBondContact OE1-N 3.1Å
50	P	71.3	Confident	70	Confident	90 Å²	90	75.1 Å²	75.1	58%	0.584	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-16.2	-171.4	25.6	-35.3	0	0	0	113.9	A48 N53	A48-P50 VanDerWaalsContact C-CD 3.42Å; A48-P50 VanDerWaalsContact O-CD 3.25Å; A48-P50 WeakPolarHBondContact O-CD 3.4Å; P50-N53 PolarHBondContact O-ND2 3.02Å
51	F	78.1	Confident	72.1	Confident	37 Å²	37	75.7 Å²	75.7	16%	0.162	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-16	175	59.1	-89.2	0	0	0	113.3	E49 N53 S56 I60 W78 Y81 Y95	E49-F51 HydrophobicContact CB-CE1 4.05Å; E49-F51 HydrophobicContact CB-CZ 4.11Å; E49-F51 HydrophobicContact CG-CE1 4.13Å; E49-F51 HydrophobicContact CG-CZ 4.02Å; E49-F51 PolarHBondContact O-N 2.98Å; F51-N53 PolarHBondContact O-N 3.3Å; F51-S56 VanDerWaalsContact O-CB 3.26Å; F51-S56 WeakPolarHBondContact O-CB 3.43Å; F51-I60 HydrophobicContact CD2-CD1 3.81Å; F51-I60 HydrophobicContact CD2-CG1 4.39Å; F51-I60 WeakPolarHBondContact O-CD1 3.29Å; F51-W78 AromaticContact CD2-CH2 3.6Å; F51-W78 HydrophobicContact CD2-CH2 3.6Å; F51-W78 HydrophobicContact CD2-CZ3 4.11Å; F51-W78 AromaticContact CE2-CH2 3.74Å; F51-W78 HydrophobicContact CE2-CH2 3.74Å; F51-W78 AromaticContact CE2-CZ3 3.78Å; F51-W78 HydrophobicContact CE2-CZ3 3.78Å; F51-W78 HydrophobicContact CG-CH2 4.25Å; F51-W78 HydrophobicContact CZ-CZ3 4.47Å; F51-Y81 HydrophobicContact CE2-CE1 4.04Å; F51-Y81 HydrophobicContact CE2-CE2 4.14Å; F51-Y81 AromaticContact CE2-CZ 3.78Å; F51-Y81 HydrophobicContact CZ-CD2 4.04Å; F51-Y81 HydrophobicContact CZ-CE1 4.3Å; F51-Y81 AromaticContact CZ-CE2 3.65Å; F51-Y81 HydrophobicContact CZ-CE2 3.65Å; F51-Y81 AromaticContact CZ-CZ 3.79Å; F51-Y95 HydrophobicContact CD1-CD2 4.49Å; F51-Y95 HydrophobicContact CD1-CE2 4.44Å; F51-Y95 HydrophobicContact CE1-CD1 4.47Å; F51-Y95 AromaticContact CE1-CD2 3.44Å; F51-Y95 HydrophobicContact CE1-CD2 3.44Å; F51-Y95 VanDerWaalsContact CE1-CD2 3.44Å; F51-Y95 AromaticContact CE1-CE2 3.77Å; F51-Y95 HydrophobicContact CE1-CE2 3.77Å; F51-Y95 AromaticContact CE1-CG 3.82Å; F51-Y95 HydrophobicContact CE1-CG 3.82Å; F51-Y95 AromaticContact CZ-CD2 3.98Å; F51-Y95 HydrophobicContact CZ-CD2 3.98Å; F51-Y95 HydrophobicContact CZ-CG 4.33Å
52	L	77.2	Confident	73.9	Confident	66 Å²	66	78.3 Å²	78.3	35%	0.346	46%	0.457	S	S	.	.			trans	-77.9	59	175.2	-66.8	176.6	0	0	0	111.9	E49 I60	E49-L52 HydrophobicContact CB-CB 4.43Å; E49-L52 HydrophobicContact CB-CD1 3.59Å; E49-L52 HydrophobicContact CB-CG 3.93Å; E49-L52 HydrophobicContact CG-CD1 4.2Å; E49-L52 WeakPolarHBondContact O-CB 3.42Å; E49-L52 PolarHBondContact O-N 2.81Å; E49-L52 WeakPolarHBondContact OE2-CD1 3.23Å; L52-I60 HydrophobicContact CD2-CD1 3.95Å
53	N	79	Confident	75.8	Confident	66 Å²	66	76.5 Å²	76.5	35%	0.353	44%	0.443	S	S	.	.	S	Bend	trans	-117.9	157.2	175.5	61.7	55.5	0	0	0	110.9	P50 F51 T55 S56	P50-N53 PolarHBondContact O-ND2 3.02Å; F51-N53 PolarHBondContact O-N 3.3Å; N53-T55 PolarHBondContact O-N 3.16Å; N53-T55 VanDerWaalsContact O-N 3.1Å; N53-T55 PolarHBondContact OD1-N 2.79Å; N53-T55 PolarHBondContact OD1-OG1 3.28Å; N53-S56 PolarHBondContact O-N 3.18Å; N53-S56 PolarHBondContact OD1-N 2.8Å; N53-S56 VanDerWaalsContact OD1-N 3.15Å; N53-S56 PolarHBondContact OD1-OG 3Å
54	G	75.7	Confident	77.5	Confident	69 Å²	69	71.8 Å²	71.8	71%	0.711	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-58.1	-29.3	-173.9	0	0	0	0	0	114.3	S56 S57	G54-S56 VanDerWaalsContact C-N 3.31Å; G54-S56 PolarHBondContact O-N 3.48Å; G54-S57 PolarHBondContact O-OG 3.41Å
55	T	77.8	Confident	79.2	Confident	135 Å²	135	73.4 Å²	73.4	83%	0.828	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-72.8	-17.8	177.9	39.6	0	0	0	0	114.4	N53	N53-T55 PolarHBondContact O-N 3.16Å; N53-T55 VanDerWaalsContact O-N 3.1Å; N53-T55 PolarHBondContact OD1-N 2.79Å; N53-T55 PolarHBondContact OD1-OG1 3.28Å
56	S	82.5	Confident	80.8	Confident	32 Å²	32	71.8 Å²	71.8	22%	0.224	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-106.2	0.7	-178.7	-48.4	0	0	0	0	113.5	F51 N53 G54 V58 Y59 I60	F51-S56 VanDerWaalsContact O-CB 3.26Å; F51-S56 WeakPolarHBondContact O-CB 3.43Å; N53-S56 PolarHBondContact O-N 3.18Å; N53-S56 PolarHBondContact OD1-N 2.8Å; N53-S56 VanDerWaalsContact OD1-N 3.15Å; N53-S56 PolarHBondContact OD1-OG 3Å; G54-S56 VanDerWaalsContact C-N 3.31Å; G54-S56 PolarHBondContact O-N 3.48Å; S56-V58 PolarHBondContact O-N 3.04Å; S56-Y59 PolarHBondContact O-N 3.21Å; S56-I60 WeakPolarHBondContact O-CG1 3.34Å; S56-I60 PolarHBondContact O-N 2.86Å; S56-I60 VanDerWaalsContact O-N 3.09Å
57	S	82.3	Confident	82.5	Confident	53 Å²	53	68.5 Å²	68.5	37%	0.371	39%	0.393	S	S	.	.	H	α-helix	trans	-53.2	-51.6	-174.1	49.8	0	0	0	0	113.3	G54 Y59 I60 E61	G54-S57 PolarHBondContact O-OG 3.41Å; S57-Y59 VanDerWaalsContact C-N 3.33Å; S57-Y59 PolarHBondContact O-N 3.5Å; S57-I60 PolarHBondContact O-N 3.3Å; S57-E61 PolarHBondContact O-N 2.84Å
58	V	84.5	Confident	83.7	Confident	90 Å²	90	69.8 Å²	69.8	55%	0.545	39%	0.389	S	S	.	.	H	α-helix	trans	-59.4	-42.7	179.6	-178.9	0	0	0	0	111.9	S56 I60 E61 E62	S56-V58 PolarHBondContact O-N 3.04Å; V58-I60 PolarHBondContact O-N 3.47Å; V58-E61 PolarHBondContact O-N 2.96Å; V58-E62 WeakPolarHBondContact O-CG 3.12Å; V58-E62 PolarHBondContact O-N 3.47Å
59	Y	86.7	Confident	84.8	Confident	123 Å²	123	75.8 Å²	75.8	48%	0.482	41%	0.409	S	S	.	.	H	α-helix	trans	-66.3	-38.2	-179.7	-179.3	-100	0	0	0	112.2	S56 S57 E62 M63 W78	S56-Y59 PolarHBondContact O-N 3.21Å; S57-Y59 VanDerWaalsContact C-N 3.33Å; S57-Y59 PolarHBondContact O-N 3.5Å; Y59-E62 PolarHBondContact O-N 3.44Å; Y59-M63 HydrophobicContact CD1-CG 4.2Å; Y59-M63 HydrophobicContact CE1-CG 3.78Å; Y59-M63 HydrophobicContact CE2-CE 4.23Å; Y59-M63 HydrophobicContact CE2-CG 4.37Å; Y59-M63 HydrophobicContact CE2-SD 4.49Å; Y59-M63 VanDerWaalsContact O-CG 3.27Å; Y59-M63 WeakPolarHBondContact O-CG 3.46Å; Y59-M63 PolarHBondContact O-N 2.99Å; Y59-W78 HydrophobicContact CE1-CZ2 4.02Å
60	I	87.7	Confident	85.5	Confident	25 Å²	25	79.1 Å²	79.1	13%	0.128	43%	0.427	C	S	.	.	H	α-helix	trans	-69.4	-39.8	178.3	-63.5	167.5	0	0	0	110.6	F51 L52 S56 S57 V58 M63 Y64 W78 F82	F51-I60 HydrophobicContact CD2-CD1 3.81Å; F51-I60 HydrophobicContact CD2-CG1 4.39Å; F51-I60 WeakPolarHBondContact O-CD1 3.29Å; L52-I60 HydrophobicContact CD2-CD1 3.95Å; S56-I60 WeakPolarHBondContact O-CG1 3.34Å; S56-I60 PolarHBondContact O-N 2.86Å; S56-I60 VanDerWaalsContact O-N 3.09Å; S57-I60 PolarHBondContact O-N 3.3Å; V58-I60 PolarHBondContact O-N 3.47Å; I60-M63 PolarHBondContact O-N 2.87Å; I60-Y64 WeakPolarHBondContact O-CB 3.47Å; I60-Y64 PolarHBondContact O-N 2.76Å; I60-W78 HydrophobicContact CG1-CH2 3.98Å; I60-W78 HydrophobicContact CG1-CZ3 4.45Å; I60-W78 HydrophobicContact CG2-CZ3 4.47Å; I60-F82 HydrophobicContact CG2-CE1 4.46Å
61	E	88.4	Confident	86.4	Confident	125 Å²	125	76.7 Å²	76.7	58%	0.584	41%	0.411	S	S	*	.	H	α-helix	trans	-59.9	-48.2	174.1	-74.5	176	-176.6	0	0	110.9	S57 V58 M63 Y64 E65	S57-E61 PolarHBondContact O-N 2.84Å; V58-E61 PolarHBondContact O-N 2.96Å; E61-M63 PolarHBondContact O-N 3.27Å; E61-Y64 PolarHBondContact O-N 3.02Å; E61-Y64 VanDerWaalsContact O-N 3.16Å; E61-E65 WeakPolarHBondContact O-CG 3.36Å; E61-E65 PolarHBondContact O-N 3.04Å
62	E	90.9	Very high	87	Confident	104 Å²	104	81.6 Å²	81.6	49%	0.486	44%	0.439	S	S	.	.	H	α-helix	trans	-61.2	-40.6	176.9	-73.8	178.4	177.3	0	0	112.9	V58 Y59 S66	V58-E62 WeakPolarHBondContact O-CG 3.12Å; V58-E62 PolarHBondContact O-N 3.47Å; Y59-E62 PolarHBondContact O-N 3.44Å; E62-S66 WeakPolarHBondContact O-CB 3.48Å; E62-S66 PolarHBondContact O-N 3.45Å; E62-S66 PolarHBondContact O-OG 2.9Å
63	M	91	Very high	87.6	Confident	36 Å²	36	81.6 Å²	81.6	18%	0.177	45%	0.445	C	S	.	.	H	α-helix	trans	-66.6	-38.1	175.4	-70.3	-61.6	98.4	0	0	111.8	Y59 I60 E61 W67 V74 W78 F82	Y59-M63 HydrophobicContact CD1-CG 4.2Å; Y59-M63 HydrophobicContact CE1-CG 3.78Å; Y59-M63 HydrophobicContact CE2-CE 4.23Å; Y59-M63 HydrophobicContact CE2-CG 4.37Å; Y59-M63 HydrophobicContact CE2-SD 4.49Å; Y59-M63 VanDerWaalsContact O-CG 3.27Å; Y59-M63 WeakPolarHBondContact O-CG 3.46Å; Y59-M63 PolarHBondContact O-N 2.99Å; I60-M63 PolarHBondContact O-N 2.87Å; E61-M63 PolarHBondContact O-N 3.27Å; M63-W67 VanDerWaalsContact O-CB 3.29Å; M63-W67 WeakPolarHBondContact O-CB 3.26Å; M63-W67 PolarHBondContact O-N 3.44Å; M63-V74 WeakPolarHBondContact O-CG1 3Å; M63-V74 HydrophobicContact SD-CG1 4.07Å; M63-W78 HydrophobicContact CB-CD2 4.49Å; M63-F82 HydrophobicContact CB-CE2 4.03Å; M63-F82 HydrophobicContact CB-CZ 3.99Å
64	Y	90.9	Very high	88.1	Confident	78 Å²	78	79.1 Å²	79.1	31%	0.306	43%	0.432	S	S	.	.	H	α-helix	trans	-69.7	-42.8	177.5	-173.4	-117.4	0	0	0	111.7	I60 E61 S66 W67 L68 F82 D86	I60-Y64 WeakPolarHBondContact O-CB 3.47Å; I60-Y64 PolarHBondContact O-N 2.76Å; E61-Y64 PolarHBondContact O-N 3.02Å; E61-Y64 VanDerWaalsContact O-N 3.16Å; Y64-S66 VanDerWaalsContact C-N 3.34Å; Y64-S66 PolarHBondContact O-N 3.36Å; Y64-W67 AromaticContact CD2-CE3 3.98Å; Y64-W67 HydrophobicContact CD2-CE3 3.98Å; Y64-W67 HydrophobicContact CD2-CZ3 4.46Å; Y64-W67 AromaticContact CE2-CE3 3.79Å; Y64-W67 HydrophobicContact CE2-CE3 3.79Å; Y64-W67 AromaticContact CE2-CZ3 3.82Å; Y64-W67 HydrophobicContact CE2-CZ3 3.82Å; Y64-W67 PolarHBondContact O-N 2.89Å; Y64-L68 HydrophobicContact CD1-CD1 4.01Å; Y64-L68 HydrophobicContact CD1-CG 4.49Å; Y64-L68 HydrophobicContact CE1-CD1 3.7Å; Y64-L68 HydrophobicContact CE1-CG 4.21Å; Y64-L68 WeakPolarHBondContact O-CG 3.46Å; Y64-L68 PolarHBondContact O-N 2.95Å; Y64-F82 HydrophobicContact CD2-CB 4.26Å; Y64-F82 AromaticContact CD2-CD1 3.45Å; Y64-F82 HydrophobicContact CD2-CD1 3.45Å; Y64-F82 VanDerWaalsContact CD2-CD1 3.45Å; Y64-F82 HydrophobicContact CD2-CD2 4.24Å; Y64-F82 AromaticContact CD2-CE1 3.71Å; Y64-F82 HydrophobicContact CD2-CE1 3.71Å; Y64-F82 HydrophobicContact CD2-CE2 4.44Å; Y64-F82 AromaticContact CD2-CG 3.75Å; Y64-F82 HydrophobicContact CD2-CG 3.75Å; Y64-F82 HydrophobicContact CD2-CZ 4.2Å; Y64-F82 HydrophobicContact CE2-CB 4.38Å; Y64-F82 HydrophobicContact CE2-CD1 4.12Å; Y64-F82 HydrophobicContact CE2-CG 4.33Å; Y64-F82 HydrophobicContact CG-CD1 4.38Å; Y64-F82 HydrophobicContact CG-CE1 4.2Å; Y64-F82 HydrophobicContact CG-CZ 4.49Å; Y64-D86 PolarHBondContact OH-OD1 3.16Å
65	E	93.3	Very high	88.7	Confident	127 Å²	127	82 Å²	82	59%	0.593	43%	0.427	S	S	*	.	H	α-helix	trans	-61	-43	174.7	-74	-171.8	169.9	0	0	112	E61 L68 Q69	E61-E65 WeakPolarHBondContact O-CG 3.36Å; E61-E65 PolarHBondContact O-N 3.04Å; E65-L68 PolarHBondContact O-N 3.08Å; E65-Q69 PolarHBondContact O-N 3.05Å
66	S	90.4	Very high	89.1	Confident	42 Å²	42	82.9 Å²	82.9	29%	0.294	42%	0.419	S	S	.	.	H	α-helix	trans	-63	-43.2	175.8	-58.8	0	0	0	0	111.2	E62 Y64 L68 Q69 D70 S73	E62-S66 WeakPolarHBondContact O-CB 3.48Å; E62-S66 PolarHBondContact O-N 3.45Å; E62-S66 PolarHBondContact O-OG 2.9Å; Y64-S66 VanDerWaalsContact C-N 3.34Å; Y64-S66 PolarHBondContact O-N 3.36Å; S66-L68 PolarHBondContact O-N 2.94Å; S66-Q69 PolarHBondContact O-N 2.67Å; S66-D70 PolarHBondContact O-N 3.41Å; S66-D70 VanDerWaalsContact O-N 3.08Å; S66-S73 VanDerWaalsContact C-OG 3.25Å; S66-S73 PolarHBondContact O-OG 3.39Å
67	W	94.8	Very high	89.3	Confident	16 Å²	16	83 Å²	83	6%	0.061	42%	0.42	C	S	.	.	H	α-helix	trans	-64.4	-37.1	177.7	179.2	80.6	0	0	0	113.3	M63 Y64 Q69 D70 V74 D79 F82 R83 D86	M63-W67 VanDerWaalsContact O-CB 3.29Å; M63-W67 WeakPolarHBondContact O-CB 3.26Å; M63-W67 PolarHBondContact O-N 3.44Å; Y64-W67 AromaticContact CD2-CE3 3.98Å; Y64-W67 HydrophobicContact CD2-CE3 3.98Å; Y64-W67 HydrophobicContact CD2-CZ3 4.46Å; Y64-W67 AromaticContact CE2-CE3 3.79Å; Y64-W67 HydrophobicContact CE2-CE3 3.79Å; Y64-W67 AromaticContact CE2-CZ3 3.82Å; Y64-W67 HydrophobicContact CE2-CZ3 3.82Å; Y64-W67 PolarHBondContact O-N 2.89Å; W67-Q69 VanDerWaalsContact C-N 3.28Å; W67-Q69 PolarHBondContact O-N 3.49Å; W67-D70 CarbonylContact O-C 3.58Å; W67-V74 HydrophobicContact CB-CG1 4.17Å; W67-V74 HydrophobicContact CB-CG2 3.96Å; W67-V74 HydrophobicContact CG-CG2 4.16Å; W67-D79 PolarHBondContact NE1-OD1 3.08Å; W67-F82 HydrophobicContact CB-CD2 3.68Å; W67-F82 HydrophobicContact CB-CE2 4.06Å; W67-F82 HydrophobicContact CD2-CB 3.56Å; W67-F82 AromaticContact CD2-CD2 3.92Å; W67-F82 HydrophobicContact CD2-CD2 3.92Å; W67-F82 HydrophobicContact CD2-CG 4.12Å; W67-F82 HydrophobicContact CE3-CB 3.66Å; W67-F82 HydrophobicContact CE3-CD2 4.36Å; W67-F82 HydrophobicContact CE3-CG 4.23Å; W67-F82 HydrophobicContact CG-CB 4.13Å; W67-F82 AromaticContact CG-CD2 3.6Å; W67-F82 HydrophobicContact CG-CD2 3.6Å; W67-F82 HydrophobicContact CG-CE2 4.44Å; W67-F82 HydrophobicContact CG-CG 4.28Å; W67-F82 HydrophobicContact CH2-CB 4.07Å; W67-F82 HydrophobicContact CZ2-CB 4Å; W67-F82 HydrophobicContact CZ3-CB 3.91Å; W67-R83 HydrophobicContact CH2-CG 4.48Å; W67-R83 HydrophobicContact CZ2-CG 3.65Å; W67-D86 HydrophobicContact CH2-CB 4.5Å; W67-D86 WeakPolarHBondContact CH2-OD2 3.49Å
68	L	91.6	Very high	89.6	Confident	104 Å²	104	82.2 Å²	82.2	55%	0.545	41%	0.409	S	S	.	.	H	α-helix	trans	-63.5	-31.1	174.6	-77.1	174.8	0	0	0	112.9	Y64 E65 S66	Y64-L68 HydrophobicContact CD1-CD1 4.01Å; Y64-L68 HydrophobicContact CD1-CG 4.49Å; Y64-L68 HydrophobicContact CE1-CD1 3.7Å; Y64-L68 HydrophobicContact CE1-CG 4.21Å; Y64-L68 WeakPolarHBondContact O-CG 3.46Å; Y64-L68 PolarHBondContact O-N 2.95Å; E65-L68 PolarHBondContact O-N 3.08Å; S66-L68 PolarHBondContact O-N 2.94Å
69	Q	91.8	Very high	89.8	Confident	170 Å²	170	79.2 Å²	79.2	79%	0.794	39%	0.39	S	S	*	.	H	α-helix	trans	-78.3	-47.9	176.8	-66.8	-178	16.6	0	0	112.2	E65 S66 W67	E65-Q69 PolarHBondContact O-N 3.05Å; S66-Q69 PolarHBondContact O-N 2.67Å; W67-Q69 VanDerWaalsContact C-N 3.28Å; W67-Q69 PolarHBondContact O-N 3.49Å
70	D	90.7	Very high	89.8	Confident	73 Å²	73	76.9 Å²	76.9	39%	0.39	39%	0.385	S	S	.	.			trans	-149.8	116.6	173.5	177.8	6.5	0	0	0	109.5	S66 W67 N72 S73	S66-D70 PolarHBondContact O-N 3.41Å; S66-D70 VanDerWaalsContact O-N 3.08Å; W67-D70 CarbonylContact O-C 3.58Å; D70-N72 PolarHBondContact O-N 3.32Å; D70-N72 WeakPolarHBondContact OD1-CB 3.45Å; D70-N72 PolarHBondContact OD1-N 3.48Å; D70-N72 PolarHBondContact OD1-ND2 2.92Å; D70-N72 VanDerWaalsContact OD1-ND2 3.08Å; D70-S73 VanDerWaalsContact O-CB 3.27Å; D70-S73 WeakPolarHBondContact O-CB 3.46Å; D70-S73 PolarHBondContact O-N 2.9Å; D70-S73 PolarHBondContact O-OG 3.21Å
71	P	89	Confident	89.8	Confident	40 Å²	40	76.6 Å²	76.6	26%	0.26	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-57.3	-21.5	177.2	-29.3	36.9	0	0	0	115.1	D79	P71-D79 WeakPolarHBondContact CB-OD1 3.25Å
72	N	90.4	Very high	89.9	Confident	139 Å²	139	70.9 Å²	70.9	74%	0.743	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-84.6	-6.9	177	-55.4	-67.7	0	0	0	113.9	D70 V74	D70-N72 PolarHBondContact O-N 3.32Å; D70-N72 WeakPolarHBondContact OD1-CB 3.45Å; D70-N72 PolarHBondContact OD1-N 3.48Å; D70-N72 PolarHBondContact OD1-ND2 2.92Å; D70-N72 VanDerWaalsContact OD1-ND2 3.08Å; N72-V74 VanDerWaalsContact C-N 3.27Å; N72-V74 PolarHBondContact O-N 3.4Å
73	S	90.3	Very high	89.8	Confident	67 Å²	67	72.2 Å²	72.2	47%	0.469	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-74.9	-17.7	179.2	69.7	0	0	0	0	113.3	S66 D70	S66-S73 VanDerWaalsContact C-OG 3.25Å; S66-S73 PolarHBondContact O-OG 3.39Å; D70-S73 VanDerWaalsContact O-CB 3.27Å; D70-S73 WeakPolarHBondContact O-CB 3.46Å; D70-S73 PolarHBondContact O-N 2.9Å; D70-S73 PolarHBondContact O-OG 3.21Å
74	V	90.4	Very high	89.6	Confident	13 Å²	13	70.8 Å²	70.8	8%	0.079	35%	0.351	C	S	.	.	S	Bend	trans	-109.5	159.1	177.9	-61.4	0	0	0	0	111.2	M63 W67 N72 W78 D79	M63-V74 WeakPolarHBondContact O-CG1 3Å; M63-V74 HydrophobicContact SD-CG1 4.07Å; W67-V74 HydrophobicContact CB-CG1 4.17Å; W67-V74 HydrophobicContact CB-CG2 3.96Å; W67-V74 HydrophobicContact CG-CG2 4.16Å; N72-V74 VanDerWaalsContact C-N 3.27Å; N72-V74 PolarHBondContact O-N 3.4Å; V74-W78 HydrophobicContact CB-CB 3.96Å; V74-W78 HydrophobicContact CG2-CB 3.82Å; V74-D79 HydrophobicContact CG2-CB 4.43Å
75	H	88.2	Confident	89.3	Confident	129 Å²	129	70.1 Å²	70.1	60%	0.597	36%	0.355	S	S	*	.			trans	-58.9	145.3	174.9	-173.5	-100.1	0	0	0	110.8	S77 W78 D79	H75-S77 PolarHBondContact ND1-N 3.47Å; H75-S77 PolarHBondContact ND1-OG 3.26Å; H75-S77 PolarHBondContact O-N 2.96Å; H75-W78 WeakPolarHBondContact O-CA 3.31Å; H75-W78 WeakPolarHBondContact O-CB 3.41Å; H75-W78 PolarHBondContact O-N 3.25Å; H75-D79 PolarHBondContact O-N 2.8Å
76	K	85.4	Confident	88.8	Confident	154 Å²	154	68.5 Å²	68.5	67%	0.67	35%	0.35	S	S	*	.	H	α-helix	trans	-54	-28.4	-174.6	-168.4	170.9	-175.8	174.9	0	114.3	W78 D79 I80	K76-W78 VanDerWaalsContact C-N 3.34Å; K76-D79 PolarHBondContact O-N 2.97Å; K76-I80 HydrophobicContact CG-CD1 4.11Å; K76-I80 WeakPolarHBondContact O-CD1 3.27Å; K76-I80 VanDerWaalsContact O-CG1 3.26Å; K76-I80 WeakPolarHBondContact O-CG1 3.49Å; K76-I80 PolarHBondContact O-N 3.22Å
77	S	85.8	Confident	88.5	Confident	34 Å²	34	70.7 Å²	70.7	24%	0.238	37%	0.366	C	S	.	.	H	α-helix	trans	-64.9	-36.5	173.9	57.7	0	0	0	0	112.9	H75 Y81	H75-S77 PolarHBondContact ND1-N 3.47Å; H75-S77 PolarHBondContact ND1-OG 3.26Å; H75-S77 PolarHBondContact O-N 2.96Å; S77-Y81 VanDerWaalsContact O-CB 3.25Å; S77-Y81 WeakPolarHBondContact O-CB 3.29Å; S77-Y81 PolarHBondContact O-N 2.98Å
78	W	89.4	Confident	87.8	Confident	37 Å²	37	73 Å²	73	14%	0.14	39%	0.394	C	S	.	.	H	α-helix	trans	-73.5	-39.3	175	-73	113.3	0	0	0	111.7	F51 Y59 I60 M63 V74 H75 K76 I80 Y81 F82	F51-W78 AromaticContact CD2-CH2 3.6Å; F51-W78 HydrophobicContact CD2-CH2 3.6Å; F51-W78 HydrophobicContact CD2-CZ3 4.11Å; F51-W78 AromaticContact CE2-CH2 3.74Å; F51-W78 HydrophobicContact CE2-CH2 3.74Å; F51-W78 AromaticContact CE2-CZ3 3.78Å; F51-W78 HydrophobicContact CE2-CZ3 3.78Å; F51-W78 HydrophobicContact CG-CH2 4.25Å; F51-W78 HydrophobicContact CZ-CZ3 4.47Å; Y59-W78 HydrophobicContact CE1-CZ2 4.02Å; I60-W78 HydrophobicContact CG1-CH2 3.98Å; I60-W78 HydrophobicContact CG1-CZ3 4.45Å; I60-W78 HydrophobicContact CG2-CZ3 4.47Å; M63-W78 HydrophobicContact CB-CD2 4.49Å; V74-W78 HydrophobicContact CB-CB 3.96Å; V74-W78 HydrophobicContact CG2-CB 3.82Å; H75-W78 WeakPolarHBondContact O-CA 3.31Å; H75-W78 WeakPolarHBondContact O-CB 3.41Å; H75-W78 PolarHBondContact O-N 3.25Å; K76-W78 VanDerWaalsContact C-N 3.34Å; W78-I80 PolarHBondContact O-N 2.77Å; W78-Y81 AromaticContact CE3-CD1 3.86Å; W78-Y81 HydrophobicContact CE3-CD1 3.86Å; W78-Y81 AromaticContact CZ3-CD1 3.9Å; W78-Y81 HydrophobicContact CZ3-CD1 3.9Å; W78-Y81 HydrophobicContact CZ3-CE1 4.13Å; W78-Y81 PolarHBondContact O-N 2.92Å; W78-F82 HydrophobicContact CB-CD2 4.19Å; W78-F82 HydrophobicContact CB-CE2 3.91Å; W78-F82 HydrophobicContact CD2-CE2 4.32Å; W78-F82 HydrophobicContact CD2-CZ 4.37Å; W78-F82 HydrophobicContact CE3-CE1 4.06Å; W78-F82 AromaticContact CE3-CE2 3.78Å; W78-F82 HydrophobicContact CE3-CE2 3.78Å; W78-F82 AromaticContact CE3-CZ 3.48Å; W78-F82 HydrophobicContact CE3-CZ 3.48Å; W78-F82 VanDerWaalsContact CE3-CZ 3.48Å; W78-F82 HydrophobicContact CG-CE2 4.43Å; W78-F82 HydrophobicContact CZ3-CE1 4.3Å; W78-F82 AromaticContact CZ3-CZ 3.96Å; W78-F82 HydrophobicContact CZ3-CZ 3.96Å; W78-F82 WeakPolarHBondContact O-CB 3.43Å; W78-F82 WeakPolarHBondContact O-CD2 3.35Å; W78-F82 WeakPolarHBondContact O-CG 3.1Å; W78-F82 PolarHBondContact O-N 3.47Å
79	D	89.6	Confident	87.2	Confident	28 Å²	28	72 Å²	72	15%	0.15	39%	0.388	C	S	.	.	H	α-helix	trans	-60	-46	173.6	174.6	55.5	0	0	0	111.9	W67 P71 V74 H75 K76 Y81 R83	W67-D79 PolarHBondContact NE1-OD1 3.08Å; P71-D79 WeakPolarHBondContact CB-OD1 3.25Å; V74-D79 HydrophobicContact CG2-CB 4.43Å; H75-D79 PolarHBondContact O-N 2.8Å; K76-D79 PolarHBondContact O-N 2.97Å; D79-Y81 PolarHBondContact O-N 3.38Å; D79-R83 WeakPolarHBondContact O-CB 3.41Å; D79-R83 VanDerWaalsContact O-CG 3.23Å; D79-R83 WeakPolarHBondContact O-CG 3.4Å; D79-R83 PolarHBondContact O-N 3.32Å; D79-R83 IonicContact OD1-CZ 3.85Å; D79-R83 IonicContact OD1-NE 2.81Å; D79-R83 PolarHBondContact OD1-NE 3.26Å; D79-R83 IonicContact OD1-NH2 2.73Å; D79-R83 PolarHBondContact OD1-NH2 2.99Å; D79-R83 IonicContact OD2-NE 3.39Å; D79-R83 PolarHBondContact OD2-NE 2.81Å
80	I	85.9	Confident	86.4	Confident	74 Å²	74	67 Å²	67	38%	0.379	37%	0.365	S	S	.	.	H	α-helix	trans	-62.6	-44.5	176.2	-67.6	166.1	0	0	0	110.8	K76 W78 G84	K76-I80 HydrophobicContact CG-CD1 4.11Å; K76-I80 WeakPolarHBondContact O-CD1 3.27Å; K76-I80 VanDerWaalsContact O-CG1 3.26Å; K76-I80 WeakPolarHBondContact O-CG1 3.49Å; K76-I80 PolarHBondContact O-N 3.22Å; W78-I80 PolarHBondContact O-N 2.77Å; I80-G84 PolarHBondContact O-N 3.47Å
81	Y	88	Confident	85.4	Confident	18 Å²	18	66 Å²	66	7%	0.071	36%	0.363	C	S	.	.	H	α-helix	trans	-60.4	-53.4	178.8	176	-103.6	0	0	0	111.9	E49 F51 S77 W78 D79 R83 G84 V85 A94	E49-Y81 HydrophobicContact CG-CE2 4.35Å; E49-Y81 WeakPolarHBondContact OE1-CE2 3.45Å; F51-Y81 HydrophobicContact CE2-CE1 4.04Å; F51-Y81 HydrophobicContact CE2-CE2 4.14Å; F51-Y81 AromaticContact CE2-CZ 3.78Å; F51-Y81 HydrophobicContact CZ-CD2 4.04Å; F51-Y81 HydrophobicContact CZ-CE1 4.3Å; F51-Y81 AromaticContact CZ-CE2 3.65Å; F51-Y81 HydrophobicContact CZ-CE2 3.65Å; F51-Y81 AromaticContact CZ-CZ 3.79Å; S77-Y81 VanDerWaalsContact O-CB 3.25Å; S77-Y81 WeakPolarHBondContact O-CB 3.29Å; S77-Y81 PolarHBondContact O-N 2.98Å; W78-Y81 AromaticContact CE3-CD1 3.86Å; W78-Y81 HydrophobicContact CE3-CD1 3.86Å; W78-Y81 AromaticContact CZ3-CD1 3.9Å; W78-Y81 HydrophobicContact CZ3-CD1 3.9Å; W78-Y81 HydrophobicContact CZ3-CE1 4.13Å; W78-Y81 PolarHBondContact O-N 2.92Å; D79-Y81 PolarHBondContact O-N 3.38Å; Y81-R83 PolarHBondContact O-N 2.75Å; Y81-G84 WeakPolarHBondContact O-CA 3.02Å; Y81-G84 PolarHBondContact O-N 2.85Å; Y81-G84 VanDerWaalsContact O-N 3.07Å; Y81-V85 HydrophobicContact CD1-CG2 4.5Å; Y81-V85 HydrophobicContact CE1-CG2 4.08Å; Y81-V85 HydrophobicContact CE2-CG2 4.18Å; Y81-V85 WeakPolarHBondContact O-CG2 3.39Å; Y81-V85 PolarHBondContact O-N 3.06Å; Y81-A94 HydrophobicContact CD2-CB 3.88Å; Y81-A94 HydrophobicContact CE2-CB 3.87Å
82	F	91.1	Very high	84.5	Confident	6 Å²	6	64.7 Å²	64.7	3%	0.026	36%	0.356	C	S	.	.	H	α-helix	trans	-67.4	-36.5	-177.7	-64.5	-47	0	0	0	112.8	I60 M63 Y64 W67 W78 G84 V85 D86	I60-F82 HydrophobicContact CG2-CE1 4.46Å; M63-F82 HydrophobicContact CB-CE2 4.03Å; M63-F82 HydrophobicContact CB-CZ 3.99Å; Y64-F82 HydrophobicContact CD2-CB 4.26Å; Y64-F82 AromaticContact CD2-CD1 3.45Å; Y64-F82 HydrophobicContact CD2-CD1 3.45Å; Y64-F82 VanDerWaalsContact CD2-CD1 3.45Å; Y64-F82 HydrophobicContact CD2-CD2 4.24Å; Y64-F82 AromaticContact CD2-CE1 3.71Å; Y64-F82 HydrophobicContact CD2-CE1 3.71Å; Y64-F82 HydrophobicContact CD2-CE2 4.44Å; Y64-F82 AromaticContact CD2-CG 3.75Å; Y64-F82 HydrophobicContact CD2-CG 3.75Å; Y64-F82 HydrophobicContact CD2-CZ 4.2Å; Y64-F82 HydrophobicContact CE2-CB 4.38Å; Y64-F82 HydrophobicContact CE2-CD1 4.12Å; Y64-F82 HydrophobicContact CE2-CG 4.33Å; Y64-F82 HydrophobicContact CG-CD1 4.38Å; Y64-F82 HydrophobicContact CG-CE1 4.2Å; Y64-F82 HydrophobicContact CG-CZ 4.49Å; W67-F82 HydrophobicContact CB-CD2 3.68Å; W67-F82 HydrophobicContact CB-CE2 4.06Å; W67-F82 HydrophobicContact CD2-CB 3.56Å; W67-F82 AromaticContact CD2-CD2 3.92Å; W67-F82 HydrophobicContact CD2-CD2 3.92Å; W67-F82 HydrophobicContact CD2-CG 4.12Å; W67-F82 HydrophobicContact CE3-CB 3.66Å; W67-F82 HydrophobicContact CE3-CD2 4.36Å; W67-F82 HydrophobicContact CE3-CG 4.23Å; W67-F82 HydrophobicContact CG-CB 4.13Å; W67-F82 AromaticContact CG-CD2 3.6Å; W67-F82 HydrophobicContact CG-CD2 3.6Å; W67-F82 HydrophobicContact CG-CE2 4.44Å; W67-F82 HydrophobicContact CG-CG 4.28Å; W67-F82 HydrophobicContact CH2-CB 4.07Å; W67-F82 HydrophobicContact CZ2-CB 4Å; W67-F82 HydrophobicContact CZ3-CB 3.91Å; W78-F82 HydrophobicContact CB-CD2 4.19Å; W78-F82 HydrophobicContact CB-CE2 3.91Å; W78-F82 HydrophobicContact CD2-CE2 4.32Å; W78-F82 HydrophobicContact CD2-CZ 4.37Å; W78-F82 HydrophobicContact CE3-CE1 4.06Å; W78-F82 AromaticContact CE3-CE2 3.78Å; W78-F82 HydrophobicContact CE3-CE2 3.78Å; W78-F82 AromaticContact CE3-CZ 3.48Å; W78-F82 HydrophobicContact CE3-CZ 3.48Å; W78-F82 VanDerWaalsContact CE3-CZ 3.48Å; W78-F82 HydrophobicContact CG-CE2 4.43Å; W78-F82 HydrophobicContact CZ3-CE1 4.3Å; W78-F82 AromaticContact CZ3-CZ 3.96Å; W78-F82 HydrophobicContact CZ3-CZ 3.96Å; W78-F82 WeakPolarHBondContact O-CB 3.43Å; W78-F82 WeakPolarHBondContact O-CD2 3.35Å; W78-F82 WeakPolarHBondContact O-CG 3.1Å; W78-F82 PolarHBondContact O-N 3.47Å; F82-G84 VanDerWaalsContact C-N 3.28Å; F82-G84 PolarHBondContact O-N 2.87Å; F82-V85 PolarHBondContact O-N 3.21Å; F82-D86 WeakPolarHBondContact O-CB 3.43Å; F82-D86 PolarHBondContact O-N 3.23Å
83	R	88.3	Confident	83.9	Confident	131 Å²	131	62.1 Å²	62.1	49%	0.494	34%	0.343	S	S	.	.	H	α-helix	trans	-60.5	-39.4	169.4	-73.5	-179.6	-170.1	-76.5	-10.2	112.2	W67 D79 Y81 S87	W67-R83 HydrophobicContact CH2-CG 4.48Å; W67-R83 HydrophobicContact CZ2-CG 3.65Å; D79-R83 WeakPolarHBondContact O-CB 3.41Å; D79-R83 VanDerWaalsContact O-CG 3.23Å; D79-R83 WeakPolarHBondContact O-CG 3.4Å; D79-R83 PolarHBondContact O-N 3.32Å; D79-R83 IonicContact OD1-CZ 3.85Å; D79-R83 IonicContact OD1-NE 2.81Å; D79-R83 PolarHBondContact OD1-NE 3.26Å; D79-R83 IonicContact OD1-NH2 2.73Å; D79-R83 PolarHBondContact OD1-NH2 2.99Å; D79-R83 IonicContact OD2-NE 3.39Å; D79-R83 PolarHBondContact OD2-NE 2.81Å; Y81-R83 PolarHBondContact O-N 2.75Å; R83-S87 VanDerWaalsContact O-CB 3.26Å; R83-S87 WeakPolarHBondContact O-CB 3.25Å; R83-S87 PolarHBondContact O-N 3.4Å; R83-S87 PolarHBondContact O-OG 3.31Å
84	G	85.5	Confident	83.2	Confident	7 Å²	7	59.1 Å²	59.1	7%	0.072	32%	0.322	C	S	.	.	H	α-helix	trans	-60	-50.2	175.5	0	0	0	0	0	111.5	I80 Y81 F82 S87 G88 L89	I80-G84 PolarHBondContact O-N 3.47Å; Y81-G84 WeakPolarHBondContact O-CA 3.02Å; Y81-G84 PolarHBondContact O-N 2.85Å; Y81-G84 VanDerWaalsContact O-N 3.07Å; F82-G84 VanDerWaalsContact C-N 3.28Å; F82-G84 PolarHBondContact O-N 2.87Å; G84-S87 PolarHBondContact O-N 2.89Å; G84-S87 PolarHBondContact O-OG 3.01Å; G84-G88 PolarHBondContact O-N 3.01Å; G84-L89 VanDerWaalsContact O-CB 3.29Å; G84-L89 WeakPolarHBondContact O-CB 3.23Å; G84-L89 WeakPolarHBondContact O-CG 3.37Å; G84-L89 PolarHBondContact O-N 3.37Å; G84-L89 VanDerWaalsContact O-N 3.1Å
85	V	85.7	Confident	82.6	Confident	63 Å²	63	62 Å²	62	38%	0.382	33%	0.332	S	S	.	.	H	α-helix	trans	-61.1	-48.4	176.9	177.9	0	0	0	0	111.5	Y81 F82 S87 G88 A94	Y81-V85 HydrophobicContact CD1-CG2 4.5Å; Y81-V85 HydrophobicContact CE1-CG2 4.08Å; Y81-V85 HydrophobicContact CE2-CG2 4.18Å; Y81-V85 WeakPolarHBondContact O-CG2 3.39Å; Y81-V85 PolarHBondContact O-N 3.06Å; F82-V85 PolarHBondContact O-N 3.21Å; V85-S87 PolarHBondContact O-N 3.38Å; V85-G88 PolarHBondContact O-N 3.49Å; V85-A94 HydrophobicContact CG2-CB 3.66Å
86	D	83.6	Confident	81.6	Confident	94 Å²	94	59.9 Å²	59.9	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-63.1	-28.9	178.4	-92.9	17.3	0	0	0	112.7	Y64 W67 F82 G88	Y64-D86 PolarHBondContact OH-OD1 3.16Å; W67-D86 HydrophobicContact CH2-CB 4.5Å; W67-D86 WeakPolarHBondContact CH2-OD2 3.49Å; F82-D86 WeakPolarHBondContact O-CB 3.43Å; F82-D86 PolarHBondContact O-N 3.23Å; D86-G88 PolarHBondContact O-N 3.04Å
87	S	82.3	Confident	80.6	Confident	88 Å²	88	56.5 Å²	56.5	62%	0.615	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-0.3	174.9	72.6	0	0	0	0	114.2	R83 G84 V85	R83-S87 VanDerWaalsContact O-CB 3.26Å; R83-S87 WeakPolarHBondContact O-CB 3.25Å; R83-S87 PolarHBondContact O-N 3.4Å; R83-S87 PolarHBondContact O-OG 3.31Å; G84-S87 PolarHBondContact O-N 2.89Å; G84-S87 PolarHBondContact O-OG 3.01Å; V85-S87 PolarHBondContact O-N 3.38Å
88	G	80.8	Confident	79.2	Confident	63 Å²	63	58.8 Å²	58.8	65%	0.649	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	22.6	177.4	0	0	0	0	0	114.5	G84 V85 D86	G84-G88 PolarHBondContact O-N 3.01Å; V85-G88 PolarHBondContact O-N 3.49Å; D86-G88 PolarHBondContact O-N 3.04Å
89	L	78.8	Confident	77.3	Confident	83 Å²	83	62.9 Å²	62.9	44%	0.435	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-67.1	138.2	170.8	-64.8	178.4	0	0	0	110.2	G84 D93 A94	G84-L89 VanDerWaalsContact O-CB 3.29Å; G84-L89 WeakPolarHBondContact O-CB 3.23Å; G84-L89 WeakPolarHBondContact O-CG 3.37Å; G84-L89 PolarHBondContact O-N 3.37Å; G84-L89 VanDerWaalsContact O-N 3.1Å; L89-D93 HydrophobicContact CB-CB 4.49Å; L89-A94 HydrophobicContact CB-CB 4.25Å
90	E	75.7	Confident	75.4	Confident	67 Å²	67	65.5 Å²	65.5	31%	0.313	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-70	152.4	178.2	-66	-87.9	174.8	0	0	110.4	R39 G92 D93	R39-E90 IonicContact CZ-OE1 3.24Å; R39-E90 IonicContact NH1-OE1 3.75Å; R39-E90 PolarHBondContact NH1-OE1 3.09Å; E90-G92 PolarHBondContact O-N 3.23Å; E90-D93 WeakPolarHBondContact O-CB 3.37Å; E90-D93 PolarHBondContact O-N 3.46Å
91	P	68.5	Low	73.1	Confident	51 Å²	51	70.6 Å²	70.6	33%	0.331	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	130.2	176.6	-25.8	33.9	0	0	0	111.9	L46	L46-P91 HydrophobicContact CD1-CB 4.46Å
92	G	71.8	Confident	70.6	Confident	12 Å²	12	75.1 Å²	75.1	12%	0.124	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.3	-22.7	-174.4	0	0	0	0	0	114.6	K45 E49 E90	K45-G92 WeakPolarHBondContact O-CA 3.46Å; E49-G92 VanDerWaalsContact OE1-CA 3.31Å; E49-G92 WeakPolarHBondContact OE1-CA 3.27Å; E49-G92 PolarHBondContact OE1-N 3.37Å; E49-G92 PolarHBondContact OE2-N 3.15Å; E90-G92 PolarHBondContact O-N 3.23Å
93	D	77	Confident	67.9	Low	86 Å²	86	81 Å²	81	46%	0.46	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-16.1	179.3	-62.9	-48	0	0	0	112.1	K45 L89 E90	K45-D93 IonicContact NZ-OD1 3.03Å; K45-D93 IonicContact NZ-OD2 2.69Å; K45-D93 PolarHBondContact NZ-OD2 2.98Å; L89-D93 HydrophobicContact CB-CB 4.49Å; E90-D93 WeakPolarHBondContact O-CB 3.37Å; E90-D93 PolarHBondContact O-N 3.46Å
94	A	75.5	Confident	65.3	Low	4 Å²	4	83.2 Å²	83.2	3%	0.033	51%	0.509	C	S	.	.	S	Bend	trans	-81.9	-28.1	178.4	0	0	0	0	0	113	Y81 V85 L89 T96	Y81-A94 HydrophobicContact CD2-CB 3.88Å; Y81-A94 HydrophobicContact CE2-CB 3.87Å; V85-A94 HydrophobicContact CG2-CB 3.66Å; L89-A94 HydrophobicContact CB-CB 4.25Å; A94-T96 PolarHBondContact O-N 2.85Å
95	Y	77.2	Confident	62.8	Low	73 Å²	73	92.1 Å²	92.1	29%	0.286	55%	0.546	S	S	.	.			trans	-81.7	117.5	178.3	174.9	-110.6	0	0	0	112.5	A48 E49 F51 P97	A48-Y95 WeakPolarHBondContact O-CD1 3.4Å; A48-Y95 WeakPolarHBondContact O-CE1 3.38Å; E49-Y95 HydrophobicContact CG-CG 4.23Å; E49-Y95 PolarHBondContact OE1-N 3.1Å; F51-Y95 HydrophobicContact CD1-CD2 4.49Å; F51-Y95 HydrophobicContact CD1-CE2 4.44Å; F51-Y95 HydrophobicContact CE1-CD1 4.47Å; F51-Y95 AromaticContact CE1-CD2 3.44Å; F51-Y95 HydrophobicContact CE1-CD2 3.44Å; F51-Y95 VanDerWaalsContact CE1-CD2 3.44Å; F51-Y95 AromaticContact CE1-CE2 3.77Å; F51-Y95 HydrophobicContact CE1-CE2 3.77Å; F51-Y95 AromaticContact CE1-CG 3.82Å; F51-Y95 HydrophobicContact CE1-CG 3.82Å; F51-Y95 AromaticContact CZ-CD2 3.98Å; F51-Y95 HydrophobicContact CZ-CD2 3.98Å; F51-Y95 HydrophobicContact CZ-CG 4.33Å; Y95-P97 HydrophobicContact CE1-CB 4.08Å
96	T	68.5	Low	60.3	Low	84 Å²	84	97.3 Å²	97.3	52%	0.515	57%	0.566	S	S	.	*			trans	-106.7	112.7	169.2	-54.5	0	0	0	0	109	A94	A94-T96 PolarHBondContact O-N 2.85Å
97	P	63.2	Low	57.7	Low	83 Å²	83	105 Å²	105	54%	0.539	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-61.6	139.9	177.2	23.7	-31.5	0	0	0	110.2	Y95	Y95-P97 HydrophobicContact CE1-CB 4.08Å
98	P	56.3	Low	55.2	Low	82 Å²	82	106.7 Å²	106.7	53%	0.532	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-60.5	144	-178.6	22.7	-31.2	0	0	0	110.9	A100	P98-A100 PolarHBondContact O-N 2.88Å
99	P	50.2	Low	52.8	Low	123 Å²	123	108.9 Å²	108.9	80%	0.799	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-59.8	126.7	176.8	12.8	-14.3	0	0	0	109.3	L101	P99-L101 PolarHBondContact O-N 3.18Å
100	A	49.2	Very low	50.5	Low	84 Å²	84	112.4 Å²	112.4	69%	0.694	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-53.4	132	174.7	0	0	0	0	0	109.4	P98 T102	P98-A100 PolarHBondContact O-N 2.88Å; A100-T102 PolarHBondContact O-N 3.28Å
101	L	38	Very low	48.5	Very low	180 Å²	180	114.2 Å²	114.2	94%	0.942	64%	0.635	S	S	*	*	S	Bend	trans	-64	81.5	173.5	-80.9	156.1	0	0	0	109.5	P99	P99-L101 PolarHBondContact O-N 3.18Å
102	T	34.6	Very low	47	Very low	114 Å²	114	116.7 Å²	116.7	70%	0.699	65%	0.654	S	S	*	*	S	Bend	trans	-168.2	134	160.3	12.9	0	0	0	0	110	A100 L104	A100-T102 PolarHBondContact O-N 3.28Å; T102-L104 PolarHBondContact O-N 2.93Å
103	P	35.5	Very low	45.4	Very low	128 Å²	128	122.2 Å²	122.2	83%	0.831	69%	0.685	S	S	*	*			trans	-75.1	125	-174.4	29.2	-31.6	0	0	0	111.5	K105	P103-K105 PolarHBondContact O-N 3.05Å; P103-K105 VanDerWaalsContact O-N 3.16Å
104	L	32.7	Very low	43.5	Very low	179 Å²	179	119.6 Å²	119.6	94%	0.937	68%	0.678	S	S	*	*			trans	-58.9	110	173.2	-120.2	85.4	0	0	0	110.9	T102	T102-L104 PolarHBondContact O-N 2.93Å
105	K	33.4	Very low	42	Very low	193 Å²	193	128.1 Å²	128.1	84%	0.839	72%	0.717	S	S	*	*			trans	-94.3	119.6	157.1	-93.5	-174.7	177.3	179	0	109.4	P103	P103-K105 PolarHBondContact O-N 3.05Å; P103-K105 VanDerWaalsContact O-N 3.16Å
106	Q	32.9	Very low	40.7	Very low	172 Å²	172	130 Å²	130	80%	0.804	74%	0.736	S	S	*	*			trans	42.8	113.6	151.7	-75.6	174.8	-26.3	0	0	119.2	T108	Q106-T108 PolarHBondContact O-N 3.19Å
107	R	30.2	Very low	40	Very low	256 Å²	256	133.1 Å²	133.1	97%	0.966	75%	0.745	S	S	*	*			trans	-21.9	98.8	153	-70.3	173.9	168.3	176.3	-4.4	114.1
108	T	29	Very low	40	Very low	123 Å²	123	135.8 Å²	135.8	76%	0.755	75%	0.754	S	S	*	*			trans	-123.8	136.8	148.4	40.6	0	0	0	0	107.2	Q106 I110	Q106-T108 PolarHBondContact O-N 3.19Å; T108-I110 PolarHBondContact O-N 3.39Å
109	S	29.7	Very low	40.5	Very low	110 Å²	110	134.4 Å²	134.4	77%	0.769	75%	0.746	S	S	*	*			trans	-22.7	119.8	175.1	48.6	0	0	0	0	113.9	P111	S109-P111 WeakPolarHBondContact O-CD 3.26Å; S109-P111 VanDerWaalsContact O-N 3.15Å
110	I	31.6	Very low	41.9	Very low	156 Å²	156	129.7 Å²	129.7	80%	0.8	72%	0.719	S	S	*	*			trans	-59.4	110.9	171.2	-60.2	165.9	0	0	0	107.3	T108	T108-I110 PolarHBondContact O-N 3.39Å
111	P	32.7	Very low	43.6	Very low	105 Å²	105	130.7 Å²	130.7	68%	0.682	71%	0.712	S	S	*	*			trans	-70.7	137.9	152.6	15.8	1	0	0	0	105.8	S109 V113	S109-P111 WeakPolarHBondContact O-CD 3.26Å; S109-P111 VanDerWaalsContact O-N 3.15Å; P111-V113 PolarHBondContact O-N 2.87Å
112	S	37	Very low	46	Very low	103 Å²	103	126.7 Å²	126.7	72%	0.72	69%	0.689	S	S	*	*			trans	-40.1	120.7	168.5	55.6	0	0	0	0	109.3	G114	S112-G114 PolarHBondContact O-N 2.79Å
113	V	39.5	Very low	48.6	Very low	129 Å²	129	122.2 Å²	122.2	78%	0.782	66%	0.66	S	S	*	*			trans	-62	96	165.3	179	0	0	0	0	104.3	P111	P111-V113 PolarHBondContact O-N 2.87Å
114	G	36.1	Very low	51.3	Low	30 Å²	30	119.8 Å²	119.8	31%	0.309	64%	0.638	S	S	.	*			trans	-65.5	150.6	-171.7	0	0	0	0	0	109	S112 T116	S112-G114 PolarHBondContact O-N 2.79Å; G114-T116 PolarHBondContact O-N 3.15Å
115	H	45.3	Very low	54.1	Low	184 Å²	184	114.8 Å²	114.8	85%	0.852	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.5	-10.6	164.8	-85.3	-79.5	0	0	0	114.7	S119	H115-S119 VanDerWaalsContact O-CB 3.23Å; H115-S119 WeakPolarHBondContact O-CB 3.47Å; H115-S119 PolarHBondContact O-N 3.44Å
116	T	48.3	Very low	57	Low	112 Å²	112	106.1 Å²	106.1	69%	0.687	57%	0.574	S	S	*	*	H	α-helix	trans	-67.6	-36.6	-176.5	-19.2	0	0	0	0	115.7	G114 G120	G114-T116 PolarHBondContact O-N 3.15Å; T116-G120 PolarHBondContact O-N 3.31Å
117	E	53.6	Low	59.9	Low	150 Å²	150	98 Å²	98	70%	0.701	54%	0.536	S	S	*	.	H	α-helix	trans	-75.7	-42.8	-177.3	-80.8	-165.9	165.4	0	0	113.3	G120 I121	E117-G120 PolarHBondContact O-N 2.68Å; E117-I121 PolarHBondContact O-N 3.42Å
118	L	63.3	Low	63	Low	139 Å²	139	88.6 Å²	88.6	73%	0.728	50%	0.504	S	S	*	.	H	α-helix	trans	-67.8	-36.6	174.3	-80.9	160.6	0	0	0	111.8	G120 I121 Q122	L118-G120 VanDerWaalsContact C-N 3.32Å; L118-I121 PolarHBondContact O-N 3.39Å; L118-Q122 WeakPolarHBondContact O-CB 3.45Å; L118-Q122 PolarHBondContact O-N 3.42Å
119	S	67.1	Low	66.1	Low	53 Å²	53	87.6 Å²	87.6	37%	0.371	49%	0.49	S	S	.	.	H	α-helix	trans	-57.9	-45	170.7	152.7	0	0	0	0	111.1	H115 I121 Q122 D123	H115-S119 VanDerWaalsContact O-CB 3.23Å; H115-S119 WeakPolarHBondContact O-CB 3.47Å; H115-S119 PolarHBondContact O-N 3.44Å; S119-I121 PolarHBondContact O-N 3.44Å; S119-Q122 PolarHBondContact O-N 3.24Å; S119-D123 WeakPolarHBondContact O-CB 3.39Å; S119-D123 PolarHBondContact O-N 3.1Å
120	G	80	Confident	69.2	Low	23 Å²	23	82.4 Å²	82.4	24%	0.237	45%	0.454	C	S	.	.	H	α-helix	trans	-58.6	-44.4	176.5	0	0	0	0	0	112.8	T116 E117 L118 D123 H124	T116-G120 PolarHBondContact O-N 3.31Å; E117-G120 PolarHBondContact O-N 2.68Å; L118-G120 VanDerWaalsContact C-N 3.32Å; G120-D123 PolarHBondContact O-N 2.66Å; G120-H124 PolarHBondContact O-N 2.75Å; G120-H124 VanDerWaalsContact O-N 3.1Å; G120-H124 PolarHBondContact O-ND1 2.87Å
121	I	85	Confident	72.2	Confident	105 Å²	105	75 Å²	75	54%	0.538	42%	0.416	S	S	.	.	H	α-helix	trans	-65.1	-46	177.4	-63.7	168.1	0	0	0	111	E117 L118 S119 D123 H124 L125	E117-I121 PolarHBondContact O-N 3.42Å; L118-I121 PolarHBondContact O-N 3.39Å; S119-I121 PolarHBondContact O-N 3.44Å; I121-D123 VanDerWaalsContact C-N 3.28Å; I121-D123 PolarHBondContact O-N 3Å; I121-H124 PolarHBondContact O-N 2.9Å; I121-L125 HydrophobicContact CG2-CD1 4.31Å; I121-L125 WeakPolarHBondContact O-CG 3.47Å; I121-L125 PolarHBondContact O-N 2.86Å
122	Q	87.6	Confident	75.2	Confident	97 Å²	97	76.8 Å²	76.8	45%	0.453	41%	0.409	S	S	.	.	H	α-helix	trans	-59.4	-41.9	178.1	-174.9	61.8	46.8	0	0	111.4	L118 S119 H124 L125 N126	L118-Q122 WeakPolarHBondContact O-CB 3.45Å; L118-Q122 PolarHBondContact O-N 3.42Å; S119-Q122 PolarHBondContact O-N 3.24Å; Q122-H124 VanDerWaalsContact C-N 3.35Å; Q122-H124 PolarHBondContact O-N 3.48Å; Q122-L125 PolarHBondContact O-N 3.4Å; Q122-N126 PolarHBondContact NE2-OD1 3.19Å; Q122-N126 WeakPolarHBondContact O-CB 3.43Å; Q122-N126 VanDerWaalsContact O-CG 3.22Å; Q122-N126 PolarHBondContact O-N 3.3Å; Q122-N126 PolarHBondContact O-OD1 2.99Å
123	D	90.9	Very high	77.9	Confident	20 Å²	20	72.9 Å²	72.9	11%	0.107	38%	0.382	C	S	.	.	H	α-helix	trans	-66.4	-37.2	178.9	-66.9	-11.9	0	0	0	111.3	S119 G120 I121 N126 V127 F169 R176 F178	S119-D123 WeakPolarHBondContact O-CB 3.39Å; S119-D123 PolarHBondContact O-N 3.1Å; G120-D123 PolarHBondContact O-N 2.66Å; I121-D123 VanDerWaalsContact C-N 3.28Å; I121-D123 PolarHBondContact O-N 3Å; D123-N126 WeakPolarHBondContact O-CB 3.27Å; D123-N126 PolarHBondContact O-N 3.3Å; D123-V127 WeakPolarHBondContact O-CG2 3.16Å; D123-V127 PolarHBondContact O-N 2.97Å; D123-F169 HydrophobicContact CB-CE1 3.98Å; D123-F169 HydrophobicContact CB-CZ 3.9Å; D123-F169 WeakPolarHBondContact O-CZ 3.49Å; D123-R176 IonicContact OD2-CZ 3.18Å; D123-R176 IonicContact OD2-NH1 2.8Å; D123-R176 PolarHBondContact OD2-NH1 2.81Å; D123-R176 VanDerWaalsContact OD2-NH1 3.1Å; D123-R176 IonicContact OD2-NH2 3.96Å; D123-R176 PolarHBondContact OD2-NH2 2.98Å; D123-F178 HydrophobicContact CB-CE1 3.8Å; D123-F178 HydrophobicContact CB-CZ 4.38Å
124	H	91.1	Very high	80.6	Confident	76 Å²	76	67.1 Å²	67.1	35%	0.352	35%	0.346	S	S	.	.	H	α-helix	trans	-64.6	-41	172.6	-76.6	79.8	0	0	0	112.4	G120 I121 Q122 N126 V127 Q128 L179	G120-H124 PolarHBondContact O-N 2.75Å; G120-H124 VanDerWaalsContact O-N 3.1Å; G120-H124 PolarHBondContact O-ND1 2.87Å; I121-H124 PolarHBondContact O-N 2.9Å; Q122-H124 VanDerWaalsContact C-N 3.35Å; Q122-H124 PolarHBondContact O-N 3.48Å; H124-N126 VanDerWaalsContact C-N 3.32Å; H124-N126 PolarHBondContact O-N 3.33Å; H124-V127 PolarHBondContact O-N 3.1Å; H124-Q128 PolarHBondContact O-N 2.84Å; H124-L179 PolarHBondContact NE2-N 3.34Å
125	L	92.2	Very high	83.4	Confident	74 Å²	74	65.8 Å²	65.8	39%	0.387	33%	0.332	S	S	.	.	H	α-helix	trans	-63.3	-39.6	174.2	-68.5	173.2	0	0	0	111.6	I121 Q122 Q128 Q129	I121-L125 HydrophobicContact CG2-CD1 4.31Å; I121-L125 WeakPolarHBondContact O-CG 3.47Å; I121-L125 PolarHBondContact O-N 2.86Å; Q122-L125 PolarHBondContact O-N 3.4Å; L125-Q128 WeakPolarHBondContact O-CB 3.47Å; L125-Q128 PolarHBondContact O-N 2.84Å; L125-Q129 WeakPolarHBondContact O-CG 3.45Å; L125-Q129 PolarHBondContact O-N 3.04Å
126	N	93.7	Very high	85.7	Confident	11 Å²	11	58.5 Å²	58.5	6%	0.059	30%	0.303	C	S	.	.	H	α-helix	trans	-64	-42.2	175.7	-76.8	-0.4	0	0	0	111.6	Q122 D123 H124 Q128 Q129 L130 Y167 F169	Q122-N126 PolarHBondContact NE2-OD1 3.19Å; Q122-N126 WeakPolarHBondContact O-CB 3.43Å; Q122-N126 VanDerWaalsContact O-CG 3.22Å; Q122-N126 PolarHBondContact O-N 3.3Å; Q122-N126 PolarHBondContact O-OD1 2.99Å; D123-N126 WeakPolarHBondContact O-CB 3.27Å; D123-N126 PolarHBondContact O-N 3.3Å; H124-N126 VanDerWaalsContact C-N 3.32Å; H124-N126 PolarHBondContact O-N 3.33Å; N126-Q128 VanDerWaalsContact C-N 3.33Å; N126-Q128 PolarHBondContact O-N 3.31Å; N126-Q129 PolarHBondContact O-N 2.97Å; N126-L130 WeakPolarHBondContact O-CB 3.48Å; N126-L130 PolarHBondContact O-N 3.31Å; N126-Y167 HydrophobicContact CB-CD1 4.42Å; N126-Y167 PolarHBondContact ND2-O 3.16Å; N126-F169 HydrophobicContact CB-CE2 3.73Å; N126-F169 HydrophobicContact CB-CZ 4.02Å
127	V	93.7	Very high	87.9	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-63.1	-39.7	173.3	170.5	0	0	0	0	111.5	D123 H124 L130 I131 F169 F178 L195 I198	D123-V127 WeakPolarHBondContact O-CG2 3.16Å; D123-V127 PolarHBondContact O-N 2.97Å; H124-V127 PolarHBondContact O-N 3.1Å; V127-L130 PolarHBondContact O-N 3.29Å; V127-I131 HydrophobicContact CG1-CD1 4Å; V127-I131 WeakPolarHBondContact O-CG1 3.4Å; V127-I131 PolarHBondContact O-N 3.5Å; V127-F169 HydrophobicContact CG2-CE2 3.72Å; V127-F169 HydrophobicContact CG2-CZ 3.74Å; V127-F178 HydrophobicContact CB-CD1 4.42Å; V127-F178 HydrophobicContact CB-CG 4.46Å; V127-F178 HydrophobicContact CG1-CB 4.29Å; V127-F178 HydrophobicContact CG1-CG 4.49Å; V127-F178 HydrophobicContact CG2-CB 4.39Å; V127-F178 HydrophobicContact CG2-CD1 3.69Å; V127-F178 HydrophobicContact CG2-CD2 3.94Å; V127-F178 HydrophobicContact CG2-CE1 3.84Å; V127-F178 HydrophobicContact CG2-CE2 4.09Å; V127-F178 HydrophobicContact CG2-CG 3.73Å; V127-F178 HydrophobicContact CG2-CZ 4.03Å; V127-L195 HydrophobicContact CG2-CD1 4.21Å; V127-I198 HydrophobicContact CG1-CD1 3.86Å
128	Q	94.7	Very high	89.8	Confident	60 Å²	60	50.3 Å²	50.3	28%	0.28	26%	0.256	S	S	.	.	H	α-helix	trans	-62.5	-42.9	174.5	-177.4	-179.4	10.3	0	0	112.1	H124 L125 N126 I131 R132 P181	H124-Q128 PolarHBondContact O-N 2.84Å; L125-Q128 WeakPolarHBondContact O-CB 3.47Å; L125-Q128 PolarHBondContact O-N 2.84Å; N126-Q128 VanDerWaalsContact C-N 3.33Å; N126-Q128 PolarHBondContact O-N 3.31Å; Q128-I131 PolarHBondContact O-N 2.93Å; Q128-R132 PolarHBondContact O-N 3.27Å; Q128-R132 VanDerWaalsContact O-N 3.08Å; Q128-P181 HydrophobicContact CB-CB 4.49Å; Q128-P181 HydrophobicContact CB-CG 4.38Å; Q128-P181 HydrophobicContact CG-CB 4.03Å; Q128-P181 HydrophobicContact CG-CG 4.12Å
129	Q	94.4	Very high	91.2	Very high	102 Å²	102	44.1 Å²	44.1	48%	0.477	22%	0.223	S	C	.	.	H	α-helix	trans	-65	-42.6	175.7	-70.3	177.6	22.9	0	0	111.5	L125 N126 I131 R132 S133 Y167	L125-Q129 WeakPolarHBondContact O-CG 3.45Å; L125-Q129 PolarHBondContact O-N 3.04Å; N126-Q129 PolarHBondContact O-N 2.97Å; Q129-I131 PolarHBondContact O-N 3.34Å; Q129-R132 WeakPolarHBondContact O-CB 3.46Å; Q129-R132 PolarHBondContact O-N 2.91Å; Q129-R132 VanDerWaalsContact O-N 3.15Å; Q129-S133 PolarHBondContact O-N 2.88Å; Q129-S133 PolarHBondContact O-OG 2.92Å; Q129-S133 VanDerWaalsContact O-OG 3.08Å; Q129-Y167 HydrophobicContact CB-CD1 4.2Å; Q129-Y167 HydrophobicContact CB-CE1 3.61Å
130	L	95	Very high	92.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.9	-48	175	-179.4	66.9	0	0	0	111.5	N126 V127 R132 S133 Y134 L164 Y167 L195 L199	N126-L130 WeakPolarHBondContact O-CB 3.48Å; N126-L130 PolarHBondContact O-N 3.31Å; V127-L130 PolarHBondContact O-N 3.29Å; L130-R132 VanDerWaalsContact C-N 3.33Å; L130-R132 PolarHBondContact O-N 3.11Å; L130-S133 PolarHBondContact O-N 3.25Å; L130-Y134 HydrophobicContact CD1-CD2 4.06Å; L130-Y134 HydrophobicContact CD1-CE2 3.7Å; L130-Y134 HydrophobicContact CG-CD2 4.19Å; L130-Y134 HydrophobicContact CG-CE2 4.11Å; L130-Y134 WeakPolarHBondContact O-CD2 3.39Å; L130-Y134 PolarHBondContact O-N 3.13Å; L130-L164 HydrophobicContact CD2-CD2 3.98Å; L130-Y167 HydrophobicContact CB-CD2 4.21Å; L130-Y167 HydrophobicContact CB-CE2 4.09Å; L130-Y167 HydrophobicContact CD1-CD2 3.73Å; L130-Y167 HydrophobicContact CD1-CE2 3.46Å; L130-Y167 VanDerWaalsContact CD1-CE2 3.46Å; L130-Y167 HydrophobicContact CG-CD2 4.49Å; L130-Y167 HydrophobicContact CG-CE2 4.38Å; L130-L195 HydrophobicContact CD2-CD1 3.99Å; L130-L199 HydrophobicContact CD2-CD2 3.94Å
131	I	95.3	Very high	92.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.6	-47.6	175.3	-71.4	161.7	0	0	0	110.6	V127 Q128 Q129 S133 Y134 Q135 L180 P181 T184 I198 L202	V127-I131 HydrophobicContact CG1-CD1 4Å; V127-I131 WeakPolarHBondContact O-CG1 3.4Å; V127-I131 PolarHBondContact O-N 3.5Å; Q128-I131 PolarHBondContact O-N 2.93Å; Q129-I131 PolarHBondContact O-N 3.34Å; I131-S133 VanDerWaalsContact C-N 3.31Å; I131-S133 PolarHBondContact O-N 3.23Å; I131-Y134 PolarHBondContact O-N 3.26Å; I131-Q135 VanDerWaalsContact O-CG 3.29Å; I131-Q135 WeakPolarHBondContact O-CG 3.24Å; I131-Q135 PolarHBondContact O-N 2.94Å; I131-L180 HydrophobicContact CD1-CD2 4.5Å; I131-P181 HydrophobicContact CD1-CG 3.85Å; I131-T184 HydrophobicContact CD1-CG2 4.21Å; I131-I198 HydrophobicContact CD1-CG2 4.35Å; I131-I198 HydrophobicContact CG1-CG2 4.05Å; I131-L202 HydrophobicContact CB-CD1 4.48Å; I131-L202 HydrophobicContact CG1-CD1 3.94Å; I131-L202 HydrophobicContact CG2-CD2 4.34Å
132	R	94.6	Very high	93.3	Very high	143 Å²	143	39 Å²	39	54%	0.54	19%	0.19	S	C	.	.	H	α-helix	trans	-62	-37.4	177.8	-77.1	-174	172.2	-170.7	-0.9	113	Q128 Q129 L130 Q135 A136	Q128-R132 PolarHBondContact O-N 3.27Å; Q128-R132 VanDerWaalsContact O-N 3.08Å; Q129-R132 WeakPolarHBondContact O-CB 3.46Å; Q129-R132 PolarHBondContact O-N 2.91Å; Q129-R132 VanDerWaalsContact O-N 3.15Å; L130-R132 VanDerWaalsContact C-N 3.33Å; L130-R132 PolarHBondContact O-N 3.11Å; R132-Q135 WeakPolarHBondContact O-CB 3.44Å; R132-Q135 PolarHBondContact O-N 2.84Å; R132-A136 WeakPolarHBondContact O-CB 3.45Å; R132-A136 PolarHBondContact O-N 3.22Å
133	S	95.5	Very high	93.6	Very high	22 Å²	22	40.3 Å²	40.3	15%	0.154	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-42.1	177.7	-63.5	0	0	0	0	111.5	Q129 L130 I131 Q135 A136 K137 E161 L162 Y167	Q129-S133 PolarHBondContact O-N 2.88Å; Q129-S133 PolarHBondContact O-OG 2.92Å; Q129-S133 VanDerWaalsContact O-OG 3.08Å; L130-S133 PolarHBondContact O-N 3.25Å; I131-S133 VanDerWaalsContact C-N 3.31Å; I131-S133 PolarHBondContact O-N 3.23Å; S133-Q135 VanDerWaalsContact C-N 3.34Å; S133-Q135 PolarHBondContact O-N 3.47Å; S133-A136 PolarHBondContact O-N 2.8Å; S133-K137 WeakPolarHBondContact O-CB 3.25Å; S133-K137 PolarHBondContact O-N 3.02Å; S133-E161 WeakPolarHBondContact CB-O 3.47Å; S133-L162 WeakPolarHBondContact O-CD2 3.26Å; S133-Y167 WeakPolarHBondContact CB-OH 3.3Å; S133-Y167 PolarHBondContact OG-OH 3.02Å
134	Y	95.2	Very high	93.8	Very high	8 Å²	8	39.9 Å²	39.9	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-62.4	-39.5	171.8	-86.2	-79.9	0	0	0	112.7	L130 I131 A136 G138 L162 L199 L202 K203	L130-Y134 HydrophobicContact CD1-CD2 4.06Å; L130-Y134 HydrophobicContact CD1-CE2 3.7Å; L130-Y134 HydrophobicContact CG-CD2 4.19Å; L130-Y134 HydrophobicContact CG-CE2 4.11Å; L130-Y134 WeakPolarHBondContact O-CD2 3.39Å; L130-Y134 PolarHBondContact O-N 3.13Å; I131-Y134 PolarHBondContact O-N 3.26Å; Y134-A136 VanDerWaalsContact C-N 3.29Å; Y134-A136 PolarHBondContact O-N 3.44Å; Y134-G138 WeakPolarHBondContact O-CA 3.25Å; Y134-G138 PolarHBondContact O-N 3.46Å; Y134-L162 HydrophobicContact CD1-CD2 4.06Å; Y134-L162 HydrophobicContact CD2-CD2 4.21Å; Y134-L162 HydrophobicContact CE1-CD2 4.28Å; Y134-L162 HydrophobicContact CE2-CD2 4.47Å; Y134-L162 HydrophobicContact CG-CD2 4.01Å; Y134-L162 PolarHBondContact OH-O 3.37Å; Y134-L199 HydrophobicContact CE2-CD2 3.79Å; Y134-L202 HydrophobicContact CD1-CB 4.12Å; Y134-L202 HydrophobicContact CD2-CB 4.26Å; Y134-L202 HydrophobicContact CD2-CD1 3.67Å; Y134-L202 HydrophobicContact CE2-CD1 4.36Å; Y134-L202 HydrophobicContact CG-CB 3.91Å; Y134-L202 HydrophobicContact CG-CD1 4Å; Y134-L202 HydrophobicContact CG-CG 4.44Å; Y134-K203 HydrophobicContact CE1-CG 4.02Å
135	Q	94.9	Very high	94	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-35.5	175.5	-72.2	165	-10.3	0	0	113.1	I131 R132 S133 Y206 Y214 Y223 R227 E231	I131-Q135 VanDerWaalsContact O-CG 3.29Å; I131-Q135 WeakPolarHBondContact O-CG 3.24Å; I131-Q135 PolarHBondContact O-N 2.94Å; R132-Q135 WeakPolarHBondContact O-CB 3.44Å; R132-Q135 PolarHBondContact O-N 2.84Å; S133-Q135 VanDerWaalsContact C-N 3.34Å; S133-Q135 PolarHBondContact O-N 3.47Å; Q135-Y206 HydrophobicContact CG-CE2 3.83Å; Q135-Y214 WeakPolarHBondContact CB-OH 3.34Å; Q135-Y214 WeakPolarHBondContact CG-OH 3.26Å; Q135-Y223 PolarHBondContact OE1-OH 2.78Å; Q135-R227 VanDerWaalsContact NE2-CZ 3.31Å; Q135-R227 VanDerWaalsContact NE2-NE 3.2Å; Q135-E231 PolarHBondContact NE2-OE1 3.39Å
136	A	94.1	Very high	94.1	Very high	31 Å²	31	34.7 Å²	34.7	26%	0.256	17%	0.17	S	C	.	.	H	α-helix	trans	-90.9	-27.7	-175.7	0	0	0	0	0	114.4	R132 S133 Y134 H139 T215	R132-A136 WeakPolarHBondContact O-CB 3.45Å; R132-A136 PolarHBondContact O-N 3.22Å; S133-A136 PolarHBondContact O-N 2.8Å; Y134-A136 VanDerWaalsContact C-N 3.29Å; Y134-A136 PolarHBondContact O-N 3.44Å; A136-H139 PolarHBondContact O-CD2 3.16Å; A136-H139 PolarHBondContact O-NE2 3.28Å; A136-H139 VanDerWaalsContact O-NE2 3.07Å; A136-T215 HydrophobicContact CB-CG2 3.92Å
137	K	93.2	Very high	94.2	Very high	90 Å²	90	34.3 Å²	34.3	39%	0.391	17%	0.168	S	C	.	.	H	α-helix	trans	-134.2	-3	-170.2	-68.4	-64.4	-171.6	176.7	0	114	S133 H139 S140 L162	S133-K137 WeakPolarHBondContact O-CB 3.25Å; S133-K137 PolarHBondContact O-N 3.02Å; K137-H139 PolarHBondContact O-N 3.08Å; K137-S140 VanDerWaalsContact O-CB 3.31Å; K137-S140 WeakPolarHBondContact O-CB 3.41Å; K137-S140 PolarHBondContact O-N 3.46Å; K137-L162 HydrophobicContact CB-CD1 4.35Å; K137-L162 HydrophobicContact CB-CD2 4.29Å; K137-L162 HydrophobicContact CB-CG 4.46Å
138	G	93.9	Very high	94	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-57.6	-33.7	179	0	0	0	0	0	112.5	Y134 S140 I141 A142 Y206 C207	Y134-G138 WeakPolarHBondContact O-CA 3.25Å; Y134-G138 PolarHBondContact O-N 3.46Å; G138-S140 PolarHBondContact O-N 3.49Å; G138-I141 WeakPolarHBondContact O-CG1 3.32Å; G138-I141 PolarHBondContact O-N 2.96Å; G138-I141 VanDerWaalsContact O-N 3.13Å; G138-A142 PolarHBondContact O-N 3.36Å; G138-Y206 CarbonylContact C-O 3.58Å; G138-C207 PolarHBondContact O-SG 3.45Å
139	H	94.1	Very high	93.7	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.046	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-59.9	-26.3	176.4	68.9	85.2	0	0	0	113.9	A136 K137 I141 A142 Y206 E213 Y451	A136-H139 PolarHBondContact O-CD2 3.16Å; A136-H139 PolarHBondContact O-NE2 3.28Å; A136-H139 VanDerWaalsContact O-NE2 3.07Å; K137-H139 PolarHBondContact O-N 3.08Å; H139-I141 VanDerWaalsContact C-N 3.28Å; H139-I141 PolarHBondContact O-N 3.32Å; H139-A142 PolarHBondContact O-N 3.23Å; H139-Y206 PolarHBondContact N-O 2.92Å; H139-E213 HydrophobicContact CB-CG 4.34Å; H139-E213 IonicContact CE1-OE1 3.25Å; H139-E213 PolarHBondContact CE1-OE1 3.4Å; H139-E213 VanDerWaalsContact CE1-OE1 3.24Å; H139-E213 IonicContact ND1-OE1 3.64Å; H139-E213 IonicContact NE2-OE1 2.78Å; H139-Y451 AromaticContact CE1-CE2 3.85Å; H139-Y451 AromaticContact ND1-CE2 3.55Å; H139-Y451 AromaticContact ND1-CZ 3.56Å; H139-Y451 PolarHBondContact ND1-OH 2.98Å; H139-Y451 PolarHBondContact O-OH 3.16Å; H139-Y451 VanDerWaalsContact O-OH 3.06Å
140	S	91.1	Very high	92.9	Very high	9 Å²	9	35.4 Å²	35.4	6%	0.063	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-67	-26.9	177.1	-74.7	0	0	0	0	113.2	K137 G138 A152 D153	K137-S140 VanDerWaalsContact O-CB 3.31Å; K137-S140 WeakPolarHBondContact O-CB 3.41Å; K137-S140 PolarHBondContact O-N 3.46Å; G138-S140 PolarHBondContact O-N 3.49Å; S140-A152 WeakPolarHBondContact O-CB 3.35Å; S140-D153 WeakPolarHBondContact CB-OD2 3.33Å; S140-D153 PolarHBondContact OG-OD2 3.08Å
141	I	91.3	Very high	92	Very high	50 Å²	50	36.8 Å²	36.8	26%	0.256	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-114.5	17.9	-179.1	63.4	164.4	0	0	0	112.3	G138 H139 T158 L162 C207	G138-I141 WeakPolarHBondContact O-CG1 3.32Å; G138-I141 PolarHBondContact O-N 2.96Å; G138-I141 VanDerWaalsContact O-N 3.13Å; H139-I141 VanDerWaalsContact C-N 3.28Å; H139-I141 PolarHBondContact O-N 3.32Å; I141-T158 HydrophobicContact CG2-CG2 4.3Å; I141-L162 HydrophobicContact CD1-CD1 3.54Å; I141-L162 HydrophobicContact CG1-CD1 3.74Å; I141-L162 HydrophobicContact CG2-CD1 4.29Å; I141-C207 HydrophobicContact CD1-CB 4.35Å; I141-C207 HydrophobicContact CG1-CB 4.12Å
142	A	93.5	Very high	90.8	Very high	15 Å²	15	37.6 Å²	37.6	12%	0.124	21%	0.21	C	C	.	.			trans	-72.8	142.7	178.8	0	0	0	0	0	111.9	G138 H139 L144 C207	G138-A142 PolarHBondContact O-N 3.36Å; H139-A142 PolarHBondContact O-N 3.23Å; A142-L144 HydrophobicContact CB-CD1 4.05Å; A142-L144 HydrophobicContact CB-CD2 3.92Å; A142-L144 HydrophobicContact CB-CG 3.65Å; A142-L144 PolarHBondContact O-N 2.86Å; A142-C207 WeakPolarHBondContact CA-O 3.39Å
143	E	93.8	Very high	89.7	Confident	124 Å²	124	33.1 Å²	33.1	58%	0.579	20%	0.197	S	C	*	.			trans	-75.5	61	176.1	-65.5	-175.3	-168.6	0	0	111.5	C207 N208 H209 N467	E143-C207 PolarHBondContact N-O 2.85Å; E143-N208 PolarHBondContact N-O 3.39Å; E143-H209 PolarHBondContact O-CD2 3.33Å; E143-N467 PolarHBondContact O-ND2 3.24Å
144	L	95	Very high	88.5	Confident	11 Å²	11	35.1 Å²	35.1	6%	0.058	21%	0.206	C	C	.	.			trans	-82.9	-35.3	-172.9	-61.1	172.8	0	0	0	113.4	A142 P146 Y451 H465 N467 V497	A142-L144 HydrophobicContact CB-CD1 4.05Å; A142-L144 HydrophobicContact CB-CD2 3.92Å; A142-L144 HydrophobicContact CB-CG 3.65Å; A142-L144 PolarHBondContact O-N 2.86Å; L144-P146 VanDerWaalsContact O-CD 3.27Å; L144-P146 WeakPolarHBondContact O-CD 3.46Å; L144-Y451 HydrophobicContact CD1-CE1 4.46Å; L144-H465 HydrophobicContact CD1-CB 3.55Å; L144-H465 HydrophobicContact CD2-CB 3.76Å; L144-H465 WeakPolarHBondContact CD2-O 3.5Å; L144-H465 HydrophobicContact CG-CB 4.26Å; L144-N467 WeakPolarHBondContact O-CA 3.43Å; L144-N467 WeakPolarHBondContact O-CB 3.34Å; L144-N467 VanDerWaalsContact O-CG 3.26Å; L144-N467 PolarHBondContact O-ND2 3.15Å; L144-V497 HydrophobicContact CB-CB 4.46Å; L144-V497 HydrophobicContact CB-CG2 4.2Å; L144-V497 WeakPolarHBondContact O-CB 3.4Å; L144-V497 WeakPolarHBondContact O-CG1 3.38Å
145	D	94.8	Very high	87.4	Confident	20 Å²	20	38.7 Å²	38.7	11%	0.107	23%	0.225	C	C	.	.			trans	-84.1	112.4	-173.5	178.2	12.6	0	0	0	111.5	L147 G148 I149 N150 Q436	D145-L147 PolarHBondContact O-N 2.69Å; D145-L147 VanDerWaalsContact O-N 3.12Å; D145-L147 WeakPolarHBondContact OD1-CB 3.38Å; D145-L147 PolarHBondContact OD1-N 3.08Å; D145-G148 PolarHBondContact O-N 3.44Å; D145-G148 PolarHBondContact OD2-N 2.96Å; D145-I149 WeakPolarHBondContact OD2-CG1 3.36Å; D145-I149 PolarHBondContact OD2-N 2.72Å; D145-N150 PolarHBondContact OD2-N 3.27Å; D145-Q436 PolarHBondContact OD1-NE2 2.96Å; D145-Q436 PolarHBondContact OD1-OE1 3.43Å; D145-Q436 PolarHBondContact OD2-OE1 3.1Å
146	P	95	Very high	86.4	Confident	20 Å²	20	45.7 Å²	45.7	13%	0.13	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19	176.3	25	-34.1	0	0	0	113.8	L144 D469 V497 Y499	L144-P146 VanDerWaalsContact O-CD 3.27Å; L144-P146 WeakPolarHBondContact O-CD 3.46Å; P146-D469 HydrophobicContact CB-CB 4.07Å; P146-D469 WeakPolarHBondContact CB-OD2 3.48Å; P146-V497 WeakPolarHBondContact CD-O 3.14Å; P146-Y499 HydrophobicContact CB-CD1 4.33Å; P146-Y499 HydrophobicContact CB-CE1 4.47Å; P146-Y499 HydrophobicContact CG-CD1 3.92Å; P146-Y499 HydrophobicContact CG-CE1 4.49Å
147	L	94.7	Very high	85.6	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-20.6	176.5	-55.5	-177.8	0	0	0	112.5	D145 I149 Y499 M517 K520 I521	D145-L147 PolarHBondContact O-N 2.69Å; D145-L147 VanDerWaalsContact O-N 3.12Å; D145-L147 WeakPolarHBondContact OD1-CB 3.38Å; D145-L147 PolarHBondContact OD1-N 3.08Å; L147-I149 VanDerWaalsContact C-N 3.27Å; L147-I149 HydrophobicContact CB-CD1 4.2Å; L147-I149 HydrophobicContact CB-CG1 3.95Å; L147-I149 HydrophobicContact CB-CG2 4.14Å; L147-I149 HydrophobicContact CD1-CD1 3.84Å; L147-I149 HydrophobicContact CD1-CG1 4.43Å; L147-I149 PolarHBondContact O-N 3.19Å; L147-Y499 HydrophobicContact CD2-CD1 3.83Å; L147-Y499 HydrophobicContact CD2-CE1 4.45Å; L147-Y499 HydrophobicContact CD2-CG 3.99Å; L147-Y499 HydrophobicContact CG-CD1 4.36Å; L147-Y499 HydrophobicContact CG-CG 4.48Å; L147-M517 HydrophobicContact CD1-CG 3.86Å; L147-K520 HydrophobicContact CB-CG 4.12Å; L147-K520 HydrophobicContact CD2-CG 4.42Å; L147-K520 WeakPolarHBondContact O-CE 3.39Å; L147-K520 WeakPolarHBondContact O-CG 3.47Å; L147-I521 HydrophobicContact CD1-CD1 4.14Å; L147-I521 HydrophobicContact CD1-CG1 3.66Å; L147-I521 HydrophobicContact CD2-CB 4.48Å; L147-I521 HydrophobicContact CD2-CG1 3.66Å; L147-I521 HydrophobicContact CG-CG1 4.34Å
148	G	90.7	Very high	85.1	Confident	67 Å²	67	46.7 Å²	46.7	69%	0.691	28%	0.276	S	S	*	.	S	Bend	trans	57.3	37.8	-175	0	0	0	0	0	113.5	D145	D145-G148 PolarHBondContact O-N 3.44Å; D145-G148 PolarHBondContact OD2-N 2.96Å
149	I	87	Confident	84.8	Confident	69 Å²	69	47.6 Å²	47.6	35%	0.354	28%	0.282	S	S	.	.			trans	-110.8	-23.3	178.5	65.1	175.6	0	0	0	112.9	D145 L147 M517 K520	D145-I149 WeakPolarHBondContact OD2-CG1 3.36Å; D145-I149 PolarHBondContact OD2-N 2.72Å; L147-I149 VanDerWaalsContact C-N 3.27Å; L147-I149 HydrophobicContact CB-CD1 4.2Å; L147-I149 HydrophobicContact CB-CG1 3.95Å; L147-I149 HydrophobicContact CB-CG2 4.14Å; L147-I149 HydrophobicContact CD1-CD1 3.84Å; L147-I149 HydrophobicContact CD1-CG1 4.43Å; L147-I149 PolarHBondContact O-N 3.19Å; I149-M517 HydrophobicContact CD1-CB 3.94Å; I149-M517 HydrophobicContact CD1-CG 3.62Å; I149-M517 HydrophobicContact CD1-SD 4.33Å; I149-K520 HydrophobicContact CG2-CB 4.36Å; I149-K520 HydrophobicContact CG2-CG 4.1Å
150	N	78.5	Confident	84.7	Confident	51 Å²	51	55.7 Å²	55.7	27%	0.273	31%	0.312	S	S	.	.			trans	-120.3	134.9	179.4	-71.3	-39.8	0	0	0	110.5	D145 Q436	D145-N150 PolarHBondContact OD2-N 3.27Å; N150-Q436 PolarHBondContact ND2-OE1 2.96Å
151	S	75.1	Confident	84.6	Confident	29 Å²	29	59.6 Å²	59.6	20%	0.203	33%	0.33	C	S	.	.			trans	-90.6	153.1	164.5	33.6	0	0	0	0	109.9	D153 L154 D155 D156	S151-D153 PolarHBondContact O-N 3.09Å; S151-L154 PolarHBondContact O-N 3.49Å; S151-D155 WeakPolarHBondContact CB-O 3.16Å; S151-D155 PolarHBondContact OG-N 2.91Å; S151-D155 PolarHBondContact OG-O 2.98Å; S151-D156 WeakPolarHBondContact CB-OD1 3.5Å; S151-D156 PolarHBondContact OG-OD1 3.44Å
152	A	71.6	Confident	84.6	Confident	16 Å²	16	57.6 Å²	57.6	13%	0.132	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-46	-176	0	0	0	0	0	113.2	S140 L154 P450 Y451	S140-A152 WeakPolarHBondContact O-CB 3.35Å; A152-L154 PolarHBondContact O-N 3.05Å; A152-P450 WeakPolarHBondContact O-CB 3.42Å; A152-Y451 HydrophobicContact CB-CE1 3.62Å; A152-Y451 WeakPolarHBondContact CB-OH 3.33Å
153	D	71	Confident	84.5	Confident	49 Å²	49	61 Å²	61	26%	0.262	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	4.5	178.6	-71.3	-39	0	0	0	112.8	S140 S151 D155	S140-D153 WeakPolarHBondContact CB-OD2 3.33Å; S140-D153 PolarHBondContact OG-OD2 3.08Å; S151-D153 PolarHBondContact O-N 3.09Å; D153-D155 PolarHBondContact O-N 2.65Å; D153-D155 VanDerWaalsContact O-N 3.11Å
154	L	70.8	Confident	84.4	Confident	65 Å²	65	56.9 Å²	56.9	34%	0.34	31%	0.314	S	S	.	.	S	Bend	trans	57.8	15.3	-171.5	-51.8	172.2	0	0	0	113	S151 A152 R444	S151-L154 PolarHBondContact O-N 3.49Å; A152-L154 PolarHBondContact O-N 3.05Å; L154-R444 HydrophobicContact CD1-CG 4.25Å
155	D	71.7	Confident	84.2	Confident	82 Å²	82	60.9 Å²	60.9	44%	0.439	34%	0.339	S	S	.	.	S	Bend	trans	-133.8	147.3	165.9	80.4	44.6	0	0	0	110	S151 D153 S157	S151-D155 WeakPolarHBondContact CB-O 3.16Å; S151-D155 PolarHBondContact OG-N 2.91Å; S151-D155 PolarHBondContact OG-O 2.98Å; D153-D155 PolarHBondContact O-N 2.65Å; D153-D155 VanDerWaalsContact O-N 3.11Å; D155-S157 PolarHBondContact O-N 3Å; D155-S157 WeakPolarHBondContact OD1-CA 3.36Å; D155-S157 WeakPolarHBondContact OD1-CB 3.21Å; D155-S157 PolarHBondContact OD1-N 2.65Å; D155-S157 PolarHBondContact OD1-OG 2.82Å
156	D	73.2	Confident	84	Confident	148 Å²	148	62.2 Å²	62.2	79%	0.791	35%	0.348	S	S	*	.			trans	-85	17.8	-176.9	-61.9	-26.2	0	0	0	112.5	S151	S151-D156 WeakPolarHBondContact CB-OD1 3.5Å; S151-D156 PolarHBondContact OG-OD1 3.44Å
157	S	77.7	Confident	83.9	Confident	70 Å²	70	61.8 Å²	61.8	49%	0.49	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-80.6	137.3	-178.6	78.5	0	0	0	0	110.8	D155	D155-S157 PolarHBondContact O-N 3Å; D155-S157 WeakPolarHBondContact OD1-CA 3.36Å; D155-S157 WeakPolarHBondContact OD1-CB 3.21Å; D155-S157 PolarHBondContact OD1-N 2.65Å; D155-S157 PolarHBondContact OD1-OG 2.82Å
158	T	83.6	Confident	83.7	Confident	73 Å²	73	68.2 Å²	68.2	45%	0.448	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-82.9	127.1	170.4	-61.9	0	0	0	0	108.4	I141 R160 L162 E163	I141-T158 HydrophobicContact CG2-CG2 4.3Å; T158-R160 PolarHBondContact O-N 2.7Å; T158-L162 HydrophobicContact CG2-CB 4.28Å; T158-E163 HydrophobicContact CG2-CG 4.48Å
159	P	87.4	Confident	83.8	Confident	19 Å²	19	65.3 Å²	65.3	12%	0.123	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-54.4	129	172.7	-25.9	33.5	0	0	0	110.7	E161 L162	P159-E161 PolarHBondContact O-N 3.43Å; P159-E161 VanDerWaalsContact O-N 3.09Å; P159-L162 HydrophobicContact CB-CD1 4.27Å; P159-L162 HydrophobicContact CB-CG 4.23Å; P159-L162 HydrophobicContact CG-CD1 4.15Å; P159-L162 WeakPolarHBondContact O-CB 3.38Å; P159-L162 PolarHBondContact O-N 3.48Å
160	R	90.8	Very high	83.9	Confident	179 Å²	179	64.4 Å²	64.4	68%	0.675	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-57.5	-30.7	-175.3	-179.5	173.8	177.5	-168.1	0.5	111.9	T158 L162 E163 T166	T158-R160 PolarHBondContact O-N 2.7Å; R160-L162 PolarHBondContact O-N 2.6Å; R160-E163 PolarHBondContact O-N 2.68Å; R160-E163 VanDerWaalsContact O-N 3.08Å; R160-T166 HydrophobicContact CG-CG2 4.49Å; R160-T166 VanDerWaalsContact CG-OG1 3.22Å; R160-T166 WeakPolarHBondContact CG-OG1 3.22Å; R160-T166 WeakPolarHBondContact O-CB 3.39Å; R160-T166 PolarHBondContact O-OG1 3.04Å
161	E	90	Very high	84.4	Confident	92 Å²	92	69.8 Å²	69.8	43%	0.43	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-65.2	-12.4	177.1	-56.8	87.2	166.3	0	0	113.8	S133 P159 Y167	S133-E161 WeakPolarHBondContact CB-O 3.47Å; P159-E161 PolarHBondContact O-N 3.43Å; P159-E161 VanDerWaalsContact O-N 3.09Å; E161-Y167 WeakPolarHBondContact O-CE2 3.4Å; E161-Y167 PolarHBondContact O-OH 3.31Å
162	L	91.5	Very high	85.1	Confident	7 Å²	7	75.5 Å²	75.5	4%	0.037	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-98.4	-7.9	175.2	-55.6	-178.8	0	0	0	112.7	S133 Y134 K137 I141 T158 P159 R160	S133-L162 WeakPolarHBondContact O-CD2 3.26Å; Y134-L162 HydrophobicContact CD1-CD2 4.06Å; Y134-L162 HydrophobicContact CD2-CD2 4.21Å; Y134-L162 HydrophobicContact CE1-CD2 4.28Å; Y134-L162 HydrophobicContact CE2-CD2 4.47Å; Y134-L162 HydrophobicContact CG-CD2 4.01Å; Y134-L162 PolarHBondContact OH-O 3.37Å; K137-L162 HydrophobicContact CB-CD1 4.35Å; K137-L162 HydrophobicContact CB-CD2 4.29Å; K137-L162 HydrophobicContact CB-CG 4.46Å; I141-L162 HydrophobicContact CD1-CD1 3.54Å; I141-L162 HydrophobicContact CG1-CD1 3.74Å; I141-L162 HydrophobicContact CG2-CD1 4.29Å; T158-L162 HydrophobicContact CG2-CB 4.28Å; P159-L162 HydrophobicContact CB-CD1 4.27Å; P159-L162 HydrophobicContact CB-CG 4.23Å; P159-L162 HydrophobicContact CG-CD1 4.15Å; P159-L162 WeakPolarHBondContact O-CB 3.38Å; P159-L162 PolarHBondContact O-N 3.48Å; R160-L162 PolarHBondContact O-N 2.6Å
163	E	90.7	Very high	86.1	Confident	88 Å²	88	76 Å²	76	41%	0.411	40%	0.399	S	S	.	.	S	Bend	trans	-82.9	135.2	176	-61.5	-171	164.1	0	0	111.6	T158 R160 T165 T166	T158-E163 HydrophobicContact CG2-CG 4.48Å; R160-E163 PolarHBondContact O-N 2.68Å; R160-E163 VanDerWaalsContact O-N 3.08Å; E163-T165 PolarHBondContact O-N 3.41Å; E163-T165 PolarHBondContact OE2-OG1 3.31Å; E163-T166 WeakPolarHBondContact O-CB 3.23Å; E163-T166 PolarHBondContact O-N 2.96Å
164	L	90.9	Very high	87.1	Confident	37 Å²	37	75.4 Å²	75.4	19%	0.194	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-59.3	-35.2	178.6	-77.9	178.4	0	0	0	113.3	L130 T166 Y167 F169 L174 L195 L199	L130-L164 HydrophobicContact CD2-CD2 3.98Å; L164-T166 PolarHBondContact O-N 3.3Å; L164-Y167 PolarHBondContact O-N 3.41Å; L164-F169 CarbonylContact C-O 3.52Å; L164-F169 HydrophobicContact CB-CB 4.22Å; L164-F169 HydrophobicContact CD2-CB 4.06Å; L164-F169 PolarHBondContact O-N 3.41Å; L164-F169 VanDerWaalsContact O-N 3.13Å; L164-L174 HydrophobicContact CD1-CD2 4.32Å; L164-L195 HydrophobicContact CD2-CD2 4.35Å; L164-L199 HydrophobicContact CD1-CD1 3.9Å; L164-L199 HydrophobicContact CD2-CD1 3.9Å; L164-L199 HydrophobicContact CD2-CD2 4.13Å; L164-L199 HydrophobicContact CD2-CG 4.49Å; L164-L199 HydrophobicContact CG-CD1 4.22Å
165	T	91.5	Very high	88.2	Confident	94 Å²	94	78.7 Å²	78.7	58%	0.577	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-60.1	-30.3	-179.7	48.7	0	0	0	0	112.3	E163 Y167 N168	E163-T165 PolarHBondContact O-N 3.41Å; E163-T165 PolarHBondContact OE2-OG1 3.31Å; T165-Y167 PolarHBondContact O-N 3.18Å; T165-N168 PolarHBondContact O-N 2.94Å
166	T	91.4	Very high	89.3	Confident	48 Å²	48	79 Å²	79	29%	0.294	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-62	-26.1	176.1	-62.2	0	0	0	0	112.5	R160 E163 L164	R160-T166 HydrophobicContact CG-CG2 4.49Å; R160-T166 VanDerWaalsContact CG-OG1 3.22Å; R160-T166 WeakPolarHBondContact CG-OG1 3.22Å; R160-T166 WeakPolarHBondContact O-CB 3.39Å; R160-T166 PolarHBondContact O-OG1 3.04Å; E163-T166 WeakPolarHBondContact O-CB 3.23Å; E163-T166 PolarHBondContact O-N 2.96Å; L164-T166 PolarHBondContact O-N 3.3Å
167	Y	92.1	Very high	90.3	Very high	12 Å²	12	78.5 Å²	78.5	5%	0.047	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-108.5	16.8	-178.6	-55.9	-78.6	0	0	0	113.3	N126 Q129 L130 S133 E161 L164 T165 F169	N126-Y167 HydrophobicContact CB-CD1 4.42Å; N126-Y167 PolarHBondContact ND2-O 3.16Å; Q129-Y167 HydrophobicContact CB-CD1 4.2Å; Q129-Y167 HydrophobicContact CB-CE1 3.61Å; L130-Y167 HydrophobicContact CB-CD2 4.21Å; L130-Y167 HydrophobicContact CB-CE2 4.09Å; L130-Y167 HydrophobicContact CD1-CD2 3.73Å; L130-Y167 HydrophobicContact CD1-CE2 3.46Å; L130-Y167 VanDerWaalsContact CD1-CE2 3.46Å; L130-Y167 HydrophobicContact CG-CD2 4.49Å; L130-Y167 HydrophobicContact CG-CE2 4.38Å; S133-Y167 WeakPolarHBondContact CB-OH 3.3Å; S133-Y167 PolarHBondContact OG-OH 3.02Å; E161-Y167 WeakPolarHBondContact O-CE2 3.4Å; E161-Y167 PolarHBondContact O-OH 3.31Å; L164-Y167 PolarHBondContact O-N 3.41Å; T165-Y167 PolarHBondContact O-N 3.18Å; Y167-F169 PolarHBondContact O-N 3.42Å
168	N	89.9	Confident	91	Very high	138 Å²	138	75.3 Å²	75.3	74%	0.738	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	24.7	-175.8	-56.3	-44.5	0	0	0	114.4	T165	T165-N168 PolarHBondContact O-N 2.94Å
169	F	92.7	Very high	91.5	Very high	6 Å²	6	76.5 Å²	76.5	3%	0.026	38%	0.377	C	S	.	.			trans	-96.3	150.8	171.5	-67.6	-54.4	0	0	0	111.3	D123 N126 V127 L164 Y167 D173 F178 L195	D123-F169 HydrophobicContact CB-CE1 3.98Å; D123-F169 HydrophobicContact CB-CZ 3.9Å; D123-F169 WeakPolarHBondContact O-CZ 3.49Å; N126-F169 HydrophobicContact CB-CE2 3.73Å; N126-F169 HydrophobicContact CB-CZ 4.02Å; V127-F169 HydrophobicContact CG2-CE2 3.72Å; V127-F169 HydrophobicContact CG2-CZ 3.74Å; L164-F169 CarbonylContact C-O 3.52Å; L164-F169 HydrophobicContact CB-CB 4.22Å; L164-F169 HydrophobicContact CD2-CB 4.06Å; L164-F169 PolarHBondContact O-N 3.41Å; L164-F169 VanDerWaalsContact O-N 3.13Å; Y167-F169 PolarHBondContact O-N 3.42Å; F169-D173 HydrophobicContact CB-CB 4.47Å; F169-D173 HydrophobicContact CD1-CB 3.91Å; F169-F178 HydrophobicContact CE1-CE1 4.44Å; F169-F178 AromaticContact CE1-CZ 3.82Å; F169-F178 HydrophobicContact CE1-CZ 3.82Å; F169-F178 HydrophobicContact CZ-CE1 4.27Å; F169-F178 AromaticContact CZ-CZ 3.96Å; F169-F178 HydrophobicContact CZ-CZ 3.96Å; F169-L195 HydrophobicContact CB-CD2 4.14Å; F169-L195 HydrophobicContact CD1-CD2 4.18Å; F169-L195 HydrophobicContact CD2-CD2 4.28Å; F169-L195 HydrophobicContact CG-CD2 3.95Å
170	S	90.8	Very high	91.8	Very high	50 Å²	50	76.5 Å²	76.5	35%	0.35	38%	0.376	S	S	.	.			trans	-128.1	175.6	176.4	69.6	0	0	0	0	110.8	N172 D173	S170-N172 PolarHBondContact O-N 3.41Å; S170-N172 VanDerWaalsContact O-N 3.16Å; S170-N172 PolarHBondContact OG-N 2.88Å; S170-D173 PolarHBondContact N-OD2 2.8Å; S170-D173 WeakPolarHBondContact O-CB 3.36Å; S170-D173 PolarHBondContact O-N 3.44Å; S170-D173 PolarHBondContact OG-OD2 3.27Å
171	E	88.5	Confident	91.8	Very high	164 Å²	164	69 Å²	69	77%	0.766	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-59.3	-25.3	173.3	-68.4	-162.7	160.4	0	0	113.2	D173 L174	E171-D173 PolarHBondContact O-N 2.91Å; E171-L174 HydrophobicContact CB-CD1 4.12Å; E171-L174 HydrophobicContact CG-CD1 4.36Å; E171-L174 VanDerWaalsContact O-CB 3.32Å; E171-L174 WeakPolarHBondContact O-CB 3.43Å; E171-L174 WeakPolarHBondContact O-CD1 3.46Å; E171-L174 VanDerWaalsContact O-CG 3.24Å; E171-L174 WeakPolarHBondContact O-CG 3.27Å; E171-L174 PolarHBondContact O-N 2.58Å
172	N	89.4	Confident	91.6	Very high	148 Å²	148	70.7 Å²	70.7	79%	0.791	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-68.2	-22.1	177.6	-64	-36.6	0	0	0	112.5	S170 L174	S170-N172 PolarHBondContact O-N 3.41Å; S170-N172 VanDerWaalsContact O-N 3.16Å; S170-N172 PolarHBondContact OG-N 2.88Å; N172-L174 VanDerWaalsContact C-N 3.33Å
173	D	92.3	Very high	91.5	Very high	26 Å²	26	71.1 Å²	71.1	14%	0.139	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-84.9	-9	-179	-61	-73.4	0	0	0	112.9	F169 S170 E171 Q175 R176 L195	F169-D173 HydrophobicContact CB-CB 4.47Å; F169-D173 HydrophobicContact CD1-CB 3.91Å; S170-D173 PolarHBondContact N-OD2 2.8Å; S170-D173 WeakPolarHBondContact O-CB 3.36Å; S170-D173 PolarHBondContact O-N 3.44Å; S170-D173 PolarHBondContact OG-OD2 3.27Å; E171-D173 PolarHBondContact O-N 2.91Å; D173-Q175 PolarHBondContact O-N 2.9Å; D173-Q175 VanDerWaalsContact O-N 3.11Å; D173-R176 VanDerWaalsContact O-CB 3.27Å; D173-R176 WeakPolarHBondContact O-CB 3.34Å; D173-R176 WeakPolarHBondContact O-CG 3.48Å; D173-R176 PolarHBondContact O-N 3.18Å; D173-R176 WeakPolarHBondContact OD1-CD 3.43Å; D173-R176 IonicContact OD1-CZ 3.28Å; D173-R176 IonicContact OD1-NE 3.32Å; D173-R176 IonicContact OD1-NH1 2.66Å; D173-R176 PolarHBondContact OD1-NH1 2.59Å; D173-L195 HydrophobicContact CB-CD2 4Å
174	L	92.4	Very high	91.6	Very high	38 Å²	38	67.7 Å²	67.7	20%	0.199	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-30.9	-172.9	-74.3	175.7	0	0	0	113.9	L164 E171 N172 L195 K196 L199	L164-L174 HydrophobicContact CD1-CD2 4.32Å; E171-L174 HydrophobicContact CB-CD1 4.12Å; E171-L174 HydrophobicContact CG-CD1 4.36Å; E171-L174 VanDerWaalsContact O-CB 3.32Å; E171-L174 WeakPolarHBondContact O-CB 3.43Å; E171-L174 WeakPolarHBondContact O-CD1 3.46Å; E171-L174 VanDerWaalsContact O-CG 3.24Å; E171-L174 WeakPolarHBondContact O-CG 3.27Å; E171-L174 PolarHBondContact O-N 2.58Å; N172-L174 VanDerWaalsContact C-N 3.33Å; L174-L195 PolarHBondContact O-N 2.99Å; L174-K196 HydrophobicContact CB-CB 4.1Å; L174-K196 HydrophobicContact CD2-CB 4.34Å; L174-K196 VanDerWaalsContact O-CB 3.25Å; L174-K196 WeakPolarHBondContact O-CB 3.36Å; L174-K196 PolarHBondContact O-N 3.49Å; L174-L199 HydrophobicContact CD2-CD1 3.67Å
175	Q	94.7	Very high	91.7	Very high	133 Å²	133	69.8 Å²	69.8	62%	0.621	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.4	179.9	-58.7	-58.5	-27.2	0	0	113.4	D173	D173-Q175 PolarHBondContact O-N 2.9Å; D173-Q175 VanDerWaalsContact O-N 3.11Å
176	R	94.1	Very high	91.8	Very high	88 Å²	88	65.3 Å²	65.3	33%	0.332	34%	0.34	S	S	.	.			trans	-71.6	138.2	177.6	-63.7	172.3	60.4	-169.7	-3.8	109.7	D123 D173 F178 T194 L195	D123-R176 IonicContact OD2-CZ 3.18Å; D123-R176 IonicContact OD2-NH1 2.8Å; D123-R176 PolarHBondContact OD2-NH1 2.81Å; D123-R176 VanDerWaalsContact OD2-NH1 3.1Å; D123-R176 IonicContact OD2-NH2 3.96Å; D123-R176 PolarHBondContact OD2-NH2 2.98Å; D173-R176 VanDerWaalsContact O-CB 3.27Å; D173-R176 WeakPolarHBondContact O-CB 3.34Å; D173-R176 WeakPolarHBondContact O-CG 3.48Å; D173-R176 PolarHBondContact O-N 3.18Å; D173-R176 WeakPolarHBondContact OD1-CD 3.43Å; D173-R176 IonicContact OD1-CZ 3.28Å; D173-R176 IonicContact OD1-NE 3.32Å; D173-R176 IonicContact OD1-NH1 2.66Å; D173-R176 PolarHBondContact OD1-NH1 2.59Å; R176-F178 HydrophobicContact CB-CE2 3.73Å; R176-F178 HydrophobicContact CB-CZ 4.13Å; R176-F178 WeakPolarHBondContact O-CD2 3.2Å; R176-T194 CarbonylContact O-C 3.33Å; R176-T194 VanDerWaalsContact O-CA 3.25Å; R176-T194 WeakPolarHBondContact O-CA 3.29Å; R176-L195 PolarHBondContact O-N 3.28Å
177	E	93.1	Very high	91.8	Very high	139 Å²	139	63.3 Å²	63.3	65%	0.65	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	140.9	177.6	-68.8	-174.4	161.1	0	0	111.1	V192 L193 T194	E177-V192 HydrophobicContact CB-CG1 3.81Å; E177-V192 HydrophobicContact CG-CG1 4.37Å; E177-L193 WeakPolarHBondContact CA-O 3.43Å; E177-T194 HydrophobicContact CG-CG2 3.94Å
178	F	93.9	Very high	91.7	Very high	3 Å²	3	65 Å²	65	1%	0.013	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.8	179.6	-67.7	-82.7	0	0	0	110.1	D123 V127 F169 R176 L180 V192 L193 L195 I198	D123-F178 HydrophobicContact CB-CE1 3.8Å; D123-F178 HydrophobicContact CB-CZ 4.38Å; V127-F178 HydrophobicContact CB-CD1 4.42Å; V127-F178 HydrophobicContact CB-CG 4.46Å; V127-F178 HydrophobicContact CG1-CB 4.29Å; V127-F178 HydrophobicContact CG1-CG 4.49Å; V127-F178 HydrophobicContact CG2-CB 4.39Å; V127-F178 HydrophobicContact CG2-CD1 3.69Å; V127-F178 HydrophobicContact CG2-CD2 3.94Å; V127-F178 HydrophobicContact CG2-CE1 3.84Å; V127-F178 HydrophobicContact CG2-CE2 4.09Å; V127-F178 HydrophobicContact CG2-CG 3.73Å; V127-F178 HydrophobicContact CG2-CZ 4.03Å; F169-F178 HydrophobicContact CE1-CE1 4.44Å; F169-F178 AromaticContact CE1-CZ 3.82Å; F169-F178 HydrophobicContact CE1-CZ 3.82Å; F169-F178 HydrophobicContact CZ-CE1 4.27Å; F169-F178 AromaticContact CZ-CZ 3.96Å; F169-F178 HydrophobicContact CZ-CZ 3.96Å; R176-F178 HydrophobicContact CB-CE2 3.73Å; R176-F178 HydrophobicContact CB-CZ 4.13Å; R176-F178 WeakPolarHBondContact O-CD2 3.2Å; F178-L180 PolarHBondContact O-N 2.63Å; F178-V192 WeakPolarHBondContact O-CA 3.19Å; F178-L193 PolarHBondContact N-O 3.35Å; F178-L193 PolarHBondContact O-N 3.37Å; F178-L193 VanDerWaalsContact O-N 3.16Å; F178-L195 HydrophobicContact CD2-CB 4.05Å; F178-L195 HydrophobicContact CE2-CB 3.85Å; F178-L195 HydrophobicContact CE2-CD2 4.47Å; F178-I198 HydrophobicContact CB-CD1 4.14Å
179	L	93.3	Very high	91.6	Very high	97 Å²	97	68.2 Å²	68.2	51%	0.508	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	125.9	167.6	-176	71.9	0	0	0	108.8	H124 N191 V192	H124-L179 PolarHBondContact NE2-N 3.34Å; L179-N191 HydrophobicContact CD1-CB 4.18Å; L179-V192 HydrophobicContact CD1-CG2 3.97Å
180	L	93	Very high	91.6	Very high	19 Å²	19	72.9 Å²	72.9	10%	0.099	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-70.2	137.8	177.3	-66.7	-178.1	0	0	0	110.8	I131 F178 T184 I186 G187 N191 L193 I198	I131-L180 HydrophobicContact CD1-CD2 4.5Å; F178-L180 PolarHBondContact O-N 2.63Å; L180-T184 HydrophobicContact CB-CG2 3.92Å; L180-T184 HydrophobicContact CD1-CG2 4.26Å; L180-T184 HydrophobicContact CD2-CG2 4.14Å; L180-T184 HydrophobicContact CG-CG2 4.35Å; L180-I186 HydrophobicContact CD1-CG1 3.99Å; L180-I186 HydrophobicContact CD2-CD1 3.97Å; L180-I186 HydrophobicContact CD2-CG1 4.12Å; L180-G187 VanDerWaalsContact CD1-CA 3.43Å; L180-N191 WeakPolarHBondContact CB-O 3.49Å; L180-N191 PolarHBondContact N-O 3.25Å; L180-L193 HydrophobicContact CD1-CD1 3.91Å; L180-L193 HydrophobicContact CD1-CD2 4.18Å; L180-L193 HydrophobicContact CD1-CG 3.74Å; L180-L193 HydrophobicContact CD2-CD1 4.16Å; L180-L193 HydrophobicContact CD2-CG 4.02Å; L180-L193 HydrophobicContact CG-CD1 4.43Å; L180-L193 HydrophobicContact CG-CG 3.99Å; L180-I198 HydrophobicContact CD2-CD1 3.83Å; L180-I198 HydrophobicContact CD2-CG1 3.94Å
181	P	90.8	Very high	91.6	Very high	22 Å²	22	75.7 Å²	75.7	14%	0.143	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-67.6	149.5	173.7	29.5	-34.8	0	0	0	110.2	Q128 I131 S183 T184	Q128-P181 HydrophobicContact CB-CB 4.49Å; Q128-P181 HydrophobicContact CB-CG 4.38Å; Q128-P181 HydrophobicContact CG-CB 4.03Å; Q128-P181 HydrophobicContact CG-CG 4.12Å; I131-P181 HydrophobicContact CD1-CG 3.85Å; P181-S183 PolarHBondContact O-N 2.75Å; P181-T184 HydrophobicContact CG-CG2 4.01Å; P181-T184 WeakPolarHBondContact O-CG2 3.42Å; P181-T184 PolarHBondContact O-N 2.98Å
182	S	86.8	Confident	91.9	Very high	128 Å²	128	70.4 Å²	70.4	90%	0.895	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-14.6	176.2	63.6	0	0	0	0	113.6	T184	S182-T184 VanDerWaalsContact C-N 3.34Å
183	S	88.8	Confident	92.1	Very high	16 Å²	16	63.5 Å²	63.5	11%	0.112	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-43.3	170.1	50.3	0	0	0	0	109.5	P181 R227	P181-S183 PolarHBondContact O-N 2.75Å; S183-R227 VanDerWaalsContact C-NH1 3.27Å; S183-R227 PolarHBondContact O-NH1 3.41Å; S183-R227 PolarHBondContact O-NH2 2.97Å
184	T	92.5	Very high	92.3	Very high	15 Å²	15	63.4 Å²	63.4	9%	0.092	33%	0.331	C	S	.	.			trans	-94.5	145.9	-166.6	-169.1	0	0	0	0	117	I131 L180 P181 S182 I186 E231	I131-T184 HydrophobicContact CD1-CG2 4.21Å; L180-T184 HydrophobicContact CB-CG2 3.92Å; L180-T184 HydrophobicContact CD1-CG2 4.26Å; L180-T184 HydrophobicContact CD2-CG2 4.14Å; L180-T184 HydrophobicContact CG-CG2 4.35Å; P181-T184 HydrophobicContact CG-CG2 4.01Å; P181-T184 WeakPolarHBondContact O-CG2 3.42Å; P181-T184 PolarHBondContact O-N 2.98Å; S182-T184 VanDerWaalsContact C-N 3.34Å; T184-I186 HydrophobicContact CG2-CD1 4.35Å; T184-I186 HydrophobicContact CG2-CG1 3.94Å; T184-I186 WeakPolarHBondContact OG1-CG1 3.26Å; T184-I186 WeakPolarHBondContact OG1-CG2 3.19Å; T184-I186 PolarHBondContact OG1-N 2.93Å; T184-E231 VanDerWaalsContact CA-OE2 3.26Å; T184-E231 WeakPolarHBondContact CA-OE2 3.49Å; T184-E231 WeakPolarHBondContact CB-OE2 3.46Å; T184-E231 PolarHBondContact OG1-OE2 3.45Å
185	Y	94	Very high	92.5	Very high	82 Å²	82	61.6 Å²	61.6	32%	0.322	32%	0.321	S	S	.	.			trans	-103.8	1.8	172.9	-57.3	-86.1	0	0	0	113.1	G187 G188 E224 R227 M228 E231	Y185-G187 PolarHBondContact O-N 2.73Å; Y185-G188 PolarHBondContact O-N 3.26Å; Y185-E224 WeakPolarHBondContact CE2-OE2 3.39Å; Y185-R227 HydrophobicContact CD2-CB 4.09Å; Y185-R227 HydrophobicContact CE2-CB 4.24Å; Y185-M228 HydrophobicContact CD1-CG 4.47Å; Y185-M228 HydrophobicContact CD2-CB 4.18Å; Y185-M228 HydrophobicContact CE1-CG 4.5Å; Y185-M228 HydrophobicContact CE2-CB 4.1Å; Y185-M228 HydrophobicContact CG-CB 4.43Å; Y185-E231 PolarHBondContact N-OE2 3.05Å
186	I	94.2	Very high	92.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.9	-179.2	66.3	179.7	0	0	0	112.9	L180 T184 L193 I198 R201 L202 I205 E231	L180-I186 HydrophobicContact CD1-CG1 3.99Å; L180-I186 HydrophobicContact CD2-CD1 3.97Å; L180-I186 HydrophobicContact CD2-CG1 4.12Å; T184-I186 HydrophobicContact CG2-CD1 4.35Å; T184-I186 HydrophobicContact CG2-CG1 3.94Å; T184-I186 WeakPolarHBondContact OG1-CG1 3.26Å; T184-I186 WeakPolarHBondContact OG1-CG2 3.19Å; T184-I186 PolarHBondContact OG1-N 2.93Å; I186-L193 HydrophobicContact CD1-CD1 4.36Å; I186-L193 HydrophobicContact CG1-CD1 4.19Å; I186-I198 HydrophobicContact CD1-CB 4.38Å; I186-I198 HydrophobicContact CD1-CG1 4.32Å; I186-I198 HydrophobicContact CD1-CG2 3.92Å; I186-R201 HydrophobicContact CB-CB 4.35Å; I186-R201 WeakPolarHBondContact O-CD 3.36Å; I186-R201 PolarHBondContact O-NH1 2.97Å; I186-L202 HydrophobicContact CD1-CD2 4.42Å; I186-L202 HydrophobicContact CD1-CG 4.39Å; I186-L202 HydrophobicContact CG2-CD2 4.13Å; I186-I205 HydrophobicContact CG2-CD1 3.67Å; I186-E231 WeakPolarHBondContact CA-O 3.46Å; I186-E231 HydrophobicContact CG2-CB 3.92Å; I186-E231 HydrophobicContact CG2-CG 4.04Å
187	G	91.1	Very high	92.6	Very high	5 Å²	5	58.6 Å²	58.6	5%	0.052	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-22	179	0	0	0	0	0	114.6	L180 Y185 E189 R190	L180-G187 VanDerWaalsContact CD1-CA 3.43Å; Y185-G187 PolarHBondContact O-N 2.73Å; G187-E189 PolarHBondContact O-N 3.23Å; G187-R190 CarbonylContact C-O 3.45Å; G187-R190 VanDerWaalsContact CA-O 3.23Å; G187-R190 WeakPolarHBondContact CA-O 3.34Å; G187-R190 PolarHBondContact O-N 3.42Å
188	G	89.6	Confident	92.7	Very high	47 Å²	47	52 Å²	52	49%	0.485	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	-119.6	-164.1	0	0	0	0	0	110	Y185 R190	Y185-G188 PolarHBondContact O-N 3.26Å; G188-R190 VanDerWaalsContact C-N 3.3Å; G188-R190 PolarHBondContact O-N 3.45Å
189	E	87.5	Confident	92.7	Very high	206 Å²	206	52.5 Å²	52.5	96%	0.963	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-15.5	176.6	-61.3	-178.6	175	0	0	113.5	G187	G187-E189 PolarHBondContact O-N 3.23Å
190	R	92.1	Very high	92.8	Very high	105 Å²	105	53.6 Å²	53.6	40%	0.396	28%	0.284	S	S	.	.			trans	-90	130.7	-179.5	-53.7	-168.6	-39.6	-171.2	8.2	110.6	G187 G188 L193 E197 R201	G187-R190 CarbonylContact C-O 3.45Å; G187-R190 VanDerWaalsContact CA-O 3.23Å; G187-R190 WeakPolarHBondContact CA-O 3.34Å; G187-R190 PolarHBondContact O-N 3.42Å; G188-R190 VanDerWaalsContact C-N 3.3Å; G188-R190 PolarHBondContact O-N 3.45Å; R190-L193 HydrophobicContact CB-CD2 3.79Å; R190-L193 VanDerWaalsContact NE-CD2 3.28Å; R190-E197 IonicContact CZ-OE1 3.73Å; R190-E197 IonicContact CZ-OE2 3.1Å; R190-E197 IonicContact NH1-OE1 3.5Å; R190-E197 PolarHBondContact NH1-OE1 2.82Å; R190-E197 IonicContact NH1-OE2 3.56Å; R190-E197 PolarHBondContact NH1-OE2 2.89Å; R190-E197 IonicContact NH2-OE1 2.84Å; R190-E197 PolarHBondContact NH2-OE1 3.29Å; R190-E197 IonicContact NH2-OE2 3.85Å; R190-E197 PolarHBondContact NH2-OE2 2.99Å; R190-R201 VanDerWaalsContact NH2-NH2 3.19Å
191	N	91.3	Very high	92.8	Very high	108 Å²	108	55.3 Å²	55.3	58%	0.578	29%	0.289	S	S	*	.	S	Bend	trans	-94.5	-11.5	175.1	60.6	-12.8	0	0	0	113.7	L179 L180	L179-N191 HydrophobicContact CD1-CB 4.18Å; L180-N191 WeakPolarHBondContact CB-O 3.49Å; L180-N191 PolarHBondContact N-O 3.25Å
192	V	94.5	Very high	93	Very high	54 Å²	54	54.2 Å²	54.2	33%	0.327	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.9	179.1	179.2	0	0	0	0	109.4	E177 F178 L179	E177-V192 HydrophobicContact CB-CG1 3.81Å; E177-V192 HydrophobicContact CG-CG1 4.37Å; F178-V192 WeakPolarHBondContact O-CA 3.19Å; L179-V192 HydrophobicContact CD1-CG2 3.97Å
193	L	95.1	Very high	93.3	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	159.1	174.3	-40.9	-171.9	0	0	0	110.7	E177 F178 L180 I186 R190 I198	E177-L193 WeakPolarHBondContact CA-O 3.43Å; F178-L193 PolarHBondContact N-O 3.35Å; F178-L193 PolarHBondContact O-N 3.37Å; F178-L193 VanDerWaalsContact O-N 3.16Å; L180-L193 HydrophobicContact CD1-CD1 3.91Å; L180-L193 HydrophobicContact CD1-CD2 4.18Å; L180-L193 HydrophobicContact CD1-CG 3.74Å; L180-L193 HydrophobicContact CD2-CD1 4.16Å; L180-L193 HydrophobicContact CD2-CG 4.02Å; L180-L193 HydrophobicContact CG-CD1 4.43Å; L180-L193 HydrophobicContact CG-CG 3.99Å; I186-L193 HydrophobicContact CD1-CD1 4.36Å; I186-L193 HydrophobicContact CG1-CD1 4.19Å; R190-L193 HydrophobicContact CB-CD2 3.79Å; R190-L193 VanDerWaalsContact NE-CD2 3.28Å; L193-I198 HydrophobicContact CB-CD1 4.36Å; L193-I198 HydrophobicContact CB-CG1 3.81Å; L193-I198 HydrophobicContact CD1-CG1 4.11Å; L193-I198 HydrophobicContact CG-CG1 4.38Å
194	T	96.3	Very high	93.4	Very high	25 Å²	25	55.6 Å²	55.6	15%	0.153	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	151.1	167.9	60.4	0	0	0	0	111.2	R176 E177 K196 E197 I198	R176-T194 CarbonylContact O-C 3.33Å; R176-T194 VanDerWaalsContact O-CA 3.25Å; R176-T194 WeakPolarHBondContact O-CA 3.29Å; E177-T194 HydrophobicContact CG-CG2 3.94Å; T194-K196 PolarHBondContact O-N 3.18Å; T194-E197 PolarHBondContact O-N 2.94Å; T194-E197 WeakPolarHBondContact OG1-CB 3.28Å; T194-E197 PolarHBondContact OG1-N 3.44Å; T194-I198 WeakPolarHBondContact O-CG1 3.45Å; T194-I198 PolarHBondContact O-N 3.4Å
195	L	95.3	Very high	93.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-55.5	-37.9	175.8	-179	61.2	0	0	0	112.2	V127 L130 L164 F169 D173 L174 R176 F178 E197 I198 L199	V127-L195 HydrophobicContact CG2-CD1 4.21Å; L130-L195 HydrophobicContact CD2-CD1 3.99Å; L164-L195 HydrophobicContact CD2-CD2 4.35Å; F169-L195 HydrophobicContact CB-CD2 4.14Å; F169-L195 HydrophobicContact CD1-CD2 4.18Å; F169-L195 HydrophobicContact CD2-CD2 4.28Å; F169-L195 HydrophobicContact CG-CD2 3.95Å; D173-L195 HydrophobicContact CB-CD2 4Å; L174-L195 PolarHBondContact O-N 2.99Å; R176-L195 PolarHBondContact O-N 3.28Å; F178-L195 HydrophobicContact CD2-CB 4.05Å; F178-L195 HydrophobicContact CE2-CB 3.85Å; F178-L195 HydrophobicContact CE2-CD2 4.47Å; L195-E197 VanDerWaalsContact C-N 3.32Å; L195-E197 PolarHBondContact O-N 3.07Å; L195-I198 PolarHBondContact O-N 3.13Å; L195-L199 HydrophobicContact CD1-CG 4.41Å; L195-L199 HydrophobicContact CG-CD1 4.3Å; L195-L199 WeakPolarHBondContact O-CB 3.29Å; L195-L199 WeakPolarHBondContact O-CG 3.49Å; L195-L199 PolarHBondContact O-N 3.42Å
196	K	95.9	Very high	93.5	Very high	105 Å²	105	52 Å²	52	46%	0.457	26%	0.261	S	S	.	.	H	α-helix	trans	-55.8	-47.6	173.5	-174.3	175.8	178.5	178.7	0	111.7	L174 T194 Q200	L174-K196 HydrophobicContact CB-CB 4.1Å; L174-K196 HydrophobicContact CD2-CB 4.34Å; L174-K196 VanDerWaalsContact O-CB 3.25Å; L174-K196 WeakPolarHBondContact O-CB 3.36Å; L174-K196 PolarHBondContact O-N 3.49Å; T194-K196 PolarHBondContact O-N 3.18Å; K196-Q200 WeakPolarHBondContact O-CB 3.42Å; K196-Q200 PolarHBondContact O-N 3.22Å
197	E	95.3	Very high	93.4	Very high	52 Å²	52	52.7 Å²	52.7	24%	0.243	27%	0.265	C	S	.	.	H	α-helix	trans	-73.8	-35.2	-177.1	-165.2	169.4	178.9	0	0	112	R190 T194 L195 Q200 R201	R190-E197 IonicContact CZ-OE1 3.73Å; R190-E197 IonicContact CZ-OE2 3.1Å; R190-E197 IonicContact NH1-OE1 3.5Å; R190-E197 PolarHBondContact NH1-OE1 2.82Å; R190-E197 IonicContact NH1-OE2 3.56Å; R190-E197 PolarHBondContact NH1-OE2 2.89Å; R190-E197 IonicContact NH2-OE1 2.84Å; R190-E197 PolarHBondContact NH2-OE1 3.29Å; R190-E197 IonicContact NH2-OE2 3.85Å; R190-E197 PolarHBondContact NH2-OE2 2.99Å; T194-E197 PolarHBondContact O-N 2.94Å; T194-E197 WeakPolarHBondContact OG1-CB 3.28Å; T194-E197 PolarHBondContact OG1-N 3.44Å; L195-E197 VanDerWaalsContact C-N 3.32Å; L195-E197 PolarHBondContact O-N 3.07Å; E197-Q200 PolarHBondContact O-N 3.01Å; E197-R201 HydrophobicContact CG-CG 4.49Å; E197-R201 WeakPolarHBondContact O-CB 3.39Å; E197-R201 VanDerWaalsContact O-CG 3.3Å; E197-R201 WeakPolarHBondContact O-CG 3.31Å; E197-R201 PolarHBondContact O-N 2.79Å; E197-R201 IonicContact OE1-CZ 2.82Å; E197-R201 IonicContact OE1-NE 3.43Å; E197-R201 PolarHBondContact OE1-NE 2.92Å; E197-R201 IonicContact OE1-NH2 2.7Å; E197-R201 PolarHBondContact OE1-NH2 3.25Å
198	I	95.4	Very high	93.5	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-56.8	-54.9	171	-66.6	172.1	0	0	0	109.7	V127 I131 F178 L180 I186 L193 T194 L195 Q200 R201 L202	V127-I198 HydrophobicContact CG1-CD1 3.86Å; I131-I198 HydrophobicContact CD1-CG2 4.35Å; I131-I198 HydrophobicContact CG1-CG2 4.05Å; F178-I198 HydrophobicContact CB-CD1 4.14Å; L180-I198 HydrophobicContact CD2-CD1 3.83Å; L180-I198 HydrophobicContact CD2-CG1 3.94Å; I186-I198 HydrophobicContact CD1-CB 4.38Å; I186-I198 HydrophobicContact CD1-CG1 4.32Å; I186-I198 HydrophobicContact CD1-CG2 3.92Å; L193-I198 HydrophobicContact CB-CD1 4.36Å; L193-I198 HydrophobicContact CB-CG1 3.81Å; L193-I198 HydrophobicContact CD1-CG1 4.11Å; L193-I198 HydrophobicContact CG-CG1 4.38Å; T194-I198 WeakPolarHBondContact O-CG1 3.45Å; T194-I198 PolarHBondContact O-N 3.4Å; L195-I198 PolarHBondContact O-N 3.13Å; I198-Q200 VanDerWaalsContact C-N 3.34Å; I198-Q200 PolarHBondContact O-N 2.95Å; I198-R201 PolarHBondContact O-N 3.41Å; I198-L202 HydrophobicContact CG2-CD1 3.69Å; I198-L202 HydrophobicContact CG2-CG 4.32Å; I198-L202 WeakPolarHBondContact O-CB 3.43Å; I198-L202 VanDerWaalsContact O-CG 3.27Å; I198-L202 WeakPolarHBondContact O-CG 3.34Å; I198-L202 PolarHBondContact O-N 3.38Å
199	L	94.3	Very high	93.8	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-58.6	-45	179	-74.1	170.8	0	0	0	112.2	L130 Y134 L164 L174 L195 L202 K203	L130-L199 HydrophobicContact CD2-CD2 3.94Å; Y134-L199 HydrophobicContact CE2-CD2 3.79Å; L164-L199 HydrophobicContact CD1-CD1 3.9Å; L164-L199 HydrophobicContact CD2-CD1 3.9Å; L164-L199 HydrophobicContact CD2-CD2 4.13Å; L164-L199 HydrophobicContact CD2-CG 4.49Å; L164-L199 HydrophobicContact CG-CD1 4.22Å; L174-L199 HydrophobicContact CD2-CD1 3.67Å; L195-L199 HydrophobicContact CD1-CG 4.41Å; L195-L199 HydrophobicContact CG-CD1 4.3Å; L195-L199 WeakPolarHBondContact O-CB 3.29Å; L195-L199 WeakPolarHBondContact O-CG 3.49Å; L195-L199 PolarHBondContact O-N 3.42Å; L199-L202 PolarHBondContact O-N 3.43Å; L199-K203 WeakPolarHBondContact O-CB 3.2Å; L199-K203 VanDerWaalsContact O-CG 3.29Å; L199-K203 WeakPolarHBondContact O-CG 3.23Å; L199-K203 PolarHBondContact O-N 3.18Å
200	Q	94.5	Very high	94.2	Very high	120 Å²	120	45.8 Å²	45.8	56%	0.561	22%	0.221	S	C	*	.	H	α-helix	trans	-61.8	-46.3	-179.6	-174.5	169.1	0.5	0	0	111.1	K196 E197 I198 K203 T204	K196-Q200 WeakPolarHBondContact O-CB 3.42Å; K196-Q200 PolarHBondContact O-N 3.22Å; E197-Q200 PolarHBondContact O-N 3.01Å; I198-Q200 VanDerWaalsContact C-N 3.34Å; I198-Q200 PolarHBondContact O-N 2.95Å; Q200-K203 PolarHBondContact O-N 2.98Å; Q200-T204 WeakPolarHBondContact O-CB 3.11Å; Q200-T204 PolarHBondContact O-N 3.41Å; Q200-T204 PolarHBondContact O-OG1 3.09Å
201	R	94.3	Very high	94.4	Very high	54 Å²	54	40.8 Å²	40.8	20%	0.204	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-47.4	177.4	-68.7	-177.3	-170.8	-151.7	-0.4	111.4	I186 R190 E197 I198 K203 T204 I205	I186-R201 HydrophobicContact CB-CB 4.35Å; I186-R201 WeakPolarHBondContact O-CD 3.36Å; I186-R201 PolarHBondContact O-NH1 2.97Å; R190-R201 VanDerWaalsContact NH2-NH2 3.19Å; E197-R201 HydrophobicContact CG-CG 4.49Å; E197-R201 WeakPolarHBondContact O-CB 3.39Å; E197-R201 VanDerWaalsContact O-CG 3.3Å; E197-R201 WeakPolarHBondContact O-CG 3.31Å; E197-R201 PolarHBondContact O-N 2.79Å; E197-R201 IonicContact OE1-CZ 2.82Å; E197-R201 IonicContact OE1-NE 3.43Å; E197-R201 PolarHBondContact OE1-NE 2.92Å; E197-R201 IonicContact OE1-NH2 2.7Å; E197-R201 PolarHBondContact OE1-NH2 3.25Å; I198-R201 PolarHBondContact O-N 3.41Å; R201-K203 VanDerWaalsContact C-N 3.34Å; R201-K203 PolarHBondContact O-N 3.47Å; R201-T204 PolarHBondContact O-N 3.23Å; R201-I205 VanDerWaalsContact O-CD1 3.28Å; R201-I205 WeakPolarHBondContact O-CD1 3.28Å; R201-I205 VanDerWaalsContact O-CG1 3.23Å; R201-I205 WeakPolarHBondContact O-CG1 3.39Å; R201-I205 PolarHBondContact O-N 3.44Å
202	L	94.3	Very high	94.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.3	-44.5	177.4	-70.1	171.6	0	0	0	112	I131 Y134 I186 I198 L199 I205 Y206	I131-L202 HydrophobicContact CB-CD1 4.48Å; I131-L202 HydrophobicContact CG1-CD1 3.94Å; I131-L202 HydrophobicContact CG2-CD2 4.34Å; Y134-L202 HydrophobicContact CD1-CB 4.12Å; Y134-L202 HydrophobicContact CD2-CB 4.26Å; Y134-L202 HydrophobicContact CD2-CD1 3.67Å; Y134-L202 HydrophobicContact CE2-CD1 4.36Å; Y134-L202 HydrophobicContact CG-CB 3.91Å; Y134-L202 HydrophobicContact CG-CD1 4Å; Y134-L202 HydrophobicContact CG-CG 4.44Å; I186-L202 HydrophobicContact CD1-CD2 4.42Å; I186-L202 HydrophobicContact CD1-CG 4.39Å; I186-L202 HydrophobicContact CG2-CD2 4.13Å; I198-L202 HydrophobicContact CG2-CD1 3.69Å; I198-L202 HydrophobicContact CG2-CG 4.32Å; I198-L202 WeakPolarHBondContact O-CB 3.43Å; I198-L202 VanDerWaalsContact O-CG 3.27Å; I198-L202 WeakPolarHBondContact O-CG 3.34Å; I198-L202 PolarHBondContact O-N 3.38Å; L199-L202 PolarHBondContact O-N 3.43Å; L202-I205 PolarHBondContact O-N 3.04Å; L202-Y206 HydrophobicContact CD2-CD2 4.18Å; L202-Y206 HydrophobicContact CD2-CE2 4.06Å; L202-Y206 PolarHBondContact O-N 3.38Å
203	K	92.6	Very high	94.6	Very high	108 Å²	108	33.7 Å²	33.7	47%	0.47	16%	0.162	S	C	.	.	H	α-helix	trans	-63.2	-42.8	175.8	-75.2	-179.9	177.1	-171.7	0	111.9	Y134 L199 Q200 R201 I205 C207 N208	Y134-K203 HydrophobicContact CE1-CG 4.02Å; L199-K203 WeakPolarHBondContact O-CB 3.2Å; L199-K203 VanDerWaalsContact O-CG 3.29Å; L199-K203 WeakPolarHBondContact O-CG 3.23Å; L199-K203 PolarHBondContact O-N 3.18Å; Q200-K203 PolarHBondContact O-N 2.98Å; R201-K203 VanDerWaalsContact C-N 3.34Å; R201-K203 PolarHBondContact O-N 3.47Å; K203-I205 VanDerWaalsContact C-N 3.27Å; K203-I205 PolarHBondContact O-N 3.21Å; K203-C207 HydrophobicContact CB-CB 4.4Å; K203-C207 CarbonylContact O-C 3.5Å; K203-C207 WeakPolarHBondContact O-CA 3.18Å; K203-C207 WeakPolarHBondContact O-CB 3.32Å; K203-C207 PolarHBondContact O-N 3Å; K203-N208 PolarHBondContact O-N 2.87Å; K203-N208 VanDerWaalsContact O-N 3.09Å
204	T	92.3	Very high	94.7	Very high	65 Å²	65	33.7 Å²	33.7	40%	0.399	16%	0.162	S	C	.	.	H	α-helix	trans	-61	-36.4	176.3	-62.6	0	0	0	0	112.4	Q200 R201 N208	Q200-T204 WeakPolarHBondContact O-CB 3.11Å; Q200-T204 PolarHBondContact O-N 3.41Å; Q200-T204 PolarHBondContact O-OG1 3.09Å; R201-T204 PolarHBondContact O-N 3.23Å; T204-N208 WeakPolarHBondContact O-CB 3.2Å
205	I	93	Very high	94.6	Very high	21 Å²	21	35.5 Å²	35.5	11%	0.108	17%	0.173	C	C	.	.	H	α-helix	trans	-82.2	-47.3	-176	-64.2	156.4	0	0	0	112.1	I186 R201 L202 K203 F230 E231	I186-I205 HydrophobicContact CG2-CD1 3.67Å; R201-I205 VanDerWaalsContact O-CD1 3.28Å; R201-I205 WeakPolarHBondContact O-CD1 3.28Å; R201-I205 VanDerWaalsContact O-CG1 3.23Å; R201-I205 WeakPolarHBondContact O-CG1 3.39Å; R201-I205 PolarHBondContact O-N 3.44Å; L202-I205 PolarHBondContact O-N 3.04Å; K203-I205 VanDerWaalsContact C-N 3.27Å; K203-I205 PolarHBondContact O-N 3.21Å; I205-F230 HydrophobicContact CG2-CB 4Å; I205-F230 WeakPolarHBondContact CG2-O 3.21Å; I205-E231 HydrophobicContact CD1-CB 4.25Å; I205-E231 HydrophobicContact CD1-CG 4.42Å
206	Y	94.1	Very high	94.5	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-109.8	-14.5	-167.7	-63.1	-65.7	0	0	0	114.8	Q135 G138 H139 L202 I210 V212 Y214 E231	Q135-Y206 HydrophobicContact CG-CE2 3.83Å; G138-Y206 CarbonylContact C-O 3.58Å; H139-Y206 PolarHBondContact N-O 2.92Å; L202-Y206 HydrophobicContact CD2-CD2 4.18Å; L202-Y206 HydrophobicContact CD2-CE2 4.06Å; L202-Y206 PolarHBondContact O-N 3.38Å; Y206-I210 CarbonylContact C-O 3.02Å; Y206-V212 HydrophobicContact CD1-CB 4.45Å; Y206-V212 HydrophobicContact CE1-CB 4.45Å; Y206-Y214 AromaticContact CE1-CE1 3.97Å; Y206-Y214 HydrophobicContact CE1-CE1 3.97Å; Y206-Y214 PolarHBondContact OH-OH 3.49Å; Y206-E231 HydrophobicContact CE2-CG 4.27Å; Y206-E231 WeakPolarHBondContact OH-CG 3.42Å; Y206-E231 PolarHBondContact OH-OE1 3.03Å
207	C	93	Very high	94.5	Very high	13 Å²	13	33.2 Å²	33.2	9%	0.088	16%	0.164	C	C	.	.	S	Bend	trans	-126	5.6	-171.8	-51.4	0	0	0	0	113.7	G138 I141 A142 E143 K203	G138-C207 PolarHBondContact O-SG 3.45Å; I141-C207 HydrophobicContact CD1-CB 4.35Å; I141-C207 HydrophobicContact CG1-CB 4.12Å; A142-C207 WeakPolarHBondContact CA-O 3.39Å; E143-C207 PolarHBondContact N-O 2.85Å; K203-C207 HydrophobicContact CB-CB 4.4Å; K203-C207 CarbonylContact O-C 3.5Å; K203-C207 WeakPolarHBondContact O-CA 3.18Å; K203-C207 WeakPolarHBondContact O-CB 3.32Å; K203-C207 PolarHBondContact O-N 3Å
208	N	92.6	Very high	94.3	Very high	54 Å²	54	35.6 Å²	35.6	29%	0.289	19%	0.192	S	C	.	.	S	Bend	trans	-94.7	-137.5	176.8	-163	13	0	0	0	109.1	E143 K203 T204 I210	E143-N208 PolarHBondContact N-O 3.39Å; K203-N208 PolarHBondContact O-N 2.87Å; K203-N208 VanDerWaalsContact O-N 3.09Å; T204-N208 WeakPolarHBondContact O-CB 3.2Å; N208-I210 PolarHBondContact O-N 2.96Å; N208-I210 VanDerWaalsContact O-N 3.11Å
209	H	95.4	Very high	94.3	Very high	51 Å²	51	38.8 Å²	38.8	24%	0.236	21%	0.21	C	C	.	.	S	Bend	trans	-72.7	4	178.7	-59.6	158.3	0	0	0	115.5	E143 V466 N467 D470 A473	E143-H209 PolarHBondContact O-CD2 3.33Å; H209-V466 WeakPolarHBondContact O-CA 3.46Å; H209-N467 HydrophobicContact CB-CB 3.93Å; H209-N467 PolarHBondContact O-N 3.39Å; H209-D470 HydrophobicContact CB-CB 3.95Å; H209-D470 IonicContact CE1-OD2 3.64Å; H209-D470 IonicContact CG-OD2 3.68Å; H209-D470 VanDerWaalsContact ND1-CB 3.33Å; H209-D470 WeakPolarHBondContact ND1-CB 3.4Å; H209-D470 IonicContact ND1-OD2 3.87Å; H209-D470 PolarHBondContact ND1-OD2 2.91Å; H209-A473 HydrophobicContact CB-CB 4.35Å
210	I	96.5	Very high	94.2	Very high	9 Å²	9	44.1 Å²	44.1	5%	0.046	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.1	175.8	-56.5	175.2	0	0	0	109.1	Y206 N208 V212 F230 M236 H465 V466 A473 V477	Y206-I210 CarbonylContact C-O 3.02Å; N208-I210 PolarHBondContact O-N 2.96Å; N208-I210 VanDerWaalsContact O-N 3.11Å; I210-V212 HydrophobicContact CG2-CG2 3.7Å; I210-F230 HydrophobicContact CG2-CD1 4.47Å; I210-F230 HydrophobicContact CG2-CE1 4.01Å; I210-M236 HydrophobicContact CD1-SD 3.65Å; I210-H465 CarbonylContact C-O 3.58Å; I210-H465 WeakPolarHBondContact CA-O 3.13Å; I210-V466 HydrophobicContact CG1-CG2 4.19Å; I210-A473 HydrophobicContact CD1-CB 3.92Å; I210-A473 HydrophobicContact CG1-CB 3.82Å; I210-V477 HydrophobicContact CD1-CG2 4.01Å; I210-V477 HydrophobicContact CG1-CG2 4.26Å; I210-V477 HydrophobicContact CG2-CG2 4.06Å
211	G	95.4	Very high	94.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.4	167.9	0	0	0	0	0	108.9	H465	G211-H465 PolarHBondContact N-O 3.26Å; G211-H465 PolarHBondContact O-CD2 3.23Å; G211-H465 PolarHBondContact O-N 2.98Å
212	V	96.2	Very high	94.3	Very high	1 Å²	1	42 Å²	42	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.2	-176.7	-170.2	0	0	0	0	109.3	Y206 I210 Y214 F230 F464	Y206-V212 HydrophobicContact CD1-CB 4.45Å; Y206-V212 HydrophobicContact CE1-CB 4.45Å; I210-V212 HydrophobicContact CG2-CG2 3.7Å; V212-Y214 HydrophobicContact CB-CD1 4.21Å; V212-Y214 HydrophobicContact CG1-CD1 3.59Å; V212-Y214 HydrophobicContact CG1-CE1 4.25Å; V212-Y214 HydrophobicContact CG1-CG 4.36Å; V212-F230 HydrophobicContact CG1-CD2 4.24Å; V212-F230 HydrophobicContact CG1-CE2 4.1Å; V212-F230 HydrophobicContact CG2-CD1 3.8Å; V212-F230 HydrophobicContact CG2-CD2 4.18Å; V212-F230 HydrophobicContact CG2-CE1 3.8Å; V212-F230 HydrophobicContact CG2-CE2 4.18Å; V212-F230 HydrophobicContact CG2-CG 4.01Å; V212-F230 HydrophobicContact CG2-CZ 4Å; V212-F464 HydrophobicContact CG1-CD1 3.91Å; V212-F464 HydrophobicContact CG1-CE1 3.93Å
213	E	95.8	Very high	94.1	Very high	11 Å²	11	44.1 Å²	44.1	5%	0.051	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.4	170.3	-62.2	-165.9	97.1	0	0	110.2	H139 H216 Y451 K457 I463 H465	H139-E213 HydrophobicContact CB-CG 4.34Å; H139-E213 IonicContact CE1-OE1 3.25Å; H139-E213 PolarHBondContact CE1-OE1 3.4Å; H139-E213 VanDerWaalsContact CE1-OE1 3.24Å; H139-E213 IonicContact ND1-OE1 3.64Å; H139-E213 IonicContact NE2-OE1 2.78Å; E213-H216 PolarHBondContact O-CE1 3.35Å; E213-Y451 WeakPolarHBondContact OE2-CD2 3.35Å; E213-K457 VanDerWaalsContact CD-NZ 3.33Å; E213-K457 WeakPolarHBondContact OE1-CE 3.16Å; E213-K457 IonicContact OE1-NZ 3.64Å; E213-K457 PolarHBondContact OE1-NZ 3.3Å; E213-K457 WeakPolarHBondContact OE2-CE 3.4Å; E213-K457 IonicContact OE2-NZ 3.35Å; E213-K457 PolarHBondContact OE2-NZ 3.46Å; E213-I463 HydrophobicContact CB-CB 4.18Å; E213-I463 PolarHBondContact N-O 3.09Å; E213-I463 PolarHBondContact O-N 3.02Å; E213-H465 IonicContact OE2-CE1 2.64Å; E213-H465 IonicContact OE2-NE2 3.33Å; E213-H465 PolarHBondContact OE2-NE2 3.44Å; E213-H465 VanDerWaalsContact OE2-NE2 3.12Å
214	Y	95.4	Very high	94.2	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.008	22%	0.222	C	C	.	.			trans	-148	-4.3	-178.9	68.8	-77.4	0	0	0	114.1	Q135 Y206 V212 H216 I217 Y223 L226 R227	Q135-Y214 WeakPolarHBondContact CB-OH 3.34Å; Q135-Y214 WeakPolarHBondContact CG-OH 3.26Å; Y206-Y214 AromaticContact CE1-CE1 3.97Å; Y206-Y214 HydrophobicContact CE1-CE1 3.97Å; Y206-Y214 PolarHBondContact OH-OH 3.49Å; V212-Y214 HydrophobicContact CB-CD1 4.21Å; V212-Y214 HydrophobicContact CG1-CD1 3.59Å; V212-Y214 HydrophobicContact CG1-CE1 4.25Å; V212-Y214 HydrophobicContact CG1-CG 4.36Å; Y214-H216 PolarHBondContact O-N 3.42Å; Y214-I217 VanDerWaalsContact O-CB 3.26Å; Y214-I217 WeakPolarHBondContact O-CB 3.34Å; Y214-I217 WeakPolarHBondContact O-CG1 3.39Å; Y214-I217 PolarHBondContact O-N 3.15Å; Y214-Y223 AromaticContact CD2-CD2 3.59Å; Y214-Y223 HydrophobicContact CD2-CD2 3.59Å; Y214-Y223 AromaticContact CD2-CE2 3.79Å; Y214-Y223 HydrophobicContact CD2-CE2 3.79Å; Y214-Y223 HydrophobicContact CD2-CG 4.42Å; Y214-Y223 AromaticContact CE2-CD2 3.51Å; Y214-Y223 HydrophobicContact CE2-CD2 3.51Å; Y214-Y223 AromaticContact CE2-CE2 3.3Å; Y214-Y223 HydrophobicContact CE2-CE2 3.3Å; Y214-Y223 HydrophobicContact CE2-CG 4.25Å; Y214-Y223 AromaticContact CE2-CZ 3.92Å; Y214-L226 VanDerWaalsContact CB-CD1 3.5Å; Y214-L226 HydrophobicContact CD2-CB 4.29Å; Y214-L226 HydrophobicContact CD2-CD1 4.24Å; Y214-L226 HydrophobicContact CG-CB 4.47Å; Y214-L226 HydrophobicContact CG-CD1 4.1Å; Y214-R227 HydrophobicContact CE2-CG 3.48Å; Y214-R227 VanDerWaalsContact CE2-CG 3.48Å; Y214-R227 VanDerWaalsContact OH-CG 3.26Å; Y214-R227 WeakPolarHBondContact OH-CG 3.34Å
215	T	94.1	Very high	94.4	Very high	64 Å²	64	38.1 Å²	38.1	39%	0.393	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-15.1	-176.5	55	0	0	0	0	113.4	A136 Y223	A136-T215 HydrophobicContact CB-CG2 3.92Å; T215-Y223 HydrophobicContact CG2-CE2 4.3Å
216	H	94.8	Very high	94.6	Very high	49 Å²	49	37.1 Å²	37.1	23%	0.227	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-12.9	168.9	57.7	-79.6	0	0	0	113.2	E213 Y214 A218 N460 A461	E213-H216 PolarHBondContact O-CE1 3.35Å; Y214-H216 PolarHBondContact O-N 3.42Å; H216-A218 PolarHBondContact O-N 3.06Å; H216-N460 PolarHBondContact O-OD1 2.64Å; H216-A461 PolarHBondContact NE2-O 3.23Å
217	I	95.2	Very high	94.6	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.041	20%	0.202	C	C	.	.			trans	-77.1	115.6	178.3	-55.8	178.2	0	0	0	109.8	Y214 N219 Q222 L226 N460 P462 W484	Y214-I217 VanDerWaalsContact O-CB 3.26Å; Y214-I217 WeakPolarHBondContact O-CB 3.34Å; Y214-I217 WeakPolarHBondContact O-CG1 3.39Å; Y214-I217 PolarHBondContact O-N 3.15Å; I217-N219 PolarHBondContact O-N 3.46Å; I217-Q222 HydrophobicContact CG2-CB 3.94Å; I217-L226 HydrophobicContact CD1-CD1 3.83Å; I217-N460 HydrophobicContact CG1-CB 4.49Å; I217-P462 HydrophobicContact CD1-CB 3.93Å; I217-P462 HydrophobicContact CD1-CG 4.47Å; I217-W484 HydrophobicContact CD1-CH2 3.85Å; I217-W484 HydrophobicContact CD1-CZ2 4.38Å
218	A	91.1	Very high	94.7	Very high	101 Å²	101	40 Å²	40	84%	0.835	22%	0.215	S	C	*	.			trans	-75.2	-20	-176.3	0	0	0	0	0	115	H216	H216-A218 PolarHBondContact O-N 3.06Å
219	N	94.7	Very high	94.9	Very high	68 Å²	68	39 Å²	39	36%	0.364	21%	0.208	S	C	.	.			trans	-80.8	122.8	-176	178.8	-70.7	0	0	0	111.2	I217 D221 Q222 Y223	I217-N219 PolarHBondContact O-N 3.46Å; N219-D221 PolarHBondContact OD1-N 3.36Å; N219-Q222 HydrophobicContact CB-CB 4.03Å; N219-Q222 HydrophobicContact CB-CG 4.09Å; N219-Q222 PolarHBondContact O-N 2.76Å; N219-Q222 WeakPolarHBondContact OD1-CG 3.48Å; N219-Q222 PolarHBondContact OD1-N 3.37Å; N219-Y223 WeakPolarHBondContact O-CB 3.48Å; N219-Y223 PolarHBondContact O-N 3.33Å
220	H	93	Very high	94.9	Very high	126 Å²	126	37.1 Å²	37.1	58%	0.583	20%	0.199	S	C	*	.	H	α-helix	trans	-64.9	-42	-175.8	-175.2	61	0	0	0	113.6	Q222 Y223 E224	H220-Q222 VanDerWaalsContact C-N 3.29Å; H220-Q222 PolarHBondContact O-N 3.22Å; H220-Y223 WeakPolarHBondContact O-CB 3.19Å; H220-Y223 PolarHBondContact O-N 3.13Å; H220-E224 VanDerWaalsContact CE1-CG 3.42Å; H220-E224 WeakPolarHBondContact CE1-CG 3.4Å; H220-E224 IonicContact CE1-OE1 3.64Å; H220-E224 PolarHBondContact O-N 3.36Å
221	D	95.6	Very high	94.8	Very high	117 Å²	117	36.8 Å²	36.8	63%	0.626	20%	0.198	S	C	*	.	H	α-helix	trans	-64.9	-37	179.6	-60.7	-30.2	0	0	0	111.6	N219 W225	N219-D221 PolarHBondContact OD1-N 3.36Å; D221-W225 WeakPolarHBondContact O-CB 3.43Å; D221-W225 PolarHBondContact O-N 3.05Å
222	Q	95.8	Very high	94.8	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.056	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-45.1	174.2	-75.5	177.6	0.7	0	0	111.3	I217 N219 H220 W225 L226 W484 F488	I217-Q222 HydrophobicContact CG2-CB 3.94Å; N219-Q222 HydrophobicContact CB-CB 4.03Å; N219-Q222 HydrophobicContact CB-CG 4.09Å; N219-Q222 PolarHBondContact O-N 2.76Å; N219-Q222 WeakPolarHBondContact OD1-CG 3.48Å; N219-Q222 PolarHBondContact OD1-N 3.37Å; H220-Q222 VanDerWaalsContact C-N 3.29Å; H220-Q222 PolarHBondContact O-N 3.22Å; Q222-W225 PolarHBondContact O-N 3.06Å; Q222-L226 PolarHBondContact O-N 3.3Å; Q222-L226 VanDerWaalsContact O-N 3.13Å; Q222-W484 HydrophobicContact CB-CH2 3.7Å; Q222-W484 HydrophobicContact CB-CZ3 3.85Å; Q222-W484 HydrophobicContact CG-CH2 3.75Å; Q222-W484 HydrophobicContact CG-CZ3 4.05Å; Q222-F488 HydrophobicContact CB-CE1 4.49Å; Q222-F488 HydrophobicContact CB-CZ 4.38Å; Q222-F488 HydrophobicContact CG-CD1 3.56Å; Q222-F488 HydrophobicContact CG-CD2 4.19Å; Q222-F488 HydrophobicContact CG-CE1 3.52Å; Q222-F488 HydrophobicContact CG-CE2 4.15Å; Q222-F488 HydrophobicContact CG-CG 3.89Å; Q222-F488 HydrophobicContact CG-CZ 3.82Å
223	Y	90.2	Very high	94.5	Very high	46 Å²	46	41.3 Å²	41.3	18%	0.18	23%	0.227	C	C	.	.	H	α-helix	trans	-60	-51.6	177.4	178.6	-93.3	0	0	0	111.8	Q135 Y214 T215 N219 H220 W225 L226 R227	Q135-Y223 PolarHBondContact OE1-OH 2.78Å; Y214-Y223 AromaticContact CD2-CD2 3.59Å; Y214-Y223 HydrophobicContact CD2-CD2 3.59Å; Y214-Y223 AromaticContact CD2-CE2 3.79Å; Y214-Y223 HydrophobicContact CD2-CE2 3.79Å; Y214-Y223 HydrophobicContact CD2-CG 4.42Å; Y214-Y223 AromaticContact CE2-CD2 3.51Å; Y214-Y223 HydrophobicContact CE2-CD2 3.51Å; Y214-Y223 AromaticContact CE2-CE2 3.3Å; Y214-Y223 HydrophobicContact CE2-CE2 3.3Å; Y214-Y223 HydrophobicContact CE2-CG 4.25Å; Y214-Y223 AromaticContact CE2-CZ 3.92Å; T215-Y223 HydrophobicContact CG2-CE2 4.3Å; N219-Y223 WeakPolarHBondContact O-CB 3.48Å; N219-Y223 PolarHBondContact O-N 3.33Å; H220-Y223 WeakPolarHBondContact O-CB 3.19Å; H220-Y223 PolarHBondContact O-N 3.13Å; Y223-W225 VanDerWaalsContact C-N 3.34Å; Y223-W225 PolarHBondContact O-N 3.27Å; Y223-L226 PolarHBondContact O-N 3.24Å; Y223-R227 VanDerWaalsContact O-CG 3.28Å; Y223-R227 WeakPolarHBondContact O-CG 3.46Å; Y223-R227 PolarHBondContact O-N 2.7Å
224	E	94	Very high	94.2	Very high	28 Å²	28	48.9 Å²	48.9	13%	0.131	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-35.4	178.8	-69.6	-56.7	125	0	0	112.3	Y185 H220 L226 R227 M228	Y185-E224 WeakPolarHBondContact CE2-OE2 3.39Å; H220-E224 VanDerWaalsContact CE1-CG 3.42Å; H220-E224 WeakPolarHBondContact CE1-CG 3.4Å; H220-E224 IonicContact CE1-OE1 3.64Å; H220-E224 PolarHBondContact O-N 3.36Å; E224-L226 PolarHBondContact O-N 3.11Å; E224-R227 PolarHBondContact O-N 3.27Å; E224-R227 IonicContact OE1-CZ 2.74Å; E224-R227 IonicContact OE1-NH1 3.49Å; E224-R227 PolarHBondContact OE1-NH1 2.89Å; E224-R227 IonicContact OE2-NH1 3.41Å; E224-R227 PolarHBondContact OE2-NH1 2.73Å; E224-M228 PolarHBondContact O-N 2.76Å
225	W	96.6	Very high	94	Very high	18 Å²	18	52.4 Å²	52.4	7%	0.068	28%	0.277	C	S	.	.	H	α-helix	trans	-61.8	-46.1	177.1	-175.2	80.8	0	0	0	112.1	D221 Q222 Y223 R227 M228 H229 V480 E483 W484 K487 F488	D221-W225 WeakPolarHBondContact O-CB 3.43Å; D221-W225 PolarHBondContact O-N 3.05Å; Q222-W225 PolarHBondContact O-N 3.06Å; Y223-W225 VanDerWaalsContact C-N 3.34Å; Y223-W225 PolarHBondContact O-N 3.27Å; W225-R227 VanDerWaalsContact C-N 3.3Å; W225-R227 PolarHBondContact O-N 3.03Å; W225-M228 PolarHBondContact O-N 3.44Å; W225-H229 AromaticContact CD1-CE1 3.46Å; W225-H229 VanDerWaalsContact CD1-CE1 3.46Å; W225-H229 AromaticContact CD1-ND1 3.85Å; W225-H229 AromaticContact CD2-CE1 3.75Å; W225-H229 AromaticContact CD2-ND1 3.62Å; W225-H229 AromaticContact CE2-CE1 3.12Å; W225-H229 AromaticContact CE2-ND1 3.45Å; W225-H229 AromaticContact CE2-NE2 3.52Å; W225-H229 AromaticContact CG-ND1 3.97Å; W225-H229 AromaticContact CH2-CD2 3.9Å; W225-H229 AromaticContact CH2-CG 3.99Å; W225-H229 AromaticContact CZ2-CD2 3.61Å; W225-H229 AromaticContact CZ2-CE1 3.44Å; W225-H229 VanDerWaalsContact CZ2-CE1 3.44Å; W225-H229 WeakPolarHBondContact CZ2-CE1 3.49Å; W225-H229 AromaticContact CZ2-CG 3.89Å; W225-H229 AromaticContact CZ2-ND1 3.76Å; W225-H229 AromaticContact CZ2-NE2 3.32Å; W225-H229 VanDerWaalsContact CZ2-NE2 3.32Å; W225-H229 WeakPolarHBondContact CZ2-NE2 3.36Å; W225-H229 AromaticContact NE1-CE1 2.97Å; W225-H229 PolarHBondContact NE1-CE1 3.32Å; W225-H229 AromaticContact NE1-ND1 3.64Å; W225-H229 AromaticContact NE1-NE2 3.59Å; W225-H229 PolarHBondContact O-N 3.19Å; W225-H229 VanDerWaalsContact O-N 3.15Å; W225-H229 PolarHBondContact O-ND1 3.46Å; W225-V480 HydrophobicContact CH2-CG1 3.94Å; W225-V480 HydrophobicContact CZ3-CG1 3.84Å; W225-E483 HydrophobicContact CH2-CB 3.83Å; W225-E483 HydrophobicContact CZ2-CB 3.83Å; W225-W484 AromaticContact CE3-CE3 3.86Å; W225-W484 HydrophobicContact CE3-CE3 3.86Å; W225-W484 HydrophobicContact CE3-CZ3 4.48Å; W225-W484 HydrophobicContact CH2-CB 4.08Å; W225-W484 HydrophobicContact CZ3-CB 3.89Å; W225-W484 AromaticContact CZ3-CE3 3.93Å; W225-W484 HydrophobicContact CZ3-CE3 3.93Å; W225-K487 HydrophobicContact CD2-CD 4.43Å; W225-K487 HydrophobicContact CG-CD 4.3Å; W225-F488 HydrophobicContact CB-CE2 3.92Å; W225-F488 HydrophobicContact CB-CZ 3.72Å; W225-F488 AromaticContact CD2-CE2 3.61Å; W225-F488 HydrophobicContact CD2-CE2 3.61Å; W225-F488 HydrophobicContact CD2-CZ 4.23Å; W225-F488 AromaticContact CE3-CE2 3.79Å; W225-F488 HydrophobicContact CE3-CE2 3.79Å; W225-F488 AromaticContact CG-CE2 3.7Å; W225-F488 HydrophobicContact CG-CE2 3.7Å; W225-F488 AromaticContact CG-CZ 3.8Å; W225-F488 HydrophobicContact CG-CZ 3.8Å
226	L	96.7	Very high	93.8	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-43	177.3	-73.7	167.3	0	0	0	111	Y214 I217 Q222 Y223 E224 M228 H229 F230 P462 F464 V480 W484	Y214-L226 VanDerWaalsContact CB-CD1 3.5Å; Y214-L226 HydrophobicContact CD2-CB 4.29Å; Y214-L226 HydrophobicContact CD2-CD1 4.24Å; Y214-L226 HydrophobicContact CG-CB 4.47Å; Y214-L226 HydrophobicContact CG-CD1 4.1Å; I217-L226 HydrophobicContact CD1-CD1 3.83Å; Q222-L226 PolarHBondContact O-N 3.3Å; Q222-L226 VanDerWaalsContact O-N 3.13Å; Y223-L226 PolarHBondContact O-N 3.24Å; E224-L226 PolarHBondContact O-N 3.11Å; L226-M228 VanDerWaalsContact C-N 3.34Å; L226-M228 PolarHBondContact O-N 3.45Å; L226-H229 PolarHBondContact O-N 2.99Å; L226-F230 HydrophobicContact CD2-CE2 4.38Å; L226-F230 WeakPolarHBondContact O-CD2 3.33Å; L226-F230 PolarHBondContact O-N 2.84Å; L226-F230 VanDerWaalsContact O-N 3.13Å; L226-P462 HydrophobicContact CD1-CB 3.91Å; L226-P462 HydrophobicContact CD2-CB 4.35Å; L226-F464 HydrophobicContact CD2-CE1 3.93Å; L226-F464 HydrophobicContact CD2-CZ 3.81Å; L226-V480 HydrophobicContact CD2-CG1 4.47Å; L226-W484 HydrophobicContact CD1-CE3 4.19Å; L226-W484 HydrophobicContact CD1-CH2 4.26Å; L226-W484 HydrophobicContact CD1-CZ3 3.65Å; L226-W484 HydrophobicContact CD2-CE3 3.87Å; L226-W484 HydrophobicContact CD2-CZ3 4.17Å; L226-W484 HydrophobicContact CG-CE3 3.99Å; L226-W484 HydrophobicContact CG-CZ3 3.79Å
227	R	94.7	Very high	93.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.8	-44.1	179	-67.4	175.2	72	-130.4	-19.1	111.6	Q135 S183 Y185 Y214 Y223 E224 W225 H229 F230 E231	Q135-R227 VanDerWaalsContact NE2-CZ 3.31Å; Q135-R227 VanDerWaalsContact NE2-NE 3.2Å; S183-R227 VanDerWaalsContact C-NH1 3.27Å; S183-R227 PolarHBondContact O-NH1 3.41Å; S183-R227 PolarHBondContact O-NH2 2.97Å; Y185-R227 HydrophobicContact CD2-CB 4.09Å; Y185-R227 HydrophobicContact CE2-CB 4.24Å; Y214-R227 HydrophobicContact CE2-CG 3.48Å; Y214-R227 VanDerWaalsContact CE2-CG 3.48Å; Y214-R227 VanDerWaalsContact OH-CG 3.26Å; Y214-R227 WeakPolarHBondContact OH-CG 3.34Å; Y223-R227 VanDerWaalsContact O-CG 3.28Å; Y223-R227 WeakPolarHBondContact O-CG 3.46Å; Y223-R227 PolarHBondContact O-N 2.7Å; E224-R227 PolarHBondContact O-N 3.27Å; E224-R227 IonicContact OE1-CZ 2.74Å; E224-R227 IonicContact OE1-NH1 3.49Å; E224-R227 PolarHBondContact OE1-NH1 2.89Å; E224-R227 IonicContact OE2-NH1 3.41Å; E224-R227 PolarHBondContact OE2-NH1 2.73Å; W225-R227 VanDerWaalsContact C-N 3.3Å; W225-R227 PolarHBondContact O-N 3.03Å; R227-H229 VanDerWaalsContact C-N 3.29Å; R227-H229 PolarHBondContact O-N 3.34Å; R227-F230 PolarHBondContact O-N 3.11Å; R227-E231 IonicContact CZ-OE1 3.48Å; R227-E231 IonicContact NE-OE1 3.36Å; R227-E231 PolarHBondContact NE-OE1 2.84Å; R227-E231 IonicContact NH2-OE1 3.42Å; R227-E231 PolarHBondContact NH2-OE1 2.91Å; R227-E231 IonicContact NH2-OE2 2.68Å; R227-E231 PolarHBondContact NH2-OE2 3.13Å; R227-E231 WeakPolarHBondContact O-CA 3.46Å; R227-E231 WeakPolarHBondContact O-CB 3.32Å; R227-E231 WeakPolarHBondContact O-CG 3.44Å; R227-E231 PolarHBondContact O-N 3.43Å
228	M	95	Very high	93.6	Very high	75 Å²	75	57.3 Å²	57.3	37%	0.369	30%	0.301	S	S	.	.	H	α-helix	trans	-60	-38.3	174.5	-172	178	66.6	0	0	112.6	Y185 E224 W225 L226 F230 T232	Y185-M228 HydrophobicContact CD1-CG 4.47Å; Y185-M228 HydrophobicContact CD2-CB 4.18Å; Y185-M228 HydrophobicContact CE1-CG 4.5Å; Y185-M228 HydrophobicContact CE2-CB 4.1Å; Y185-M228 HydrophobicContact CG-CB 4.43Å; E224-M228 PolarHBondContact O-N 2.76Å; W225-M228 PolarHBondContact O-N 3.44Å; L226-M228 VanDerWaalsContact C-N 3.34Å; L226-M228 PolarHBondContact O-N 3.45Å; M228-F230 VanDerWaalsContact C-N 3.34Å; M228-F230 PolarHBondContact O-N 3.13Å; M228-T232 VanDerWaalsContact O-CB 3.32Å; M228-T232 WeakPolarHBondContact O-CB 3.46Å; M228-T232 PolarHBondContact O-OG1 3.4Å
229	H	96	Very high	93.8	Very high	31 Å²	31	56.4 Å²	56.4	14%	0.144	29%	0.286	C	S	.	.	H	α-helix	trans	-78.2	-14.4	-176.8	-72	66.3	0	0	0	114.3	W225 L226 R227 H476 V480 E483	W225-H229 AromaticContact CD1-CE1 3.46Å; W225-H229 VanDerWaalsContact CD1-CE1 3.46Å; W225-H229 AromaticContact CD1-ND1 3.85Å; W225-H229 AromaticContact CD2-CE1 3.75Å; W225-H229 AromaticContact CD2-ND1 3.62Å; W225-H229 AromaticContact CE2-CE1 3.12Å; W225-H229 AromaticContact CE2-ND1 3.45Å; W225-H229 AromaticContact CE2-NE2 3.52Å; W225-H229 AromaticContact CG-ND1 3.97Å; W225-H229 AromaticContact CH2-CD2 3.9Å; W225-H229 AromaticContact CH2-CG 3.99Å; W225-H229 AromaticContact CZ2-CD2 3.61Å; W225-H229 AromaticContact CZ2-CE1 3.44Å; W225-H229 VanDerWaalsContact CZ2-CE1 3.44Å; W225-H229 WeakPolarHBondContact CZ2-CE1 3.49Å; W225-H229 AromaticContact CZ2-CG 3.89Å; W225-H229 AromaticContact CZ2-ND1 3.76Å; W225-H229 AromaticContact CZ2-NE2 3.32Å; W225-H229 VanDerWaalsContact CZ2-NE2 3.32Å; W225-H229 WeakPolarHBondContact CZ2-NE2 3.36Å; W225-H229 AromaticContact NE1-CE1 2.97Å; W225-H229 PolarHBondContact NE1-CE1 3.32Å; W225-H229 AromaticContact NE1-ND1 3.64Å; W225-H229 AromaticContact NE1-NE2 3.59Å; W225-H229 PolarHBondContact O-N 3.19Å; W225-H229 VanDerWaalsContact O-N 3.15Å; W225-H229 PolarHBondContact O-ND1 3.46Å; L226-H229 PolarHBondContact O-N 2.99Å; R227-H229 VanDerWaalsContact C-N 3.29Å; R227-H229 PolarHBondContact O-N 3.34Å; H229-H476 PolarHBondContact O-CE1 3.23Å; H229-H476 PolarHBondContact O-NE2 3.22Å; H229-V480 HydrophobicContact CB-CG1 4.23Å; H229-V480 HydrophobicContact CB-CG2 4.12Å; H229-E483 IonicContact CD2-OE2 3.96Å; H229-E483 PolarHBondContact CD2-OE2 3.07Å; H229-E483 IonicContact NE2-OE2 3.62Å; H229-E483 PolarHBondContact NE2-OE2 2.82Å
230	F	95.8	Very high	93.8	Very high	12 Å²	12	55.4 Å²	55.4	5%	0.053	29%	0.286	C	S	.	.	H	α-helix	trans	-113.5	-35.7	177	-74.7	-79.6	0	0	0	113.6	I205 I210 V212 L226 R227 M228 F464 H476 V477 V480	I205-F230 HydrophobicContact CG2-CB 4Å; I205-F230 WeakPolarHBondContact CG2-O 3.21Å; I210-F230 HydrophobicContact CG2-CD1 4.47Å; I210-F230 HydrophobicContact CG2-CE1 4.01Å; V212-F230 HydrophobicContact CG1-CD2 4.24Å; V212-F230 HydrophobicContact CG1-CE2 4.1Å; V212-F230 HydrophobicContact CG2-CD1 3.8Å; V212-F230 HydrophobicContact CG2-CD2 4.18Å; V212-F230 HydrophobicContact CG2-CE1 3.8Å; V212-F230 HydrophobicContact CG2-CE2 4.18Å; V212-F230 HydrophobicContact CG2-CG 4.01Å; V212-F230 HydrophobicContact CG2-CZ 4Å; L226-F230 HydrophobicContact CD2-CE2 4.38Å; L226-F230 WeakPolarHBondContact O-CD2 3.33Å; L226-F230 PolarHBondContact O-N 2.84Å; L226-F230 VanDerWaalsContact O-N 3.13Å; R227-F230 PolarHBondContact O-N 3.11Å; M228-F230 VanDerWaalsContact C-N 3.34Å; M228-F230 PolarHBondContact O-N 3.13Å; F230-F464 AromaticContact CE2-CD1 3.92Å; F230-F464 HydrophobicContact CE2-CD1 3.92Å; F230-F464 AromaticContact CE2-CE1 3.47Å; F230-F464 HydrophobicContact CE2-CE1 3.47Å; F230-F464 VanDerWaalsContact CE2-CE1 3.47Å; F230-F464 HydrophobicContact CE2-CZ 4.31Å; F230-F464 AromaticContact CZ-CD1 3.6Å; F230-F464 HydrophobicContact CZ-CD1 3.6Å; F230-F464 AromaticContact CZ-CE1 3.62Å; F230-F464 HydrophobicContact CZ-CE1 3.62Å; F230-F464 HydrophobicContact CZ-CG 4.49Å; F230-F464 HydrophobicContact CZ-CZ 4.5Å; F230-H476 AromaticContact CE1-CD2 3.93Å; F230-V477 HydrophobicContact CE1-CG2 4.28Å; F230-V480 HydrophobicContact CE2-CB 4.47Å; F230-V480 HydrophobicContact CE2-CG1 3.75Å; F230-V480 HydrophobicContact CZ-CB 4.32Å; F230-V480 HydrophobicContact CZ-CG1 4.06Å; F230-V480 HydrophobicContact CZ-CG2 4.35Å
231	E	95.5	Very high	93.8	Very high	2 Å²	2	55 Å²	55	1%	0.009	29%	0.285	C	S	.	.	H	α-helix	trans	-83.1	-20.8	-175.7	-63.1	-179.5	-164.8	0	0	113.5	Q135 T184 Y185 I186 I205 Y206 R227 P233	Q135-E231 PolarHBondContact NE2-OE1 3.39Å; T184-E231 VanDerWaalsContact CA-OE2 3.26Å; T184-E231 WeakPolarHBondContact CA-OE2 3.49Å; T184-E231 WeakPolarHBondContact CB-OE2 3.46Å; T184-E231 PolarHBondContact OG1-OE2 3.45Å; Y185-E231 PolarHBondContact N-OE2 3.05Å; I186-E231 WeakPolarHBondContact CA-O 3.46Å; I186-E231 HydrophobicContact CG2-CB 3.92Å; I186-E231 HydrophobicContact CG2-CG 4.04Å; I205-E231 HydrophobicContact CD1-CB 4.25Å; I205-E231 HydrophobicContact CD1-CG 4.42Å; Y206-E231 HydrophobicContact CE2-CG 4.27Å; Y206-E231 WeakPolarHBondContact OH-CG 3.42Å; Y206-E231 PolarHBondContact OH-OE1 3.03Å; R227-E231 IonicContact CZ-OE1 3.48Å; R227-E231 IonicContact NE-OE1 3.36Å; R227-E231 PolarHBondContact NE-OE1 2.84Å; R227-E231 IonicContact NH2-OE1 3.42Å; R227-E231 PolarHBondContact NH2-OE1 2.91Å; R227-E231 IonicContact NH2-OE2 2.68Å; R227-E231 PolarHBondContact NH2-OE2 3.13Å; R227-E231 WeakPolarHBondContact O-CA 3.46Å; R227-E231 WeakPolarHBondContact O-CB 3.32Å; R227-E231 WeakPolarHBondContact O-CG 3.44Å; R227-E231 PolarHBondContact O-N 3.43Å; E231-P233 WeakPolarHBondContact O-CD 3.44Å
232	T	93.8	Very high	93.8	Very high	45 Å²	45	54 Å²	54	28%	0.276	28%	0.276	S	S	.	.	S	Bend	trans	-64	125.8	-177.8	-61.3	0	0	0	0	111	M228 I235	M228-T232 VanDerWaalsContact O-CB 3.32Å; M228-T232 WeakPolarHBondContact O-CB 3.46Å; M228-T232 PolarHBondContact O-OG1 3.4Å; T232-I235 WeakPolarHBondContact O-CB 3.31Å; T232-I235 WeakPolarHBondContact O-CG2 3.34Å; T232-I235 PolarHBondContact O-N 2.89Å
233	P	91.3	Very high	93.8	Very high	52 Å²	52	54.2 Å²	54.2	34%	0.338	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	141.7	179.6	-26.6	35	0	0	0	112.9	E231 I235	E231-P233 WeakPolarHBondContact O-CD 3.44Å; P233-I235 PolarHBondContact O-N 3.2Å
234	K	89.3	Confident	94.1	Very high	169 Å²	169	54.3 Å²	54.3	74%	0.735	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	12.1	177.9	-56.7	-174.9	178.6	-176.9	0	115.8	M236 D237	K234-M236 PolarHBondContact O-N 2.69Å; K234-D237 WeakPolarHBondContact CB-OD2 3.49Å; K234-D237 WeakPolarHBondContact O-CB 3.26Å; K234-D237 PolarHBondContact O-N 2.65Å; K234-D237 VanDerWaalsContact O-N 3.13Å
235	I	90.3	Very high	94.1	Very high	76 Å²	76	55.6 Å²	55.6	39%	0.39	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.2	-179.1	-160.2	68.8	0	0	0	113.2	T232 P233	T232-I235 WeakPolarHBondContact O-CB 3.31Å; T232-I235 WeakPolarHBondContact O-CG2 3.34Å; T232-I235 PolarHBondContact O-N 2.89Å; P233-I235 PolarHBondContact O-N 3.2Å
236	M	90.1	Very high	94.2	Very high	67 Å²	67	55 Å²	55	33%	0.33	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.7	179	-60.1	-167.3	-64.5	0	0	114	I210 K234 L238 H476	I210-M236 HydrophobicContact CD1-SD 3.65Å; K234-M236 PolarHBondContact O-N 2.69Å; M236-L238 PolarHBondContact O-N 3.09Å; M236-H476 HydrophobicContact CG-CB 4.14Å
237	D	91.7	Very high	94.2	Very high	112 Å²	112	55 Å²	55	60%	0.599	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-66.5	121	-176	-72.2	-0.5	0	0	0	110.1	K234	K234-D237 WeakPolarHBondContact CB-OD2 3.49Å; K234-D237 WeakPolarHBondContact O-CB 3.26Å; K234-D237 PolarHBondContact O-N 2.65Å; K234-D237 VanDerWaalsContact O-N 3.13Å
238	L	93.5	Very high	94.3	Very high	46 Å²	46	58.4 Å²	58.4	24%	0.241	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-95.5	144	175.5	-63.7	-177.9	0	0	0	111.4	M236 Q242 Q243 L246 E472	M236-L238 PolarHBondContact O-N 3.09Å; L238-Q242 HydrophobicContact CB-CB 4.27Å; L238-Q242 HydrophobicContact CD2-CB 4.41Å; L238-Q243 HydrophobicContact CB-CG 3.77Å; L238-Q243 HydrophobicContact CD1-CG 4.29Å; L238-L246 HydrophobicContact CD1-CD2 4.34Å; L238-E472 HydrophobicContact CD1-CB 4.06Å; L238-E472 HydrophobicContact CD1-CG 3.83Å
239	T	95.2	Very high	94.4	Very high	82 Å²	82	56 Å²	56	50%	0.503	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-69.2	154.6	167.9	64	0	0	0	0	111.1	E241 Q242 Q243	T239-E241 PolarHBondContact O-N 3.22Å; T239-E241 VanDerWaalsContact O-N 3.15Å; T239-Q242 WeakPolarHBondContact O-CB 3.39Å; T239-Q242 PolarHBondContact O-N 3.12Å; T239-Q242 VanDerWaalsContact OG1-CG 3.31Å; T239-Q242 WeakPolarHBondContact OG1-CG 3.43Å; T239-Q242 PolarHBondContact OG1-N 3.46Å; T239-Q242 PolarHBondContact OG1-OE1 3.44Å; T239-Q243 PolarHBondContact O-N 3.31Å
240	A	95	Very high	94.5	Very high	46 Å²	46	54.6 Å²	54.6	38%	0.38	28%	0.281	S	S	.	.	H	α-helix	trans	-55.1	-35.4	177.9	0	0	0	0	0	112.9	Q243 K244 I540	A240-Q243 PolarHBondContact O-N 3.41Å; A240-K244 WeakPolarHBondContact O-CG 3.05Å; A240-K244 PolarHBondContact O-N 2.82Å; A240-I540 HydrophobicContact CB-CG1 4.48Å; A240-I540 HydrophobicContact CB-CG2 4.18Å
241	E	94	Very high	94.6	Very high	118 Å²	118	54.1 Å²	54.1	55%	0.551	28%	0.279	S	S	*	.	H	α-helix	trans	-71.2	-39.1	177	-69.1	-54.9	125.5	0	0	112.5	T239 Q243 K244 V245	T239-E241 PolarHBondContact O-N 3.22Å; T239-E241 VanDerWaalsContact O-N 3.15Å; E241-Q243 VanDerWaalsContact C-N 3.31Å; E241-Q243 PolarHBondContact O-N 2.8Å; E241-K244 PolarHBondContact O-N 2.98Å; E241-K244 IonicContact OE1-NZ 3.2Å; E241-K244 PolarHBondContact OE1-NZ 3.45Å; E241-V245 WeakPolarHBondContact O-CG2 3.35Å; E241-V245 PolarHBondContact O-N 2.84Å
242	Q	94.7	Very high	94.7	Very high	95 Å²	95	58.2 Å²	58.2	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-62.5	-40.7	172.7	-73.8	165	-45.2	0	0	111.1	L238 T239 K244 V245 L246	L238-Q242 HydrophobicContact CB-CB 4.27Å; L238-Q242 HydrophobicContact CD2-CB 4.41Å; T239-Q242 WeakPolarHBondContact O-CB 3.39Å; T239-Q242 PolarHBondContact O-N 3.12Å; T239-Q242 VanDerWaalsContact OG1-CG 3.31Å; T239-Q242 WeakPolarHBondContact OG1-CG 3.43Å; T239-Q242 PolarHBondContact OG1-N 3.46Å; T239-Q242 PolarHBondContact OG1-OE1 3.44Å; Q242-K244 PolarHBondContact O-N 2.72Å; Q242-V245 PolarHBondContact O-N 3.09Å; Q242-L246 WeakPolarHBondContact O-CB 3.33Å; Q242-L246 PolarHBondContact O-N 3.25Å
243	Q	96.6	Very high	94.9	Very high	17 Å²	17	56.1 Å²	56.1	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-40	176.2	-71.5	175.4	-55.8	0	0	112.1	L238 T239 A240 E241 L246 F247 E472 Y531 L535	L238-Q243 HydrophobicContact CB-CG 3.77Å; L238-Q243 HydrophobicContact CD1-CG 4.29Å; T239-Q243 PolarHBondContact O-N 3.31Å; A240-Q243 PolarHBondContact O-N 3.41Å; E241-Q243 VanDerWaalsContact C-N 3.31Å; E241-Q243 PolarHBondContact O-N 2.8Å; Q243-L246 PolarHBondContact O-N 3.34Å; Q243-F247 WeakPolarHBondContact O-CB 3.34Å; Q243-F247 PolarHBondContact O-N 3Å; Q243-E472 PolarHBondContact NE2-OE1 3.24Å; Q243-Y531 WeakPolarHBondContact CB-OH 3.49Å; Q243-L535 HydrophobicContact CB-CD2 3.94Å
244	K	95.6	Very high	95.2	Very high	49 Å²	49	54 Å²	54	21%	0.213	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-40.1	172.5	-72.2	174.5	-169.9	166.3	0	112.6	A240 E241 Q242 F247 K248 I540	A240-K244 WeakPolarHBondContact O-CG 3.05Å; A240-K244 PolarHBondContact O-N 2.82Å; E241-K244 PolarHBondContact O-N 2.98Å; E241-K244 IonicContact OE1-NZ 3.2Å; E241-K244 PolarHBondContact OE1-NZ 3.45Å; Q242-K244 PolarHBondContact O-N 2.72Å; K244-F247 WeakPolarHBondContact O-CB 3.34Å; K244-F247 PolarHBondContact O-N 3.14Å; K244-K248 WeakPolarHBondContact O-CG 3.35Å; K244-K248 PolarHBondContact O-N 3.43Å; K244-I540 VanDerWaalsContact CE-O 3.32Å; K244-I540 WeakPolarHBondContact CE-O 3.42Å; K244-I540 HydrophobicContact CG-CG2 4.05Å
245	V	95.5	Very high	95.6	Very high	54 Å²	54	48.2 Å²	48.2	33%	0.327	24%	0.243	S	C	.	.	H	α-helix	trans	-63	-45.1	175.9	170.1	0	0	0	0	110.8	E241 Q242 F247 K248 R249	E241-V245 WeakPolarHBondContact O-CG2 3.35Å; E241-V245 PolarHBondContact O-N 2.84Å; Q242-V245 PolarHBondContact O-N 3.09Å; V245-F247 VanDerWaalsContact C-N 3.34Å; V245-K248 PolarHBondContact O-N 2.76Å; V245-R249 WeakPolarHBondContact O-CG 3.34Å; V245-R249 PolarHBondContact O-N 2.84Å; V245-R249 VanDerWaalsContact O-N 3.1Å
246	L	97	Very high	95.9	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-58	-47.1	174.4	175.3	53.1	0	0	0	111	L238 Q242 Q243 K248 R249 L250 P280 P471 E472 M475 Y531	L238-L246 HydrophobicContact CD1-CD2 4.34Å; Q242-L246 WeakPolarHBondContact O-CB 3.33Å; Q242-L246 PolarHBondContact O-N 3.25Å; Q243-L246 PolarHBondContact O-N 3.34Å; L246-K248 PolarHBondContact O-N 3.36Å; L246-R249 WeakPolarHBondContact O-CB 3.43Å; L246-R249 PolarHBondContact O-N 3.12Å; L246-R249 VanDerWaalsContact O-N 3.12Å; L246-L250 HydrophobicContact CD1-CD1 4.42Å; L246-L250 HydrophobicContact CD1-CG 4.42Å; L246-L250 HydrophobicContact CG-CD1 4.43Å; L246-L250 PolarHBondContact O-N 3.08Å; L246-P280 HydrophobicContact CD1-CB 3.52Å; L246-P280 HydrophobicContact CD1-CG 3.93Å; L246-P471 HydrophobicContact CD1-CB 4.13Å; L246-P471 HydrophobicContact CD2-CB 3.98Å; L246-P471 HydrophobicContact CD2-CG 4.36Å; L246-P471 HydrophobicContact CG-CB 4.31Å; L246-E472 HydrophobicContact CD2-CG 4.17Å; L246-M475 HydrophobicContact CD1-CE 4.23Å; L246-M475 HydrophobicContact CD1-CG 3.98Å; L246-M475 HydrophobicContact CD1-SD 3.88Å; L246-M475 HydrophobicContact CD2-CG 3.9Å; L246-M475 HydrophobicContact CG-CG 4.48Å; L246-Y531 HydrophobicContact CB-CE1 4.41Å; L246-Y531 HydrophobicContact CD2-CE1 4.17Å; L246-Y531 HydrophobicContact CD2-CE2 4.38Å; L246-Y531 WeakPolarHBondContact CD2-OH 3.45Å; L246-Y531 HydrophobicContact CG-CE1 3.97Å
247	F	97.7	Very high	96.2	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-57	-48.7	177	179.8	-115.9	0	0	0	113.1	Q243 K244 V245 R249 L250 I251 L528 Y531 T532 L535 Y545 V546	Q243-F247 WeakPolarHBondContact O-CB 3.34Å; Q243-F247 PolarHBondContact O-N 3Å; K244-F247 WeakPolarHBondContact O-CB 3.34Å; K244-F247 PolarHBondContact O-N 3.14Å; V245-F247 VanDerWaalsContact C-N 3.34Å; F247-R249 VanDerWaalsContact C-N 3.26Å; F247-R249 PolarHBondContact O-N 3.04Å; F247-L250 WeakPolarHBondContact O-CB 3.49Å; F247-L250 PolarHBondContact O-N 2.89Å; F247-L250 VanDerWaalsContact O-N 3.14Å; F247-I251 HydrophobicContact CD1-CD1 3.97Å; F247-I251 HydrophobicContact CE1-CD1 3.42Å; F247-I251 VanDerWaalsContact CE1-CD1 3.42Å; F247-I251 HydrophobicContact CE1-CG1 4.3Å; F247-I251 HydrophobicContact CE2-CD1 4.24Å; F247-I251 HydrophobicContact CE2-CG1 4.28Å; F247-I251 HydrophobicContact CZ-CD1 3.57Å; F247-I251 HydrophobicContact CZ-CG1 4.07Å; F247-I251 PolarHBondContact O-N 2.89Å; F247-L528 HydrophobicContact CD2-CD1 4.17Å; F247-L528 HydrophobicContact CE2-CD1 3.76Å; F247-Y531 HydrophobicContact CB-CD1 4.34Å; F247-Y531 HydrophobicContact CB-CE1 4.05Å; F247-Y531 HydrophobicContact CD2-CD1 4.13Å; F247-T532 WeakPolarHBondContact CE2-OG1 3.27Å; F247-L535 HydrophobicContact CB-CD1 3.63Å; F247-L535 HydrophobicContact CD1-CD1 4.46Å; F247-L535 HydrophobicContact CD2-CD1 3.83Å; F247-L535 HydrophobicContact CG-CD1 3.72Å; F247-Y545 AromaticContact CD1-CE1 3.92Å; F247-Y545 HydrophobicContact CD1-CE1 3.92Å; F247-Y545 HydrophobicContact CE1-CD1 4.25Å; F247-Y545 HydrophobicContact CE1-CE1 4.06Å; F247-V546 HydrophobicContact CE1-CG2 4.11Å; F247-V546 HydrophobicContact CZ-CB 4.17Å; F247-V546 HydrophobicContact CZ-CG1 4.02Å; F247-V546 HydrophobicContact CZ-CG2 3.72Å
248	K	96.7	Very high	96.4	Very high	72 Å²	72	40.5 Å²	40.5	31%	0.313	20%	0.201	S	C	.	.	H	α-helix	trans	-60.3	-36.2	176.4	-69.5	178	-174.1	-125.5	0	112.4	K244 V245 L246 R252 Y545 E549	K244-K248 WeakPolarHBondContact O-CG 3.35Å; K244-K248 PolarHBondContact O-N 3.43Å; V245-K248 PolarHBondContact O-N 2.76Å; L246-K248 PolarHBondContact O-N 3.36Å; K248-R252 WeakPolarHBondContact O-CG 2.89Å; K248-R252 PolarHBondContact O-N 3.35Å; K248-R252 VanDerWaalsContact O-N 3.12Å; K248-Y545 WeakPolarHBondContact CE-OH 3.42Å; K248-E549 VanDerWaalsContact CE-CD 3.49Å; K248-E549 WeakPolarHBondContact CE-OE1 3.37Å; K248-E549 VanDerWaalsContact CE-OE2 3.24Å; K248-E549 WeakPolarHBondContact CE-OE2 3.05Å; K248-E549 IonicContact NZ-OE1 3.77Å; K248-E549 PolarHBondContact NZ-OE1 3.24Å; K248-E549 IonicContact NZ-OE2 3.91Å; K248-E549 PolarHBondContact NZ-OE2 2.92Å
249	R	97.3	Very high	96.6	Very high	26 Å²	26	38.9 Å²	38.9	10%	0.098	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-40.1	176.5	-69.1	171.5	-176.9	-167.8	-2.7	111.3	V245 L246 F247 R252 S253 P280 K283 D287	V245-R249 WeakPolarHBondContact O-CG 3.34Å; V245-R249 PolarHBondContact O-N 2.84Å; V245-R249 VanDerWaalsContact O-N 3.1Å; L246-R249 WeakPolarHBondContact O-CB 3.43Å; L246-R249 PolarHBondContact O-N 3.12Å; L246-R249 VanDerWaalsContact O-N 3.12Å; F247-R249 VanDerWaalsContact C-N 3.26Å; F247-R249 PolarHBondContact O-N 3.04Å; R249-R252 PolarHBondContact O-N 3.07Å; R249-S253 PolarHBondContact O-N 2.95Å; R249-P280 HydrophobicContact CB-CB 4.18Å; R249-P280 HydrophobicContact CB-CG 3.77Å; R249-K283 HydrophobicContact CG-CD 4.15Å; R249-K283 VanDerWaalsContact NH1-CB 3.3Å; R249-D287 IonicContact CZ-OD2 3.42Å; R249-D287 IonicContact NH1-OD2 3.72Å; R249-D287 IonicContact NH2-OD2 3.84Å; R249-D287 PolarHBondContact NH2-OD2 2.95Å
250	L	98	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.6	-44.8	174	-74	170.9	0	0	0	111.7	L246 F247 R252 S253 T254 V277 P280 P471 V527 L528 Y531	L246-L250 HydrophobicContact CD1-CD1 4.42Å; L246-L250 HydrophobicContact CD1-CG 4.42Å; L246-L250 HydrophobicContact CG-CD1 4.43Å; L246-L250 PolarHBondContact O-N 3.08Å; F247-L250 WeakPolarHBondContact O-CB 3.49Å; F247-L250 PolarHBondContact O-N 2.89Å; F247-L250 VanDerWaalsContact O-N 3.14Å; L250-R252 VanDerWaalsContact C-N 3.31Å; L250-R252 PolarHBondContact O-N 2.76Å; L250-S253 PolarHBondContact O-N 3.41Å; L250-S253 VanDerWaalsContact O-N 3.16Å; L250-T254 PolarHBondContact O-N 3.18Å; L250-T254 PolarHBondContact O-OG1 2.78Å; L250-V277 HydrophobicContact CD2-CB 4.49Å; L250-P280 HydrophobicContact CD2-CG 3.78Å; L250-P280 HydrophobicContact CG-CG 3.94Å; L250-P471 HydrophobicContact CD1-CB 4Å; L250-P471 HydrophobicContact CD1-CG 4.09Å; L250-V527 HydrophobicContact CD2-CG1 4.15Å; L250-L528 HydrophobicContact CB-CD1 3.97Å; L250-Y531 HydrophobicContact CD1-CD1 3.66Å; L250-Y531 HydrophobicContact CD1-CE1 4.33Å; L250-Y531 HydrophobicContact CD1-CG 4.04Å
251	I	97.9	Very high	96.6	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-52.8	-51.5	173.5	-71.7	174.5	0	0	0	110.3	F247 S253 T254 K255 L528 E549	F247-I251 HydrophobicContact CD1-CD1 3.97Å; F247-I251 HydrophobicContact CE1-CD1 3.42Å; F247-I251 VanDerWaalsContact CE1-CD1 3.42Å; F247-I251 HydrophobicContact CE1-CG1 4.3Å; F247-I251 HydrophobicContact CE2-CD1 4.24Å; F247-I251 HydrophobicContact CE2-CG1 4.28Å; F247-I251 HydrophobicContact CZ-CD1 3.57Å; F247-I251 HydrophobicContact CZ-CG1 4.07Å; F247-I251 PolarHBondContact O-N 2.89Å; I251-S253 VanDerWaalsContact C-N 3.31Å; I251-S253 PolarHBondContact O-N 3.32Å; I251-T254 PolarHBondContact O-N 2.85Å; I251-K255 HydrophobicContact CG2-CG 4.07Å; I251-K255 VanDerWaalsContact O-CB 3.23Å; I251-K255 WeakPolarHBondContact O-CB 3.43Å; I251-K255 WeakPolarHBondContact O-CG 3.34Å; I251-K255 PolarHBondContact O-N 3.39Å; I251-L528 HydrophobicContact CG1-CD1 3.8Å; I251-L528 HydrophobicContact CG1-CD2 4.36Å; I251-E549 HydrophobicContact CD1-CB 3.73Å
252	R	97.6	Very high	96.7	Very high	89 Å²	89	36.6 Å²	36.6	34%	0.336	17%	0.17	S	C	.	.	H	α-helix	trans	-60.6	-42.1	-179	-71.4	-176.1	-177.3	-153.4	-0.6	112.1	K248 R249 L250 F256 N312 Y553	K248-R252 WeakPolarHBondContact O-CG 2.89Å; K248-R252 PolarHBondContact O-N 3.35Å; K248-R252 VanDerWaalsContact O-N 3.12Å; R249-R252 PolarHBondContact O-N 3.07Å; L250-R252 VanDerWaalsContact C-N 3.31Å; L250-R252 PolarHBondContact O-N 2.76Å; R252-F256 WeakPolarHBondContact O-CB 3.34Å; R252-F256 PolarHBondContact O-N 3.26Å; R252-N312 PolarHBondContact O-ND2 3.29Å; R252-Y553 HydrophobicContact CB-CD1 4.43Å; R252-Y553 HydrophobicContact CB-CE1 4.08Å; R252-Y553 HydrophobicContact CB-CE2 4.32Å; R252-Y553 HydrophobicContact CG-CD1 4.18Å; R252-Y553 HydrophobicContact CG-CD2 3.81Å; R252-Y553 HydrophobicContact CG-CE1 4.18Å; R252-Y553 HydrophobicContact CG-CE2 3.81Å; R252-Y553 HydrophobicContact CG-CG 3.99Å; R252-Y553 WeakPolarHBondContact O-CE1 3.47Å
253	S	97.7	Very high	96.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-54.5	178.5	-167.9	0	0	0	0	111.9	R249 L250 I251 E276 I279 N308	R249-S253 PolarHBondContact O-N 2.95Å; L250-S253 PolarHBondContact O-N 3.41Å; L250-S253 VanDerWaalsContact O-N 3.16Å; I251-S253 VanDerWaalsContact C-N 3.31Å; I251-S253 PolarHBondContact O-N 3.32Å; S253-E276 VanDerWaalsContact CB-O 3.27Å; S253-E276 WeakPolarHBondContact CB-O 3.45Å; S253-E276 WeakPolarHBondContact OG-CA 3.2Å; S253-E276 PolarHBondContact OG-O 3.11Å; S253-I279 WeakPolarHBondContact OG-CG1 3.49Å; S253-N308 PolarHBondContact O-ND2 3.25Å
254	T	97.4	Very high	96.6	Very high	7 Å²	7	35 Å²	35	4%	0.043	16%	0.161	C	C	.	.	H	α-helix	trans	-69.7	-47.1	-174.8	-52.9	0	0	0	0	112	L250 I251 F256 E257 E258 L528	L250-T254 PolarHBondContact O-N 3.18Å; L250-T254 PolarHBondContact O-OG1 2.78Å; I251-T254 PolarHBondContact O-N 2.85Å; T254-F256 VanDerWaalsContact C-N 3.27Å; T254-F256 PolarHBondContact O-N 2.66Å; T254-E257 PolarHBondContact O-N 2.69Å; T254-E258 PolarHBondContact O-N 3.37Å; T254-E258 VanDerWaalsContact O-N 3.13Å; T254-L528 HydrophobicContact CG2-CB 4.39Å; T254-L528 HydrophobicContact CG2-CD2 4.08Å
255	K	97.2	Very high	96.5	Very high	48 Å²	48	36.8 Å²	36.8	21%	0.209	18%	0.177	C	C	.	.	H	α-helix	trans	-70.4	-25.1	-175.6	-62.3	-50.3	-176.6	-168.6	0	113	I251 E258 F259 T550 Y553 M557	I251-K255 HydrophobicContact CG2-CG 4.07Å; I251-K255 VanDerWaalsContact O-CB 3.23Å; I251-K255 WeakPolarHBondContact O-CB 3.43Å; I251-K255 WeakPolarHBondContact O-CG 3.34Å; I251-K255 PolarHBondContact O-N 3.39Å; K255-E258 WeakPolarHBondContact CD-OE2 3.41Å; K255-E258 IonicContact NZ-OE1 3.39Å; K255-E258 PolarHBondContact NZ-OE1 3.47Å; K255-E258 IonicContact NZ-OE2 3.54Å; K255-E258 PolarHBondContact NZ-OE2 2.86Å; K255-F259 VanDerWaalsContact O-CB 3.26Å; K255-F259 WeakPolarHBondContact O-CB 3.24Å; K255-F259 PolarHBondContact O-N 2.8Å; K255-T550 HydrophobicContact CD-CG2 4.35Å; K255-T550 HydrophobicContact CG-CG2 4.22Å; K255-Y553 HydrophobicContact CB-CD1 4.05Å; K255-Y553 HydrophobicContact CB-CE1 4.43Å; K255-M557 HydrophobicContact CB-CE 4.17Å; K255-M557 WeakPolarHBondContact O-CE 3.27Å
256	F	97.7	Very high	96.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-47.4	171.5	-176.5	-98.6	0	0	0	111.6	R252 T254 F259 L260 L307 N308 A311 L318 I321 F322 Y553 M557	R252-F256 WeakPolarHBondContact O-CB 3.34Å; R252-F256 PolarHBondContact O-N 3.26Å; T254-F256 VanDerWaalsContact C-N 3.27Å; T254-F256 PolarHBondContact O-N 2.66Å; F256-F259 PolarHBondContact O-N 3.5Å; F256-L260 HydrophobicContact CD1-CD1 4.1Å; F256-L260 HydrophobicContact CD1-CG 4.42Å; F256-L260 HydrophobicContact CE1-CD1 3.52Å; F256-L260 HydrophobicContact CE1-CG 4.1Å; F256-L260 HydrophobicContact CZ-CD1 3.98Å; F256-L260 HydrophobicContact CZ-CD2 4.35Å; F256-L260 HydrophobicContact CZ-CG 4.29Å; F256-L260 WeakPolarHBondContact O-CG 3.43Å; F256-L260 PolarHBondContact O-N 3.02Å; F256-L307 HydrophobicContact CE1-CB 3.95Å; F256-L307 HydrophobicContact CZ-CB 4.27Å; F256-N308 HydrophobicContact CD1-CB 3.96Å; F256-N308 HydrophobicContact CE1-CB 4.21Å; F256-A311 HydrophobicContact CD2-CB 4.26Å; F256-A311 HydrophobicContact CE1-CB 4.49Å; F256-A311 HydrophobicContact CE2-CB 3.72Å; F256-A311 HydrophobicContact CZ-CB 3.85Å; F256-L318 HydrophobicContact CD2-CD2 4.3Å; F256-L318 HydrophobicContact CE2-CD2 3.72Å; F256-I321 HydrophobicContact CZ-CG2 4.47Å; F256-F322 AromaticContact CE2-CE1 3.8Å; F256-F322 HydrophobicContact CE2-CE1 3.8Å; F256-F322 HydrophobicContact CE2-CZ 4.17Å; F256-F322 HydrophobicContact CZ-CE1 4.3Å; F256-Y553 HydrophobicContact CB-CE1 4.22Å; F256-M557 HydrophobicContact CB-SD 4.37Å; F256-M557 HydrophobicContact CD2-SD 4.1Å
257	E	96.6	Very high	95.9	Very high	3 Å²	3	41.2 Å²	41.2	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-45.2	177.5	-61.2	-57.8	158.7	0	0	112.2	T254 F259 L260 A261 R269 G271 L272 E273 N308	T254-E257 PolarHBondContact O-N 2.69Å; E257-F259 VanDerWaalsContact C-N 3.25Å; E257-F259 PolarHBondContact O-N 3.31Å; E257-L260 PolarHBondContact O-N 3.32Å; E257-A261 WeakPolarHBondContact O-CB 3.3Å; E257-A261 PolarHBondContact O-N 2.86Å; E257-R269 IonicContact OE2-NE 3.98Å; E257-G271 VanDerWaalsContact OE2-CA 3.23Å; E257-G271 WeakPolarHBondContact OE2-CA 3.45Å; E257-L272 VanDerWaalsContact CD-N 3.3Å; E257-L272 HydrophobicContact CG-CB 4.13Å; E257-L272 WeakPolarHBondContact OE1-CB 3.31Å; E257-L272 PolarHBondContact OE1-N 3.39Å; E257-E273 HydrophobicContact CB-CG 3.84Å; E257-E273 HydrophobicContact CG-CG 4.29Å; E257-N308 WeakPolarHBondContact OE1-CB 3.43Å; E257-N308 PolarHBondContact OE1-ND2 3.34Å
258	E	96.2	Very high	95.5	Very high	90 Å²	90	46 Å²	46	42%	0.421	22%	0.224	S	C	.	.	H	α-helix	trans	-58	-39.2	175.4	-71.3	177.2	-157	0	0	112.1	T254 K255 A261 K262	T254-E258 PolarHBondContact O-N 3.37Å; T254-E258 VanDerWaalsContact O-N 3.13Å; K255-E258 WeakPolarHBondContact CD-OE2 3.41Å; K255-E258 IonicContact NZ-OE1 3.39Å; K255-E258 PolarHBondContact NZ-OE1 3.47Å; K255-E258 IonicContact NZ-OE2 3.54Å; K255-E258 PolarHBondContact NZ-OE2 2.86Å; E258-A261 PolarHBondContact O-N 2.97Å; E258-K262 WeakPolarHBondContact O-CB 3.37Å; E258-K262 PolarHBondContact O-N 3.44Å
259	F	96.9	Very high	95.2	Very high	13 Å²	13	43.1 Å²	43.1	6%	0.057	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-46.9	178.5	-172.6	-91.7	0	0	0	111.5	K255 F256 E257 A261 K262 K263 F322 M557 Y561	K255-F259 VanDerWaalsContact O-CB 3.26Å; K255-F259 WeakPolarHBondContact O-CB 3.24Å; K255-F259 PolarHBondContact O-N 2.8Å; F256-F259 PolarHBondContact O-N 3.5Å; E257-F259 VanDerWaalsContact C-N 3.25Å; E257-F259 PolarHBondContact O-N 3.31Å; F259-A261 VanDerWaalsContact C-N 3.34Å; F259-A261 PolarHBondContact O-N 2.96Å; F259-K262 PolarHBondContact O-N 3.32Å; F259-K263 HydrophobicContact CD1-CG 4.1Å; F259-K263 HydrophobicContact CE1-CG 3.74Å; F259-K263 HydrophobicContact CE2-CG 4.31Å; F259-K263 HydrophobicContact CZ-CD 4.33Å; F259-K263 HydrophobicContact CZ-CG 3.85Å; F259-K263 WeakPolarHBondContact O-CG 3.45Å; F259-K263 PolarHBondContact O-N 3.36Å; F259-F322 HydrophobicContact CD1-CZ 4.03Å; F259-F322 AromaticContact CE1-CE2 3.95Å; F259-F322 HydrophobicContact CE1-CE2 3.95Å; F259-F322 AromaticContact CE1-CZ 3.89Å; F259-F322 HydrophobicContact CE1-CZ 3.89Å; F259-M557 HydrophobicContact CB-CE 3.8Å; F259-M557 HydrophobicContact CB-SD 3.72Å; F259-M557 HydrophobicContact CD1-CB 4.15Å; F259-M557 HydrophobicContact CD1-SD 4.31Å; F259-M557 HydrophobicContact CD2-CB 3.93Å; F259-M557 HydrophobicContact CD2-CE 4.09Å; F259-M557 HydrophobicContact CD2-SD 4.39Å; F259-M557 HydrophobicContact CE1-CB 4.09Å; F259-M557 HydrophobicContact CE2-CB 3.87Å; F259-M557 HydrophobicContact CG-CB 4.07Å; F259-M557 HydrophobicContact CG-CE 4.08Å; F259-M557 HydrophobicContact CG-SD 3.9Å; F259-M557 HydrophobicContact CZ-CB 3.95Å; F259-M557 WeakPolarHBondContact CZ-O 3.37Å; F259-Y561 HydrophobicContact CE1-CD2 4.44Å; F259-Y561 HydrophobicContact CE1-CG 4.46Å; F259-Y561 HydrophobicContact CZ-CG 4.17Å
260	L	95.6	Very high	95	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-45.9	175.3	-67.1	-172.4	0	0	0	111.2	F256 E257 K262 K263 W264 L307 F322 F325	F256-L260 HydrophobicContact CD1-CD1 4.1Å; F256-L260 HydrophobicContact CD1-CG 4.42Å; F256-L260 HydrophobicContact CE1-CD1 3.52Å; F256-L260 HydrophobicContact CE1-CG 4.1Å; F256-L260 HydrophobicContact CZ-CD1 3.98Å; F256-L260 HydrophobicContact CZ-CD2 4.35Å; F256-L260 HydrophobicContact CZ-CG 4.29Å; F256-L260 WeakPolarHBondContact O-CG 3.43Å; F256-L260 PolarHBondContact O-N 3.02Å; E257-L260 PolarHBondContact O-N 3.32Å; L260-K262 VanDerWaalsContact C-N 3.27Å; L260-K262 PolarHBondContact O-N 2.97Å; L260-K263 PolarHBondContact O-N 2.78Å; L260-W264 HydrophobicContact CD2-CE3 3.83Å; L260-W264 HydrophobicContact CD2-CZ3 3.55Å; L260-W264 PolarHBondContact O-N 3.08Å; L260-L307 HydrophobicContact CD1-CD1 4.02Å; L260-F322 HydrophobicContact CD2-CD1 4.2Å; L260-F322 HydrophobicContact CD2-CE1 3.81Å; L260-F325 HydrophobicContact CD1-CZ 4.22Å; L260-F325 HydrophobicContact CD2-CE2 4.11Å; L260-F325 HydrophobicContact CD2-CZ 3.97Å
261	A	94.6	Very high	94.8	Very high	29 Å²	29	44 Å²	44	24%	0.24	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-39.4	178.3	0	0	0	0	0	112.6	E257 E258 F259 P265 R269	E257-A261 WeakPolarHBondContact O-CB 3.3Å; E257-A261 PolarHBondContact O-N 2.86Å; E258-A261 PolarHBondContact O-N 2.97Å; F259-A261 VanDerWaalsContact C-N 3.34Å; F259-A261 PolarHBondContact O-N 2.96Å; A261-P265 WeakPolarHBondContact O-CA 3.47Å; A261-R269 VanDerWaalsContact CB-NH2 3.33Å
262	K	95.8	Very high	94.7	Very high	168 Å²	168	43.9 Å²	43.9	73%	0.73	22%	0.217	S	C	*	.	H	α-helix	trans	-73.3	-41.8	180	-175.9	179.3	179.1	-177.4	0	112.7	E258 F259 L260	E258-K262 WeakPolarHBondContact O-CB 3.37Å; E258-K262 PolarHBondContact O-N 3.44Å; F259-K262 PolarHBondContact O-N 3.32Å; L260-K262 VanDerWaalsContact C-N 3.27Å; L260-K262 PolarHBondContact O-N 2.97Å
263	K	95.5	Very high	94.7	Very high	54 Å²	54	40.6 Å²	40.6	24%	0.235	21%	0.205	C	C	.	.	H	α-helix	trans	-81.7	-35.7	-175.2	-67.4	-66	-172.2	164.6	0	112.7	F259 L260 E558 Y561	F259-K263 HydrophobicContact CD1-CG 4.1Å; F259-K263 HydrophobicContact CE1-CG 3.74Å; F259-K263 HydrophobicContact CE2-CG 4.31Å; F259-K263 HydrophobicContact CZ-CD 4.33Å; F259-K263 HydrophobicContact CZ-CG 3.85Å; F259-K263 WeakPolarHBondContact O-CG 3.45Å; F259-K263 PolarHBondContact O-N 3.36Å; L260-K263 PolarHBondContact O-N 2.78Å; K263-E558 IonicContact NZ-OE1 2.8Å; K263-E558 PolarHBondContact NZ-OE1 3.02Å; K263-E558 IonicContact NZ-OE2 2.91Å; K263-Y561 HydrophobicContact CB-CE2 4.19Å; K263-Y561 HydrophobicContact CD-CD1 4.4Å; K263-Y561 HydrophobicContact CD-CD2 4.12Å; K263-Y561 HydrophobicContact CD-CE1 4.15Å; K263-Y561 HydrophobicContact CD-CE2 3.83Å; K263-Y561 HydrophobicContact CD-CG 4.4Å; K263-Y561 HydrophobicContact CG-CD2 4.18Å; K263-Y561 HydrophobicContact CG-CE2 4.13Å
264	W	94.1	Very high	94.6	Very high	25 Å²	25	40.7 Å²	40.7	10%	0.095	21%	0.206	C	C	.	.			trans	-131	67.2	-178	-58.6	-80.7	0	0	0	112	L260 S266 E267 F322 F325 Y561	L260-W264 HydrophobicContact CD2-CE3 3.83Å; L260-W264 HydrophobicContact CD2-CZ3 3.55Å; L260-W264 PolarHBondContact O-N 3.08Å; W264-S266 VanDerWaalsContact C-N 3.25Å; W264-S266 PolarHBondContact O-N 3.15Å; W264-E267 HydrophobicContact CB-CB 3.87Å; W264-E267 HydrophobicContact CB-CG 3.88Å; W264-E267 HydrophobicContact CG-CG 4.46Å; W264-E267 PolarHBondContact O-N 3.29Å; W264-F322 HydrophobicContact CH2-CB 3.85Å; W264-F322 AromaticContact CH2-CD1 3.89Å; W264-F322 HydrophobicContact CH2-CD1 3.89Å; W264-F322 AromaticContact CH2-CG 3.85Å; W264-F322 HydrophobicContact CH2-CG 3.85Å; W264-F322 HydrophobicContact CZ2-CB 4.45Å; W264-F322 HydrophobicContact CZ3-CD1 4.05Å; W264-F322 HydrophobicContact CZ3-CE1 4.44Å; W264-F322 HydrophobicContact CZ3-CG 4.45Å; W264-F325 HydrophobicContact CB-CD1 3.9Å; W264-F325 HydrophobicContact CB-CE1 4.28Å; W264-F325 HydrophobicContact CD2-CB 3.83Å; W264-F325 AromaticContact CD2-CD1 3.63Å; W264-F325 HydrophobicContact CD2-CD1 3.63Å; W264-F325 HydrophobicContact CD2-CD2 4.47Å; W264-F325 HydrophobicContact CD2-CE1 4.29Å; W264-F325 AromaticContact CD2-CG 3.74Å; W264-F325 HydrophobicContact CD2-CG 3.74Å; W264-F325 AromaticContact CE2-CG 3.79Å; W264-F325 AromaticContact CE3-CD1 3.98Å; W264-F325 HydrophobicContact CE3-CD1 3.98Å; W264-F325 HydrophobicContact CE3-CD2 4.4Å; W264-F325 HydrophobicContact CE3-CE1 4.22Å; W264-F325 HydrophobicContact CE3-CG 4.08Å; W264-F325 HydrophobicContact CG-CB 4.07Å; W264-F325 AromaticContact CG-CD1 3.6Å; W264-F325 HydrophobicContact CG-CD1 3.6Å; W264-F325 HydrophobicContact CG-CE1 4.34Å; W264-F325 HydrophobicContact CG-CG 4.09Å; W264-F325 HydrophobicContact CH2-CB 4.48Å; W264-F325 HydrophobicContact CH2-CD2 4.4Å; W264-F325 HydrophobicContact CH2-CG 4.45Å; W264-F325 HydrophobicContact CZ2-CB 3.74Å; W264-F325 HydrophobicContact CZ2-CD2 4.46Å; W264-F325 HydrophobicContact CZ2-CG 4.14Å; W264-F325 HydrophobicContact CZ3-CD2 4.39Å; W264-F325 HydrophobicContact CZ3-CG 4.43Å; W264-Y561 AromaticContact CH2-CD2 3.64Å; W264-Y561 HydrophobicContact CH2-CD2 3.64Å; W264-Y561 AromaticContact CH2-CE2 3.96Å; W264-Y561 HydrophobicContact CH2-CE2 3.96Å; W264-Y561 AromaticContact CZ2-CD2 3.8Å; W264-Y561 HydrophobicContact CZ2-CD2 3.8Å; W264-Y561 AromaticContact CZ2-CE2 3.66Å; W264-Y561 HydrophobicContact CZ2-CE2 3.66Å; W264-Y561 HydrophobicContact CZ3-CD2 4.5Å
265	P	92.5	Very high	94.7	Very high	86 Å²	86	40.5 Å²	40.5	56%	0.558	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.6	-175	26.4	-35.6	0	0	0	114.1	A261	A261-P265 WeakPolarHBondContact O-CA 3.47Å
266	S	89.9	Confident	94.7	Very high	85 Å²	85	38.6 Å²	38.6	59%	0.594	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-8	179	55.7	0	0	0	0	113.9	W264	W264-S266 VanDerWaalsContact C-N 3.25Å; W264-S266 PolarHBondContact O-N 3.15Å
267	E	90.2	Very high	94.7	Very high	67 Å²	67	38.6 Å²	38.6	31%	0.313	20%	0.197	S	C	.	.	S	Bend	trans	-89.9	132.2	-176.4	-75.8	-69.2	130.7	0	0	110.7	W264 R269 F325 K339	W264-E267 HydrophobicContact CB-CB 3.87Å; W264-E267 HydrophobicContact CB-CG 3.88Å; W264-E267 HydrophobicContact CG-CG 4.46Å; W264-E267 PolarHBondContact O-N 3.29Å; E267-R269 PolarHBondContact O-N 3.45Å; E267-F325 HydrophobicContact CB-CD1 4.12Å; E267-F325 HydrophobicContact CB-CE1 4.15Å; E267-F325 HydrophobicContact CG-CD1 4.06Å; E267-K339 IonicContact OE2-NZ 3.92Å; E267-K339 PolarHBondContact OE2-NZ 3.08Å
268	K	90.3	Very high	94.8	Very high	101 Å²	101	38.5 Å²	38.5	44%	0.439	20%	0.196	S	C	.	.			trans	-67.4	128.3	169.9	-63.1	-176.4	-179.6	178.8	0	108.5	F270 Y340 N505	K268-F270 HydrophobicContact CB-CE2 4.38Å; K268-Y340 WeakPolarHBondContact O-CE2 3.4Å; K268-Y340 VanDerWaalsContact O-CZ 3.22Å; K268-Y340 PolarHBondContact O-OH 3.32Å; K268-N505 HydrophobicContact CB-CB 4.3Å; K268-N505 HydrophobicContact CD-CB 3.94Å; K268-N505 WeakPolarHBondContact CE-OD1 3.23Å; K268-N505 HydrophobicContact CG-CB 3.93Å
269	R	90.5	Very high	94.9	Very high	12 Å²	12	34.2 Å²	34.2	5%	0.045	18%	0.176	C	C	.	.			trans	-125.2	-15.2	178.3	69.3	178.1	-177.8	-74.1	-7.1	118.3	E257 A261 E267 G271 E273 Y340 E506	E257-R269 IonicContact OE2-NE 3.98Å; A261-R269 VanDerWaalsContact CB-NH2 3.33Å; E267-R269 PolarHBondContact O-N 3.45Å; R269-G271 PolarHBondContact O-N 3.22Å; R269-E273 IonicContact CZ-OE1 3.85Å; R269-E273 IonicContact NE-OE1 2.73Å; R269-E273 IonicContact NH2-OE1 2.95Å; R269-E273 PolarHBondContact NH2-OE1 2.93Å; R269-Y340 WeakPolarHBondContact CA-OH 3.43Å; R269-Y340 HydrophobicContact CB-CE1 4.2Å; R269-Y340 WeakPolarHBondContact CB-OH 3.37Å; R269-Y340 WeakPolarHBondContact O-CD1 3.32Å; R269-Y340 WeakPolarHBondContact O-CE1 3.41Å; R269-E506 VanDerWaalsContact CG-CD 3.43Å; R269-E506 HydrophobicContact CG-CG 4.21Å; R269-E506 VanDerWaalsContact CG-OE1 3.27Å; R269-E506 WeakPolarHBondContact CG-OE1 3.23Å; R269-E506 PolarHBondContact N-OE2 2.83Å
270	F	93.4	Very high	95	Very high	40 Å²	40	33.6 Å²	33.6	18%	0.175	17%	0.174	C	C	.	.			trans	50.1	46.9	-178	-52.8	-80.7	0	0	0	111	K268 H303 R304 G305 Y340 H504 N505 E506	K268-F270 HydrophobicContact CB-CE2 4.38Å; F270-H303 HydrophobicContact CB-CB 4.08Å; F270-H303 AromaticContact CD1-CD2 3.44Å; F270-H303 VanDerWaalsContact CD1-CD2 3.44Å; F270-H303 WeakPolarHBondContact CD1-CD2 3.37Å; F270-H303 AromaticContact CD1-CG 3.98Å; F270-H303 AromaticContact CD1-NE2 3.85Å; F270-H303 HydrophobicContact CD2-CB 3.96Å; F270-H303 HydrophobicContact CG-CB 3.96Å; F270-H303 AromaticContact CG-CD2 3.53Å; F270-H303 AromaticContact CG-CG 3.86Å; F270-R304 WeakPolarHBondContact O-CA 3.18Å; F270-G305 PolarHBondContact O-N 3.26Å; F270-Y340 HydrophobicContact CD2-CD1 4.36Å; F270-Y340 AromaticContact CD2-CD2 3.84Å; F270-Y340 HydrophobicContact CD2-CD2 3.84Å; F270-Y340 HydrophobicContact CD2-CE2 4.14Å; F270-Y340 HydrophobicContact CD2-CG 4.01Å; F270-Y340 HydrophobicContact CE2-CD2 4.05Å; F270-Y340 HydrophobicContact CE2-CE2 4.42Å; F270-H504 WeakPolarHBondContact CD1-O 3.24Å; F270-N505 HydrophobicContact CE1-CB 4.18Å; F270-E506 WeakPolarHBondContact CA-OE1 3.3Å; F270-E506 PolarHBondContact N-OE1 3.4Å; F270-E506 PolarHBondContact N-OE2 3.44Å
271	G	92.7	Very high	95.1	Very high	4 Å²	4	33.6 Å²	33.6	4%	0.041	17%	0.173	C	C	.	.			trans	-62	167.2	-169.5	0	0	0	0	0	113.1	E257 R269 E273 R304 E506	E257-G271 VanDerWaalsContact OE2-CA 3.23Å; E257-G271 WeakPolarHBondContact OE2-CA 3.45Å; R269-G271 PolarHBondContact O-N 3.22Å; G271-E273 VanDerWaalsContact C-N 3.35Å; G271-E273 VanDerWaalsContact CA-OE2 3.24Å; G271-E273 WeakPolarHBondContact CA-OE2 3.32Å; G271-R304 VanDerWaalsContact O-CD 3.3Å; G271-R304 WeakPolarHBondContact O-CD 3.2Å; G271-R304 PolarHBondContact O-NE 3.32Å; G271-E506 PolarHBondContact N-OE1 3.02Å
272	L	96.5	Very high	95.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.			trans	-90.3	4.2	-175.4	-166.9	57	0	0	0	113.3	E257 G274 C275 E276 L278 I279 N308	E257-L272 VanDerWaalsContact CD-N 3.3Å; E257-L272 HydrophobicContact CG-CB 4.13Å; E257-L272 WeakPolarHBondContact OE1-CB 3.31Å; E257-L272 PolarHBondContact OE1-N 3.39Å; L272-G274 PolarHBondContact O-N 3.42Å; L272-C275 HydrophobicContact CD1-CB 3.93Å; L272-C275 WeakPolarHBondContact CD1-O 3.33Å; L272-C275 WeakPolarHBondContact CG-O 3.4Å; L272-C275 CarbonylContact O-C 3.44Å; L272-C275 PolarHBondContact O-N 3.42Å; L272-E276 PolarHBondContact O-N 3.26Å; L272-L278 HydrophobicContact CD1-CB 4.02Å; L272-L278 HydrophobicContact CD1-CD2 3.64Å; L272-L278 HydrophobicContact CD1-CG 4.47Å; L272-L278 HydrophobicContact CD2-CB 4.03Å; L272-L278 HydrophobicContact CD2-CD2 4.31Å; L272-I279 HydrophobicContact CD2-CD1 4.07Å; L272-I279 HydrophobicContact CD2-CG1 3.7Å; L272-N308 HydrophobicContact CD2-CB 4.4Å
273	E	97.1	Very high	95.4	Very high	20 Å²	20	24.9 Å²	24.9	9%	0.093	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	123	-174.5	-55.8	97.2	142.7	0	0	111.7	E257 R269 G271 E276 R304 R501 H502	E257-E273 HydrophobicContact CB-CG 3.84Å; E257-E273 HydrophobicContact CG-CG 4.29Å; R269-E273 IonicContact CZ-OE1 3.85Å; R269-E273 IonicContact NE-OE1 2.73Å; R269-E273 IonicContact NH2-OE1 2.95Å; R269-E273 PolarHBondContact NH2-OE1 2.93Å; G271-E273 VanDerWaalsContact C-N 3.35Å; G271-E273 VanDerWaalsContact CA-OE2 3.24Å; G271-E273 WeakPolarHBondContact CA-OE2 3.32Å; E273-E276 WeakPolarHBondContact CA-OE1 3.49Å; E273-R304 PolarHBondContact O-NH2 2.96Å; E273-R501 HydrophobicContact CB-CB 3.48Å; E273-R501 VanDerWaalsContact CB-CB 3.48Å; E273-R501 HydrophobicContact CB-CG 3.89Å; E273-R501 WeakPolarHBondContact O-CB 3.17Å; E273-R501 PolarHBondContact O-N 2.8Å; E273-H502 IonicContact OE1-CD2 2.68Å; E273-H502 IonicContact OE1-NE2 3.65Å; E273-H502 IonicContact OE2-CD2 2.91Å
274	G	96.8	Very high	95.5	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.021	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	-0.3	-170.3	0	0	0	0	0	115.5	L272 E276 C498 Y499	L272-G274 PolarHBondContact O-N 3.42Å; G274-E276 WeakPolarHBondContact CA-OE2 3.34Å; G274-E276 VanDerWaalsContact N-CD 3.32Å; G274-E276 PolarHBondContact N-OE1 3.06Å; G274-E276 PolarHBondContact N-OE2 3.44Å; G274-C498 VanDerWaalsContact O-CB 3.29Å; G274-C498 WeakPolarHBondContact O-CB 3.33Å; G274-Y499 CarbonylContact C-O 3.59Å; G274-Y499 PolarHBondContact O-N 2.87Å
275	C	98	Very high	95.7	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.014	13%	0.125	C	C	.	.			trans	-145.9	35.6	171.4	-162.2	0	0	0	0	111.9	L272 V277 L278 V433 C498	L272-C275 HydrophobicContact CD1-CB 3.93Å; L272-C275 WeakPolarHBondContact CD1-O 3.33Å; L272-C275 WeakPolarHBondContact CG-O 3.4Å; L272-C275 CarbonylContact O-C 3.44Å; L272-C275 PolarHBondContact O-N 3.42Å; C275-V277 PolarHBondContact O-N 3.11Å; C275-L278 WeakPolarHBondContact O-CB 2.92Å; C275-L278 PolarHBondContact O-N 3.17Å; C275-V433 HydrophobicContact CB-CG1 4.13Å; C275-C498 HydrophobicContact CB-CB 3.82Å; C275-C498 WeakPolarHBondContact CB-SG 3.47Å
276	E	98.1	Very high	96	Very high	9 Å²	9	19.2 Å²	19.2	4%	0.042	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.6	-174.2	-60.6	90.7	153.5	0	0	112.9	S253 L272 E273 G274 L278 P280 V527	S253-E276 VanDerWaalsContact CB-O 3.27Å; S253-E276 WeakPolarHBondContact CB-O 3.45Å; S253-E276 WeakPolarHBondContact OG-CA 3.2Å; S253-E276 PolarHBondContact OG-O 3.11Å; L272-E276 PolarHBondContact O-N 3.26Å; E273-E276 WeakPolarHBondContact CA-OE1 3.49Å; G274-E276 WeakPolarHBondContact CA-OE2 3.34Å; G274-E276 VanDerWaalsContact N-CD 3.32Å; G274-E276 PolarHBondContact N-OE1 3.06Å; G274-E276 PolarHBondContact N-OE2 3.44Å; E276-L278 PolarHBondContact O-N 3.25Å; E276-P280 WeakPolarHBondContact O-CD 3.48Å; E276-V527 HydrophobicContact CB-CG1 3.99Å
277	V	98.2	Very high	96.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.6	173.8	78.7	0	0	0	0	113.5	L250 C275 I279 P280 A281 A468 P471 V474 M475	L250-V277 HydrophobicContact CD2-CB 4.49Å; C275-V277 PolarHBondContact O-N 3.11Å; V277-I279 PolarHBondContact O-N 3.39Å; V277-P280 WeakPolarHBondContact O-CD 3.47Å; V277-A281 WeakPolarHBondContact O-CB 3.39Å; V277-A281 PolarHBondContact O-N 3.18Å; V277-A468 HydrophobicContact CG1-CB 3.78Å; V277-A468 WeakPolarHBondContact CG1-O 3.43Å; V277-P471 HydrophobicContact CG2-CB 3.83Å; V277-V474 HydrophobicContact CG1-CG1 4.44Å; V277-V474 HydrophobicContact CG1-CG2 4.21Å; V277-V474 HydrophobicContact CG2-CB 3.9Å; V277-V474 HydrophobicContact CG2-CG1 3.92Å; V277-V474 HydrophobicContact CG2-CG2 3.97Å; V277-M475 HydrophobicContact CG2-CE 4.41Å
278	L	98.4	Very high	96.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-56.1	-36.7	178.7	176.5	65.1	0	0	0	112.3	L272 C275 E276 A281 M282 I309 L399 I431 V433 L496	L272-L278 HydrophobicContact CD1-CB 4.02Å; L272-L278 HydrophobicContact CD1-CD2 3.64Å; L272-L278 HydrophobicContact CD1-CG 4.47Å; L272-L278 HydrophobicContact CD2-CB 4.03Å; L272-L278 HydrophobicContact CD2-CD2 4.31Å; C275-L278 WeakPolarHBondContact O-CB 2.92Å; C275-L278 PolarHBondContact O-N 3.17Å; E276-L278 PolarHBondContact O-N 3.25Å; L278-A281 WeakPolarHBondContact O-CB 3.18Å; L278-A281 PolarHBondContact O-N 3.33Å; L278-M282 HydrophobicContact CD1-CG 4.14Å; L278-M282 HydrophobicContact CG-CG 4.45Å; L278-M282 WeakPolarHBondContact O-CB 3.41Å; L278-M282 VanDerWaalsContact O-CG 3.32Å; L278-M282 WeakPolarHBondContact O-CG 3.17Å; L278-M282 PolarHBondContact O-N 3.24Å; L278-I309 HydrophobicContact CD2-CD1 4.21Å; L278-I309 HydrophobicContact CG-CD1 4.39Å; L278-L399 HydrophobicContact CD1-CD2 3.91Å; L278-L399 HydrophobicContact CD2-CD2 4.03Å; L278-L399 HydrophobicContact CG-CD2 4.4Å; L278-I431 HydrophobicContact CD1-CD1 4.43Å; L278-I431 HydrophobicContact CD1-CG2 3.86Å; L278-V433 HydrophobicContact CD1-CG2 4.29Å; L278-V433 HydrophobicContact CD2-CG2 3.93Å; L278-L496 HydrophobicContact CB-CD1 4.43Å; L278-L496 HydrophobicContact CD1-CD1 3.83Å
279	I	98.4	Very high	97	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-68.2	-51	179	-58.7	-59.7	0	0	0	111.6	S253 L272 V277 A281 K283 N308 I309 N312 V313	S253-I279 WeakPolarHBondContact OG-CG1 3.49Å; L272-I279 HydrophobicContact CD2-CD1 4.07Å; L272-I279 HydrophobicContact CD2-CG1 3.7Å; V277-I279 PolarHBondContact O-N 3.39Å; I279-A281 VanDerWaalsContact C-N 3.28Å; I279-A281 PolarHBondContact O-N 3.25Å; I279-K283 HydrophobicContact CG2-CD 4.34Å; I279-K283 WeakPolarHBondContact O-CG 3.18Å; I279-K283 PolarHBondContact O-N 2.8Å; I279-N308 HydrophobicContact CD1-CB 3.92Å; I279-N308 WeakPolarHBondContact CD1-OD1 3.45Å; I279-N308 HydrophobicContact CG1-CB 4.4Å; I279-N308 WeakPolarHBondContact CG1-OD1 3.24Å; I279-I309 HydrophobicContact CD1-CB 4.49Å; I279-I309 HydrophobicContact CD1-CG1 3.68Å; I279-N312 HydrophobicContact CG2-CB 3.73Å; I279-V313 HydrophobicContact CD1-CG2 4.01Å; I279-V313 HydrophobicContact CG2-CG2 4.24Å
280	P	98.2	Very high	97.4	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-50.3	-45.6	166	-25.4	27	0	0	0	114.1	L246 R249 L250 E276 V277 K283 Q284 M475	L246-P280 HydrophobicContact CD1-CB 3.52Å; L246-P280 HydrophobicContact CD1-CG 3.93Å; R249-P280 HydrophobicContact CB-CB 4.18Å; R249-P280 HydrophobicContact CB-CG 3.77Å; L250-P280 HydrophobicContact CD2-CG 3.78Å; L250-P280 HydrophobicContact CG-CG 3.94Å; E276-P280 WeakPolarHBondContact O-CD 3.48Å; V277-P280 WeakPolarHBondContact O-CD 3.47Å; P280-K283 PolarHBondContact O-N 3.47Å; P280-Q284 WeakPolarHBondContact O-CB 3.41Å; P280-Q284 PolarHBondContact O-N 3.35Å; P280-M475 HydrophobicContact CB-CE 3.64Å; P280-M475 HydrophobicContact CB-SD 3.96Å
281	A	98.5	Very high	97.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.2	-52.1	-176.1	0	0	0	0	0	111.6	V277 L278 I279 K283 Q284 I285 V474 M475 C478	V277-A281 WeakPolarHBondContact O-CB 3.39Å; V277-A281 PolarHBondContact O-N 3.18Å; L278-A281 WeakPolarHBondContact O-CB 3.18Å; L278-A281 PolarHBondContact O-N 3.33Å; I279-A281 VanDerWaalsContact C-N 3.28Å; I279-A281 PolarHBondContact O-N 3.25Å; A281-K283 VanDerWaalsContact C-N 3.3Å; A281-K283 PolarHBondContact O-N 3.16Å; A281-Q284 WeakPolarHBondContact O-CB 3.19Å; A281-Q284 PolarHBondContact O-N 2.98Å; A281-Q284 VanDerWaalsContact O-N 3.11Å; A281-I285 WeakPolarHBondContact O-CG1 3.14Å; A281-I285 PolarHBondContact O-N 3.36Å; A281-V474 HydrophobicContact CB-CG1 3.74Å; A281-M475 HydrophobicContact CB-CE 4.36Å; A281-C478 VanDerWaalsContact CB-SG 3.53Å
282	M	98.3	Very high	97.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-56.4	-44.1	175.9	-75.5	-65.1	-67.7	0	0	112.3	L278 Q284 I285 I286 I299 I309 V313 I397 L399 I431	L278-M282 HydrophobicContact CD1-CG 4.14Å; L278-M282 HydrophobicContact CG-CG 4.45Å; L278-M282 WeakPolarHBondContact O-CB 3.41Å; L278-M282 VanDerWaalsContact O-CG 3.32Å; L278-M282 WeakPolarHBondContact O-CG 3.17Å; L278-M282 PolarHBondContact O-N 3.24Å; M282-Q284 VanDerWaalsContact C-N 3.33Å; M282-Q284 PolarHBondContact O-N 3.21Å; M282-I285 PolarHBondContact O-N 3.02Å; M282-I286 WeakPolarHBondContact O-CB 3.44Å; M282-I286 WeakPolarHBondContact O-CD1 3.46Å; M282-I286 VanDerWaalsContact O-CG1 3.3Å; M282-I286 WeakPolarHBondContact O-CG1 3.5Å; M282-I286 PolarHBondContact O-N 3.47Å; M282-I299 HydrophobicContact CE-CD1 3.73Å; M282-I299 HydrophobicContact CE-CG1 4.4Å; M282-I299 HydrophobicContact CE-CG2 4.44Å; M282-I309 HydrophobicContact CE-CD1 4.3Å; M282-I309 HydrophobicContact CG-CD1 3.81Å; M282-I309 HydrophobicContact SD-CD1 4.4Å; M282-V313 HydrophobicContact CB-CG1 4.13Å; M282-V313 HydrophobicContact CB-CG2 3.85Å; M282-I397 HydrophobicContact CE-CB 4.49Å; M282-I397 HydrophobicContact CE-CD1 4.13Å; M282-I397 HydrophobicContact CE-CG2 3.95Å; M282-I397 HydrophobicContact SD-CG2 3.89Å; M282-L399 HydrophobicContact CE-CD1 3.99Å; M282-L399 HydrophobicContact SD-CD1 3.92Å; M282-L399 HydrophobicContact SD-CD2 4.26Å; M282-L399 HydrophobicContact SD-CG 4.41Å; M282-I431 HydrophobicContact CG-CD1 4.3Å; M282-I431 HydrophobicContact SD-CD1 3.37Å; M282-I431 WeakPolarHBondContact SD-CD1 3.44Å
283	K	97.5	Very high	97.7	Very high	15 Å²	15	17.3 Å²	17.3	7%	0.065	9%	0.089	C	C	.	.	H	α-helix	trans	-68.3	-35.5	179.4	-66.1	179.2	84.7	138.8	0	111.7	R249 I279 P280 A281 I286 D287 N312 V313	R249-K283 HydrophobicContact CG-CD 4.15Å; R249-K283 VanDerWaalsContact NH1-CB 3.3Å; I279-K283 HydrophobicContact CG2-CD 4.34Å; I279-K283 WeakPolarHBondContact O-CG 3.18Å; I279-K283 PolarHBondContact O-N 2.8Å; P280-K283 PolarHBondContact O-N 3.47Å; A281-K283 VanDerWaalsContact C-N 3.3Å; A281-K283 PolarHBondContact O-N 3.16Å; K283-I286 PolarHBondContact O-N 3.3Å; K283-D287 VanDerWaalsContact O-CB 3.28Å; K283-D287 WeakPolarHBondContact O-CB 3.46Å; K283-D287 PolarHBondContact O-N 3.24Å; K283-N312 PolarHBondContact NZ-O 3.33Å; K283-V313 HydrophobicContact CG-CG2 4.22Å
284	Q	97.8	Very high	97.8	Very high	45 Å²	45	16.4 Å²	16.4	21%	0.21	8%	0.084	C	C	.	.	H	α-helix	trans	-65.4	-44.6	176.7	-172	59.9	24.3	0	0	111.8	P280 A281 M282 D287 R288 M475 C478 S479	P280-Q284 WeakPolarHBondContact O-CB 3.41Å; P280-Q284 PolarHBondContact O-N 3.35Å; A281-Q284 WeakPolarHBondContact O-CB 3.19Å; A281-Q284 PolarHBondContact O-N 2.98Å; A281-Q284 VanDerWaalsContact O-N 3.11Å; M282-Q284 VanDerWaalsContact C-N 3.33Å; M282-Q284 PolarHBondContact O-N 3.21Å; Q284-D287 PolarHBondContact O-N 2.94Å; Q284-R288 VanDerWaalsContact O-CB 3.32Å; Q284-R288 WeakPolarHBondContact O-CB 3.43Å; Q284-R288 PolarHBondContact O-N 3.2Å; Q284-M475 HydrophobicContact CB-CE 4.47Å; Q284-M475 HydrophobicContact CB-SD 3.66Å; Q284-M475 HydrophobicContact CG-CB 4.28Å; Q284-M475 HydrophobicContact CG-SD 3.96Å; Q284-C478 HydrophobicContact CB-CB 4.01Å; Q284-C478 HydrophobicContact CG-CB 3.94Å; Q284-S479 PolarHBondContact NE2-OG 3.47Å
285	I	98.4	Very high	97.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58	-51.3	174.6	-66.7	159.9	0	0	0	110.1	A281 M282 D287 R288 A289 I397 I429 I431 C478 A482 I494	A281-I285 WeakPolarHBondContact O-CG1 3.14Å; A281-I285 PolarHBondContact O-N 3.36Å; M282-I285 PolarHBondContact O-N 3.02Å; I285-D287 PolarHBondContact O-N 3.04Å; I285-R288 PolarHBondContact O-N 2.93Å; I285-A289 WeakPolarHBondContact O-CB 3.3Å; I285-A289 PolarHBondContact O-N 2.8Å; I285-I397 HydrophobicContact CG2-CD1 3.93Å; I285-I429 HydrophobicContact CD1-CG2 3.86Å; I285-I429 HydrophobicContact CG2-CG1 4.18Å; I285-I429 HydrophobicContact CG2-CG2 4.41Å; I285-I431 HydrophobicContact CD1-CD1 3.5Å; I285-I431 HydrophobicContact CD1-CG1 4.19Å; I285-C478 HydrophobicContact CD1-CB 4.41Å; I285-C478 HydrophobicContact CG1-CB 3.77Å; I285-A482 HydrophobicContact CG2-CB 4.45Å; I285-I494 HydrophobicContact CD1-CD1 3.97Å
286	I	98.1	Very high	97.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.3	-45.8	-178.6	-71.6	165.6	0	0	0	111.5	M282 K283 S290 F297 V313 I357 I359 I397	M282-I286 WeakPolarHBondContact O-CB 3.44Å; M282-I286 WeakPolarHBondContact O-CD1 3.46Å; M282-I286 VanDerWaalsContact O-CG1 3.3Å; M282-I286 WeakPolarHBondContact O-CG1 3.5Å; M282-I286 PolarHBondContact O-N 3.47Å; K283-I286 PolarHBondContact O-N 3.3Å; I286-S290 WeakPolarHBondContact O-CB 3.44Å; I286-S290 PolarHBondContact O-N 3.15Å; I286-F297 HydrophobicContact CB-CE1 4.36Å; I286-F297 HydrophobicContact CB-CE2 4.49Å; I286-F297 HydrophobicContact CB-CZ 4.23Å; I286-F297 HydrophobicContact CG1-CD1 4Å; I286-F297 HydrophobicContact CG1-CD2 4.44Å; I286-F297 HydrophobicContact CG1-CE1 4.07Å; I286-F297 HydrophobicContact CG1-CG 4.18Å; I286-F297 HydrophobicContact CG1-CZ 4.33Å; I286-F297 HydrophobicContact CG2-CD2 4.23Å; I286-F297 HydrophobicContact CG2-CE2 3.81Å; I286-F297 HydrophobicContact CG2-CZ 3.97Å; I286-V313 HydrophobicContact CD1-CG1 3.52Å; I286-I357 HydrophobicContact CG2-CD1 3.41Å; I286-I357 VanDerWaalsContact CG2-CD1 3.41Å; I286-I359 HydrophobicContact CD1-CD1 4Å; I286-I397 HydrophobicContact CG1-CD1 4.11Å
287	D	97.2	Very high	97.8	Very high	9 Å²	9	17.9 Å²	17.9	5%	0.048	9%	0.092	C	C	.	.	H	α-helix	trans	-64.9	-44.7	-179.3	-69.9	-14.1	0	0	0	111.2	R249 K283 Q284 I285 S290 L291 N350 Q352	R249-D287 IonicContact CZ-OD2 3.42Å; R249-D287 IonicContact NH1-OD2 3.72Å; R249-D287 IonicContact NH2-OD2 3.84Å; R249-D287 PolarHBondContact NH2-OD2 2.95Å; K283-D287 VanDerWaalsContact O-CB 3.28Å; K283-D287 WeakPolarHBondContact O-CB 3.46Å; K283-D287 PolarHBondContact O-N 3.24Å; Q284-D287 PolarHBondContact O-N 2.94Å; I285-D287 PolarHBondContact O-N 3.04Å; D287-S290 PolarHBondContact O-N 3.04Å; D287-L291 WeakPolarHBondContact O-CG 3.29Å; D287-L291 PolarHBondContact O-N 3.14Å; D287-L291 VanDerWaalsContact O-N 3.12Å; D287-N350 PolarHBondContact OD1-ND2 3.04Å; D287-N350 PolarHBondContact OD1-OD1 3.18Å; D287-Q352 HydrophobicContact CB-CB 4.01Å; D287-Q352 HydrophobicContact CB-CG 3.92Å; D287-Q352 WeakPolarHBondContact OD2-CG 3.23Å
288	R	97.6	Very high	97.8	Very high	85 Å²	85	17.9 Å²	17.9	32%	0.321	9%	0.092	S	C	.	.	H	α-helix	trans	-67.6	-46.2	179.4	-169	58.9	169.7	173.1	-0.7	111.8	Q284 I285 S290 L291 L292 A482 E483	Q284-R288 VanDerWaalsContact O-CB 3.32Å; Q284-R288 WeakPolarHBondContact O-CB 3.43Å; Q284-R288 PolarHBondContact O-N 3.2Å; I285-R288 PolarHBondContact O-N 2.93Å; R288-S290 VanDerWaalsContact C-N 3.29Å; R288-S290 PolarHBondContact O-N 3.49Å; R288-L291 WeakPolarHBondContact O-CB 3.39Å; R288-L291 PolarHBondContact O-N 3.03Å; R288-L292 HydrophobicContact CG-CD1 4.43Å; R288-L292 WeakPolarHBondContact O-CG 3.24Å; R288-L292 PolarHBondContact O-N 3.01Å; R288-A482 HydrophobicContact CB-CB 4Å; R288-A482 HydrophobicContact CG-CB 4.08Å; R288-E483 HydrophobicContact CG-CG 4.23Å; R288-E483 IonicContact CZ-OE1 2.75Å; R288-E483 IonicContact NE-OE1 3.86Å; R288-E483 PolarHBondContact NE-OE1 3.24Å; R288-E483 IonicContact NH2-OE1 2.77Å; R288-E483 PolarHBondContact NH2-OE1 3.4Å; R288-E483 IonicContact NH2-OE2 3.64Å
289	A	97.9	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.7	-39.2	175.6	0	0	0	0	0	112.3	I285 L292 G293 V294 F297 M395 A482	I285-A289 WeakPolarHBondContact O-CB 3.3Å; I285-A289 PolarHBondContact O-N 2.8Å; A289-L292 CarbonylContact O-C 3.34Å; A289-L292 WeakPolarHBondContact O-CA 3.49Å; A289-L292 PolarHBondContact O-N 3.37Å; A289-G293 PolarHBondContact O-N 3.45Å; A289-G293 VanDerWaalsContact O-N 3.16Å; A289-V294 HydrophobicContact CB-CB 4.07Å; A289-V294 HydrophobicContact CB-CG2 4.22Å; A289-V294 WeakPolarHBondContact O-CB 3.17Å; A289-V294 PolarHBondContact O-N 3.37Å; A289-F297 HydrophobicContact CB-CE1 3.65Å; A289-F297 HydrophobicContact CB-CZ 3.8Å; A289-M395 HydrophobicContact CB-CE 3.69Å; A289-M395 HydrophobicContact CB-SD 4.1Å; A289-A482 HydrophobicContact CB-CB 4.44Å
290	S	97.7	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-68.3	-36.9	179.6	-173.6	0	0	0	0	113.9	I286 D287 R288 L292 G293 V294 S353 K355 I357	I286-S290 WeakPolarHBondContact O-CB 3.44Å; I286-S290 PolarHBondContact O-N 3.15Å; D287-S290 PolarHBondContact O-N 3.04Å; R288-S290 VanDerWaalsContact C-N 3.29Å; R288-S290 PolarHBondContact O-N 3.49Å; S290-L292 PolarHBondContact O-N 3.28Å; S290-G293 PolarHBondContact O-N 3.21Å; S290-V294 WeakPolarHBondContact CA-O 3.34Å; S290-V294 WeakPolarHBondContact CB-O 3.33Å; S290-V294 PolarHBondContact OG-O 2.91Å; S290-S353 WeakPolarHBondContact OG-CB 3.48Å; S290-S353 PolarHBondContact OG-OG 3.21Å; S290-K355 PolarHBondContact O-NZ 3.02Å; S290-I357 WeakPolarHBondContact OG-CG2 3.44Å
291	L	97.2	Very high	97.8	Very high	86 Å²	86	18 Å²	18	45%	0.45	9%	0.093	S	C	.	.	H	α-helix	trans	-59.4	-35.3	169.1	-74.4	167.4	0	0	0	111.6	D287 R288 G293	D287-L291 WeakPolarHBondContact O-CG 3.29Å; D287-L291 PolarHBondContact O-N 3.14Å; D287-L291 VanDerWaalsContact O-N 3.12Å; R288-L291 WeakPolarHBondContact O-CB 3.39Å; R288-L291 PolarHBondContact O-N 3.03Å; L291-G293 VanDerWaalsContact C-N 3.33Å; L291-G293 PolarHBondContact O-N 2.97Å
292	L	97.1	Very high	97.7	Very high	65 Å²	65	18.6 Å²	18.6	34%	0.34	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	6.4	-179.5	-56.3	169.1	0	0	0	114.5	R288 A289 S290 E483 Q486	R288-L292 HydrophobicContact CG-CD1 4.43Å; R288-L292 WeakPolarHBondContact O-CG 3.24Å; R288-L292 PolarHBondContact O-N 3.01Å; A289-L292 CarbonylContact O-C 3.34Å; A289-L292 WeakPolarHBondContact O-CA 3.49Å; A289-L292 PolarHBondContact O-N 3.37Å; S290-L292 PolarHBondContact O-N 3.28Å; L292-E483 HydrophobicContact CD1-CB 4.44Å; L292-E483 HydrophobicContact CD1-CG 3.85Å; L292-Q486 HydrophobicContact CB-CB 4.36Å; L292-Q486 HydrophobicContact CB-CG 3.86Å; L292-Q486 HydrophobicContact CD1-CB 4.03Å; L292-Q486 HydrophobicContact CD1-CG 4.4Å; L292-Q486 PolarHBondContact O-NE2 3.48Å
293	G	96	Very high	97.6	Very high	25 Å²	25	20.5 Å²	20.5	26%	0.258	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	117.3	-14.6	170.6	0	0	0	0	0	116.1	A289 S290 L291 D295 E392	A289-G293 PolarHBondContact O-N 3.45Å; A289-G293 VanDerWaalsContact O-N 3.16Å; S290-G293 PolarHBondContact O-N 3.21Å; L291-G293 VanDerWaalsContact C-N 3.33Å; L291-G293 PolarHBondContact O-N 2.97Å; G293-D295 PolarHBondContact O-N 3.36Å; G293-E392 CarbonylContact C-O 3.59Å
294	V	97.9	Very high	97.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.			trans	-73.8	123	-177.6	179.2	0	0	0	0	110.9	A289 S290 T296 F297 E392 K393 M395	A289-V294 HydrophobicContact CB-CB 4.07Å; A289-V294 HydrophobicContact CB-CG2 4.22Å; A289-V294 WeakPolarHBondContact O-CB 3.17Å; A289-V294 PolarHBondContact O-N 3.37Å; S290-V294 WeakPolarHBondContact CA-O 3.34Å; S290-V294 WeakPolarHBondContact CB-O 3.33Å; S290-V294 PolarHBondContact OG-O 2.91Å; V294-T296 WeakPolarHBondContact CG1-O 3.5Å; V294-F297 HydrophobicContact CB-CE1 4.35Å; V294-F297 HydrophobicContact CB-CZ 4.02Å; V294-F297 HydrophobicContact CG1-CD1 4.16Å; V294-F297 HydrophobicContact CG1-CE1 3.61Å; V294-F297 HydrophobicContact CG1-CE2 4Å; V294-F297 HydrophobicContact CG1-CZ 3.52Å; V294-E392 WeakPolarHBondContact CG2-O 3.38Å; V294-E392 PolarHBondContact N-O 2.85Å; V294-K393 CarbonylContact C-O 3.58Å; V294-K393 WeakPolarHBondContact CA-O 3.39Å; V294-K393 WeakPolarHBondContact CG1-O 3.38Å; V294-M395 HydrophobicContact CG1-CB 3.68Å; V294-M395 HydrophobicContact CG2-CB 4.37Å; V294-M395 HydrophobicContact CG2-CE 3.92Å
295	D	96.9	Very high	97.4	Very high	41 Å²	41	18.6 Å²	18.6	22%	0.219	10%	0.096	C	C	.	.			trans	-113.3	-8.1	177.1	65.6	33.3	0	0	0	113.1	G293 I357 K358 R386 K393	G293-D295 PolarHBondContact O-N 3.36Å; D295-I357 CarbonylContact O-C 3.48Å; D295-I357 WeakPolarHBondContact O-CA 3.49Å; D295-I357 WeakPolarHBondContact O-CB 3.27Å; D295-K358 PolarHBondContact O-N 2.89Å; D295-R386 IonicContact OD1-CZ 3.49Å; D295-R386 IonicContact OD1-NH1 2.89Å; D295-R386 PolarHBondContact OD1-NH1 3.2Å; D295-R386 IonicContact OD1-NH2 3.99Å; D295-R386 PolarHBondContact OD1-NH2 2.89Å; D295-R386 IonicContact OD2-CZ 3.75Å; D295-R386 IonicContact OD2-NH2 3.35Å; D295-R386 PolarHBondContact OD2-NH2 3.11Å; D295-K393 PolarHBondContact N-O 3.12Å
296	T	97.7	Very high	97.3	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.018	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.5	179.8	-63.8	0	0	0	0	112	V294 K358 R386 K393 V394 M395	V294-T296 WeakPolarHBondContact CG1-O 3.5Å; T296-K358 CarbonylContact C-O 3.48Å; T296-K358 VanDerWaalsContact CA-O 3.31Å; T296-K358 WeakPolarHBondContact CA-O 3.21Å; T296-K358 HydrophobicContact CG2-CB 4.31Å; T296-K358 HydrophobicContact CG2-CD 4.23Å; T296-K358 HydrophobicContact CG2-CG 4.37Å; T296-R386 PolarHBondContact OG1-NH1 2.92Å; T296-K393 PolarHBondContact N-O 3.18Å; T296-V394 HydrophobicContact CG2-CG1 3.98Å; T296-V394 WeakPolarHBondContact O-CA 3.49Å; T296-M395 PolarHBondContact O-N 3.14Å
297	F	98.3	Very high	97.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.4	-179.9	-59.4	-89.7	0	0	0	109.6	I286 A289 V294 I357 K358 I359 S360 M395 I397	I286-F297 HydrophobicContact CB-CE1 4.36Å; I286-F297 HydrophobicContact CB-CE2 4.49Å; I286-F297 HydrophobicContact CB-CZ 4.23Å; I286-F297 HydrophobicContact CG1-CD1 4Å; I286-F297 HydrophobicContact CG1-CD2 4.44Å; I286-F297 HydrophobicContact CG1-CE1 4.07Å; I286-F297 HydrophobicContact CG1-CG 4.18Å; I286-F297 HydrophobicContact CG1-CZ 4.33Å; I286-F297 HydrophobicContact CG2-CD2 4.23Å; I286-F297 HydrophobicContact CG2-CE2 3.81Å; I286-F297 HydrophobicContact CG2-CZ 3.97Å; A289-F297 HydrophobicContact CB-CE1 3.65Å; A289-F297 HydrophobicContact CB-CZ 3.8Å; V294-F297 HydrophobicContact CB-CE1 4.35Å; V294-F297 HydrophobicContact CB-CZ 4.02Å; V294-F297 HydrophobicContact CG1-CD1 4.16Å; V294-F297 HydrophobicContact CG1-CE1 3.61Å; V294-F297 HydrophobicContact CG1-CE2 4Å; V294-F297 HydrophobicContact CG1-CZ 3.52Å; F297-I357 HydrophobicContact CD2-CD1 4.47Å; F297-I357 HydrophobicContact CE2-CB 4.38Å; F297-I357 HydrophobicContact CE2-CD1 4.24Å; F297-I357 HydrophobicContact CE2-CG2 4.43Å; F297-K358 PolarHBondContact N-O 2.97Å; F297-I359 HydrophobicContact CB-CG1 4.4Å; F297-I359 HydrophobicContact CD2-CG1 4.32Å; F297-I359 WeakPolarHBondContact O-CA 3.32Å; F297-S360 PolarHBondContact O-N 3.39Å; F297-M395 CarbonylContact C-O 3.51Å; F297-M395 VanDerWaalsContact CA-O 3.29Å; F297-M395 WeakPolarHBondContact CA-O 3.39Å; F297-M395 HydrophobicContact CD1-CB 4.29Å; F297-M395 HydrophobicContact CD1-SD 4.46Å; F297-M395 HydrophobicContact CE1-CB 4.45Å; F297-M395 HydrophobicContact CE1-SD 4.18Å; F297-I397 HydrophobicContact CD1-CD1 3.91Å; F297-I397 HydrophobicContact CD1-CG1 4.48Å
298	V	98.3	Very high	97.2	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.9	173.4	-168.8	0	0	0	0	108.1	S360 V362 V375 K378 T379 V394 M395 S396 I397	V298-S360 CarbonylContact C-O 3.6Å; V298-S360 WeakPolarHBondContact CA-O 3.32Å; V298-V362 HydrophobicContact CG1-CG2 3.87Å; V298-V375 HydrophobicContact CB-CG1 4.33Å; V298-V375 HydrophobicContact CG1-CG1 3.93Å; V298-K378 HydrophobicContact CG1-CB 4.3Å; V298-K378 HydrophobicContact CG1-CD 3.96Å; V298-K378 HydrophobicContact CG1-CG 3.92Å; V298-K378 HydrophobicContact CG2-CG 4.44Å; V298-T379 WeakPolarHBondContact CB-OG1 3.28Å; V298-V394 HydrophobicContact CG2-CG1 4.34Å; V298-M395 PolarHBondContact N-O 2.89Å; V298-S396 CarbonylContact O-C 3.34Å; V298-S396 VanDerWaalsContact O-CA 3.3Å; V298-S396 WeakPolarHBondContact O-CA 3.35Å; V298-I397 PolarHBondContact O-N 3.13Å
299	I	98.6	Very high	97.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.6	-170	-56.6	176.3	0	0	0	109.9	M282 M301 I359 S360 V361 V362 I397 L399	M282-I299 HydrophobicContact CE-CD1 3.73Å; M282-I299 HydrophobicContact CE-CG1 4.4Å; M282-I299 HydrophobicContact CE-CG2 4.44Å; I299-M301 HydrophobicContact CG2-CB 4.49Å; I299-I359 HydrophobicContact CD1-CG2 3.62Å; I299-I359 HydrophobicContact CG1-CG2 4.45Å; I299-S360 PolarHBondContact N-O 3.3Å; I299-V361 HydrophobicContact CB-CG2 4.1Å; I299-V361 HydrophobicContact CD1-CG2 4.27Å; I299-V361 HydrophobicContact CG2-CG2 4.47Å; I299-V361 WeakPolarHBondContact O-CA 3.31Å; I299-V362 PolarHBondContact O-N 3.01Å; I299-I397 VanDerWaalsContact CA-O 3.27Å; I299-I397 WeakPolarHBondContact CA-O 3.44Å; I299-I397 HydrophobicContact CG1-CB 4.37Å; I299-L399 HydrophobicContact CG2-CD1 3.77Å
300	G	98.4	Very high	97.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134	162.5	0	0	0	0	0	109.5	I397 L399	G300-I397 PolarHBondContact N-O 3.42Å; G300-L399 PolarHBondContact O-N 3.28Å
301	M	98.1	Very high	97	Very high	2 Å²	2	15 Å²	15	1%	0.01	9%	0.085	C	C	.	.			trans	-156.3	152.6	176.5	69.1	178.5	-62.9	0	0	113.2	I299 R306 I309 V361 N364 L399	I299-M301 HydrophobicContact CG2-CB 4.49Å; M301-R306 HydrophobicContact CE-CB 3.78Å; M301-R306 HydrophobicContact CE-CG 4.04Å; M301-R306 HydrophobicContact CG-CG 4.16Å; M301-R306 PolarHBondContact O-NH1 3.01Å; M301-R306 HydrophobicContact SD-CB 4.24Å; M301-R306 HydrophobicContact SD-CG 3.79Å; M301-I309 HydrophobicContact CE-CB 4.14Å; M301-I309 HydrophobicContact CE-CD1 3.68Å; M301-I309 HydrophobicContact CE-CG1 4.06Å; M301-I309 HydrophobicContact SD-CB 3.89Å; M301-I309 HydrophobicContact SD-CD1 3.88Å; M301-I309 HydrophobicContact SD-CG1 4.3Å; M301-I309 HydrophobicContact SD-CG2 3.79Å; M301-V361 HydrophobicContact CG-CG1 4.31Å; M301-N364 PolarHBondContact O-OD1 2.92Å; M301-N364 VanDerWaalsContact O-OD1 3.04Å; M301-L399 HydrophobicContact CB-CB 3.68Å; M301-L399 HydrophobicContact CB-CD1 4.1Å; M301-L399 HydrophobicContact CB-CD2 4.3Å; M301-L399 HydrophobicContact CB-CG 4.24Å; M301-L399 HydrophobicContact CE-CD2 4.15Å
302	P	96.9	Very high	96.9	Very high	13 Å²	13	11.3 Å²	11.3	8%	0.084	7%	0.065	C	C	.	.			trans	-77	-164.4	172.3	34.6	-39.8	0	0	0	111.3	L368 L399	P302-L368 HydrophobicContact CB-CD2 4Å; P302-L399 WeakPolarHBondContact CD-O 3.04Å
303	H	95.4	Very high	96.9	Very high	40 Å²	40	8.2 Å²	8.2	19%	0.185	5%	0.049	C	C	.	.	S	Bend	trans	-70.3	-29.9	179.7	51.3	-103.3	0	0	0	114.2	F270 G305 R306 H504	F270-H303 HydrophobicContact CB-CB 4.08Å; F270-H303 AromaticContact CD1-CD2 3.44Å; F270-H303 VanDerWaalsContact CD1-CD2 3.44Å; F270-H303 WeakPolarHBondContact CD1-CD2 3.37Å; F270-H303 AromaticContact CD1-CG 3.98Å; F270-H303 AromaticContact CD1-NE2 3.85Å; F270-H303 HydrophobicContact CD2-CB 3.96Å; F270-H303 HydrophobicContact CG-CB 3.96Å; F270-H303 AromaticContact CG-CD2 3.53Å; F270-H303 AromaticContact CG-CG 3.86Å; H303-G305 PolarHBondContact O-N 2.9Å; H303-G305 VanDerWaalsContact O-N 3.13Å; H303-R306 WeakPolarHBondContact O-CB 3.23Å; H303-R306 PolarHBondContact O-N 2.82Å; H303-R306 VanDerWaalsContact O-N 3.09Å; H303-H504 AromaticContact NE2-CE1 3.76Å
304	R	96	Very high	96.9	Very high	20 Å²	20	7 Å²	7	8%	0.075	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	113.8	-168.9	-172.4	68.6	-176.3	-88.8	-6	111.3	F270 G271 E273 R306 V433 N435 Y499	F270-R304 WeakPolarHBondContact O-CA 3.18Å; G271-R304 VanDerWaalsContact O-CD 3.3Å; G271-R304 WeakPolarHBondContact O-CD 3.2Å; G271-R304 PolarHBondContact O-NE 3.32Å; E273-R304 PolarHBondContact O-NH2 2.96Å; R304-R306 PolarHBondContact O-N 3.48Å; R304-V433 HydrophobicContact CG-CG1 4.11Å; R304-N435 PolarHBondContact NH1-ND2 3.41Å; R304-N435 PolarHBondContact NH1-OD1 3.12Å; R304-Y499 PolarHBondContact NH2-O 3.11Å
305	G	95.4	Very high	96.6	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.01	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	15.3	-179.1	0	0	0	0	0	115.1	F270 H303 L307 N308 I309	F270-G305 PolarHBondContact O-N 3.26Å; H303-G305 PolarHBondContact O-N 2.9Å; H303-G305 VanDerWaalsContact O-N 3.13Å; G305-L307 PolarHBondContact O-N 2.81Å; G305-N308 WeakPolarHBondContact O-CB 3.17Å; G305-N308 PolarHBondContact O-N 3.5Å; G305-N308 VanDerWaalsContact O-N 3.15Å; G305-I309 PolarHBondContact O-N 2.96Å
306	R	96.7	Very high	96.5	Very high	1 Å²	1	10.9 Å²	10.9	0%	0.004	5%	0.049	C	C	.	.	H	α-helix	trans	-59.6	-47.5	-175.1	-170.2	-176.4	-173.2	98.5	-10	113.3	M301 H303 R304 N308 I309 L310 Y340 H341 L342 V362 N364	M301-R306 HydrophobicContact CE-CB 3.78Å; M301-R306 HydrophobicContact CE-CG 4.04Å; M301-R306 HydrophobicContact CG-CG 4.16Å; M301-R306 PolarHBondContact O-NH1 3.01Å; M301-R306 HydrophobicContact SD-CB 4.24Å; M301-R306 HydrophobicContact SD-CG 3.79Å; H303-R306 WeakPolarHBondContact O-CB 3.23Å; H303-R306 PolarHBondContact O-N 2.82Å; H303-R306 VanDerWaalsContact O-N 3.09Å; R304-R306 PolarHBondContact O-N 3.48Å; R306-N308 PolarHBondContact O-N 3.34Å; R306-I309 PolarHBondContact O-N 3.49Å; R306-I309 VanDerWaalsContact O-N 3.11Å; R306-L310 HydrophobicContact CG-CD1 4.29Å; R306-L310 HydrophobicContact CG-CG 4.41Å; R306-L310 WeakPolarHBondContact O-CG 3.46Å; R306-L310 PolarHBondContact O-N 3.15Å; R306-Y340 WeakPolarHBondContact CD-O 3.45Å; R306-Y340 PolarHBondContact NE-O 3.49Å; R306-H341 PolarHBondContact NH2-O 2.58Å; R306-L342 PolarHBondContact NE-O 3.12Å; R306-L342 VanDerWaalsContact NE-O 3.12Å; R306-L342 PolarHBondContact NH2-O 3.38Å; R306-V362 PolarHBondContact NH2-O 3.22Å; R306-N364 PolarHBondContact NH1-OD1 3.46Å; R306-N364 PolarHBondContact NH2-OD1 3.24Å; R306-N364 VanDerWaalsContact NH2-OD1 3.15Å
307	L	95.9	Very high	96.3	Very high	9 Å²	9	14 Å²	14	5%	0.047	7%	0.069	C	C	.	.	H	α-helix	trans	-59.7	-35	179.3	-61.3	-176	0	0	0	111.7	F256 L260 G305 L310 A311 I321 F325 K339 Y340	F256-L307 HydrophobicContact CE1-CB 3.95Å; F256-L307 HydrophobicContact CZ-CB 4.27Å; L260-L307 HydrophobicContact CD1-CD1 4.02Å; G305-L307 PolarHBondContact O-N 2.81Å; L307-L310 HydrophobicContact CD2-CD1 4.39Å; L307-L310 PolarHBondContact O-N 2.99Å; L307-A311 WeakPolarHBondContact O-CB 3.37Å; L307-A311 PolarHBondContact O-N 3.33Å; L307-I321 HydrophobicContact CD2-CG2 4.32Å; L307-F325 HydrophobicContact CD1-CE2 3.85Å; L307-F325 HydrophobicContact CD1-CZ 3.54Å; L307-K339 HydrophobicContact CD1-CD 4.4Å; L307-K339 HydrophobicContact CD2-CB 4.29Å; L307-Y340 HydrophobicContact CD1-CD1 4.18Å; L307-Y340 HydrophobicContact CD1-CE1 3.24Å; L307-Y340 WeakPolarHBondContact CD1-OH 3.36Å; L307-Y340 HydrophobicContact CD2-CD1 4.19Å; L307-Y340 HydrophobicContact CD2-CE1 4.02Å; L307-Y340 HydrophobicContact CG-CD1 3.78Å; L307-Y340 HydrophobicContact CG-CE1 3.32Å
308	N	96.8	Very high	96.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-68.7	-41.2	177.9	-152.1	-34.9	0	0	0	111.4	S253 F256 E257 L272 I279 G305 R306 A311 N312	S253-N308 PolarHBondContact O-ND2 3.25Å; F256-N308 HydrophobicContact CD1-CB 3.96Å; F256-N308 HydrophobicContact CE1-CB 4.21Å; E257-N308 WeakPolarHBondContact OE1-CB 3.43Å; E257-N308 PolarHBondContact OE1-ND2 3.34Å; L272-N308 HydrophobicContact CD2-CB 4.4Å; I279-N308 HydrophobicContact CD1-CB 3.92Å; I279-N308 WeakPolarHBondContact CD1-OD1 3.45Å; I279-N308 HydrophobicContact CG1-CB 4.4Å; I279-N308 WeakPolarHBondContact CG1-OD1 3.24Å; G305-N308 WeakPolarHBondContact O-CB 3.17Å; G305-N308 PolarHBondContact O-N 3.5Å; G305-N308 VanDerWaalsContact O-N 3.15Å; R306-N308 PolarHBondContact O-N 3.34Å; N308-A311 PolarHBondContact O-N 3.05Å; N308-N312 WeakPolarHBondContact O-CB 3.37Å; N308-N312 PolarHBondContact O-N 2.84Å; N308-N312 PolarHBondContact OD1-ND2 3.17Å
309	I	97.2	Very high	96	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.5	-44.7	171.7	-72.8	-160.5	0	0	0	111.5	L278 I279 M282 M301 G305 R306 A311 V313 C314 L399	L278-I309 HydrophobicContact CD2-CD1 4.21Å; L278-I309 HydrophobicContact CG-CD1 4.39Å; I279-I309 HydrophobicContact CD1-CB 4.49Å; I279-I309 HydrophobicContact CD1-CG1 3.68Å; M282-I309 HydrophobicContact CE-CD1 4.3Å; M282-I309 HydrophobicContact CG-CD1 3.81Å; M282-I309 HydrophobicContact SD-CD1 4.4Å; M301-I309 HydrophobicContact CE-CB 4.14Å; M301-I309 HydrophobicContact CE-CD1 3.68Å; M301-I309 HydrophobicContact CE-CG1 4.06Å; M301-I309 HydrophobicContact SD-CB 3.89Å; M301-I309 HydrophobicContact SD-CD1 3.88Å; M301-I309 HydrophobicContact SD-CG1 4.3Å; M301-I309 HydrophobicContact SD-CG2 3.79Å; G305-I309 PolarHBondContact O-N 2.96Å; R306-I309 PolarHBondContact O-N 3.49Å; R306-I309 VanDerWaalsContact O-N 3.11Å; I309-A311 PolarHBondContact O-N 2.82Å; I309-V313 HydrophobicContact CB-CG2 4.4Å; I309-V313 HydrophobicContact CG1-CG2 4.21Å; I309-V313 HydrophobicContact CG2-CB 4.08Å; I309-V313 HydrophobicContact CG2-CG2 4.33Å; I309-V313 WeakPolarHBondContact O-CA 3.12Å; I309-V313 VanDerWaalsContact O-CB 3.26Å; I309-V313 WeakPolarHBondContact O-CB 3.42Å; I309-V313 PolarHBondContact O-N 3.08Å; I309-C314 PolarHBondContact O-N 2.91Å; I309-L399 HydrophobicContact CD1-CD2 3.43Å; I309-L399 VanDerWaalsContact CD1-CD2 3.43Å
310	L	95.8	Very high	95.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	I	π-helix	trans	-58.6	-47.8	176.9	-65.8	174.8	0	0	0	111.1	R306 L307 C314 R315 Q316 I321 V344 V361 W575	R306-L310 HydrophobicContact CG-CD1 4.29Å; R306-L310 HydrophobicContact CG-CG 4.41Å; R306-L310 WeakPolarHBondContact O-CG 3.46Å; R306-L310 PolarHBondContact O-N 3.15Å; L307-L310 HydrophobicContact CD2-CD1 4.39Å; L307-L310 PolarHBondContact O-N 2.99Å; L310-C314 WeakPolarHBondContact O-CB 3.34Å; L310-R315 PolarHBondContact O-N 3.27Å; L310-R315 VanDerWaalsContact O-N 3.08Å; L310-Q316 HydrophobicContact CB-CB 4.37Å; L310-Q316 WeakPolarHBondContact O-CB 3.47Å; L310-Q316 PolarHBondContact O-N 3.16Å; L310-I321 HydrophobicContact CB-CD1 4.11Å; L310-V344 HydrophobicContact CD2-CB 4.09Å; L310-V344 HydrophobicContact CD2-CG1 3.63Å; L310-V361 HydrophobicContact CD2-CB 4.36Å; L310-V361 HydrophobicContact CD2-CG2 4.11Å; L310-W575 HydrophobicContact CD1-CZ3 4.24Å
311	A	95.8	Very high	95.4	Very high	9 Å²	9	19 Å²	19	7%	0.074	10%	0.097	C	C	.	.	I	π-helix	trans	-68.7	-53.1	-180	0	0	0	0	0	113.1	F256 L307 N308 I309 R315 L318 I321	F256-A311 HydrophobicContact CD2-CB 4.26Å; F256-A311 HydrophobicContact CE1-CB 4.49Å; F256-A311 HydrophobicContact CE2-CB 3.72Å; F256-A311 HydrophobicContact CZ-CB 3.85Å; L307-A311 WeakPolarHBondContact O-CB 3.37Å; L307-A311 PolarHBondContact O-N 3.33Å; N308-A311 PolarHBondContact O-N 3.05Å; I309-A311 PolarHBondContact O-N 2.82Å; A311-R315 WeakPolarHBondContact O-CA 3.32Å; A311-R315 PolarHBondContact O-N 3.14Å; A311-L318 HydrophobicContact CB-CD2 3.76Å; A311-I321 HydrophobicContact CB-CD1 3.69Å
312	N	96.3	Very high	95.3	Very high	7 Å²	7	18.9 Å²	18.9	4%	0.037	10%	0.097	C	C	.	.	I	π-helix	trans	-101.8	-18.1	-162.6	-70.9	-50	0	0	0	114.5	R252 I279 K283 N308 Y553	R252-N312 PolarHBondContact O-ND2 3.29Å; I279-N312 HydrophobicContact CG2-CB 3.73Å; K283-N312 PolarHBondContact NZ-O 3.33Å; N308-N312 WeakPolarHBondContact O-CB 3.37Å; N308-N312 PolarHBondContact O-N 2.84Å; N308-N312 PolarHBondContact OD1-ND2 3.17Å; N312-Y553 PolarHBondContact ND2-OH 2.87Å; N312-Y553 VanDerWaalsContact ND2-OH 3.16Å; N312-Y553 PolarHBondContact OD1-OH 2.75Å
313	V	96.3	Very high	95.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-103.3	-53.4	175.6	-176.8	0	0	0	0	111	I279 M282 K283 I286 I309 R348	I279-V313 HydrophobicContact CD1-CG2 4.01Å; I279-V313 HydrophobicContact CG2-CG2 4.24Å; M282-V313 HydrophobicContact CB-CG1 4.13Å; M282-V313 HydrophobicContact CB-CG2 3.85Å; K283-V313 HydrophobicContact CG-CG2 4.22Å; I286-V313 HydrophobicContact CD1-CG1 3.52Å; I309-V313 HydrophobicContact CB-CG2 4.4Å; I309-V313 HydrophobicContact CG1-CG2 4.21Å; I309-V313 HydrophobicContact CG2-CB 4.08Å; I309-V313 HydrophobicContact CG2-CG2 4.33Å; I309-V313 WeakPolarHBondContact O-CA 3.12Å; I309-V313 VanDerWaalsContact O-CB 3.26Å; I309-V313 WeakPolarHBondContact O-CB 3.42Å; I309-V313 PolarHBondContact O-N 3.08Å; V313-R348 PolarHBondContact O-NE 2.84Å; V313-R348 PolarHBondContact O-NH2 2.96Å; V313-R348 VanDerWaalsContact O-NH2 3.11Å
314	C	95.3	Very high	94.9	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.007	9%	0.093	C	C	.	.	I	π-helix	trans	-77.1	-28.6	-178.7	-52.4	0	0	0	0	112.1	I309 L310 V344 I359 V361	I309-C314 PolarHBondContact O-N 2.91Å; L310-C314 WeakPolarHBondContact O-CB 3.34Å; C314-V344 HydrophobicContact CB-CG1 4.04Å; C314-I359 HydrophobicContact CB-CG2 4.49Å; C314-V361 WeakPolarHBondContact SG-CG2 3.48Å
315	R	93.4	Very high	94.7	Very high	116 Å²	116	18.2 Å²	18.2	44%	0.438	9%	0.094	S	C	.	.			trans	65.9	36.6	-172.6	-53	-171.7	-176.7	-175.5	-1.4	113.4	L310 A311	L310-R315 PolarHBondContact O-N 3.27Å; L310-R315 VanDerWaalsContact O-N 3.08Å; A311-R315 WeakPolarHBondContact O-CA 3.32Å; A311-R315 PolarHBondContact O-N 3.14Å
316	Q	93.8	Very high	94.3	Very high	6 Å²	6	19.9 Å²	19.9	3%	0.028	10%	0.103	C	C	.	.			trans	-57.8	135.6	165.6	179.5	68.4	-27.7	0	0	108.7	L310 L318 I321 V344 W575	L310-Q316 HydrophobicContact CB-CB 4.37Å; L310-Q316 WeakPolarHBondContact O-CB 3.47Å; L310-Q316 PolarHBondContact O-N 3.16Å; Q316-L318 PolarHBondContact O-N 3.44Å; Q316-I321 HydrophobicContact CB-CD1 4.13Å; Q316-I321 HydrophobicContact CB-CG1 4.42Å; Q316-I321 HydrophobicContact CG-CD1 4.18Å; Q316-I321 HydrophobicContact CG-CG1 3.9Å; Q316-V344 HydrophobicContact CB-CG2 4.42Å; Q316-V344 HydrophobicContact CG-CG2 4.46Å; Q316-W575 HydrophobicContact CG-CH2 3.95Å; Q316-W575 HydrophobicContact CG-CZ3 3.75Å; Q316-W575 VanDerWaalsContact NE2-CZ3 3.3Å
317	P	94	Very high	93.8	Very high	67 Å²	67	27.2 Å²	27.2	44%	0.435	15%	0.148	S	C	.	.			trans	-54.2	129.7	-180	-27.7	36.7	0	0	0	111.4	L319 S320 I321	P317-L319 PolarHBondContact O-N 3.36Å; P317-S320 WeakPolarHBondContact O-CB 3.4Å; P317-S320 PolarHBondContact O-N 2.82Å; P317-I321 PolarHBondContact O-N 3.47Å
318	L	95	Very high	93.4	Very high	25 Å²	25	28.5 Å²	28.5	13%	0.131	15%	0.154	C	C	.	.	H	α-helix	trans	-57.9	-35	178.6	-70.9	178.7	0	0	0	111.6	F256 A311 Q316 S320 I321 F322 I556 M557 A560	F256-L318 HydrophobicContact CD2-CD2 4.3Å; F256-L318 HydrophobicContact CE2-CD2 3.72Å; A311-L318 HydrophobicContact CB-CD2 3.76Å; Q316-L318 PolarHBondContact O-N 3.44Å; L318-S320 PolarHBondContact O-N 3.38Å; L318-I321 PolarHBondContact O-N 2.84Å; L318-F322 HydrophobicContact CB-CD2 4.34Å; L318-F322 HydrophobicContact CB-CE2 4.01Å; L318-F322 HydrophobicContact CB-CZ 4.29Å; L318-F322 HydrophobicContact CD2-CE1 4.44Å; L318-F322 HydrophobicContact CD2-CZ 4.11Å; L318-F322 WeakPolarHBondContact O-CB 3.29Å; L318-F322 WeakPolarHBondContact O-CD2 3.45Å; L318-F322 WeakPolarHBondContact O-CG 3.46Å; L318-F322 PolarHBondContact O-N 3.13Å; L318-I556 HydrophobicContact CD1-CG2 3.84Å; L318-M557 HydrophobicContact CD1-CG 4.21Å; L318-A560 HydrophobicContact CB-CB 3.47Å; L318-A560 VanDerWaalsContact CB-CB 3.47Å; L318-A560 HydrophobicContact CD1-CB 4.1Å; L318-A560 HydrophobicContact CG-CB 4.46Å
319	L	94	Very high	92.9	Very high	53 Å²	53	36 Å²	36	28%	0.277	19%	0.189	S	C	.	.	H	α-helix	trans	-49.3	-57.3	171.3	177.1	65.5	0	0	0	111.1	P317 I321 F322 S323 N563 A564 E567	P317-L319 PolarHBondContact O-N 3.36Å; L319-I321 VanDerWaalsContact C-N 3.29Å; L319-I321 PolarHBondContact O-N 3.42Å; L319-F322 PolarHBondContact O-N 3.37Å; L319-S323 WeakPolarHBondContact O-CB 3.28Å; L319-S323 PolarHBondContact O-N 2.9Å; L319-S323 PolarHBondContact O-OG 2.93Å; L319-N563 HydrophobicContact CD1-CB 3.83Å; L319-A564 HydrophobicContact CD1-CB 3.92Å; L319-E567 HydrophobicContact CD1-CG 3.89Å; L319-E567 HydrophobicContact CG-CG 4.38Å
320	S	92.5	Very high	92.3	Very high	27 Å²	27	39.6 Å²	39.6	19%	0.189	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-39.7	-178.5	-54	0	0	0	0	112.1	P317 L318 Q324	P317-S320 WeakPolarHBondContact O-CB 3.4Å; P317-S320 PolarHBondContact O-N 2.82Å; L318-S320 PolarHBondContact O-N 3.38Å; S320-Q324 WeakPolarHBondContact O-CG 3.48Å
321	I	93.6	Very high	91.8	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-67.2	-48.8	177.6	-62.9	172.6	0	0	0	110.9	F256 L307 L310 A311 Q316 P317 L318 L319 S323 Q324 W575	F256-I321 HydrophobicContact CZ-CG2 4.47Å; L307-I321 HydrophobicContact CD2-CG2 4.32Å; L310-I321 HydrophobicContact CB-CD1 4.11Å; A311-I321 HydrophobicContact CB-CD1 3.69Å; Q316-I321 HydrophobicContact CB-CD1 4.13Å; Q316-I321 HydrophobicContact CB-CG1 4.42Å; Q316-I321 HydrophobicContact CG-CD1 4.18Å; Q316-I321 HydrophobicContact CG-CG1 3.9Å; P317-I321 PolarHBondContact O-N 3.47Å; L318-I321 PolarHBondContact O-N 2.84Å; L319-I321 VanDerWaalsContact C-N 3.29Å; L319-I321 PolarHBondContact O-N 3.42Å; I321-S323 VanDerWaalsContact C-N 3.33Å; I321-S323 PolarHBondContact O-N 3.26Å; I321-Q324 WeakPolarHBondContact O-CB 3.36Å; I321-Q324 PolarHBondContact O-N 3.07Å; I321-Q324 VanDerWaalsContact O-N 3.14Å; I321-W575 HydrophobicContact CG1-CH2 4.01Å
322	F	95	Very high	91.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-68	-32.8	-176.8	-66	-15.8	0	0	0	112.3	F256 F259 L260 W264 L318 L319 Q324 F325 M557 A560 A564	F256-F322 AromaticContact CE2-CE1 3.8Å; F256-F322 HydrophobicContact CE2-CE1 3.8Å; F256-F322 HydrophobicContact CE2-CZ 4.17Å; F256-F322 HydrophobicContact CZ-CE1 4.3Å; F259-F322 HydrophobicContact CD1-CZ 4.03Å; F259-F322 AromaticContact CE1-CE2 3.95Å; F259-F322 HydrophobicContact CE1-CE2 3.95Å; F259-F322 AromaticContact CE1-CZ 3.89Å; F259-F322 HydrophobicContact CE1-CZ 3.89Å; L260-F322 HydrophobicContact CD2-CD1 4.2Å; L260-F322 HydrophobicContact CD2-CE1 3.81Å; W264-F322 HydrophobicContact CH2-CB 3.85Å; W264-F322 AromaticContact CH2-CD1 3.89Å; W264-F322 HydrophobicContact CH2-CD1 3.89Å; W264-F322 AromaticContact CH2-CG 3.85Å; W264-F322 HydrophobicContact CH2-CG 3.85Å; W264-F322 HydrophobicContact CZ2-CB 4.45Å; W264-F322 HydrophobicContact CZ3-CD1 4.05Å; W264-F322 HydrophobicContact CZ3-CE1 4.44Å; W264-F322 HydrophobicContact CZ3-CG 4.45Å; L318-F322 HydrophobicContact CB-CD2 4.34Å; L318-F322 HydrophobicContact CB-CE2 4.01Å; L318-F322 HydrophobicContact CB-CZ 4.29Å; L318-F322 HydrophobicContact CD2-CE1 4.44Å; L318-F322 HydrophobicContact CD2-CZ 4.11Å; L318-F322 WeakPolarHBondContact O-CB 3.29Å; L318-F322 WeakPolarHBondContact O-CD2 3.45Å; L318-F322 WeakPolarHBondContact O-CG 3.46Å; L318-F322 PolarHBondContact O-N 3.13Å; L319-F322 PolarHBondContact O-N 3.37Å; F322-Q324 PolarHBondContact O-N 3.47Å; F322-F325 WeakPolarHBondContact O-CB 3.49Å; F322-F325 PolarHBondContact O-N 3.43Å; F322-M557 HydrophobicContact CZ-CB 4.48Å; F322-A560 HydrophobicContact CD2-CB 3.99Å; F322-A560 HydrophobicContact CE2-CB 3.83Å; F322-A564 HydrophobicContact CB-CB 3.6Å
323	S	92.6	Very high	90.7	Very high	5 Å²	5	46.7 Å²	46.7	4%	0.035	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-25.1	173.2	-61.7	0	0	0	0	112.9	L319 I321 F325 N326 E567	L319-S323 WeakPolarHBondContact O-CB 3.28Å; L319-S323 PolarHBondContact O-N 2.9Å; L319-S323 PolarHBondContact O-OG 2.93Å; I321-S323 VanDerWaalsContact C-N 3.33Å; I321-S323 PolarHBondContact O-N 3.26Å; S323-F325 PolarHBondContact O-N 3.28Å; S323-N326 PolarHBondContact O-N 2.85Å; S323-N326 VanDerWaalsContact O-N 3.14Å; S323-E567 WeakPolarHBondContact OG-CG 3.46Å
324	Q	90.9	Very high	89.9	Confident	34 Å²	34	48.3 Å²	48.3	16%	0.159	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.5	175.2	-60.5	-60.8	-52.2	0	0	114.1	S320 I321 F322 K339 L342 W575	S320-Q324 WeakPolarHBondContact O-CG 3.48Å; I321-Q324 WeakPolarHBondContact O-CB 3.36Å; I321-Q324 PolarHBondContact O-N 3.07Å; I321-Q324 VanDerWaalsContact O-N 3.14Å; F322-Q324 PolarHBondContact O-N 3.47Å; Q324-K339 HydrophobicContact CB-CB 4Å; Q324-K339 HydrophobicContact CB-CD 4.46Å; Q324-L342 HydrophobicContact CG-CD1 4.21Å; Q324-W575 HydrophobicContact CG-CH2 4.39Å; Q324-W575 HydrophobicContact CG-CZ2 3.66Å
325	F	91.4	Very high	89.3	Confident	19 Å²	19	52.8 Å²	52.8	8%	0.083	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-12.1	172.7	-70.3	-100.2	0	0	0	112.7	L260 W264 E267 L307 F322 S323 K339	L260-F325 HydrophobicContact CD1-CZ 4.22Å; L260-F325 HydrophobicContact CD2-CE2 4.11Å; L260-F325 HydrophobicContact CD2-CZ 3.97Å; W264-F325 HydrophobicContact CB-CD1 3.9Å; W264-F325 HydrophobicContact CB-CE1 4.28Å; W264-F325 HydrophobicContact CD2-CB 3.83Å; W264-F325 AromaticContact CD2-CD1 3.63Å; W264-F325 HydrophobicContact CD2-CD1 3.63Å; W264-F325 HydrophobicContact CD2-CD2 4.47Å; W264-F325 HydrophobicContact CD2-CE1 4.29Å; W264-F325 AromaticContact CD2-CG 3.74Å; W264-F325 HydrophobicContact CD2-CG 3.74Å; W264-F325 AromaticContact CE2-CG 3.79Å; W264-F325 AromaticContact CE3-CD1 3.98Å; W264-F325 HydrophobicContact CE3-CD1 3.98Å; W264-F325 HydrophobicContact CE3-CD2 4.4Å; W264-F325 HydrophobicContact CE3-CE1 4.22Å; W264-F325 HydrophobicContact CE3-CG 4.08Å; W264-F325 HydrophobicContact CG-CB 4.07Å; W264-F325 AromaticContact CG-CD1 3.6Å; W264-F325 HydrophobicContact CG-CD1 3.6Å; W264-F325 HydrophobicContact CG-CE1 4.34Å; W264-F325 HydrophobicContact CG-CG 4.09Å; W264-F325 HydrophobicContact CH2-CB 4.48Å; W264-F325 HydrophobicContact CH2-CD2 4.4Å; W264-F325 HydrophobicContact CH2-CG 4.45Å; W264-F325 HydrophobicContact CZ2-CB 3.74Å; W264-F325 HydrophobicContact CZ2-CD2 4.46Å; W264-F325 HydrophobicContact CZ2-CG 4.14Å; W264-F325 HydrophobicContact CZ3-CD2 4.39Å; W264-F325 HydrophobicContact CZ3-CG 4.43Å; E267-F325 HydrophobicContact CB-CD1 4.12Å; E267-F325 HydrophobicContact CB-CE1 4.15Å; E267-F325 HydrophobicContact CG-CD1 4.06Å; L307-F325 HydrophobicContact CD1-CE2 3.85Å; L307-F325 HydrophobicContact CD1-CZ 3.54Å; F322-F325 WeakPolarHBondContact O-CB 3.49Å; F322-F325 PolarHBondContact O-N 3.43Å; S323-F325 PolarHBondContact O-N 3.28Å; F325-K339 HydrophobicContact CD1-CD 4.36Å; F325-K339 HydrophobicContact CD2-CD 4.23Å; F325-K339 HydrophobicContact CE1-CD 4.09Å; F325-K339 VanDerWaalsContact CE1-CE 3.48Å; F325-K339 HydrophobicContact CE2-CD 3.94Å; F325-K339 HydrophobicContact CG-CD 4.44Å; F325-K339 HydrophobicContact CZ-CD 3.87Å
326	N	87.8	Confident	89	Confident	37 Å²	37	47.9 Å²	47.9	20%	0.198	29%	0.289	C	S	.	.	S	Bend	trans	-93	148.9	177.7	-64.5	-18.1	0	0	0	109.9	S323 L328 A564 Q565	S323-N326 PolarHBondContact O-N 2.85Å; S323-N326 VanDerWaalsContact O-N 3.14Å; N326-L328 HydrophobicContact CB-CD1 4.05Å; N326-L328 HydrophobicContact CB-CD2 4.17Å; N326-L328 HydrophobicContact CB-CG 3.78Å; N326-L328 PolarHBondContact O-N 3.42Å; N326-L328 VanDerWaalsContact O-N 3.12Å; N326-A564 PolarHBondContact ND2-O 3.45Å; N326-Q565 PolarHBondContact ND2-NE2 2.92Å; N326-Q565 PolarHBondContact OD1-NE2 3.38Å
327	T	86.7	Confident	88.7	Confident	155 Å²	155	49.6 Å²	49.6	95%	0.951	30%	0.298	S	S	*	.			trans	-80.3	92	171.5	-51.3	0	0	0	0	109
328	L	86.3	Confident	88.5	Confident	36 Å²	36	50.3 Å²	50.3	19%	0.188	30%	0.301	C	S	.	.			trans	-115.6	152.7	-176.8	-61.4	177.8	0	0	0	111.4	N326 E567 I570	N326-L328 HydrophobicContact CB-CD1 4.05Å; N326-L328 HydrophobicContact CB-CD2 4.17Å; N326-L328 HydrophobicContact CB-CG 3.78Å; N326-L328 PolarHBondContact O-N 3.42Å; N326-L328 VanDerWaalsContact O-N 3.12Å; L328-E567 HydrophobicContact CD1-CB 4.13Å; L328-E567 VanDerWaalsContact CD2-O 3.29Å; L328-E567 WeakPolarHBondContact CD2-O 3.17Å; L328-I570 HydrophobicContact CB-CG2 3.98Å; L328-I570 HydrophobicContact CD1-CG2 3.78Å; L328-I570 HydrophobicContact CG-CG2 4.46Å
329	E	86.7	Confident	88.3	Confident	156 Å²	156	50.3 Å²	50.3	73%	0.729	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	139.5	174.9	-67.3	-175.8	163.7	0	0	110.8	Y569 I570	E329-Y569 CarbonylContact O-C 3.58Å; E329-Y569 WeakPolarHBondContact O-CA 3.48Å; E329-Y569 WeakPolarHBondContact O-CB 3.28Å; E329-I570 PolarHBondContact O-N 2.86Å
330	P	85.3	Confident	88.1	Confident	77 Å²	77	48.2 Å²	48.2	50%	0.5	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	129.8	172	29.9	-32.5	0	0	0	110.4
331	A	86.1	Confident	88.2	Confident	59 Å²	59	47.6 Å²	47.6	49%	0.488	28%	0.282	S	S	.	.	S	Bend	trans	-85.7	-7.9	176.1	0	0	0	0	0	113.5	Y569 I570 R571	A331-Y569 HydrophobicContact CB-CD2 3.71Å; A331-Y569 HydrophobicContact CB-CG 3.99Å; A331-I570 PolarHBondContact N-O 2.98Å; A331-R571 HydrophobicContact CB-CG 4.02Å
332	D	85.8	Confident	88.1	Confident	24 Å²	24	47.9 Å²	47.9	13%	0.128	28%	0.284	C	S	.	.	S	Bend	trans	-141.9	-179.4	179.8	61.7	-4.4	0	0	0	113	R571 N572 R573	D332-R571 WeakPolarHBondContact OD1-CA 3.43Å; D332-N572 WeakPolarHBondContact OD1-CB 3.37Å; D332-N572 PolarHBondContact OD1-N 2.84Å; D332-R573 WeakPolarHBondContact OD2-CB 3.47Å; D332-R573 VanDerWaalsContact OD2-CG 3.32Å; D332-R573 WeakPolarHBondContact OD2-CG 3.5Å; D332-R573 IonicContact OD2-CZ 3.56Å; D332-R573 PolarHBondContact OD2-N 3.06Å; D332-R573 VanDerWaalsContact OD2-N 3.11Å; D332-R573 IonicContact OD2-NE 3.68Å; D332-R573 PolarHBondContact OD2-NE 2.92Å; D332-R573 IonicContact OD2-NH2 3.51Å
333	E	82.3	Confident	87.9	Confident	82 Å²	82	47.9 Å²	47.9	38%	0.383	28%	0.284	S	S	.	.	S	Bend	trans	-66.8	166.9	-174	64	176.5	-155.6	0	0	113.7	N572 I757 Y809	E333-N572 PolarHBondContact O-ND2 2.86Å; E333-I757 HydrophobicContact CG-CD1 4.38Å; E333-I757 HydrophobicContact CG-CG1 4.3Å; E333-I757 HydrophobicContact CG-CG2 4.47Å; E333-I757 WeakPolarHBondContact O-CD1 3.33Å; E333-I757 WeakPolarHBondContact O-CG1 3.45Å; E333-Y809 PolarHBondContact OE2-OH 3.33Å
334	G	80.2	Confident	88	Confident	33 Å²	33	47.7 Å²	47.7	34%	0.34	28%	0.282	S	S	.	.	S	Bend	trans	96.9	151.3	178.9	0	0	0	0	0	113.4	G336 N572 A754	G334-G336 PolarHBondContact O-N 3.26Å; G334-N572 PolarHBondContact O-ND2 2.83Å; G334-A754 CarbonylContact C-O 3.56Å; G334-A754 WeakPolarHBondContact CA-O 3.4Å
335	S	82.6	Confident	88.1	Confident	95 Å²	95	47.3 Å²	47.3	66%	0.664	28%	0.283	S	S	*	.			trans	-72.2	-13.5	174.7	60.8	0	0	0	0	112.8	A754	S335-A754 PolarHBondContact N-O 2.81Å; S335-A754 PolarHBondContact OG-O 2.92Å
336	G	85.7	Confident	88.3	Confident	14 Å²	14	48.7 Å²	48.7	14%	0.144	29%	0.291	C	S	.	.			trans	66	-175.6	-162.9	0	0	0	0	0	112	G334 K755	G334-G336 PolarHBondContact O-N 3.26Å; G336-K755 CarbonylContact C-O 3.58Å; G336-K755 VanDerWaalsContact C-O 3.22Å; G336-K755 WeakPolarHBondContact CA-O 3.19Å
337	D	88.8	Confident	88.6	Confident	42 Å²	42	53.9 Å²	53.9	23%	0.225	31%	0.314	C	S	.	.			trans	-148.2	171.8	173	-158.7	-12.5	0	0	0	108.8	H341 L342 K755 W756	D337-H341 HydrophobicContact CB-CB 4.27Å; D337-H341 IonicContact OD1-CE1 3.14Å; D337-H341 IonicContact OD1-CG 3.78Å; D337-H341 IonicContact OD1-ND1 3.44Å; D337-H341 PolarHBondContact OD1-ND1 3.35Å; D337-H341 WeakPolarHBondContact OD2-CB 3.4Å; D337-H341 IonicContact OD2-CG 3.64Å; D337-H341 IonicContact OD2-ND1 2.82Å; D337-H341 PolarHBondContact OD2-ND1 2.86Å; D337-L342 HydrophobicContact CB-CD2 4.42Å; D337-K755 HydrophobicContact CB-CB 4.3Å; D337-W756 PolarHBondContact OD2-NE1 2.96Å
338	V	89.2	Confident	88.9	Confident	81 Å²	81	47.4 Å²	47.4	49%	0.491	27%	0.272	S	S	.	.			trans	-62.2	143.1	175.6	-63.8	0	0	0	0	110.7	Y340 H341	V338-Y340 PolarHBondContact O-N 3.01Å; V338-H341 HydrophobicContact CG2-CB 4.3Å; V338-H341 WeakPolarHBondContact CG2-CE1 3.34Å; V338-H341 VanDerWaalsContact CG2-ND1 3.27Å; V338-H341 WeakPolarHBondContact CG2-ND1 3.4Å; V338-H341 WeakPolarHBondContact O-CB 3.49Å; V338-H341 PolarHBondContact O-N 3.01Å
339	K	90.4	Very high	89.3	Confident	25 Å²	25	50.1 Å²	50.1	11%	0.109	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-23.9	-177.7	56.5	-172.1	167.6	-99.2	0	115.7	E267 L307 Q324 F325 H341	E267-K339 IonicContact OE2-NZ 3.92Å; E267-K339 PolarHBondContact OE2-NZ 3.08Å; L307-K339 HydrophobicContact CD1-CD 4.4Å; L307-K339 HydrophobicContact CD2-CB 4.29Å; Q324-K339 HydrophobicContact CB-CB 4Å; Q324-K339 HydrophobicContact CB-CD 4.46Å; F325-K339 HydrophobicContact CD1-CD 4.36Å; F325-K339 HydrophobicContact CD2-CD 4.23Å; F325-K339 HydrophobicContact CE1-CD 4.09Å; F325-K339 VanDerWaalsContact CE1-CE 3.48Å; F325-K339 HydrophobicContact CE2-CD 3.94Å; F325-K339 HydrophobicContact CG-CD 4.44Å; F325-K339 HydrophobicContact CZ-CD 3.87Å; K339-H341 VanDerWaalsContact C-N 3.34Å
340	Y	90.2	Very high	89.6	Confident	9 Å²	9	42.8 Å²	42.8	4%	0.035	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	6.2	177	-47.5	-78.3	0	0	0	114.6	K268 R269 F270 R306 L307 V338	K268-Y340 WeakPolarHBondContact O-CE2 3.4Å; K268-Y340 VanDerWaalsContact O-CZ 3.22Å; K268-Y340 PolarHBondContact O-OH 3.32Å; R269-Y340 WeakPolarHBondContact CA-OH 3.43Å; R269-Y340 HydrophobicContact CB-CE1 4.2Å; R269-Y340 WeakPolarHBondContact CB-OH 3.37Å; R269-Y340 WeakPolarHBondContact O-CD1 3.32Å; R269-Y340 WeakPolarHBondContact O-CE1 3.41Å; F270-Y340 HydrophobicContact CD2-CD1 4.36Å; F270-Y340 AromaticContact CD2-CD2 3.84Å; F270-Y340 HydrophobicContact CD2-CD2 3.84Å; F270-Y340 HydrophobicContact CD2-CE2 4.14Å; F270-Y340 HydrophobicContact CD2-CG 4.01Å; F270-Y340 HydrophobicContact CE2-CD2 4.05Å; F270-Y340 HydrophobicContact CE2-CE2 4.42Å; R306-Y340 WeakPolarHBondContact CD-O 3.45Å; R306-Y340 PolarHBondContact NE-O 3.49Å; L307-Y340 HydrophobicContact CD1-CD1 4.18Å; L307-Y340 HydrophobicContact CD1-CE1 3.24Å; L307-Y340 WeakPolarHBondContact CD1-OH 3.36Å; L307-Y340 HydrophobicContact CD2-CD1 4.19Å; L307-Y340 HydrophobicContact CD2-CE1 4.02Å; L307-Y340 HydrophobicContact CG-CD1 3.78Å; L307-Y340 HydrophobicContact CG-CE1 3.32Å; V338-Y340 PolarHBondContact O-N 3.01Å
341	H	94.2	Very high	89.9	Confident	15 Å²	15	45.5 Å²	45.5	7%	0.069	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-13.8	174.3	-67.6	169.8	0	0	0	112.9	R306 D337 V338 K339 A363 N364 S366	R306-H341 PolarHBondContact NH2-O 2.58Å; D337-H341 HydrophobicContact CB-CB 4.27Å; D337-H341 IonicContact OD1-CE1 3.14Å; D337-H341 IonicContact OD1-CG 3.78Å; D337-H341 IonicContact OD1-ND1 3.44Å; D337-H341 PolarHBondContact OD1-ND1 3.35Å; D337-H341 WeakPolarHBondContact OD2-CB 3.4Å; D337-H341 IonicContact OD2-CG 3.64Å; D337-H341 IonicContact OD2-ND1 2.82Å; D337-H341 PolarHBondContact OD2-ND1 2.86Å; V338-H341 HydrophobicContact CG2-CB 4.3Å; V338-H341 WeakPolarHBondContact CG2-CE1 3.34Å; V338-H341 VanDerWaalsContact CG2-ND1 3.27Å; V338-H341 WeakPolarHBondContact CG2-ND1 3.4Å; V338-H341 WeakPolarHBondContact O-CB 3.49Å; V338-H341 PolarHBondContact O-N 3.01Å; K339-H341 VanDerWaalsContact C-N 3.34Å; H341-A363 WeakPolarHBondContact O-CA 3.43Å; H341-A363 WeakPolarHBondContact O-CB 3.36Å; H341-N364 WeakPolarHBondContact CB-O 3.46Å; H341-N364 PolarHBondContact CD2-O 2.93Å; H341-N364 VanDerWaalsContact CD2-O 3.26Å; H341-N364 PolarHBondContact O-N 2.85Å; H341-S366 PolarHBondContact CE1-OG 3.24Å; H341-S366 PolarHBondContact NE2-N 3.14Å; H341-S366 PolarHBondContact NE2-OG 3.16Å
342	L	91.1	Very high	90	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.037	25%	0.254	C	S	.	.			trans	-64.9	139	-172	-59.3	179.3	0	0	0	111.6	R306 Q324 D337 W575	R306-L342 PolarHBondContact NE-O 3.12Å; R306-L342 VanDerWaalsContact NE-O 3.12Å; R306-L342 PolarHBondContact NH2-O 3.38Å; Q324-L342 HydrophobicContact CG-CD1 4.21Å; D337-L342 HydrophobicContact CB-CD2 4.42Å; L342-W575 HydrophobicContact CB-CB 4.07Å; L342-W575 HydrophobicContact CB-CD2 3.87Å; L342-W575 HydrophobicContact CB-CE3 3.78Å; L342-W575 HydrophobicContact CB-CG 3.99Å; L342-W575 HydrophobicContact CD1-CD2 3.64Å; L342-W575 HydrophobicContact CD1-CE3 4.12Å; L342-W575 HydrophobicContact CD1-CG 3.88Å; L342-W575 HydrophobicContact CD1-CZ2 4.13Å; L342-W575 HydrophobicContact CD2-CB 4.37Å; L342-W575 HydrophobicContact CD2-CG 4.29Å; L342-W575 HydrophobicContact CG-CD2 4.29Å; L342-W575 HydrophobicContact CG-CG 4.27Å
343	G	92.3	Very high	90.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.01	25%	0.253	C	S	.	.			trans	-87.1	174.8	174.8	0	0	0	0	0	112	V361 W575	G343-V361 CarbonylContact C-O 3.45Å; G343-V361 WeakPolarHBondContact CA-O 3.41Å; G343-W575 CarbonylContact C-O 3.58Å; G343-W575 WeakPolarHBondContact CA-O 3.29Å; G343-W575 CarbonylContact O-C 3.58Å; G343-W575 WeakPolarHBondContact O-CA 3.5Å; G343-W575 WeakPolarHBondContact O-CB 3.33Å
344	V	93.8	Very high	90.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	153.2	172.2	78.5	0	0	0	0	110.6	L310 C314 Q316 M346 S360 V361	L310-V344 HydrophobicContact CD2-CB 4.09Å; L310-V344 HydrophobicContact CD2-CG1 3.63Å; C314-V344 HydrophobicContact CB-CG1 4.04Å; Q316-V344 HydrophobicContact CB-CG2 4.42Å; Q316-V344 HydrophobicContact CG-CG2 4.46Å; V344-M346 HydrophobicContact CG2-CE 3.54Å; V344-M346 HydrophobicContact CG2-CG 3.79Å; V344-M346 HydrophobicContact CG2-SD 4.48Å; V344-S360 CarbonylContact O-C 3.34Å; V344-S360 VanDerWaalsContact O-CA 3.24Å; V344-S360 WeakPolarHBondContact O-CA 3.17Å; V344-V361 HydrophobicContact CG1-CB 4Å; V344-V361 HydrophobicContact CG1-CG2 3.8Å; V344-V361 PolarHBondContact N-O 3.15Å; V344-V361 PolarHBondContact O-N 3.04Å
345	C	94.3	Very high	91.5	Very high	26 Å²	26	51.8 Å²	51.8	18%	0.176	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	112.8	167	-176	0	0	0	0	109.5	K358 I359 L576 D577	C345-K358 VanDerWaalsContact SG-CE 3.54Å; C345-I359 WeakPolarHBondContact CA-O 3.49Å; C345-L576 WeakPolarHBondContact CB-O 3.4Å; C345-L576 PolarHBondContact N-O 2.99Å; C345-D577 WeakPolarHBondContact CB-O 3.48Å
346	M	94	Very high	92.1	Very high	48 Å²	48	52.6 Å²	52.6	24%	0.236	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.6	-177	-68.4	-68.3	133	0	0	111.1	V344 K358 I359	V344-M346 HydrophobicContact CG2-CE 3.54Å; V344-M346 HydrophobicContact CG2-CG 3.79Å; V344-M346 HydrophobicContact CG2-SD 4.48Å; M346-K358 WeakPolarHBondContact O-CA 3.08Å; M346-I359 PolarHBondContact N-O 3.19Å; M346-I359 PolarHBondContact O-N 3.09Å
347	E	94	Very high	92.7	Very high	146 Å²	146	52 Å²	52	68%	0.682	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	130.6	165.2	-67.3	-172.5	171.9	0	0	109.5	I356 I357 K358	E347-I356 HydrophobicContact CB-CG2 4.23Å; E347-I357 WeakPolarHBondContact CA-O 3.27Å; E347-K358 HydrophobicContact CG-CB 4.3Å; E347-K358 HydrophobicContact CG-CG 4.44Å
348	R	93	Very high	93.1	Very high	20 Å²	20	52.1 Å²	52.1	8%	0.075	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	150.9	178.2	65.5	174.7	-176.6	78.3	-1.4	112.6	V313 N350 I357	V313-R348 PolarHBondContact O-NE 2.84Å; V313-R348 PolarHBondContact O-NH2 2.96Å; V313-R348 VanDerWaalsContact O-NH2 3.11Å; R348-N350 PolarHBondContact O-N 3.27Å; R348-I357 HydrophobicContact CG-CG1 4.06Å; R348-I357 PolarHBondContact N-O 2.84Å; R348-I357 WeakPolarHBondContact O-CG1 3.2Å; R348-I357 PolarHBondContact O-N 3.02Å
349	F	94.4	Very high	93.4	Very high	92 Å²	92	48.2 Å²	48.2	40%	0.404	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	126.1	170.8	-168.6	-104.7	0	0	0	110.9	Q351 Q354 I356	F349-Q351 HydrophobicContact CD1-CG 4.3Å; F349-Q351 HydrophobicContact CE1-CG 4.48Å; F349-Q354 HydrophobicContact CZ-CB 4.08Å; F349-I356 HydrophobicContact CD2-CG1 4.46Å
350	N	94.2	Very high	93.7	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	111.9	170.8	-174.2	-35	0	0	0	109.6	D287 R348 Q352 S353 Q354 K355 I357	D287-N350 PolarHBondContact OD1-ND2 3.04Å; D287-N350 PolarHBondContact OD1-OD1 3.18Å; R348-N350 PolarHBondContact O-N 3.27Å; N350-Q352 VanDerWaalsContact C-N 3.31Å; N350-Q352 PolarHBondContact O-N 2.84Å; N350-Q352 WeakPolarHBondContact OD1-CB 3.45Å; N350-Q352 PolarHBondContact OD1-N 2.88Å; N350-S353 WeakPolarHBondContact CB-OG 3.43Å; N350-S353 PolarHBondContact O-N 3.47Å; N350-S353 PolarHBondContact OD1-N 3.45Å; N350-Q354 VanDerWaalsContact O-CA 3.31Å; N350-Q354 WeakPolarHBondContact O-CA 3.37Å; N350-Q354 PolarHBondContact O-N 2.9Å; N350-K355 PolarHBondContact N-O 2.81Å; N350-K355 PolarHBondContact O-N 2.93Å; N350-I357 HydrophobicContact CB-CD1 4.02Å; N350-I357 HydrophobicContact CB-CG1 4.14Å; N350-I357 HydrophobicContact CB-CG2 4.04Å
351	Q	90.7	Very high	94.1	Very high	133 Å²	133	46.7 Å²	46.7	62%	0.621	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.5	-178.4	-71.6	179	-21.9	0	0	114	F349 Q354	F349-Q351 HydrophobicContact CD1-CG 4.3Å; F349-Q351 HydrophobicContact CE1-CG 4.48Å; Q351-Q354 PolarHBondContact O-NE2 3.47Å
352	Q	89.7	Confident	94.2	Very high	103 Å²	103	46.2 Å²	46.2	48%	0.481	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-47.7	-179.5	-64.7	-60.6	-40.2	0	0	110.6	D287 N350	D287-Q352 HydrophobicContact CB-CB 4.01Å; D287-Q352 HydrophobicContact CB-CG 3.92Å; D287-Q352 WeakPolarHBondContact OD2-CG 3.23Å; N350-Q352 VanDerWaalsContact C-N 3.31Å; N350-Q352 PolarHBondContact O-N 2.84Å; N350-Q352 WeakPolarHBondContact OD1-CB 3.45Å; N350-Q352 PolarHBondContact OD1-N 2.88Å
353	S	91.7	Very high	94.4	Very high	15 Å²	15	46.1 Å²	46.1	11%	0.105	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-11.3	-179.3	58.1	0	0	0	0	115.3	S290 N350 K355	S290-S353 WeakPolarHBondContact OG-CB 3.48Å; S290-S353 PolarHBondContact OG-OG 3.21Å; N350-S353 WeakPolarHBondContact CB-OG 3.43Å; N350-S353 PolarHBondContact O-N 3.47Å; N350-S353 PolarHBondContact OD1-N 3.45Å; S353-K355 PolarHBondContact O-N 3.29Å
354	Q	94.1	Very high	94.7	Very high	130 Å²	130	46.4 Å²	46.4	61%	0.607	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	34.9	-172	-59.5	-72.4	-58.5	0	0	113.9	F349 N350 Q351	F349-Q354 HydrophobicContact CZ-CB 4.08Å; N350-Q354 VanDerWaalsContact O-CA 3.31Å; N350-Q354 WeakPolarHBondContact O-CA 3.37Å; N350-Q354 PolarHBondContact O-N 2.9Å; Q351-Q354 PolarHBondContact O-NE2 3.47Å
355	K	92.8	Very high	94.9	Very high	83 Å²	83	46.6 Å²	46.6	36%	0.361	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	153	-179.5	-67.8	175.5	-173	170.9	0	110.9	S290 N350 S353	S290-K355 PolarHBondContact O-NZ 3.02Å; N350-K355 PolarHBondContact N-O 2.81Å; N350-K355 PolarHBondContact O-N 2.93Å; S353-K355 PolarHBondContact O-N 3.29Å
356	I	96.4	Very high	95	Very high	112 Å²	112	49 Å²	49	57%	0.574	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	130.1	162.9	-61.6	175.5	0	0	0	107.1	E347 F349	E347-I356 HydrophobicContact CB-CG2 4.23Å; F349-I356 HydrophobicContact CD2-CG1 4.46Å
357	I	97	Very high	95.2	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.5	174	64	169.1	0	0	0	110	I286 S290 D295 F297 E347 R348 N350 I359	I286-I357 HydrophobicContact CG2-CD1 3.41Å; I286-I357 VanDerWaalsContact CG2-CD1 3.41Å; S290-I357 WeakPolarHBondContact OG-CG2 3.44Å; D295-I357 CarbonylContact O-C 3.48Å; D295-I357 WeakPolarHBondContact O-CA 3.49Å; D295-I357 WeakPolarHBondContact O-CB 3.27Å; F297-I357 HydrophobicContact CD2-CD1 4.47Å; F297-I357 HydrophobicContact CE2-CB 4.38Å; F297-I357 HydrophobicContact CE2-CD1 4.24Å; F297-I357 HydrophobicContact CE2-CG2 4.43Å; E347-I357 WeakPolarHBondContact CA-O 3.27Å; R348-I357 HydrophobicContact CG-CG1 4.06Å; R348-I357 PolarHBondContact N-O 2.84Å; R348-I357 WeakPolarHBondContact O-CG1 3.2Å; R348-I357 PolarHBondContact O-N 3.02Å; N350-I357 HydrophobicContact CB-CD1 4.02Å; N350-I357 HydrophobicContact CB-CG1 4.14Å; N350-I357 HydrophobicContact CB-CG2 4.04Å; I357-I359 HydrophobicContact CD1-CD1 3.95Å; I357-I359 HydrophobicContact CD1-CG1 4.18Å
358	K	96.9	Very high	95.4	Very high	44 Å²	44	47.3 Å²	47.3	19%	0.191	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127	172.1	-180	-179.7	172.1	-169.6	0	109	D295 T296 F297 C345 M346 E347 E382	D295-K358 PolarHBondContact O-N 2.89Å; T296-K358 CarbonylContact C-O 3.48Å; T296-K358 VanDerWaalsContact CA-O 3.31Å; T296-K358 WeakPolarHBondContact CA-O 3.21Å; T296-K358 HydrophobicContact CG2-CB 4.31Å; T296-K358 HydrophobicContact CG2-CD 4.23Å; T296-K358 HydrophobicContact CG2-CG 4.37Å; F297-K358 PolarHBondContact N-O 2.97Å; C345-K358 VanDerWaalsContact SG-CE 3.54Å; M346-K358 WeakPolarHBondContact O-CA 3.08Å; E347-K358 HydrophobicContact CG-CB 4.3Å; E347-K358 HydrophobicContact CG-CG 4.44Å; K358-E382 IonicContact NZ-OE1 3.73Å; K358-E382 PolarHBondContact NZ-OE1 3.46Å; K358-E382 IonicContact NZ-OE2 2.85Å
359	I	97.2	Very high	95.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.3	174.3	-59	174.9	0	0	0	107.6	I286 F297 I299 C314 C345 M346 I357	I286-I359 HydrophobicContact CD1-CD1 4Å; F297-I359 HydrophobicContact CB-CG1 4.4Å; F297-I359 HydrophobicContact CD2-CG1 4.32Å; F297-I359 WeakPolarHBondContact O-CA 3.32Å; I299-I359 HydrophobicContact CD1-CG2 3.62Å; I299-I359 HydrophobicContact CG1-CG2 4.45Å; C314-I359 HydrophobicContact CB-CG2 4.49Å; C345-I359 WeakPolarHBondContact CA-O 3.49Å; M346-I359 PolarHBondContact N-O 3.19Å; M346-I359 PolarHBondContact O-N 3.09Å; I357-I359 HydrophobicContact CD1-CD1 3.95Å; I357-I359 HydrophobicContact CD1-CG1 4.18Å
360	S	96.8	Very high	95.9	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.007	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.6	176.4	-172.7	0	0	0	0	109.6	F297 V298 I299 V344 K378 D577	F297-S360 PolarHBondContact O-N 3.39Å; V298-S360 CarbonylContact C-O 3.6Å; V298-S360 WeakPolarHBondContact CA-O 3.32Å; I299-S360 PolarHBondContact N-O 3.3Å; V344-S360 CarbonylContact O-C 3.34Å; V344-S360 VanDerWaalsContact O-CA 3.24Å; V344-S360 WeakPolarHBondContact O-CA 3.17Å; S360-K378 WeakPolarHBondContact OG-CE 3.15Å; S360-K378 PolarHBondContact OG-NZ 3.23Å; S360-D577 PolarHBondContact OG-O 3.35Å
361	V	97.4	Very high	96.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122	169.5	-174	0	0	0	0	107.3	I299 M301 L310 C314 G343 V344 D577	I299-V361 HydrophobicContact CB-CG2 4.1Å; I299-V361 HydrophobicContact CD1-CG2 4.27Å; I299-V361 HydrophobicContact CG2-CG2 4.47Å; I299-V361 WeakPolarHBondContact O-CA 3.31Å; M301-V361 HydrophobicContact CG-CG1 4.31Å; L310-V361 HydrophobicContact CD2-CB 4.36Å; L310-V361 HydrophobicContact CD2-CG2 4.11Å; C314-V361 WeakPolarHBondContact SG-CG2 3.48Å; G343-V361 CarbonylContact C-O 3.45Å; G343-V361 WeakPolarHBondContact CA-O 3.41Å; V344-V361 HydrophobicContact CG1-CB 4Å; V344-V361 HydrophobicContact CG1-CG2 3.8Å; V344-V361 PolarHBondContact N-O 3.15Å; V344-V361 PolarHBondContact O-N 3.04Å; V361-D577 WeakPolarHBondContact O-CB 3.28Å
362	V	97.2	Very high	96.4	Very high	6 Å²	6	36.3 Å²	36.3	4%	0.036	18%	0.184	C	C	.	.			trans	-75.4	137.5	-178.8	-176.2	0	0	0	0	109.4	V298 I299 R306 V371 V374 V375 K378	V298-V362 HydrophobicContact CG1-CG2 3.87Å; I299-V362 PolarHBondContact O-N 3.01Å; R306-V362 PolarHBondContact NH2-O 3.22Å; V362-V371 HydrophobicContact CB-CG2 3.99Å; V362-V371 HydrophobicContact CG1-CG2 3.83Å; V362-V374 HydrophobicContact CG1-CG1 4.02Å; V362-V375 HydrophobicContact CB-CG2 3.81Å; V362-V375 HydrophobicContact CG1-CG2 4.49Å; V362-V375 HydrophobicContact CG2-CG2 3.54Å; V362-K378 HydrophobicContact CG2-CD 3.94Å
363	A	95.6	Very high	96.9	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.033	16%	0.161	C	C	.	.			trans	-68.4	141.7	172.9	0	0	0	0	0	110.1	H341 W756	H341-A363 WeakPolarHBondContact O-CA 3.43Å; H341-A363 WeakPolarHBondContact O-CB 3.36Å; A363-W756 HydrophobicContact CB-CB 4.06Å; A363-W756 HydrophobicContact CB-CD2 3.5Å; A363-W756 HydrophobicContact CB-CE3 3.92Å; A363-W756 HydrophobicContact CB-CG 3.56Å
364	N	97.3	Very high	97.2	Very high	8 Å²	8	30.9 Å²	30.9	4%	0.043	16%	0.158	C	C	.	.			trans	-144.2	150.1	-174.1	61.3	-88.8	0	0	0	112.7	M301 R306 H341 V371 W756	M301-N364 PolarHBondContact O-OD1 2.92Å; M301-N364 VanDerWaalsContact O-OD1 3.04Å; R306-N364 PolarHBondContact NH1-OD1 3.46Å; R306-N364 PolarHBondContact NH2-OD1 3.24Å; R306-N364 VanDerWaalsContact NH2-OD1 3.15Å; H341-N364 WeakPolarHBondContact CB-O 3.46Å; H341-N364 PolarHBondContact CD2-O 2.93Å; H341-N364 VanDerWaalsContact CD2-O 3.26Å; H341-N364 PolarHBondContact O-N 2.85Å; N364-V371 HydrophobicContact CB-CB 3.58Å; N364-V371 HydrophobicContact CB-CG1 3.98Å; N364-V371 HydrophobicContact CB-CG2 3.74Å; N364-W756 VanDerWaalsContact C-CZ2 3.49Å
365	P	97.3	Very high	97.4	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.019	13%	0.129	C	C	.	.			trans	-74.2	176.7	172.1	35.9	-37.8	0	0	0	111.2	H367 A370 Q747 F748	P365-H367 HydrophobicContact CB-CB 4.49Å; P365-H367 HydrophobicContact CG-CB 4.07Å; P365-H367 PolarHBondContact O-N 3.39Å; P365-A370 HydrophobicContact CG-CB 4.48Å; P365-Q747 HydrophobicContact CB-CB 3.83Å; P365-Q747 HydrophobicContact CB-CG 4.13Å; P365-Q747 HydrophobicContact CG-CB 3.77Å; P365-Q747 HydrophobicContact CG-CG 4.27Å; P365-F748 HydrophobicContact CG-CE2 3.84Å; P365-F748 HydrophobicContact CG-CZ 3.99Å
366	S	97.4	Very high	97.7	Very high	78 Å²	78	21 Å²	21	55%	0.545	11%	0.113	S	C	.	.	S	Bend	trans	-70.9	-8.4	169.9	-50.1	0	0	0	0	114	H341 L368	H341-S366 PolarHBondContact CE1-OG 3.24Å; H341-S366 PolarHBondContact NE2-N 3.14Å; H341-S366 PolarHBondContact NE2-OG 3.16Å; S366-L368 PolarHBondContact O-N 2.96Å
367	H	97.9	Very high	97.8	Very high	94 Å²	94	15.7 Å²	15.7	44%	0.435	9%	0.086	S	C	.	.	S	Bend	trans	-72	97.9	175.3	-62.5	73.5	0	0	0	107.9	P365 A370 Q747	P365-H367 HydrophobicContact CB-CB 4.49Å; P365-H367 HydrophobicContact CG-CB 4.07Å; P365-H367 PolarHBondContact O-N 3.39Å; H367-A370 HydrophobicContact CB-CB 4.1Å; H367-A370 VanDerWaalsContact O-CB 3.25Å; H367-A370 WeakPolarHBondContact O-CB 3.41Å; H367-A370 PolarHBondContact O-N 2.84Å; H367-Q747 VanDerWaalsContact CE1-CD 3.41Å; H367-Q747 PolarHBondContact CE1-NE2 3.28Å
368	L	98.1	Very high	97.8	Very high	64 Å²	64	15.7 Å²	15.7	34%	0.335	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	144	-172.2	-57.9	177.6	0	0	0	111.1	P302 S366 A370 A404	P302-L368 HydrophobicContact CB-CD2 4Å; S366-L368 PolarHBondContact O-N 2.96Å; L368-A370 PolarHBondContact O-N 2.82Å; L368-A404 HydrophobicContact CB-CB 3.79Å; L368-A404 HydrophobicContact CD1-CB 3.66Å; L368-A404 HydrophobicContact CG-CB 4.35Å
369	E	98.7	Very high	97.9	Very high	7 Å²	7	13.6 Å²	13.6	3%	0.033	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	-7.8	-179.7	-37.8	-53.1	170	0	0	115.5	V371 D372 H400 A404 Q408 I410 V411	E369-V371 PolarHBondContact O-N 3.08Å; E369-V371 VanDerWaalsContact O-N 3.08Å; E369-D372 WeakPolarHBondContact O-CB 3.45Å; E369-D372 VanDerWaalsContact O-CG 3.26Å; E369-D372 PolarHBondContact O-N 3.13Å; E369-H400 IonicContact OE1-ND1 3.7Å; E369-H400 IonicContact OE2-CE1 3.84Å; E369-H400 IonicContact OE2-CG 2.8Å; E369-H400 IonicContact OE2-ND1 2.72Å; E369-H400 PolarHBondContact OE2-ND1 2.98Å; E369-A404 HydrophobicContact CG-CB 3.97Å; E369-A404 WeakPolarHBondContact OE1-CB 3.48Å; E369-Q408 HydrophobicContact CB-CB 4.19Å; E369-Q408 HydrophobicContact CB-CG 4.49Å; E369-Q408 HydrophobicContact CG-CB 4.01Å; E369-Q408 HydrophobicContact CG-CG 4.05Å; E369-I410 HydrophobicContact CB-CG2 3.63Å; E369-I410 WeakPolarHBondContact O-CG2 3.38Å; E369-V411 HydrophobicContact CB-CG2 3.68Å; E369-V411 HydrophobicContact CG-CG2 3.58Å
370	A	98.6	Very high	97.9	Very high	2 Å²	2	15.3 Å²	15.3	2%	0.017	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.2	178	0	0	0	0	0	113.9	P365 H367 L368 F710 F748	P365-A370 HydrophobicContact CG-CB 4.48Å; H367-A370 HydrophobicContact CB-CB 4.1Å; H367-A370 VanDerWaalsContact O-CB 3.25Å; H367-A370 WeakPolarHBondContact O-CB 3.41Å; H367-A370 PolarHBondContact O-N 2.84Å; L368-A370 PolarHBondContact O-N 2.82Å; A370-F710 HydrophobicContact CB-CZ 4.38Å; A370-F748 HydrophobicContact CB-CE2 4.16Å
371	V	98.5	Very high	97.9	Very high	5 Å²	5	15.2 Å²	15.2	3%	0.03	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-20.7	177.1	67.8	0	0	0	0	113	V362 N364 E369 V374 V375 F748	V362-V371 HydrophobicContact CB-CG2 3.99Å; V362-V371 HydrophobicContact CG1-CG2 3.83Å; N364-V371 HydrophobicContact CB-CB 3.58Å; N364-V371 HydrophobicContact CB-CG1 3.98Å; N364-V371 HydrophobicContact CB-CG2 3.74Å; E369-V371 PolarHBondContact O-N 3.08Å; E369-V371 VanDerWaalsContact O-N 3.08Å; V371-V374 WeakPolarHBondContact O-CA 3.31Å; V371-V374 WeakPolarHBondContact O-CB 3.49Å; V371-V374 PolarHBondContact O-N 3.29Å; V371-V375 HydrophobicContact CG2-CG2 3.93Å; V371-V375 PolarHBondContact O-N 3.06Å; V371-F748 HydrophobicContact CB-CZ 4.29Å
372	D	98.8	Very high	97.9	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.011	9%	0.087	C	C	.	.	H	α-helix	trans	-54.8	-51.1	-173.6	-62.5	-3	0	0	0	112.8	E369 V374 V375 Q376 L398 H400 T414	E369-D372 WeakPolarHBondContact O-CB 3.45Å; E369-D372 VanDerWaalsContact O-CG 3.26Å; E369-D372 PolarHBondContact O-N 3.13Å; D372-V374 VanDerWaalsContact C-N 3.3Å; D372-V374 PolarHBondContact O-N 3.02Å; D372-V375 PolarHBondContact O-N 2.87Å; D372-Q376 PolarHBondContact O-N 3.21Å; D372-Q376 VanDerWaalsContact O-N 3.07Å; D372-L398 HydrophobicContact CB-CD1 4.14Å; D372-L398 HydrophobicContact CB-CD2 4.3Å; D372-H400 IonicContact OD1-CE1 3.65Å; D372-H400 IonicContact OD2-CE1 2.94Å; D372-H400 PolarHBondContact OD2-CE1 3.38Å; D372-H400 IonicContact OD2-ND1 3.51Å; D372-H400 PolarHBondContact OD2-ND1 3.28Å; D372-T414 HydrophobicContact CB-CG2 4.03Å
373	P	98.7	Very high	97.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.4	-31.4	176.5	28.2	-37	0	0	0	112.5	V375 Q376 G377 I410 T414 F417 G711 F715	P373-V375 VanDerWaalsContact C-N 3.3Å; P373-V375 PolarHBondContact O-N 2.87Å; P373-Q376 PolarHBondContact O-N 3.15Å; P373-G377 PolarHBondContact O-N 3.15Å; P373-I410 HydrophobicContact CG-CD1 3.54Å; P373-I410 HydrophobicContact CG-CG1 4.06Å; P373-T414 WeakPolarHBondContact CD-OG1 3.13Å; P373-F417 HydrophobicContact CB-CE2 4.04Å; P373-G711 WeakPolarHBondContact CB-O 3.47Å; P373-F715 VanDerWaalsContact O-CA 3.26Å; P373-F715 WeakPolarHBondContact O-CA 3.36Å
374	V	98.6	Very high	98	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.024	9%	0.093	C	C	.	.	H	α-helix	trans	-63	-40.1	176.3	-174.2	0	0	0	0	110.6	V362 V371 D372 G377 K378 G714 V717 G718 F748	V362-V374 HydrophobicContact CG1-CG1 4.02Å; V371-V374 WeakPolarHBondContact O-CA 3.31Å; V371-V374 WeakPolarHBondContact O-CB 3.49Å; V371-V374 PolarHBondContact O-N 3.29Å; D372-V374 VanDerWaalsContact C-N 3.3Å; D372-V374 PolarHBondContact O-N 3.02Å; V374-G377 PolarHBondContact O-N 3.44Å; V374-K378 WeakPolarHBondContact O-CB 3.5Å; V374-K378 PolarHBondContact O-N 3.06Å; V374-G714 VanDerWaalsContact CA-O 3.28Å; V374-G714 WeakPolarHBondContact CA-O 2.94Å; V374-G714 WeakPolarHBondContact CG2-O 3.34Å; V374-V717 HydrophobicContact CG1-CG1 4.47Å; V374-G718 WeakPolarHBondContact O-CA 2.92Å; V374-F748 HydrophobicContact CB-CE1 4.5Å; V374-F748 HydrophobicContact CG1-CE1 4.44Å; V374-F748 HydrophobicContact CG2-CD1 4.16Å; V374-F748 HydrophobicContact CG2-CE1 3.89Å; V374-F748 HydrophobicContact CG2-CE2 4.38Å; V374-F748 HydrophobicContact CG2-CZ 3.98Å
375	V	98.6	Very high	97.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67	-42.5	175	166.2	0	0	0	0	111.2	V298 V362 V371 D372 P373 K378 T379 L398	V298-V375 HydrophobicContact CB-CG1 4.33Å; V298-V375 HydrophobicContact CG1-CG1 3.93Å; V362-V375 HydrophobicContact CB-CG2 3.81Å; V362-V375 HydrophobicContact CG1-CG2 4.49Å; V362-V375 HydrophobicContact CG2-CG2 3.54Å; V371-V375 HydrophobicContact CG2-CG2 3.93Å; V371-V375 PolarHBondContact O-N 3.06Å; D372-V375 PolarHBondContact O-N 2.87Å; P373-V375 VanDerWaalsContact C-N 3.3Å; P373-V375 PolarHBondContact O-N 2.87Å; V375-K378 PolarHBondContact O-N 2.63Å; V375-T379 WeakPolarHBondContact O-CB 3.17Å; V375-T379 PolarHBondContact O-N 2.91Å; V375-T379 PolarHBondContact O-OG1 2.83Å; V375-L398 HydrophobicContact CB-CD2 3.81Å; V375-L398 HydrophobicContact CG1-CD2 3.63Å; V375-L398 HydrophobicContact CG1-CG 4.49Å; V375-L398 HydrophobicContact CG2-CD2 4.26Å
376	Q	98.5	Very high	97.8	Very high	7 Å²	7	25 Å²	25	3%	0.033	12%	0.119	C	C	.	.	H	α-helix	trans	-59.6	-48.2	174	-66.8	-55.8	-58.2	0	0	110.9	D372 P373 K378 T379 R380 S396 T414 C425 S428 F715	D372-Q376 PolarHBondContact O-N 3.21Å; D372-Q376 VanDerWaalsContact O-N 3.07Å; P373-Q376 PolarHBondContact O-N 3.15Å; Q376-K378 VanDerWaalsContact C-N 3.34Å; Q376-K378 PolarHBondContact O-N 2.9Å; Q376-T379 WeakPolarHBondContact O-CB 3.49Å; Q376-T379 PolarHBondContact O-N 3.14Å; Q376-T379 VanDerWaalsContact O-N 3.14Å; Q376-R380 PolarHBondContact O-N 3.08Å; Q376-S396 PolarHBondContact NE2-OG 3.01Å; Q376-T414 HydrophobicContact CG-CG2 3.58Å; Q376-C425 PolarHBondContact O-SG 3.12Å; Q376-C425 PolarHBondContact OE1-SG 3.4Å; Q376-C425 VanDerWaalsContact OE1-SG 3.4Å; Q376-S428 PolarHBondContact NE2-OG 3.06Å; Q376-S428 PolarHBondContact OE1-OG 3.48Å; Q376-F715 HydrophobicContact CB-CD2 3.75Å; Q376-F715 HydrophobicContact CB-CE2 3.83Å
377	G	98.2	Very high	97.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57	-45.4	177.9	0	0	0	0	0	113.7	P373 V374 R380 A381 F715	P373-G377 PolarHBondContact O-N 3.15Å; V374-G377 PolarHBondContact O-N 3.44Å; G377-R380 PolarHBondContact O-N 3.44Å; G377-A381 WeakPolarHBondContact O-CB 3.44Å; G377-A381 PolarHBondContact O-N 3.25Å; G377-F715 WeakPolarHBondContact CA-O 3.25Å
378	K	97.9	Very high	97.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.5	-41.7	175.7	174.4	162.2	171.4	166.5	0	112.2	V298 S360 V362 V374 V375 Q376 R380 A381 E382 D577 S578 G718	V298-K378 HydrophobicContact CG1-CB 4.3Å; V298-K378 HydrophobicContact CG1-CD 3.96Å; V298-K378 HydrophobicContact CG1-CG 3.92Å; V298-K378 HydrophobicContact CG2-CG 4.44Å; S360-K378 WeakPolarHBondContact OG-CE 3.15Å; S360-K378 PolarHBondContact OG-NZ 3.23Å; V362-K378 HydrophobicContact CG2-CD 3.94Å; V374-K378 WeakPolarHBondContact O-CB 3.5Å; V374-K378 PolarHBondContact O-N 3.06Å; V375-K378 PolarHBondContact O-N 2.63Å; Q376-K378 VanDerWaalsContact C-N 3.34Å; Q376-K378 PolarHBondContact O-N 2.9Å; K378-R380 VanDerWaalsContact C-N 3.35Å; K378-R380 PolarHBondContact O-N 2.98Å; K378-A381 PolarHBondContact O-N 3Å; K378-E382 WeakPolarHBondContact O-CG 3.47Å; K378-E382 PolarHBondContact O-N 3.42Å; K378-D577 VanDerWaalsContact NZ-CG 3.26Å; K378-D577 PolarHBondContact NZ-O 3.43Å; K378-D577 IonicContact NZ-OD2 3.72Å; K378-D577 PolarHBondContact NZ-OD2 2.95Å; K378-S578 WeakPolarHBondContact CE-OG 3.15Å; K378-S578 PolarHBondContact NZ-OG 2.97Å; K378-G718 WeakPolarHBondContact CA-O 3.27Å
379	T	98.2	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-46.8	176.2	-59.9	0	0	0	0	110.7	V298 V375 Q376 A381 E382 Q383 V394 C425	V298-T379 WeakPolarHBondContact CB-OG1 3.28Å; V375-T379 WeakPolarHBondContact O-CB 3.17Å; V375-T379 PolarHBondContact O-N 2.91Å; V375-T379 PolarHBondContact O-OG1 2.83Å; Q376-T379 WeakPolarHBondContact O-CB 3.49Å; Q376-T379 PolarHBondContact O-N 3.14Å; Q376-T379 VanDerWaalsContact O-N 3.14Å; T379-A381 VanDerWaalsContact C-N 3.34Å; T379-A381 PolarHBondContact O-N 3.17Å; T379-E382 PolarHBondContact O-N 3.11Å; T379-Q383 WeakPolarHBondContact O-CG 3.2Å; T379-Q383 PolarHBondContact O-N 3.46Å; T379-V394 HydrophobicContact CG2-CG1 4.01Å; T379-C425 HydrophobicContact CG2-CB 3.77Å
380	R	97.9	Very high	97.1	Very high	36 Å²	36	23.2 Å²	23.2	14%	0.136	13%	0.126	C	C	.	.	H	α-helix	trans	-62.4	-40.9	177.1	-174.5	63.4	172.4	165.6	-1.9	112.3	Q376 G377 K378 Q383 F384 P421 T424 H426 F715 F719	Q376-R380 PolarHBondContact O-N 3.08Å; G377-R380 PolarHBondContact O-N 3.44Å; K378-R380 VanDerWaalsContact C-N 3.35Å; K378-R380 PolarHBondContact O-N 2.98Å; R380-Q383 PolarHBondContact O-N 3.41Å; R380-F384 WeakPolarHBondContact O-CB 3.48Å; R380-F384 PolarHBondContact O-N 2.87Å; R380-P421 PolarHBondContact NH2-O 3.43Å; R380-T424 VanDerWaalsContact CD-O 3.31Å; R380-T424 WeakPolarHBondContact CD-O 3.33Å; R380-T424 PolarHBondContact NH1-O 3.32Å; R380-H426 PolarHBondContact NH1-NE2 3.44Å; R380-F715 HydrophobicContact CB-CE1 4.14Å; R380-F715 HydrophobicContact CB-CE2 4.22Å; R380-F715 HydrophobicContact CB-CZ 3.43Å; R380-F715 VanDerWaalsContact CB-CZ 3.43Å; R380-F715 HydrophobicContact CG-CE1 4.27Å; R380-F715 HydrophobicContact CG-CZ 3.72Å; R380-F719 HydrophobicContact CB-CD2 4.39Å; R380-F719 HydrophobicContact CB-CE2 4.41Å; R380-F719 HydrophobicContact CG-CD2 4.36Å; R380-F719 HydrophobicContact CG-CE2 4Å
381	A	97.2	Very high	97	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.7	-46	177.6	0	0	0	0	0	111.7	G377 K378 T379 Q383 F384 Y385 F719 T722	G377-A381 WeakPolarHBondContact O-CB 3.44Å; G377-A381 PolarHBondContact O-N 3.25Å; K378-A381 PolarHBondContact O-N 3Å; T379-A381 VanDerWaalsContact C-N 3.34Å; T379-A381 PolarHBondContact O-N 3.17Å; A381-Q383 VanDerWaalsContact C-N 3.31Å; A381-Q383 PolarHBondContact O-N 3.04Å; A381-F384 PolarHBondContact O-N 2.89Å; A381-Y385 HydrophobicContact CB-CD2 4.34Å; A381-Y385 HydrophobicContact CB-CE2 4.1Å; A381-Y385 WeakPolarHBondContact O-CD2 3.29Å; A381-Y385 PolarHBondContact O-N 3.21Å; A381-F719 HydrophobicContact CB-CB 4.4Å; A381-F719 HydrophobicContact CB-CD1 3.94Å; A381-F719 HydrophobicContact CB-CD2 3.76Å; A381-F719 HydrophobicContact CB-CE1 4.08Å; A381-F719 HydrophobicContact CB-CE2 3.9Å; A381-F719 HydrophobicContact CB-CG 3.78Å; A381-F719 HydrophobicContact CB-CZ 4.06Å; A381-T722 HydrophobicContact CB-CG2 3.77Å; A381-T722 WeakPolarHBondContact CB-OG1 3.21Å
382	E	96.9	Very high	96.9	Very high	21 Å²	21	27.6 Å²	27.6	10%	0.098	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-41.2	174.6	-73	-79.5	-171.9	0	0	111.3	K358 K378 T379 R386 V394 T722	K358-E382 IonicContact NZ-OE1 3.73Å; K358-E382 PolarHBondContact NZ-OE1 3.46Å; K358-E382 IonicContact NZ-OE2 2.85Å; K378-E382 WeakPolarHBondContact O-CG 3.47Å; K378-E382 PolarHBondContact O-N 3.42Å; T379-E382 PolarHBondContact O-N 3.11Å; E382-R386 VanDerWaalsContact O-CB 3.26Å; E382-R386 WeakPolarHBondContact O-CB 3.46Å; E382-R386 WeakPolarHBondContact O-CD 3.33Å; E382-R386 WeakPolarHBondContact O-CG 3.33Å; E382-R386 PolarHBondContact O-N 3.24Å; E382-V394 HydrophobicContact CB-CG1 3.89Å; E382-V394 HydrophobicContact CB-CG2 4.18Å; E382-T722 HydrophobicContact CG-CG2 3.89Å
383	Q	97.4	Very high	96.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-49.8	174.2	-72.7	173.1	-12.5	0	0	111.6	T379 R380 A381 R386 G387 D388 V394 C425	T379-Q383 WeakPolarHBondContact O-CG 3.2Å; T379-Q383 PolarHBondContact O-N 3.46Å; R380-Q383 PolarHBondContact O-N 3.41Å; A381-Q383 VanDerWaalsContact C-N 3.31Å; A381-Q383 PolarHBondContact O-N 3.04Å; Q383-R386 PolarHBondContact O-N 2.79Å; Q383-G387 PolarHBondContact O-N 2.99Å; Q383-D388 HydrophobicContact CB-CB 4.24Å; Q383-D388 HydrophobicContact CG-CB 4.39Å; Q383-D388 PolarHBondContact O-N 3.33Å; Q383-V394 HydrophobicContact CG-CB 3.73Å; Q383-V394 HydrophobicContact CG-CG1 4.42Å; Q383-V394 HydrophobicContact CG-CG2 4.11Å; Q383-V394 PolarHBondContact NE2-O 3.2Å; Q383-C425 PolarHBondContact NE2-O 2.81Å
384	F	96.7	Very high	96.8	Very high	41 Å²	41	31.7 Å²	31.7	18%	0.18	16%	0.163	C	C	.	.	H	α-helix	trans	-60.7	-51.1	-177.4	179.5	-89.1	0	0	0	112.4	R380 A381 R386 G387 H657 K699 F719	R380-F384 WeakPolarHBondContact O-CB 3.48Å; R380-F384 PolarHBondContact O-N 2.87Å; A381-F384 PolarHBondContact O-N 2.89Å; F384-R386 PolarHBondContact O-N 2.87Å; F384-G387 PolarHBondContact O-N 2.84Å; F384-H657 AromaticContact CD1-CE1 3.93Å; F384-H657 AromaticContact CE1-CE1 3.36Å; F384-H657 WeakPolarHBondContact CE1-CE1 3.34Å; F384-H657 AromaticContact CE1-CG 3.87Å; F384-H657 AromaticContact CE1-ND1 3.39Å; F384-H657 WeakPolarHBondContact CE1-ND1 3.39Å; F384-H657 AromaticContact CE1-NE2 3.82Å; F384-H657 AromaticContact CZ-CD2 3.94Å; F384-H657 AromaticContact CZ-CE1 3.5Å; F384-H657 AromaticContact CZ-ND1 3.91Å; F384-H657 AromaticContact CZ-NE2 3.51Å; F384-K699 HydrophobicContact CE2-CD 3.7Å; F384-K699 HydrophobicContact CE2-CG 4.41Å; F384-K699 HydrophobicContact CZ-CB 4.14Å; F384-K699 HydrophobicContact CZ-CD 3.76Å; F384-K699 HydrophobicContact CZ-CG 4.13Å; F384-F719 HydrophobicContact CB-CZ 4.35Å; F384-F719 HydrophobicContact CD1-CZ 4.46Å; F384-F719 HydrophobicContact CG-CZ 4.37Å
385	Y	95.5	Very high	96.8	Very high	72 Å²	72	31.5 Å²	31.5	28%	0.282	16%	0.162	S	C	.	.	H	α-helix	trans	-71.6	-16.4	-176.7	-66.2	-59.7	0	0	0	113.6	A381 H657 F719 T722 N723 A726	A381-Y385 HydrophobicContact CB-CD2 4.34Å; A381-Y385 HydrophobicContact CB-CE2 4.1Å; A381-Y385 WeakPolarHBondContact O-CD2 3.29Å; A381-Y385 PolarHBondContact O-N 3.21Å; Y385-H657 HydrophobicContact CE1-CB 4.3Å; Y385-H657 AromaticContact CE1-ND1 3.65Å; Y385-H657 AromaticContact CZ-ND1 3.57Å; Y385-H657 PolarHBondContact OH-ND1 3.19Å; Y385-F719 HydrophobicContact CE2-CE1 4.1Å; Y385-T722 HydrophobicContact CD2-CG2 4.33Å; Y385-N723 WeakPolarHBondContact CD1-ND2 3.37Å; Y385-N723 HydrophobicContact CD2-CB 3.87Å; Y385-N723 HydrophobicContact CE1-CB 4.16Å; Y385-N723 WeakPolarHBondContact CE1-ND2 3.32Å; Y385-N723 HydrophobicContact CE2-CB 3.3Å; Y385-N723 VanDerWaalsContact CZ-CB 3.47Å; Y385-N723 VanDerWaalsContact CZ-ND2 3.34Å; Y385-A726 WeakPolarHBondContact OH-CB 3.43Å
386	R	94.8	Very high	96.8	Very high	90 Å²	90	31.5 Å²	31.5	34%	0.34	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-0.4	176.8	-64.8	-178.7	65.4	180	-4.7	113.9	D295 T296 E382 Q383 F384 D388	D295-R386 IonicContact OD1-CZ 3.49Å; D295-R386 IonicContact OD1-NH1 2.89Å; D295-R386 PolarHBondContact OD1-NH1 3.2Å; D295-R386 IonicContact OD1-NH2 3.99Å; D295-R386 PolarHBondContact OD1-NH2 2.89Å; D295-R386 IonicContact OD2-CZ 3.75Å; D295-R386 IonicContact OD2-NH2 3.35Å; D295-R386 PolarHBondContact OD2-NH2 3.11Å; T296-R386 PolarHBondContact OG1-NH1 2.92Å; E382-R386 VanDerWaalsContact O-CB 3.26Å; E382-R386 WeakPolarHBondContact O-CB 3.46Å; E382-R386 WeakPolarHBondContact O-CD 3.33Å; E382-R386 WeakPolarHBondContact O-CG 3.33Å; E382-R386 PolarHBondContact O-N 3.24Å; Q383-R386 PolarHBondContact O-N 2.79Å; F384-R386 PolarHBondContact O-N 2.87Å; R386-D388 VanDerWaalsContact C-N 3.27Å; R386-D388 PolarHBondContact O-N 3.08Å
387	G	95.2	Very high	96.8	Very high	51 Å²	51	31.1 Å²	31.1	53%	0.526	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	35.3	-173.7	0	0	0	0	0	112.6	Q383 F384 D389	Q383-G387 PolarHBondContact O-N 2.99Å; F384-G387 PolarHBondContact O-N 2.84Å; G387-D389 VanDerWaalsContact C-N 3.32Å; G387-D389 PolarHBondContact O-N 3.35Å
388	D	96.5	Very high	96.8	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.027	16%	0.16	C	C	.	.			trans	-94.1	56.3	176.9	-172.8	31.6	0	0	0	110.9	Q383 R386 A390 G391 E392 K393 V394	Q383-D388 HydrophobicContact CB-CB 4.24Å; Q383-D388 HydrophobicContact CG-CB 4.39Å; Q383-D388 PolarHBondContact O-N 3.33Å; R386-D388 VanDerWaalsContact C-N 3.27Å; R386-D388 PolarHBondContact O-N 3.08Å; D388-A390 PolarHBondContact O-N 3.11Å; D388-A390 VanDerWaalsContact O-N 3.12Å; D388-G391 PolarHBondContact O-N 2.73Å; D388-G391 PolarHBondContact OD1-N 3.31Å; D388-G391 WeakPolarHBondContact OD2-CA 3.45Å; D388-E392 PolarHBondContact OD1-N 3.16Å; D388-E392 PolarHBondContact OD2-N 3.3Å; D388-K393 HydrophobicContact CB-CB 4.37Å; D388-K393 HydrophobicContact CB-CD 4.48Å; D388-K393 PolarHBondContact OD1-N 2.72Å; D388-K393 WeakPolarHBondContact OD2-CA 3.45Å; D388-K393 WeakPolarHBondContact OD2-CB 2.98Å; D388-K393 PolarHBondContact OD2-N 2.93Å; D388-V394 PolarHBondContact OD2-N 3.06Å
389	D	92.8	Very high	96.8	Very high	106 Å²	106	31.2 Å²	31.2	57%	0.567	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.8	-176.3	-68	-44.1	0	0	0	113.5	G387 H426	G387-D389 VanDerWaalsContact C-N 3.32Å; G387-D389 PolarHBondContact O-N 3.35Å; D389-H426 PolarHBondContact O-CE1 3.47Å; D389-H426 VanDerWaalsContact O-CE1 3.28Å; D389-H426 PolarHBondContact O-NE2 2.89Å; D389-H426 VanDerWaalsContact O-NE2 3.13Å
390	A	94.5	Very high	96.9	Very high	44 Å²	44	31.2 Å²	31.2	36%	0.364	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-3.7	175.9	0	0	0	0	0	113.5	D388 E392 K489	D388-A390 PolarHBondContact O-N 3.11Å; D388-A390 VanDerWaalsContact O-N 3.12Å; A390-E392 VanDerWaalsContact C-N 3.34Å; A390-E392 HydrophobicContact CB-CG 3.97Å; A390-E392 PolarHBondContact O-N 2.95Å; A390-K489 WeakPolarHBondContact O-CE 3.19Å
391	G	95	Very high	96.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	59.3	40.4	-176.7	0	0	0	0	0	113.4	D388 R485 K489	D388-G391 PolarHBondContact O-N 2.73Å; D388-G391 PolarHBondContact OD1-N 3.31Å; D388-G391 WeakPolarHBondContact OD2-CA 3.45Å; G391-R485 PolarHBondContact O-NH1 3.44Å; G391-R485 PolarHBondContact O-NH2 2.9Å; G391-K489 PolarHBondContact O-NZ 2.78Å
392	E	96.6	Very high	96.8	Very high	100 Å²	100	30.5 Å²	30.5	47%	0.467	16%	0.164	S	C	.	.	S	Bend	trans	-91.3	-22.6	-177.7	-74.5	-179.6	172.6	0	0	113.8	G293 V294 D388 A390 Q486 K489	G293-E392 CarbonylContact C-O 3.59Å; V294-E392 WeakPolarHBondContact CG2-O 3.38Å; V294-E392 PolarHBondContact N-O 2.85Å; D388-E392 PolarHBondContact OD1-N 3.16Å; D388-E392 PolarHBondContact OD2-N 3.3Å; A390-E392 VanDerWaalsContact C-N 3.34Å; A390-E392 HydrophobicContact CB-CG 3.97Å; A390-E392 PolarHBondContact O-N 2.95Å; E392-Q486 PolarHBondContact O-NE2 3.28Å; E392-K489 VanDerWaalsContact CG-NZ 3.32Å
393	K	97.6	Very high	96.8	Very high	87 Å²	87	30.8 Å²	30.8	38%	0.378	17%	0.17	S	C	.	.	S	Bend	trans	-108.3	-30	-171.4	-58.4	176.6	-173.5	167.3	0	113	V294 D295 T296 D388	V294-K393 CarbonylContact C-O 3.58Å; V294-K393 WeakPolarHBondContact CA-O 3.39Å; V294-K393 WeakPolarHBondContact CG1-O 3.38Å; D295-K393 PolarHBondContact N-O 3.12Å; T296-K393 PolarHBondContact N-O 3.18Å; D388-K393 HydrophobicContact CB-CB 4.37Å; D388-K393 HydrophobicContact CB-CD 4.48Å; D388-K393 PolarHBondContact OD1-N 2.72Å; D388-K393 WeakPolarHBondContact OD2-CA 3.45Å; D388-K393 WeakPolarHBondContact OD2-CB 2.98Å; D388-K393 PolarHBondContact OD2-N 2.93Å
394	V	98.1	Very high	96.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.8	-178.3	-168	0	0	0	0	110.5	T296 V298 T379 E382 Q383 D388 R485	T296-V394 HydrophobicContact CG2-CG1 3.98Å; T296-V394 WeakPolarHBondContact O-CA 3.49Å; V298-V394 HydrophobicContact CG2-CG1 4.34Å; T379-V394 HydrophobicContact CG2-CG1 4.01Å; E382-V394 HydrophobicContact CB-CG1 3.89Å; E382-V394 HydrophobicContact CB-CG2 4.18Å; Q383-V394 HydrophobicContact CG-CB 3.73Å; Q383-V394 HydrophobicContact CG-CG1 4.42Å; Q383-V394 HydrophobicContact CG-CG2 4.11Å; Q383-V394 PolarHBondContact NE2-O 3.2Å; D388-V394 PolarHBondContact OD2-N 3.06Å; V394-R485 PolarHBondContact O-NH2 3.07Å
395	M	98.2	Very high	96.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.5	179.5	-178.6	-175.4	-70	0	0	111.8	A289 V294 T296 F297 V298 I429 R485	A289-M395 HydrophobicContact CB-CE 3.69Å; A289-M395 HydrophobicContact CB-SD 4.1Å; V294-M395 HydrophobicContact CG1-CB 3.68Å; V294-M395 HydrophobicContact CG2-CB 4.37Å; V294-M395 HydrophobicContact CG2-CE 3.92Å; T296-M395 PolarHBondContact O-N 3.14Å; F297-M395 CarbonylContact C-O 3.51Å; F297-M395 VanDerWaalsContact CA-O 3.29Å; F297-M395 WeakPolarHBondContact CA-O 3.39Å; F297-M395 HydrophobicContact CD1-CB 4.29Å; F297-M395 HydrophobicContact CD1-SD 4.46Å; F297-M395 HydrophobicContact CE1-CB 4.45Å; F297-M395 HydrophobicContact CE1-SD 4.18Å; V298-M395 PolarHBondContact N-O 2.89Å; M395-I429 HydrophobicContact SD-CG1 3.84Å; M395-R485 HydrophobicContact CE-CB 4.36Å; M395-R485 VanDerWaalsContact CE-CD 3.48Å; M395-R485 HydrophobicContact CE-CG 4.01Å
396	S	98.3	Very high	96.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	137.9	167.5	33.6	0	0	0	0	111.3	V298 Q376 S428 I429	V298-S396 CarbonylContact O-C 3.34Å; V298-S396 VanDerWaalsContact O-CA 3.3Å; V298-S396 WeakPolarHBondContact O-CA 3.35Å; Q376-S396 PolarHBondContact NE2-OG 3.01Å; S396-S428 WeakPolarHBondContact OG-CB 3.39Å; S396-S428 PolarHBondContact OG-OG 3.47Å; S396-I429 PolarHBondContact O-N 3Å; S396-I429 VanDerWaalsContact O-N 3.12Å
397	I	98.7	Very high	97	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.8	167.8	-52.2	176	0	0	0	107.9	M282 I285 I286 F297 V298 I299 G300 L399 I429 I431	M282-I397 HydrophobicContact CE-CB 4.49Å; M282-I397 HydrophobicContact CE-CD1 4.13Å; M282-I397 HydrophobicContact CE-CG2 3.95Å; M282-I397 HydrophobicContact SD-CG2 3.89Å; I285-I397 HydrophobicContact CG2-CD1 3.93Å; I286-I397 HydrophobicContact CG1-CD1 4.11Å; F297-I397 HydrophobicContact CD1-CD1 3.91Å; F297-I397 HydrophobicContact CD1-CG1 4.48Å; V298-I397 PolarHBondContact O-N 3.13Å; I299-I397 VanDerWaalsContact CA-O 3.27Å; I299-I397 WeakPolarHBondContact CA-O 3.44Å; I299-I397 HydrophobicContact CG1-CB 4.37Å; G300-I397 PolarHBondContact N-O 3.42Å; I397-L399 HydrophobicContact CG2-CD1 3.96Å; I397-I429 CarbonylContact C-O 3.23Å; I397-I429 WeakPolarHBondContact CA-O 3.48Å; I397-I429 HydrophobicContact CG2-CB 4.49Å; I397-I431 HydrophobicContact CG2-CD1 4.22Å
398	L	98.8	Very high	97.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.1	-179.9	-67.5	175.6	0	0	0	109.6	D372 V375 H400 T414 I429 H430 I431	D372-L398 HydrophobicContact CB-CD1 4.14Å; D372-L398 HydrophobicContact CB-CD2 4.3Å; V375-L398 HydrophobicContact CB-CD2 3.81Å; V375-L398 HydrophobicContact CG1-CD2 3.63Å; V375-L398 HydrophobicContact CG1-CG 4.49Å; V375-L398 HydrophobicContact CG2-CD2 4.26Å; L398-H400 WeakPolarHBondContact CB-NE2 3.36Å; L398-T414 HydrophobicContact CD1-CG2 4.45Å; L398-I429 PolarHBondContact N-O 2.65Å; L398-H430 CarbonylContact O-C 3.5Å; L398-H430 VanDerWaalsContact O-CA 3.29Å; L398-H430 WeakPolarHBondContact O-CA 3.47Å; L398-I431 PolarHBondContact O-N 3.5Å
399	L	98.7	Very high	97.2	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140	176.1	-69.6	81	0	0	0	108.9	L278 M282 I299 G300 M301 P302 I309 I397 I431	L278-L399 HydrophobicContact CD1-CD2 3.91Å; L278-L399 HydrophobicContact CD2-CD2 4.03Å; L278-L399 HydrophobicContact CG-CD2 4.4Å; M282-L399 HydrophobicContact CE-CD1 3.99Å; M282-L399 HydrophobicContact SD-CD1 3.92Å; M282-L399 HydrophobicContact SD-CD2 4.26Å; M282-L399 HydrophobicContact SD-CG 4.41Å; I299-L399 HydrophobicContact CG2-CD1 3.77Å; G300-L399 PolarHBondContact O-N 3.28Å; M301-L399 HydrophobicContact CB-CB 3.68Å; M301-L399 HydrophobicContact CB-CD1 4.1Å; M301-L399 HydrophobicContact CB-CD2 4.3Å; M301-L399 HydrophobicContact CB-CG 4.24Å; M301-L399 HydrophobicContact CE-CD2 4.15Å; P302-L399 WeakPolarHBondContact CD-O 3.04Å; I309-L399 HydrophobicContact CD1-CD2 3.43Å; I309-L399 VanDerWaalsContact CD1-CD2 3.43Å; I397-L399 HydrophobicContact CG2-CD1 3.96Å; L399-I431 CarbonylContact C-O 3.3Å; L399-I431 VanDerWaalsContact CA-O 3.28Å; L399-I431 WeakPolarHBondContact CA-O 3.47Å; L399-I431 HydrophobicContact CG-CB 4.3Å
400	H	98.7	Very high	97.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	161.8	-173.8	-47.6	-80.5	0	0	0	111.5	E369 D372 L398 F405 H430 I431 V432 V433	E369-H400 IonicContact OE1-ND1 3.7Å; E369-H400 IonicContact OE2-CE1 3.84Å; E369-H400 IonicContact OE2-CG 2.8Å; E369-H400 IonicContact OE2-ND1 2.72Å; E369-H400 PolarHBondContact OE2-ND1 2.98Å; D372-H400 IonicContact OD1-CE1 3.65Å; D372-H400 IonicContact OD2-CE1 2.94Å; D372-H400 PolarHBondContact OD2-CE1 3.38Å; D372-H400 IonicContact OD2-ND1 3.51Å; D372-H400 PolarHBondContact OD2-ND1 3.28Å; L398-H400 WeakPolarHBondContact CB-NE2 3.36Å; H400-F405 HydrophobicContact CB-CB 3.95Å; H400-F405 HydrophobicContact CB-CD2 3.6Å; H400-F405 HydrophobicContact CB-CE2 4.46Å; H400-F405 HydrophobicContact CB-CG 4.11Å; H400-F405 AromaticContact CD2-CD2 3.44Å; H400-F405 VanDerWaalsContact CD2-CD2 3.44Å; H400-F405 WeakPolarHBondContact CD2-CD2 3.28Å; H400-F405 AromaticContact CD2-CE2 3.41Å; H400-F405 VanDerWaalsContact CD2-CE2 3.41Å; H400-F405 WeakPolarHBondContact CD2-CE2 3.27Å; H400-F405 AromaticContact CE1-CD2 3.93Å; H400-F405 AromaticContact CE1-CE2 3.88Å; H400-F405 AromaticContact CG-CD2 3.28Å; H400-F405 AromaticContact CG-CE2 3.76Å; H400-F405 AromaticContact ND1-CD2 3.63Å; H400-F405 AromaticContact NE2-CD2 3.86Å; H400-F405 AromaticContact NE2-CE2 3.5Å; H400-H430 AromaticContact CD2-ND1 3.97Å; H400-H430 AromaticContact CE1-ND1 3.84Å; H400-H430 AromaticContact NE2-CE1 3.98Å; H400-H430 AromaticContact NE2-CG 3.81Å; H400-H430 AromaticContact NE2-ND1 2.96Å; H400-H430 PolarHBondContact NE2-ND1 2.87Å; H400-I431 PolarHBondContact N-O 3.11Å; H400-V432 HydrophobicContact CB-CG2 4.32Å; H400-V433 PolarHBondContact O-N 3.05Å
401	G	97.5	Very high	97.7	Very high	19 Å²	19	22.9 Å²	22.9	20%	0.196	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	147	163.1	0	0	0	0	0	110.6	A403 A404 F405	G401-A403 PolarHBondContact O-N 3.43Å; G401-A404 PolarHBondContact O-N 3.44Å; G401-A404 VanDerWaalsContact O-N 3.15Å; G401-F405 WeakPolarHBondContact O-CB 3.33Å; G401-F405 PolarHBondContact O-N 3.21Å
402	D	96.6	Very high	97.8	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.011	17%	0.17	C	C	.	.	H	α-helix	trans	-54.6	-45.8	-175.6	52.4	-70.4	0	0	0	114.1	S406 V432 N434 N435 I437 C452	D402-S406 PolarHBondContact O-N 2.77Å; D402-S406 PolarHBondContact O-OG 3.18Å; D402-V432 HydrophobicContact CB-CG1 4.25Å; D402-N434 HydrophobicContact CB-CB 4.07Å; D402-N435 PolarHBondContact OD1-N 3.25Å; D402-N435 PolarHBondContact OD1-ND2 2.88Å; D402-I437 PolarHBondContact OD2-N 3.12Å; D402-C452 HydrophobicContact CB-CB 3.91Å; D402-C452 WeakPolarHBondContact O-CB 3.23Å
403	A	96.5	Very high	97.9	Very high	27 Å²	27	25.9 Å²	25.9	22%	0.223	16%	0.158	C	C	.	.	H	α-helix	trans	-70.1	-34.7	-179.8	0	0	0	0	0	112.9	G401 S406 G407	G401-A403 PolarHBondContact O-N 3.43Å; A403-S406 PolarHBondContact O-OG 3.46Å; A403-G407 PolarHBondContact O-N 3.04Å; A403-G407 VanDerWaalsContact O-N 3.11Å
404	A	98.1	Very high	97.9	Very high	7 Å²	7	22 Å²	22	6%	0.058	14%	0.142	C	C	.	.	H	α-helix	trans	-78.2	-40.9	-179	0	0	0	0	0	111.5	L368 E369 G401 S406 G407 Q408	L368-A404 HydrophobicContact CB-CB 3.79Å; L368-A404 HydrophobicContact CD1-CB 3.66Å; L368-A404 HydrophobicContact CG-CB 4.35Å; E369-A404 HydrophobicContact CG-CB 3.97Å; E369-A404 WeakPolarHBondContact OE1-CB 3.48Å; G401-A404 PolarHBondContact O-N 3.44Å; G401-A404 VanDerWaalsContact O-N 3.15Å; A404-S406 VanDerWaalsContact C-N 3.25Å; A404-S406 PolarHBondContact O-N 3.2Å; A404-G407 PolarHBondContact O-N 3.16Å; A404-Q408 HydrophobicContact CB-CG 4.37Å; A404-Q408 WeakPolarHBondContact O-CB 3.5Å; A404-Q408 WeakPolarHBondContact O-CG 3.16Å; A404-Q408 PolarHBondContact O-N 3.5Å
405	F	98.2	Very high	97.9	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-56.7	-39.6	176.6	-165.3	-107.8	0	0	0	112.6	H400 G401 V411 F415 V432 C452 T453 V455 V493	H400-F405 HydrophobicContact CB-CB 3.95Å; H400-F405 HydrophobicContact CB-CD2 3.6Å; H400-F405 HydrophobicContact CB-CE2 4.46Å; H400-F405 HydrophobicContact CB-CG 4.11Å; H400-F405 AromaticContact CD2-CD2 3.44Å; H400-F405 VanDerWaalsContact CD2-CD2 3.44Å; H400-F405 WeakPolarHBondContact CD2-CD2 3.28Å; H400-F405 AromaticContact CD2-CE2 3.41Å; H400-F405 VanDerWaalsContact CD2-CE2 3.41Å; H400-F405 WeakPolarHBondContact CD2-CE2 3.27Å; H400-F405 AromaticContact CE1-CD2 3.93Å; H400-F405 AromaticContact CE1-CE2 3.88Å; H400-F405 AromaticContact CG-CD2 3.28Å; H400-F405 AromaticContact CG-CE2 3.76Å; H400-F405 AromaticContact ND1-CD2 3.63Å; H400-F405 AromaticContact NE2-CD2 3.86Å; H400-F405 AromaticContact NE2-CE2 3.5Å; G401-F405 WeakPolarHBondContact O-CB 3.33Å; G401-F405 PolarHBondContact O-N 3.21Å; F405-V411 HydrophobicContact CD2-CG1 3.67Å; F405-V411 HydrophobicContact CD2-CG2 4.41Å; F405-V411 HydrophobicContact CE2-CG1 3.6Å; F405-V411 HydrophobicContact CG-CG1 4.3Å; F405-V411 HydrophobicContact CZ-CG1 4.14Å; F405-F415 HydrophobicContact CE1-CE2 4.38Å; F405-F415 AromaticContact CE2-CE2 3.91Å; F405-F415 HydrophobicContact CE2-CE2 3.91Å; F405-F415 HydrophobicContact CE2-CZ 4.19Å; F405-F415 AromaticContact CZ-CE2 3.49Å; F405-F415 HydrophobicContact CZ-CE2 3.49Å; F405-F415 VanDerWaalsContact CZ-CE2 3.49Å; F405-F415 AromaticContact CZ-CZ 3.67Å; F405-F415 HydrophobicContact CZ-CZ 3.67Å; F405-V432 HydrophobicContact CB-CG1 4.46Å; F405-V432 HydrophobicContact CB-CG2 4.47Å; F405-V432 HydrophobicContact CD1-CG2 3.86Å; F405-V432 HydrophobicContact CD2-CG2 4.16Å; F405-V432 HydrophobicContact CE1-CG2 4.06Å; F405-V432 HydrophobicContact CE2-CG2 4.32Å; F405-V432 HydrophobicContact CG-CG2 3.9Å; F405-V432 HydrophobicContact CZ-CG2 4.25Å; F405-C452 WeakPolarHBondContact CD1-O 3.48Å; F405-T453 HydrophobicContact CD1-CG2 4.46Å; F405-T453 HydrophobicContact CE1-CG2 4.18Å; F405-V455 HydrophobicContact CD1-CG1 3.68Å; F405-V455 HydrophobicContact CE1-CG1 3.31Å; F405-V455 HydrophobicContact CG-CG1 4.48Å; F405-V455 HydrophobicContact CZ-CG1 3.9Å; F405-V493 HydrophobicContact CZ-CG1 4.48Å
406	S	96.5	Very high	97.8	Very high	39 Å²	39	24.8 Å²	24.8	27%	0.273	16%	0.156	S	C	.	.	H	α-helix	trans	-87.6	-21	179.3	52.7	0	0	0	0	114.3	D402 A403 A404	D402-S406 PolarHBondContact O-N 2.77Å; D402-S406 PolarHBondContact O-OG 3.18Å; A403-S406 PolarHBondContact O-OG 3.46Å; A404-S406 VanDerWaalsContact C-N 3.25Å; A404-S406 PolarHBondContact O-N 3.2Å
407	G	96.6	Very high	97.8	Very high	51 Å²	51	24.8 Å²	24.8	53%	0.526	16%	0.156	S	C	.	.	H	α-helix	trans	-104.2	-22.2	-172.2	0	0	0	0	0	115.8	A403 A404	A403-G407 PolarHBondContact O-N 3.04Å; A403-G407 VanDerWaalsContact O-N 3.11Å; A404-G407 PolarHBondContact O-N 3.16Å
408	Q	98.2	Very high	97.5	Very high	92 Å²	92	25.5 Å²	25.5	43%	0.43	16%	0.161	S	C	.	.			trans	-94.9	118.7	-176.5	-63.5	-60.7	-45.8	0	0	111.5	E369 A404 I410 V411	E369-Q408 HydrophobicContact CB-CB 4.19Å; E369-Q408 HydrophobicContact CB-CG 4.49Å; E369-Q408 HydrophobicContact CG-CB 4.01Å; E369-Q408 HydrophobicContact CG-CG 4.05Å; A404-Q408 HydrophobicContact CB-CG 4.37Å; A404-Q408 WeakPolarHBondContact O-CB 3.5Å; A404-Q408 WeakPolarHBondContact O-CG 3.16Å; A404-Q408 PolarHBondContact O-N 3.5Å; Q408-I410 HydrophobicContact CB-CG2 4.22Å; Q408-I410 PolarHBondContact O-N 3.23Å; Q408-I410 VanDerWaalsContact O-N 3.13Å; Q408-V411 HydrophobicContact CB-CG2 4.27Å; Q408-V411 WeakPolarHBondContact O-CB 3.45Å; Q408-V411 WeakPolarHBondContact O-CG2 3.36Å; Q408-V411 PolarHBondContact O-N 3.36Å; Q408-V411 VanDerWaalsContact O-N 3.08Å
409	G	97.9	Very high	97.2	Very high	49 Å²	49	29.9 Å²	29.9	51%	0.505	19%	0.192	S	C	.	.	H	α-helix	trans	-59.9	-24.9	-179.2	0	0	0	0	0	114.6	V411 Y412 E413	G409-V411 PolarHBondContact O-N 3.07Å; G409-Y412 WeakPolarHBondContact O-CB 3.49Å; G409-Y412 PolarHBondContact O-N 3.34Å; G409-Y412 VanDerWaalsContact O-N 3.16Å; G409-E413 PolarHBondContact O-N 3.29Å; G409-E413 VanDerWaalsContact O-N 3.14Å
410	I	98.3	Very high	97	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-64.2	-23.4	177.1	-161.7	172.6	0	0	0	113.2	E369 P373 Q408 E413 T414 F710	E369-I410 HydrophobicContact CB-CG2 3.63Å; E369-I410 WeakPolarHBondContact O-CG2 3.38Å; P373-I410 HydrophobicContact CG-CD1 3.54Å; P373-I410 HydrophobicContact CG-CG1 4.06Å; Q408-I410 HydrophobicContact CB-CG2 4.22Å; Q408-I410 PolarHBondContact O-N 3.23Å; Q408-I410 VanDerWaalsContact O-N 3.13Å; I410-E413 PolarHBondContact O-N 3.14Å; I410-T414 WeakPolarHBondContact O-CB 3.38Å; I410-T414 PolarHBondContact O-N 3.03Å; I410-T414 PolarHBondContact O-OG1 3.24Å; I410-F710 HydrophobicContact CB-CD1 3.95Å; I410-F710 HydrophobicContact CB-CE1 3.83Å; I410-F710 HydrophobicContact CB-CZ 4.33Å; I410-F710 HydrophobicContact CD1-CD1 3.98Å; I410-F710 HydrophobicContact CD1-CD2 3.56Å; I410-F710 HydrophobicContact CD1-CE1 3.8Å; I410-F710 HydrophobicContact CD1-CE2 3.35Å; I410-F710 HydrophobicContact CD1-CG 3.88Å; I410-F710 HydrophobicContact CD1-CZ 3.49Å; I410-F710 VanDerWaalsContact CD1-CZ 3.49Å; I410-F710 HydrophobicContact CG1-CD1 4.12Å; I410-F710 HydrophobicContact CG1-CD2 4.4Å; I410-F710 HydrophobicContact CG1-CE1 4.21Å; I410-F710 HydrophobicContact CG1-CE2 4.46Å; I410-F710 HydrophobicContact CG1-CG 4.23Å; I410-F710 HydrophobicContact CG1-CZ 4.38Å; I410-F710 HydrophobicContact CG2-CE1 4.45Å
411	V	98.6	Very high	96.8	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-64.8	-46.5	174.7	177	0	0	0	0	109.9	E369 F405 Q408 G409 T414 F415 V455	E369-V411 HydrophobicContact CB-CG2 3.68Å; E369-V411 HydrophobicContact CG-CG2 3.58Å; F405-V411 HydrophobicContact CD2-CG1 3.67Å; F405-V411 HydrophobicContact CD2-CG2 4.41Å; F405-V411 HydrophobicContact CE2-CG1 3.6Å; F405-V411 HydrophobicContact CG-CG1 4.3Å; F405-V411 HydrophobicContact CZ-CG1 4.14Å; Q408-V411 HydrophobicContact CB-CG2 4.27Å; Q408-V411 WeakPolarHBondContact O-CB 3.45Å; Q408-V411 WeakPolarHBondContact O-CG2 3.36Å; Q408-V411 PolarHBondContact O-N 3.36Å; Q408-V411 VanDerWaalsContact O-N 3.08Å; G409-V411 PolarHBondContact O-N 3.07Å; V411-T414 PolarHBondContact O-N 3.24Å; V411-F415 HydrophobicContact CG1-CD2 3.97Å; V411-F415 HydrophobicContact CG1-CE2 3.79Å; V411-F415 VanDerWaalsContact O-CD2 3.32Å; V411-F415 WeakPolarHBondContact O-CD2 3.38Å; V411-F415 PolarHBondContact O-N 2.96Å; V411-V455 HydrophobicContact CG1-CG1 3.99Å; V411-V455 HydrophobicContact CG1-CG2 4.46Å
412	Y	97.8	Very high	96.6	Very high	118 Å²	118	37.5 Å²	37.5	46%	0.463	24%	0.237	S	C	.	.	H	α-helix	trans	-60.5	-48.2	173.3	167.7	-86.2	0	0	0	111.1	G409 T414 F415 D416 V458	G409-Y412 WeakPolarHBondContact O-CB 3.49Å; G409-Y412 PolarHBondContact O-N 3.34Å; G409-Y412 VanDerWaalsContact O-N 3.16Å; Y412-T414 PolarHBondContact O-N 3.12Å; Y412-F415 PolarHBondContact O-N 2.81Å; Y412-F415 VanDerWaalsContact O-N 3.15Å; Y412-D416 PolarHBondContact O-N 2.66Å; Y412-V458 HydrophobicContact CD2-CG1 4.28Å; Y412-V458 HydrophobicContact CD2-CG2 4.2Å; Y412-V458 HydrophobicContact CE2-CB 4.39Å; Y412-V458 HydrophobicContact CE2-CG1 4.47Å; Y412-V458 HydrophobicContact CE2-CG2 3.62Å
413	E	98.2	Very high	96.7	Very high	46 Å²	46	37.6 Å²	37.6	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-32.8	179.4	-68.5	-175.3	-141.9	0	0	112	G409 I410 D416 S708 G711	G409-E413 PolarHBondContact O-N 3.29Å; G409-E413 VanDerWaalsContact O-N 3.14Å; I410-E413 PolarHBondContact O-N 3.14Å; E413-D416 WeakPolarHBondContact O-CB 3.4Å; E413-S708 WeakPolarHBondContact OE2-CB 3.25Å; E413-S708 PolarHBondContact OE2-OG 3.21Å; E413-G711 PolarHBondContact OE2-N 3.47Å
414	T	98.4	Very high	96.7	Very high	6 Å²	6	37 Å²	37	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-73.9	-39.9	176.9	-55	0	0	0	0	111.9	D372 P373 Q376 L398 I410 V411 Y412 D416 F417	D372-T414 HydrophobicContact CB-CG2 4.03Å; P373-T414 WeakPolarHBondContact CD-OG1 3.13Å; Q376-T414 HydrophobicContact CG-CG2 3.58Å; L398-T414 HydrophobicContact CD1-CG2 4.45Å; I410-T414 WeakPolarHBondContact O-CB 3.38Å; I410-T414 PolarHBondContact O-N 3.03Å; I410-T414 PolarHBondContact O-OG1 3.24Å; V411-T414 PolarHBondContact O-N 3.24Å; Y412-T414 PolarHBondContact O-N 3.12Å; T414-D416 VanDerWaalsContact C-N 3.26Å; T414-D416 PolarHBondContact O-N 3.08Å; T414-F417 HydrophobicContact CG2-CD2 4.32Å; T414-F417 WeakPolarHBondContact O-CB 3.49Å; T414-F417 PolarHBondContact O-N 2.95Å
415	F	98.2	Very high	96.6	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-36	173.4	-87.1	-58.8	0	0	0	112.3	F405 V411 Y412 F417 S418 H430 V455 A456 V458 V459 D491 V493	F405-F415 HydrophobicContact CE1-CE2 4.38Å; F405-F415 AromaticContact CE2-CE2 3.91Å; F405-F415 HydrophobicContact CE2-CE2 3.91Å; F405-F415 HydrophobicContact CE2-CZ 4.19Å; F405-F415 AromaticContact CZ-CE2 3.49Å; F405-F415 HydrophobicContact CZ-CE2 3.49Å; F405-F415 VanDerWaalsContact CZ-CE2 3.49Å; F405-F415 AromaticContact CZ-CZ 3.67Å; F405-F415 HydrophobicContact CZ-CZ 3.67Å; V411-F415 HydrophobicContact CG1-CD2 3.97Å; V411-F415 HydrophobicContact CG1-CE2 3.79Å; V411-F415 VanDerWaalsContact O-CD2 3.32Å; V411-F415 WeakPolarHBondContact O-CD2 3.38Å; V411-F415 PolarHBondContact O-N 2.96Å; Y412-F415 PolarHBondContact O-N 2.81Å; Y412-F415 VanDerWaalsContact O-N 3.15Å; F415-F417 PolarHBondContact O-N 3.49Å; F415-F417 VanDerWaalsContact O-N 3.09Å; F415-S418 WeakPolarHBondContact O-CB 3.36Å; F415-S418 PolarHBondContact O-N 3.21Å; F415-S418 PolarHBondContact O-OG 2.77Å; F415-H430 AromaticContact CE1-CD2 3.82Å; F415-H430 AromaticContact CE1-CE1 3.62Å; F415-H430 AromaticContact CE1-NE2 3.4Å; F415-H430 WeakPolarHBondContact CE1-NE2 3.38Å; F415-H430 AromaticContact CZ-CE1 3.6Å; F415-H430 AromaticContact CZ-ND1 3.78Å; F415-H430 AromaticContact CZ-NE2 3.79Å; F415-V455 HydrophobicContact CE2-CG1 4.19Å; F415-A456 HydrophobicContact CE1-CB 4.22Å; F415-A456 HydrophobicContact CE2-CB 4.04Å; F415-A456 HydrophobicContact CZ-CB 3.71Å; F415-V458 HydrophobicContact CB-CG1 4.05Å; F415-V459 HydrophobicContact CB-CG1 3.96Å; F415-V459 HydrophobicContact CD1-CG1 4.45Å; F415-V459 HydrophobicContact CD1-CG2 3.66Å; F415-V459 HydrophobicContact CE1-CG2 4.21Å; F415-V459 HydrophobicContact CG-CG2 4.33Å; F415-V459 VanDerWaalsContact O-CG1 3.23Å; F415-V459 WeakPolarHBondContact O-CG1 3.3Å; F415-D491 VanDerWaalsContact CD1-OD2 3.28Å; F415-D491 WeakPolarHBondContact CD1-OD2 3.47Å; F415-D491 HydrophobicContact CE1-CB 4.19Å; F415-D491 WeakPolarHBondContact CE1-OD2 3.49Å; F415-V493 HydrophobicContact CZ-CG2 4.25Å
416	D	95.9	Very high	96.6	Very high	56 Å²	56	38.2 Å²	38.2	30%	0.299	24%	0.236	S	C	.	.	H	α-helix	trans	-54	-31.1	177.1	-169.4	50.9	0	0	0	112.1	Y412 E413 T414 S418 L420 S706	Y412-D416 PolarHBondContact O-N 2.66Å; E413-D416 WeakPolarHBondContact O-CB 3.4Å; T414-D416 VanDerWaalsContact C-N 3.26Å; T414-D416 PolarHBondContact O-N 3.08Å; D416-S418 VanDerWaalsContact C-N 3.27Å; D416-S418 PolarHBondContact O-N 3.4Å; D416-L420 WeakPolarHBondContact O-CG 3.36Å; D416-S706 WeakPolarHBondContact OD2-CB 3.45Å; D416-S706 PolarHBondContact OD2-OG 3.25Å
417	F	97.1	Very high	96.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-66.9	-21.9	177.5	-57.3	-32.5	0	0	0	115	P373 T414 F415 S419 L420 Y423 T424 G711 V712 F715	P373-F417 HydrophobicContact CB-CE2 4.04Å; T414-F417 HydrophobicContact CG2-CD2 4.32Å; T414-F417 WeakPolarHBondContact O-CB 3.49Å; T414-F417 PolarHBondContact O-N 2.95Å; F415-F417 PolarHBondContact O-N 3.49Å; F415-F417 VanDerWaalsContact O-N 3.09Å; F417-S419 PolarHBondContact O-N 2.79Å; F417-L420 HydrophobicContact CD1-CD1 4.17Å; F417-L420 PolarHBondContact O-N 2.84Å; F417-L420 VanDerWaalsContact O-N 3.12Å; F417-Y423 HydrophobicContact CD1-CD1 4.32Å; F417-Y423 HydrophobicContact CD1-CG 4.1Å; F417-Y423 HydrophobicContact CE1-CD1 4.45Å; F417-T424 VanDerWaalsContact O-CA 3.29Å; F417-T424 WeakPolarHBondContact O-CA 3.45Å; F417-T424 PolarHBondContact O-N 2.93Å; F417-G711 VanDerWaalsContact CZ-C 3.42Å; F417-V712 HydrophobicContact CE1-CG2 3.96Å; F417-V712 HydrophobicContact CZ-CG2 4.16Å; F417-F715 HydrophobicContact CD2-CD2 4.04Å; F417-F715 HydrophobicContact CE2-CB 4.34Å; F417-F715 HydrophobicContact CE2-CD2 4.22Å
418	S	93.5	Very high	96.6	Very high	16 Å²	16	34 Å²	34	11%	0.112	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-50	-35.7	-170.3	61.3	0	0	0	0	114	F415 D416 T424 V459	F415-S418 WeakPolarHBondContact O-CB 3.36Å; F415-S418 PolarHBondContact O-N 3.21Å; F415-S418 PolarHBondContact O-OG 2.77Å; D416-S418 VanDerWaalsContact C-N 3.27Å; D416-S418 PolarHBondContact O-N 3.4Å; S418-T424 VanDerWaalsContact O-CB 3.25Å; S418-T424 WeakPolarHBondContact O-CB 3.46Å; S418-T424 PolarHBondContact O-OG1 3.35Å; S418-V459 WeakPolarHBondContact OG-CG1 3.3Å
419	S	91.4	Very high	96.6	Very high	91 Å²	91	29.6 Å²	29.6	64%	0.636	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-118.5	1.7	-177.2	-58.3	0	0	0	0	114.1	F417 P421	F417-S419 PolarHBondContact O-N 2.79Å; S419-P421 WeakPolarHBondContact O-CD 3.38Å
420	L	95.5	Very high	96.7	Very high	49 Å²	49	27.5 Å²	27.5	26%	0.257	15%	0.154	S	C	.	.			trans	-77.1	122.5	178.1	-63.5	-179.5	0	0	0	110	D416 F417 A422 Y423 T424	D416-L420 WeakPolarHBondContact O-CG 3.36Å; F417-L420 HydrophobicContact CD1-CD1 4.17Å; F417-L420 PolarHBondContact O-N 2.84Å; F417-L420 VanDerWaalsContact O-N 3.12Å; L420-A422 PolarHBondContact O-N 2.85Å; L420-Y423 HydrophobicContact CB-CD2 3.92Å; L420-Y423 HydrophobicContact CD1-CD2 4.18Å; L420-Y423 PolarHBondContact O-N 3.38Å; L420-T424 WeakPolarHBondContact O-CB 3.36Å; L420-T424 WeakPolarHBondContact O-CG2 3.44Å; L420-T424 PolarHBondContact O-N 2.93Å
421	P	93.3	Very high	96.7	Very high	110 Å²	110	27.4 Å²	27.4	71%	0.714	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.8	-169.3	-29.2	35	0	0	0	115.6	R380 S419	R380-P421 PolarHBondContact NH2-O 3.43Å; S419-P421 WeakPolarHBondContact O-CD 3.38Å
422	A	94.1	Very high	96.7	Very high	23 Å²	23	27.3 Å²	27.3	19%	0.19	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-11.3	-178.7	0	0	0	0	0	114.4	L420 C703	L420-A422 PolarHBondContact O-N 2.85Å; A422-C703 HydrophobicContact CB-CB 3.33Å
423	Y	97.7	Very high	96.8	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.012	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-21.9	-173	-58.1	-88.8	0	0	0	113.5	F417 L420 C425 S661 S705 V712 F715	F417-Y423 HydrophobicContact CD1-CD1 4.32Å; F417-Y423 HydrophobicContact CD1-CG 4.1Å; F417-Y423 HydrophobicContact CE1-CD1 4.45Å; L420-Y423 HydrophobicContact CB-CD2 3.92Å; L420-Y423 HydrophobicContact CD1-CD2 4.18Å; L420-Y423 PolarHBondContact O-N 3.38Å; Y423-C425 PolarHBondContact O-N 3.39Å; Y423-S661 PolarHBondContact OH-OG 2.81Å; Y423-S705 WeakPolarHBondContact OH-CA 3.44Å; Y423-S705 WeakPolarHBondContact OH-CB 3.44Å; Y423-V712 HydrophobicContact CE1-CG1 4.21Å; Y423-F715 AromaticContact CD1-CD1 3.81Å; Y423-F715 HydrophobicContact CD1-CD1 3.81Å; Y423-F715 HydrophobicContact CD1-CD2 4.13Å; Y423-F715 AromaticContact CD1-CE1 3.87Å; Y423-F715 HydrophobicContact CD1-CE1 3.87Å; Y423-F715 HydrophobicContact CD1-CE2 4.17Å; Y423-F715 AromaticContact CD1-CG 3.95Å; Y423-F715 HydrophobicContact CD1-CG 3.95Å; Y423-F715 HydrophobicContact CD1-CZ 4.03Å; Y423-F715 HydrophobicContact CE1-CD1 4.22Å; Y423-F715 HydrophobicContact CE1-CE1 4.49Å; Y423-F715 WeakPolarHBondContact O-CE2 3.42Å; Y423-F715 WeakPolarHBondContact O-CZ 3.23Å
424	T	97.1	Very high	96.7	Very high	16 Å²	16	20.1 Å²	20.1	10%	0.098	13%	0.125	C	C	.	.			trans	-57.8	132	-178.2	-177.3	0	0	0	0	112	R380 F417 S418 L420 H426	R380-T424 VanDerWaalsContact CD-O 3.31Å; R380-T424 WeakPolarHBondContact CD-O 3.33Å; R380-T424 PolarHBondContact NH1-O 3.32Å; F417-T424 VanDerWaalsContact O-CA 3.29Å; F417-T424 WeakPolarHBondContact O-CA 3.45Å; F417-T424 PolarHBondContact O-N 2.93Å; S418-T424 VanDerWaalsContact O-CB 3.25Å; S418-T424 WeakPolarHBondContact O-CB 3.46Å; S418-T424 PolarHBondContact O-OG1 3.35Å; L420-T424 WeakPolarHBondContact O-CB 3.36Å; L420-T424 WeakPolarHBondContact O-CG2 3.44Å; L420-T424 PolarHBondContact O-N 2.93Å; T424-H426 PolarHBondContact OG1-N 3.33Å; T424-H426 VanDerWaalsContact OG1-N 3.08Å
425	C	96.7	Very high	96.6	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.007	13%	0.126	C	C	.	.			trans	-99.4	15.7	169.9	-65.7	0	0	0	0	112.2	Q376 T379 Q383 Y423 G427 R485	Q376-C425 PolarHBondContact O-SG 3.12Å; Q376-C425 PolarHBondContact OE1-SG 3.4Å; Q376-C425 VanDerWaalsContact OE1-SG 3.4Å; T379-C425 HydrophobicContact CG2-CB 3.77Å; Q383-C425 PolarHBondContact NE2-O 2.81Å; Y423-C425 PolarHBondContact O-N 3.39Å; C425-G427 PolarHBondContact O-N 2.7Å; C425-R485 PolarHBondContact O-NH2 3.4Å
426	H	96.8	Very high	96.5	Very high	32 Å²	32	20.8 Å²	20.8	15%	0.148	13%	0.128	C	C	.	.	S	Bend	trans	59.8	42.2	179.8	-57	-82.5	0	0	0	113.2	R380 D389 T424 R485 K489	R380-H426 PolarHBondContact NH1-NE2 3.44Å; D389-H426 PolarHBondContact O-CE1 3.47Å; D389-H426 VanDerWaalsContact O-CE1 3.28Å; D389-H426 PolarHBondContact O-NE2 2.89Å; D389-H426 VanDerWaalsContact O-NE2 3.13Å; T424-H426 PolarHBondContact OG1-N 3.33Å; T424-H426 VanDerWaalsContact OG1-N 3.08Å; H426-R485 PolarHBondContact O-NE 3.44Å; H426-K489 VanDerWaalsContact C-C 3.49Å; H426-K489 CarbonylContact C-O 3.32Å; H426-K489 VanDerWaalsContact C-O 3.23Å; H426-K489 HydrophobicContact CB-CB 3.97Å; H426-K489 HydrophobicContact CB-CD 4.18Å; H426-K489 HydrophobicContact CB-CG 4.39Å; H426-K489 CarbonylContact O-C 3.55Å; H426-K489 VanDerWaalsContact O-C 3.31Å; H426-K489 VanDerWaalsContact O-CA 3.27Å; H426-K489 WeakPolarHBondContact O-CA 3.45Å
427	G	96.6	Very high	96.4	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.01	11%	0.114	C	C	.	.			trans	92.6	130.7	177.4	0	0	0	0	0	114	C425 R485 K489 D491	C425-G427 PolarHBondContact O-N 2.7Å; G427-R485 WeakPolarHBondContact O-CG 3.23Å; G427-R485 PolarHBondContact O-NE 3.34Å; G427-K489 PolarHBondContact N-O 3.18Å; G427-D491 WeakPolarHBondContact CA-OD1 3.37Å
428	S	97.9	Very high	96.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.123	C	C	.	.			trans	-109.5	149.6	170.9	-57.1	0	0	0	0	112	Q376 S396 D491 A492	Q376-S428 PolarHBondContact NE2-OG 3.06Å; Q376-S428 PolarHBondContact OE1-OG 3.48Å; S396-S428 WeakPolarHBondContact OG-CB 3.39Å; S396-S428 PolarHBondContact OG-OG 3.47Å; S428-D491 PolarHBondContact N-OD1 3.04Å; S428-D491 VanDerWaalsContact O-CA 3.23Å; S428-D491 WeakPolarHBondContact O-CA 3.33Å; S428-A492 PolarHBondContact O-N 3.06Å
429	I	98.7	Very high	96.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	117.4	166.9	-55.2	-60.9	0	0	0	108.4	I285 M395 S396 I397 L398 I431 A481 R485 A492 I494	I285-I429 HydrophobicContact CD1-CG2 3.86Å; I285-I429 HydrophobicContact CG2-CG1 4.18Å; I285-I429 HydrophobicContact CG2-CG2 4.41Å; M395-I429 HydrophobicContact SD-CG1 3.84Å; S396-I429 PolarHBondContact O-N 3Å; S396-I429 VanDerWaalsContact O-N 3.12Å; I397-I429 CarbonylContact C-O 3.23Å; I397-I429 WeakPolarHBondContact CA-O 3.48Å; I397-I429 HydrophobicContact CG2-CB 4.49Å; L398-I429 PolarHBondContact N-O 2.65Å; I429-I431 HydrophobicContact CG2-CG1 4.34Å; I429-A481 HydrophobicContact CD1-CB 4.13Å; I429-A481 VanDerWaalsContact CD1-O 3.24Å; I429-A481 WeakPolarHBondContact CD1-O 3.48Å; I429-R485 HydrophobicContact CD1-CB 3.61Å; I429-R485 HydrophobicContact CD1-CG 4.12Å; I429-R485 HydrophobicContact CG1-CB 4.48Å; I429-A492 HydrophobicContact CD1-CB 4.13Å; I429-I494 HydrophobicContact CG2-CD1 4.18Å
430	H	98.9	Very high	96.6	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.019	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132.7	175.3	-62.9	-101.2	0	0	0	109.7	L398 H400 F415 D491 A492 V493 I494	L398-H430 CarbonylContact O-C 3.5Å; L398-H430 VanDerWaalsContact O-CA 3.29Å; L398-H430 WeakPolarHBondContact O-CA 3.47Å; H400-H430 AromaticContact CD2-ND1 3.97Å; H400-H430 AromaticContact CE1-ND1 3.84Å; H400-H430 AromaticContact NE2-CE1 3.98Å; H400-H430 AromaticContact NE2-CG 3.81Å; H400-H430 AromaticContact NE2-ND1 2.96Å; H400-H430 PolarHBondContact NE2-ND1 2.87Å; F415-H430 AromaticContact CE1-CD2 3.82Å; F415-H430 AromaticContact CE1-CE1 3.62Å; F415-H430 AromaticContact CE1-NE2 3.4Å; F415-H430 WeakPolarHBondContact CE1-NE2 3.38Å; F415-H430 AromaticContact CZ-CE1 3.6Å; F415-H430 AromaticContact CZ-ND1 3.78Å; F415-H430 AromaticContact CZ-NE2 3.79Å; H430-D491 IonicContact NE2-OD2 2.97Å; H430-D491 PolarHBondContact NE2-OD2 3.02Å; H430-A492 PolarHBondContact N-O 3.4Å; H430-V493 HydrophobicContact CB-CB 4.36Å; H430-V493 HydrophobicContact CB-CG1 4.17Å; H430-V493 HydrophobicContact CB-CG2 4.06Å; H430-I494 PolarHBondContact O-N 2.86Å
431	I	98.8	Very high	96.5	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	112	174.1	-51.5	177.1	0	0	0	108.2	L278 M282 I285 I397 L398 L399 H400 I429 I494 L496	L278-I431 HydrophobicContact CD1-CD1 4.43Å; L278-I431 HydrophobicContact CD1-CG2 3.86Å; M282-I431 HydrophobicContact CG-CD1 4.3Å; M282-I431 HydrophobicContact SD-CD1 3.37Å; M282-I431 WeakPolarHBondContact SD-CD1 3.44Å; I285-I431 HydrophobicContact CD1-CD1 3.5Å; I285-I431 HydrophobicContact CD1-CG1 4.19Å; I397-I431 HydrophobicContact CG2-CD1 4.22Å; L398-I431 PolarHBondContact O-N 3.5Å; L399-I431 CarbonylContact C-O 3.3Å; L399-I431 VanDerWaalsContact CA-O 3.28Å; L399-I431 WeakPolarHBondContact CA-O 3.47Å; L399-I431 HydrophobicContact CG-CB 4.3Å; H400-I431 PolarHBondContact N-O 3.11Å; I429-I431 HydrophobicContact CG2-CG1 4.34Å; I431-I494 CarbonylContact C-O 3.42Å; I431-I494 WeakPolarHBondContact CA-O 3.43Å; I431-I494 HydrophobicContact CG1-CD1 4.49Å; I431-L496 HydrophobicContact CG2-CD1 3.44Å; I431-L496 VanDerWaalsContact CG2-CD1 3.44Å; I431-L496 HydrophobicContact CG2-CG 3.85Å
432	V	98.8	Very high	96.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116.8	174.2	-172.6	0	0	0	0	108.3	H400 D402 F405 N434 T453 V493 I494 L496	H400-V432 HydrophobicContact CB-CG2 4.32Å; D402-V432 HydrophobicContact CB-CG1 4.25Å; F405-V432 HydrophobicContact CB-CG1 4.46Å; F405-V432 HydrophobicContact CB-CG2 4.47Å; F405-V432 HydrophobicContact CD1-CG2 3.86Å; F405-V432 HydrophobicContact CD2-CG2 4.16Å; F405-V432 HydrophobicContact CE1-CG2 4.06Å; F405-V432 HydrophobicContact CE2-CG2 4.32Å; F405-V432 HydrophobicContact CG-CG2 3.9Å; F405-V432 HydrophobicContact CZ-CG2 4.25Å; V432-N434 HydrophobicContact CG1-CB 4.3Å; V432-N434 PolarHBondContact O-N 2.85Å; V432-T453 HydrophobicContact CB-CG2 4.32Å; V432-T453 HydrophobicContact CG2-CG2 3.76Å; V432-V493 HydrophobicContact CG2-CG1 4.23Å; V432-I494 PolarHBondContact N-O 3.42Å; V432-L496 PolarHBondContact O-N 3.49Å
433	V	98.4	Very high	96.2	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.024	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	78.5	172.9	-177.1	0	0	0	0	107.9	C275 L278 R304 H400 N435	C275-V433 HydrophobicContact CB-CG1 4.13Å; L278-V433 HydrophobicContact CD1-CG2 4.29Å; L278-V433 HydrophobicContact CD2-CG2 3.93Å; R304-V433 HydrophobicContact CG-CG1 4.11Å; H400-V433 PolarHBondContact O-N 3.05Å; V433-N435 PolarHBondContact O-N 3.19Å; V433-N435 PolarHBondContact O-ND2 3.31Å
434	N	97.4	Very high	95.8	Very high	9 Å²	9	23.3 Å²	23.3	5%	0.048	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	83.6	-173.8	179.4	7.8	0	0	0	110.9	D402 V432 Q436 D495 L496 C498	D402-N434 HydrophobicContact CB-CB 4.07Å; V432-N434 HydrophobicContact CG1-CB 4.3Å; V432-N434 PolarHBondContact O-N 2.85Å; N434-Q436 PolarHBondContact O-N 2.88Å; N434-Q436 PolarHBondContact OD1-N 3.33Å; N434-D495 WeakPolarHBondContact CB-OD1 3.48Å; N434-D495 PolarHBondContact ND2-OD1 3.1Å; N434-D495 PolarHBondContact ND2-OD2 2.84Å; N434-L496 PolarHBondContact N-O 2.88Å; N434-C498 PolarHBondContact O-N 3.36Å; N434-C498 PolarHBondContact O-SG 2.92Å
435	N	96.1	Very high	95.5	Very high	11 Å²	11	30 Å²	30	6%	0.059	15%	0.145	C	C	.	.			trans	-86.5	12.8	178.3	59.6	99.6	0	0	0	112.6	R304 D402 V433 I437 C498 R500	R304-N435 PolarHBondContact NH1-ND2 3.41Å; R304-N435 PolarHBondContact NH1-OD1 3.12Å; D402-N435 PolarHBondContact OD1-N 3.25Å; D402-N435 PolarHBondContact OD1-ND2 2.88Å; V433-N435 PolarHBondContact O-N 3.19Å; V433-N435 PolarHBondContact O-ND2 3.31Å; N435-I437 PolarHBondContact O-N 3.44Å; N435-I437 VanDerWaalsContact OD1-CG2 3.23Å; N435-I437 WeakPolarHBondContact OD1-CG2 3.31Å; N435-I437 PolarHBondContact OD1-O 3.31Å; N435-I437 VanDerWaalsContact OD1-O 3.08Å; N435-C498 VanDerWaalsContact CA-SG 3.55Å; N435-R500 HydrophobicContact CB-CB 4.23Å
436	Q	95.2	Very high	95.2	Very high	9 Å²	9	31.4 Å²	31.4	4%	0.042	16%	0.155	C	C	.	.	S	Bend	trans	61.1	24.3	174.4	-49.9	175.2	65.3	0	0	113.5	D145 N150 N434 P443 V497 C498	D145-Q436 PolarHBondContact OD1-NE2 2.96Å; D145-Q436 PolarHBondContact OD1-OE1 3.43Å; D145-Q436 PolarHBondContact OD2-OE1 3.1Å; N150-Q436 PolarHBondContact ND2-OE1 2.96Å; N434-Q436 PolarHBondContact O-N 2.88Å; N434-Q436 PolarHBondContact OD1-N 3.33Å; Q436-P443 HydrophobicContact CB-CG 4.42Å; Q436-P443 WeakPolarHBondContact O-CD 3.4Å; Q436-V497 HydrophobicContact CG-CG1 4.49Å; Q436-C498 PolarHBondContact NE2-O 2.93Å
437	I	95	Very high	95	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	15%	0.154	C	C	.	.			trans	-160.3	130.2	178.8	-165.9	175.3	0	0	0	112.6	D402 N435 F439 Q514 M517 Y518	D402-I437 PolarHBondContact OD2-N 3.12Å; N435-I437 PolarHBondContact O-N 3.44Å; N435-I437 VanDerWaalsContact OD1-CG2 3.23Å; N435-I437 WeakPolarHBondContact OD1-CG2 3.31Å; N435-I437 PolarHBondContact OD1-O 3.31Å; N435-I437 VanDerWaalsContact OD1-O 3.08Å; I437-F439 WeakPolarHBondContact CD1-O 3.15Å; I437-F439 WeakPolarHBondContact CG1-O 3.36Å; I437-Q514 HydrophobicContact CD1-CB 4.43Å; I437-Q514 HydrophobicContact CD1-CG 3.62Å; I437-M517 HydrophobicContact CB-CE 4.08Å; I437-M517 HydrophobicContact CD1-CE 3.72Å; I437-M517 HydrophobicContact CG1-CE 4.46Å; I437-M517 HydrophobicContact CG2-CE 4.05Å; I437-Y518 HydrophobicContact CD1-CE2 4.49Å
438	G	94.5	Very high	94.7	Very high	18 Å²	18	36.9 Å²	36.9	19%	0.186	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-98.7	96.4	169.1	0	0	0	0	0	111	T440 T441	G438-T440 PolarHBondContact O-N 3.39Å; G438-T441 PolarHBondContact N-O 3.34Å; G438-T441 WeakPolarHBondContact O-CB 3.44Å; G438-T441 PolarHBondContact O-N 2.98Å
439	F	95.4	Very high	94.2	Very high	102 Å²	102	43.1 Å²	43.1	45%	0.447	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	-92.6	-169.5	-164.1	-25.6	0	0	0	111.3	I437 R500 H504	I437-F439 WeakPolarHBondContact CD1-O 3.15Å; I437-F439 WeakPolarHBondContact CG1-O 3.36Å; F439-R500 PolarHBondContact O-NH2 2.97Å; F439-H504 HydrophobicContact CB-CB 4.49Å; F439-H504 HydrophobicContact CD1-CB 3.46Å; F439-H504 VanDerWaalsContact CD1-CB 3.46Å; F439-H504 AromaticContact CD1-CG 3.8Å; F439-H504 AromaticContact CD2-CD2 3.64Å; F439-H504 HydrophobicContact CE1-CB 3.78Å; F439-H504 AromaticContact CE2-CD2 3.83Å; F439-H504 HydrophobicContact CG-CB 3.94Å; F439-H504 AromaticContact CG-CD2 3.77Å; F439-H504 AromaticContact CG-CG 3.73Å; F439-H504 HydrophobicContact CZ-CB 4.47Å
440	T	95.8	Very high	93.8	Very high	54 Å²	54	45.2 Å²	45.2	33%	0.331	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-11.2	176	62.4	0	0	0	0	113.5	G438 T513 Q514	G438-T440 PolarHBondContact O-N 3.39Å; T440-T513 HydrophobicContact CG2-CG2 4.13Å; T440-Q514 PolarHBondContact O-NE2 2.91Å
441	T	94.3	Very high	93.5	Very high	59 Å²	59	45.5 Å²	45.5	36%	0.362	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-86.1	125.2	-172.7	-52.5	0	0	0	0	110.7	G438 F445	G438-T441 PolarHBondContact N-O 3.34Å; G438-T441 WeakPolarHBondContact O-CB 3.44Å; G438-T441 PolarHBondContact O-N 2.98Å; T441-F445 HydrophobicContact CG2-CB 3.77Å
442	D	90	Very high	93.4	Very high	14 Å²	14	45.5 Å²	45.5	8%	0.075	23%	0.234	C	C	.	.			trans	-81.8	158.8	176.7	80.4	73	0	0	0	112.4	R444 F445 S446	D442-R444 VanDerWaalsContact CG-NH2 3.27Å; D442-R444 PolarHBondContact O-N 3.15Å; D442-R444 VanDerWaalsContact O-N 3.07Å; D442-R444 VanDerWaalsContact OD1-CB 3.24Å; D442-R444 WeakPolarHBondContact OD1-CB 3.45Å; D442-R444 WeakPolarHBondContact OD1-CG 3.35Å; D442-R444 IonicContact OD1-CZ 3.45Å; D442-R444 PolarHBondContact OD1-N 2.71Å; D442-R444 IonicContact OD1-NE 3.82Å; D442-R444 PolarHBondContact OD1-NE 2.53Å; D442-R444 IonicContact OD1-NH2 2.69Å; D442-R444 PolarHBondContact OD1-NH2 3.36Å; D442-R444 IonicContact OD2-CZ 3.44Å; D442-R444 IonicContact OD2-NE 2.7Å; D442-R444 IonicContact OD2-NH2 3.4Å; D442-R444 PolarHBondContact OD2-NH2 3.29Å; D442-F445 PolarHBondContact O-N 2.84Å; D442-F445 WeakPolarHBondContact OD2-CD2 3.4Å; D442-F445 WeakPolarHBondContact OD2-CE2 3.4Å; D442-S446 PolarHBondContact O-N 2.88Å
443	P	90.8	Very high	93.3	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-45	-37.9	-179	-39.7	42.5	0	0	0	116.5	Q436 F445 S446 R447	Q436-P443 HydrophobicContact CB-CG 4.42Å; Q436-P443 WeakPolarHBondContact O-CD 3.4Å; P443-F445 PolarHBondContact O-N 2.76Å; P443-F445 VanDerWaalsContact O-N 3.17Å; P443-S446 WeakPolarHBondContact CA-OG 3.46Å; P443-S446 PolarHBondContact O-N 3.14Å; P443-S446 PolarHBondContact O-OG 3.44Å; P443-R447 WeakPolarHBondContact O-CG 3.47Å; P443-R447 PolarHBondContact O-N 2.8Å
444	R	88.2	Confident	93.2	Very high	147 Å²	147	46.3 Å²	46.3	56%	0.555	24%	0.238	S	C	*	.	H	α-helix	trans	-68.5	-16.1	-176.5	-56.8	164.3	-63.6	-169.2	1.6	112.3	L154 D442	L154-R444 HydrophobicContact CD1-CG 4.25Å; D442-R444 VanDerWaalsContact CG-NH2 3.27Å; D442-R444 PolarHBondContact O-N 3.15Å; D442-R444 VanDerWaalsContact O-N 3.07Å; D442-R444 VanDerWaalsContact OD1-CB 3.24Å; D442-R444 WeakPolarHBondContact OD1-CB 3.45Å; D442-R444 WeakPolarHBondContact OD1-CG 3.35Å; D442-R444 IonicContact OD1-CZ 3.45Å; D442-R444 PolarHBondContact OD1-N 2.71Å; D442-R444 IonicContact OD1-NE 3.82Å; D442-R444 PolarHBondContact OD1-NE 2.53Å; D442-R444 IonicContact OD1-NH2 2.69Å; D442-R444 PolarHBondContact OD1-NH2 3.36Å; D442-R444 IonicContact OD2-CZ 3.44Å; D442-R444 IonicContact OD2-NE 2.7Å; D442-R444 IonicContact OD2-NH2 3.4Å; D442-R444 PolarHBondContact OD2-NH2 3.29Å
445	F	90.6	Very high	93.2	Very high	157 Å²	157	47.7 Å²	47.7	69%	0.689	25%	0.246	S	C	*	.	H	α-helix	trans	-113.8	-6.5	177.8	-58.1	-72.4	0	0	0	113.6	T441 D442 P443	T441-F445 HydrophobicContact CG2-CB 3.77Å; D442-F445 PolarHBondContact O-N 2.84Å; D442-F445 WeakPolarHBondContact OD2-CD2 3.4Å; D442-F445 WeakPolarHBondContact OD2-CE2 3.4Å; P443-F445 PolarHBondContact O-N 2.76Å; P443-F445 VanDerWaalsContact O-N 3.17Å
446	S	91.3	Very high	93.2	Very high	29 Å²	29	47.1 Å²	47.1	20%	0.203	24%	0.244	C	C	.	.	H	α-helix	trans	-96	-22.5	178.7	65	0	0	0	0	113.7	D442 P443	D442-S446 PolarHBondContact O-N 2.88Å; P443-S446 WeakPolarHBondContact CA-OG 3.46Å; P443-S446 PolarHBondContact O-N 3.14Å; P443-S446 PolarHBondContact O-OG 3.44Å
447	R	91.5	Very high	93.3	Very high	33 Å²	33	49.7 Å²	49.7	13%	0.125	25%	0.254	C	S	.	.			trans	-147.7	164.4	-176.9	60.5	179.3	-178.1	-92.4	7.5	113	P443 F449 P450	P443-R447 WeakPolarHBondContact O-CG 3.47Å; P443-R447 PolarHBondContact O-N 2.8Å; R447-F449 WeakPolarHBondContact CD-O 3.48Å; R447-F449 PolarHBondContact NE-O 2.84Å; R447-P450 PolarHBondContact NE-O 2.9Å; R447-P450 VanDerWaalsContact NE-O 3.14Å; R447-P450 PolarHBondContact NH2-O 3.2Å; R447-P450 VanDerWaalsContact NH2-O 3.08Å
448	S	90.8	Very high	93.3	Very high	116 Å²	116	53 Å²	53	81%	0.811	27%	0.274	S	S	*	.	S	Bend	trans	-110.1	12	-179	-57.6	0	0	0	0	114.1
449	F	88.5	Confident	93.3	Very high	130 Å²	130	53.3 Å²	53.3	57%	0.57	27%	0.273	S	S	*	.	S	Bend	trans	-132.3	159.6	-179.9	-44.2	-77.1	0	0	0	109.8	R447 Y451 D454	R447-F449 WeakPolarHBondContact CD-O 3.48Å; R447-F449 PolarHBondContact NE-O 2.84Å; F449-Y451 PolarHBondContact O-N 3.26Å; F449-D454 HydrophobicContact CB-CB 3.95Å; F449-D454 WeakPolarHBondContact CB-OD2 3.23Å; F449-D454 HydrophobicContact CD2-CB 4.38Å; F449-D454 HydrophobicContact CG-CB 4.26Å
450	P	88.7	Confident	93.3	Very high	44 Å²	44	51.5 Å²	51.5	29%	0.286	27%	0.268	S	S	.	.	S	Bend	trans	-52.7	-51.7	-178.6	-29.5	37.8	0	0	0	113	A152 R447	A152-P450 WeakPolarHBondContact O-CB 3.42Å; R447-P450 PolarHBondContact NE-O 2.9Å; R447-P450 VanDerWaalsContact NE-O 3.14Å; R447-P450 PolarHBondContact NH2-O 3.2Å; R447-P450 VanDerWaalsContact NH2-O 3.08Å
451	Y	94.3	Very high	93.3	Very high	11 Å²	11	49 Å²	49	4%	0.043	25%	0.253	C	S	.	.	S	Bend	trans	-104.6	145.9	-174.5	-56.3	-72.1	0	0	0	111.7	H139 L144 A152 E213 F449 T453 D454 H465	H139-Y451 AromaticContact CE1-CE2 3.85Å; H139-Y451 AromaticContact ND1-CE2 3.55Å; H139-Y451 AromaticContact ND1-CZ 3.56Å; H139-Y451 PolarHBondContact ND1-OH 2.98Å; H139-Y451 PolarHBondContact O-OH 3.16Å; H139-Y451 VanDerWaalsContact O-OH 3.06Å; L144-Y451 HydrophobicContact CD1-CE1 4.46Å; A152-Y451 HydrophobicContact CB-CE1 3.62Å; A152-Y451 WeakPolarHBondContact CB-OH 3.33Å; E213-Y451 WeakPolarHBondContact OE2-CD2 3.35Å; F449-Y451 PolarHBondContact O-N 3.26Å; Y451-T453 PolarHBondContact O-N 3.01Å; Y451-D454 PolarHBondContact N-OD2 3.14Å; Y451-D454 VanDerWaalsContact N-OD2 3.09Å; Y451-D454 PolarHBondContact O-N 2.87Å; Y451-H465 AromaticContact CD1-CE1 3.26Å; Y451-H465 WeakPolarHBondContact CD1-CE1 3.42Å; Y451-H465 AromaticContact CD1-ND1 3.55Å; Y451-H465 AromaticContact CD1-NE2 3.95Å; Y451-H465 AromaticContact CD2-CE1 3.81Å; Y451-H465 AromaticContact CD2-NE2 3.95Å; Y451-H465 AromaticContact CE1-CE1 3.68Å; Y451-H465 AromaticContact CE1-ND1 3.83Å; Y451-H465 AromaticContact CE1-NE2 3.98Å; Y451-H465 AromaticContact CE2-NE2 3.99Å; Y451-H465 AromaticContact CG-CE1 3.32Å; Y451-H465 AromaticContact CG-NE2 3.92Å; Y451-H465 AromaticContact CZ-NE2 3.98Å
452	C	95.6	Very high	93.5	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.007	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-63.6	-23.7	170.9	56.8	0	0	0	0	111.5	D402 F405	D402-C452 HydrophobicContact CB-CB 3.91Å; D402-C452 WeakPolarHBondContact O-CB 3.23Å; F405-C452 WeakPolarHBondContact CD1-O 3.48Å
453	T	97.6	Very high	93.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-83.5	-3.4	-176.1	46.7	0	0	0	0	115.6	F405 V432 Y451 V455 A456 I463 H465 V493 D495	F405-T453 HydrophobicContact CD1-CG2 4.46Å; F405-T453 HydrophobicContact CE1-CG2 4.18Å; V432-T453 HydrophobicContact CB-CG2 4.32Å; V432-T453 HydrophobicContact CG2-CG2 3.76Å; Y451-T453 PolarHBondContact O-N 3.01Å; T453-V455 PolarHBondContact O-N 3.35Å; T453-A456 VanDerWaalsContact O-CB 3.32Å; T453-A456 WeakPolarHBondContact O-CB 3.36Å; T453-A456 PolarHBondContact O-N 3.36Å; T453-I463 HydrophobicContact CG2-CG2 4.27Å; T453-I463 WeakPolarHBondContact OG1-CG2 3.47Å; T453-H465 PolarHBondContact OG1-CE1 3.02Å; T453-H465 VanDerWaalsContact OG1-CE1 3.31Å; T453-V493 HydrophobicContact CG2-CG1 3.49Å; T453-V493 VanDerWaalsContact CG2-CG1 3.49Å; T453-D495 HydrophobicContact CG2-CB 3.84Å
454	D	96.2	Very high	94.2	Very high	21 Å²	21	45.3 Å²	45.3	11%	0.112	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-59.3	-23.6	-175	-79.7	-37.8	0	0	0	113.8	F449 Y451 A456 K457	F449-D454 HydrophobicContact CB-CB 3.95Å; F449-D454 WeakPolarHBondContact CB-OD2 3.23Å; F449-D454 HydrophobicContact CD2-CB 4.38Å; F449-D454 HydrophobicContact CG-CB 4.26Å; Y451-D454 PolarHBondContact N-OD2 3.14Å; Y451-D454 VanDerWaalsContact N-OD2 3.09Å; Y451-D454 PolarHBondContact O-N 2.87Å; D454-A456 PolarHBondContact O-N 2.91Å; D454-K457 VanDerWaalsContact O-CB 3.31Å; D454-K457 WeakPolarHBondContact O-CB 3.09Å; D454-K457 PolarHBondContact O-N 3.16Å; D454-K457 VanDerWaalsContact O-N 3.09Å; D454-K457 WeakPolarHBondContact OD1-CE 3.44Å; D454-K457 IonicContact OD1-NZ 2.98Å; D454-K457 PolarHBondContact OD1-NZ 3.44Å
455	V	96.4	Very high	94.7	Very high	37 Å²	37	38.3 Å²	38.3	22%	0.224	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-57.1	-31.5	172.9	65.7	0	0	0	0	112.5	F405 V411 F415 T453 K457 V458	F405-V455 HydrophobicContact CD1-CG1 3.68Å; F405-V455 HydrophobicContact CE1-CG1 3.31Å; F405-V455 HydrophobicContact CG-CG1 4.48Å; F405-V455 HydrophobicContact CZ-CG1 3.9Å; V411-V455 HydrophobicContact CG1-CG1 3.99Å; V411-V455 HydrophobicContact CG1-CG2 4.46Å; F415-V455 HydrophobicContact CE2-CG1 4.19Å; T453-V455 PolarHBondContact O-N 3.35Å; V455-K457 PolarHBondContact O-N 2.98Å; V455-V458 WeakPolarHBondContact O-CG1 3.32Å; V455-V458 PolarHBondContact O-N 3.43Å
456	A	97.3	Very high	95	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-71.1	-14.3	-179.5	0	0	0	0	0	113.6	F415 T453 D454 V458 V459 A461 I463 V493	F415-A456 HydrophobicContact CE1-CB 4.22Å; F415-A456 HydrophobicContact CE2-CB 4.04Å; F415-A456 HydrophobicContact CZ-CB 3.71Å; T453-A456 VanDerWaalsContact O-CB 3.32Å; T453-A456 WeakPolarHBondContact O-CB 3.36Å; T453-A456 PolarHBondContact O-N 3.36Å; D454-A456 PolarHBondContact O-N 2.91Å; A456-V458 PolarHBondContact O-N 2.93Å; A456-V459 VanDerWaalsContact O-CG2 3.3Å; A456-V459 WeakPolarHBondContact O-CG2 3.29Å; A456-V459 PolarHBondContact O-N 3.05Å; A456-A461 HydrophobicContact CB-CB 4.35Å; A456-A461 PolarHBondContact O-N 3.1Å; A456-I463 HydrophobicContact CB-CD1 4.39Å; A456-I463 HydrophobicContact CB-CG1 4.47Å; A456-V493 HydrophobicContact CB-CG2 3.48Å; A456-V493 VanDerWaalsContact CB-CG2 3.48Å
457	K	96.1	Very high	95.4	Very high	62 Å²	62	30 Å²	30	27%	0.27	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-64.6	-20.3	175.2	-66.8	176.6	171.8	164.7	0	111.9	E213 D454 V455 V459 N460 I463	E213-K457 VanDerWaalsContact CD-NZ 3.33Å; E213-K457 WeakPolarHBondContact OE1-CE 3.16Å; E213-K457 IonicContact OE1-NZ 3.64Å; E213-K457 PolarHBondContact OE1-NZ 3.3Å; E213-K457 WeakPolarHBondContact OE2-CE 3.4Å; E213-K457 IonicContact OE2-NZ 3.35Å; E213-K457 PolarHBondContact OE2-NZ 3.46Å; D454-K457 VanDerWaalsContact O-CB 3.31Å; D454-K457 WeakPolarHBondContact O-CB 3.09Å; D454-K457 PolarHBondContact O-N 3.16Å; D454-K457 VanDerWaalsContact O-N 3.09Å; D454-K457 WeakPolarHBondContact OD1-CE 3.44Å; D454-K457 IonicContact OD1-NZ 2.98Å; D454-K457 PolarHBondContact OD1-NZ 3.44Å; V455-K457 PolarHBondContact O-N 2.98Å; K457-V459 PolarHBondContact O-N 3.13Å; K457-N460 PolarHBondContact O-N 2.78Å; K457-N460 VanDerWaalsContact O-N 3.07Å; K457-I463 HydrophobicContact CD-CD1 4.46Å; K457-I463 HydrophobicContact CG-CD1 3.81Å
458	V	95	Very high	95.6	Very high	73 Å²	73	28.5 Å²	28.5	44%	0.442	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-57.8	-32.6	176	72.9	0	0	0	0	113.1	Y412 F415 V455 A456	Y412-V458 HydrophobicContact CD2-CG1 4.28Å; Y412-V458 HydrophobicContact CD2-CG2 4.2Å; Y412-V458 HydrophobicContact CE2-CB 4.39Å; Y412-V458 HydrophobicContact CE2-CG1 4.47Å; Y412-V458 HydrophobicContact CE2-CG2 3.62Å; F415-V458 HydrophobicContact CB-CG1 4.05Å; V455-V458 WeakPolarHBondContact O-CG1 3.32Å; V455-V458 PolarHBondContact O-N 3.43Å; A456-V458 PolarHBondContact O-N 2.93Å
459	V	94.5	Very high	95.9	Very high	25 Å²	25	24 Å²	24	15%	0.152	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-103.6	6.6	178.5	-65.1	0	0	0	0	113.5	F415 S418 A456 K457 A461	F415-V459 HydrophobicContact CB-CG1 3.96Å; F415-V459 HydrophobicContact CD1-CG1 4.45Å; F415-V459 HydrophobicContact CD1-CG2 3.66Å; F415-V459 HydrophobicContact CE1-CG2 4.21Å; F415-V459 HydrophobicContact CG-CG2 4.33Å; F415-V459 VanDerWaalsContact O-CG1 3.23Å; F415-V459 WeakPolarHBondContact O-CG1 3.3Å; S418-V459 WeakPolarHBondContact OG-CG1 3.3Å; A456-V459 VanDerWaalsContact O-CG2 3.3Å; A456-V459 WeakPolarHBondContact O-CG2 3.29Å; A456-V459 PolarHBondContact O-N 3.05Å; K457-V459 PolarHBondContact O-N 3.13Å; V459-A461 VanDerWaalsContact C-N 3.27Å; V459-A461 HydrophobicContact CG2-CB 3.99Å; V459-A461 PolarHBondContact O-N 3.42Å
460	N	95.2	Very high	96.3	Very high	65 Å²	65	18.9 Å²	18.9	35%	0.348	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	41.7	-171.9	-53.6	-66.3	0	0	0	113.2	H216 I217 K457	H216-N460 PolarHBondContact O-OD1 2.64Å; I217-N460 HydrophobicContact CG1-CB 4.49Å; K457-N460 PolarHBondContact O-N 2.78Å; K457-N460 VanDerWaalsContact O-N 3.07Å
461	A	96.8	Very high	96.7	Very high	1 Å²	1	17 Å²	17	1%	0.008	9%	0.092	C	C	.	.			trans	-71.1	141.3	170.7	0	0	0	0	0	109.9	H216 A456 V459 D491 V493	H216-A461 PolarHBondContact NE2-O 3.23Å; A456-A461 HydrophobicContact CB-CB 4.35Å; A456-A461 PolarHBondContact O-N 3.1Å; V459-A461 VanDerWaalsContact C-N 3.27Å; V459-A461 HydrophobicContact CG2-CB 3.99Å; V459-A461 PolarHBondContact O-N 3.42Å; A461-D491 HydrophobicContact CB-CB 4.24Å; A461-V493 HydrophobicContact CB-CG2 4.25Å
462	P	97.9	Very high	96.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.095	C	C	.	.			trans	-66.9	141.5	166.2	30.3	-34.8	0	0	0	109.5	I217 L226 F464 W484 D491 A492 V493	I217-P462 HydrophobicContact CD1-CB 3.93Å; I217-P462 HydrophobicContact CD1-CG 4.47Å; L226-P462 HydrophobicContact CD1-CB 3.91Å; L226-P462 HydrophobicContact CD2-CB 4.35Å; P462-F464 HydrophobicContact CB-CE1 4.12Å; P462-F464 HydrophobicContact CB-CE2 4.29Å; P462-F464 HydrophobicContact CB-CZ 3.73Å; P462-F464 HydrophobicContact CG-CE2 4.23Å; P462-F464 HydrophobicContact CG-CZ 3.96Å; P462-W484 VanDerWaalsContact CD-CE2 3.43Å; P462-W484 HydrophobicContact CG-CD2 3.68Å; P462-W484 VanDerWaalsContact CG-CE2 3.43Å; P462-W484 HydrophobicContact CG-CE3 4.16Å; P462-W484 HydrophobicContact CG-CG 4.08Å; P462-W484 HydrophobicContact CG-CH2 4.21Å; P462-W484 HydrophobicContact CG-CZ2 3.75Å; P462-W484 HydrophobicContact CG-CZ3 4.41Å; P462-D491 WeakPolarHBondContact CD-O 3.26Å; P462-A492 HydrophobicContact CG-CB 4.24Å; P462-V493 PolarHBondContact O-N 3.5Å
463	I	98.3	Very high	97	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126	-179	-54.8	165.8	0	0	0	107.7	E213 T453 A456 K457 H465 V493	E213-I463 HydrophobicContact CB-CB 4.18Å; E213-I463 PolarHBondContact N-O 3.09Å; E213-I463 PolarHBondContact O-N 3.02Å; T453-I463 HydrophobicContact CG2-CG2 4.27Å; T453-I463 WeakPolarHBondContact OG1-CG2 3.47Å; A456-I463 HydrophobicContact CB-CD1 4.39Å; A456-I463 HydrophobicContact CB-CG1 4.47Å; K457-I463 HydrophobicContact CD-CD1 4.46Å; K457-I463 HydrophobicContact CG-CD1 3.81Å; I463-H465 WeakPolarHBondContact CG2-NE2 3.3Å; I463-V493 WeakPolarHBondContact CA-O 3.45Å; I463-V493 HydrophobicContact CG1-CB 4.28Å; I463-V493 HydrophobicContact CG2-CB 4.48Å
464	F	98.2	Very high	97	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	103.8	-179.5	-49.6	-63.2	0	0	0	109	V212 L226 F230 P462 V477 V480 A481 A492 V493 I494 D495	V212-F464 HydrophobicContact CG1-CD1 3.91Å; V212-F464 HydrophobicContact CG1-CE1 3.93Å; L226-F464 HydrophobicContact CD2-CE1 3.93Å; L226-F464 HydrophobicContact CD2-CZ 3.81Å; F230-F464 AromaticContact CE2-CD1 3.92Å; F230-F464 HydrophobicContact CE2-CD1 3.92Å; F230-F464 AromaticContact CE2-CE1 3.47Å; F230-F464 HydrophobicContact CE2-CE1 3.47Å; F230-F464 VanDerWaalsContact CE2-CE1 3.47Å; F230-F464 HydrophobicContact CE2-CZ 4.31Å; F230-F464 AromaticContact CZ-CD1 3.6Å; F230-F464 HydrophobicContact CZ-CD1 3.6Å; F230-F464 AromaticContact CZ-CE1 3.62Å; F230-F464 HydrophobicContact CZ-CE1 3.62Å; F230-F464 HydrophobicContact CZ-CG 4.49Å; F230-F464 HydrophobicContact CZ-CZ 4.5Å; P462-F464 HydrophobicContact CB-CE1 4.12Å; P462-F464 HydrophobicContact CB-CE2 4.29Å; P462-F464 HydrophobicContact CB-CZ 3.73Å; P462-F464 HydrophobicContact CG-CE2 4.23Å; P462-F464 HydrophobicContact CG-CZ 3.96Å; F464-V477 HydrophobicContact CB-CB 4.45Å; F464-V477 HydrophobicContact CB-CG1 3.34Å; F464-V477 HydrophobicContact CB-CG2 4.28Å; F464-V477 HydrophobicContact CD2-CG1 4Å; F464-V477 HydrophobicContact CG-CG1 3.83Å; F464-V480 HydrophobicContact CZ-CG1 4.17Å; F464-A481 HydrophobicContact CD2-CB 4.32Å; F464-A481 HydrophobicContact CE2-CB 4.07Å; F464-A492 HydrophobicContact CE2-CB 4.21Å; F464-V493 WeakPolarHBondContact CD2-O 3.25Å; F464-V493 PolarHBondContact N-O 2.76Å; F464-I494 HydrophobicContact CD2-CG1 4.37Å; F464-I494 CarbonylContact O-C 3.58Å; F464-I494 WeakPolarHBondContact O-CA 3.33Å; F464-D495 PolarHBondContact O-N 2.68Å
465	H	98	Very high	97.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.2	169.9	-46.5	-87.4	0	0	0	108.7	L144 I210 G211 E213 Y451 T453 I463 D495	L144-H465 HydrophobicContact CD1-CB 3.55Å; L144-H465 HydrophobicContact CD2-CB 3.76Å; L144-H465 WeakPolarHBondContact CD2-O 3.5Å; L144-H465 HydrophobicContact CG-CB 4.26Å; I210-H465 CarbonylContact C-O 3.58Å; I210-H465 WeakPolarHBondContact CA-O 3.13Å; G211-H465 PolarHBondContact N-O 3.26Å; G211-H465 PolarHBondContact O-CD2 3.23Å; G211-H465 PolarHBondContact O-N 2.98Å; E213-H465 IonicContact OE2-CE1 2.64Å; E213-H465 IonicContact OE2-NE2 3.33Å; E213-H465 PolarHBondContact OE2-NE2 3.44Å; E213-H465 VanDerWaalsContact OE2-NE2 3.12Å; Y451-H465 AromaticContact CD1-CE1 3.26Å; Y451-H465 WeakPolarHBondContact CD1-CE1 3.42Å; Y451-H465 AromaticContact CD1-ND1 3.55Å; Y451-H465 AromaticContact CD1-NE2 3.95Å; Y451-H465 AromaticContact CD2-CE1 3.81Å; Y451-H465 AromaticContact CD2-NE2 3.95Å; Y451-H465 AromaticContact CE1-CE1 3.68Å; Y451-H465 AromaticContact CE1-ND1 3.83Å; Y451-H465 AromaticContact CE1-NE2 3.98Å; Y451-H465 AromaticContact CE2-NE2 3.99Å; Y451-H465 AromaticContact CG-CE1 3.32Å; Y451-H465 AromaticContact CG-NE2 3.92Å; Y451-H465 AromaticContact CZ-NE2 3.98Å; T453-H465 PolarHBondContact OG1-CE1 3.02Å; T453-H465 VanDerWaalsContact OG1-CE1 3.31Å; I463-H465 WeakPolarHBondContact CG2-NE2 3.3Å; H465-D495 HydrophobicContact CB-CB 4.39Å; H465-D495 IonicContact CE1-OD2 3.34Å; H465-D495 IonicContact CG-OD2 3.05Å; H465-D495 IonicContact ND1-OD2 3.24Å; H465-D495 PolarHBondContact ND1-OD2 3.01Å
466	V	98	Very high	97.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	136.8	-178.4	61.9	0	0	0	0	111	H209 I210 A468 A473 V474 V477 I494 D495 L496 V497	H209-V466 WeakPolarHBondContact O-CA 3.46Å; I210-V466 HydrophobicContact CG1-CG2 4.19Å; V466-A468 PolarHBondContact O-N 3.48Å; V466-A473 HydrophobicContact CG2-CB 3.86Å; V466-V474 HydrophobicContact CB-CG2 4.45Å; V466-V474 HydrophobicContact CG1-CG2 3.94Å; V466-V474 HydrophobicContact CG2-CB 4.4Å; V466-V474 HydrophobicContact CG2-CG2 3.63Å; V466-V477 HydrophobicContact CB-CG2 4.28Å; V466-V477 HydrophobicContact CG2-CG2 4.4Å; V466-I494 HydrophobicContact CG1-CG2 4.12Å; V466-D495 PolarHBondContact N-O 2.64Å; V466-L496 HydrophobicContact CG1-CD2 3.58Å; V466-V497 PolarHBondContact O-N 2.74Å
467	N	97.7	Very high	97.2	Very high	10 Å²	10	16.3 Å²	16.3	5%	0.053	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	116.8	176	-168.6	-38.2	0	0	0	109.7	E143 L144 H209 D469 D470	E143-N467 PolarHBondContact O-ND2 3.24Å; L144-N467 WeakPolarHBondContact O-CA 3.43Å; L144-N467 WeakPolarHBondContact O-CB 3.34Å; L144-N467 VanDerWaalsContact O-CG 3.26Å; L144-N467 PolarHBondContact O-ND2 3.15Å; H209-N467 HydrophobicContact CB-CB 3.93Å; H209-N467 PolarHBondContact O-N 3.39Å; N467-D469 PolarHBondContact O-N 2.8Å; N467-D469 VanDerWaalsContact O-N 3.15Å; N467-D469 WeakPolarHBondContact OD1-CB 3.33Å; N467-D469 PolarHBondContact OD1-N 3.04Å; N467-D470 PolarHBondContact O-N 3.21Å
468	A	97.6	Very high	97.3	Very high	2 Å²	2	13.3 Å²	13.3	2%	0.017	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.1	-176.4	0	0	0	0	0	113.9	V277 V466 D470 V497 C498	V277-A468 HydrophobicContact CG1-CB 3.78Å; V277-A468 WeakPolarHBondContact CG1-O 3.43Å; V466-A468 PolarHBondContact O-N 3.48Å; A468-D470 VanDerWaalsContact C-N 3.34Å; A468-V497 WeakPolarHBondContact CB-O 3.16Å; A468-V497 PolarHBondContact N-O 3.14Å; A468-C498 HydrophobicContact CB-CB 3.49Å; A468-C498 VanDerWaalsContact CB-CB 3.49Å
469	D	96.6	Very high	97.5	Very high	22 Å²	22	10.6 Å²	10.6	12%	0.118	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.9	174.2	-84.7	-8.8	0	0	0	113.7	P146 N467 P471 K530	P146-D469 HydrophobicContact CB-CB 4.07Å; P146-D469 WeakPolarHBondContact CB-OD2 3.48Å; N467-D469 PolarHBondContact O-N 2.8Å; N467-D469 VanDerWaalsContact O-N 3.15Å; N467-D469 WeakPolarHBondContact OD1-CB 3.33Å; N467-D469 PolarHBondContact OD1-N 3.04Å; D469-P471 WeakPolarHBondContact O-CD 3.19Å; D469-K530 IonicContact OD2-NZ 2.65Å; D469-K530 PolarHBondContact OD2-NZ 3.09Å
470	D	97	Very high	97.6	Very high	23 Å²	23	9.5 Å²	9.5	12%	0.123	5%	0.052	C	C	.	.			trans	-104.1	89.7	166.8	-169.5	-17.6	0	0	0	110.9	H209 N467 A468 E472 A473 V474	H209-D470 HydrophobicContact CB-CB 3.95Å; H209-D470 IonicContact CE1-OD2 3.64Å; H209-D470 IonicContact CG-OD2 3.68Å; H209-D470 VanDerWaalsContact ND1-CB 3.33Å; H209-D470 WeakPolarHBondContact ND1-CB 3.4Å; H209-D470 IonicContact ND1-OD2 3.87Å; H209-D470 PolarHBondContact ND1-OD2 2.91Å; N467-D470 PolarHBondContact O-N 3.21Å; A468-D470 VanDerWaalsContact C-N 3.34Å; D470-E472 PolarHBondContact O-N 3.33Å; D470-E472 PolarHBondContact OD1-N 2.97Å; D470-E472 VanDerWaalsContact OD1-N 3.16Å; D470-A473 HydrophobicContact CB-CB 3.94Å; D470-A473 PolarHBondContact O-N 2.69Å; D470-A473 PolarHBondContact OD1-N 3.49Å; D470-V474 WeakPolarHBondContact O-CG2 3.27Å; D470-V474 PolarHBondContact O-N 3.07Å
471	P	97.6	Very high	97.8	Very high	4 Å²	4	6.4 Å²	6.4	3%	0.026	4%	0.035	C	C	.	.	H	α-helix	trans	-68.3	-22.8	-174	30.7	-38.1	0	0	0	113.2	L246 L250 V277 D469 M475 V527 Y531	L246-P471 HydrophobicContact CD1-CB 4.13Å; L246-P471 HydrophobicContact CD2-CB 3.98Å; L246-P471 HydrophobicContact CD2-CG 4.36Å; L246-P471 HydrophobicContact CG-CB 4.31Å; L250-P471 HydrophobicContact CD1-CB 4Å; L250-P471 HydrophobicContact CD1-CG 4.09Å; V277-P471 HydrophobicContact CG2-CB 3.83Å; D469-P471 WeakPolarHBondContact O-CD 3.19Å; P471-M475 WeakPolarHBondContact O-CG 3.32Å; P471-M475 PolarHBondContact O-N 2.87Å; P471-V527 HydrophobicContact CG-CG2 4.47Å; P471-Y531 HydrophobicContact CG-CD1 4.43Å; P471-Y531 HydrophobicContact CG-CD2 3.4Å; P471-Y531 VanDerWaalsContact CG-CD2 3.4Å; P471-Y531 HydrophobicContact CG-CE2 3.77Å; P471-Y531 HydrophobicContact CG-CG 3.8Å
472	E	97.2	Very high	97.9	Very high	21 Å²	21	6.4 Å²	6.4	10%	0.098	4%	0.035	C	C	.	.	H	α-helix	trans	-74.6	-43.2	177.6	-59.9	-173.6	175.4	0	0	110.9	L238 Q243 L246 D470 V474 M475 H476 Y531 R534	L238-E472 HydrophobicContact CD1-CB 4.06Å; L238-E472 HydrophobicContact CD1-CG 3.83Å; Q243-E472 PolarHBondContact NE2-OE1 3.24Å; L246-E472 HydrophobicContact CD2-CG 4.17Å; D470-E472 PolarHBondContact O-N 3.33Å; D470-E472 PolarHBondContact OD1-N 2.97Å; D470-E472 VanDerWaalsContact OD1-N 3.16Å; E472-V474 VanDerWaalsContact C-N 3.29Å; E472-V474 PolarHBondContact O-N 3.24Å; E472-M475 PolarHBondContact O-N 3.39Å; E472-M475 VanDerWaalsContact O-N 3.11Å; E472-H476 PolarHBondContact O-N 3.43Å; E472-H476 VanDerWaalsContact O-N 3.11Å; E472-Y531 HydrophobicContact CG-CE2 3.89Å; E472-Y531 PolarHBondContact OE1-OH 3.19Å; E472-R534 VanDerWaalsContact CD-NH2 3.28Å; E472-R534 IonicContact OE1-CZ 2.71Å; E472-R534 IonicContact OE1-NE 2.77Å; E472-R534 IonicContact OE1-NH2 2.81Å; E472-R534 PolarHBondContact OE1-NH2 3.13Å; E472-R534 IonicContact OE2-CZ 2.7Å; E472-R534 IonicContact OE2-NH1 3.08Å; E472-R534 IonicContact OE2-NH2 3.52Å; E472-R534 PolarHBondContact OE2-NH2 3.45Å
473	A	97.3	Very high	97.9	Very high	4 Å²	4	7.9 Å²	7.9	3%	0.033	4%	0.042	C	C	.	.	H	α-helix	trans	-57.5	-43	173.2	0	0	0	0	0	111.6	H209 I210 V466 D470 M475 H476 V477	H209-A473 HydrophobicContact CB-CB 4.35Å; I210-A473 HydrophobicContact CD1-CB 3.92Å; I210-A473 HydrophobicContact CG1-CB 3.82Å; V466-A473 HydrophobicContact CG2-CB 3.86Å; D470-A473 HydrophobicContact CB-CB 3.94Å; D470-A473 PolarHBondContact O-N 2.69Å; D470-A473 PolarHBondContact OD1-N 3.49Å; A473-M475 VanDerWaalsContact C-N 3.35Å; A473-M475 PolarHBondContact O-N 3.39Å; A473-H476 PolarHBondContact O-N 2.93Å; A473-V477 PolarHBondContact O-N 2.83Å
474	V	98.3	Very high	97.9	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.2	-41.7	175.7	179	0	0	0	0	111.4	V277 A281 V466 D470 E472 H476 V477 C478 L496	V277-V474 HydrophobicContact CG1-CG1 4.44Å; V277-V474 HydrophobicContact CG1-CG2 4.21Å; V277-V474 HydrophobicContact CG2-CB 3.9Å; V277-V474 HydrophobicContact CG2-CG1 3.92Å; V277-V474 HydrophobicContact CG2-CG2 3.97Å; A281-V474 HydrophobicContact CB-CG1 3.74Å; V466-V474 HydrophobicContact CB-CG2 4.45Å; V466-V474 HydrophobicContact CG1-CG2 3.94Å; V466-V474 HydrophobicContact CG2-CB 4.4Å; V466-V474 HydrophobicContact CG2-CG2 3.63Å; D470-V474 WeakPolarHBondContact O-CG2 3.27Å; D470-V474 PolarHBondContact O-N 3.07Å; E472-V474 VanDerWaalsContact C-N 3.29Å; E472-V474 PolarHBondContact O-N 3.24Å; V474-H476 VanDerWaalsContact C-N 3.31Å; V474-H476 PolarHBondContact O-N 3.05Å; V474-V477 PolarHBondContact O-N 3.27Å; V474-C478 VanDerWaalsContact O-CB 3.31Å; V474-C478 WeakPolarHBondContact O-CB 3.26Å; V474-C478 PolarHBondContact O-N 3.43Å; V474-C478 PolarHBondContact O-SG 2.82Å; V474-L496 HydrophobicContact CG1-CD2 3.73Å; V474-L496 HydrophobicContact CG2-CD2 4.11Å
475	M	98.1	Very high	97.9	Very high	8 Å²	8	7.9 Å²	7.9	4%	0.039	4%	0.042	C	C	.	.	H	α-helix	trans	-63.7	-38.1	178.4	-67	-47.9	86	0	0	112.2	L246 V277 P280 A281 Q284 P471 E472 A473 S479	L246-M475 HydrophobicContact CD1-CE 4.23Å; L246-M475 HydrophobicContact CD1-CG 3.98Å; L246-M475 HydrophobicContact CD1-SD 3.88Å; L246-M475 HydrophobicContact CD2-CG 3.9Å; L246-M475 HydrophobicContact CG-CG 4.48Å; V277-M475 HydrophobicContact CG2-CE 4.41Å; P280-M475 HydrophobicContact CB-CE 3.64Å; P280-M475 HydrophobicContact CB-SD 3.96Å; A281-M475 HydrophobicContact CB-CE 4.36Å; Q284-M475 HydrophobicContact CB-CE 4.47Å; Q284-M475 HydrophobicContact CB-SD 3.66Å; Q284-M475 HydrophobicContact CG-CB 4.28Å; Q284-M475 HydrophobicContact CG-SD 3.96Å; P471-M475 WeakPolarHBondContact O-CG 3.32Å; P471-M475 PolarHBondContact O-N 2.87Å; E472-M475 PolarHBondContact O-N 3.39Å; E472-M475 VanDerWaalsContact O-N 3.11Å; A473-M475 VanDerWaalsContact C-N 3.35Å; A473-M475 PolarHBondContact O-N 3.39Å; M475-S479 PolarHBondContact O-N 3.39Å; M475-S479 VanDerWaalsContact O-N 3.08Å; M475-S479 PolarHBondContact O-OG 3.22Å
476	H	97.8	Very high	97.8	Very high	22 Å²	22	9.1 Å²	9.1	10%	0.102	5%	0.048	C	C	.	.	H	α-helix	trans	-62.5	-54.3	175.8	-175.3	57.1	0	0	0	110.9	H229 F230 M236 E472 A473 V474 C478 S479 V480	H229-H476 PolarHBondContact O-CE1 3.23Å; H229-H476 PolarHBondContact O-NE2 3.22Å; F230-H476 AromaticContact CE1-CD2 3.93Å; M236-H476 HydrophobicContact CG-CB 4.14Å; E472-H476 PolarHBondContact O-N 3.43Å; E472-H476 VanDerWaalsContact O-N 3.11Å; A473-H476 PolarHBondContact O-N 2.93Å; V474-H476 VanDerWaalsContact C-N 3.31Å; V474-H476 PolarHBondContact O-N 3.05Å; H476-C478 VanDerWaalsContact C-N 3.32Å; H476-C478 PolarHBondContact O-N 3.4Å; H476-S479 WeakPolarHBondContact O-CB 3.26Å; H476-S479 PolarHBondContact O-N 2.86Å; H476-V480 WeakPolarHBondContact O-CG2 3.4Å; H476-V480 PolarHBondContact O-N 2.84Å
477	V	98.3	Very high	97.8	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-55.9	-45.4	178.5	167	0	0	0	0	111.8	I210 F230 F464 V466 A473 V474 S479 V480 A481 I494	I210-V477 HydrophobicContact CD1-CG2 4.01Å; I210-V477 HydrophobicContact CG1-CG2 4.26Å; I210-V477 HydrophobicContact CG2-CG2 4.06Å; F230-V477 HydrophobicContact CE1-CG2 4.28Å; F464-V477 HydrophobicContact CB-CB 4.45Å; F464-V477 HydrophobicContact CB-CG1 3.34Å; F464-V477 HydrophobicContact CB-CG2 4.28Å; F464-V477 HydrophobicContact CD2-CG1 4Å; F464-V477 HydrophobicContact CG-CG1 3.83Å; V466-V477 HydrophobicContact CB-CG2 4.28Å; V466-V477 HydrophobicContact CG2-CG2 4.4Å; A473-V477 PolarHBondContact O-N 2.83Å; V474-V477 PolarHBondContact O-N 3.27Å; V477-S479 VanDerWaalsContact C-N 3.29Å; V477-S479 PolarHBondContact O-N 2.98Å; V477-V480 PolarHBondContact O-N 2.68Å; V477-A481 WeakPolarHBondContact O-CB 3.24Å; V477-A481 PolarHBondContact O-N 3.49Å; V477-I494 HydrophobicContact CG1-CB 4.45Å; V477-I494 HydrophobicContact CG1-CD1 4.29Å; V477-I494 HydrophobicContact CG1-CG1 3.97Å; V477-I494 HydrophobicContact CG1-CG2 3.84Å
478	C	98.5	Very high	97.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.1	-37.7	176.6	-77.1	0	0	0	0	113.2	A281 Q284 I285 V474 H476 A482	A281-C478 VanDerWaalsContact CB-SG 3.53Å; Q284-C478 HydrophobicContact CB-CB 4.01Å; Q284-C478 HydrophobicContact CG-CB 3.94Å; I285-C478 HydrophobicContact CD1-CB 4.41Å; I285-C478 HydrophobicContact CG1-CB 3.77Å; V474-C478 VanDerWaalsContact O-CB 3.31Å; V474-C478 WeakPolarHBondContact O-CB 3.26Å; V474-C478 PolarHBondContact O-N 3.43Å; V474-C478 PolarHBondContact O-SG 2.82Å; H476-C478 VanDerWaalsContact C-N 3.32Å; H476-C478 PolarHBondContact O-N 3.4Å; C478-A482 PolarHBondContact O-N 3.15Å
479	S	98.1	Very high	97.7	Very high	16 Å²	16	18.5 Å²	18.5	11%	0.112	9%	0.088	C	C	.	.	H	α-helix	trans	-69.3	-46	177.8	-55.9	0	0	0	0	110.9	Q284 M475 H476 V477 A481 A482 E483	Q284-S479 PolarHBondContact NE2-OG 3.47Å; M475-S479 PolarHBondContact O-N 3.39Å; M475-S479 VanDerWaalsContact O-N 3.08Å; M475-S479 PolarHBondContact O-OG 3.22Å; H476-S479 WeakPolarHBondContact O-CB 3.26Å; H476-S479 PolarHBondContact O-N 2.86Å; V477-S479 VanDerWaalsContact C-N 3.29Å; V477-S479 PolarHBondContact O-N 2.98Å; S479-A481 PolarHBondContact O-N 2.76Å; S479-A482 PolarHBondContact O-N 3.33Å; S479-E483 WeakPolarHBondContact O-CG 3.48Å; S479-E483 PolarHBondContact O-N 3.15Å
480	V	98.4	Very high	97.7	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.012	10%	0.095	C	C	.	.	H	α-helix	trans	-62	-42	177.1	176.9	0	0	0	0	111.2	W225 L226 H229 F230 F464 H476 V477 A482 E483 W484	W225-V480 HydrophobicContact CH2-CG1 3.94Å; W225-V480 HydrophobicContact CZ3-CG1 3.84Å; L226-V480 HydrophobicContact CD2-CG1 4.47Å; H229-V480 HydrophobicContact CB-CG1 4.23Å; H229-V480 HydrophobicContact CB-CG2 4.12Å; F230-V480 HydrophobicContact CE2-CB 4.47Å; F230-V480 HydrophobicContact CE2-CG1 3.75Å; F230-V480 HydrophobicContact CZ-CB 4.32Å; F230-V480 HydrophobicContact CZ-CG1 4.06Å; F230-V480 HydrophobicContact CZ-CG2 4.35Å; F464-V480 HydrophobicContact CZ-CG1 4.17Å; H476-V480 WeakPolarHBondContact O-CG2 3.4Å; H476-V480 PolarHBondContact O-N 2.84Å; V477-V480 PolarHBondContact O-N 2.68Å; V480-A482 PolarHBondContact O-N 3.41Å; V480-E483 PolarHBondContact O-N 3.12Å; V480-W484 VanDerWaalsContact O-CB 3.3Å; V480-W484 WeakPolarHBondContact O-CB 3.37Å; V480-W484 PolarHBondContact O-N 2.83Å
481	A	98.6	Very high	97.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.3	-44.4	177.6	0	0	0	0	0	112.1	I429 F464 V477 S479 E483 W484 R485 A492 I494	I429-A481 HydrophobicContact CD1-CB 4.13Å; I429-A481 VanDerWaalsContact CD1-O 3.24Å; I429-A481 WeakPolarHBondContact CD1-O 3.48Å; F464-A481 HydrophobicContact CD2-CB 4.32Å; F464-A481 HydrophobicContact CE2-CB 4.07Å; V477-A481 WeakPolarHBondContact O-CB 3.24Å; V477-A481 PolarHBondContact O-N 3.49Å; S479-A481 PolarHBondContact O-N 2.76Å; A481-E483 PolarHBondContact O-N 2.99Å; A481-W484 PolarHBondContact O-N 3.19Å; A481-R485 PolarHBondContact O-N 2.94Å; A481-A492 HydrophobicContact CB-CB 4.11Å; A481-I494 HydrophobicContact CB-CD1 3.78Å; A481-I494 HydrophobicContact CB-CG1 4.04Å
482	A	98.4	Very high	97.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.9	-41.4	176.4	0	0	0	0	0	112.2	I285 R288 A289 C478 S479 V480 Q486	I285-A482 HydrophobicContact CG2-CB 4.45Å; R288-A482 HydrophobicContact CB-CB 4Å; R288-A482 HydrophobicContact CG-CB 4.08Å; A289-A482 HydrophobicContact CB-CB 4.44Å; C478-A482 PolarHBondContact O-N 3.15Å; S479-A482 PolarHBondContact O-N 3.33Å; V480-A482 PolarHBondContact O-N 3.41Å; A482-Q486 WeakPolarHBondContact O-CB 3.32Å; A482-Q486 PolarHBondContact O-N 2.9Å; A482-Q486 VanDerWaalsContact O-N 3.08Å
483	E	98.3	Very high	97.9	Very high	32 Å²	32	18.5 Å²	18.5	15%	0.15	9%	0.085	C	C	.	.	H	α-helix	trans	-66.6	-43.3	175.9	-72.7	169.8	-149.1	0	0	112.6	W225 H229 R288 L292 S479 V480 A481 Q486 K487	W225-E483 HydrophobicContact CH2-CB 3.83Å; W225-E483 HydrophobicContact CZ2-CB 3.83Å; H229-E483 IonicContact CD2-OE2 3.96Å; H229-E483 PolarHBondContact CD2-OE2 3.07Å; H229-E483 IonicContact NE2-OE2 3.62Å; H229-E483 PolarHBondContact NE2-OE2 2.82Å; R288-E483 HydrophobicContact CG-CG 4.23Å; R288-E483 IonicContact CZ-OE1 2.75Å; R288-E483 IonicContact NE-OE1 3.86Å; R288-E483 PolarHBondContact NE-OE1 3.24Å; R288-E483 IonicContact NH2-OE1 2.77Å; R288-E483 PolarHBondContact NH2-OE1 3.4Å; R288-E483 IonicContact NH2-OE2 3.64Å; L292-E483 HydrophobicContact CD1-CB 4.44Å; L292-E483 HydrophobicContact CD1-CG 3.85Å; S479-E483 WeakPolarHBondContact O-CG 3.48Å; S479-E483 PolarHBondContact O-N 3.15Å; V480-E483 PolarHBondContact O-N 3.12Å; A481-E483 PolarHBondContact O-N 2.99Å; E483-Q486 PolarHBondContact O-N 3.07Å; E483-K487 VanDerWaalsContact O-CB 3.27Å; E483-K487 WeakPolarHBondContact O-CB 3.34Å; E483-K487 PolarHBondContact O-N 2.88Å
484	W	98.2	Very high	98	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-55.7	-53.1	175.7	166.3	-88.4	0	0	0	110.7	I217 Q222 W225 L226 P462 V480 A481 Q486 K487 F488 K490 D491 A492	I217-W484 HydrophobicContact CD1-CH2 3.85Å; I217-W484 HydrophobicContact CD1-CZ2 4.38Å; Q222-W484 HydrophobicContact CB-CH2 3.7Å; Q222-W484 HydrophobicContact CB-CZ3 3.85Å; Q222-W484 HydrophobicContact CG-CH2 3.75Å; Q222-W484 HydrophobicContact CG-CZ3 4.05Å; W225-W484 AromaticContact CE3-CE3 3.86Å; W225-W484 HydrophobicContact CE3-CE3 3.86Å; W225-W484 HydrophobicContact CE3-CZ3 4.48Å; W225-W484 HydrophobicContact CH2-CB 4.08Å; W225-W484 HydrophobicContact CZ3-CB 3.89Å; W225-W484 AromaticContact CZ3-CE3 3.93Å; W225-W484 HydrophobicContact CZ3-CE3 3.93Å; L226-W484 HydrophobicContact CD1-CE3 4.19Å; L226-W484 HydrophobicContact CD1-CH2 4.26Å; L226-W484 HydrophobicContact CD1-CZ3 3.65Å; L226-W484 HydrophobicContact CD2-CE3 3.87Å; L226-W484 HydrophobicContact CD2-CZ3 4.17Å; L226-W484 HydrophobicContact CG-CE3 3.99Å; L226-W484 HydrophobicContact CG-CZ3 3.79Å; P462-W484 VanDerWaalsContact CD-CE2 3.43Å; P462-W484 HydrophobicContact CG-CD2 3.68Å; P462-W484 VanDerWaalsContact CG-CE2 3.43Å; P462-W484 HydrophobicContact CG-CE3 4.16Å; P462-W484 HydrophobicContact CG-CG 4.08Å; P462-W484 HydrophobicContact CG-CH2 4.21Å; P462-W484 HydrophobicContact CG-CZ2 3.75Å; P462-W484 HydrophobicContact CG-CZ3 4.41Å; V480-W484 VanDerWaalsContact O-CB 3.3Å; V480-W484 WeakPolarHBondContact O-CB 3.37Å; V480-W484 PolarHBondContact O-N 2.83Å; A481-W484 PolarHBondContact O-N 3.19Å; W484-Q486 VanDerWaalsContact C-N 3.29Å; W484-Q486 PolarHBondContact O-N 3.02Å; W484-K487 PolarHBondContact O-N 2.78Å; W484-F488 AromaticContact CD2-CD2 3.73Å; W484-F488 HydrophobicContact CD2-CD2 3.73Å; W484-F488 HydrophobicContact CD2-CE2 4.45Å; W484-F488 AromaticContact CE3-CD2 3.34Å; W484-F488 HydrophobicContact CE3-CD2 3.34Å; W484-F488 AromaticContact CE3-CE2 3.63Å; W484-F488 HydrophobicContact CE3-CE2 3.63Å; W484-F488 HydrophobicContact CE3-CG 4.41Å; W484-F488 HydrophobicContact CG-CD2 4.42Å; W484-F488 HydrophobicContact CH2-CD2 4.17Å; W484-F488 HydrophobicContact CZ2-CD2 4.48Å; W484-F488 AromaticContact CZ3-CD2 3.59Å; W484-F488 HydrophobicContact CZ3-CD2 3.59Å; W484-F488 AromaticContact CZ3-CE2 3.71Å; W484-F488 HydrophobicContact CZ3-CE2 3.71Å; W484-F488 HydrophobicContact CZ3-CG 4.43Å; W484-F488 PolarHBondContact O-N 3.31Å; W484-K490 HydrophobicContact CZ2-CB 4.21Å; W484-K490 HydrophobicContact CZ2-CD 4.23Å; W484-K490 PolarHBondContact NE1-O 3.22Å; W484-D491 PolarHBondContact NE1-O 3.15Å; W484-A492 HydrophobicContact CG-CB 4.38Å
485	R	97.7	Very high	98	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-57.1	-48.7	179.3	-175.1	-70.5	-169	173.5	-15.2	109.4	G391 V394 M395 C425 H426 G427 I429 A481 K487 K489	G391-R485 PolarHBondContact O-NH1 3.44Å; G391-R485 PolarHBondContact O-NH2 2.9Å; V394-R485 PolarHBondContact O-NH2 3.07Å; M395-R485 HydrophobicContact CE-CB 4.36Å; M395-R485 VanDerWaalsContact CE-CD 3.48Å; M395-R485 HydrophobicContact CE-CG 4.01Å; C425-R485 PolarHBondContact O-NH2 3.4Å; H426-R485 PolarHBondContact O-NE 3.44Å; G427-R485 WeakPolarHBondContact O-CG 3.23Å; G427-R485 PolarHBondContact O-NE 3.34Å; I429-R485 HydrophobicContact CD1-CB 3.61Å; I429-R485 HydrophobicContact CD1-CG 4.12Å; I429-R485 HydrophobicContact CG1-CB 4.48Å; A481-R485 PolarHBondContact O-N 2.94Å; R485-K487 PolarHBondContact O-N 3.36Å; R485-K489 WeakPolarHBondContact O-CA 3.35Å; R485-K489 PolarHBondContact O-N 2.9Å
486	Q	97	Very high	98	Very high	25 Å²	25	18 Å²	18	12%	0.117	8%	0.082	C	C	.	.	H	α-helix	trans	-66.6	-37.7	-176.2	-165.7	67.5	-1.2	0	0	113.1	L292 E392 A482 E483 W484 K489	L292-Q486 HydrophobicContact CB-CB 4.36Å; L292-Q486 HydrophobicContact CB-CG 3.86Å; L292-Q486 HydrophobicContact CD1-CB 4.03Å; L292-Q486 HydrophobicContact CD1-CG 4.4Å; L292-Q486 PolarHBondContact O-NE2 3.48Å; E392-Q486 PolarHBondContact O-NE2 3.28Å; A482-Q486 WeakPolarHBondContact O-CB 3.32Å; A482-Q486 PolarHBondContact O-N 2.9Å; A482-Q486 VanDerWaalsContact O-N 3.08Å; E483-Q486 PolarHBondContact O-N 3.07Å; W484-Q486 VanDerWaalsContact C-N 3.29Å; W484-Q486 PolarHBondContact O-N 3.02Å; Q486-K489 VanDerWaalsContact O-CE 3.24Å; Q486-K489 WeakPolarHBondContact O-CE 3.39Å; Q486-K489 PolarHBondContact O-NZ 3.27Å; Q486-K489 VanDerWaalsContact O-NZ 3.07Å
487	K	97.2	Very high	98	Very high	123 Å²	123	17.4 Å²	17.4	54%	0.535	8%	0.08	S	C	.	.	H	α-helix	trans	-75.7	-47.7	-178.6	-178	171.6	-178.8	173.9	0	112.9	W225 E483 W484 R485	W225-K487 HydrophobicContact CD2-CD 4.43Å; W225-K487 HydrophobicContact CG-CD 4.3Å; E483-K487 VanDerWaalsContact O-CB 3.27Å; E483-K487 WeakPolarHBondContact O-CB 3.34Å; E483-K487 PolarHBondContact O-N 2.88Å; W484-K487 PolarHBondContact O-N 2.78Å; R485-K487 PolarHBondContact O-N 3.36Å
488	F	96.9	Very high	97.9	Very high	38 Å²	38	17.4 Å²	17.4	17%	0.167	8%	0.08	C	C	.	.	H	α-helix	trans	-104.5	-7.8	-170.3	-64.1	-64.6	0	0	0	114.3	Q222 W225 W484 K490	Q222-F488 HydrophobicContact CB-CE1 4.49Å; Q222-F488 HydrophobicContact CB-CZ 4.38Å; Q222-F488 HydrophobicContact CG-CD1 3.56Å; Q222-F488 HydrophobicContact CG-CD2 4.19Å; Q222-F488 HydrophobicContact CG-CE1 3.52Å; Q222-F488 HydrophobicContact CG-CE2 4.15Å; Q222-F488 HydrophobicContact CG-CG 3.89Å; Q222-F488 HydrophobicContact CG-CZ 3.82Å; W225-F488 HydrophobicContact CB-CE2 3.92Å; W225-F488 HydrophobicContact CB-CZ 3.72Å; W225-F488 AromaticContact CD2-CE2 3.61Å; W225-F488 HydrophobicContact CD2-CE2 3.61Å; W225-F488 HydrophobicContact CD2-CZ 4.23Å; W225-F488 AromaticContact CE3-CE2 3.79Å; W225-F488 HydrophobicContact CE3-CE2 3.79Å; W225-F488 AromaticContact CG-CE2 3.7Å; W225-F488 HydrophobicContact CG-CE2 3.7Å; W225-F488 AromaticContact CG-CZ 3.8Å; W225-F488 HydrophobicContact CG-CZ 3.8Å; W484-F488 AromaticContact CD2-CD2 3.73Å; W484-F488 HydrophobicContact CD2-CD2 3.73Å; W484-F488 HydrophobicContact CD2-CE2 4.45Å; W484-F488 AromaticContact CE3-CD2 3.34Å; W484-F488 HydrophobicContact CE3-CD2 3.34Å; W484-F488 AromaticContact CE3-CE2 3.63Å; W484-F488 HydrophobicContact CE3-CE2 3.63Å; W484-F488 HydrophobicContact CE3-CG 4.41Å; W484-F488 HydrophobicContact CG-CD2 4.42Å; W484-F488 HydrophobicContact CH2-CD2 4.17Å; W484-F488 HydrophobicContact CZ2-CD2 4.48Å; W484-F488 AromaticContact CZ3-CD2 3.59Å; W484-F488 HydrophobicContact CZ3-CD2 3.59Å; W484-F488 AromaticContact CZ3-CE2 3.71Å; W484-F488 HydrophobicContact CZ3-CE2 3.71Å; W484-F488 HydrophobicContact CZ3-CG 4.43Å; W484-F488 PolarHBondContact O-N 3.31Å; F488-K490 PolarHBondContact O-N 2.87Å
489	K	96.7	Very high	97.9	Very high	48 Å²	48	17.5 Å²	17.5	21%	0.209	8%	0.08	C	C	.	.			trans	57.2	37.9	179.4	-53.8	-52	-173.4	-175.8	0	112.9	A390 G391 E392 H426 G427 R485 Q486	A390-K489 WeakPolarHBondContact O-CE 3.19Å; G391-K489 PolarHBondContact O-NZ 2.78Å; E392-K489 VanDerWaalsContact CG-NZ 3.32Å; H426-K489 VanDerWaalsContact C-C 3.49Å; H426-K489 CarbonylContact C-O 3.32Å; H426-K489 VanDerWaalsContact C-O 3.23Å; H426-K489 HydrophobicContact CB-CB 3.97Å; H426-K489 HydrophobicContact CB-CD 4.18Å; H426-K489 HydrophobicContact CB-CG 4.39Å; H426-K489 CarbonylContact O-C 3.55Å; H426-K489 VanDerWaalsContact O-C 3.31Å; H426-K489 VanDerWaalsContact O-CA 3.27Å; H426-K489 WeakPolarHBondContact O-CA 3.45Å; G427-K489 PolarHBondContact N-O 3.18Å; R485-K489 WeakPolarHBondContact O-CA 3.35Å; R485-K489 PolarHBondContact O-N 2.9Å; Q486-K489 VanDerWaalsContact O-CE 3.24Å; Q486-K489 WeakPolarHBondContact O-CE 3.39Å; Q486-K489 PolarHBondContact O-NZ 3.27Å; Q486-K489 VanDerWaalsContact O-NZ 3.07Å
490	K	97	Very high	97.8	Very high	63 Å²	63	17.4 Å²	17.4	27%	0.274	8%	0.077	S	C	.	.			trans	-127.2	156.6	-177.8	-75.8	-171.9	175.5	-173.2	0	111.1	W484 F488	W484-K490 HydrophobicContact CZ2-CB 4.21Å; W484-K490 HydrophobicContact CZ2-CD 4.23Å; W484-K490 PolarHBondContact NE1-O 3.22Å; F488-K490 PolarHBondContact O-N 2.87Å
491	D	98.3	Very high	97.7	Very high	8 Å²	8	19.5 Å²	19.5	4%	0.043	9%	0.085	C	C	.	.			trans	-61.2	150.1	175.6	-66.5	14	0	0	0	110.5	F415 G427 S428 H430 A461 P462 W484	F415-D491 VanDerWaalsContact CD1-OD2 3.28Å; F415-D491 WeakPolarHBondContact CD1-OD2 3.47Å; F415-D491 HydrophobicContact CE1-CB 4.19Å; F415-D491 WeakPolarHBondContact CE1-OD2 3.49Å; G427-D491 WeakPolarHBondContact CA-OD1 3.37Å; S428-D491 PolarHBondContact N-OD1 3.04Å; S428-D491 VanDerWaalsContact O-CA 3.23Å; S428-D491 WeakPolarHBondContact O-CA 3.33Å; H430-D491 IonicContact NE2-OD2 2.97Å; H430-D491 PolarHBondContact NE2-OD2 3.02Å; A461-D491 HydrophobicContact CB-CB 4.24Å; P462-D491 WeakPolarHBondContact CD-O 3.26Å; W484-D491 PolarHBondContact NE1-O 3.15Å
492	A	98.3	Very high	97.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	140	169.8	0	0	0	0	0	109.2	S428 I429 H430 P462 F464 A481 W484	S428-A492 PolarHBondContact O-N 3.06Å; I429-A492 HydrophobicContact CD1-CB 4.13Å; H430-A492 PolarHBondContact N-O 3.4Å; P462-A492 HydrophobicContact CG-CB 4.24Å; F464-A492 HydrophobicContact CE2-CB 4.21Å; A481-A492 HydrophobicContact CB-CB 4.11Å; W484-A492 HydrophobicContact CG-CB 4.38Å
493	V	98.8	Very high	97.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.1	-177.5	-171.4	0	0	0	0	110.5	F405 F415 H430 V432 T453 A456 A461 P462 I463 F464	F405-V493 HydrophobicContact CZ-CG1 4.48Å; F415-V493 HydrophobicContact CZ-CG2 4.25Å; H430-V493 HydrophobicContact CB-CB 4.36Å; H430-V493 HydrophobicContact CB-CG1 4.17Å; H430-V493 HydrophobicContact CB-CG2 4.06Å; V432-V493 HydrophobicContact CG2-CG1 4.23Å; T453-V493 HydrophobicContact CG2-CG1 3.49Å; T453-V493 VanDerWaalsContact CG2-CG1 3.49Å; A456-V493 HydrophobicContact CB-CG2 3.48Å; A456-V493 VanDerWaalsContact CB-CG2 3.48Å; A461-V493 HydrophobicContact CB-CG2 4.25Å; P462-V493 PolarHBondContact O-N 3.5Å; I463-V493 WeakPolarHBondContact CA-O 3.45Å; I463-V493 HydrophobicContact CG1-CB 4.28Å; I463-V493 HydrophobicContact CG2-CB 4.48Å; F464-V493 WeakPolarHBondContact CD2-O 3.25Å; F464-V493 PolarHBondContact N-O 2.76Å
494	I	98.8	Very high	96.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	111.7	173.5	-54	174	0	0	0	107.3	I285 I429 H430 I431 V432 F464 V466 V477 A481 L496	I285-I494 HydrophobicContact CD1-CD1 3.97Å; I429-I494 HydrophobicContact CG2-CD1 4.18Å; H430-I494 PolarHBondContact O-N 2.86Å; I431-I494 CarbonylContact C-O 3.42Å; I431-I494 WeakPolarHBondContact CA-O 3.43Å; I431-I494 HydrophobicContact CG1-CD1 4.49Å; V432-I494 PolarHBondContact N-O 3.42Å; F464-I494 HydrophobicContact CD2-CG1 4.37Å; F464-I494 CarbonylContact O-C 3.58Å; F464-I494 WeakPolarHBondContact O-CA 3.33Å; V466-I494 HydrophobicContact CG1-CG2 4.12Å; V477-I494 HydrophobicContact CG1-CB 4.45Å; V477-I494 HydrophobicContact CG1-CD1 4.29Å; V477-I494 HydrophobicContact CG1-CG1 3.97Å; V477-I494 HydrophobicContact CG1-CG2 3.84Å; A481-I494 HydrophobicContact CB-CD1 3.78Å; A481-I494 HydrophobicContact CB-CG1 4.04Å; I494-L496 HydrophobicContact CG2-CD2 3.77Å; I494-L496 HydrophobicContact CG2-CG 4.08Å
495	D	98.5	Very high	96.4	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.011	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	98.7	171.7	-179.5	19.9	0	0	0	108.9	N434 T453 F464 H465 V466 V497	N434-D495 WeakPolarHBondContact CB-OD1 3.48Å; N434-D495 PolarHBondContact ND2-OD1 3.1Å; N434-D495 PolarHBondContact ND2-OD2 2.84Å; T453-D495 HydrophobicContact CG2-CB 3.84Å; F464-D495 PolarHBondContact O-N 2.68Å; H465-D495 HydrophobicContact CB-CB 4.39Å; H465-D495 IonicContact CE1-OD2 3.34Å; H465-D495 IonicContact CG-OD2 3.05Å; H465-D495 IonicContact ND1-OD2 3.24Å; H465-D495 PolarHBondContact ND1-OD2 3.01Å; V466-D495 PolarHBondContact N-O 2.64Å; D495-V497 PolarHBondContact O-N 2.78Å
496	L	98.2	Very high	96	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	91	176	-65.8	-179.7	0	0	0	108.8	L278 I431 V432 N434 V466 V474 I494 C498	L278-L496 HydrophobicContact CB-CD1 4.43Å; L278-L496 HydrophobicContact CD1-CD1 3.83Å; I431-L496 HydrophobicContact CG2-CD1 3.44Å; I431-L496 VanDerWaalsContact CG2-CD1 3.44Å; I431-L496 HydrophobicContact CG2-CG 3.85Å; V432-L496 PolarHBondContact O-N 3.49Å; N434-L496 PolarHBondContact N-O 2.88Å; V466-L496 HydrophobicContact CG1-CD2 3.58Å; V474-L496 HydrophobicContact CG1-CD2 3.73Å; V474-L496 HydrophobicContact CG2-CD2 4.11Å; I494-L496 HydrophobicContact CG2-CD2 3.77Å; I494-L496 HydrophobicContact CG2-CG 4.08Å; L496-C498 PolarHBondContact O-N 3.44Å
497	V	97.6	Very high	95.7	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.055	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	111.3	-180	-171.5	0	0	0	0	108.8	L144 P146 Q436 V466 A468 D495	L144-V497 HydrophobicContact CB-CB 4.46Å; L144-V497 HydrophobicContact CB-CG2 4.2Å; L144-V497 WeakPolarHBondContact O-CB 3.4Å; L144-V497 WeakPolarHBondContact O-CG1 3.38Å; P146-V497 WeakPolarHBondContact CD-O 3.14Å; Q436-V497 HydrophobicContact CG-CG1 4.49Å; V466-V497 PolarHBondContact O-N 2.74Å; A468-V497 WeakPolarHBondContact CB-O 3.16Å; A468-V497 PolarHBondContact N-O 3.14Å; D495-V497 PolarHBondContact O-N 2.78Å
498	C	97.3	Very high	95.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.126	C	C	.	.			trans	-142.3	-163.7	-167.4	80.3	0	0	0	0	110.4	G274 C275 N434 N435 Q436 A468 L496	G274-C498 VanDerWaalsContact O-CB 3.29Å; G274-C498 WeakPolarHBondContact O-CB 3.33Å; C275-C498 HydrophobicContact CB-CB 3.82Å; C275-C498 WeakPolarHBondContact CB-SG 3.47Å; N434-C498 PolarHBondContact O-N 3.36Å; N434-C498 PolarHBondContact O-SG 2.92Å; N435-C498 VanDerWaalsContact CA-SG 3.55Å; Q436-C498 PolarHBondContact NE2-O 2.93Å; A468-C498 HydrophobicContact CB-CB 3.49Å; A468-C498 VanDerWaalsContact CB-CB 3.49Å; L496-C498 PolarHBondContact O-N 3.44Å
499	Y	97	Very high	95.5	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.008	14%	0.137	C	C	.	.			trans	-138.1	175.1	172.6	58.2	-92.5	0	0	0	111.8	P146 L147 G274 R304 R501 I521 T524	P146-Y499 HydrophobicContact CB-CD1 4.33Å; P146-Y499 HydrophobicContact CB-CE1 4.47Å; P146-Y499 HydrophobicContact CG-CD1 3.92Å; P146-Y499 HydrophobicContact CG-CE1 4.49Å; L147-Y499 HydrophobicContact CD2-CD1 3.83Å; L147-Y499 HydrophobicContact CD2-CE1 4.45Å; L147-Y499 HydrophobicContact CD2-CG 3.99Å; L147-Y499 HydrophobicContact CG-CD1 4.36Å; L147-Y499 HydrophobicContact CG-CG 4.48Å; G274-Y499 CarbonylContact C-O 3.59Å; G274-Y499 PolarHBondContact O-N 2.87Å; R304-Y499 PolarHBondContact NH2-O 3.11Å; Y499-R501 HydrophobicContact CE2-CB 4.49Å; Y499-I521 HydrophobicContact CD2-CG1 4.21Å; Y499-I521 HydrophobicContact CD2-CG2 3.64Å; Y499-I521 HydrophobicContact CE2-CG2 3.88Å; Y499-I521 HydrophobicContact CG-CG1 4.35Å; Y499-T524 HydrophobicContact CE1-CG2 3.85Å
500	R	96.6	Very high	95.4	Very high	13 Å²	13	27 Å²	27	5%	0.049	13%	0.13	C	C	.	.			trans	-114.9	109.5	171.4	-167.7	175.6	68.7	-150.3	0.8	109.5	N435 F439 H502 G503 H504 Y518	N435-R500 HydrophobicContact CB-CB 4.23Å; F439-R500 PolarHBondContact O-NH2 2.97Å; R500-H502 WeakPolarHBondContact CG-O 3.5Å; R500-H502 PolarHBondContact NE-O 3.19Å; R500-H502 PolarHBondContact O-N 3.4Å; R500-G503 WeakPolarHBondContact CD-O 3.33Å; R500-G503 VanDerWaalsContact NE-C 3.27Å; R500-G503 PolarHBondContact NE-O 3.49Å; R500-H504 VanDerWaalsContact NH2-N 3.15Å; R500-Y518 PolarHBondContact NE-OH 3.24Å; R500-Y518 PolarHBondContact NH2-OH 3.46Å; R500-Y518 WeakPolarHBondContact O-CE1 3.23Å
501	R	95.4	Very high	95.3	Very high	46 Å²	46	25.9 Å²	25.9	17%	0.174	13%	0.13	C	C	.	.	S	Bend	trans	-57.2	-36.5	-174.9	-178.9	68.2	-80.8	-164.1	-2.8	113	E273 Y499 I521 H522	E273-R501 HydrophobicContact CB-CB 3.48Å; E273-R501 VanDerWaalsContact CB-CB 3.48Å; E273-R501 HydrophobicContact CB-CG 3.89Å; E273-R501 WeakPolarHBondContact O-CB 3.17Å; E273-R501 PolarHBondContact O-N 2.8Å; Y499-R501 HydrophobicContact CE2-CB 4.49Å; R501-I521 PolarHBondContact NH1-O 3.35Å; R501-I521 PolarHBondContact NH2-O 2.95Å; R501-I521 VanDerWaalsContact NH2-O 3.08Å; R501-H522 PolarHBondContact NH2-ND1 3.27Å; R501-H522 VanDerWaalsContact NH2-ND1 3.11Å
502	H	94	Very high	95.2	Very high	72 Å²	72	33.9 Å²	33.9	33%	0.333	17%	0.165	S	C	.	.	S	Bend	trans	-113.5	-177.9	-177.4	-59.3	-60.4	0	0	0	111.8	E273 R500 E506 Y518	E273-H502 IonicContact OE1-CD2 2.68Å; E273-H502 IonicContact OE1-NE2 3.65Å; E273-H502 IonicContact OE2-CD2 2.91Å; R500-H502 WeakPolarHBondContact CG-O 3.5Å; R500-H502 PolarHBondContact NE-O 3.19Å; R500-H502 PolarHBondContact O-N 3.4Å; H502-E506 HydrophobicContact CB-CG 4.36Å; H502-Y518 WeakPolarHBondContact O-CE1 3.44Å; H502-Y518 PolarHBondContact O-OH 3.25Å
503	G	92.6	Very high	95.1	Very high	4 Å²	4	36.9 Å²	36.9	4%	0.041	18%	0.184	C	C	.	.			trans	-62.2	-175.9	171.2	0	0	0	0	0	113.4	R500 N505 D508	R500-G503 WeakPolarHBondContact CD-O 3.33Å; R500-G503 VanDerWaalsContact NE-C 3.27Å; R500-G503 PolarHBondContact NE-O 3.49Å; G503-N505 CarbonylContact C-O 3.58Å; G503-N505 WeakPolarHBondContact CA-O 3.46Å; G503-N505 PolarHBondContact O-N 2.9Å; G503-D508 WeakPolarHBondContact CA-O 3.44Å
504	H	91.4	Very high	95	Very high	42 Å²	42	38.5 Å²	38.5	19%	0.194	19%	0.191	C	C	.	.	S	Bend	trans	-59.2	-35.6	-178.8	178.7	53.9	0	0	0	112.6	F270 H303 F439 R500 D508	F270-H504 WeakPolarHBondContact CD1-O 3.24Å; H303-H504 AromaticContact NE2-CE1 3.76Å; F439-H504 HydrophobicContact CB-CB 4.49Å; F439-H504 HydrophobicContact CD1-CB 3.46Å; F439-H504 VanDerWaalsContact CD1-CB 3.46Å; F439-H504 AromaticContact CD1-CG 3.8Å; F439-H504 AromaticContact CD2-CD2 3.64Å; F439-H504 HydrophobicContact CE1-CB 3.78Å; F439-H504 AromaticContact CE2-CD2 3.83Å; F439-H504 HydrophobicContact CG-CB 3.94Å; F439-H504 AromaticContact CG-CD2 3.77Å; F439-H504 AromaticContact CG-CG 3.73Å; F439-H504 HydrophobicContact CZ-CB 4.47Å; R500-H504 VanDerWaalsContact NH2-N 3.15Å; H504-D508 PolarHBondContact N-OD2 3.44Å
505	N	89.7	Confident	94.8	Very high	19 Å²	19	42.1 Å²	42.1	10%	0.102	21%	0.214	C	C	.	.	S	Bend	trans	-122.8	169.2	156.1	61.5	91.9	0	0	0	107.5	K268 F270 G503 L507 D508	K268-N505 HydrophobicContact CB-CB 4.3Å; K268-N505 HydrophobicContact CD-CB 3.94Å; K268-N505 WeakPolarHBondContact CE-OD1 3.23Å; K268-N505 HydrophobicContact CG-CB 3.93Å; F270-N505 HydrophobicContact CE1-CB 4.18Å; G503-N505 CarbonylContact C-O 3.58Å; G503-N505 WeakPolarHBondContact CA-O 3.46Å; G503-N505 PolarHBondContact O-N 2.9Å; N505-L507 PolarHBondContact O-N 2.99Å; N505-L507 VanDerWaalsContact O-N 3.09Å; N505-L507 WeakPolarHBondContact OD1-CB 3.36Å; N505-L507 PolarHBondContact OD1-N 3.4Å; N505-D508 WeakPolarHBondContact O-CB 3.48Å; N505-D508 PolarHBondContact O-N 3.24Å
506	E	89.6	Confident	94.6	Very high	36 Å²	36	49.2 Å²	49.2	17%	0.168	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-10.1	-170	-64.4	80.1	-168.2	0	0	114.2	R269 F270 G271 H502	R269-E506 VanDerWaalsContact CG-CD 3.43Å; R269-E506 HydrophobicContact CG-CG 4.21Å; R269-E506 VanDerWaalsContact CG-OE1 3.27Å; R269-E506 WeakPolarHBondContact CG-OE1 3.23Å; R269-E506 PolarHBondContact N-OE2 2.83Å; F270-E506 WeakPolarHBondContact CA-OE1 3.3Å; F270-E506 PolarHBondContact N-OE1 3.4Å; F270-E506 PolarHBondContact N-OE2 3.44Å; G271-E506 PolarHBondContact N-OE1 3.02Å; H502-E506 HydrophobicContact CB-CG 4.36Å
507	L	90.1	Very high	94.5	Very high	108 Å²	108	49.8 Å²	49.8	57%	0.565	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-5.1	174.9	-54.7	176.6	0	0	0	113.2	N505	N505-L507 PolarHBondContact O-N 2.99Å; N505-L507 VanDerWaalsContact O-N 3.09Å; N505-L507 WeakPolarHBondContact OD1-CB 3.36Å; N505-L507 PolarHBondContact OD1-N 3.4Å
508	D	93.3	Very high	94.5	Very high	47 Å²	47	49.5 Å²	49.5	25%	0.251	25%	0.252	S	S	.	.			trans	-85.5	137.9	-180	-178.3	52.4	0	0	0	110.4	G503 H504 N505 P510	G503-D508 WeakPolarHBondContact CA-O 3.44Å; H504-D508 PolarHBondContact N-OD2 3.44Å; N505-D508 WeakPolarHBondContact O-CB 3.48Å; N505-D508 PolarHBondContact O-N 3.24Å; D508-P510 VanDerWaalsContact O-CD 3.23Å; D508-P510 WeakPolarHBondContact O-CD 3.27Å
509	E	95.4	Very high	94.4	Very high	87 Å²	87	51.8 Å²	51.8	41%	0.407	27%	0.271	S	S	.	.			trans	-98.9	101.3	177.4	175.4	52.6	-110.1	0	0	109.9	S511 F512	E509-S511 WeakPolarHBondContact OE1-CB 3.33Å; E509-S511 PolarHBondContact OE1-N 3.07Å; E509-S511 PolarHBondContact OE1-OG 3.27Å; E509-F512 HydrophobicContact CB-CD2 4.03Å; E509-F512 HydrophobicContact CB-CE2 3.71Å; E509-F512 HydrophobicContact CB-CZ 3.97Å; E509-F512 HydrophobicContact CG-CD1 3.94Å; E509-F512 HydrophobicContact CG-CD2 4.04Å; E509-F512 HydrophobicContact CG-CE1 3.69Å; E509-F512 HydrophobicContact CG-CE2 3.81Å; E509-F512 HydrophobicContact CG-CG 4.11Å; E509-F512 HydrophobicContact CG-CZ 3.63Å; E509-F512 WeakPolarHBondContact O-CD2 3.37Å
510	P	95.6	Very high	94.4	Very high	9 Å²	9	55.8 Å²	55.8	6%	0.058	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-84.4	-16.1	-170.1	35.3	-38.7	0	0	0	113.6	D508 F512 T513 Q514 Y518	D508-P510 VanDerWaalsContact O-CD 3.23Å; D508-P510 WeakPolarHBondContact O-CD 3.27Å; P510-F512 PolarHBondContact O-N 2.91Å; P510-F512 VanDerWaalsContact O-N 3.11Å; P510-T513 PolarHBondContact O-N 3.03Å; P510-T513 PolarHBondContact O-OG1 2.83Å; P510-Q514 PolarHBondContact O-N 2.78Å; P510-Y518 HydrophobicContact CB-CD1 4.24Å; P510-Y518 HydrophobicContact CB-CD2 3.73Å; P510-Y518 HydrophobicContact CB-CE1 3.82Å; P510-Y518 HydrophobicContact CB-CE2 3.23Å; P510-Y518 HydrophobicContact CB-CG 4.19Å; P510-Y518 WeakPolarHBondContact CB-OH 3.32Å; P510-Y518 HydrophobicContact CG-CD1 3.38Å; P510-Y518 HydrophobicContact CG-CD2 3.77Å; P510-Y518 HydrophobicContact CG-CE1 3.12Å; P510-Y518 HydrophobicContact CG-CE2 3.53Å; P510-Y518 HydrophobicContact CG-CG 3.69Å
511	S	95.4	Very high	94.4	Very high	40 Å²	40	55.2 Å²	55.2	28%	0.28	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-64.3	-16.9	178.4	-47.7	0	0	0	0	112.5	E509 T513 P515	E509-S511 WeakPolarHBondContact OE1-CB 3.33Å; E509-S511 PolarHBondContact OE1-N 3.07Å; E509-S511 PolarHBondContact OE1-OG 3.27Å; S511-T513 PolarHBondContact O-N 2.75Å; S511-P515 WeakPolarHBondContact O-CB 3.17Å; S511-P515 WeakPolarHBondContact O-CD 3.43Å
512	F	96.4	Very high	94.5	Very high	175 Å²	175	58.9 Å²	58.9	77%	0.768	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-62.2	-27.2	172.5	-65	-22	0	0	0	113.6	E509 P510	E509-F512 HydrophobicContact CB-CD2 4.03Å; E509-F512 HydrophobicContact CB-CE2 3.71Å; E509-F512 HydrophobicContact CB-CZ 3.97Å; E509-F512 HydrophobicContact CG-CD1 3.94Å; E509-F512 HydrophobicContact CG-CD2 4.04Å; E509-F512 HydrophobicContact CG-CE1 3.69Å; E509-F512 HydrophobicContact CG-CE2 3.81Å; E509-F512 HydrophobicContact CG-CG 4.11Å; E509-F512 HydrophobicContact CG-CZ 3.63Å; E509-F512 WeakPolarHBondContact O-CD2 3.37Å; P510-F512 PolarHBondContact O-N 2.91Å; P510-F512 VanDerWaalsContact O-N 3.11Å
513	T	95.9	Very high	94.5	Very high	64 Å²	64	62.5 Å²	62.5	39%	0.393	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-32.1	-177.4	55.5	0	0	0	0	112.8	T440 P510 S511 P515	T440-T513 HydrophobicContact CG2-CG2 4.13Å; P510-T513 PolarHBondContact O-N 3.03Å; P510-T513 PolarHBondContact O-OG1 2.83Å; S511-T513 PolarHBondContact O-N 2.75Å; T513-P515 VanDerWaalsContact C-CD 3.41Å; T513-P515 WeakPolarHBondContact O-CD 3.43Å
514	Q	95.4	Very high	94.7	Very high	34 Å²	34	63.1 Å²	63.1	16%	0.159	33%	0.325	C	S	.	.			trans	-126.8	55.7	-176.6	-56.3	-57.3	-24.1	0	0	112.6	I437 T440 P510 L516 M517 Y518	I437-Q514 HydrophobicContact CD1-CB 4.43Å; I437-Q514 HydrophobicContact CD1-CG 3.62Å; T440-Q514 PolarHBondContact O-NE2 2.91Å; P510-Q514 PolarHBondContact O-N 2.78Å; Q514-L516 VanDerWaalsContact C-N 3.35Å; Q514-L516 PolarHBondContact O-N 2.68Å; Q514-M517 HydrophobicContact CB-CB 4.23Å; Q514-M517 HydrophobicContact CB-CE 4.23Å; Q514-M517 PolarHBondContact O-N 3.2Å; Q514-Y518 HydrophobicContact CB-CD2 4.02Å; Q514-Y518 HydrophobicContact CB-CE2 4.27Å; Q514-Y518 WeakPolarHBondContact O-CD2 3.38Å; Q514-Y518 PolarHBondContact O-N 2.82Å; Q514-Y518 VanDerWaalsContact O-N 3.08Å
515	P	95.9	Very high	94.9	Very high	75 Å²	75	66.4 Å²	66.4	49%	0.487	34%	0.339	S	S	.	.	H	α-helix	trans	-61.1	-38.6	-170.3	23.8	-34	0	0	0	113.6	S511 T513 A519	S511-P515 WeakPolarHBondContact O-CB 3.17Å; S511-P515 WeakPolarHBondContact O-CD 3.43Å; T513-P515 VanDerWaalsContact C-CD 3.41Å; T513-P515 WeakPolarHBondContact O-CD 3.43Å; P515-A519 VanDerWaalsContact O-CB 3.3Å; P515-A519 WeakPolarHBondContact O-CB 3.44Å; P515-A519 PolarHBondContact O-N 3.08Å
516	L	94.6	Very high	95.1	Very high	151 Å²	151	67.3 Å²	67.3	79%	0.791	35%	0.346	S	S	*	.	H	α-helix	trans	-69.4	-43.8	-178.9	-62.5	-179.6	0	0	0	111.9	Q514 A519 K520	Q514-L516 VanDerWaalsContact C-N 3.35Å; Q514-L516 PolarHBondContact O-N 2.68Å; L516-A519 PolarHBondContact O-N 3.11Å; L516-K520 PolarHBondContact O-N 2.8Å; L516-K520 VanDerWaalsContact O-N 3.16Å
517	M	95.7	Very high	95.5	Very high	13 Å²	13	65.6 Å²	65.6	6%	0.064	34%	0.338	C	S	.	.	H	α-helix	trans	-59.9	-49.2	176.2	-175.6	177	82.9	0	0	110.2	L147 I149 I437 Q514 A519 K520 I521	L147-M517 HydrophobicContact CD1-CG 3.86Å; I149-M517 HydrophobicContact CD1-CB 3.94Å; I149-M517 HydrophobicContact CD1-CG 3.62Å; I149-M517 HydrophobicContact CD1-SD 4.33Å; I437-M517 HydrophobicContact CB-CE 4.08Å; I437-M517 HydrophobicContact CD1-CE 3.72Å; I437-M517 HydrophobicContact CG1-CE 4.46Å; I437-M517 HydrophobicContact CG2-CE 4.05Å; Q514-M517 HydrophobicContact CB-CB 4.23Å; Q514-M517 HydrophobicContact CB-CE 4.23Å; Q514-M517 PolarHBondContact O-N 3.2Å; M517-A519 PolarHBondContact O-N 3.05Å; M517-K520 WeakPolarHBondContact O-CB 3.46Å; M517-K520 PolarHBondContact O-N 3.39Å; M517-K520 VanDerWaalsContact O-N 3.14Å; M517-I521 HydrophobicContact CE-CD1 4.07Å; M517-I521 HydrophobicContact CG-CD1 3.78Å; M517-I521 HydrophobicContact CG-CG1 4.36Å; M517-I521 VanDerWaalsContact O-CG1 3.27Å; M517-I521 WeakPolarHBondContact O-CG1 3.36Å; M517-I521 PolarHBondContact O-N 3.44Å; M517-I521 HydrophobicContact SD-CD1 4.47Å
518	Y	96.5	Very high	95.8	Very high	2 Å²	2	61 Å²	61	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-69.9	-33.5	-178	-82.8	-88.5	0	0	0	113.4	I437 R500 H502 P510 Q514 K520 I521 H522	I437-Y518 HydrophobicContact CD1-CE2 4.49Å; R500-Y518 PolarHBondContact NE-OH 3.24Å; R500-Y518 PolarHBondContact NH2-OH 3.46Å; R500-Y518 WeakPolarHBondContact O-CE1 3.23Å; H502-Y518 WeakPolarHBondContact O-CE1 3.44Å; H502-Y518 PolarHBondContact O-OH 3.25Å; P510-Y518 HydrophobicContact CB-CD1 4.24Å; P510-Y518 HydrophobicContact CB-CD2 3.73Å; P510-Y518 HydrophobicContact CB-CE1 3.82Å; P510-Y518 HydrophobicContact CB-CE2 3.23Å; P510-Y518 HydrophobicContact CB-CG 4.19Å; P510-Y518 WeakPolarHBondContact CB-OH 3.32Å; P510-Y518 HydrophobicContact CG-CD1 3.38Å; P510-Y518 HydrophobicContact CG-CD2 3.77Å; P510-Y518 HydrophobicContact CG-CE1 3.12Å; P510-Y518 HydrophobicContact CG-CE2 3.53Å; P510-Y518 HydrophobicContact CG-CG 3.69Å; Q514-Y518 HydrophobicContact CB-CD2 4.02Å; Q514-Y518 HydrophobicContact CB-CE2 4.27Å; Q514-Y518 WeakPolarHBondContact O-CD2 3.38Å; Q514-Y518 PolarHBondContact O-N 2.82Å; Q514-Y518 VanDerWaalsContact O-N 3.08Å; Y518-K520 VanDerWaalsContact C-N 3.27Å; Y518-K520 PolarHBondContact O-N 3.12Å; Y518-I521 HydrophobicContact CD1-CD1 4.05Å; Y518-I521 HydrophobicContact CD2-CD1 4.43Å; Y518-I521 HydrophobicContact CE1-CD1 4.06Å; Y518-I521 HydrophobicContact CE2-CD1 4.44Å; Y518-I521 HydrophobicContact CG-CD1 4.26Å; Y518-I521 PolarHBondContact O-N 3.49Å; Y518-H522 PolarHBondContact O-CD2 3.06Å; Y518-H522 PolarHBondContact O-N 3.06Å
519	A	96.7	Very high	95.9	Very high	48 Å²	48	63.4 Å²	63.4	40%	0.397	32%	0.324	S	S	.	.	H	α-helix	trans	-57.1	-41.4	169.9	0	0	0	0	0	111.9	P515 L516 M517 Q523	P515-A519 VanDerWaalsContact O-CB 3.3Å; P515-A519 WeakPolarHBondContact O-CB 3.44Å; P515-A519 PolarHBondContact O-N 3.08Å; L516-A519 PolarHBondContact O-N 3.11Å; M517-A519 PolarHBondContact O-N 3.05Å; A519-Q523 WeakPolarHBondContact O-CG 3.47Å
520	K	96.5	Very high	96	Very high	87 Å²	87	62.8 Å²	62.8	38%	0.378	32%	0.32	S	S	.	.	H	α-helix	trans	-69.6	-44.4	175.9	-169.6	64.1	167.6	-177	0	112.3	L147 I149 L516 M517 Y518 H522 Q523 T524	L147-K520 HydrophobicContact CB-CG 4.12Å; L147-K520 HydrophobicContact CD2-CG 4.42Å; L147-K520 WeakPolarHBondContact O-CE 3.39Å; L147-K520 WeakPolarHBondContact O-CG 3.47Å; I149-K520 HydrophobicContact CG2-CB 4.36Å; I149-K520 HydrophobicContact CG2-CG 4.1Å; L516-K520 PolarHBondContact O-N 2.8Å; L516-K520 VanDerWaalsContact O-N 3.16Å; M517-K520 WeakPolarHBondContact O-CB 3.46Å; M517-K520 PolarHBondContact O-N 3.39Å; M517-K520 VanDerWaalsContact O-N 3.14Å; Y518-K520 VanDerWaalsContact C-N 3.27Å; Y518-K520 PolarHBondContact O-N 3.12Å; K520-H522 VanDerWaalsContact C-N 3.28Å; K520-H522 PolarHBondContact O-N 3.41Å; K520-Q523 PolarHBondContact O-N 2.96Å; K520-T524 PolarHBondContact O-N 3.13Å; K520-T524 VanDerWaalsContact O-N 3.15Å; K520-T524 PolarHBondContact O-OG1 3.12Å
521	I	96.9	Very high	96	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-57.4	-42.7	175.9	-63.7	167	0	0	0	109.6	L147 Y499 R501 M517 Y518 Q523 T524	L147-I521 HydrophobicContact CD1-CD1 4.14Å; L147-I521 HydrophobicContact CD1-CG1 3.66Å; L147-I521 HydrophobicContact CD2-CB 4.48Å; L147-I521 HydrophobicContact CD2-CG1 3.66Å; L147-I521 HydrophobicContact CG-CG1 4.34Å; Y499-I521 HydrophobicContact CD2-CG1 4.21Å; Y499-I521 HydrophobicContact CD2-CG2 3.64Å; Y499-I521 HydrophobicContact CE2-CG2 3.88Å; Y499-I521 HydrophobicContact CG-CG1 4.35Å; R501-I521 PolarHBondContact NH1-O 3.35Å; R501-I521 PolarHBondContact NH2-O 2.95Å; R501-I521 VanDerWaalsContact NH2-O 3.08Å; M517-I521 HydrophobicContact CE-CD1 4.07Å; M517-I521 HydrophobicContact CG-CD1 3.78Å; M517-I521 HydrophobicContact CG-CG1 4.36Å; M517-I521 VanDerWaalsContact O-CG1 3.27Å; M517-I521 WeakPolarHBondContact O-CG1 3.36Å; M517-I521 PolarHBondContact O-N 3.44Å; M517-I521 HydrophobicContact SD-CD1 4.47Å; Y518-I521 HydrophobicContact CD1-CD1 4.05Å; Y518-I521 HydrophobicContact CD2-CD1 4.43Å; Y518-I521 HydrophobicContact CE1-CD1 4.06Å; Y518-I521 HydrophobicContact CE2-CD1 4.44Å; Y518-I521 HydrophobicContact CG-CD1 4.26Å; Y518-I521 PolarHBondContact O-N 3.49Å; I521-Q523 PolarHBondContact O-N 3.19Å; I521-T524 WeakPolarHBondContact O-CB 3.15Å; I521-T524 PolarHBondContact O-N 3.31Å
522	H	95.8	Very high	96.1	Very high	123 Å²	123	61.8 Å²	61.8	57%	0.569	31%	0.312	S	S	*	.	H	α-helix	trans	-59.2	-27.7	176.9	-73.3	-59.2	0	0	0	114.6	R501 Y518 K520	R501-H522 PolarHBondContact NH2-ND1 3.27Å; R501-H522 VanDerWaalsContact NH2-ND1 3.11Å; Y518-H522 PolarHBondContact O-CD2 3.06Å; Y518-H522 PolarHBondContact O-N 3.06Å; K520-H522 VanDerWaalsContact C-N 3.28Å; K520-H522 PolarHBondContact O-N 3.41Å
523	Q	95.6	Very high	96.1	Very high	148 Å²	148	57.7 Å²	57.7	69%	0.692	30%	0.298	S	S	*	.	H	α-helix	trans	-89.4	-12.1	176.4	-62.1	169.3	15.2	0	0	113	A519 K520 I521 K525	A519-Q523 WeakPolarHBondContact O-CG 3.47Å; K520-Q523 PolarHBondContact O-N 2.96Å; I521-Q523 PolarHBondContact O-N 3.19Å; Q523-K525 PolarHBondContact O-N 3.31Å
524	T	95.3	Very high	96.1	Very high	17 Å²	17	59 Å²	59	10%	0.104	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-80.6	121.4	-174.7	-57.2	0	0	0	0	110.2	Y499 K520 I521	Y499-T524 HydrophobicContact CE1-CG2 3.85Å; K520-T524 PolarHBondContact O-N 3.13Å; K520-T524 VanDerWaalsContact O-N 3.15Å; K520-T524 PolarHBondContact O-OG1 3.12Å; I521-T524 WeakPolarHBondContact O-CB 3.15Å; I521-T524 PolarHBondContact O-N 3.31Å
525	K	95.6	Very high	96.1	Very high	112 Å²	112	57.5 Å²	57.5	49%	0.487	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-66.3	137.1	172.8	-74.2	-171.8	174.9	-171.5	0	110.6	Q523 K530 D533	Q523-K525 PolarHBondContact O-N 3.31Å; K525-K530 HydrophobicContact CB-CG 4.13Å; K525-K530 WeakPolarHBondContact O-CE 3.29Å; K525-D533 IonicContact NZ-OD2 2.65Å
526	P	95.5	Very high	96.1	Very high	37 Å²	37	56.5 Å²	56.5	24%	0.24	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-58.1	148.1	174.7	-23.8	33.5	0	0	0	113.7	L528 E529 K530	P526-L528 VanDerWaalsContact C-N 3.26Å; P526-L528 PolarHBondContact O-N 3.1Å; P526-E529 HydrophobicContact CB-CG 4.5Å; P526-E529 PolarHBondContact O-N 3.28Å; P526-K530 PolarHBondContact O-N 2.83Å; P526-K530 VanDerWaalsContact O-N 3.15Å
527	V	96.5	Very high	96.1	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.006	28%	0.281	C	S	.	.	H	α-helix	trans	-57.1	-36.5	-179.4	66.6	0	0	0	0	113.3	L250 E276 P471 E529 K530 Y531	L250-V527 HydrophobicContact CD2-CG1 4.15Å; E276-V527 HydrophobicContact CB-CG1 3.99Å; P471-V527 HydrophobicContact CG-CG2 4.47Å; V527-E529 VanDerWaalsContact C-N 3.34Å; V527-E529 PolarHBondContact O-N 3.04Å; V527-K530 PolarHBondContact O-N 3.27Å; V527-Y531 WeakPolarHBondContact O-CB 3.15Å; V527-Y531 PolarHBondContact O-N 3.44Å
528	L	96.9	Very high	96.1	Very high	11 Å²	11	61.6 Å²	61.6	6%	0.058	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-41.4	177.6	177.1	61.8	0	0	0	111.5	F247 L250 I251 T254 P526 T532	F247-L528 HydrophobicContact CD2-CD1 4.17Å; F247-L528 HydrophobicContact CE2-CD1 3.76Å; L250-L528 HydrophobicContact CB-CD1 3.97Å; I251-L528 HydrophobicContact CG1-CD1 3.8Å; I251-L528 HydrophobicContact CG1-CD2 4.36Å; T254-L528 HydrophobicContact CG2-CB 4.39Å; T254-L528 HydrophobicContact CG2-CD2 4.08Å; P526-L528 VanDerWaalsContact C-N 3.26Å; P526-L528 PolarHBondContact O-N 3.1Å; L528-T532 WeakPolarHBondContact O-CB 3.26Å; L528-T532 PolarHBondContact O-N 2.94Å; L528-T532 PolarHBondContact O-OG1 2.97Å
529	E	96.3	Very high	96	Very high	98 Å²	98	64.6 Å²	64.6	46%	0.458	33%	0.334	S	S	.	.	H	α-helix	trans	-67	-47.9	177.9	-66.6	179.7	-161.3	0	0	110.7	P526 V527 Y531 T532 D533	P526-E529 HydrophobicContact CB-CG 4.5Å; P526-E529 PolarHBondContact O-N 3.28Å; V527-E529 VanDerWaalsContact C-N 3.34Å; V527-E529 PolarHBondContact O-N 3.04Å; E529-Y531 VanDerWaalsContact C-N 3.3Å; E529-Y531 PolarHBondContact O-N 3.15Å; E529-T532 WeakPolarHBondContact O-CB 3.3Å; E529-T532 PolarHBondContact O-N 3.13Å; E529-T532 VanDerWaalsContact O-N 3.14Å; E529-D533 PolarHBondContact O-N 2.9Å
530	K	96.3	Very high	95.8	Very high	73 Å²	73	63.8 Å²	63.8	32%	0.317	32%	0.323	S	S	.	.	H	α-helix	trans	-54.9	-45.9	176.7	-68.2	178.2	174.2	178.3	0	111.8	D469 K525 P526 V527 R534	D469-K530 IonicContact OD2-NZ 2.65Å; D469-K530 PolarHBondContact OD2-NZ 3.09Å; K525-K530 HydrophobicContact CB-CG 4.13Å; K525-K530 WeakPolarHBondContact O-CE 3.29Å; P526-K530 PolarHBondContact O-N 2.83Å; P526-K530 VanDerWaalsContact O-N 3.15Å; V527-K530 PolarHBondContact O-N 3.27Å; K530-R534 PolarHBondContact O-N 3.31Å
531	Y	97	Very high	95.6	Very high	5 Å²	5	60 Å²	60	2%	0.02	31%	0.308	C	S	.	.	H	α-helix	trans	-74.4	-31	-179	-163	-115.4	0	0	0	112.4	Q243 L246 F247 L250 P471 E472 V527 E529 R534 L535	Q243-Y531 WeakPolarHBondContact CB-OH 3.49Å; L246-Y531 HydrophobicContact CB-CE1 4.41Å; L246-Y531 HydrophobicContact CD2-CE1 4.17Å; L246-Y531 HydrophobicContact CD2-CE2 4.38Å; L246-Y531 WeakPolarHBondContact CD2-OH 3.45Å; L246-Y531 HydrophobicContact CG-CE1 3.97Å; F247-Y531 HydrophobicContact CB-CD1 4.34Å; F247-Y531 HydrophobicContact CB-CE1 4.05Å; F247-Y531 HydrophobicContact CD2-CD1 4.13Å; L250-Y531 HydrophobicContact CD1-CD1 3.66Å; L250-Y531 HydrophobicContact CD1-CE1 4.33Å; L250-Y531 HydrophobicContact CD1-CG 4.04Å; P471-Y531 HydrophobicContact CG-CD1 4.43Å; P471-Y531 HydrophobicContact CG-CD2 3.4Å; P471-Y531 VanDerWaalsContact CG-CD2 3.4Å; P471-Y531 HydrophobicContact CG-CE2 3.77Å; P471-Y531 HydrophobicContact CG-CG 3.8Å; E472-Y531 HydrophobicContact CG-CE2 3.89Å; E472-Y531 PolarHBondContact OE1-OH 3.19Å; V527-Y531 WeakPolarHBondContact O-CB 3.15Å; V527-Y531 PolarHBondContact O-N 3.44Å; E529-Y531 VanDerWaalsContact C-N 3.3Å; E529-Y531 PolarHBondContact O-N 3.15Å; Y531-R534 PolarHBondContact O-N 3.23Å; Y531-L535 HydrophobicContact CD1-CD1 3.94Å; Y531-L535 HydrophobicContact CD1-CG 4.29Å; Y531-L535 HydrophobicContact CE1-CD1 3.63Å; Y531-L535 HydrophobicContact CE1-CD2 4.28Å; Y531-L535 HydrophobicContact CE1-CG 4.04Å; Y531-L535 WeakPolarHBondContact O-CG 3.5Å; Y531-L535 PolarHBondContact O-N 3.36Å
532	T	97.1	Very high	95.5	Very high	24 Å²	24	63.1 Å²	63.1	15%	0.147	33%	0.33	C	S	.	.	H	α-helix	trans	-60.4	-52.3	171.1	-59.3	0	0	0	0	110.7	F247 L528 E529 R534 L535 V536 V546	F247-T532 WeakPolarHBondContact CE2-OG1 3.27Å; L528-T532 WeakPolarHBondContact O-CB 3.26Å; L528-T532 PolarHBondContact O-N 2.94Å; L528-T532 PolarHBondContact O-OG1 2.97Å; E529-T532 WeakPolarHBondContact O-CB 3.3Å; E529-T532 PolarHBondContact O-N 3.13Å; E529-T532 VanDerWaalsContact O-N 3.14Å; T532-R534 PolarHBondContact O-N 3.34Å; T532-L535 PolarHBondContact O-N 3.02Å; T532-L535 VanDerWaalsContact O-N 3.14Å; T532-V536 HydrophobicContact CG2-CG2 4.4Å; T532-V536 WeakPolarHBondContact O-CG2 3.47Å; T532-V536 PolarHBondContact O-N 2.71Å; T532-V546 HydrophobicContact CG2-CB 4.48Å; T532-V546 HydrophobicContact CG2-CG1 3.92Å; T532-V546 HydrophobicContact CG2-CG2 3.78Å
533	D	96.2	Very high	95.4	Very high	89 Å²	89	64.8 Å²	64.8	48%	0.476	34%	0.338	S	S	.	.	H	α-helix	trans	-54.9	-44.1	179.5	-70.3	-12.9	0	0	0	110.5	K525 E529 V536 Q537	K525-D533 IonicContact NZ-OD2 2.65Å; E529-D533 PolarHBondContact O-N 2.9Å; D533-V536 PolarHBondContact O-N 2.73Å; D533-Q537 WeakPolarHBondContact O-CB 3.49Å; D533-Q537 PolarHBondContact O-N 2.89Å
534	R	95.5	Very high	95.4	Very high	92 Å²	92	64.9 Å²	64.9	35%	0.347	34%	0.338	S	S	.	.	H	α-helix	trans	-61.6	-47.1	177.3	-177.8	173.4	176.5	-179.1	-7.5	112.9	E472 K530 Y531 T532 Q537 L538	E472-R534 VanDerWaalsContact CD-NH2 3.28Å; E472-R534 IonicContact OE1-CZ 2.71Å; E472-R534 IonicContact OE1-NE 2.77Å; E472-R534 IonicContact OE1-NH2 2.81Å; E472-R534 PolarHBondContact OE1-NH2 3.13Å; E472-R534 IonicContact OE2-CZ 2.7Å; E472-R534 IonicContact OE2-NH1 3.08Å; E472-R534 IonicContact OE2-NH2 3.52Å; E472-R534 PolarHBondContact OE2-NH2 3.45Å; K530-R534 PolarHBondContact O-N 3.31Å; Y531-R534 PolarHBondContact O-N 3.23Å; T532-R534 PolarHBondContact O-N 3.34Å; R534-Q537 PolarHBondContact O-N 3.24Å; R534-L538 HydrophobicContact CG-CD1 4.04Å; R534-L538 WeakPolarHBondContact O-CB 3.4Å; R534-L538 WeakPolarHBondContact O-CG 3.24Å; R534-L538 PolarHBondContact O-N 2.88Å
535	L	95.9	Very high	95.4	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-68.7	-34.3	-178.4	-69	-178.2	0	0	0	113.1	Q243 F247 Y531 T532 G539 I540 A541	Q243-L535 HydrophobicContact CB-CD2 3.94Å; F247-L535 HydrophobicContact CB-CD1 3.63Å; F247-L535 HydrophobicContact CD1-CD1 4.46Å; F247-L535 HydrophobicContact CD2-CD1 3.83Å; F247-L535 HydrophobicContact CG-CD1 3.72Å; Y531-L535 HydrophobicContact CD1-CD1 3.94Å; Y531-L535 HydrophobicContact CD1-CG 4.29Å; Y531-L535 HydrophobicContact CE1-CD1 3.63Å; Y531-L535 HydrophobicContact CE1-CD2 4.28Å; Y531-L535 HydrophobicContact CE1-CG 4.04Å; Y531-L535 WeakPolarHBondContact O-CG 3.5Å; Y531-L535 PolarHBondContact O-N 3.36Å; T532-L535 PolarHBondContact O-N 3.02Å; T532-L535 VanDerWaalsContact O-N 3.14Å; L535-G539 PolarHBondContact O-N 3.28Å; L535-I540 HydrophobicContact CD2-CB 4.18Å; L535-I540 HydrophobicContact CD2-CD1 3.8Å; L535-I540 HydrophobicContact CD2-CG2 4.19Å; L535-I540 PolarHBondContact O-N 2.8Å; L535-A541 HydrophobicContact CB-CB 4.05Å; L535-A541 PolarHBondContact O-N 2.74Å
536	V	95.7	Very high	95.4	Very high	55 Å²	55	62.5 Å²	62.5	33%	0.333	33%	0.328	S	S	.	.	H	α-helix	trans	-67.4	-45	174.1	175.2	0	0	0	0	110.2	T532 D533 L538 G539 A541	T532-V536 HydrophobicContact CG2-CG2 4.4Å; T532-V536 WeakPolarHBondContact O-CG2 3.47Å; T532-V536 PolarHBondContact O-N 2.71Å; D533-V536 PolarHBondContact O-N 2.73Å; V536-L538 VanDerWaalsContact C-N 3.29Å; V536-L538 PolarHBondContact O-N 3.01Å; V536-G539 PolarHBondContact O-N 3.17Å; V536-A541 WeakPolarHBondContact CA-O 3.25Å
537	Q	95.5	Very high	95.4	Very high	171 Å²	171	68.3 Å²	68.3	80%	0.799	35%	0.349	S	S	*	.	H	α-helix	trans	-61.4	-37.5	177.8	-172.4	179.7	9.9	0	0	112.7	D533 R534 G539	D533-Q537 WeakPolarHBondContact O-CB 3.49Å; D533-Q537 PolarHBondContact O-N 2.89Å; R534-Q537 PolarHBondContact O-N 3.24Å; Q537-G539 VanDerWaalsContact C-N 3.26Å; Q537-G539 PolarHBondContact O-N 2.86Å
538	L	94	Very high	95.4	Very high	99 Å²	99	72 Å²	72	52%	0.518	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-5.8	176.1	-69.2	174	0	0	0	113.6	R534 V536 I540	R534-L538 HydrophobicContact CG-CD1 4.04Å; R534-L538 WeakPolarHBondContact O-CB 3.4Å; R534-L538 WeakPolarHBondContact O-CG 3.24Å; R534-L538 PolarHBondContact O-N 2.88Å; V536-L538 VanDerWaalsContact C-N 3.29Å; V536-L538 PolarHBondContact O-N 3.01Å; L538-I540 HydrophobicContact CB-CD1 3.64Å; L538-I540 HydrophobicContact CB-CG1 4.05Å; L538-I540 HydrophobicContact CD1-CD1 3.85Å; L538-I540 HydrophobicContact CG-CD1 4.41Å; L538-I540 PolarHBondContact O-N 3.02Å
539	G	94.5	Very high	95.4	Very high	65 Å²	65	73.5 Å²	73.5	67%	0.67	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	15.6	-178.3	0	0	0	0	0	114.7	L535 V536 Q537	L535-G539 PolarHBondContact O-N 3.28Å; V536-G539 PolarHBondContact O-N 3.17Å; Q537-G539 VanDerWaalsContact C-N 3.26Å; Q537-G539 PolarHBondContact O-N 2.86Å
540	I	93.7	Very high	95.4	Very high	32 Å²	32	70.6 Å²	70.6	16%	0.164	37%	0.368	C	S	.	.	S	Bend	trans	-79.5	-32.1	179.8	-64	156.3	0	0	0	111	A240 K244 L535 L538	A240-I540 HydrophobicContact CB-CG1 4.48Å; A240-I540 HydrophobicContact CB-CG2 4.18Å; K244-I540 VanDerWaalsContact CE-O 3.32Å; K244-I540 WeakPolarHBondContact CE-O 3.42Å; K244-I540 HydrophobicContact CG-CG2 4.05Å; L535-I540 HydrophobicContact CD2-CB 4.18Å; L535-I540 HydrophobicContact CD2-CD1 3.8Å; L535-I540 HydrophobicContact CD2-CG2 4.19Å; L535-I540 PolarHBondContact O-N 2.8Å; L538-I540 HydrophobicContact CB-CD1 3.64Å; L538-I540 HydrophobicContact CB-CG1 4.05Å; L538-I540 HydrophobicContact CD1-CD1 3.85Å; L538-I540 HydrophobicContact CG-CD1 4.41Å; L538-I540 PolarHBondContact O-N 3.02Å
541	A	92.6	Very high	95.4	Very high	8 Å²	8	70.4 Å²	70.4	7%	0.066	37%	0.368	C	S	.	.	S	Bend	trans	-129.9	141.7	177.3	0	0	0	0	0	110.6	L535 V536 Y545 V546	L535-A541 HydrophobicContact CB-CB 4.05Å; L535-A541 PolarHBondContact O-N 2.74Å; V536-A541 WeakPolarHBondContact CA-O 3.25Å; A541-Y545 HydrophobicContact CB-CD1 3.78Å; A541-Y545 HydrophobicContact CB-CE1 4.38Å; A541-V546 HydrophobicContact CB-CG2 4.44Å
542	S	94.3	Very high	95.4	Very high	65 Å²	65	74.9 Å²	74.9	46%	0.455	39%	0.389	S	S	.	.			trans	-91.8	160.9	168.2	65	0	0	0	0	110.8	E544 Y545 V546	S542-E544 PolarHBondContact O-N 3.09Å; S542-Y545 WeakPolarHBondContact O-CB 3.02Å; S542-Y545 PolarHBondContact O-N 3.36Å; S542-Y545 VanDerWaalsContact O-N 3.09Å; S542-Y545 PolarHBondContact OG-N 3.26Å; S542-Y545 VanDerWaalsContact OG-N 3.15Å; S542-V546 WeakPolarHBondContact O-CG2 3.31Å; S542-V546 PolarHBondContact O-N 2.98Å; S542-V546 VanDerWaalsContact O-N 3.1Å
543	E	93.6	Very high	95.4	Very high	158 Å²	158	74.1 Å²	74.1	74%	0.738	38%	0.383	S	S	*	.	H	α-helix	trans	-56.7	-35.9	172.4	-66.6	-175.2	178.5	0	0	112.2	V546 K547	E543-V546 PolarHBondContact O-N 3.24Å; E543-K547 PolarHBondContact O-N 2.82Å
544	E	95.6	Very high	95.4	Very high	149 Å²	149	74.8 Å²	74.8	70%	0.696	38%	0.379	S	S	*	.	H	α-helix	trans	-64.7	-41.3	175.8	-174.6	176	-168	0	0	112.2	S542 K547 T548	S542-E544 PolarHBondContact O-N 3.09Å; E544-K547 PolarHBondContact O-N 3.46Å; E544-T548 WeakPolarHBondContact O-CB 3.36Å; E544-T548 PolarHBondContact O-N 3.01Å; E544-T548 PolarHBondContact O-OG1 3.46Å
545	Y	95.2	Very high	95.5	Very high	53 Å²	53	75.3 Å²	75.3	21%	0.208	39%	0.385	C	S	.	.	H	α-helix	trans	-61.3	-46.9	175.4	178.1	-98.6	0	0	0	111.7	F247 K248 A541 S542 K547 T548 E549	F247-Y545 AromaticContact CD1-CE1 3.92Å; F247-Y545 HydrophobicContact CD1-CE1 3.92Å; F247-Y545 HydrophobicContact CE1-CD1 4.25Å; F247-Y545 HydrophobicContact CE1-CE1 4.06Å; K248-Y545 WeakPolarHBondContact CE-OH 3.42Å; A541-Y545 HydrophobicContact CB-CD1 3.78Å; A541-Y545 HydrophobicContact CB-CE1 4.38Å; S542-Y545 WeakPolarHBondContact O-CB 3.02Å; S542-Y545 PolarHBondContact O-N 3.36Å; S542-Y545 VanDerWaalsContact O-N 3.09Å; S542-Y545 PolarHBondContact OG-N 3.26Å; S542-Y545 VanDerWaalsContact OG-N 3.15Å; Y545-K547 VanDerWaalsContact C-N 3.35Å; Y545-K547 PolarHBondContact O-N 3Å; Y545-T548 PolarHBondContact O-N 3.29Å; Y545-E549 HydrophobicContact CD1-CG 4.4Å; Y545-E549 HydrophobicContact CD2-CG 4.35Å; Y545-E549 HydrophobicContact CE1-CG 4.03Å; Y545-E549 HydrophobicContact CE2-CG 3.96Å; Y545-E549 WeakPolarHBondContact O-CG 3.42Å; Y545-E549 PolarHBondContact O-N 2.93Å
546	V	94.9	Very high	95.6	Very high	26 Å²	26	78.2 Å²	78.2	16%	0.158	40%	0.4	C	S	.	.	H	α-helix	trans	-56.7	-48.7	177.5	170	0	0	0	0	111	F247 T532 A541 S542 E543 T548 T550	F247-V546 HydrophobicContact CE1-CG2 4.11Å; F247-V546 HydrophobicContact CZ-CB 4.17Å; F247-V546 HydrophobicContact CZ-CG1 4.02Å; F247-V546 HydrophobicContact CZ-CG2 3.72Å; T532-V546 HydrophobicContact CG2-CB 4.48Å; T532-V546 HydrophobicContact CG2-CG1 3.92Å; T532-V546 HydrophobicContact CG2-CG2 3.78Å; A541-V546 HydrophobicContact CB-CG2 4.44Å; S542-V546 WeakPolarHBondContact O-CG2 3.31Å; S542-V546 PolarHBondContact O-N 2.98Å; S542-V546 VanDerWaalsContact O-N 3.1Å; E543-V546 PolarHBondContact O-N 3.24Å; V546-T548 VanDerWaalsContact C-N 3.34Å; V546-T548 PolarHBondContact O-N 3.03Å; V546-T550 WeakPolarHBondContact O-CB 3.46Å; V546-T550 PolarHBondContact O-N 3.22Å; V546-T550 VanDerWaalsContact O-N 3.13Å; V546-T550 PolarHBondContact O-OG1 3.24Å
547	K	95.9	Very high	95.7	Very high	160 Å²	160	75.7 Å²	75.7	70%	0.696	39%	0.385	S	S	*	.	H	α-helix	trans	-61.5	-43.4	178.9	-173.7	179.6	179.2	-177.5	0	111.6	E543 E544 Y545 T550 E551	E543-K547 PolarHBondContact O-N 2.82Å; E544-K547 PolarHBondContact O-N 3.46Å; Y545-K547 VanDerWaalsContact C-N 3.35Å; Y545-K547 PolarHBondContact O-N 3Å; K547-T550 PolarHBondContact O-N 2.98Å; K547-E551 VanDerWaalsContact O-CB 3.26Å; K547-E551 WeakPolarHBondContact O-CB 3.49Å; K547-E551 PolarHBondContact O-N 3.24Å
548	T	97.2	Very high	95.7	Very high	79 Å²	79	69.8 Å²	69.8	49%	0.485	36%	0.357	S	S	.	.	H	α-helix	trans	-64.5	-49.6	-177.3	-59.7	0	0	0	0	111.7	E544 Y545 V546 T550 E551 H552	E544-T548 WeakPolarHBondContact O-CB 3.36Å; E544-T548 PolarHBondContact O-N 3.01Å; E544-T548 PolarHBondContact O-OG1 3.46Å; Y545-T548 PolarHBondContact O-N 3.29Å; V546-T548 VanDerWaalsContact C-N 3.34Å; V546-T548 PolarHBondContact O-N 3.03Å; T548-T550 VanDerWaalsContact C-N 3.33Å; T548-T550 PolarHBondContact O-N 2.94Å; T548-E551 PolarHBondContact O-N 3.26Å; T548-H552 WeakPolarHBondContact O-CB 3.19Å; T548-H552 PolarHBondContact O-N 2.99Å
549	E	96.2	Very high	95.9	Very high	42 Å²	42	71 Å²	71	20%	0.196	36%	0.36	C	S	.	.	H	α-helix	trans	-66.4	-35.5	-179.8	-66.1	-69.6	157.3	0	0	112.2	K248 I251 Y545 Y553	K248-E549 VanDerWaalsContact CE-CD 3.49Å; K248-E549 WeakPolarHBondContact CE-OE1 3.37Å; K248-E549 VanDerWaalsContact CE-OE2 3.24Å; K248-E549 WeakPolarHBondContact CE-OE2 3.05Å; K248-E549 IonicContact NZ-OE1 3.77Å; K248-E549 PolarHBondContact NZ-OE1 3.24Å; K248-E549 IonicContact NZ-OE2 3.91Å; K248-E549 PolarHBondContact NZ-OE2 2.92Å; I251-E549 HydrophobicContact CD1-CB 3.73Å; Y545-E549 HydrophobicContact CD1-CG 4.4Å; Y545-E549 HydrophobicContact CD2-CG 4.35Å; Y545-E549 HydrophobicContact CE1-CG 4.03Å; Y545-E549 HydrophobicContact CE2-CG 3.96Å; Y545-E549 WeakPolarHBondContact O-CG 3.42Å; Y545-E549 PolarHBondContact O-N 2.93Å; E549-Y553 PolarHBondContact O-N 3Å
550	T	96.1	Very high	96	Very high	37 Å²	37	68.6 Å²	68.6	23%	0.227	33%	0.334	C	S	.	.	H	α-helix	trans	-65.9	-48.4	176	-58.1	0	0	0	0	111.4	K255 V546 K547 T548 H552 Y553 R554	K255-T550 HydrophobicContact CD-CG2 4.35Å; K255-T550 HydrophobicContact CG-CG2 4.22Å; V546-T550 WeakPolarHBondContact O-CB 3.46Å; V546-T550 PolarHBondContact O-N 3.22Å; V546-T550 VanDerWaalsContact O-N 3.13Å; V546-T550 PolarHBondContact O-OG1 3.24Å; K547-T550 PolarHBondContact O-N 2.98Å; T548-T550 VanDerWaalsContact C-N 3.33Å; T548-T550 PolarHBondContact O-N 2.94Å; T550-H552 VanDerWaalsContact C-N 3.34Å; T550-H552 PolarHBondContact O-N 2.95Å; T550-Y553 PolarHBondContact O-N 2.72Å; T550-R554 PolarHBondContact O-N 3.3Å; T550-R554 VanDerWaalsContact O-N 3.14Å
551	E	97	Very high	96.1	Very high	68 Å²	68	69.3 Å²	69.3	32%	0.318	34%	0.335	S	S	.	.	H	α-helix	trans	-65.5	-38.3	-179.8	178.7	54.6	-156.1	0	0	111.9	K547 T548 Y553 R554 Q555	K547-E551 VanDerWaalsContact O-CB 3.26Å; K547-E551 WeakPolarHBondContact O-CB 3.49Å; K547-E551 PolarHBondContact O-N 3.24Å; T548-E551 PolarHBondContact O-N 3.26Å; E551-Y553 PolarHBondContact O-N 2.76Å; E551-R554 WeakPolarHBondContact O-CB 3.44Å; E551-R554 PolarHBondContact O-N 3.2Å; E551-R554 IonicContact OE1-CZ 2.89Å; E551-R554 IonicContact OE1-NE 3.22Å; E551-R554 PolarHBondContact OE1-NE 2.79Å; E551-R554 IonicContact OE1-NH2 2.89Å; E551-R554 PolarHBondContact OE1-NH2 3.25Å; E551-R554 IonicContact OE2-CZ 3.66Å; E551-R554 IonicContact OE2-NE 2.81Å; E551-R554 PolarHBondContact OE2-NE 2.82Å; E551-R554 IonicContact OE2-NH2 3.85Å; E551-Q555 WeakPolarHBondContact O-CG 3.46Å; E551-Q555 PolarHBondContact O-N 3.33Å; E551-Q555 PolarHBondContact OE1-NE2 2.96Å
552	H	97.2	Very high	96.3	Very high	99 Å²	99	74 Å²	74	46%	0.458	36%	0.355	S	S	.	.	H	α-helix	trans	-57.2	-47.3	176.1	-179.1	92.7	0	0	0	112.1	T548 T550 Q555 I556	T548-H552 WeakPolarHBondContact O-CB 3.19Å; T548-H552 PolarHBondContact O-N 2.99Å; T550-H552 VanDerWaalsContact C-N 3.34Å; T550-H552 PolarHBondContact O-N 2.95Å; H552-Q555 PolarHBondContact O-N 3.24Å; H552-I556 PolarHBondContact O-N 2.9Å
553	Y	96.4	Very high	96.4	Very high	8 Å²	8	73.5 Å²	73.5	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-70.6	-34	178.9	-172	-119.9	0	0	0	112.5	R252 K255 F256 N312 E549 T550 E551 Q555 I556 M557	R252-Y553 HydrophobicContact CB-CD1 4.43Å; R252-Y553 HydrophobicContact CB-CE1 4.08Å; R252-Y553 HydrophobicContact CB-CE2 4.32Å; R252-Y553 HydrophobicContact CG-CD1 4.18Å; R252-Y553 HydrophobicContact CG-CD2 3.81Å; R252-Y553 HydrophobicContact CG-CE1 4.18Å; R252-Y553 HydrophobicContact CG-CE2 3.81Å; R252-Y553 HydrophobicContact CG-CG 3.99Å; R252-Y553 WeakPolarHBondContact O-CE1 3.47Å; K255-Y553 HydrophobicContact CB-CD1 4.05Å; K255-Y553 HydrophobicContact CB-CE1 4.43Å; F256-Y553 HydrophobicContact CB-CE1 4.22Å; N312-Y553 PolarHBondContact ND2-OH 2.87Å; N312-Y553 VanDerWaalsContact ND2-OH 3.16Å; N312-Y553 PolarHBondContact OD1-OH 2.75Å; E549-Y553 PolarHBondContact O-N 3Å; T550-Y553 PolarHBondContact O-N 2.72Å; E551-Y553 PolarHBondContact O-N 2.76Å; Y553-Q555 VanDerWaalsContact C-N 3.3Å; Y553-Q555 PolarHBondContact O-N 2.82Å; Y553-I556 HydrophobicContact CD2-CD1 4.49Å; Y553-I556 PolarHBondContact O-N 2.79Å; Y553-M557 HydrophobicContact CD1-CE 3.63Å; Y553-M557 HydrophobicContact CD1-SD 4.03Å; Y553-M557 HydrophobicContact CE1-CE 3.7Å; Y553-M557 HydrophobicContact CE1-CG 4.13Å; Y553-M557 HydrophobicContact CE1-SD 3.47Å; Y553-M557 WeakPolarHBondContact CE1-SD 3.46Å; Y553-M557 HydrophobicContact CE2-CG 4.44Å; Y553-M557 HydrophobicContact CG-CE 4.46Å; Y553-M557 PolarHBondContact O-N 2.8Å; Y553-M557 VanDerWaalsContact O-N 3.13Å
554	R	96.8	Very high	96.4	Very high	103 Å²	103	66 Å²	66	39%	0.389	31%	0.313	S	S	.	.	H	α-helix	trans	-57.4	-44	173.2	-169.2	-165.5	69.9	74.3	-2.9	111.5	T550 E551 M557 E558	T550-R554 PolarHBondContact O-N 3.3Å; T550-R554 VanDerWaalsContact O-N 3.14Å; E551-R554 WeakPolarHBondContact O-CB 3.44Å; E551-R554 PolarHBondContact O-N 3.2Å; E551-R554 IonicContact OE1-CZ 2.89Å; E551-R554 IonicContact OE1-NE 3.22Å; E551-R554 PolarHBondContact OE1-NE 2.79Å; E551-R554 IonicContact OE1-NH2 2.89Å; E551-R554 PolarHBondContact OE1-NH2 3.25Å; E551-R554 IonicContact OE2-CZ 3.66Å; E551-R554 IonicContact OE2-NE 2.81Å; E551-R554 PolarHBondContact OE2-NE 2.82Å; E551-R554 IonicContact OE2-NH2 3.85Å; R554-M557 PolarHBondContact O-N 2.99Å; R554-E558 PolarHBondContact O-N 2.87Å
555	Q	97.5	Very high	96.3	Very high	103 Å²	103	63.1 Å²	63.1	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-43.9	178.8	-70.9	171.6	5.4	0	0	112	E551 H552 Y553 M557 E558 E559	E551-Q555 WeakPolarHBondContact O-CG 3.46Å; E551-Q555 PolarHBondContact O-N 3.33Å; E551-Q555 PolarHBondContact OE1-NE2 2.96Å; H552-Q555 PolarHBondContact O-N 3.24Å; Y553-Q555 VanDerWaalsContact C-N 3.3Å; Y553-Q555 PolarHBondContact O-N 2.82Å; Q555-M557 VanDerWaalsContact C-N 3.3Å; Q555-M557 PolarHBondContact O-N 2.79Å; Q555-E558 PolarHBondContact O-N 3.34Å; Q555-E559 WeakPolarHBondContact O-CB 3.18Å; Q555-E559 PolarHBondContact O-N 3.43Å
556	I	97	Very high	96.2	Very high	62 Å²	62	67 Å²	67	32%	0.318	32%	0.317	S	S	.	.	H	α-helix	trans	-57.4	-43.6	175.7	-66.8	170.2	0	0	0	111.3	L318 H552 Y553 A560	L318-I556 HydrophobicContact CD1-CG2 3.84Å; H552-I556 PolarHBondContact O-N 2.9Å; Y553-I556 HydrophobicContact CD2-CD1 4.49Å; Y553-I556 PolarHBondContact O-N 2.79Å; I556-A560 WeakPolarHBondContact O-CB 3.41Å; I556-A560 PolarHBondContact O-N 3.28Å; I556-A560 VanDerWaalsContact O-N 3.11Å
557	M	97.6	Very high	96.1	Very high	3 Å²	3	68.7 Å²	68.7	2%	0.015	32%	0.324	C	S	.	.	H	α-helix	trans	-70.5	-39.3	179	-67.7	-173.4	-65.5	0	0	112.6	K255 F256 F259 L318 F322 Y553 R554 Q555 A560 Y561	K255-M557 HydrophobicContact CB-CE 4.17Å; K255-M557 WeakPolarHBondContact O-CE 3.27Å; F256-M557 HydrophobicContact CB-SD 4.37Å; F256-M557 HydrophobicContact CD2-SD 4.1Å; F259-M557 HydrophobicContact CB-CE 3.8Å; F259-M557 HydrophobicContact CB-SD 3.72Å; F259-M557 HydrophobicContact CD1-CB 4.15Å; F259-M557 HydrophobicContact CD1-SD 4.31Å; F259-M557 HydrophobicContact CD2-CB 3.93Å; F259-M557 HydrophobicContact CD2-CE 4.09Å; F259-M557 HydrophobicContact CD2-SD 4.39Å; F259-M557 HydrophobicContact CE1-CB 4.09Å; F259-M557 HydrophobicContact CE2-CB 3.87Å; F259-M557 HydrophobicContact CG-CB 4.07Å; F259-M557 HydrophobicContact CG-CE 4.08Å; F259-M557 HydrophobicContact CG-SD 3.9Å; F259-M557 HydrophobicContact CZ-CB 3.95Å; F259-M557 WeakPolarHBondContact CZ-O 3.37Å; L318-M557 HydrophobicContact CD1-CG 4.21Å; F322-M557 HydrophobicContact CZ-CB 4.48Å; Y553-M557 HydrophobicContact CD1-CE 3.63Å; Y553-M557 HydrophobicContact CD1-SD 4.03Å; Y553-M557 HydrophobicContact CE1-CE 3.7Å; Y553-M557 HydrophobicContact CE1-CG 4.13Å; Y553-M557 HydrophobicContact CE1-SD 3.47Å; Y553-M557 WeakPolarHBondContact CE1-SD 3.46Å; Y553-M557 HydrophobicContact CE2-CG 4.44Å; Y553-M557 HydrophobicContact CG-CE 4.46Å; Y553-M557 PolarHBondContact O-N 2.8Å; Y553-M557 VanDerWaalsContact O-N 3.13Å; R554-M557 PolarHBondContact O-N 2.99Å; Q555-M557 VanDerWaalsContact C-N 3.3Å; Q555-M557 PolarHBondContact O-N 2.79Å; M557-A560 PolarHBondContact O-N 3.13Å; M557-Y561 VanDerWaalsContact O-CB 3.3Å; M557-Y561 WeakPolarHBondContact O-CB 3.39Å; M557-Y561 PolarHBondContact O-N 2.89Å
558	E	97.4	Very high	95.9	Very high	47 Å²	47	67.7 Å²	67.7	22%	0.22	33%	0.325	C	S	.	.	H	α-helix	trans	-64.5	-44.4	178	-161	69.9	-137.5	0	0	111.2	K263 R554 Q555 Y561 E562	K263-E558 IonicContact NZ-OE1 2.8Å; K263-E558 PolarHBondContact NZ-OE1 3.02Å; K263-E558 IonicContact NZ-OE2 2.91Å; R554-E558 PolarHBondContact O-N 2.87Å; Q555-E558 PolarHBondContact O-N 3.34Å; E558-Y561 WeakPolarHBondContact O-CB 3.49Å; E558-Y561 PolarHBondContact O-N 3.38Å; E558-E562 WeakPolarHBondContact O-CG 3.49Å; E558-E562 PolarHBondContact O-N 3.27Å
559	E	97.1	Very high	95.5	Very high	124 Å²	124	68.7 Å²	68.7	58%	0.579	32%	0.32	S	S	*	.	H	α-helix	trans	-61.1	-46.9	175.7	-176.9	-175.2	172.3	0	0	111.5	Q555 Y561 E562 N563	Q555-E559 WeakPolarHBondContact O-CB 3.18Å; Q555-E559 PolarHBondContact O-N 3.43Å; E559-Y561 VanDerWaalsContact C-N 3.29Å; E559-Y561 PolarHBondContact O-N 2.77Å; E559-E562 PolarHBondContact O-N 3.03Å; E559-N563 PolarHBondContact O-N 3.43Å; E559-N563 PolarHBondContact O-ND2 2.74Å
560	A	96.5	Very high	95.1	Very high	14 Å²	14	68.1 Å²	68.1	12%	0.116	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-37	177.1	0	0	0	0	0	112.2	L318 F322 I556 M557 N563 A564	L318-A560 HydrophobicContact CB-CB 3.47Å; L318-A560 VanDerWaalsContact CB-CB 3.47Å; L318-A560 HydrophobicContact CD1-CB 4.1Å; L318-A560 HydrophobicContact CG-CB 4.46Å; F322-A560 HydrophobicContact CD2-CB 3.99Å; F322-A560 HydrophobicContact CE2-CB 3.83Å; I556-A560 WeakPolarHBondContact O-CB 3.41Å; I556-A560 PolarHBondContact O-N 3.28Å; I556-A560 VanDerWaalsContact O-N 3.11Å; M557-A560 PolarHBondContact O-N 3.13Å; A560-N563 PolarHBondContact O-N 2.66Å; A560-A564 WeakPolarHBondContact O-CB 3.36Å; A560-A564 PolarHBondContact O-N 3.21Å
561	Y	96.8	Very high	94.7	Very high	48 Å²	48	71.4 Å²	71.4	19%	0.188	33%	0.327	C	S	.	.	H	α-helix	trans	-64	-49.9	175.2	172	-95.3	0	0	0	111.4	F259 K263 W264 M557 E558 E559 N563 A564 Q565	F259-Y561 HydrophobicContact CE1-CD2 4.44Å; F259-Y561 HydrophobicContact CE1-CG 4.46Å; F259-Y561 HydrophobicContact CZ-CG 4.17Å; K263-Y561 HydrophobicContact CB-CE2 4.19Å; K263-Y561 HydrophobicContact CD-CD1 4.4Å; K263-Y561 HydrophobicContact CD-CD2 4.12Å; K263-Y561 HydrophobicContact CD-CE1 4.15Å; K263-Y561 HydrophobicContact CD-CE2 3.83Å; K263-Y561 HydrophobicContact CD-CG 4.4Å; K263-Y561 HydrophobicContact CG-CD2 4.18Å; K263-Y561 HydrophobicContact CG-CE2 4.13Å; W264-Y561 AromaticContact CH2-CD2 3.64Å; W264-Y561 HydrophobicContact CH2-CD2 3.64Å; W264-Y561 AromaticContact CH2-CE2 3.96Å; W264-Y561 HydrophobicContact CH2-CE2 3.96Å; W264-Y561 AromaticContact CZ2-CD2 3.8Å; W264-Y561 HydrophobicContact CZ2-CD2 3.8Å; W264-Y561 AromaticContact CZ2-CE2 3.66Å; W264-Y561 HydrophobicContact CZ2-CE2 3.66Å; W264-Y561 HydrophobicContact CZ3-CD2 4.5Å; M557-Y561 VanDerWaalsContact O-CB 3.3Å; M557-Y561 WeakPolarHBondContact O-CB 3.39Å; M557-Y561 PolarHBondContact O-N 2.89Å; E558-Y561 WeakPolarHBondContact O-CB 3.49Å; E558-Y561 PolarHBondContact O-N 3.38Å; E559-Y561 VanDerWaalsContact C-N 3.29Å; E559-Y561 PolarHBondContact O-N 2.77Å; Y561-N563 PolarHBondContact O-N 2.95Å; Y561-A564 WeakPolarHBondContact O-CB 3.5Å; Y561-A564 PolarHBondContact O-N 3.24Å; Y561-A564 VanDerWaalsContact O-N 3.07Å; Y561-Q565 HydrophobicContact CD1-CG 4.41Å; Y561-Q565 HydrophobicContact CE1-CG 3.96Å; Y561-Q565 HydrophobicContact CE2-CG 4.32Å; Y561-Q565 WeakPolarHBondContact O-CG 3.5Å; Y561-Q565 PolarHBondContact O-N 2.69Å
562	E	96.7	Very high	94.2	Very high	105 Å²	105	68.7 Å²	68.7	49%	0.491	32%	0.315	S	S	.	.	H	α-helix	trans	-57.9	-37.4	177.3	-73.7	-179.3	-175	0	0	112.2	E558 E559 K566	E558-E562 WeakPolarHBondContact O-CG 3.49Å; E558-E562 PolarHBondContact O-N 3.27Å; E559-E562 PolarHBondContact O-N 3.03Å; E562-K566 WeakPolarHBondContact O-CE 3.43Å; E562-K566 WeakPolarHBondContact O-CG 3.2Å
563	N	95.2	Very high	93.7	Very high	55 Å²	55	70.8 Å²	70.8	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-71.5	-38	175.5	-68.5	-28.9	0	0	0	112.2	L319 E559 A560 Y561 Q565 K566	L319-N563 HydrophobicContact CD1-CB 3.83Å; E559-N563 PolarHBondContact O-N 3.43Å; E559-N563 PolarHBondContact O-ND2 2.74Å; A560-N563 PolarHBondContact O-N 2.66Å; Y561-N563 PolarHBondContact O-N 2.95Å; N563-Q565 VanDerWaalsContact C-N 3.25Å; N563-Q565 PolarHBondContact O-N 2.91Å; N563-K566 WeakPolarHBondContact O-CB 3.29Å; N563-K566 PolarHBondContact O-N 3.26Å; N563-K566 PolarHBondContact OD1-NZ 3.36Å
564	A	94	Very high	93.3	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.1	-30.2	175.8	0	0	0	0	0	113	L319 F322 N326 A560 Y561 K566 E567	L319-A564 HydrophobicContact CD1-CB 3.92Å; F322-A564 HydrophobicContact CB-CB 3.6Å; N326-A564 PolarHBondContact ND2-O 3.45Å; A560-A564 WeakPolarHBondContact O-CB 3.36Å; A560-A564 PolarHBondContact O-N 3.21Å; Y561-A564 WeakPolarHBondContact O-CB 3.5Å; Y561-A564 PolarHBondContact O-N 3.24Å; Y561-A564 VanDerWaalsContact O-N 3.07Å; A564-K566 PolarHBondContact O-N 2.68Å; A564-E567 PolarHBondContact O-N 3.29Å
565	Q	93.5	Very high	92.9	Very high	90 Å²	90	69.3 Å²	69.3	42%	0.421	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.7	173.3	-62.1	-52	-65.6	0	0	113.4	N326 Y561 N563	N326-Q565 PolarHBondContact ND2-NE2 2.92Å; N326-Q565 PolarHBondContact OD1-NE2 3.38Å; Y561-Q565 HydrophobicContact CD1-CG 4.41Å; Y561-Q565 HydrophobicContact CE1-CG 3.96Å; Y561-Q565 HydrophobicContact CE2-CG 4.32Å; Y561-Q565 WeakPolarHBondContact O-CG 3.5Å; Y561-Q565 PolarHBondContact O-N 2.69Å; N563-Q565 VanDerWaalsContact C-N 3.25Å; N563-Q565 PolarHBondContact O-N 2.91Å
566	K	94.3	Very high	92.6	Very high	135 Å²	135	65.8 Å²	65.8	59%	0.587	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-11.6	177.1	-58.3	166.7	-165	160.5	0	112.6	E562 N563 A564	E562-K566 WeakPolarHBondContact O-CE 3.43Å; E562-K566 WeakPolarHBondContact O-CG 3.2Å; N563-K566 WeakPolarHBondContact O-CB 3.29Å; N563-K566 PolarHBondContact O-N 3.26Å; N563-K566 PolarHBondContact OD1-NZ 3.36Å; A564-K566 PolarHBondContact O-N 2.68Å
567	E	91.9	Very high	92	Very high	61 Å²	61	63.1 Å²	63.1	29%	0.285	29%	0.288	S	S	.	.			trans	-70.1	136.7	177.2	-72.9	-61	154.3	0	0	110.7	L319 S323 L328 A564	L319-E567 HydrophobicContact CD1-CG 3.89Å; L319-E567 HydrophobicContact CG-CG 4.38Å; S323-E567 WeakPolarHBondContact OG-CG 3.46Å; L328-E567 HydrophobicContact CD1-CB 4.13Å; L328-E567 VanDerWaalsContact CD2-O 3.29Å; L328-E567 WeakPolarHBondContact CD2-O 3.17Å; A564-E567 PolarHBondContact O-N 3.29Å
568	L	91	Very high	91.4	Very high	138 Å²	138	63.2 Å²	63.2	72%	0.723	29%	0.29	S	S	*	.			trans	-105.1	-19.9	-179.3	-63	177.5	0	0	0	112.4
569	Y	88.9	Confident	90.7	Very high	100 Å²	100	64.2 Å²	64.2	39%	0.392	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.8	-175.2	55.7	-95.7	0	0	0	111.4	E329 A331 R571	E329-Y569 CarbonylContact O-C 3.58Å; E329-Y569 WeakPolarHBondContact O-CA 3.48Å; E329-Y569 WeakPolarHBondContact O-CB 3.28Å; A331-Y569 HydrophobicContact CB-CD2 3.71Å; A331-Y569 HydrophobicContact CB-CG 3.99Å; Y569-R571 HydrophobicContact CD2-CG 4.25Å; Y569-R571 HydrophobicContact CE2-CG 4.4Å; Y569-R571 PolarHBondContact OH-NH2 3.4Å
570	I	88.1	Confident	90.4	Very high	30 Å²	30	59.2 Å²	59.2	15%	0.154	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	152	168.3	56.5	171.1	0	0	0	110.1	L328 E329 A331	L328-I570 HydrophobicContact CB-CG2 3.98Å; L328-I570 HydrophobicContact CD1-CG2 3.78Å; L328-I570 HydrophobicContact CG-CG2 4.46Å; E329-I570 PolarHBondContact O-N 2.86Å; A331-I570 PolarHBondContact N-O 2.98Å
571	R	87.7	Confident	89.8	Confident	106 Å²	106	63 Å²	63	40%	0.4	29%	0.294	S	S	.	.			trans	-118.2	118.4	173.9	-67.1	177.9	-174.9	173.3	6.8	108.9	A331 D332 Y569 R573 D574	A331-R571 HydrophobicContact CB-CG 4.02Å; D332-R571 WeakPolarHBondContact OD1-CA 3.43Å; Y569-R571 HydrophobicContact CD2-CG 4.25Å; Y569-R571 HydrophobicContact CE2-CG 4.4Å; Y569-R571 PolarHBondContact OH-NH2 3.4Å; R571-R573 HydrophobicContact CB-CG 4.26Å; R571-R573 PolarHBondContact O-N 3.43Å; R571-D574 PolarHBondContact O-N 3.25Å
572	N	87.3	Confident	89.2	Confident	12 Å²	12	66 Å²	66	6%	0.064	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-65	-32	177.5	-70.4	-31.3	0	0	0	110.8	D332 E333 G334 D574 W575 I757	D332-N572 WeakPolarHBondContact OD1-CB 3.37Å; D332-N572 PolarHBondContact OD1-N 2.84Å; E333-N572 PolarHBondContact O-ND2 2.86Å; G334-N572 PolarHBondContact O-ND2 2.83Å; N572-D574 PolarHBondContact O-N 2.97Å; N572-D574 VanDerWaalsContact O-N 3.17Å; N572-W575 PolarHBondContact O-N 3.13Å; N572-W575 VanDerWaalsContact O-N 3.17Å; N572-I757 HydrophobicContact CB-CD1 3.27Å; N572-I757 HydrophobicContact CB-CG1 4.02Å
573	R	86.4	Confident	88.9	Confident	142 Å²	142	61.4 Å²	61.4	54%	0.536	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-63.1	-21.5	179.8	74	-176.7	65.9	-171	-3.5	114.3	D332 R571 W575 L576 I757	D332-R573 WeakPolarHBondContact OD2-CB 3.47Å; D332-R573 VanDerWaalsContact OD2-CG 3.32Å; D332-R573 WeakPolarHBondContact OD2-CG 3.5Å; D332-R573 IonicContact OD2-CZ 3.56Å; D332-R573 PolarHBondContact OD2-N 3.06Å; D332-R573 VanDerWaalsContact OD2-N 3.11Å; D332-R573 IonicContact OD2-NE 3.68Å; D332-R573 PolarHBondContact OD2-NE 2.92Å; D332-R573 IonicContact OD2-NH2 3.51Å; R571-R573 HydrophobicContact CB-CG 4.26Å; R571-R573 PolarHBondContact O-N 3.43Å; R573-W575 PolarHBondContact O-N 3.01Å; R573-W575 VanDerWaalsContact O-N 3.13Å; R573-L576 HydrophobicContact CB-CD1 4.05Å; R573-L576 WeakPolarHBondContact O-CB 3.24Å; R573-L576 WeakPolarHBondContact O-CG 3.41Å; R573-L576 PolarHBondContact O-N 3.03Å; R573-I757 HydrophobicContact CB-CD1 4.25Å
574	D	86.8	Confident	88.5	Confident	68 Å²	68	62.7 Å²	62.7	36%	0.364	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-67.7	-10.6	179.5	-65.9	-5.7	0	0	0	112	R571 N572	R571-D574 PolarHBondContact O-N 3.25Å; N572-D574 PolarHBondContact O-N 2.97Å; N572-D574 VanDerWaalsContact O-N 3.17Å
575	W	90.2	Very high	88.1	Confident	13 Å²	13	70.3 Å²	70.3	5%	0.049	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-108.2	16.9	-178.9	-53.9	102.5	0	0	0	113.4	L310 Q316 I321 Q324 L342 G343 N572 R573 D577	L310-W575 HydrophobicContact CD1-CZ3 4.24Å; Q316-W575 HydrophobicContact CG-CH2 3.95Å; Q316-W575 HydrophobicContact CG-CZ3 3.75Å; Q316-W575 VanDerWaalsContact NE2-CZ3 3.3Å; I321-W575 HydrophobicContact CG1-CH2 4.01Å; Q324-W575 HydrophobicContact CG-CH2 4.39Å; Q324-W575 HydrophobicContact CG-CZ2 3.66Å; L342-W575 HydrophobicContact CB-CB 4.07Å; L342-W575 HydrophobicContact CB-CD2 3.87Å; L342-W575 HydrophobicContact CB-CE3 3.78Å; L342-W575 HydrophobicContact CB-CG 3.99Å; L342-W575 HydrophobicContact CD1-CD2 3.64Å; L342-W575 HydrophobicContact CD1-CE3 4.12Å; L342-W575 HydrophobicContact CD1-CG 3.88Å; L342-W575 HydrophobicContact CD1-CZ2 4.13Å; L342-W575 HydrophobicContact CD2-CB 4.37Å; L342-W575 HydrophobicContact CD2-CG 4.29Å; L342-W575 HydrophobicContact CG-CD2 4.29Å; L342-W575 HydrophobicContact CG-CG 4.27Å; G343-W575 CarbonylContact C-O 3.58Å; G343-W575 WeakPolarHBondContact CA-O 3.29Å; G343-W575 CarbonylContact O-C 3.58Å; G343-W575 WeakPolarHBondContact O-CA 3.5Å; G343-W575 WeakPolarHBondContact O-CB 3.33Å; N572-W575 PolarHBondContact O-N 3.13Å; N572-W575 VanDerWaalsContact O-N 3.17Å; R573-W575 PolarHBondContact O-N 3.01Å; R573-W575 VanDerWaalsContact O-N 3.13Å; W575-D577 PolarHBondContact O-N 3.38Å
576	L	89.7	Confident	87.7	Confident	29 Å²	29	74 Å²	74	15%	0.152	34%	0.343	C	S	.	.			trans	-74.8	121.3	175.9	-74.4	171.7	0	0	0	111	C345 R573 W756 I757 R758	C345-L576 WeakPolarHBondContact CB-O 3.4Å; C345-L576 PolarHBondContact N-O 2.99Å; R573-L576 HydrophobicContact CB-CD1 4.05Å; R573-L576 WeakPolarHBondContact O-CB 3.24Å; R573-L576 WeakPolarHBondContact O-CG 3.41Å; R573-L576 PolarHBondContact O-N 3.03Å; L576-W756 VanDerWaalsContact CD2-O 3.31Å; L576-W756 WeakPolarHBondContact CD2-O 3.32Å; L576-I757 HydrophobicContact CD2-CB 4.12Å; L576-R758 VanDerWaalsContact CA-NH2 3.32Å; L576-R758 VanDerWaalsContact CB-NH2 3.3Å
577	D	85.2	Confident	87.4	Confident	5 Å²	5	72.1 Å²	72.1	3%	0.027	33%	0.332	C	S	.	.	S	Bend	trans	-76	-17.8	174.8	70.2	-46.5	0	0	0	115.3	C345 S360 V361 K378 W575 R758	C345-D577 WeakPolarHBondContact CB-O 3.48Å; S360-D577 PolarHBondContact OG-O 3.35Å; V361-D577 WeakPolarHBondContact O-CB 3.28Å; K378-D577 VanDerWaalsContact NZ-CG 3.26Å; K378-D577 PolarHBondContact NZ-O 3.43Å; K378-D577 IonicContact NZ-OD2 3.72Å; K378-D577 PolarHBondContact NZ-OD2 2.95Å; W575-D577 PolarHBondContact O-N 3.38Å; D577-R758 IonicContact OD1-CZ 2.86Å; D577-R758 IonicContact OD1-NE 3.39Å; D577-R758 PolarHBondContact OD1-NE 2.96Å; D577-R758 IonicContact OD1-NH2 3.25Å; D577-R758 PolarHBondContact OD1-NH2 2.86Å
578	S	84.9	Confident	87.3	Confident	6 Å²	6	73.3 Å²	73.3	4%	0.042	34%	0.34	C	S	.	.	S	Bend	trans	-140.5	81.3	174.7	-63.4	0	0	0	0	110.5	K378 W580 S721 R758	K378-S578 WeakPolarHBondContact CE-OG 3.15Å; K378-S578 PolarHBondContact NZ-OG 2.97Å; S578-W580 PolarHBondContact O-N 3.49Å; S578-S721 WeakPolarHBondContact CB-O 3.45Å; S578-S721 PolarHBondContact OG-O 3.08Å; S578-R758 PolarHBondContact O-NH1 3.08Å
579	P	83.5	Confident	87.1	Confident	67 Å²	67	69.2 Å²	69.2	44%	0.435	32%	0.322	S	S	.	.			trans	-66.4	135	179.1	26.2	-32.4	0	0	0	111.3
580	W	89.9	Confident	87.2	Confident	19 Å²	19	67.8 Å²	67.8	7%	0.072	32%	0.321	C	S	.	.			trans	-114.6	40.1	-179.4	-63.9	-18.6	0	0	0	111.7	S578 D582 F583 F584 S721 T722 P724 Q759 R837	S578-W580 PolarHBondContact O-N 3.49Å; W580-D582 VanDerWaalsContact C-N 3.29Å; W580-D582 PolarHBondContact O-N 3.1Å; W580-F583 HydrophobicContact CB-CB 4.02Å; W580-F583 VanDerWaalsContact O-CB 3.31Å; W580-F583 WeakPolarHBondContact O-CB 3.39Å; W580-F583 PolarHBondContact O-N 2.88Å; W580-F584 HydrophobicContact CB-CD2 4.19Å; W580-F584 HydrophobicContact CB-CE2 3.82Å; W580-F584 HydrophobicContact CE3-CE2 4.28Å; W580-F584 AromaticContact CE3-CZ 3.97Å; W580-F584 HydrophobicContact CE3-CZ 3.97Å; W580-F584 WeakPolarHBondContact O-CD2 3.46Å; W580-F584 PolarHBondContact O-N 2.92Å; W580-S721 VanDerWaalsContact CZ2-O 3.22Å; W580-S721 WeakPolarHBondContact CZ2-O 3.32Å; W580-S721 PolarHBondContact NE1-O 3Å; W580-T722 PolarHBondContact NE1-O 3.27Å; W580-P724 HydrophobicContact CB-CG 4.39Å; W580-P724 HydrophobicContact CD2-CB 3.71Å; W580-P724 HydrophobicContact CD2-CG 3.78Å; W580-P724 HydrophobicContact CE3-CB 3.62Å; W580-P724 HydrophobicContact CE3-CG 4.17Å; W580-P724 HydrophobicContact CG-CB 4.36Å; W580-P724 HydrophobicContact CG-CG 3.91Å; W580-P724 HydrophobicContact CH2-CB 3.93Å; W580-P724 HydrophobicContact CZ2-CB 4Å; W580-P724 HydrophobicContact CZ2-CG 4.49Å; W580-P724 HydrophobicContact CZ3-CB 3.74Å; W580-Q759 WeakPolarHBondContact CH2-O 3.32Å; W580-Q759 HydrophobicContact CZ3-CB 3.87Å; W580-R837 HydrophobicContact CH2-CB 4.44Å; W580-R837 HydrophobicContact CH2-CG 4.2Å; W580-R837 HydrophobicContact CZ3-CB 4.06Å; W580-R837 HydrophobicContact CZ3-CG 3.83Å
581	D	83.5	Confident	87.2	Confident	93 Å²	93	74.1 Å²	74.1	50%	0.497	34%	0.343	S	S	.	.	H	α-helix	trans	-52.6	-44.8	-171.4	-70	-10.5	0	0	0	113.3	F583 F584 K585	D581-F583 VanDerWaalsContact C-N 3.27Å; D581-F583 PolarHBondContact O-N 2.8Å; D581-F584 PolarHBondContact O-N 3.12Å; D581-K585 WeakPolarHBondContact O-CB 3.47Å; D581-K585 VanDerWaalsContact O-CG 3.27Å; D581-K585 WeakPolarHBondContact O-CG 3.34Å; D581-K585 PolarHBondContact O-N 3.45Å; D581-K585 VanDerWaalsContact O-N 3.13Å
582	D	85.4	Confident	87.4	Confident	113 Å²	113	71.8 Å²	71.8	60%	0.604	34%	0.338	S	S	*	.	H	α-helix	trans	-67.5	-27.6	179.8	-76.6	-15.3	0	0	0	113.3	W580	W580-D582 VanDerWaalsContact C-N 3.29Å; W580-D582 PolarHBondContact O-N 3.1Å
583	F	90.1	Very high	87.6	Confident	8 Å²	8	74.7 Å²	74.7	4%	0.035	35%	0.353	C	S	.	.	H	α-helix	trans	-70.5	-45	179.5	175.1	-93.7	0	0	0	110.9	W580 D581 R587 P724 S835	W580-F583 HydrophobicContact CB-CB 4.02Å; W580-F583 VanDerWaalsContact O-CB 3.31Å; W580-F583 WeakPolarHBondContact O-CB 3.39Å; W580-F583 PolarHBondContact O-N 2.88Å; D581-F583 VanDerWaalsContact C-N 3.27Å; D581-F583 PolarHBondContact O-N 2.8Å; F583-R587 VanDerWaalsContact CE2-CZ 3.46Å; F583-R587 PolarHBondContact O-NH1 3.38Å; F583-P724 HydrophobicContact CB-CB 4.46Å; F583-P724 HydrophobicContact CB-CG 3.83Å; F583-P724 HydrophobicContact CD1-CB 4.13Å; F583-P724 HydrophobicContact CD1-CG 4.4Å; F583-P724 HydrophobicContact CD2-CB 3.61Å; F583-P724 HydrophobicContact CD2-CG 3.54Å; F583-P724 HydrophobicContact CE1-CB 4.33Å; F583-P724 HydrophobicContact CE2-CB 3.86Å; F583-P724 HydrophobicContact CE2-CG 4.28Å; F583-P724 HydrophobicContact CG-CB 3.79Å; F583-P724 HydrophobicContact CG-CG 3.65Å; F583-P724 HydrophobicContact CZ-CB 4.23Å; F583-S835 VanDerWaalsContact CE1-O 3.22Å; F583-S835 WeakPolarHBondContact CE1-O 3.35Å
584	F	86.5	Confident	88	Confident	82 Å²	82	71.8 Å²	71.8	36%	0.36	35%	0.348	S	S	.	.	H	α-helix	trans	-77.5	-41.6	-177.2	-63.1	-60.8	0	0	0	113.1	W580 D581 K586 R587 F836	W580-F584 HydrophobicContact CB-CD2 4.19Å; W580-F584 HydrophobicContact CB-CE2 3.82Å; W580-F584 HydrophobicContact CE3-CE2 4.28Å; W580-F584 AromaticContact CE3-CZ 3.97Å; W580-F584 HydrophobicContact CE3-CZ 3.97Å; W580-F584 WeakPolarHBondContact O-CD2 3.46Å; W580-F584 PolarHBondContact O-N 2.92Å; D581-F584 PolarHBondContact O-N 3.12Å; F584-K586 PolarHBondContact O-N 3.15Å; F584-R587 PolarHBondContact O-N 2.92Å; F584-F836 HydrophobicContact CE1-CB 4.48Å
585	K	86.3	Confident	88.5	Confident	160 Å²	160	68.6 Å²	68.6	70%	0.696	33%	0.331	S	S	*	.	H	α-helix	trans	-58.2	-23.1	-175.5	-76.4	171.5	-174.9	168	0	114.7	D581	D581-K585 WeakPolarHBondContact O-CB 3.47Å; D581-K585 VanDerWaalsContact O-CG 3.27Å; D581-K585 WeakPolarHBondContact O-CG 3.34Å; D581-K585 PolarHBondContact O-N 3.45Å; D581-K585 VanDerWaalsContact O-N 3.13Å
586	K	83.5	Confident	88.9	Confident	167 Å²	167	68.7 Å²	68.7	73%	0.726	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	2	-172.5	-63.7	177.1	-176.6	170.8	0	113.7	F584	F584-K586 PolarHBondContact O-N 3.15Å
587	R	88.2	Confident	89.3	Confident	95 Å²	95	67.9 Å²	67.9	36%	0.358	33%	0.332	S	S	.	.			trans	-135	143.3	-167.5	-62.5	-172.6	173.3	88	-11.4	112.3	F583 F584 N725	F583-R587 VanDerWaalsContact CE2-CZ 3.46Å; F583-R587 PolarHBondContact O-NH1 3.38Å; F584-R587 PolarHBondContact O-N 2.92Å; R587-N725 PolarHBondContact NH2-OD1 3.36Å; R587-N725 VanDerWaalsContact NH2-OD1 3.1Å
588	D	89.3	Confident	89.9	Confident	86 Å²	86	69.7 Å²	69.7	46%	0.46	35%	0.345	S	S	.	.			trans	-92.9	118.5	177	178.6	-0.3	0	0	0	109.8	L590 R591 S835	D588-L590 PolarHBondContact O-N 3.45Å; D588-L590 PolarHBondContact OD1-N 2.79Å; D588-R591 HydrophobicContact CB-CB 4.15Å; D588-R591 PolarHBondContact O-N 3.42Å; D588-S835 VanDerWaalsContact O-CB 3.31Å; D588-S835 WeakPolarHBondContact O-CB 3.38Å; D588-S835 PolarHBondContact O-OG 3.11Å
589	P	88.4	Confident	90.5	Very high	53 Å²	53	72.9 Å²	72.9	34%	0.344	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.6	179.6	27.7	-34.5	0	0	0	113.8	Y809 F836	P589-Y809 HydrophobicContact CB-CD2 3.94Å; P589-Y809 HydrophobicContact CB-CE2 4.18Å; P589-F836 HydrophobicContact CB-CD1 4.31Å
590	L	89.5	Confident	91.1	Very high	70 Å²	70	76.2 Å²	76.2	37%	0.366	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.9	-177	-60.5	-179.3	0	0	0	113.5	D588 T802 A805	D588-L590 PolarHBondContact O-N 3.45Å; D588-L590 PolarHBondContact OD1-N 2.79Å; L590-T802 HydrophobicContact CB-CG2 4.14Å; L590-T802 HydrophobicContact CD1-CG2 4.35Å; L590-A805 VanDerWaalsContact O-CB 3.3Å; L590-A805 WeakPolarHBondContact O-CB 3.39Å
591	R	89.8	Confident	91.5	Very high	163 Å²	163	75.7 Å²	75.7	62%	0.615	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-102	118	-179	-174.5	176.7	177.1	-175.9	-2.4	111.4	D588 L593	D588-R591 HydrophobicContact CB-CB 4.15Å; D588-R591 PolarHBondContact O-N 3.42Å; R591-L593 HydrophobicContact CG-CD2 4.25Å
592	I	90.6	Very high	92.2	Very high	57 Å²	57	71.3 Å²	71.3	29%	0.292	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-98.3	129.9	169.9	-58.8	175	0	0	0	108.8	E804 A805 L808	I592-E804 HydrophobicContact CD1-CB 3.83Å; I592-E804 HydrophobicContact CD1-CG 3.45Å; I592-E804 VanDerWaalsContact CD1-CG 3.45Å; I592-A805 HydrophobicContact CD1-CB 4Å; I592-A805 HydrophobicContact CG1-CB 3.96Å; I592-L808 HydrophobicContact CD1-CD1 3.9Å
593	L	92.7	Very high	92.8	Very high	72 Å²	72	69 Å²	69	38%	0.377	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-94	147	177.3	-60.2	177.5	0	0	0	110.8	R591	R591-L593 HydrophobicContact CG-CD2 4.25Å
594	N	94.6	Very high	93.1	Very high	81 Å²	81	71.8 Å²	71.8	43%	0.433	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-60.8	140.7	168.4	-68	-20.3	0	0	0	109.4	D864	N594-D864 WeakPolarHBondContact ND2-CA 3.33Å; N594-D864 PolarHBondContact ND2-OD1 3.33Å
595	S	97.4	Very high	93.7	Very high	2 Å²	2	67.9 Å²	67.9	1%	0.014	33%	0.328	C	S	.	.			trans	-106.5	6.9	-177.2	53.9	0	0	0	0	112.9	F825 H826 R829 T865	S595-F825 WeakPolarHBondContact O-CE1 3.34Å; S595-H826 WeakPolarHBondContact OG-CB 3.4Å; S595-H826 PolarHBondContact OG-ND1 3.46Å; S595-R829 WeakPolarHBondContact O-CD 3.27Å; S595-R829 PolarHBondContact O-NE 3.1Å; S595-T865 PolarHBondContact N-O 2.91Å
596	G	97.9	Very high	94.2	Very high	14 Å²	14	60.2 Å²	60.2	14%	0.144	30%	0.295	C	S	.	.			trans	-65.1	160.7	172	0	0	0	0	0	113.6	Y861 N863 T865	G596-Y861 CarbonylContact C-O 3.58Å; G596-Y861 WeakPolarHBondContact CA-O 3.22Å; G596-N863 VanDerWaalsContact CA-O 3.29Å; G596-N863 WeakPolarHBondContact CA-O 3.47Å; G596-T865 WeakPolarHBondContact CA-OG1 3.49Å; G596-T865 PolarHBondContact N-O 2.88Å
597	V	98	Very high	94.8	Very high	12 Å²	12	58 Å²	58	7%	0.073	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-129.1	175.2	179.9	-63.2	0	0	0	0	110.9	L602 F825 R829 Y861 I862 N863	V597-L602 HydrophobicContact CG2-CD1 4.42Å; V597-L602 HydrophobicContact CG2-CD2 3.46Å; V597-L602 VanDerWaalsContact CG2-CD2 3.46Å; V597-L602 HydrophobicContact CG2-CG 3.81Å; V597-F825 HydrophobicContact CG1-CZ 3.97Å; V597-F825 HydrophobicContact CG2-CZ 3.9Å; V597-R829 VanDerWaalsContact CG1-CZ 3.49Å; V597-Y861 PolarHBondContact N-O 3.41Å; V597-I862 CarbonylContact O-C 3.54Å; V597-I862 WeakPolarHBondContact O-CA 3.07Å; V597-N863 PolarHBondContact O-N 3.16Å
598	S	97.6	Very high	95.2	Very high	44 Å²	44	55 Å²	55	31%	0.308	28%	0.278	S	S	.	.			trans	-73.4	147.2	173.6	69.3	0	0	0	0	111.6	E600 T601 L602	S598-E600 PolarHBondContact O-N 3.34Å; S598-T601 VanDerWaalsContact O-CB 3.29Å; S598-T601 WeakPolarHBondContact O-CB 3.39Å; S598-T601 PolarHBondContact O-N 3.42Å; S598-T601 PolarHBondContact OG-N 3.4Å; S598-T601 PolarHBondContact OG-OG1 3.33Å; S598-L602 PolarHBondContact O-N 3.49Å
599	E	97.3	Very high	95.6	Very high	72 Å²	72	50.9 Å²	50.9	34%	0.336	26%	0.256	S	S	.	.	H	α-helix	trans	-58	-36.4	175	-167.7	-179.4	179.9	0	0	111.7	T601 L602 L603 R636 F858 I862	E599-T601 VanDerWaalsContact C-N 3.27Å; E599-T601 PolarHBondContact O-N 3.39Å; E599-L602 WeakPolarHBondContact O-CB 3.48Å; E599-L602 PolarHBondContact O-N 3.02Å; E599-L602 VanDerWaalsContact O-N 3.12Å; E599-L603 HydrophobicContact CG-CD1 4.29Å; E599-L603 WeakPolarHBondContact O-CG 3.5Å; E599-L603 PolarHBondContact O-N 3.23Å; E599-R636 IonicContact OE1-NE 2.68Å; E599-R636 PolarHBondContact OE1-NE 3.34Å; E599-F858 HydrophobicContact CG-CD2 4.05Å; E599-I862 HydrophobicContact CB-CG2 4.11Å
600	E	97.4	Very high	96	Very high	138 Å²	138	48.7 Å²	48.7	65%	0.645	24%	0.242	S	C	*	.	H	α-helix	trans	-56.2	-41.3	174	-173.5	-168.4	172.4	0	0	112.1	S598 L602 L603 H604	S598-E600 PolarHBondContact O-N 3.34Å; E600-L602 VanDerWaalsContact C-N 3.34Å; E600-L602 PolarHBondContact O-N 3.13Å; E600-L603 PolarHBondContact O-N 3.3Å; E600-H604 WeakPolarHBondContact O-CB 3.45Å; E600-H604 PolarHBondContact O-N 3.41Å
601	T	97.3	Very high	96.2	Very high	8 Å²	8	50.1 Å²	50.1	5%	0.049	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-43.8	177.1	-57.2	0	0	0	0	110.8	S598 E599 H604 I605 R653 W694	S598-T601 VanDerWaalsContact O-CB 3.29Å; S598-T601 WeakPolarHBondContact O-CB 3.39Å; S598-T601 PolarHBondContact O-N 3.42Å; S598-T601 PolarHBondContact OG-N 3.4Å; S598-T601 PolarHBondContact OG-OG1 3.33Å; E599-T601 VanDerWaalsContact C-N 3.27Å; E599-T601 PolarHBondContact O-N 3.39Å; T601-H604 PolarHBondContact O-N 3.36Å; T601-I605 HydrophobicContact CG2-CD1 3.68Å; T601-I605 HydrophobicContact CG2-CG1 4.43Å; T601-I605 WeakPolarHBondContact O-CD1 3.49Å; T601-I605 WeakPolarHBondContact O-CG1 3.26Å; T601-I605 PolarHBondContact O-N 2.7Å; T601-R653 PolarHBondContact OG1-NH1 3.1Å; T601-W694 HydrophobicContact CG2-CH2 4.09Å
602	L	98	Very high	96.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-45.9	179.1	-57.8	175.9	0	0	0	111.7	V597 S598 E599 E600 H604 G606 F646 F858 Y861 I862	V597-L602 HydrophobicContact CG2-CD1 4.42Å; V597-L602 HydrophobicContact CG2-CD2 3.46Å; V597-L602 VanDerWaalsContact CG2-CD2 3.46Å; V597-L602 HydrophobicContact CG2-CG 3.81Å; S598-L602 PolarHBondContact O-N 3.49Å; E599-L602 WeakPolarHBondContact O-CB 3.48Å; E599-L602 PolarHBondContact O-N 3.02Å; E599-L602 VanDerWaalsContact O-N 3.12Å; E600-L602 VanDerWaalsContact C-N 3.34Å; E600-L602 PolarHBondContact O-N 3.13Å; L602-H604 VanDerWaalsContact C-N 3.34Å; L602-H604 PolarHBondContact O-N 3.3Å; L602-G606 PolarHBondContact O-N 3.14Å; L602-F646 HydrophobicContact CB-CE1 4.42Å; L602-F646 HydrophobicContact CB-CZ 4.43Å; L602-F646 HydrophobicContact CD2-CB 3.86Å; L602-F646 HydrophobicContact CD2-CD1 4.12Å; L602-F646 HydrophobicContact CD2-CD2 3.81Å; L602-F646 HydrophobicContact CD2-CE2 4.34Å; L602-F646 HydrophobicContact CD2-CG 3.69Å; L602-F646 WeakPolarHBondContact O-CE1 3.25Å; L602-F858 HydrophobicContact CB-CD2 4.18Å; L602-F858 HydrophobicContact CB-CE2 3.85Å; L602-F858 HydrophobicContact CB-CZ 4.29Å; L602-F858 HydrophobicContact CD1-CB 4.43Å; L602-F858 HydrophobicContact CD1-CD2 4.13Å; L602-F858 HydrophobicContact CD1-CG 4.22Å; L602-Y861 HydrophobicContact CD1-CG 4.23Å; L602-I862 HydrophobicContact CD1-CG2 3.77Å
603	L	98	Very high	96.4	Very high	66 Å²	66	43.2 Å²	43.2	35%	0.346	23%	0.226	S	C	.	.	H	α-helix	trans	-60.4	-44.2	177.9	-72.6	169.7	0	0	0	111.4	E599 E600 K607 I633 F858	E599-L603 HydrophobicContact CG-CD1 4.29Å; E599-L603 WeakPolarHBondContact O-CG 3.5Å; E599-L603 PolarHBondContact O-N 3.23Å; E600-L603 PolarHBondContact O-N 3.3Å; L603-K607 VanDerWaalsContact O-CB 3.3Å; L603-K607 WeakPolarHBondContact O-CB 2.91Å; L603-K607 PolarHBondContact O-N 3.1Å; L603-I633 HydrophobicContact CD2-CG2 3.92Å; L603-F858 HydrophobicContact CD2-CE2 3.85Å; L603-F858 HydrophobicContact CG-CE2 4.12Å
604	H	97.6	Very high	96.3	Very high	65 Å²	65	45 Å²	45	30%	0.301	24%	0.243	S	C	.	.	H	α-helix	trans	-65.1	-51.1	179.5	-173.2	77.7	0	0	0	112.2	E600 T601 L602 G606 K607 C608 L693 W694	E600-H604 WeakPolarHBondContact O-CB 3.45Å; E600-H604 PolarHBondContact O-N 3.41Å; T601-H604 PolarHBondContact O-N 3.36Å; L602-H604 VanDerWaalsContact C-N 3.34Å; L602-H604 PolarHBondContact O-N 3.3Å; H604-G606 VanDerWaalsContact C-N 3.33Å; H604-G606 PolarHBondContact O-N 2.89Å; H604-K607 PolarHBondContact O-N 3.36Å; H604-C608 PolarHBondContact O-N 3.37Å; H604-L693 PolarHBondContact NE2-O 2.78Å; H604-W694 HydrophobicContact CB-CZ2 4.11Å; H604-W694 AromaticContact CD2-CE2 3.35Å; H604-W694 AromaticContact CD2-CH2 3.72Å; H604-W694 AromaticContact CD2-CZ2 3.15Å; H604-W694 WeakPolarHBondContact CD2-CZ2 3.45Å; H604-W694 AromaticContact CD2-NE1 3.71Å; H604-W694 AromaticContact CG-CZ2 3.83Å; H604-W694 AromaticContact NE2-CE2 3.69Å; H604-W694 AromaticContact NE2-CZ2 3.98Å; H604-W694 AromaticContact NE2-NE1 3.7Å
605	I	98.2	Very high	96.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.2	-49.3	177.2	-64.8	164.8	0	0	0	110	T601 K607 C608 F609 A645 F646 L690 L693 W694	T601-I605 HydrophobicContact CG2-CD1 3.68Å; T601-I605 HydrophobicContact CG2-CG1 4.43Å; T601-I605 WeakPolarHBondContact O-CD1 3.49Å; T601-I605 WeakPolarHBondContact O-CG1 3.26Å; T601-I605 PolarHBondContact O-N 2.7Å; I605-K607 VanDerWaalsContact C-N 3.31Å; I605-K607 PolarHBondContact O-N 2.72Å; I605-C608 PolarHBondContact O-N 3.15Å; I605-F609 WeakPolarHBondContact O-CB 3.17Å; I605-F609 PolarHBondContact O-N 3.25Å; I605-A645 HydrophobicContact CG2-CB 4.5Å; I605-A645 WeakPolarHBondContact CG2-O 3.1Å; I605-F646 HydrophobicContact CB-CD1 4.14Å; I605-F646 HydrophobicContact CG2-CD1 3.93Å; I605-L690 HydrophobicContact CG2-CD2 4.45Å; I605-L693 HydrophobicContact CG1-CD1 4.29Å; I605-W694 HydrophobicContact CD1-CH2 4.12Å; I605-W694 HydrophobicContact CG1-CH2 3.62Å; I605-W694 HydrophobicContact CG1-CZ3 4.06Å
606	G	97.5	Very high	96.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.2	-42.5	-179	0	0	0	0	0	112.8	L602 H604 S610	L602-G606 PolarHBondContact O-N 3.14Å; H604-G606 VanDerWaalsContact C-N 3.33Å; H604-G606 PolarHBondContact O-N 2.89Å; G606-S610 VanDerWaalsContact O-CB 3.26Å; G606-S610 WeakPolarHBondContact O-CB 3.39Å; G606-S610 PolarHBondContact O-N 3.35Å; G606-S610 VanDerWaalsContact O-N 3.16Å; G606-S610 PolarHBondContact O-OG 2.85Å
607	K	96.6	Very high	96	Very high	120 Å²	120	50.3 Å²	50.3	52%	0.522	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-56.5	176.4	-176.1	-177	176.1	-174	0	111.5	L603 H604 I605 F609 S610 E611	L603-K607 VanDerWaalsContact O-CB 3.3Å; L603-K607 WeakPolarHBondContact O-CB 2.91Å; L603-K607 PolarHBondContact O-N 3.1Å; H604-K607 PolarHBondContact O-N 3.36Å; I605-K607 VanDerWaalsContact C-N 3.31Å; I605-K607 PolarHBondContact O-N 2.72Å; K607-F609 PolarHBondContact O-N 2.84Å; K607-S610 PolarHBondContact O-N 2.94Å; K607-E611 PolarHBondContact O-N 3.19Å
608	C	96.2	Very high	95.9	Very high	31 Å²	31	50.6 Å²	50.6	21%	0.209	27%	0.271	C	S	.	.	H	α-helix	trans	-59	-36.7	-179.1	-69.4	0	0	0	0	112.3	H604 I605 S610 L693	H604-C608 PolarHBondContact O-N 3.37Å; I605-C608 PolarHBondContact O-N 3.15Å; C608-S610 VanDerWaalsContact C-N 3.27Å; C608-S610 PolarHBondContact O-N 3.14Å; C608-L693 HydrophobicContact CB-CD2 3.58Å
609	F	96.9	Very high	95.9	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-75.6	-14.6	178.7	-169.4	-115.6	0	0	0	114.1	I605 K607 R629 L642 A645 R673 H675 P689 L690	I605-F609 WeakPolarHBondContact O-CB 3.17Å; I605-F609 PolarHBondContact O-N 3.25Å; K607-F609 PolarHBondContact O-N 2.84Å; F609-R629 VanDerWaalsContact CZ-NH1 3.34Å; F609-L642 HydrophobicContact CD1-CD2 3.94Å; F609-A645 HydrophobicContact CD1-CB 3.74Å; F609-A645 HydrophobicContact CD2-CB 4.26Å; F609-A645 HydrophobicContact CE1-CB 3.67Å; F609-A645 HydrophobicContact CE2-CB 4.25Å; F609-A645 HydrophobicContact CG-CB 4.01Å; F609-A645 HydrophobicContact CZ-CB 3.95Å; F609-R673 WeakPolarHBondContact CZ-O 3.26Å; F609-H675 AromaticContact CE2-CD2 3.38Å; F609-H675 WeakPolarHBondContact CE2-CD2 3.44Å; F609-H675 AromaticContact CE2-NE2 3.81Å; F609-H675 AromaticContact CZ-CD2 3.42Å; F609-H675 VanDerWaalsContact CZ-CD2 3.42Å; F609-H675 WeakPolarHBondContact CZ-CD2 3.49Å; F609-H675 AromaticContact CZ-NE2 3.6Å; F609-P689 HydrophobicContact CD2-CB 4.11Å; F609-P689 HydrophobicContact CD2-CG 4.44Å; F609-L690 HydrophobicContact CD2-CD2 4.18Å; F609-L690 HydrophobicContact CD2-CG 4.23Å; F609-L690 HydrophobicContact CE2-CG 4.36Å
610	S	96.5	Very high	95.8	Very high	6 Å²	6	54.4 Å²	54.4	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-101.3	-3.1	179.7	-56.3	0	0	0	0	113.4	G606 K607 C608 L626 R629 A630	G606-S610 VanDerWaalsContact O-CB 3.26Å; G606-S610 WeakPolarHBondContact O-CB 3.39Å; G606-S610 PolarHBondContact O-N 3.35Å; G606-S610 VanDerWaalsContact O-N 3.16Å; G606-S610 PolarHBondContact O-OG 2.85Å; K607-S610 PolarHBondContact O-N 2.94Å; C608-S610 VanDerWaalsContact C-N 3.27Å; C608-S610 PolarHBondContact O-N 3.14Å; S610-L626 WeakPolarHBondContact O-CB 3.49Å; S610-R629 WeakPolarHBondContact OG-CB 3.43Å; S610-A630 PolarHBondContact OG-N 2.77Å
611	E	93.6	Very high	95.6	Very high	101 Å²	101	49.9 Å²	49.9	47%	0.472	28%	0.282	S	S	.	.	S	Bend	trans	-122.7	131.9	-175.8	-70.4	175.9	178.8	0	0	110.5	K607	K607-E611 PolarHBondContact O-N 3.19Å
612	P	93	Very high	95.5	Very high	46 Å²	46	50.5 Å²	50.5	30%	0.299	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-75.8	159.7	170.1	34.3	-33.4	0	0	0	110.6	V618 L626 L677	P612-V618 HydrophobicContact CB-CG2 3.41Å; P612-V618 VanDerWaalsContact CB-CG2 3.41Å; P612-V618 HydrophobicContact CG-CG2 3.86Å; P612-L626 HydrophobicContact CB-CD1 4.44Å; P612-L626 HydrophobicContact CG-CD1 4.41Å; P612-L677 HydrophobicContact CB-CD1 4.31Å
613	P	92.5	Very high	95.4	Very high	28 Å²	28	54.1 Å²	54.1	18%	0.182	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-70	159.7	176.5	29.8	-31.6	0	0	0	110.7	F616 F687	P613-F616 HydrophobicContact CG-CB 3.74Å; P613-F616 HydrophobicContact CG-CD2 3.77Å; P613-F616 HydrophobicContact CG-CG 3.85Å; P613-F616 WeakPolarHBondContact O-CB 3.45Å; P613-F687 HydrophobicContact CB-CD2 4.13Å; P613-F687 HydrophobicContact CB-CE1 4.42Å; P613-F687 HydrophobicContact CB-CE2 3.96Å; P613-F687 HydrophobicContact CB-CG 4.43Å; P613-F687 HydrophobicContact CB-CZ 4.11Å; P613-F687 VanDerWaalsContact CD-CD1 3.47Å; P613-F687 HydrophobicContact CG-CB 4.01Å; P613-F687 HydrophobicContact CG-CD1 3.81Å; P613-F687 HydrophobicContact CG-CD2 3.67Å; P613-F687 HydrophobicContact CG-CE1 4.09Å; P613-F687 HydrophobicContact CG-CE2 3.98Å; P613-F687 HydrophobicContact CG-CG 3.55Å; P613-F687 HydrophobicContact CG-CZ 4.17Å
614	P	91	Very high	95.3	Very high	111 Å²	111	60 Å²	60	72%	0.721	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	148.6	172.3	-22.9	32.9	0	0	0	111.8	F616	P614-F616 VanDerWaalsContact C-N 3.26Å; P614-F616 PolarHBondContact O-N 3.3Å
615	D	91.1	Very high	95.2	Very high	150 Å²	150	59.4 Å²	59.4	80%	0.802	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	35.2	177.6	-55.8	-38.3	0	0	0	114.7	R685	D615-R685 PolarHBondContact O-NH1 3.3Å; D615-R685 PolarHBondContact O-NH2 2.8Å
616	F	95.8	Very high	95.1	Very high	23 Å²	23	59.6 Å²	59.6	10%	0.101	32%	0.324	C	S	.	.			trans	-115.9	122.1	179.3	-162.3	-84.2	0	0	0	111.3	P613 P614 V618 L677 D679 R685 F687	P613-F616 HydrophobicContact CG-CB 3.74Å; P613-F616 HydrophobicContact CG-CD2 3.77Å; P613-F616 HydrophobicContact CG-CG 3.85Å; P613-F616 WeakPolarHBondContact O-CB 3.45Å; P614-F616 VanDerWaalsContact C-N 3.26Å; P614-F616 PolarHBondContact O-N 3.3Å; F616-V618 HydrophobicContact CD1-CG2 3.76Å; F616-V618 HydrophobicContact CE1-CG2 4.39Å; F616-V618 PolarHBondContact O-N 3.23Å; F616-V618 VanDerWaalsContact O-N 3.16Å; F616-L677 HydrophobicContact CE1-CB 3.86Å; F616-L677 HydrophobicContact CZ-CB 4.07Å; F616-L677 WeakPolarHBondContact CZ-O 3.32Å; F616-D679 HydrophobicContact CD2-CB 4.38Å; F616-D679 HydrophobicContact CE1-CB 4.18Å; F616-D679 HydrophobicContact CE2-CB 3.95Å; F616-D679 HydrophobicContact CZ-CB 3.84Å; F616-R685 HydrophobicContact CE2-CG 4.14Å; F616-F687 HydrophobicContact CD2-CB 4.32Å; F616-F687 HydrophobicContact CE2-CB 3.76Å; F616-F687 HydrophobicContact CZ-CB 4.05Å
617	S	96.5	Very high	95.1	Very high	34 Å²	34	67.4 Å²	67.4	24%	0.238	35%	0.353	C	S	.	.			trans	-82.5	97.2	-179.1	-59.8	0	0	0	0	110.3	D679 Q680 K681	S617-D679 WeakPolarHBondContact CB-OD1 3.36Å; S617-D679 PolarHBondContact N-OD2 2.92Å; S617-Q680 WeakPolarHBondContact O-CB 3.06Å; S617-Q680 VanDerWaalsContact O-CG 3.29Å; S617-Q680 WeakPolarHBondContact O-CG 3.3Å; S617-Q680 PolarHBondContact O-N 3.37Å; S617-K681 WeakPolarHBondContact OG-CD 3.48Å
618	V	95.8	Very high	95.1	Very high	19 Å²	19	64.3 Å²	64.3	12%	0.115	34%	0.344	C	S	.	.			trans	-85.5	145.1	179.4	-174.4	0	0	0	0	111.4	P612 F616 L622 L623 L626	P612-V618 HydrophobicContact CB-CG2 3.41Å; P612-V618 VanDerWaalsContact CB-CG2 3.41Å; P612-V618 HydrophobicContact CG-CG2 3.86Å; F616-V618 HydrophobicContact CD1-CG2 3.76Å; F616-V618 HydrophobicContact CE1-CG2 4.39Å; F616-V618 PolarHBondContact O-N 3.23Å; F616-V618 VanDerWaalsContact O-N 3.16Å; V618-L622 HydrophobicContact CG1-CB 3.86Å; V618-L622 HydrophobicContact CG1-CD2 4.03Å; V618-L622 HydrophobicContact CG1-CG 3.96Å; V618-L623 HydrophobicContact CB-CD2 3.84Å; V618-L623 HydrophobicContact CB-CG 4.09Å; V618-L623 HydrophobicContact CG1-CD2 4.02Å; V618-L623 HydrophobicContact CG1-CG 4.07Å; V618-L623 HydrophobicContact CG2-CD2 4.31Å; V618-L626 HydrophobicContact CG1-CD1 4.37Å
619	H	96.6	Very high	95.1	Very high	97 Å²	97	63 Å²	63	45%	0.449	34%	0.335	S	S	.	.			trans	-58.8	135	172.3	-174.7	-92.7	0	0	0	111.7	G621 L622 L623 Q680	H619-G621 VanDerWaalsContact C-N 3.29Å; H619-G621 PolarHBondContact ND1-N 3.23Å; H619-G621 VanDerWaalsContact ND1-N 3.12Å; H619-G621 PolarHBondContact O-N 3.46Å; H619-L622 HydrophobicContact CB-CB 4.27Å; H619-L622 WeakPolarHBondContact O-CA 3.42Å; H619-L622 WeakPolarHBondContact O-CB 3.43Å; H619-L622 PolarHBondContact O-N 3.29Å; H619-L623 PolarHBondContact O-N 2.67Å; H619-L623 VanDerWaalsContact O-N 3.14Å; H619-Q680 HydrophobicContact CB-CG 4.07Å
620	P	94.9	Very high	95.1	Very high	98 Å²	98	64.3 Å²	64.3	64%	0.636	35%	0.346	S	S	*	.	H	α-helix	trans	-56.2	-38.4	-176.2	-27.9	35	0	0	0	114.6	L622 L623	P620-L622 VanDerWaalsContact C-N 3.27Å; P620-L622 PolarHBondContact O-N 3.26Å; P620-L623 PolarHBondContact O-N 3.2Å
621	G	94.8	Very high	95.2	Very high	43 Å²	43	68.4 Å²	68.4	44%	0.443	36%	0.364	S	S	.	.	H	α-helix	trans	-63.7	-32.4	175.6	0	0	0	0	0	113.2	H619 R624	H619-G621 VanDerWaalsContact C-N 3.29Å; H619-G621 PolarHBondContact ND1-N 3.23Å; H619-G621 VanDerWaalsContact ND1-N 3.12Å; H619-G621 PolarHBondContact O-N 3.46Å; G621-R624 WeakPolarHBondContact O-CB 3.12Å; G621-R624 PolarHBondContact O-N 2.78Å
622	L	95.2	Very high	95.3	Very high	21 Å²	21	63.9 Å²	63.9	11%	0.11	34%	0.343	C	S	.	.	H	α-helix	trans	-78.4	-32.5	-179.8	-173	54.5	0	0	0	111.6	V618 H619 P620 R624 V625 L626 H674 L677	V618-L622 HydrophobicContact CG1-CB 3.86Å; V618-L622 HydrophobicContact CG1-CD2 4.03Å; V618-L622 HydrophobicContact CG1-CG 3.96Å; H619-L622 HydrophobicContact CB-CB 4.27Å; H619-L622 WeakPolarHBondContact O-CA 3.42Å; H619-L622 WeakPolarHBondContact O-CB 3.43Å; H619-L622 PolarHBondContact O-N 3.29Å; P620-L622 VanDerWaalsContact C-N 3.27Å; P620-L622 PolarHBondContact O-N 3.26Å; L622-R624 PolarHBondContact O-N 3.25Å; L622-V625 HydrophobicContact CD1-CB 4.16Å; L622-V625 HydrophobicContact CD1-CG1 4.48Å; L622-V625 WeakPolarHBondContact O-CB 3.21Å; L622-V625 PolarHBondContact O-N 2.98Å; L622-L626 WeakPolarHBondContact O-CG 3.04Å; L622-L626 PolarHBondContact O-N 3.14Å; L622-H674 HydrophobicContact CD1-CB 3.93Å; L622-H674 VanDerWaalsContact CD1-CG 3.48Å; L622-L677 HydrophobicContact CD2-CD2 3.62Å; L622-L677 HydrophobicContact CG-CD2 4.37Å
623	L	95.5	Very high	95.5	Very high	77 Å²	77	62.3 Å²	62.3	40%	0.403	33%	0.333	S	S	.	.	H	α-helix	trans	-56.2	-34.9	170.4	-70.3	174.5	0	0	0	112.2	V618 H619 P620 R627	V618-L623 HydrophobicContact CB-CD2 3.84Å; V618-L623 HydrophobicContact CB-CG 4.09Å; V618-L623 HydrophobicContact CG1-CD2 4.02Å; V618-L623 HydrophobicContact CG1-CG 4.07Å; V618-L623 HydrophobicContact CG2-CD2 4.31Å; H619-L623 PolarHBondContact O-N 2.67Å; H619-L623 VanDerWaalsContact O-N 3.14Å; P620-L623 PolarHBondContact O-N 3.2Å; L623-R627 WeakPolarHBondContact O-CB 3.45Å; L623-R627 PolarHBondContact O-N 2.66Å
624	R	95.4	Very high	95.7	Very high	190 Å²	190	67.8 Å²	67.8	72%	0.717	36%	0.356	S	S	*	.	H	α-helix	trans	-66.6	-44.4	174.7	-171.5	177.3	-178.6	179.6	0.5	111.7	G621 L622 R627 T628	G621-R624 WeakPolarHBondContact O-CB 3.12Å; G621-R624 PolarHBondContact O-N 2.78Å; L622-R624 PolarHBondContact O-N 3.25Å; R624-R627 PolarHBondContact O-N 3.46Å; R624-T628 PolarHBondContact O-N 2.64Å; R624-T628 PolarHBondContact O-OG1 3.34Å
625	V	95.8	Very high	96	Very high	51 Å²	51	68 Å²	68	31%	0.309	35%	0.351	S	S	.	.	H	α-helix	trans	-61.1	-46.5	177.2	176.2	0	0	0	0	110.8	L622 R627 T628 R629	L622-V625 HydrophobicContact CD1-CB 4.16Å; L622-V625 HydrophobicContact CD1-CG1 4.48Å; L622-V625 WeakPolarHBondContact O-CB 3.21Å; L622-V625 PolarHBondContact O-N 2.98Å; V625-R627 PolarHBondContact O-N 3.43Å; V625-T628 PolarHBondContact O-N 2.96Å; V625-R629 WeakPolarHBondContact O-CG 2.9Å; V625-R629 PolarHBondContact O-N 3.02Å
626	L	96.7	Very high	96.3	Very high	5 Å²	5	67.4 Å²	67.4	3%	0.026	34%	0.337	C	S	.	.	H	α-helix	trans	-59.9	-43.3	177.5	-69.9	-177.5	0	0	0	112	S610 P612 V618 L622 R629 A630	S610-L626 WeakPolarHBondContact O-CB 3.49Å; P612-L626 HydrophobicContact CB-CD1 4.44Å; P612-L626 HydrophobicContact CG-CD1 4.41Å; V618-L626 HydrophobicContact CG1-CD1 4.37Å; L622-L626 WeakPolarHBondContact O-CG 3.04Å; L622-L626 PolarHBondContact O-N 3.14Å; L626-R629 WeakPolarHBondContact O-CB 3.45Å; L626-R629 PolarHBondContact O-N 3.37Å; L626-A630 PolarHBondContact O-N 3.25Å
627	R	96.7	Very high	96.4	Very high	164 Å²	164	68 Å²	68	62%	0.619	34%	0.343	S	S	*	.	H	α-helix	trans	-61.9	-45.6	174.2	-170.4	-175.3	-59	155.9	2.7	112.4	L623 R624 V625 R629 A630 E631	L623-R627 WeakPolarHBondContact O-CB 3.45Å; L623-R627 PolarHBondContact O-N 2.66Å; R624-R627 PolarHBondContact O-N 3.46Å; V625-R627 PolarHBondContact O-N 3.43Å; R627-R629 VanDerWaalsContact C-N 3.26Å; R627-R629 PolarHBondContact O-N 3.34Å; R627-A630 WeakPolarHBondContact O-CB 3.39Å; R627-A630 PolarHBondContact O-N 3.03Å; R627-A630 VanDerWaalsContact O-N 3.12Å; R627-E631 WeakPolarHBondContact O-CG 3.49Å; R627-E631 PolarHBondContact O-N 3.26Å
628	T	96	Very high	96.5	Very high	54 Å²	54	66.4 Å²	66.4	33%	0.331	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-37.8	177.2	-53.8	0	0	0	0	111.5	R624 V625 E631 M632	R624-T628 PolarHBondContact O-N 2.64Å; R624-T628 PolarHBondContact O-OG1 3.34Å; V625-T628 PolarHBondContact O-N 2.96Å; T628-E631 PolarHBondContact O-N 3.47Å; T628-M632 HydrophobicContact CG2-CE 4.16Å; T628-M632 WeakPolarHBondContact O-CG 3.37Å; T628-M632 PolarHBondContact O-N 2.9Å
629	R	96.8	Very high	96.5	Very high	3 Å²	3	67 Å²	67	1%	0.011	33%	0.334	C	S	.	.	H	α-helix	trans	-62.8	-47.7	173.2	-68.5	174	178.7	173.1	-2.7	111.1	F609 S610 V625 L626 R627 E631 M632 I633 L642 H672 R673	F609-R629 VanDerWaalsContact CZ-NH1 3.34Å; S610-R629 WeakPolarHBondContact OG-CB 3.43Å; V625-R629 WeakPolarHBondContact O-CG 2.9Å; V625-R629 PolarHBondContact O-N 3.02Å; L626-R629 WeakPolarHBondContact O-CB 3.45Å; L626-R629 PolarHBondContact O-N 3.37Å; R627-R629 VanDerWaalsContact C-N 3.26Å; R627-R629 PolarHBondContact O-N 3.34Å; R629-E631 VanDerWaalsContact C-N 3.3Å; R629-E631 PolarHBondContact O-N 3.31Å; R629-M632 HydrophobicContact CG-CE 4.23Å; R629-M632 WeakPolarHBondContact O-CB 3.4Å; R629-M632 PolarHBondContact O-N 3.27Å; R629-I633 WeakPolarHBondContact O-CG1 3.4Å; R629-I633 PolarHBondContact O-N 3.44Å; R629-L642 HydrophobicContact CB-CD1 4.34Å; R629-L642 HydrophobicContact CB-CD2 4.42Å; R629-L642 HydrophobicContact CG-CD1 4.46Å; R629-L642 HydrophobicContact CG-CD2 4.49Å; R629-L642 HydrophobicContact CG-CG 4.31Å; R629-H672 PolarHBondContact NH2-O 3.38Å; R629-R673 PolarHBondContact NH2-O 2.95Å
630	A	97.2	Very high	96.6	Very high	29 Å²	29	62.6 Å²	62.6	24%	0.24	31%	0.314	C	S	.	.	H	α-helix	trans	-57.6	-40.8	176.8	0	0	0	0	0	112.6	S610 L626 R627 I633 Q634	S610-A630 PolarHBondContact OG-N 2.77Å; L626-A630 PolarHBondContact O-N 3.25Å; R627-A630 WeakPolarHBondContact O-CB 3.39Å; R627-A630 PolarHBondContact O-N 3.03Å; R627-A630 VanDerWaalsContact O-N 3.12Å; A630-I633 PolarHBondContact O-N 2.99Å; A630-Q634 WeakPolarHBondContact O-CG 3.48Å; A630-Q634 PolarHBondContact O-N 3.23Å
631	E	97.5	Very high	96.7	Very high	92 Å²	92	58 Å²	58	43%	0.43	28%	0.284	S	S	.	.	H	α-helix	trans	-62.6	-41.1	174.3	-70.9	169.4	-166.5	0	0	112.1	R627 T628 R629 Q634 N635	R627-E631 WeakPolarHBondContact O-CG 3.49Å; R627-E631 PolarHBondContact O-N 3.26Å; T628-E631 PolarHBondContact O-N 3.47Å; R629-E631 VanDerWaalsContact C-N 3.3Å; R629-E631 PolarHBondContact O-N 3.31Å; E631-Q634 PolarHBondContact O-N 2.95Å; E631-N635 WeakPolarHBondContact O-CB 3.42Å; E631-N635 PolarHBondContact O-N 2.77Å; E631-N635 PolarHBondContact O-ND2 2.77Å; E631-N635 VanDerWaalsContact O-ND2 3.08Å
632	M	97	Very high	96.9	Very high	6 Å²	6	56 Å²	56	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-63.3	-41.2	176	-74.5	-173.6	-71.6	0	0	111.9	T628 R629 N635 R636 T637 D639 L642	T628-M632 HydrophobicContact CG2-CE 4.16Å; T628-M632 WeakPolarHBondContact O-CG 3.37Å; T628-M632 PolarHBondContact O-N 2.9Å; R629-M632 HydrophobicContact CG-CE 4.23Å; R629-M632 WeakPolarHBondContact O-CB 3.4Å; R629-M632 PolarHBondContact O-N 3.27Å; M632-N635 CarbonylContact O-C 3.56Å; M632-N635 PolarHBondContact O-N 3.15Å; M632-R636 PolarHBondContact O-N 3.01Å; M632-R636 VanDerWaalsContact O-N 3.08Å; M632-T637 CarbonylContact C-O 3.57Å; M632-T637 VanDerWaalsContact C-O 3.3Å; M632-T637 WeakPolarHBondContact CB-O 3.44Å; M632-T637 PolarHBondContact O-N 3.49Å; M632-T637 PolarHBondContact O-OG1 2.9Å; M632-D639 HydrophobicContact CE-CB 4.2Å; M632-D639 WeakPolarHBondContact CE-OD2 3.49Å; M632-D639 HydrophobicContact SD-CB 3.97Å; M632-L642 HydrophobicContact CB-CD1 3.85Å; M632-L642 HydrophobicContact CE-CD1 3.82Å; M632-L642 HydrophobicContact SD-CD1 4.41Å
633	I	97.5	Very high	97	Very high	14 Å²	14	55 Å²	55	7%	0.072	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-45.4	174.7	-59.9	-54.6	0	0	0	111.4	L603 R629 A630 N635 R636 L642 F646 F858	L603-I633 HydrophobicContact CD2-CG2 3.92Å; R629-I633 WeakPolarHBondContact O-CG1 3.4Å; R629-I633 PolarHBondContact O-N 3.44Å; A630-I633 PolarHBondContact O-N 2.99Å; I633-N635 PolarHBondContact O-N 3.26Å; I633-R636 PolarHBondContact O-N 2.93Å; I633-L642 HydrophobicContact CD1-CD1 3.95Å; I633-L642 HydrophobicContact CD1-CD2 3.97Å; I633-L642 HydrophobicContact CG1-CD1 4.47Å; I633-F646 HydrophobicContact CD1-CE1 3.99Å; I633-F646 HydrophobicContact CD1-CZ 3.61Å; I633-F858 HydrophobicContact CD1-CE1 4.34Å; I633-F858 HydrophobicContact CD1-CZ 3.84Å; I633-F858 HydrophobicContact CG2-CZ 4.45Å
634	Q	96.6	Very high	97.2	Very high	142 Å²	142	51.3 Å²	51.3	66%	0.664	24%	0.239	S	C	*	.	H	α-helix	trans	-58.8	-39.3	175.8	-71.6	172.6	8.8	0	0	111.9	A630 E631 R636	A630-Q634 WeakPolarHBondContact O-CG 3.48Å; A630-Q634 PolarHBondContact O-N 3.23Å; E631-Q634 PolarHBondContact O-N 2.95Å; Q634-R636 VanDerWaalsContact C-N 3.26Å; Q634-R636 PolarHBondContact O-N 3.26Å
635	N	96.9	Very high	97.3	Very high	117 Å²	117	42.3 Å²	42.3	63%	0.626	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	3.5	178.2	-67.5	-35.4	0	0	0	113.9	E631 M632 I633 T637	E631-N635 WeakPolarHBondContact O-CB 3.42Å; E631-N635 PolarHBondContact O-N 2.77Å; E631-N635 PolarHBondContact O-ND2 2.77Å; E631-N635 VanDerWaalsContact O-ND2 3.08Å; M632-N635 CarbonylContact O-C 3.56Å; M632-N635 PolarHBondContact O-N 3.15Å; I633-N635 PolarHBondContact O-N 3.26Å; N635-T637 VanDerWaalsContact C-N 3.26Å; N635-T637 PolarHBondContact O-N 2.88Å
636	R	97.7	Very high	97.4	Very high	137 Å²	137	39.9 Å²	39.9	52%	0.517	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	42.3	-176.2	-64.1	179.3	176.1	75.4	-1.8	113.2	E599 M632 I633 Q634 P857 F858	E599-R636 IonicContact OE1-NE 2.68Å; E599-R636 PolarHBondContact OE1-NE 3.34Å; M632-R636 PolarHBondContact O-N 3.01Å; M632-R636 VanDerWaalsContact O-N 3.08Å; I633-R636 PolarHBondContact O-N 2.93Å; Q634-R636 VanDerWaalsContact C-N 3.26Å; Q634-R636 PolarHBondContact O-N 3.26Å; R636-P857 WeakPolarHBondContact O-CA 3.47Å; R636-F858 HydrophobicContact CB-CB 4.14Å; R636-F858 HydrophobicContact CB-CD1 4.26Å; R636-F858 HydrophobicContact CB-CD2 4.22Å; R636-F858 HydrophobicContact CB-CG 3.94Å; R636-F858 HydrophobicContact CG-CD2 4.22Å; R636-F858 HydrophobicContact CG-CG 4.44Å; R636-F858 WeakPolarHBondContact O-CD1 3.3Å; R636-F858 PolarHBondContact O-N 3.37Å
637	T	97.3	Very high	97.5	Very high	35 Å²	35	39.6 Å²	39.6	22%	0.215	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	161.5	176.3	57.9	0	0	0	0	110.5	M632 N635 S856	M632-T637 CarbonylContact C-O 3.57Å; M632-T637 VanDerWaalsContact C-O 3.3Å; M632-T637 WeakPolarHBondContact CB-O 3.44Å; M632-T637 PolarHBondContact O-N 3.49Å; M632-T637 PolarHBondContact O-OG1 2.9Å; N635-T637 VanDerWaalsContact C-N 3.26Å; N635-T637 PolarHBondContact O-N 2.88Å; T637-S856 CarbonylContact C-O 3.55Å; T637-S856 WeakPolarHBondContact CA-O 3.45Å
638	S	97.7	Very high	97.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	147.2	173.5	50.7	0	0	0	0	112.1	R855 S856 Y861	S638-R855 CarbonylContact O-C 3.47Å; S638-R855 WeakPolarHBondContact O-CA 3.5Å; S638-R855 WeakPolarHBondContact O-CB 3.15Å; S638-S856 PolarHBondContact N-O 3.3Å; S638-S856 PolarHBondContact O-N 3.35Å; S638-S856 PolarHBondContact OG-O 3.06Å; S638-Y861 VanDerWaalsContact OG-CE2 3.27Å; S638-Y861 WeakPolarHBondContact OG-CE2 3.4Å; S638-Y861 PolarHBondContact OG-OH 2.74Å
639	D	97.7	Very high	97.7	Very high	32 Å²	32	29.2 Å²	29.2	17%	0.171	14%	0.143	C	C	.	.			trans	-89.5	-175.9	163.7	67.9	-4.1	0	0	0	110.5	M632 A641 L642 G643 P821	M632-D639 HydrophobicContact CE-CB 4.2Å; M632-D639 WeakPolarHBondContact CE-OD2 3.49Å; M632-D639 HydrophobicContact SD-CB 3.97Å; D639-A641 VanDerWaalsContact C-N 3.34Å; D639-A641 PolarHBondContact O-N 2.76Å; D639-A641 PolarHBondContact OD1-N 3.45Å; D639-L642 PolarHBondContact O-N 2.94Å; D639-L642 WeakPolarHBondContact OD1-CB 3.14Å; D639-L642 PolarHBondContact OD1-N 3.32Å; D639-G643 PolarHBondContact O-N 3.43Å; D639-P821 WeakPolarHBondContact O-CB 3.26Å
640	W	98	Very high	97.8	Very high	5 Å²	5	29.1 Å²	29.1	2%	0.019	14%	0.143	C	C	.	.	H	α-helix	trans	-61.1	-40.5	-177.3	-153.8	-80.4	0	0	0	113.3	G643 E644 C818 P821 F824 P845 L849	W640-G643 PolarHBondContact O-N 3.12Å; W640-E644 WeakPolarHBondContact O-CB 3.34Å; W640-E644 PolarHBondContact O-N 3.41Å; W640-C818 HydrophobicContact CH2-CB 3.81Å; W640-C818 WeakPolarHBondContact CH2-O 3.43Å; W640-C818 HydrophobicContact CZ2-CB 4.29Å; W640-P821 HydrophobicContact CE3-CG 4.18Å; W640-F824 AromaticContact CD1-CD1 4Å; W640-F824 AromaticContact CE2-CD1 3.83Å; W640-F824 AromaticContact CE2-CG 3.89Å; W640-F824 HydrophobicContact CH2-CB 4.26Å; W640-F824 HydrophobicContact CZ2-CB 3.7Å; W640-F824 HydrophobicContact CZ2-CD1 4.18Å; W640-F824 HydrophobicContact CZ2-CD2 4.14Å; W640-F824 AromaticContact CZ2-CG 3.75Å; W640-F824 HydrophobicContact CZ2-CG 3.75Å; W640-F824 AromaticContact NE1-CD1 3.28Å; W640-F824 VanDerWaalsContact NE1-CD1 3.28Å; W640-F824 AromaticContact NE1-CE1 3.53Å; W640-F824 AromaticContact NE1-CG 3.78Å; W640-P845 HydrophobicContact CD2-CG 3.48Å; W640-P845 VanDerWaalsContact CD2-CG 3.48Å; W640-P845 VanDerWaalsContact CE2-CD 3.43Å; W640-P845 VanDerWaalsContact CE2-CG 3.43Å; W640-P845 HydrophobicContact CE3-CG 3.71Å; W640-P845 HydrophobicContact CG-CG 4.05Å; W640-P845 HydrophobicContact CH2-CG 3.85Å; W640-P845 HydrophobicContact CZ2-CG 3.65Å; W640-P845 HydrophobicContact CZ3-CG 3.88Å; W640-L849 HydrophobicContact CB-CD2 3.72Å; W640-L849 HydrophobicContact CG-CD2 3.74Å
641	A	97.2	Very high	97.8	Very high	2 Å²	2	27.8 Å²	27.8	2%	0.017	13%	0.132	C	C	.	.	H	α-helix	trans	-68.4	-39.2	-179.7	0	0	0	0	0	111.6	D639 A645 H672	D639-A641 VanDerWaalsContact C-N 3.34Å; D639-A641 PolarHBondContact O-N 2.76Å; D639-A641 PolarHBondContact OD1-N 3.45Å; A641-A645 WeakPolarHBondContact O-CB 3.42Å; A641-A645 PolarHBondContact O-N 3.44Å; A641-H672 VanDerWaalsContact CB-O 3.29Å; A641-H672 WeakPolarHBondContact CB-O 3.48Å
642	L	97.8	Very high	97.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.2	-41.2	172.1	-82.2	174.9	0	0	0	112.2	F609 R629 M632 I633 D639 E644 A645 F646	F609-L642 HydrophobicContact CD1-CD2 3.94Å; R629-L642 HydrophobicContact CB-CD1 4.34Å; R629-L642 HydrophobicContact CB-CD2 4.42Å; R629-L642 HydrophobicContact CG-CD1 4.46Å; R629-L642 HydrophobicContact CG-CD2 4.49Å; R629-L642 HydrophobicContact CG-CG 4.31Å; M632-L642 HydrophobicContact CB-CD1 3.85Å; M632-L642 HydrophobicContact CE-CD1 3.82Å; M632-L642 HydrophobicContact SD-CD1 4.41Å; I633-L642 HydrophobicContact CD1-CD1 3.95Å; I633-L642 HydrophobicContact CD1-CD2 3.97Å; I633-L642 HydrophobicContact CG1-CD1 4.47Å; D639-L642 PolarHBondContact O-N 2.94Å; D639-L642 WeakPolarHBondContact OD1-CB 3.14Å; D639-L642 PolarHBondContact OD1-N 3.32Å; L642-E644 VanDerWaalsContact C-N 3.34Å; L642-E644 PolarHBondContact O-N 3.35Å; L642-A645 PolarHBondContact O-N 2.63Å; L642-F646 HydrophobicContact CB-CE2 4.44Å; L642-F646 HydrophobicContact CB-CZ 4.34Å; L642-F646 HydrophobicContact CD2-CE1 4.34Å; L642-F646 HydrophobicContact CD2-CZ 4.44Å; L642-F646 WeakPolarHBondContact O-CB 3.38Å; L642-F646 WeakPolarHBondContact O-CD1 3.38Å; L642-F646 WeakPolarHBondContact O-CD2 3.27Å; L642-F646 WeakPolarHBondContact O-CG 3.43Å; L642-F646 PolarHBondContact O-N 3.43Å
643	G	98.1	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.6	-42.7	175.3	0	0	0	0	0	112.7	D639 W640 F646 A647	D639-G643 PolarHBondContact O-N 3.43Å; W640-G643 PolarHBondContact O-N 3.12Å; G643-F646 PolarHBondContact O-N 3.26Å; G643-A647 PolarHBondContact O-N 3.01Å; G643-A647 VanDerWaalsContact O-N 3.15Å
644	E	98.6	Very high	97.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.9	-49.3	172.2	-178.1	-178.9	-130	0	0	111.6	W640 L642 F646 A647 F648 R673 H675 F824	W640-E644 WeakPolarHBondContact O-CB 3.34Å; W640-E644 PolarHBondContact O-N 3.41Å; L642-E644 VanDerWaalsContact C-N 3.34Å; L642-E644 PolarHBondContact O-N 3.35Å; E644-F646 VanDerWaalsContact C-N 3.3Å; E644-F646 PolarHBondContact O-N 2.88Å; E644-A647 WeakPolarHBondContact O-CB 3.26Å; E644-A647 PolarHBondContact O-N 3.03Å; E644-A647 VanDerWaalsContact O-N 3.07Å; E644-F648 HydrophobicContact CG-CD2 4.19Å; E644-F648 HydrophobicContact CG-CE1 4.02Å; E644-F648 HydrophobicContact CG-CE2 3.62Å; E644-F648 HydrophobicContact CG-CZ 3.5Å; E644-F648 WeakPolarHBondContact O-CG 3.44Å; E644-F648 PolarHBondContact O-N 3.37Å; E644-R673 VanDerWaalsContact CD-NE 3.26Å; E644-R673 IonicContact OE1-CZ 2.69Å; E644-R673 IonicContact OE1-NE 3.71Å; E644-R673 PolarHBondContact OE1-NE 2.92Å; E644-R673 IonicContact OE1-NH2 3.61Å; E644-R673 PolarHBondContact OE1-NH2 2.95Å; E644-R673 WeakPolarHBondContact OE2-CD 3.38Å; E644-R673 IonicContact OE2-CZ 3.01Å; E644-R673 IonicContact OE2-NE 3.31Å; E644-R673 PolarHBondContact OE2-NE 3.27Å; E644-R673 IonicContact OE2-NH2 2.9Å; E644-H675 IonicContact OE2-CE1 3.14Å; E644-H675 IonicContact OE2-NE2 3.72Å; E644-F824 HydrophobicContact CB-CD1 4.49Å; E644-F824 HydrophobicContact CB-CE1 4.07Å; E644-F824 HydrophobicContact CG-CE1 4.2Å
645	A	98.4	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-37.7	178.5	0	0	0	0	0	112.4	I605 F609 A641 L642 A647 F648 G649 L690	I605-A645 HydrophobicContact CG2-CB 4.5Å; I605-A645 WeakPolarHBondContact CG2-O 3.1Å; F609-A645 HydrophobicContact CD1-CB 3.74Å; F609-A645 HydrophobicContact CD2-CB 4.26Å; F609-A645 HydrophobicContact CE1-CB 3.67Å; F609-A645 HydrophobicContact CE2-CB 4.25Å; F609-A645 HydrophobicContact CG-CB 4.01Å; F609-A645 HydrophobicContact CZ-CB 3.95Å; A641-A645 WeakPolarHBondContact O-CB 3.42Å; A641-A645 PolarHBondContact O-N 3.44Å; L642-A645 PolarHBondContact O-N 2.63Å; A645-A647 VanDerWaalsContact C-N 3.33Å; A645-A647 PolarHBondContact O-N 3.01Å; A645-F648 PolarHBondContact O-N 3.16Å; A645-G649 PolarHBondContact O-N 2.74Å; A645-L690 HydrophobicContact CB-CD2 4.33Å
646	F	98.7	Very high	97.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.9	-41.5	173.7	-64.6	-23.3	0	0	0	111.6	L602 I605 I633 L642 G643 E644 S650 F825 F858 Y861	L602-F646 HydrophobicContact CB-CE1 4.42Å; L602-F646 HydrophobicContact CB-CZ 4.43Å; L602-F646 HydrophobicContact CD2-CB 3.86Å; L602-F646 HydrophobicContact CD2-CD1 4.12Å; L602-F646 HydrophobicContact CD2-CD2 3.81Å; L602-F646 HydrophobicContact CD2-CE2 4.34Å; L602-F646 HydrophobicContact CD2-CG 3.69Å; L602-F646 WeakPolarHBondContact O-CE1 3.25Å; I605-F646 HydrophobicContact CB-CD1 4.14Å; I605-F646 HydrophobicContact CG2-CD1 3.93Å; I633-F646 HydrophobicContact CD1-CE1 3.99Å; I633-F646 HydrophobicContact CD1-CZ 3.61Å; L642-F646 HydrophobicContact CB-CE2 4.44Å; L642-F646 HydrophobicContact CB-CZ 4.34Å; L642-F646 HydrophobicContact CD2-CE1 4.34Å; L642-F646 HydrophobicContact CD2-CZ 4.44Å; L642-F646 WeakPolarHBondContact O-CB 3.38Å; L642-F646 WeakPolarHBondContact O-CD1 3.38Å; L642-F646 WeakPolarHBondContact O-CD2 3.27Å; L642-F646 WeakPolarHBondContact O-CG 3.43Å; L642-F646 PolarHBondContact O-N 3.43Å; G643-F646 PolarHBondContact O-N 3.26Å; E644-F646 VanDerWaalsContact C-N 3.3Å; E644-F646 PolarHBondContact O-N 2.88Å; F646-S650 VanDerWaalsContact O-CB 3.25Å; F646-S650 WeakPolarHBondContact O-CB 3.42Å; F646-S650 PolarHBondContact O-N 3.05Å; F646-S650 PolarHBondContact O-OG 3.38Å; F646-F825 VanDerWaalsContact C-CE2 3.48Å; F646-F825 HydrophobicContact CB-CD2 3.67Å; F646-F825 HydrophobicContact CB-CE2 3.73Å; F646-F858 AromaticContact CE2-CE1 3.91Å; F646-F858 HydrophobicContact CE2-CE1 3.91Å; F646-F858 HydrophobicContact CE2-CZ 4.32Å; F646-F858 AromaticContact CZ-CE1 3.83Å; F646-F858 HydrophobicContact CZ-CE1 3.83Å; F646-F858 AromaticContact CZ-CZ 3.85Å; F646-F858 HydrophobicContact CZ-CZ 3.85Å; F646-Y861 HydrophobicContact CD2-CD1 4.12Å; F646-Y861 AromaticContact CD2-CE1 3.87Å; F646-Y861 HydrophobicContact CD2-CE1 3.87Å
647	A	98.6	Very high	97.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.3	-48	-179.4	0	0	0	0	0	110.1	G643 E644 A645 S650 L651 F825 L828 R829	G643-A647 PolarHBondContact O-N 3.01Å; G643-A647 VanDerWaalsContact O-N 3.15Å; E644-A647 WeakPolarHBondContact O-CB 3.26Å; E644-A647 PolarHBondContact O-N 3.03Å; E644-A647 VanDerWaalsContact O-N 3.07Å; A645-A647 VanDerWaalsContact C-N 3.33Å; A645-A647 PolarHBondContact O-N 3.01Å; A647-S650 PolarHBondContact O-OG 2.92Å; A647-L651 WeakPolarHBondContact O-CB 3.48Å; A647-L651 WeakPolarHBondContact O-CD1 3.17Å; A647-L651 VanDerWaalsContact O-CG 3.26Å; A647-L651 WeakPolarHBondContact O-CG 3.48Å; A647-L651 PolarHBondContact O-N 3.43Å; A647-F825 VanDerWaalsContact CA-CD2 3.42Å; A647-F825 HydrophobicContact CB-CB 4.39Å; A647-F825 HydrophobicContact CB-CD2 3.64Å; A647-F825 HydrophobicContact CB-CE2 4.3Å; A647-F825 HydrophobicContact CB-CG 4.29Å; A647-L828 HydrophobicContact CB-CB 4.09Å; A647-L828 HydrophobicContact CB-CD1 3.9Å; A647-R829 HydrophobicContact CB-CG 4.46Å
648	F	98.5	Very high	98	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-66.7	-51.2	-179.4	-63.3	-1.6	0	0	0	110.8	E644 A645 S650 L651 L652 V658 L660 H675 L690 Y700 L727 I729 L828	E644-F648 HydrophobicContact CG-CD2 4.19Å; E644-F648 HydrophobicContact CG-CE1 4.02Å; E644-F648 HydrophobicContact CG-CE2 3.62Å; E644-F648 HydrophobicContact CG-CZ 3.5Å; E644-F648 WeakPolarHBondContact O-CG 3.44Å; E644-F648 PolarHBondContact O-N 3.37Å; A645-F648 PolarHBondContact O-N 3.16Å; F648-S650 VanDerWaalsContact C-N 3.33Å; F648-S650 PolarHBondContact O-N 3.15Å; F648-L651 PolarHBondContact O-N 3.41Å; F648-L652 WeakPolarHBondContact O-CD1 3.49Å; F648-L652 WeakPolarHBondContact O-CG 3.44Å; F648-L652 PolarHBondContact O-N 2.98Å; F648-V658 HydrophobicContact CB-CG1 4.46Å; F648-V658 HydrophobicContact CD1-CG1 3.95Å; F648-V658 HydrophobicContact CD2-CG1 4.29Å; F648-V658 HydrophobicContact CE1-CG1 4.27Å; F648-V658 HydrophobicContact CG-CG1 3.98Å; F648-L660 HydrophobicContact CE2-CD2 4.28Å; F648-H675 AromaticContact CD2-CE1 3.65Å; F648-H675 AromaticContact CE2-CE1 3.66Å; F648-L690 HydrophobicContact CB-CD1 4.1Å; F648-L690 HydrophobicContact CD2-CD1 4.08Å; F648-Y700 AromaticContact CD2-CE2 3.97Å; F648-Y700 HydrophobicContact CD2-CE2 3.97Å; F648-Y700 HydrophobicContact CE2-CE2 4.36Å; F648-L727 HydrophobicContact CD1-CD2 4.33Å; F648-L727 HydrophobicContact CE1-CD2 4.28Å; F648-I729 HydrophobicContact CD1-CD1 4.46Å; F648-I729 HydrophobicContact CE1-CD1 3.42Å; F648-I729 VanDerWaalsContact CE1-CD1 3.42Å; F648-I729 HydrophobicContact CE2-CD1 4.42Å; F648-I729 HydrophobicContact CZ-CD1 3.41Å; F648-I729 VanDerWaalsContact CZ-CD1 3.41Å; F648-L828 HydrophobicContact CD1-CD1 4.42Å; F648-L828 HydrophobicContact CE1-CD1 3.75Å
649	G	98.3	Very high	98	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.4	-40.1	-178.5	0	0	0	0	0	113.5	A645 L652 R653 L693	A645-G649 PolarHBondContact O-N 2.74Å; G649-L652 PolarHBondContact O-N 2.89Å; G649-R653 PolarHBondContact O-N 2.9Å; G649-L693 VanDerWaalsContact CA-CD1 3.49Å
650	S	98.2	Very high	98	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.007	8%	0.077	C	C	.	.	H	α-helix	trans	-68.3	-41.1	177.4	57	0	0	0	0	112.5	F646 A647 F648 R653 E654 R829	F646-S650 VanDerWaalsContact O-CB 3.25Å; F646-S650 WeakPolarHBondContact O-CB 3.42Å; F646-S650 PolarHBondContact O-N 3.05Å; F646-S650 PolarHBondContact O-OG 3.38Å; A647-S650 PolarHBondContact O-OG 2.92Å; F648-S650 VanDerWaalsContact C-N 3.33Å; F648-S650 PolarHBondContact O-N 3.15Å; S650-R653 WeakPolarHBondContact O-CB 3.12Å; S650-R653 PolarHBondContact O-N 2.75Å; S650-E654 WeakPolarHBondContact O-CG 3.12Å; S650-E654 PolarHBondContact O-N 2.79Å; S650-E654 VanDerWaalsContact O-N 3.08Å; S650-R829 PolarHBondContact OG-NH1 3.35Å
651	L	98.4	Very high	98.1	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-62.9	-42.9	174.2	-73	172.4	0	0	0	111.4	A647 F648 R653 E654 G655 V656 V658 L727 R829 V832	A647-L651 WeakPolarHBondContact O-CB 3.48Å; A647-L651 WeakPolarHBondContact O-CD1 3.17Å; A647-L651 VanDerWaalsContact O-CG 3.26Å; A647-L651 WeakPolarHBondContact O-CG 3.48Å; A647-L651 PolarHBondContact O-N 3.43Å; F648-L651 PolarHBondContact O-N 3.41Å; L651-R653 VanDerWaalsContact C-N 3.29Å; L651-R653 PolarHBondContact O-N 3.01Å; L651-E654 CarbonylContact O-C 3.59Å; L651-E654 WeakPolarHBondContact O-CA 3.36Å; L651-E654 WeakPolarHBondContact O-CB 3.49Å; L651-E654 PolarHBondContact O-N 2.9Å; L651-G655 PolarHBondContact O-N 3.38Å; L651-V656 HydrophobicContact CB-CB 3.95Å; L651-V656 HydrophobicContact CB-CG1 4.02Å; L651-V656 HydrophobicContact CD2-CB 4.32Å; L651-V656 HydrophobicContact CD2-CG1 4.26Å; L651-V656 HydrophobicContact CD2-CG2 4.27Å; L651-V656 VanDerWaalsContact O-CB 3.31Å; L651-V656 WeakPolarHBondContact O-CB 3.39Å; L651-V656 PolarHBondContact O-N 2.77Å; L651-V658 HydrophobicContact CB-CG2 4.02Å; L651-V658 HydrophobicContact CD1-CG2 4.35Å; L651-L727 HydrophobicContact CD1-CB 4.43Å; L651-L727 HydrophobicContact CD1-CD2 3.56Å; L651-R829 HydrophobicContact CD1-CG 4.33Å; L651-R829 HydrophobicContact CD2-CG 4.29Å; L651-R829 HydrophobicContact CG-CG 4.13Å; L651-V832 HydrophobicContact CD1-CG2 4.04Å; L651-V832 HydrophobicContact CD2-CB 3.98Å; L651-V832 HydrophobicContact CD2-CG1 4.17Å; L651-V832 HydrophobicContact CD2-CG2 4Å
652	L	98.4	Very high	98.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.4	-40.1	177	-64.6	163	0	0	0	111.6	F648 G649 E654 G655 V658 L690 Q697 A698 K699 Y700	F648-L652 WeakPolarHBondContact O-CD1 3.49Å; F648-L652 WeakPolarHBondContact O-CG 3.44Å; F648-L652 PolarHBondContact O-N 2.98Å; G649-L652 PolarHBondContact O-N 2.89Å; L652-E654 VanDerWaalsContact C-N 3.28Å; L652-E654 PolarHBondContact O-N 2.83Å; L652-G655 PolarHBondContact O-N 2.93Å; L652-V658 HydrophobicContact CD2-CB 4.3Å; L652-V658 HydrophobicContact CD2-CG2 4.17Å; L652-V658 HydrophobicContact CG-CG2 4.25Å; L652-L690 HydrophobicContact CD1-CB 4.27Å; L652-L690 WeakPolarHBondContact CD1-O 3.21Å; L652-Q697 HydrophobicContact CB-CB 4.43Å; L652-A698 HydrophobicContact CD2-CB 4.29Å; L652-A698 WeakPolarHBondContact CD2-O 3.3Å; L652-A698 PolarHBondContact O-N 2.93Å; L652-K699 VanDerWaalsContact CD2-O 3.26Å; L652-K699 WeakPolarHBondContact CD2-O 3.38Å; L652-Y700 HydrophobicContact CD1-CG 4.24Å
653	R	97.2	Very high	98.2	Very high	107 Å²	107	14.7 Å²	14.7	40%	0.404	8%	0.08	S	C	.	.	H	α-helix	trans	-61.6	-35.9	172.8	-173	-176.3	175.7	165.7	5.8	112.3	T601 G649 S650 L651 G655 W694	T601-R653 PolarHBondContact OG1-NH1 3.1Å; G649-R653 PolarHBondContact O-N 2.9Å; S650-R653 WeakPolarHBondContact O-CB 3.12Å; S650-R653 PolarHBondContact O-N 2.75Å; L651-R653 VanDerWaalsContact C-N 3.29Å; L651-R653 PolarHBondContact O-N 3.01Å; R653-G655 PolarHBondContact O-N 3.45Å; R653-W694 HydrophobicContact CB-CD2 4.48Å; R653-W694 HydrophobicContact CB-CE3 3.84Å; R653-W694 HydrophobicContact CB-CH2 4.14Å; R653-W694 HydrophobicContact CB-CZ3 3.67Å; R653-W694 HydrophobicContact CG-CD2 4.23Å; R653-W694 HydrophobicContact CG-CE3 4.09Å; R653-W694 HydrophobicContact CG-CH2 4.29Å; R653-W694 HydrophobicContact CG-CZ2 4.4Å; R653-W694 HydrophobicContact CG-CZ3 4.15Å
654	E	96.2	Very high	98.2	Very high	96 Å²	96	17.9 Å²	17.9	45%	0.449	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	7.2	178.5	-68.7	165	-179.3	0	0	113.2	S650 L651 L652 R829	S650-E654 WeakPolarHBondContact O-CG 3.12Å; S650-E654 PolarHBondContact O-N 2.79Å; S650-E654 VanDerWaalsContact O-N 3.08Å; L651-E654 CarbonylContact O-C 3.59Å; L651-E654 WeakPolarHBondContact O-CA 3.36Å; L651-E654 WeakPolarHBondContact O-CB 3.49Å; L651-E654 PolarHBondContact O-N 2.9Å; L652-E654 VanDerWaalsContact C-N 3.28Å; L652-E654 PolarHBondContact O-N 2.83Å; E654-R829 VanDerWaalsContact CD-NH1 3.31Å; E654-R829 IonicContact OE1-CZ 3.68Å; E654-R829 IonicContact OE1-NH1 2.78Å; E654-R829 PolarHBondContact OE1-NH1 3.35Å; E654-R829 VanDerWaalsContact OE1-NH1 3.15Å; E654-R829 IonicContact OE1-NH2 3.58Å; E654-R829 PolarHBondContact OE1-NH2 3.33Å; E654-R829 IonicContact OE2-CZ 3.73Å; E654-R829 IonicContact OE2-NH1 2.78Å; E654-R829 PolarHBondContact OE2-NH1 3.22Å; E654-R829 IonicContact OE2-NH2 3.66Å; E654-R829 PolarHBondContact OE2-NH2 3.1Å
655	G	96.5	Very high	98.2	Very high	55 Å²	55	17.9 Å²	17.9	57%	0.567	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	14.5	179.2	0	0	0	0	0	114.1	L651 L652 R653	L651-G655 PolarHBondContact O-N 3.38Å; L652-G655 PolarHBondContact O-N 2.93Å; R653-G655 PolarHBondContact O-N 3.45Å
656	V	97.8	Very high	98.1	Very high	15 Å²	15	19.6 Å²	19.6	9%	0.091	11%	0.105	C	C	.	.			trans	-92.7	120.6	-179.5	169.3	0	0	0	0	110.2	L651 V658 A698 N725 V832	L651-V656 HydrophobicContact CB-CB 3.95Å; L651-V656 HydrophobicContact CB-CG1 4.02Å; L651-V656 HydrophobicContact CD2-CB 4.32Å; L651-V656 HydrophobicContact CD2-CG1 4.26Å; L651-V656 HydrophobicContact CD2-CG2 4.27Å; L651-V656 VanDerWaalsContact O-CB 3.31Å; L651-V656 WeakPolarHBondContact O-CB 3.39Å; L651-V656 PolarHBondContact O-N 2.77Å; V656-V658 PolarHBondContact O-N 2.88Å; V656-A698 WeakPolarHBondContact O-CB 3.2Å; V656-N725 WeakPolarHBondContact CG1-O 3.45Å; V656-V832 HydrophobicContact CB-CG1 4.5Å; V656-V832 HydrophobicContact CG1-CG1 3.99Å; V656-V832 HydrophobicContact CG1-CG2 4.15Å; V656-V832 HydrophobicContact CG2-CG1 3.74Å
657	H	98.1	Very high	98.1	Very high	11 Å²	11	25.2 Å²	25.2	5%	0.051	13%	0.126	C	C	.	.			trans	-66	127.7	169.8	174.7	-149.5	0	0	0	110	F384 Y385 K699 T701 F719 A726 L727	F384-H657 AromaticContact CD1-CE1 3.93Å; F384-H657 AromaticContact CE1-CE1 3.36Å; F384-H657 WeakPolarHBondContact CE1-CE1 3.34Å; F384-H657 AromaticContact CE1-CG 3.87Å; F384-H657 AromaticContact CE1-ND1 3.39Å; F384-H657 WeakPolarHBondContact CE1-ND1 3.39Å; F384-H657 AromaticContact CE1-NE2 3.82Å; F384-H657 AromaticContact CZ-CD2 3.94Å; F384-H657 AromaticContact CZ-CE1 3.5Å; F384-H657 AromaticContact CZ-ND1 3.91Å; F384-H657 AromaticContact CZ-NE2 3.51Å; Y385-H657 HydrophobicContact CE1-CB 4.3Å; Y385-H657 AromaticContact CE1-ND1 3.65Å; Y385-H657 AromaticContact CZ-ND1 3.57Å; Y385-H657 PolarHBondContact OH-ND1 3.19Å; H657-K699 PolarHBondContact CD2-O 2.88Å; H657-T701 PolarHBondContact NE2-OG1 3.48Å; H657-F719 AromaticContact CE1-CE1 3.71Å; H657-F719 AromaticContact CE1-CZ 3.79Å; H657-A726 HydrophobicContact CB-CB 4.27Å; H657-A726 WeakPolarHBondContact O-CA 3.36Å; H657-L727 PolarHBondContact O-N 3.26Å
658	V	98.7	Very high	98.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.7	170.8	-176.3	0	0	0	0	109	F648 L651 L652 V656 Y700 T701 L727 I729	F648-V658 HydrophobicContact CB-CG1 4.46Å; F648-V658 HydrophobicContact CD1-CG1 3.95Å; F648-V658 HydrophobicContact CD2-CG1 4.29Å; F648-V658 HydrophobicContact CE1-CG1 4.27Å; F648-V658 HydrophobicContact CG-CG1 3.98Å; L651-V658 HydrophobicContact CB-CG2 4.02Å; L651-V658 HydrophobicContact CD1-CG2 4.35Å; L652-V658 HydrophobicContact CD2-CB 4.3Å; L652-V658 HydrophobicContact CD2-CG2 4.17Å; L652-V658 HydrophobicContact CG-CG2 4.25Å; V656-V658 PolarHBondContact O-N 2.88Å; V658-Y700 HydrophobicContact CB-CD2 3.87Å; V658-Y700 HydrophobicContact CB-CE2 4.26Å; V658-Y700 HydrophobicContact CG1-CD2 4.03Å; V658-Y700 HydrophobicContact CG1-CE2 3.89Å; V658-Y700 VanDerWaalsContact O-CD2 3.27Å; V658-Y700 WeakPolarHBondContact O-CD2 3.29Å; V658-T701 PolarHBondContact O-N 2.95Å; V658-L727 CarbonylContact C-O 3.54Å; V658-L727 WeakPolarHBondContact CA-O 3.45Å; V658-L727 HydrophobicContact CG1-CB 4.4Å; V658-L727 HydrophobicContact CG1-CD2 4.14Å; V658-L727 HydrophobicContact CG1-CG 4.42Å; V658-L727 HydrophobicContact CG2-CB 4.23Å; V658-L727 HydrophobicContact CG2-CD2 4.39Å; V658-I729 HydrophobicContact CG1-CD1 4.22Å
659	R	98.5	Very high	98	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.015	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.3	174.7	179	173.9	168.9	90.1	2.5	109.9	T701 E716 L727 I729	R659-T701 CarbonylContact C-O 3.43Å; R659-T701 VanDerWaalsContact CA-O 3.24Å; R659-T701 WeakPolarHBondContact CA-O 3.45Å; R659-T701 HydrophobicContact CG-CG2 4.35Å; R659-E716 WeakPolarHBondContact CD-OE2 3.39Å; R659-E716 IonicContact CZ-OE1 2.74Å; R659-E716 IonicContact CZ-OE2 3.15Å; R659-E716 IonicContact NE-OE1 2.76Å; R659-E716 PolarHBondContact NE-OE1 2.98Å; R659-E716 IonicContact NE-OE2 3.35Å; R659-E716 PolarHBondContact NE-OE2 3.34Å; R659-E716 IonicContact NH2-OE1 2.78Å; R659-E716 PolarHBondContact NH2-OE1 3.42Å; R659-E716 IonicContact NH2-OE2 3.73Å; R659-L727 PolarHBondContact N-O 3.45Å; R659-I729 WeakPolarHBondContact O-CB 3.26Å; R659-I729 PolarHBondContact O-N 2.81Å
660	L	98.8	Very high	98	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.7	174.1	175.2	63	0	0	0	109.7	F648 V665 Y700 T701 V702 C703 I729 E731	F648-L660 HydrophobicContact CE2-CD2 4.28Å; L660-V665 HydrophobicContact CD1-CB 4.5Å; L660-V665 HydrophobicContact CD1-CG1 4.43Å; L660-V665 HydrophobicContact CD2-CB 4.11Å; L660-V665 HydrophobicContact CG-CB 4.01Å; L660-V665 HydrophobicContact CG-CG1 4.45Å; L660-V665 HydrophobicContact CG-CG2 4.14Å; L660-Y700 HydrophobicContact CB-CE2 4.31Å; L660-Y700 WeakPolarHBondContact CD2-OH 3.26Å; L660-T701 PolarHBondContact N-O 2.81Å; L660-V702 HydrophobicContact CB-CG2 4.36Å; L660-V702 HydrophobicContact CD2-CG2 4.17Å; L660-V702 HydrophobicContact CG-CG2 4.4Å; L660-V702 WeakPolarHBondContact O-CA 3.32Å; L660-C703 PolarHBondContact O-N 3.31Å; L660-I729 HydrophobicContact CD1-CB 3.91Å; L660-I729 HydrophobicContact CD1-CG2 3.67Å; L660-E731 HydrophobicContact CD1-CB 4.31Å
661	S	98.7	Very high	97.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.5	-175	179.4	0	0	0	0	110.3	Y423 E716 I729 W730 E731	Y423-S661 PolarHBondContact OH-OG 2.81Å; S661-E716 WeakPolarHBondContact CB-OE1 3.34Å; S661-E716 VanDerWaalsContact OG-CD 3.32Å; S661-E716 PolarHBondContact OG-OE1 2.76Å; S661-I729 PolarHBondContact N-O 2.72Å; S661-W730 CarbonylContact O-C 3.22Å; S661-W730 VanDerWaalsContact O-CA 3.29Å; S661-W730 WeakPolarHBondContact O-CA 3.37Å; S661-E731 PolarHBondContact O-N 3.5Å
662	G	98.6	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.5	177	178.9	0	0	0	0	0	112.1	D664 V665 N704 S705	G662-D664 PolarHBondContact O-N 3.43Å; G662-V665 WeakPolarHBondContact O-CG2 3.38Å; G662-N704 CarbonylContact O-C 3.11Å; G662-N704 WeakPolarHBondContact O-CA 3.22Å; G662-S705 PolarHBondContact O-N 2.78Å; G662-S705 PolarHBondContact O-OG 3.32Å
663	Q	98.5	Very high	97.8	Very high	18 Å²	18	31.1 Å²	31.1	8%	0.084	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	126.3	-177.7	-65.5	165.3	15.6	0	0	110.3	V665 S705 E709 Q733	Q663-V665 PolarHBondContact O-N 2.89Å; Q663-S705 PolarHBondContact N-OG 3.26Å; Q663-E709 PolarHBondContact NE2-OE1 3.11Å; Q663-Q733 HydrophobicContact CB-CB 4.33Å
664	D	98	Very high	97.8	Very high	67 Å²	67	26.9 Å²	26.9	36%	0.358	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	17.2	177.5	-54.5	-75.9	0	0	0	115.8	G662 E666 R667 G668 N704 Q733	G662-D664 PolarHBondContact O-N 3.43Å; D664-E666 PolarHBondContact O-N 3.5Å; D664-E666 VanDerWaalsContact O-N 3.15Å; D664-R667 PolarHBondContact O-N 2.83Å; D664-G668 CarbonylContact O-C 2.96Å; D664-G668 WeakPolarHBondContact O-CA 3.34Å; D664-G668 PolarHBondContact O-N 2.75Å; D664-N704 VanDerWaalsContact CA-OD1 3.23Å; D664-N704 WeakPolarHBondContact CA-OD1 3.29Å; D664-Q733 PolarHBondContact OD2-NE2 2.94Å
665	V	98.5	Very high	97.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.2	-173.5	-65.3	0	0	0	0	113.6	L660 G662 Q663 R667 G668 R673 V702 C703 N704 E731	L660-V665 HydrophobicContact CD1-CB 4.5Å; L660-V665 HydrophobicContact CD1-CG1 4.43Å; L660-V665 HydrophobicContact CD2-CB 4.11Å; L660-V665 HydrophobicContact CG-CB 4.01Å; L660-V665 HydrophobicContact CG-CG1 4.45Å; L660-V665 HydrophobicContact CG-CG2 4.14Å; G662-V665 WeakPolarHBondContact O-CG2 3.38Å; Q663-V665 PolarHBondContact O-N 2.89Å; V665-R667 VanDerWaalsContact C-N 3.34Å; V665-R667 PolarHBondContact O-N 2.79Å; V665-G668 PolarHBondContact O-N 2.7Å; V665-R673 VanDerWaalsContact O-CD 3.3Å; V665-R673 WeakPolarHBondContact O-CD 3.4Å; V665-R673 PolarHBondContact O-NH1 2.58Å; V665-V702 HydrophobicContact CG2-CG2 4.1Å; V665-C703 VanDerWaalsContact CG2-O 3.23Å; V665-C703 WeakPolarHBondContact CG2-O 3.41Å; V665-N704 PolarHBondContact N-OD1 3.36Å; V665-E731 HydrophobicContact CG1-CB 3.82Å; V665-E731 HydrophobicContact CG1-CG 4.39Å
666	E	97.9	Very high	97.9	Very high	37 Å²	37	20.2 Å²	20.2	17%	0.173	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-42.6	179	-71.5	177.2	-162.6	0	0	112.4	D664 H674 H675 V676 V702 N704	D664-E666 PolarHBondContact O-N 3.5Å; D664-E666 VanDerWaalsContact O-N 3.15Å; E666-H674 CarbonylContact O-C 3.31Å; E666-H675 PolarHBondContact O-N 3.48Å; E666-V676 HydrophobicContact CB-CB 3.98Å; E666-V676 HydrophobicContact CB-CG2 3.63Å; E666-V676 HydrophobicContact CG-CB 4.31Å; E666-V676 HydrophobicContact CG-CG2 3.51Å; E666-V676 PolarHBondContact O-N 3.26Å; E666-V702 HydrophobicContact CG-CG1 4.37Å; E666-V702 HydrophobicContact CG-CG2 3.87Å; E666-N704 WeakPolarHBondContact CB-OD1 3.42Å; E666-N704 WeakPolarHBondContact CG-OD1 3.43Å; E666-N704 PolarHBondContact N-OD1 3.23Å; E666-N704 PolarHBondContact OE1-N 3.44Å; E666-N704 PolarHBondContact OE1-ND2 3.34Å; E666-N704 PolarHBondContact OE2-ND2 3.36Å; E666-N704 VanDerWaalsContact OE2-ND2 3.14Å
667	R	97.9	Very high	97.8	Very high	117 Å²	117	19.5 Å²	19.5	44%	0.442	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-34	172.5	-170	-163.8	73.2	-164.4	3	111.3	D664 V665 T669 R673 H674	D664-R667 PolarHBondContact O-N 2.83Å; V665-R667 VanDerWaalsContact C-N 3.34Å; V665-R667 PolarHBondContact O-N 2.79Å; R667-T669 PolarHBondContact NH2-O 2.99Å; R667-R673 WeakPolarHBondContact O-CB 3.33Å; R667-R673 PolarHBondContact O-N 2.84Å; R667-R673 VanDerWaalsContact O-N 3.07Å; R667-H674 PolarHBondContact O-N 3.44Å
668	G	97.7	Very high	97.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.113	C	C	.	.			trans	83.2	137.6	-161.2	0	0	0	0	0	111.2	D664 V665 F670 S671	D664-G668 CarbonylContact O-C 2.96Å; D664-G668 WeakPolarHBondContact O-CA 3.34Å; D664-G668 PolarHBondContact O-N 2.75Å; V665-G668 PolarHBondContact O-N 2.7Å; G668-F670 PolarHBondContact O-N 2.71Å; G668-S671 PolarHBondContact O-N 3.44Å
669	T	97.6	Very high	97.7	Very high	21 Å²	21	24.1 Å²	24.1	13%	0.129	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-48.3	176.1	-54.7	0	0	0	0	111.2	R667 S671 Q733 F734	R667-T669 PolarHBondContact NH2-O 2.99Å; T669-S671 VanDerWaalsContact C-N 3.27Å; T669-S671 PolarHBondContact O-N 2.87Å; T669-Q733 HydrophobicContact CG2-CG 3.57Å; T669-Q733 PolarHBondContact OG1-O 2.77Å; T669-F734 HydrophobicContact CG2-CD2 4.49Å; T669-F734 HydrophobicContact CG2-CE2 3.98Å
670	F	97.4	Very high	97.6	Very high	38 Å²	38	29 Å²	29	17%	0.167	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	11.4	-176.9	-50.7	-74	0	0	0	113.6	G668 H672 F734 P767 K846 L849 R850	G668-F670 PolarHBondContact O-N 2.71Å; F670-H672 VanDerWaalsContact C-N 3.29Å; F670-H672 PolarHBondContact O-N 2.95Å; F670-F734 AromaticContact CE1-CE1 3.87Å; F670-F734 HydrophobicContact CE1-CE1 3.87Å; F670-F734 HydrophobicContact CE1-CE2 4.33Å; F670-F734 AromaticContact CE1-CZ 3.63Å; F670-F734 HydrophobicContact CE1-CZ 3.63Å; F670-F734 HydrophobicContact CZ-CD1 4.38Å; F670-F734 AromaticContact CZ-CE1 3.94Å; F670-F734 HydrophobicContact CZ-CE1 3.94Å; F670-F734 HydrophobicContact CZ-CE2 4.38Å; F670-F734 AromaticContact CZ-CZ 3.94Å; F670-F734 HydrophobicContact CZ-CZ 3.94Å; F670-P767 HydrophobicContact CE2-CB 3.86Å; F670-P767 HydrophobicContact CE2-CG 4.02Å; F670-P767 HydrophobicContact CZ-CB 3.96Å; F670-P767 HydrophobicContact CZ-CG 4.46Å; F670-K846 HydrophobicContact CE1-CB 4.19Å; F670-K846 HydrophobicContact CE1-CD 4.19Å; F670-K846 HydrophobicContact CE1-CG 3.93Å; F670-K846 HydrophobicContact CE2-CG 4.06Å; F670-K846 HydrophobicContact CZ-CB 4.22Å; F670-K846 HydrophobicContact CZ-CD 3.92Å; F670-K846 HydrophobicContact CZ-CG 3.54Å; F670-L849 HydrophobicContact CB-CD1 3.65Å; F670-L849 HydrophobicContact CD2-CD1 3.54Å; F670-L849 HydrophobicContact CG-CD1 3.77Å; F670-R850 PolarHBondContact O-NH1 3.36Å; F670-R850 PolarHBondContact O-NH2 3.01Å
671	S	96.9	Very high	97.5	Very high	47 Å²	47	37.3 Å²	37.3	33%	0.329	18%	0.176	S	C	.	.	S	Bend	trans	52.5	45.9	-175.8	-169.5	0	0	0	0	112.6	G668 T669 H674 R850	G668-S671 PolarHBondContact O-N 3.44Å; T669-S671 VanDerWaalsContact C-N 3.27Å; T669-S671 PolarHBondContact O-N 2.87Å; S671-H674 PolarHBondContact O-NE2 2.88Å; S671-H674 VanDerWaalsContact O-NE2 3.15Å; S671-H674 PolarHBondContact OG-CE1 2.86Å; S671-H674 PolarHBondContact OG-NE2 2.93Å; S671-H674 VanDerWaalsContact OG-NE2 3.15Å; S671-R850 PolarHBondContact O-NH2 3.17Å; S671-R850 VanDerWaalsContact O-NH2 3.13Å
672	H	96.6	Very high	97.4	Very high	17 Å²	17	41.5 Å²	41.5	8%	0.079	20%	0.197	C	C	.	.			trans	-107.9	-30.8	-179.4	62.9	-66.5	0	0	0	112.6	R629 A641 F670 L849	R629-H672 PolarHBondContact NH2-O 3.38Å; A641-H672 VanDerWaalsContact CB-O 3.29Å; A641-H672 WeakPolarHBondContact CB-O 3.48Å; F670-H672 VanDerWaalsContact C-N 3.29Å; F670-H672 PolarHBondContact O-N 2.95Å; H672-L849 HydrophobicContact CB-CB 4.46Å; H672-L849 HydrophobicContact CB-CD1 4.12Å
673	R	97.5	Very high	97.2	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.011	23%	0.231	C	C	.	.			trans	-87.4	-57.4	-164.8	-173.3	171.5	-62.7	110.7	-4.3	113.3	F609 R629 E644 V665 R667 H675 E731	F609-R673 WeakPolarHBondContact CZ-O 3.26Å; R629-R673 PolarHBondContact NH2-O 2.95Å; E644-R673 VanDerWaalsContact CD-NE 3.26Å; E644-R673 IonicContact OE1-CZ 2.69Å; E644-R673 IonicContact OE1-NE 3.71Å; E644-R673 PolarHBondContact OE1-NE 2.92Å; E644-R673 IonicContact OE1-NH2 3.61Å; E644-R673 PolarHBondContact OE1-NH2 2.95Å; E644-R673 WeakPolarHBondContact OE2-CD 3.38Å; E644-R673 IonicContact OE2-CZ 3.01Å; E644-R673 IonicContact OE2-NE 3.31Å; E644-R673 PolarHBondContact OE2-NE 3.27Å; E644-R673 IonicContact OE2-NH2 2.9Å; V665-R673 VanDerWaalsContact O-CD 3.3Å; V665-R673 WeakPolarHBondContact O-CD 3.4Å; V665-R673 PolarHBondContact O-NH1 2.58Å; R667-R673 WeakPolarHBondContact O-CB 3.33Å; R667-R673 PolarHBondContact O-N 2.84Å; R667-R673 VanDerWaalsContact O-N 3.07Å; R673-H675 VanDerWaalsContact C-N 3.29Å; R673-H675 VanDerWaalsContact CD-CE1 3.49Å; R673-H675 WeakPolarHBondContact CD-CE1 3.21Å; R673-H675 WeakPolarHBondContact CD-ND1 3.42Å; R673-H675 HydrophobicContact CG-CB 4.2Å; R673-H675 WeakPolarHBondContact CG-CD2 3.09Å; R673-H675 VanDerWaalsContact CG-CG 3.43Å; R673-H675 VanDerWaalsContact CG-NE2 3.25Å; R673-H675 WeakPolarHBondContact CG-NE2 3.38Å; R673-H675 PolarHBondContact O-N 3.12Å; R673-E731 IonicContact CZ-OE1 2.66Å; R673-E731 IonicContact CZ-OE2 3.06Å; R673-E731 IonicContact NH1-OE1 3.93Å; R673-E731 IonicContact NH1-OE2 2.58Å; R673-E731 PolarHBondContact NH1-OE2 2.8Å; R673-E731 IonicContact NH2-OE1 3.38Å; R673-E731 PolarHBondContact NH2-OE1 3.09Å; R673-E731 IonicContact NH2-OE2 3.59Å; R673-E731 PolarHBondContact NH2-OE2 3.08Å
674	H	97.1	Very high	96.9	Very high	18 Å²	18	55.5 Å²	55.5	8%	0.083	26%	0.264	C	S	.	.			trans	48.1	48.3	-180	-55.6	-71.5	0	0	0	113.6	L622 E666 R667 S671 L677	L622-H674 HydrophobicContact CD1-CB 3.93Å; L622-H674 VanDerWaalsContact CD1-CG 3.48Å; E666-H674 CarbonylContact O-C 3.31Å; R667-H674 PolarHBondContact O-N 3.44Å; S671-H674 PolarHBondContact O-NE2 2.88Å; S671-H674 VanDerWaalsContact O-NE2 3.15Å; S671-H674 PolarHBondContact OG-CE1 2.86Å; S671-H674 PolarHBondContact OG-NE2 2.93Å; S671-H674 VanDerWaalsContact OG-NE2 3.15Å; H674-L677 HydrophobicContact CB-CD2 4.43Å
675	H	97.6	Very high	96.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.263	C	S	.	.			trans	-73.2	-21.2	175	-77.8	-171.7	0	0	0	112.4	F609 E644 F648 E666 R673 V688 P689 Y700	F609-H675 AromaticContact CE2-CD2 3.38Å; F609-H675 WeakPolarHBondContact CE2-CD2 3.44Å; F609-H675 AromaticContact CE2-NE2 3.81Å; F609-H675 AromaticContact CZ-CD2 3.42Å; F609-H675 VanDerWaalsContact CZ-CD2 3.42Å; F609-H675 WeakPolarHBondContact CZ-CD2 3.49Å; F609-H675 AromaticContact CZ-NE2 3.6Å; E644-H675 IonicContact OE2-CE1 3.14Å; E644-H675 IonicContact OE2-NE2 3.72Å; F648-H675 AromaticContact CD2-CE1 3.65Å; F648-H675 AromaticContact CE2-CE1 3.66Å; E666-H675 PolarHBondContact O-N 3.48Å; R673-H675 VanDerWaalsContact C-N 3.29Å; R673-H675 VanDerWaalsContact CD-CE1 3.49Å; R673-H675 WeakPolarHBondContact CD-CE1 3.21Å; R673-H675 WeakPolarHBondContact CD-ND1 3.42Å; R673-H675 HydrophobicContact CG-CB 4.2Å; R673-H675 WeakPolarHBondContact CG-CD2 3.09Å; R673-H675 VanDerWaalsContact CG-CG 3.43Å; R673-H675 VanDerWaalsContact CG-NE2 3.25Å; R673-H675 WeakPolarHBondContact CG-NE2 3.38Å; R673-H675 PolarHBondContact O-N 3.12Å; H675-V688 WeakPolarHBondContact O-CA 3.43Å; H675-V688 WeakPolarHBondContact O-CG1 3.2Å; H675-P689 WeakPolarHBondContact O-CD 3.42Å; H675-Y700 HydrophobicContact CB-CE1 4.21Å; H675-Y700 AromaticContact ND1-CE1 3.67Å; H675-Y700 AromaticContact ND1-CZ 3.54Å; H675-Y700 PolarHBondContact ND1-OH 2.89Å
676	V	97.2	Very high	96.7	Very high	11 Å²	11	59.9 Å²	59.9	7%	0.067	28%	0.284	C	S	.	.	S	Bend	trans	-116.7	123.9	170.8	-171	0	0	0	0	108.7	E666 T686 V688 V702	E666-V676 HydrophobicContact CB-CB 3.98Å; E666-V676 HydrophobicContact CB-CG2 3.63Å; E666-V676 HydrophobicContact CG-CB 4.31Å; E666-V676 HydrophobicContact CG-CG2 3.51Å; E666-V676 PolarHBondContact O-N 3.26Å; V676-T686 HydrophobicContact CG1-CG2 3.93Å; V676-V688 HydrophobicContact CG1-CG2 4.44Å; V676-V688 HydrophobicContact CG2-CG2 4.07Å; V676-V702 HydrophobicContact CG2-CG1 3.58Å
677	L	96.7	Very high	96.7	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	140.1	170.7	-49.9	-176.5	0	0	0	108.5	P612 F616 L622 H674 T686 F687 P689	P612-L677 HydrophobicContact CB-CD1 4.31Å; F616-L677 HydrophobicContact CE1-CB 3.86Å; F616-L677 HydrophobicContact CZ-CB 4.07Å; F616-L677 WeakPolarHBondContact CZ-O 3.32Å; L622-L677 HydrophobicContact CD2-CD2 3.62Å; L622-L677 HydrophobicContact CG-CD2 4.37Å; H674-L677 HydrophobicContact CB-CD2 4.43Å; L677-T686 CarbonylContact O-C 3.52Å; L677-T686 WeakPolarHBondContact O-CA 3.2Å; L677-F687 HydrophobicContact CB-CB 4.43Å; L677-F687 HydrophobicContact CD1-CD1 4.05Å; L677-F687 PolarHBondContact N-O 3.42Å; L677-F687 PolarHBondContact O-N 3.21Å; L677-P689 HydrophobicContact CD1-CG 4.31Å; L677-P689 HydrophobicContact CG-CG 4.37Å
678	H	96.7	Very high	96.6	Very high	94 Å²	94	55.4 Å²	55.4	44%	0.435	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.5	176.9	-65.3	-103.7	0	0	0	110.2	Q680	H678-Q680 PolarHBondContact O-N 3.11Å; H678-Q680 PolarHBondContact O-NE2 2.96Å
679	D	97.5	Very high	96.5	Very high	13 Å²	13	55.6 Å²	55.6	7%	0.07	27%	0.27	C	S	.	.			trans	-68.8	126.7	175.5	-165.9	-54.1	0	0	0	109.1	F616 S617 K681 I682 R685	F616-D679 HydrophobicContact CD2-CB 4.38Å; F616-D679 HydrophobicContact CE1-CB 4.18Å; F616-D679 HydrophobicContact CE2-CB 3.95Å; F616-D679 HydrophobicContact CZ-CB 3.84Å; S617-D679 WeakPolarHBondContact CB-OD1 3.36Å; S617-D679 PolarHBondContact N-OD2 2.92Å; D679-K681 PolarHBondContact O-N 3.26Å; D679-K681 PolarHBondContact OD1-N 3Å; D679-I682 HydrophobicContact CB-CB 4.28Å; D679-I682 PolarHBondContact OD1-N 3.29Å; D679-I682 VanDerWaalsContact OD1-N 3.13Å; D679-R685 HydrophobicContact CB-CB 3.87Å; D679-R685 HydrophobicContact CB-CG 4.12Å; D679-R685 PolarHBondContact N-O 3.17Å; D679-R685 IonicContact OD2-CZ 3.12Å; D679-R685 IonicContact OD2-NE 3.7Å; D679-R685 IonicContact OD2-NH1 3.8Å; D679-R685 PolarHBondContact OD2-NH1 2.86Å
680	Q	96.9	Very high	96.5	Very high	106 Å²	106	54.6 Å²	54.6	50%	0.495	26%	0.264	S	S	.	.	S	Bend	trans	-77.2	-9.2	-176.9	-60	-57.7	-77.9	0	0	113.5	S617 H619 H678	S617-Q680 WeakPolarHBondContact O-CB 3.06Å; S617-Q680 VanDerWaalsContact O-CG 3.29Å; S617-Q680 WeakPolarHBondContact O-CG 3.3Å; S617-Q680 PolarHBondContact O-N 3.37Å; H619-Q680 HydrophobicContact CB-CG 4.07Å; H678-Q680 PolarHBondContact O-N 3.11Å; H678-Q680 PolarHBondContact O-NE2 2.96Å
681	K	96.8	Very high	96.5	Very high	176 Å²	176	55.5 Å²	55.5	77%	0.765	27%	0.27	S	S	*	.	S	Bend	trans	-117.8	-20.5	-177.7	-63.9	-172.1	-173.6	174.3	0	113.6	S617 D679	S617-K681 WeakPolarHBondContact OG-CD 3.48Å; D679-K681 PolarHBondContact O-N 3.26Å; D679-K681 PolarHBondContact OD1-N 3Å
682	I	96.3	Very high	96.4	Very high	87 Å²	87	57.7 Å²	57.7	45%	0.446	28%	0.279	S	S	.	.	S	Bend	trans	-119.6	114.2	-177.1	-55.3	177.5	0	0	0	109.1	D679 R685	D679-I682 HydrophobicContact CB-CB 4.28Å; D679-I682 PolarHBondContact OD1-N 3.29Å; D679-I682 VanDerWaalsContact OD1-N 3.13Å; I682-R685 HydrophobicContact CB-CB 3.97Å; I682-R685 HydrophobicContact CG2-CB 3.79Å; I682-R685 PolarHBondContact O-N 3.11Å
683	D	94.6	Very high	96.4	Very high	133 Å²	133	57.3 Å²	57.3	71%	0.711	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	142.4	179.5	-174.1	39.2	0	0	0	111.8	R685	D683-R685 PolarHBondContact O-N 2.97Å
684	K	92.6	Very high	96.4	Very high	180 Å²	180	59.8 Å²	59.8	78%	0.783	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	5.5	-179.6	-61.3	171.1	-171.5	178.9	0	116.4	T686	K684-T686 PolarHBondContact O-N 2.65Å
685	R	96	Very high	96.2	Very high	86 Å²	86	65.5 Å²	65.5	33%	0.325	33%	0.325	S	S	.	.			trans	-79.6	108.4	173.2	-175	-178.3	-178	-156.4	6.2	109.3	D615 F616 D679 I682 D683	D615-R685 PolarHBondContact O-NH1 3.3Å; D615-R685 PolarHBondContact O-NH2 2.8Å; F616-R685 HydrophobicContact CE2-CG 4.14Å; D679-R685 HydrophobicContact CB-CB 3.87Å; D679-R685 HydrophobicContact CB-CG 4.12Å; D679-R685 PolarHBondContact N-O 3.17Å; D679-R685 IonicContact OD2-CZ 3.12Å; D679-R685 IonicContact OD2-NE 3.7Å; D679-R685 IonicContact OD2-NH1 3.8Å; D679-R685 PolarHBondContact OD2-NH1 2.86Å; I682-R685 HydrophobicContact CB-CB 3.97Å; I682-R685 HydrophobicContact CG2-CB 3.79Å; I682-R685 PolarHBondContact O-N 3.11Å; D683-R685 PolarHBondContact O-N 2.97Å
686	T	95.9	Very high	96	Very high	73 Å²	73	74.7 Å²	74.7	45%	0.448	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	156.9	176.6	60.2	0	0	0	0	111.7	V676 L677 K684	V676-T686 HydrophobicContact CG1-CG2 3.93Å; L677-T686 CarbonylContact O-C 3.52Å; L677-T686 WeakPolarHBondContact O-CA 3.2Å; K684-T686 PolarHBondContact O-N 2.65Å
687	F	96.7	Very high	95.9	Very high	36 Å²	36	75.6 Å²	75.6	16%	0.158	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.7	172.8	178	-105.1	0	0	0	110.2	P613 F616 L677 P689 N692	P613-F687 HydrophobicContact CB-CD2 4.13Å; P613-F687 HydrophobicContact CB-CE1 4.42Å; P613-F687 HydrophobicContact CB-CE2 3.96Å; P613-F687 HydrophobicContact CB-CG 4.43Å; P613-F687 HydrophobicContact CB-CZ 4.11Å; P613-F687 VanDerWaalsContact CD-CD1 3.47Å; P613-F687 HydrophobicContact CG-CB 4.01Å; P613-F687 HydrophobicContact CG-CD1 3.81Å; P613-F687 HydrophobicContact CG-CD2 3.67Å; P613-F687 HydrophobicContact CG-CE1 4.09Å; P613-F687 HydrophobicContact CG-CE2 3.98Å; P613-F687 HydrophobicContact CG-CG 3.55Å; P613-F687 HydrophobicContact CG-CZ 4.17Å; F616-F687 HydrophobicContact CD2-CB 4.32Å; F616-F687 HydrophobicContact CE2-CB 3.76Å; F616-F687 HydrophobicContact CZ-CB 4.05Å; L677-F687 HydrophobicContact CB-CB 4.43Å; L677-F687 HydrophobicContact CD1-CD1 4.05Å; L677-F687 PolarHBondContact N-O 3.42Å; L677-F687 PolarHBondContact O-N 3.21Å; F687-P689 HydrophobicContact CD1-CB 4.46Å; F687-P689 HydrophobicContact CD1-CG 3.84Å; F687-P689 HydrophobicContact CE1-CB 3.87Å; F687-P689 HydrophobicContact CE1-CG 3.72Å; F687-N692 HydrophobicContact CE2-CB 4.03Å; F687-N692 VanDerWaalsContact CE2-ND2 3.33Å; F687-N692 WeakPolarHBondContact CE2-ND2 3.48Å; F687-N692 HydrophobicContact CZ-CB 3.94Å
688	V	96.6	Very high	95.9	Very high	24 Å²	24	76.4 Å²	76.4	15%	0.145	38%	0.379	C	S	.	.			trans	-111.6	100.8	177.9	-174.9	0	0	0	0	108.2	H675 V676 L690 N691 N692 Y700 V702	H675-V688 WeakPolarHBondContact O-CA 3.43Å; H675-V688 WeakPolarHBondContact O-CG1 3.2Å; V676-V688 HydrophobicContact CG1-CG2 4.44Å; V676-V688 HydrophobicContact CG2-CG2 4.07Å; V688-L690 PolarHBondContact O-N 3.5Å; V688-N691 HydrophobicContact CB-CB 4.18Å; V688-N691 HydrophobicContact CG1-CB 4.22Å; V688-N691 PolarHBondContact O-N 2.89Å; V688-N692 PolarHBondContact O-ND2 3.36Å; V688-Y700 HydrophobicContact CG1-CD1 3.84Å; V688-Y700 HydrophobicContact CG1-CE1 4.28Å; V688-V702 HydrophobicContact CG1-CG1 4.33Å
689	P	96.3	Very high	95.8	Very high	3 Å²	3	77.5 Å²	77.5	2%	0.019	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-58.1	-37.3	-175.1	-23.2	32	0	0	0	112.9	F609 H675 L677 F687 N691 N692	F609-P689 HydrophobicContact CD2-CB 4.11Å; F609-P689 HydrophobicContact CD2-CG 4.44Å; H675-P689 WeakPolarHBondContact O-CD 3.42Å; L677-P689 HydrophobicContact CD1-CG 4.31Å; L677-P689 HydrophobicContact CG-CG 4.37Å; F687-P689 HydrophobicContact CD1-CB 4.46Å; F687-P689 HydrophobicContact CD1-CG 3.84Å; F687-P689 HydrophobicContact CE1-CB 3.87Å; F687-P689 HydrophobicContact CE1-CG 3.72Å; P689-N691 PolarHBondContact O-N 3.01Å; P689-N692 CarbonylContact O-C 3.46Å; P689-N692 PolarHBondContact O-N 2.79Å
690	L	97.3	Very high	95.8	Very high	0 Å²	0	77 Å²	77	0%	0	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-68.3	-15.7	179.6	-66.6	179.5	0	0	0	114	I605 F609 A645 F648 L652 V688 N692 L693 Q697 Y700	I605-L690 HydrophobicContact CG2-CD2 4.45Å; F609-L690 HydrophobicContact CD2-CD2 4.18Å; F609-L690 HydrophobicContact CD2-CG 4.23Å; F609-L690 HydrophobicContact CE2-CG 4.36Å; A645-L690 HydrophobicContact CB-CD2 4.33Å; F648-L690 HydrophobicContact CB-CD1 4.1Å; F648-L690 HydrophobicContact CD2-CD1 4.08Å; L652-L690 HydrophobicContact CD1-CB 4.27Å; L652-L690 WeakPolarHBondContact CD1-O 3.21Å; V688-L690 PolarHBondContact O-N 3.5Å; L690-N692 VanDerWaalsContact C-N 3.32Å; L690-L693 HydrophobicContact CD2-CD1 3.95Å; L690-L693 HydrophobicContact CD2-CD2 4.44Å; L690-Q697 PolarHBondContact O-NE2 2.92Å; L690-Y700 HydrophobicContact CB-CD1 3.63Å; L690-Y700 HydrophobicContact CB-CE1 4.14Å; L690-Y700 HydrophobicContact CB-CG 4.26Å; L690-Y700 HydrophobicContact CD1-CD1 4.03Å; L690-Y700 HydrophobicContact CD1-CE1 3.73Å; L690-Y700 HydrophobicContact CG-CD1 4.46Å
691	N	96.6	Very high	95.9	Very high	57 Å²	57	73 Å²	73	31%	0.305	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-86.6	-2.4	171	-86.5	-36.2	0	0	0	113.1	V688 P689 Y700	V688-N691 HydrophobicContact CB-CB 4.18Å; V688-N691 HydrophobicContact CG1-CB 4.22Å; V688-N691 PolarHBondContact O-N 2.89Å; P689-N691 PolarHBondContact O-N 3.01Å; N691-Y700 PolarHBondContact ND2-O 3.41Å; N691-Y700 WeakPolarHBondContact OD1-CA 3.37Å; N691-Y700 VanDerWaalsContact OD1-CB 3.32Å; N691-Y700 WeakPolarHBondContact OD1-CB 3.39Å; N691-Y700 PolarHBondContact OD1-N 3.02Å; N691-Y700 PolarHBondContact OD1-O 3.35Å
692	N	95.5	Very high	95.9	Very high	94 Å²	94	65.6 Å²	65.6	50%	0.503	33%	0.332	S	S	.	.	S	Bend	trans	-128.4	33.9	-172.8	-65.3	-91	0	0	0	111.4	F687 V688 P689 L690	F687-N692 HydrophobicContact CE2-CB 4.03Å; F687-N692 VanDerWaalsContact CE2-ND2 3.33Å; F687-N692 WeakPolarHBondContact CE2-ND2 3.48Å; F687-N692 HydrophobicContact CZ-CB 3.94Å; V688-N692 PolarHBondContact O-ND2 3.36Å; P689-N692 CarbonylContact O-C 3.46Å; P689-N692 PolarHBondContact O-N 2.79Å; L690-N692 VanDerWaalsContact C-N 3.32Å
693	L	96.7	Very high	95.9	Very high	9 Å²	9	61.8 Å²	61.8	5%	0.047	31%	0.312	C	S	.	.	S	Bend	trans	-84.9	-47.9	178.8	-55.1	171.5	0	0	0	110.8	H604 I605 C608 G649 L690 Q697	H604-L693 PolarHBondContact NE2-O 2.78Å; I605-L693 HydrophobicContact CG1-CD1 4.29Å; C608-L693 HydrophobicContact CB-CD2 3.58Å; G649-L693 VanDerWaalsContact CA-CD1 3.49Å; L690-L693 HydrophobicContact CD2-CD1 3.95Å; L690-L693 HydrophobicContact CD2-CD2 4.44Å; L693-Q697 VanDerWaalsContact CB-OE1 3.24Å
694	W	96.5	Very high	96.1	Very high	54 Å²	54	58.4 Å²	58.4	21%	0.205	29%	0.294	C	S	.	.			trans	-139.2	155.1	177.8	-65.8	-84.9	0	0	0	111.5	T601 H604 I605 R653 E696 Q697	T601-W694 HydrophobicContact CG2-CH2 4.09Å; H604-W694 HydrophobicContact CB-CZ2 4.11Å; H604-W694 AromaticContact CD2-CE2 3.35Å; H604-W694 AromaticContact CD2-CH2 3.72Å; H604-W694 AromaticContact CD2-CZ2 3.15Å; H604-W694 WeakPolarHBondContact CD2-CZ2 3.45Å; H604-W694 AromaticContact CD2-NE1 3.71Å; H604-W694 AromaticContact CG-CZ2 3.83Å; H604-W694 AromaticContact NE2-CE2 3.69Å; H604-W694 AromaticContact NE2-CZ2 3.98Å; H604-W694 AromaticContact NE2-NE1 3.7Å; I605-W694 HydrophobicContact CD1-CH2 4.12Å; I605-W694 HydrophobicContact CG1-CH2 3.62Å; I605-W694 HydrophobicContact CG1-CZ3 4.06Å; R653-W694 HydrophobicContact CB-CD2 4.48Å; R653-W694 HydrophobicContact CB-CE3 3.84Å; R653-W694 HydrophobicContact CB-CH2 4.14Å; R653-W694 HydrophobicContact CB-CZ3 3.67Å; R653-W694 HydrophobicContact CG-CD2 4.23Å; R653-W694 HydrophobicContact CG-CE3 4.09Å; R653-W694 HydrophobicContact CG-CH2 4.29Å; R653-W694 HydrophobicContact CG-CZ2 4.4Å; R653-W694 HydrophobicContact CG-CZ3 4.15Å; W694-E696 PolarHBondContact O-N 2.84Å; W694-Q697 HydrophobicContact CB-CB 4.35Å; W694-Q697 VanDerWaalsContact O-CG 3.3Å; W694-Q697 WeakPolarHBondContact O-CG 3.49Å; W694-Q697 PolarHBondContact O-OE1 2.94Å
695	P	93.8	Very high	96.3	Very high	138 Å²	138	50.7 Å²	50.7	90%	0.896	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-36.2	177.2	-24.7	35.2	0	0	0	114.7
696	E	92.7	Very high	96.3	Very high	194 Å²	194	47.8 Å²	47.8	91%	0.907	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	16.8	-174.4	-61.1	-172.7	174.2	0	0	113.7	W694	W694-E696 PolarHBondContact O-N 2.84Å
697	Q	95.7	Very high	96.4	Very high	30 Å²	30	51.6 Å²	51.6	14%	0.14	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-68.2	159.6	179	67.4	172.9	80.7	0	0	112.5	L652 L690 L693 W694	L652-Q697 HydrophobicContact CB-CB 4.43Å; L690-Q697 PolarHBondContact O-NE2 2.92Å; L693-Q697 VanDerWaalsContact CB-OE1 3.24Å; W694-Q697 HydrophobicContact CB-CB 4.35Å; W694-Q697 VanDerWaalsContact O-CG 3.3Å; W694-Q697 WeakPolarHBondContact O-CG 3.49Å; W694-Q697 PolarHBondContact O-OE1 2.94Å
698	A	96.7	Very high	96.5	Very high	18 Å²	18	50.2 Å²	50.2	15%	0.149	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-65.8	156.9	163.7	0	0	0	0	0	111.5	L652 V656	L652-A698 HydrophobicContact CD2-CB 4.29Å; L652-A698 WeakPolarHBondContact CD2-O 3.3Å; L652-A698 PolarHBondContact O-N 2.93Å; V656-A698 WeakPolarHBondContact O-CB 3.2Å
699	K	94.7	Very high	96.5	Very high	117 Å²	117	49.9 Å²	49.9	51%	0.509	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-68.5	139.4	176.2	-173.6	163.5	175.1	-178.2	0	110	F384 L652 H657	F384-K699 HydrophobicContact CE2-CD 3.7Å; F384-K699 HydrophobicContact CE2-CG 4.41Å; F384-K699 HydrophobicContact CZ-CB 4.14Å; F384-K699 HydrophobicContact CZ-CD 3.76Å; F384-K699 HydrophobicContact CZ-CG 4.13Å; L652-K699 VanDerWaalsContact CD2-O 3.26Å; L652-K699 WeakPolarHBondContact CD2-O 3.38Å; H657-K699 PolarHBondContact CD2-O 2.88Å
700	Y	98	Very high	96.7	Very high	3 Å²	3	51.5 Å²	51.5	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.8	166.1	177	-130.6	0	0	0	109.4	F648 L652 V658 L660 H675 V688 L690 N691 V702	F648-Y700 AromaticContact CD2-CE2 3.97Å; F648-Y700 HydrophobicContact CD2-CE2 3.97Å; F648-Y700 HydrophobicContact CE2-CE2 4.36Å; L652-Y700 HydrophobicContact CD1-CG 4.24Å; V658-Y700 HydrophobicContact CB-CD2 3.87Å; V658-Y700 HydrophobicContact CB-CE2 4.26Å; V658-Y700 HydrophobicContact CG1-CD2 4.03Å; V658-Y700 HydrophobicContact CG1-CE2 3.89Å; V658-Y700 VanDerWaalsContact O-CD2 3.27Å; V658-Y700 WeakPolarHBondContact O-CD2 3.29Å; L660-Y700 HydrophobicContact CB-CE2 4.31Å; L660-Y700 WeakPolarHBondContact CD2-OH 3.26Å; H675-Y700 HydrophobicContact CB-CE1 4.21Å; H675-Y700 AromaticContact ND1-CE1 3.67Å; H675-Y700 AromaticContact ND1-CZ 3.54Å; H675-Y700 PolarHBondContact ND1-OH 2.89Å; V688-Y700 HydrophobicContact CG1-CD1 3.84Å; V688-Y700 HydrophobicContact CG1-CE1 4.28Å; L690-Y700 HydrophobicContact CB-CD1 3.63Å; L690-Y700 HydrophobicContact CB-CE1 4.14Å; L690-Y700 HydrophobicContact CB-CG 4.26Å; L690-Y700 HydrophobicContact CD1-CD1 4.03Å; L690-Y700 HydrophobicContact CD1-CE1 3.73Å; L690-Y700 HydrophobicContact CG-CD1 4.46Å; N691-Y700 PolarHBondContact ND2-O 3.41Å; N691-Y700 WeakPolarHBondContact OD1-CA 3.37Å; N691-Y700 VanDerWaalsContact OD1-CB 3.32Å; N691-Y700 WeakPolarHBondContact OD1-CB 3.39Å; N691-Y700 PolarHBondContact OD1-N 3.02Å; N691-Y700 PolarHBondContact OD1-O 3.35Å; Y700-V702 HydrophobicContact CD1-CB 4.45Å; Y700-V702 HydrophobicContact CD1-CG1 4.34Å; Y700-V702 HydrophobicContact CE1-CB 3.67Å; Y700-V702 HydrophobicContact CE1-CG1 3.78Å; Y700-V702 HydrophobicContact CE2-CB 4.4Å
701	T	97.7	Very high	96.7	Very high	22 Å²	22	51.5 Å²	51.5	14%	0.135	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	105.3	176.9	-54.5	0	0	0	0	108.9	H657 V658 R659 L660	H657-T701 PolarHBondContact NE2-OG1 3.48Å; V658-T701 PolarHBondContact O-N 2.95Å; R659-T701 CarbonylContact C-O 3.43Å; R659-T701 VanDerWaalsContact CA-O 3.24Å; R659-T701 WeakPolarHBondContact CA-O 3.45Å; R659-T701 HydrophobicContact CG-CG2 4.35Å; L660-T701 PolarHBondContact N-O 2.81Å
702	V	97.7	Very high	96.8	Very high	20 Å²	20	48.8 Å²	48.8	12%	0.121	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.1	168.1	61.5	0	0	0	0	108.5	L660 V665 E666 V676 V688 Y700	L660-V702 HydrophobicContact CB-CG2 4.36Å; L660-V702 HydrophobicContact CD2-CG2 4.17Å; L660-V702 HydrophobicContact CG-CG2 4.4Å; L660-V702 WeakPolarHBondContact O-CA 3.32Å; V665-V702 HydrophobicContact CG2-CG2 4.1Å; E666-V702 HydrophobicContact CG-CG1 4.37Å; E666-V702 HydrophobicContact CG-CG2 3.87Å; V676-V702 HydrophobicContact CG2-CG1 3.58Å; V688-V702 HydrophobicContact CG1-CG1 4.33Å; Y700-V702 HydrophobicContact CD1-CB 4.45Å; Y700-V702 HydrophobicContact CD1-CG1 4.34Å; Y700-V702 HydrophobicContact CE1-CB 3.67Å; Y700-V702 HydrophobicContact CE1-CG1 3.78Å; Y700-V702 HydrophobicContact CE2-CB 4.4Å
703	C	95.6	Very high	97	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	127.6	-178.8	52.3	0	0	0	0	111.5	A422 L660 V665 S705	A422-C703 HydrophobicContact CB-CB 3.33Å; L660-C703 PolarHBondContact O-N 3.31Å; V665-C703 VanDerWaalsContact CG2-O 3.23Å; V665-C703 WeakPolarHBondContact CG2-O 3.41Å; C703-S705 PolarHBondContact O-N 2.67Å
704	N	97.9	Very high	97	Very high	63 Å²	63	43.9 Å²	43.9	34%	0.337	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	128.6	164.6	-64.1	-35	0	0	0	109.7	G662 D664 V665 E666	G662-N704 CarbonylContact O-C 3.11Å; G662-N704 WeakPolarHBondContact O-CA 3.22Å; D664-N704 VanDerWaalsContact CA-OD1 3.23Å; D664-N704 WeakPolarHBondContact CA-OD1 3.29Å; V665-N704 PolarHBondContact N-OD1 3.36Å; E666-N704 WeakPolarHBondContact CB-OD1 3.42Å; E666-N704 WeakPolarHBondContact CG-OD1 3.43Å; E666-N704 PolarHBondContact N-OD1 3.23Å; E666-N704 PolarHBondContact OE1-N 3.44Å; E666-N704 PolarHBondContact OE1-ND2 3.34Å; E666-N704 PolarHBondContact OE2-ND2 3.36Å; E666-N704 VanDerWaalsContact OE2-ND2 3.14Å
705	S	98.1	Very high	97.2	Very high	18 Å²	18	41.3 Å²	41.3	13%	0.126	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-80	165.6	174.3	73.8	0	0	0	0	111.8	Y423 G662 Q663 C703	Y423-S705 WeakPolarHBondContact OH-CA 3.44Å; Y423-S705 WeakPolarHBondContact OH-CB 3.44Å; G662-S705 PolarHBondContact O-N 2.78Å; G662-S705 PolarHBondContact O-OG 3.32Å; Q663-S705 PolarHBondContact N-OG 3.26Å; C703-S705 PolarHBondContact O-N 2.67Å
706	S	95.8	Very high	97.4	Very high	24 Å²	24	34.7 Å²	34.7	17%	0.168	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-65.9	171.4	158.4	62.3	0	0	0	0	110.3	D416 S708	D416-S706 WeakPolarHBondContact OD2-CB 3.45Å; D416-S706 PolarHBondContact OD2-OG 3.25Å; S706-S708 PolarHBondContact O-N 2.88Å
707	L	97.7	Very high	97.7	Very high	153 Å²	153	26 Å²	26	80%	0.801	14%	0.138	S	C	*	.	S	Bend	trans	-80	62.9	-178.2	-150.5	163.1	0	0	0	110.1
708	S	97.8	Very high	97.7	Very high	7 Å²	7	24.5 Å²	24.5	5%	0.049	13%	0.131	C	C	.	.			trans	-136.4	132.4	-179.5	155.6	0	0	0	0	108.5	E413 S706 G711 V712	E413-S708 WeakPolarHBondContact OE2-CB 3.25Å; E413-S708 PolarHBondContact OE2-OG 3.21Å; S706-S708 PolarHBondContact O-N 2.88Å; S708-G711 PolarHBondContact OG-N 2.99Å; S708-V712 VanDerWaalsContact O-CB 3.32Å; S708-V712 WeakPolarHBondContact O-CB 3.19Å; S708-V712 WeakPolarHBondContact O-CG2 3.48Å; S708-V712 PolarHBondContact OG-N 2.86Å
709	E	98.7	Very high	97.8	Very high	17 Å²	17	23.8 Å²	23.8	8%	0.079	12%	0.124	C	C	.	.	S	Bend	trans	-100.6	-41.5	167.3	-62.2	78.5	-155.7	0	0	111.7	Q663 L713 W730 F737 N740 A741	Q663-E709 PolarHBondContact NE2-OE1 3.11Å; E709-L713 VanDerWaalsContact O-CB 3.23Å; E709-L713 WeakPolarHBondContact O-CB 3.32Å; E709-L713 PolarHBondContact O-N 2.95Å; E709-W730 HydrophobicContact CB-CZ2 3.98Å; E709-W730 HydrophobicContact CG-CZ2 3.94Å; E709-F737 HydrophobicContact CG-CB 4.5Å; E709-N740 HydrophobicContact CB-CB 3.88Å; E709-N740 HydrophobicContact CG-CB 4.27Å; E709-N740 WeakPolarHBondContact OE2-CB 3.44Å; E709-N740 PolarHBondContact OE2-ND2 3.05Å; E709-A741 HydrophobicContact CB-CB 4.14Å
710	F	98.5	Very high	97.9	Very high	37 Å²	37	18.4 Å²	18.4	16%	0.162	10%	0.102	C	C	.	.	H	α-helix	trans	-65.6	-55.1	-173.3	-169.1	-173.4	0	0	0	111	A370 I410 G714 C743 I744	A370-F710 HydrophobicContact CB-CZ 4.38Å; I410-F710 HydrophobicContact CB-CD1 3.95Å; I410-F710 HydrophobicContact CB-CE1 3.83Å; I410-F710 HydrophobicContact CB-CZ 4.33Å; I410-F710 HydrophobicContact CD1-CD1 3.98Å; I410-F710 HydrophobicContact CD1-CD2 3.56Å; I410-F710 HydrophobicContact CD1-CE1 3.8Å; I410-F710 HydrophobicContact CD1-CE2 3.35Å; I410-F710 HydrophobicContact CD1-CG 3.88Å; I410-F710 HydrophobicContact CD1-CZ 3.49Å; I410-F710 VanDerWaalsContact CD1-CZ 3.49Å; I410-F710 HydrophobicContact CG1-CD1 4.12Å; I410-F710 HydrophobicContact CG1-CD2 4.4Å; I410-F710 HydrophobicContact CG1-CE1 4.21Å; I410-F710 HydrophobicContact CG1-CE2 4.46Å; I410-F710 HydrophobicContact CG1-CG 4.23Å; I410-F710 HydrophobicContact CG1-CZ 4.38Å; I410-F710 HydrophobicContact CG2-CE1 4.45Å; F710-G714 PolarHBondContact O-N 2.91Å; F710-C743 HydrophobicContact CE2-CB 3.67Å; F710-C743 HydrophobicContact CZ-CB 3.63Å; F710-I744 HydrophobicContact CD2-CD1 4.13Å; F710-I744 HydrophobicContact CD2-CG1 3.64Å; F710-I744 HydrophobicContact CE2-CD1 3.79Å; F710-I744 HydrophobicContact CE2-CG1 3.7Å
711	G	98.4	Very high	97.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.6	-50.3	174.4	0	0	0	0	0	112.2	P373 E413 F417 S708 L713 G714 F715	P373-G711 WeakPolarHBondContact CB-O 3.47Å; E413-G711 PolarHBondContact OE2-N 3.47Å; F417-G711 VanDerWaalsContact CZ-C 3.42Å; S708-G711 PolarHBondContact OG-N 2.99Å; G711-L713 PolarHBondContact O-N 2.89Å; G711-G714 PolarHBondContact O-N 2.73Å; G711-F715 PolarHBondContact O-N 2.68Å
712	V	98.7	Very high	97.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.3	-44.1	-173	176.6	0	0	0	0	111.6	F417 Y423 S708 G714 F715 E716	F417-V712 HydrophobicContact CE1-CG2 3.96Å; F417-V712 HydrophobicContact CZ-CG2 4.16Å; Y423-V712 HydrophobicContact CE1-CG1 4.21Å; S708-V712 VanDerWaalsContact O-CB 3.32Å; S708-V712 WeakPolarHBondContact O-CB 3.19Å; S708-V712 WeakPolarHBondContact O-CG2 3.48Å; S708-V712 PolarHBondContact OG-N 2.86Å; V712-G714 VanDerWaalsContact C-N 3.33Å; V712-G714 PolarHBondContact O-N 2.89Å; V712-F715 WeakPolarHBondContact O-CB 3.3Å; V712-F715 PolarHBondContact O-N 3.03Å; V712-E716 WeakPolarHBondContact O-CG 3.47Å; V712-E716 PolarHBondContact O-N 3.28Å
713	L	98.8	Very high	97.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.3	-39.4	177	-178	59.4	0	0	0	111.3	E709 G711 F715 E716 V717 W730 A741 I744 F745 I749	E709-L713 VanDerWaalsContact O-CB 3.23Å; E709-L713 WeakPolarHBondContact O-CB 3.32Å; E709-L713 PolarHBondContact O-N 2.95Å; G711-L713 PolarHBondContact O-N 2.89Å; L713-F715 VanDerWaalsContact C-N 3.28Å; L713-F715 PolarHBondContact O-N 2.7Å; L713-E716 PolarHBondContact O-N 3.18Å; L713-V717 HydrophobicContact CD1-CG2 4.49Å; L713-V717 WeakPolarHBondContact O-CG2 3.43Å; L713-V717 PolarHBondContact O-N 2.86Å; L713-W730 HydrophobicContact CB-CD2 4.29Å; L713-W730 HydrophobicContact CD1-CB 3.89Å; L713-W730 HydrophobicContact CD1-CD2 3.77Å; L713-W730 HydrophobicContact CD1-CE3 3.85Å; L713-W730 HydrophobicContact CD1-CG 3.8Å; L713-W730 HydrophobicContact CD2-CE3 4.43Å; L713-W730 HydrophobicContact CD2-CZ3 4.42Å; L713-W730 HydrophobicContact CG-CD2 4.47Å; L713-A741 HydrophobicContact CB-CB 4.03Å; L713-A741 HydrophobicContact CD2-CB 3.65Å; L713-A741 HydrophobicContact CG-CB 4.46Å; L713-I744 HydrophobicContact CD2-CB 4.18Å; L713-I744 HydrophobicContact CD2-CG2 4.09Å; L713-I744 HydrophobicContact CG-CB 4.3Å; L713-I744 HydrophobicContact CG-CG2 3.83Å; L713-F745 HydrophobicContact CD2-CD1 4.3Å; L713-F745 HydrophobicContact CD2-CD2 3.83Å; L713-F745 HydrophobicContact CD2-CE1 3.9Å; L713-F745 HydrophobicContact CD2-CE2 3.37Å; L713-F745 HydrophobicContact CD2-CG 4.27Å; L713-F745 HydrophobicContact CD2-CZ 3.42Å; L713-F745 VanDerWaalsContact CD2-CZ 3.42Å; L713-I749 HydrophobicContact CD1-CD1 4.05Å; L713-I749 HydrophobicContact CD2-CD1 3.91Å; L713-I749 HydrophobicContact CG-CD1 4.13Å
714	G	98.6	Very high	97.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-56.2	-44.4	172.4	0	0	0	0	0	111.9	V374 F710 G711 V712 V717 G718	V374-G714 VanDerWaalsContact CA-O 3.28Å; V374-G714 WeakPolarHBondContact CA-O 2.94Å; V374-G714 WeakPolarHBondContact CG2-O 3.34Å; F710-G714 PolarHBondContact O-N 2.91Å; G711-G714 PolarHBondContact O-N 2.73Å; V712-G714 VanDerWaalsContact C-N 3.33Å; V712-G714 PolarHBondContact O-N 2.89Å; G714-V717 PolarHBondContact O-N 2.83Å; G714-G718 PolarHBondContact O-N 3.35Å
715	F	98.8	Very high	97.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.5	-48.7	175.3	-169.9	-78	0	0	0	112.2	P373 Q376 G377 R380 F417 Y423 G711 V712 L713 V717 G718 F719	P373-F715 VanDerWaalsContact O-CA 3.26Å; P373-F715 WeakPolarHBondContact O-CA 3.36Å; Q376-F715 HydrophobicContact CB-CD2 3.75Å; Q376-F715 HydrophobicContact CB-CE2 3.83Å; G377-F715 WeakPolarHBondContact CA-O 3.25Å; R380-F715 HydrophobicContact CB-CE1 4.14Å; R380-F715 HydrophobicContact CB-CE2 4.22Å; R380-F715 HydrophobicContact CB-CZ 3.43Å; R380-F715 VanDerWaalsContact CB-CZ 3.43Å; R380-F715 HydrophobicContact CG-CE1 4.27Å; R380-F715 HydrophobicContact CG-CZ 3.72Å; F417-F715 HydrophobicContact CD2-CD2 4.04Å; F417-F715 HydrophobicContact CE2-CB 4.34Å; F417-F715 HydrophobicContact CE2-CD2 4.22Å; Y423-F715 AromaticContact CD1-CD1 3.81Å; Y423-F715 HydrophobicContact CD1-CD1 3.81Å; Y423-F715 HydrophobicContact CD1-CD2 4.13Å; Y423-F715 AromaticContact CD1-CE1 3.87Å; Y423-F715 HydrophobicContact CD1-CE1 3.87Å; Y423-F715 HydrophobicContact CD1-CE2 4.17Å; Y423-F715 AromaticContact CD1-CG 3.95Å; Y423-F715 HydrophobicContact CD1-CG 3.95Å; Y423-F715 HydrophobicContact CD1-CZ 4.03Å; Y423-F715 HydrophobicContact CE1-CD1 4.22Å; Y423-F715 HydrophobicContact CE1-CE1 4.49Å; Y423-F715 WeakPolarHBondContact O-CE2 3.42Å; Y423-F715 WeakPolarHBondContact O-CZ 3.23Å; G711-F715 PolarHBondContact O-N 2.68Å; V712-F715 WeakPolarHBondContact O-CB 3.3Å; V712-F715 PolarHBondContact O-N 3.03Å; L713-F715 VanDerWaalsContact C-N 3.28Å; L713-F715 PolarHBondContact O-N 2.7Å; F715-V717 VanDerWaalsContact C-N 3.31Å; F715-V717 PolarHBondContact O-N 3.01Å; F715-G718 WeakPolarHBondContact O-CA 3.35Å; F715-G718 PolarHBondContact O-N 3.35Å; F715-G718 VanDerWaalsContact O-N 3.13Å; F715-F719 HydrophobicContact CE1-CD2 4.15Å; F715-F719 PolarHBondContact O-N 2.86Å
716	E	98.7	Very high	97	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.4	-31.6	-178.9	-59.5	-49.1	146.9	0	0	112.8	R659 S661 V712 L713 F719 S720 V728 W730 I762	R659-E716 WeakPolarHBondContact CD-OE2 3.39Å; R659-E716 IonicContact CZ-OE1 2.74Å; R659-E716 IonicContact CZ-OE2 3.15Å; R659-E716 IonicContact NE-OE1 2.76Å; R659-E716 PolarHBondContact NE-OE1 2.98Å; R659-E716 IonicContact NE-OE2 3.35Å; R659-E716 PolarHBondContact NE-OE2 3.34Å; R659-E716 IonicContact NH2-OE1 2.78Å; R659-E716 PolarHBondContact NH2-OE1 3.42Å; R659-E716 IonicContact NH2-OE2 3.73Å; S661-E716 WeakPolarHBondContact CB-OE1 3.34Å; S661-E716 VanDerWaalsContact OG-CD 3.32Å; S661-E716 PolarHBondContact OG-OE1 2.76Å; V712-E716 WeakPolarHBondContact O-CG 3.47Å; V712-E716 PolarHBondContact O-N 3.28Å; L713-E716 PolarHBondContact O-N 3.18Å; E716-F719 PolarHBondContact O-N 3Å; E716-S720 WeakPolarHBondContact O-CB 3.36Å; E716-S720 PolarHBondContact O-N 3.31Å; E716-S720 PolarHBondContact O-OG 3.24Å; E716-V728 HydrophobicContact CB-CG1 4.18Å; E716-W730 HydrophobicContact CB-CB 4.35Å; E716-W730 HydrophobicContact CG-CB 4.23Å; E716-I762 HydrophobicContact CB-CD1 3.71Å
717	V	98.3	Very high	97.1	Very high	10 Å²	10	17.9 Å²	17.9	6%	0.061	10%	0.096	C	C	.	.	H	α-helix	trans	-63.9	-42.7	170.5	170.3	0	0	0	0	111.3	V374 L713 G714 F715 F719 S720 S721 I744 F748 I749 I762	V374-V717 HydrophobicContact CG1-CG1 4.47Å; L713-V717 HydrophobicContact CD1-CG2 4.49Å; L713-V717 WeakPolarHBondContact O-CG2 3.43Å; L713-V717 PolarHBondContact O-N 2.86Å; G714-V717 PolarHBondContact O-N 2.83Å; F715-V717 VanDerWaalsContact C-N 3.31Å; F715-V717 PolarHBondContact O-N 3.01Å; V717-F719 VanDerWaalsContact C-N 3.3Å; V717-F719 PolarHBondContact O-N 3.46Å; V717-S720 PolarHBondContact O-N 3.36Å; V717-S720 PolarHBondContact O-OG 3.44Å; V717-S721 WeakPolarHBondContact O-CB 3.49Å; V717-S721 PolarHBondContact O-N 3.31Å; V717-S721 VanDerWaalsContact O-N 3.1Å; V717-I744 HydrophobicContact CG2-CG2 3.77Å; V717-F748 HydrophobicContact CG1-CB 4.12Å; V717-I749 HydrophobicContact CG2-CD1 3.85Å; V717-I749 HydrophobicContact CG2-CG1 3.68Å; V717-I762 HydrophobicContact CG2-CG1 4.46Å
718	G	97.6	Very high	97.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-57.5	-45.1	172	0	0	0	0	0	112.2	V374 K378 G714 F715 S721 T722	V374-G718 WeakPolarHBondContact O-CA 2.92Å; K378-G718 WeakPolarHBondContact CA-O 3.27Å; G714-G718 PolarHBondContact O-N 3.35Å; F715-G718 WeakPolarHBondContact O-CA 3.35Å; F715-G718 PolarHBondContact O-N 3.35Å; F715-G718 VanDerWaalsContact O-N 3.13Å; G718-S721 PolarHBondContact O-N 2.93Å; G718-S721 PolarHBondContact O-OG 3.3Å; G718-T722 PolarHBondContact O-OG1 3.43Å
719	F	97.6	Very high	97.2	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.009	6%	0.056	C	C	.	.	H	α-helix	trans	-64.8	-45.8	180	-155.6	-71.8	0	0	0	112.1	R380 A381 F384 Y385 H657 F715 E716 V717 S721 T722 V728	R380-F719 HydrophobicContact CB-CD2 4.39Å; R380-F719 HydrophobicContact CB-CE2 4.41Å; R380-F719 HydrophobicContact CG-CD2 4.36Å; R380-F719 HydrophobicContact CG-CE2 4Å; A381-F719 HydrophobicContact CB-CB 4.4Å; A381-F719 HydrophobicContact CB-CD1 3.94Å; A381-F719 HydrophobicContact CB-CD2 3.76Å; A381-F719 HydrophobicContact CB-CE1 4.08Å; A381-F719 HydrophobicContact CB-CE2 3.9Å; A381-F719 HydrophobicContact CB-CG 3.78Å; A381-F719 HydrophobicContact CB-CZ 4.06Å; F384-F719 HydrophobicContact CB-CZ 4.35Å; F384-F719 HydrophobicContact CD1-CZ 4.46Å; F384-F719 HydrophobicContact CG-CZ 4.37Å; Y385-F719 HydrophobicContact CE2-CE1 4.1Å; H657-F719 AromaticContact CE1-CE1 3.71Å; H657-F719 AromaticContact CE1-CZ 3.79Å; F715-F719 HydrophobicContact CE1-CD2 4.15Å; F715-F719 PolarHBondContact O-N 2.86Å; E716-F719 PolarHBondContact O-N 3Å; V717-F719 VanDerWaalsContact C-N 3.3Å; V717-F719 PolarHBondContact O-N 3.46Å; F719-S721 VanDerWaalsContact C-N 3.25Å; F719-S721 PolarHBondContact O-N 3.27Å; F719-T722 PolarHBondContact O-N 3.45Å; F719-V728 HydrophobicContact CB-CG1 4.39Å; F719-V728 HydrophobicContact CD1-CG2 3.82Å
720	S	97.2	Very high	97.2	Very high	5 Å²	5	9.7 Å²	9.7	4%	0.035	5%	0.053	C	C	.	.	H	α-helix	trans	-65.9	-26.4	179.7	72.9	0	0	0	0	113.3	E716 V717 T722 S760	E716-S720 WeakPolarHBondContact O-CB 3.36Å; E716-S720 PolarHBondContact O-N 3.31Å; E716-S720 PolarHBondContact O-OG 3.24Å; V717-S720 PolarHBondContact O-N 3.36Å; V717-S720 PolarHBondContact O-OG 3.44Å; S720-T722 PolarHBondContact O-N 3.06Å; S720-S760 PolarHBondContact OG-OG 3.19Å
721	S	93.2	Very high	97.3	Very high	6 Å²	6	8.3 Å²	8.3	4%	0.042	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-11.2	178.4	78.9	0	0	0	0	114.4	S578 W580 V717 G718 F719	S578-S721 WeakPolarHBondContact CB-O 3.45Å; S578-S721 PolarHBondContact OG-O 3.08Å; W580-S721 VanDerWaalsContact CZ2-O 3.22Å; W580-S721 WeakPolarHBondContact CZ2-O 3.32Å; W580-S721 PolarHBondContact NE1-O 3Å; V717-S721 WeakPolarHBondContact O-CB 3.49Å; V717-S721 PolarHBondContact O-N 3.31Å; V717-S721 VanDerWaalsContact O-N 3.1Å; G718-S721 PolarHBondContact O-N 2.93Å; G718-S721 PolarHBondContact O-OG 3.3Å; F719-S721 VanDerWaalsContact C-N 3.25Å; F719-S721 PolarHBondContact O-N 3.27Å
722	T	93.1	Very high	97.3	Very high	17 Å²	17	8.4 Å²	8.4	10%	0.104	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-50.7	-172.7	-57.9	0	0	0	0	112.2	A381 E382 Y385 W580 G718 F719 S720	A381-T722 HydrophobicContact CB-CG2 3.77Å; A381-T722 WeakPolarHBondContact CB-OG1 3.21Å; E382-T722 HydrophobicContact CG-CG2 3.89Å; Y385-T722 HydrophobicContact CD2-CG2 4.33Å; W580-T722 PolarHBondContact NE1-O 3.27Å; G718-T722 PolarHBondContact O-OG1 3.43Å; F719-T722 PolarHBondContact O-N 3.45Å; S720-T722 PolarHBondContact O-N 3.06Å
723	N	93.2	Very high	97.3	Very high	37 Å²	37	11 Å²	11	20%	0.198	6%	0.06	C	C	.	.			trans	-118.9	113.7	-178.3	-174.5	-11.8	0	0	0	110.9	Y385 N725 A726	Y385-N723 WeakPolarHBondContact CD1-ND2 3.37Å; Y385-N723 HydrophobicContact CD2-CB 3.87Å; Y385-N723 HydrophobicContact CE1-CB 4.16Å; Y385-N723 WeakPolarHBondContact CE1-ND2 3.32Å; Y385-N723 HydrophobicContact CE2-CB 3.3Å; Y385-N723 VanDerWaalsContact CZ-CB 3.47Å; Y385-N723 VanDerWaalsContact CZ-ND2 3.34Å; N723-N725 PolarHBondContact O-N 3.06Å; N723-N725 PolarHBondContact OD1-N 3.44Å; N723-N725 PolarHBondContact OD1-ND2 2.85Å; N723-A726 HydrophobicContact CB-CB 4.41Å; N723-A726 PolarHBondContact O-N 3.02Å
724	P	94.6	Very high	97.2	Very high	11 Å²	11	11.8 Å²	11.8	7%	0.071	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-21.7	179.7	27.7	-31.7	0	0	0	112	W580 F583 A726 R837	W580-P724 HydrophobicContact CB-CG 4.39Å; W580-P724 HydrophobicContact CD2-CB 3.71Å; W580-P724 HydrophobicContact CD2-CG 3.78Å; W580-P724 HydrophobicContact CE3-CB 3.62Å; W580-P724 HydrophobicContact CE3-CG 4.17Å; W580-P724 HydrophobicContact CG-CB 4.36Å; W580-P724 HydrophobicContact CG-CG 3.91Å; W580-P724 HydrophobicContact CH2-CB 3.93Å; W580-P724 HydrophobicContact CZ2-CB 4Å; W580-P724 HydrophobicContact CZ2-CG 4.49Å; W580-P724 HydrophobicContact CZ3-CB 3.74Å; F583-P724 HydrophobicContact CB-CB 4.46Å; F583-P724 HydrophobicContact CB-CG 3.83Å; F583-P724 HydrophobicContact CD1-CB 4.13Å; F583-P724 HydrophobicContact CD1-CG 4.4Å; F583-P724 HydrophobicContact CD2-CB 3.61Å; F583-P724 HydrophobicContact CD2-CG 3.54Å; F583-P724 HydrophobicContact CE1-CB 4.33Å; F583-P724 HydrophobicContact CE2-CB 3.86Å; F583-P724 HydrophobicContact CE2-CG 4.28Å; F583-P724 HydrophobicContact CG-CB 3.79Å; F583-P724 HydrophobicContact CG-CG 3.65Å; F583-P724 HydrophobicContact CZ-CB 4.23Å; P724-A726 VanDerWaalsContact C-N 3.26Å; P724-A726 PolarHBondContact O-N 3.33Å; P724-R837 HydrophobicContact CB-CG 4.4Å; P724-R837 PolarHBondContact O-NE 2.91Å; P724-R837 PolarHBondContact O-NH2 3.08Å
725	N	94.9	Very high	97.2	Very high	64 Å²	64	11.8 Å²	11.8	34%	0.342	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	3.7	-176.5	-52.4	-75.5	0	0	0	113.2	R587 V656 N723	R587-N725 PolarHBondContact NH2-OD1 3.36Å; R587-N725 VanDerWaalsContact NH2-OD1 3.1Å; V656-N725 WeakPolarHBondContact CG1-O 3.45Å; N723-N725 PolarHBondContact O-N 3.06Å; N723-N725 PolarHBondContact OD1-N 3.44Å; N723-N725 PolarHBondContact OD1-ND2 2.85Å
726	A	97	Very high	97.2	Very high	7 Å²	7	12.1 Å²	12.1	6%	0.058	7%	0.066	C	C	.	.	S	Bend	trans	-99.5	150.4	179.9	0	0	0	0	0	112.6	Y385 H657 N723 P724 V728	Y385-A726 WeakPolarHBondContact OH-CB 3.43Å; H657-A726 HydrophobicContact CB-CB 4.27Å; H657-A726 WeakPolarHBondContact O-CA 3.36Å; N723-A726 HydrophobicContact CB-CB 4.41Å; N723-A726 PolarHBondContact O-N 3.02Å; P724-A726 VanDerWaalsContact C-N 3.26Å; P724-A726 PolarHBondContact O-N 3.33Å; A726-V728 HydrophobicContact CB-CG2 4.37Å
727	L	98.6	Very high	97.2	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.01	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	106.3	168.2	-178.4	64	0	0	0	108.7	F648 L651 H657 V658 R659 I729 V763 L828 Q831 V832	F648-L727 HydrophobicContact CD1-CD2 4.33Å; F648-L727 HydrophobicContact CE1-CD2 4.28Å; L651-L727 HydrophobicContact CD1-CB 4.43Å; L651-L727 HydrophobicContact CD1-CD2 3.56Å; H657-L727 PolarHBondContact O-N 3.26Å; V658-L727 CarbonylContact C-O 3.54Å; V658-L727 WeakPolarHBondContact CA-O 3.45Å; V658-L727 HydrophobicContact CG1-CB 4.4Å; V658-L727 HydrophobicContact CG1-CD2 4.14Å; V658-L727 HydrophobicContact CG1-CG 4.42Å; V658-L727 HydrophobicContact CG2-CB 4.23Å; V658-L727 HydrophobicContact CG2-CD2 4.39Å; R659-L727 PolarHBondContact N-O 3.45Å; L727-I729 HydrophobicContact CD1-CG1 4.39Å; L727-I729 HydrophobicContact CD2-CD1 3.92Å; L727-I729 HydrophobicContact CD2-CG1 4.43Å; L727-I729 HydrophobicContact CG-CD1 3.97Å; L727-I729 HydrophobicContact CG-CG1 3.92Å; L727-V763 HydrophobicContact CD1-CG2 3.69Å; L727-L828 HydrophobicContact CD2-CB 4.39Å; L727-L828 HydrophobicContact CD2-CD2 4.5Å; L727-Q831 HydrophobicContact CD1-CB 4.19Å; L727-V832 HydrophobicContact CB-CG2 3.87Å; L727-V832 HydrophobicContact CD1-CG2 4.27Å
728	V	98.7	Very high	97.2	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.006	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.1	179	-175.3	0	0	0	0	109	E716 F719 A726 I762 V763	E716-V728 HydrophobicContact CB-CG1 4.18Å; F719-V728 HydrophobicContact CB-CG1 4.39Å; F719-V728 HydrophobicContact CD1-CG2 3.82Å; A726-V728 HydrophobicContact CB-CG2 4.37Å; V728-I762 HydrophobicContact CB-CD1 4.28Å; V728-I762 HydrophobicContact CG1-CD1 3.81Å; V728-V763 PolarHBondContact O-N 3.44Å
729	I	98.9	Very high	97.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128	-170	-47.4	173.4	0	0	0	109.1	F648 V658 R659 L660 S661 L727 V763 L765	F648-I729 HydrophobicContact CD1-CD1 4.46Å; F648-I729 HydrophobicContact CE1-CD1 3.42Å; F648-I729 VanDerWaalsContact CE1-CD1 3.42Å; F648-I729 HydrophobicContact CE2-CD1 4.42Å; F648-I729 HydrophobicContact CZ-CD1 3.41Å; F648-I729 VanDerWaalsContact CZ-CD1 3.41Å; V658-I729 HydrophobicContact CG1-CD1 4.22Å; R659-I729 WeakPolarHBondContact O-CB 3.26Å; R659-I729 PolarHBondContact O-N 2.81Å; L660-I729 HydrophobicContact CD1-CB 3.91Å; L660-I729 HydrophobicContact CD1-CG2 3.67Å; S661-I729 PolarHBondContact N-O 2.72Å; L727-I729 HydrophobicContact CD1-CG1 4.39Å; L727-I729 HydrophobicContact CD2-CD1 3.92Å; L727-I729 HydrophobicContact CD2-CG1 4.43Å; L727-I729 HydrophobicContact CG-CD1 3.97Å; L727-I729 HydrophobicContact CG-CG1 3.92Å; I729-V763 CarbonylContact C-O 3.52Å; I729-V763 WeakPolarHBondContact CA-O 3.36Å; I729-V763 HydrophobicContact CB-CB 4.44Å; I729-V763 HydrophobicContact CG1-CB 4.17Å; I729-V763 HydrophobicContact CG2-CB 4.23Å; I729-V763 HydrophobicContact CG2-CG1 4.3Å; I729-L765 HydrophobicContact CG2-CD1 3.6Å; I729-L765 HydrophobicContact CG2-CD2 4.37Å; I729-L765 HydrophobicContact CG2-CG 3.61Å
730	W	98.9	Very high	97.3	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.015	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.6	166.5	177.4	77.8	0	0	0	109.5	S661 E709 L713 E716 A732 A738 F745 I762 V763 C764 L765 L766	S661-W730 CarbonylContact O-C 3.22Å; S661-W730 VanDerWaalsContact O-CA 3.29Å; S661-W730 WeakPolarHBondContact O-CA 3.37Å; E709-W730 HydrophobicContact CB-CZ2 3.98Å; E709-W730 HydrophobicContact CG-CZ2 3.94Å; L713-W730 HydrophobicContact CB-CD2 4.29Å; L713-W730 HydrophobicContact CD1-CB 3.89Å; L713-W730 HydrophobicContact CD1-CD2 3.77Å; L713-W730 HydrophobicContact CD1-CE3 3.85Å; L713-W730 HydrophobicContact CD1-CG 3.8Å; L713-W730 HydrophobicContact CD2-CE3 4.43Å; L713-W730 HydrophobicContact CD2-CZ3 4.42Å; L713-W730 HydrophobicContact CG-CD2 4.47Å; E716-W730 HydrophobicContact CB-CB 4.35Å; E716-W730 HydrophobicContact CG-CB 4.23Å; W730-A732 HydrophobicContact CH2-CB 3.6Å; W730-A732 HydrophobicContact CZ2-CB 4.18Å; W730-A732 HydrophobicContact CZ3-CB 3.93Å; W730-A738 HydrophobicContact CH2-CB 4.36Å; W730-A738 HydrophobicContact CZ3-CB 4.49Å; W730-F745 HydrophobicContact CZ3-CE2 4.43Å; W730-F745 AromaticContact CZ3-CZ 3.99Å; W730-F745 HydrophobicContact CZ3-CZ 3.99Å; W730-I762 HydrophobicContact CB-CD1 4.49Å; W730-V763 PolarHBondContact N-O 3.45Å; W730-C764 HydrophobicContact CE3-CB 4.24Å; W730-C764 CarbonylContact O-C 3.39Å; W730-C764 WeakPolarHBondContact O-CA 3.45Å; W730-L765 PolarHBondContact O-N 2.97Å; W730-L766 HydrophobicContact CE3-CD2 4.48Å; W730-L766 HydrophobicContact CH2-CD2 4.5Å; W730-L766 HydrophobicContact CZ3-CD2 3.7Å
731	E	98.9	Very high	97.3	Very high	9 Å²	9	20.6 Å²	20.6	4%	0.042	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.9	175.7	-178.7	171.8	-106.5	0	0	110.7	L660 S661 V665 R673 L765	L660-E731 HydrophobicContact CD1-CB 4.31Å; S661-E731 PolarHBondContact O-N 3.5Å; V665-E731 HydrophobicContact CG1-CB 3.82Å; V665-E731 HydrophobicContact CG1-CG 4.39Å; R673-E731 IonicContact CZ-OE1 2.66Å; R673-E731 IonicContact CZ-OE2 3.06Å; R673-E731 IonicContact NH1-OE1 3.93Å; R673-E731 IonicContact NH1-OE2 2.58Å; R673-E731 PolarHBondContact NH1-OE2 2.8Å; R673-E731 IonicContact NH2-OE1 3.38Å; R673-E731 PolarHBondContact NH2-OE1 3.09Å; R673-E731 IonicContact NH2-OE2 3.59Å; R673-E731 PolarHBondContact NH2-OE2 3.08Å; E731-L765 WeakPolarHBondContact CA-O 3.36Å; E731-L765 HydrophobicContact CB-CB 3.96Å; E731-L765 HydrophobicContact CB-CD1 4.4Å; E731-L765 HydrophobicContact CG-CB 3.92Å
732	A	98.7	Very high	97.6	Very high	2 Å²	2	21.7 Å²	21.7	2%	0.017	11%	0.113	C	C	.	.			trans	-75.1	145.2	169.1	0	0	0	0	0	109.8	W730 F734 L765 L766 P767	W730-A732 HydrophobicContact CH2-CB 3.6Å; W730-A732 HydrophobicContact CZ2-CB 4.18Å; W730-A732 HydrophobicContact CZ3-CB 3.93Å; A732-F734 VanDerWaalsContact C-N 3.34Å; A732-F734 VanDerWaalsContact CB-O 3.32Å; A732-F734 WeakPolarHBondContact CB-O 3.3Å; A732-F734 PolarHBondContact O-N 2.91Å; A732-L765 PolarHBondContact N-O 3.49Å; A732-L766 HydrophobicContact CB-CD2 3.91Å; A732-P767 WeakPolarHBondContact O-CD 3.27Å; A732-P767 WeakPolarHBondContact O-CG 3.44Å
733	Q	98.2	Very high	97.8	Very high	54 Å²	54	22 Å²	22	25%	0.252	12%	0.116	S	C	.	.	S	Bend	trans	-61	-46.4	178.7	-168.1	-177.9	68.4	0	0	111.4	Q663 D664 T669 F737	Q663-Q733 HydrophobicContact CB-CB 4.33Å; D664-Q733 PolarHBondContact OD2-NE2 2.94Å; T669-Q733 HydrophobicContact CG2-CG 3.57Å; T669-Q733 PolarHBondContact OG1-O 2.77Å; Q733-F737 HydrophobicContact CB-CD2 4.18Å; Q733-F737 HydrophobicContact CB-CE2 4.36Å
734	F	98.5	Very high	98.1	Very high	16 Å²	16	20.3 Å²	20.3	7%	0.07	11%	0.107	C	C	.	.	S	Bend	trans	-128.5	147.1	159.7	-77.3	-102.6	0	0	0	107.5	T669 F670 A732 D736 F737 M773 H777 K846	T669-F734 HydrophobicContact CG2-CD2 4.49Å; T669-F734 HydrophobicContact CG2-CE2 3.98Å; F670-F734 AromaticContact CE1-CE1 3.87Å; F670-F734 HydrophobicContact CE1-CE1 3.87Å; F670-F734 HydrophobicContact CE1-CE2 4.33Å; F670-F734 AromaticContact CE1-CZ 3.63Å; F670-F734 HydrophobicContact CE1-CZ 3.63Å; F670-F734 HydrophobicContact CZ-CD1 4.38Å; F670-F734 AromaticContact CZ-CE1 3.94Å; F670-F734 HydrophobicContact CZ-CE1 3.94Å; F670-F734 HydrophobicContact CZ-CE2 4.38Å; F670-F734 AromaticContact CZ-CZ 3.94Å; F670-F734 HydrophobicContact CZ-CZ 3.94Å; A732-F734 VanDerWaalsContact C-N 3.34Å; A732-F734 VanDerWaalsContact CB-O 3.32Å; A732-F734 WeakPolarHBondContact CB-O 3.3Å; A732-F734 PolarHBondContact O-N 2.91Å; F734-D736 PolarHBondContact O-N 3.21Å; F734-D736 VanDerWaalsContact O-N 3.1Å; F734-F737 HydrophobicContact CB-CD2 4.05Å; F734-F737 HydrophobicContact CB-CE2 3.88Å; F734-F737 HydrophobicContact CB-CZ 4.47Å; F734-F737 HydrophobicContact CD2-CE2 4.05Å; F734-F737 HydrophobicContact CG-CE2 4.39Å; F734-F737 PolarHBondContact O-N 3.19Å; F734-F737 VanDerWaalsContact O-N 3.12Å; F734-M773 HydrophobicContact CE1-CE 4.01Å; F734-M773 HydrophobicContact CE1-SD 4.32Å; F734-M773 HydrophobicContact CZ-CE 3.93Å; F734-H777 HydrophobicContact CD1-CB 3.88Å; F734-H777 AromaticContact CD1-CD2 3.82Å; F734-H777 AromaticContact CD2-CD2 3.69Å; F734-H777 HydrophobicContact CE1-CB 3.88Å; F734-H777 AromaticContact CE1-CD2 3.75Å; F734-H777 AromaticContact CE2-CD2 3.64Å; F734-H777 AromaticContact CG-CD2 3.79Å; F734-H777 AromaticContact CZ-CD2 3.67Å; F734-K846 HydrophobicContact CD1-CD 3.92Å; F734-K846 HydrophobicContact CE1-CD 3.74Å
735	G	98.6	Very high	98.2	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.01	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-60.4	-24.7	-178.8	0	0	0	0	0	112.9	F737 A738 P767 A780	G735-F737 PolarHBondContact O-N 3.41Å; G735-A738 VanDerWaalsContact O-CB 3.25Å; G735-A738 WeakPolarHBondContact O-CB 3.38Å; G735-A738 PolarHBondContact O-N 2.92Å; G735-A738 VanDerWaalsContact O-N 3.15Å; G735-P767 WeakPolarHBondContact CA-O 3.37Å; G735-P767 PolarHBondContact N-O 2.69Å; G735-A780 WeakPolarHBondContact O-CA 3.15Å
736	D	98.6	Very high	98.4	Very high	7 Å²	7	19.3 Å²	19.3	4%	0.037	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-54.6	-35.1	176.4	-53	-113.7	0	0	0	112.5	F734 A738 N739 E776 H777 S778 S779	F734-D736 PolarHBondContact O-N 3.21Å; F734-D736 VanDerWaalsContact O-N 3.1Å; D736-A738 VanDerWaalsContact C-N 3.29Å; D736-A738 PolarHBondContact O-N 3.36Å; D736-N739 VanDerWaalsContact O-CG 3.25Å; D736-N739 PolarHBondContact O-OD1 3.25Å; D736-N739 VanDerWaalsContact O-OD1 3.06Å; D736-E776 WeakPolarHBondContact CB-O 3.43Å; D736-H777 PolarHBondContact OD1-N 2.83Å; D736-H777 WeakPolarHBondContact OD2-CA 3.22Å; D736-S778 PolarHBondContact OD1-N 3.32Å; D736-S778 PolarHBondContact OD2-N 3.25Å; D736-S778 VanDerWaalsContact OD2-N 3.14Å; D736-S779 WeakPolarHBondContact CA-O 3.43Å; D736-S779 VanDerWaalsContact CG-O 3.3Å; D736-S779 PolarHBondContact OD1-N 3.04Å; D736-S779 PolarHBondContact OD2-N 3.28Å
737	F	98.6	Very high	98.4	Very high	44 Å²	44	21 Å²	21	19%	0.193	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-79.1	-5	-177.9	-52.4	-42.3	0	0	0	114.4	E709 Q733 F734 G735 N739 N740	E709-F737 HydrophobicContact CG-CB 4.5Å; Q733-F737 HydrophobicContact CB-CD2 4.18Å; Q733-F737 HydrophobicContact CB-CE2 4.36Å; F734-F737 HydrophobicContact CB-CD2 4.05Å; F734-F737 HydrophobicContact CB-CE2 3.88Å; F734-F737 HydrophobicContact CB-CZ 4.47Å; F734-F737 HydrophobicContact CD2-CE2 4.05Å; F734-F737 HydrophobicContact CG-CE2 4.39Å; F734-F737 PolarHBondContact O-N 3.19Å; F734-F737 VanDerWaalsContact O-N 3.12Å; G735-F737 PolarHBondContact O-N 3.41Å; F737-N739 WeakPolarHBondContact CA-OD1 3.38Å; F737-N739 PolarHBondContact O-N 3Å; F737-N739 VanDerWaalsContact O-N 3.1Å; F737-N739 PolarHBondContact O-OD1 3.46Å; F737-N740 WeakPolarHBondContact O-CB 3.35Å; F737-N740 PolarHBondContact O-N 2.94Å; F737-N740 VanDerWaalsContact O-N 3.12Å
738	A	98.3	Very high	98.4	Very high	3 Å²	3	21.7 Å²	21.7	3%	0.025	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-61.2	-20.2	175.6	0	0	0	0	0	113.1	W730 G735 D736 N740 A741 F745 L766 F785	W730-A738 HydrophobicContact CH2-CB 4.36Å; W730-A738 HydrophobicContact CZ3-CB 4.49Å; G735-A738 VanDerWaalsContact O-CB 3.25Å; G735-A738 WeakPolarHBondContact O-CB 3.38Å; G735-A738 PolarHBondContact O-N 2.92Å; G735-A738 VanDerWaalsContact O-N 3.15Å; D736-A738 VanDerWaalsContact C-N 3.29Å; D736-A738 PolarHBondContact O-N 3.36Å; A738-N740 PolarHBondContact O-N 3.15Å; A738-A741 PolarHBondContact O-N 2.99Å; A738-A741 VanDerWaalsContact O-N 3.13Å; A738-F745 HydrophobicContact CB-CE2 3.95Å; A738-F745 HydrophobicContact CB-CZ 4.36Å; A738-F745 WeakPolarHBondContact O-CE2 3.11Å; A738-L766 HydrophobicContact CB-CD1 4.43Å; A738-L766 HydrophobicContact CB-CD2 3.78Å; A738-F785 HydrophobicContact CB-CZ 4.39Å
739	N	97.9	Very high	98.4	Very high	60 Å²	60	21.9 Å²	21.9	32%	0.321	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-61.7	-26	174.8	61.5	-7.9	0	0	0	113.8	D736 F737 A741 M742	D736-N739 VanDerWaalsContact O-CG 3.25Å; D736-N739 PolarHBondContact O-OD1 3.25Å; D736-N739 VanDerWaalsContact O-OD1 3.06Å; F737-N739 WeakPolarHBondContact CA-OD1 3.38Å; F737-N739 PolarHBondContact O-N 3Å; F737-N739 VanDerWaalsContact O-N 3.1Å; F737-N739 PolarHBondContact O-OD1 3.46Å; N739-A741 PolarHBondContact O-N 3.07Å; N739-M742 WeakPolarHBondContact O-CB 3.36Å; N739-M742 PolarHBondContact O-N 3.4Å
740	N	98.1	Very high	98.4	Very high	88 Å²	88	22.5 Å²	22.5	47%	0.471	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-65.5	-24.1	175.5	-71.3	-24	0	0	0	112.1	E709 F737 A738	E709-N740 HydrophobicContact CB-CB 3.88Å; E709-N740 HydrophobicContact CG-CB 4.27Å; E709-N740 WeakPolarHBondContact OE2-CB 3.44Å; E709-N740 PolarHBondContact OE2-ND2 3.05Å; F737-N740 WeakPolarHBondContact O-CB 3.35Å; F737-N740 PolarHBondContact O-N 2.94Å; F737-N740 VanDerWaalsContact O-N 3.12Å; A738-N740 PolarHBondContact O-N 3.15Å
741	A	98.4	Very high	98.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-105.3	20.8	179.2	0	0	0	0	0	113.5	E709 L713 A738 N739 C743 I744 F745	E709-A741 HydrophobicContact CB-CB 4.14Å; L713-A741 HydrophobicContact CB-CB 4.03Å; L713-A741 HydrophobicContact CD2-CB 3.65Å; L713-A741 HydrophobicContact CG-CB 4.46Å; A738-A741 PolarHBondContact O-N 2.99Å; A738-A741 VanDerWaalsContact O-N 3.13Å; N739-A741 PolarHBondContact O-N 3.07Å; A741-C743 PolarHBondContact O-N 3.29Å; A741-C743 VanDerWaalsContact O-N 3.14Å; A741-I744 PolarHBondContact O-N 3.23Å; A741-F745 HydrophobicContact CB-CD2 4.41Å; A741-F745 HydrophobicContact CB-CE2 4.26Å; A741-F745 WeakPolarHBondContact O-CD2 3.47Å; A741-F745 PolarHBondContact O-N 3.37Å
742	M	98	Very high	98.1	Very high	28 Å²	28	23.1 Å²	23.1	14%	0.138	12%	0.122	C	C	.	.	H	α-helix	trans	-57.9	-34.7	-171.9	-159.7	66.8	-127.7	0	0	113.3	N739 I744 F745 D746 R784 L788	N739-M742 WeakPolarHBondContact O-CB 3.36Å; N739-M742 PolarHBondContact O-N 3.4Å; M742-I744 VanDerWaalsContact C-N 3.29Å; M742-I744 PolarHBondContact O-N 2.97Å; M742-F745 HydrophobicContact CE-CB 3.59Å; M742-F745 HydrophobicContact CE-CG 4.47Å; M742-F745 PolarHBondContact O-N 3.39Å; M742-F745 HydrophobicContact SD-CB 4.47Å; M742-D746 WeakPolarHBondContact CE-OD1 3.5Å; M742-D746 WeakPolarHBondContact O-CB 3.22Å; M742-D746 PolarHBondContact O-N 2.85Å; M742-R784 HydrophobicContact CE-CG 4.31Å; M742-R784 WeakPolarHBondContact SD-CD 3.43Å; M742-R784 PolarHBondContact SD-NH1 3.36Å; M742-L788 HydrophobicContact CE-CD1 3.66Å
743	C	98.1	Very high	97.9	Very high	25 Å²	25	24.5 Å²	24.5	17%	0.169	13%	0.128	C	C	.	.	H	α-helix	trans	-60.5	-38	176.1	-173.1	0	0	0	0	112.1	F710 A741 Q747	F710-C743 HydrophobicContact CE2-CB 3.67Å; F710-C743 HydrophobicContact CZ-CB 3.63Å; A741-C743 PolarHBondContact O-N 3.29Å; A741-C743 VanDerWaalsContact O-N 3.14Å; C743-Q747 WeakPolarHBondContact O-CB 3.45Å; C743-Q747 VanDerWaalsContact O-CG 3.26Å; C743-Q747 WeakPolarHBondContact O-CG 3.46Å; C743-Q747 PolarHBondContact O-N 3.29Å
744	I	98.8	Very high	97.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.8	-42.5	175.8	-57.5	-60.8	0	0	0	110.9	F710 L713 V717 A741 M742 F748 I749	F710-I744 HydrophobicContact CD2-CD1 4.13Å; F710-I744 HydrophobicContact CD2-CG1 3.64Å; F710-I744 HydrophobicContact CE2-CD1 3.79Å; F710-I744 HydrophobicContact CE2-CG1 3.7Å; L713-I744 HydrophobicContact CD2-CB 4.18Å; L713-I744 HydrophobicContact CD2-CG2 4.09Å; L713-I744 HydrophobicContact CG-CB 4.3Å; L713-I744 HydrophobicContact CG-CG2 3.83Å; V717-I744 HydrophobicContact CG2-CG2 3.77Å; A741-I744 PolarHBondContact O-N 3.23Å; M742-I744 VanDerWaalsContact C-N 3.29Å; M742-I744 PolarHBondContact O-N 2.97Å; I744-F748 HydrophobicContact CD1-CD2 3.94Å; I744-F748 HydrophobicContact CD1-CE2 4Å; I744-F748 HydrophobicContact CG2-CB 4.42Å; I744-F748 WeakPolarHBondContact O-CB 3.48Å; I744-F748 PolarHBondContact O-N 2.91Å; I744-I749 HydrophobicContact CG2-CD1 4.1Å; I744-I749 HydrophobicContact CG2-CG1 4.21Å; I744-I749 PolarHBondContact O-N 3.34Å
745	F	98.7	Very high	97.4	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	14%	0.137	C	C	.	.	I	π-helix	trans	-59.9	-47.6	175.6	-76.4	-66.1	0	0	0	112.7	L713 W730 A738 A741 M742 I749 S750 C764 F785 I841	L713-F745 HydrophobicContact CD2-CD1 4.3Å; L713-F745 HydrophobicContact CD2-CD2 3.83Å; L713-F745 HydrophobicContact CD2-CE1 3.9Å; L713-F745 HydrophobicContact CD2-CE2 3.37Å; L713-F745 HydrophobicContact CD2-CG 4.27Å; L713-F745 HydrophobicContact CD2-CZ 3.42Å; L713-F745 VanDerWaalsContact CD2-CZ 3.42Å; W730-F745 HydrophobicContact CZ3-CE2 4.43Å; W730-F745 AromaticContact CZ3-CZ 3.99Å; W730-F745 HydrophobicContact CZ3-CZ 3.99Å; A738-F745 HydrophobicContact CB-CE2 3.95Å; A738-F745 HydrophobicContact CB-CZ 4.36Å; A738-F745 WeakPolarHBondContact O-CE2 3.11Å; A741-F745 HydrophobicContact CB-CD2 4.41Å; A741-F745 HydrophobicContact CB-CE2 4.26Å; A741-F745 WeakPolarHBondContact O-CD2 3.47Å; A741-F745 PolarHBondContact O-N 3.37Å; M742-F745 HydrophobicContact CE-CB 3.59Å; M742-F745 HydrophobicContact CE-CG 4.47Å; M742-F745 PolarHBondContact O-N 3.39Å; M742-F745 HydrophobicContact SD-CB 4.47Å; F745-I749 HydrophobicContact CD1-CB 4.38Å; F745-I749 HydrophobicContact CD1-CD1 3.58Å; F745-I749 HydrophobicContact CD1-CG2 4.43Å; F745-I749 HydrophobicContact CE1-CD1 3.77Å; F745-I749 HydrophobicContact CG-CD1 4.33Å; F745-S750 WeakPolarHBondContact O-CB 3.45Å; F745-S750 PolarHBondContact O-N 2.77Å; F745-S750 PolarHBondContact O-OG 2.63Å; F745-C764 HydrophobicContact CE1-CB 4.21Å; F745-C764 HydrophobicContact CZ-CB 4.39Å; F745-F785 HydrophobicContact CD1-CD1 4.38Å; F745-F785 AromaticContact CD1-CE1 3.54Å; F745-F785 HydrophobicContact CD1-CE1 3.54Å; F745-F785 HydrophobicContact CD1-CZ 4.4Å; F745-F785 HydrophobicContact CD2-CE1 4.2Å; F745-F785 HydrophobicContact CD2-CZ 4.48Å; F745-F785 AromaticContact CE1-CE1 3.63Å; F745-F785 HydrophobicContact CE1-CE1 3.63Å; F745-F785 HydrophobicContact CE1-CZ 4.17Å; F745-F785 HydrophobicContact CE2-CE1 4.28Å; F745-F785 HydrophobicContact CE2-CZ 4.26Å; F745-F785 AromaticContact CG-CE1 3.84Å; F745-F785 HydrophobicContact CG-CE1 3.84Å; F745-F785 HydrophobicContact CZ-CE1 4.01Å; F745-F785 HydrophobicContact CZ-CZ 4.09Å; F745-I841 HydrophobicContact CD1-CD1 4.37Å; F745-I841 HydrophobicContact CE1-CD1 3.91Å
746	D	98.4	Very high	97.2	Very high	53 Å²	53	25.4 Å²	25.4	28%	0.283	14%	0.14	S	C	.	.	I	π-helix	trans	-71.2	-43.9	-177.3	-70.8	-17.5	0	0	0	111.8	M742 S750 S751 L788	M742-D746 WeakPolarHBondContact CE-OD1 3.5Å; M742-D746 WeakPolarHBondContact O-CB 3.22Å; M742-D746 PolarHBondContact O-N 2.85Å; D746-S750 PolarHBondContact O-OG 3.25Å; D746-S751 PolarHBondContact O-OG 3.08Å; D746-L788 WeakPolarHBondContact OD1-CD1 3.49Å
747	Q	97.7	Very high	96.8	Very high	43 Å²	43	26 Å²	26	20%	0.201	14%	0.143	C	C	.	.	I	π-helix	trans	-99.3	-21	-164.1	-55.8	-54.8	-40.5	0	0	114.5	P365 H367 C743 S751 K755 W756	P365-Q747 HydrophobicContact CB-CB 3.83Å; P365-Q747 HydrophobicContact CB-CG 4.13Å; P365-Q747 HydrophobicContact CG-CB 3.77Å; P365-Q747 HydrophobicContact CG-CG 4.27Å; H367-Q747 VanDerWaalsContact CE1-CD 3.41Å; H367-Q747 PolarHBondContact CE1-NE2 3.28Å; C743-Q747 WeakPolarHBondContact O-CB 3.45Å; C743-Q747 VanDerWaalsContact O-CG 3.26Å; C743-Q747 WeakPolarHBondContact O-CG 3.46Å; C743-Q747 PolarHBondContact O-N 3.29Å; Q747-S751 PolarHBondContact O-OG 3.48Å; Q747-K755 WeakPolarHBondContact O-CE 3.5Å; Q747-K755 PolarHBondContact O-NZ 2.69Å; Q747-W756 VanDerWaalsContact O-CH2 3.29Å; Q747-W756 WeakPolarHBondContact O-CH2 3.25Å
748	F	98.1	Very high	96.6	Very high	16 Å²	16	25.2 Å²	25.2	7%	0.07	14%	0.138	C	C	.	.	I	π-helix	trans	-119.3	-52.3	-179.8	-64.9	-94.2	0	0	0	111.7	P365 A370 V371 V374 V717 I744 G752 W756	P365-F748 HydrophobicContact CG-CE2 3.84Å; P365-F748 HydrophobicContact CG-CZ 3.99Å; A370-F748 HydrophobicContact CB-CE2 4.16Å; V371-F748 HydrophobicContact CB-CZ 4.29Å; V374-F748 HydrophobicContact CB-CE1 4.5Å; V374-F748 HydrophobicContact CG1-CE1 4.44Å; V374-F748 HydrophobicContact CG2-CD1 4.16Å; V374-F748 HydrophobicContact CG2-CE1 3.89Å; V374-F748 HydrophobicContact CG2-CE2 4.38Å; V374-F748 HydrophobicContact CG2-CZ 3.98Å; V717-F748 HydrophobicContact CG1-CB 4.12Å; I744-F748 HydrophobicContact CD1-CD2 3.94Å; I744-F748 HydrophobicContact CD1-CE2 4Å; I744-F748 HydrophobicContact CG2-CB 4.42Å; I744-F748 WeakPolarHBondContact O-CB 3.48Å; I744-F748 PolarHBondContact O-N 2.91Å; F748-G752 WeakPolarHBondContact O-CA 3.31Å; F748-G752 PolarHBondContact O-N 3.36Å; F748-W756 HydrophobicContact CD1-CH2 4.07Å; F748-W756 AromaticContact CD1-CZ3 3.69Å; F748-W756 HydrophobicContact CD1-CZ3 3.69Å; F748-W756 HydrophobicContact CE1-CH2 4.1Å; F748-W756 HydrophobicContact CE1-CZ3 4.05Å; F748-W756 HydrophobicContact CG-CZ3 4.38Å
749	I	98.3	Very high	96.3	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.031	14%	0.139	C	C	.	.	I	π-helix	trans	-71.3	-55.3	-172.2	-61.7	178.3	0	0	0	111.1	L713 V717 I744 F745 I762 M813 P839 I841	L713-I749 HydrophobicContact CD1-CD1 4.05Å; L713-I749 HydrophobicContact CD2-CD1 3.91Å; L713-I749 HydrophobicContact CG-CD1 4.13Å; V717-I749 HydrophobicContact CG2-CD1 3.85Å; V717-I749 HydrophobicContact CG2-CG1 3.68Å; I744-I749 HydrophobicContact CG2-CD1 4.1Å; I744-I749 HydrophobicContact CG2-CG1 4.21Å; I744-I749 PolarHBondContact O-N 3.34Å; F745-I749 HydrophobicContact CD1-CB 4.38Å; F745-I749 HydrophobicContact CD1-CD1 3.58Å; F745-I749 HydrophobicContact CD1-CG2 4.43Å; F745-I749 HydrophobicContact CE1-CD1 3.77Å; F745-I749 HydrophobicContact CG-CD1 4.33Å; I749-I762 HydrophobicContact CD1-CG2 4.35Å; I749-I762 HydrophobicContact CG1-CG2 4.31Å; I749-I762 HydrophobicContact CG2-CG2 4.37Å; I749-M813 HydrophobicContact CG2-SD 3.86Å; I749-P839 HydrophobicContact CG2-CB 3.44Å; I749-P839 VanDerWaalsContact CG2-CB 3.44Å; I749-P839 HydrophobicContact CG2-CG 3.67Å; I749-I841 HydrophobicContact CG2-CD1 4.49Å
750	S	97.8	Very high	96.2	Very high	12 Å²	12	23.1 Å²	23.1	8%	0.084	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-29.2	-175.3	65.5	0	0	0	0	113.8	F745 D746 N812	F745-S750 WeakPolarHBondContact O-CB 3.45Å; F745-S750 PolarHBondContact O-N 2.77Å; F745-S750 PolarHBondContact O-OG 2.63Å; D746-S750 PolarHBondContact O-OG 3.25Å; S750-N812 WeakPolarHBondContact O-CB 3.47Å; S750-N812 PolarHBondContact O-ND2 3.08Å
751	S	96.4	Very high	96.1	Very high	24 Å²	24	19.2 Å²	19.2	17%	0.168	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-6.3	-168.5	61.5	0	0	0	0	115	D746 Q747 Q753 A754 K755	D746-S751 PolarHBondContact O-OG 3.08Å; Q747-S751 PolarHBondContact O-OG 3.48Å; S751-Q753 PolarHBondContact O-N 2.94Å; S751-A754 PolarHBondContact O-N 3.07Å; S751-K755 WeakPolarHBondContact O-CG 3.42Å; S751-K755 PolarHBondContact O-N 3.34Å; S751-K755 VanDerWaalsContact OG-CE 3.25Å; S751-K755 WeakPolarHBondContact OG-CE 3.49Å; S751-K755 PolarHBondContact OG-NZ 3.36Å
752	G	95.5	Very high	96.1	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-62.5	-38	-175.4	0	0	0	0	0	114	F748 W756 R758	F748-G752 WeakPolarHBondContact O-CA 3.31Å; F748-G752 PolarHBondContact O-N 3.36Å; G752-W756 WeakPolarHBondContact O-CB 3.45Å; G752-W756 PolarHBondContact O-N 2.88Å; G752-R758 PolarHBondContact O-N 2.95Å
753	Q	94.4	Very high	96.2	Very high	31 Å²	31	17.9 Å²	17.9	15%	0.145	10%	0.101	C	C	.	.	H	α-helix	trans	-68.8	-42.8	174.1	-174.8	178.3	-1.6	0	0	111.6	S751 I757 R758 Q759	S751-Q753 PolarHBondContact O-N 2.94Å; Q753-I757 WeakPolarHBondContact O-CA 3.26Å; Q753-I757 PolarHBondContact O-N 3.37Å; Q753-R758 PolarHBondContact N-O 3.17Å; Q753-Q759 HydrophobicContact CG-CG 4.17Å
754	A	93.2	Very high	96.2	Very high	47 Å²	47	16.7 Å²	16.7	39%	0.388	9%	0.093	S	C	.	.	H	α-helix	trans	-64	-45.1	179.9	0	0	0	0	0	111.5	G334 S335 S751	G334-A754 CarbonylContact C-O 3.56Å; G334-A754 WeakPolarHBondContact CA-O 3.4Å; S335-A754 PolarHBondContact N-O 2.81Å; S335-A754 PolarHBondContact OG-O 2.92Å; S751-A754 PolarHBondContact O-N 3.07Å
755	K	93.9	Very high	96.2	Very high	28 Å²	28	16.7 Å²	16.7	12%	0.122	9%	0.093	C	C	.	.	H	α-helix	trans	-76.2	-39.8	-176.7	-66.9	-175	-60.4	-176.2	0	113.6	G336 D337 Q747 S751	G336-K755 CarbonylContact C-O 3.58Å; G336-K755 VanDerWaalsContact C-O 3.22Å; G336-K755 WeakPolarHBondContact CA-O 3.19Å; D337-K755 HydrophobicContact CB-CB 4.3Å; Q747-K755 WeakPolarHBondContact O-CE 3.5Å; Q747-K755 PolarHBondContact O-NZ 2.69Å; S751-K755 WeakPolarHBondContact O-CG 3.42Å; S751-K755 PolarHBondContact O-N 3.34Å; S751-K755 VanDerWaalsContact OG-CE 3.25Å; S751-K755 WeakPolarHBondContact OG-CE 3.49Å; S751-K755 PolarHBondContact OG-NZ 3.36Å
756	W	93.4	Very high	96.2	Very high	16 Å²	16	16.7 Å²	16.7	6%	0.061	9%	0.093	C	C	.	.	H	α-helix	trans	-129.9	8.5	-166.3	-46.2	-47.1	0	0	0	114	D337 A363 N364 L576 Q747 F748 G752 R758	D337-W756 PolarHBondContact OD2-NE1 2.96Å; A363-W756 HydrophobicContact CB-CB 4.06Å; A363-W756 HydrophobicContact CB-CD2 3.5Å; A363-W756 HydrophobicContact CB-CE3 3.92Å; A363-W756 HydrophobicContact CB-CG 3.56Å; N364-W756 VanDerWaalsContact C-CZ2 3.49Å; L576-W756 VanDerWaalsContact CD2-O 3.31Å; L576-W756 WeakPolarHBondContact CD2-O 3.32Å; Q747-W756 VanDerWaalsContact O-CH2 3.29Å; Q747-W756 WeakPolarHBondContact O-CH2 3.25Å; F748-W756 HydrophobicContact CD1-CH2 4.07Å; F748-W756 AromaticContact CD1-CZ3 3.69Å; F748-W756 HydrophobicContact CD1-CZ3 3.69Å; F748-W756 HydrophobicContact CE1-CH2 4.1Å; F748-W756 HydrophobicContact CE1-CZ3 4.05Å; F748-W756 HydrophobicContact CG-CZ3 4.38Å; G752-W756 WeakPolarHBondContact O-CB 3.45Å; G752-W756 PolarHBondContact O-N 2.88Å; W756-R758 HydrophobicContact CB-CB 4.27Å; W756-R758 PolarHBondContact O-N 2.88Å
757	I	91.8	Very high	96.2	Very high	20 Å²	20	14.2 Å²	14.2	10%	0.103	8%	0.08	C	C	.	.			trans	53.3	18.2	-170.3	-51.8	165.1	0	0	0	112.5	E333 N572 R573 L576 Q753 Q759	E333-I757 HydrophobicContact CG-CD1 4.38Å; E333-I757 HydrophobicContact CG-CG1 4.3Å; E333-I757 HydrophobicContact CG-CG2 4.47Å; E333-I757 WeakPolarHBondContact O-CD1 3.33Å; E333-I757 WeakPolarHBondContact O-CG1 3.45Å; N572-I757 HydrophobicContact CB-CD1 3.27Å; N572-I757 HydrophobicContact CB-CG1 4.02Å; R573-I757 HydrophobicContact CB-CD1 4.25Å; L576-I757 HydrophobicContact CD2-CB 4.12Å; Q753-I757 WeakPolarHBondContact O-CA 3.26Å; Q753-I757 PolarHBondContact O-N 3.37Å; I757-Q759 PolarHBondContact O-N 3.06Å; I757-Q759 VanDerWaalsContact O-N 3.08Å
758	R	92.6	Very high	96.3	Very high	27 Å²	27	12.7 Å²	12.7	10%	0.102	7%	0.073	C	C	.	.			trans	-82.2	96.2	-178.2	-178.5	51.8	58.5	-145.1	-9.1	110	L576 D577 S578 G752 Q753 W756	L576-R758 VanDerWaalsContact CA-NH2 3.32Å; L576-R758 VanDerWaalsContact CB-NH2 3.3Å; D577-R758 IonicContact OD1-CZ 2.86Å; D577-R758 IonicContact OD1-NE 3.39Å; D577-R758 PolarHBondContact OD1-NE 2.96Å; D577-R758 IonicContact OD1-NH2 3.25Å; D577-R758 PolarHBondContact OD1-NH2 2.86Å; S578-R758 PolarHBondContact O-NH1 3.08Å; G752-R758 PolarHBondContact O-N 2.95Å; Q753-R758 PolarHBondContact N-O 3.17Å; W756-R758 HydrophobicContact CB-CB 4.27Å; W756-R758 PolarHBondContact O-N 2.88Å
759	Q	93.5	Very high	96.3	Very high	9 Å²	9	12 Å²	12	4%	0.042	7%	0.069	C	C	.	.			trans	-68.7	146	169.3	-68.1	-169.7	8.3	0	0	111.2	W580 Q753 I757 R837	W580-Q759 WeakPolarHBondContact CH2-O 3.32Å; W580-Q759 HydrophobicContact CZ3-CB 3.87Å; Q753-Q759 HydrophobicContact CG-CG 4.17Å; I757-Q759 PolarHBondContact O-N 3.06Å; I757-Q759 VanDerWaalsContact O-N 3.08Å; Q759-R837 HydrophobicContact CB-CB 4.15Å; Q759-R837 WeakPolarHBondContact CB-O 3.36Å
760	S	94.9	Very high	96.2	Very high	10 Å²	10	11.7 Å²	11.7	7%	0.07	7%	0.068	C	C	.	.			trans	-140.7	135.8	177.7	175	0	0	0	0	109.6	S720 I762 R837 K838 P839	S720-S760 PolarHBondContact OG-OG 3.19Å; S760-I762 WeakPolarHBondContact OG-CG2 3.4Å; S760-I762 PolarHBondContact OG-N 3.24Å; S760-R837 CarbonylContact O-C 3.19Å; S760-K838 CarbonylContact O-C 3.55Å; S760-K838 WeakPolarHBondContact O-CA 3.42Å; S760-K838 PolarHBondContact O-N 3.48Å; S760-P839 VanDerWaalsContact O-CD 3.32Å; S760-P839 WeakPolarHBondContact O-CD 3.42Å
761	G	96.4	Very high	96.2	Very high	6 Å²	6	14 Å²	14	6%	0.062	8%	0.077	C	C	.	.			trans	-96.5	16.4	176.6	0	0	0	0	0	113.9	V763	G761-V763 PolarHBondContact O-N 3.23Å
762	I	98.6	Very high	96.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.082	C	C	.	.			trans	-58.9	133	-175.4	-171.6	63.8	0	0	0	111	E716 V717 V728 W730 I749 S760 P839 L840	E716-I762 HydrophobicContact CB-CD1 3.71Å; V717-I762 HydrophobicContact CG2-CG1 4.46Å; V728-I762 HydrophobicContact CB-CD1 4.28Å; V728-I762 HydrophobicContact CG1-CD1 3.81Å; W730-I762 HydrophobicContact CB-CD1 4.49Å; I749-I762 HydrophobicContact CD1-CG2 4.35Å; I749-I762 HydrophobicContact CG1-CG2 4.31Å; I749-I762 HydrophobicContact CG2-CG2 4.37Å; S760-I762 WeakPolarHBondContact OG-CG2 3.4Å; S760-I762 PolarHBondContact OG-N 3.24Å; I762-P839 HydrophobicContact CG2-CB 3.9Å; I762-P839 HydrophobicContact CG2-CG 4.26Å; I762-P839 WeakPolarHBondContact O-CA 3.41Å; I762-L840 PolarHBondContact O-N 3.38Å
763	V	98.9	Very high	96.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.9	172.4	-177.5	0	0	0	0	108.7	L727 V728 I729 W730 G761 L765 L828 Q831 L840 V842	L727-V763 HydrophobicContact CD1-CG2 3.69Å; V728-V763 PolarHBondContact O-N 3.44Å; I729-V763 CarbonylContact C-O 3.52Å; I729-V763 WeakPolarHBondContact CA-O 3.36Å; I729-V763 HydrophobicContact CB-CB 4.44Å; I729-V763 HydrophobicContact CG1-CB 4.17Å; I729-V763 HydrophobicContact CG2-CB 4.23Å; I729-V763 HydrophobicContact CG2-CG1 4.3Å; W730-V763 PolarHBondContact N-O 3.45Å; G761-V763 PolarHBondContact O-N 3.23Å; V763-L765 HydrophobicContact CG1-CD2 3.69Å; V763-L765 HydrophobicContact CG1-CG 4.4Å; V763-L828 HydrophobicContact CG1-CD2 4.14Å; V763-Q831 HydrophobicContact CG2-CG 4.13Å; V763-L840 CarbonylContact C-O 3.51Å; V763-L840 WeakPolarHBondContact CA-O 3.36Å; V763-L840 HydrophobicContact CG1-CB 4.44Å; V763-L840 HydrophobicContact CG1-CD2 3.94Å; V763-L840 HydrophobicContact CG1-CG 4.27Å; V763-L840 HydrophobicContact CG2-CB 4.22Å; V763-L840 HydrophobicContact CG2-CD2 4.15Å; V763-V842 HydrophobicContact CG1-CG2 4.21Å
764	C	98.9	Very high	96.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	112.2	175.8	-60.5	0	0	0	0	109.2	W730 F745 L840 I841 V842	W730-C764 HydrophobicContact CE3-CB 4.24Å; W730-C764 CarbonylContact O-C 3.39Å; W730-C764 WeakPolarHBondContact O-CA 3.45Å; F745-C764 HydrophobicContact CE1-CB 4.21Å; F745-C764 HydrophobicContact CZ-CB 4.39Å; C764-L840 PolarHBondContact N-O 2.75Å; C764-I841 HydrophobicContact CB-CD1 3.83Å; C764-V842 PolarHBondContact O-N 3.49Å
765	L	98.9	Very high	96.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	115.5	176.4	-56.8	-173.8	0	0	0	109.3	I729 W730 E731 A732 V763 F824 V842 T844	I729-L765 HydrophobicContact CG2-CD1 3.6Å; I729-L765 HydrophobicContact CG2-CD2 4.37Å; I729-L765 HydrophobicContact CG2-CG 3.61Å; W730-L765 PolarHBondContact O-N 2.97Å; E731-L765 WeakPolarHBondContact CA-O 3.36Å; E731-L765 HydrophobicContact CB-CB 3.96Å; E731-L765 HydrophobicContact CB-CD1 4.4Å; E731-L765 HydrophobicContact CG-CB 3.92Å; A732-L765 PolarHBondContact N-O 3.49Å; V763-L765 HydrophobicContact CG1-CD2 3.69Å; V763-L765 HydrophobicContact CG1-CG 4.4Å; L765-F824 HydrophobicContact CD1-CZ 4.3Å; L765-F824 HydrophobicContact CD2-CE2 3.89Å; L765-F824 HydrophobicContact CD2-CZ 3.92Å; L765-V842 HydrophobicContact CD2-CB 4.01Å; L765-V842 HydrophobicContact CD2-CG2 4.09Å; L765-T844 HydrophobicContact CB-CG2 3.75Å; L765-T844 HydrophobicContact CD2-CG2 3.72Å; L765-T844 HydrophobicContact CG-CG2 4.18Å
766	L	98.9	Very high	96.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	96.8	-172.1	-56	-176.1	0	0	0	110.4	W730 A732 A738 H768 A780 F785 I841 V842 M843 T844	W730-L766 HydrophobicContact CE3-CD2 4.48Å; W730-L766 HydrophobicContact CH2-CD2 4.5Å; W730-L766 HydrophobicContact CZ3-CD2 3.7Å; A732-L766 HydrophobicContact CB-CD2 3.91Å; A738-L766 HydrophobicContact CB-CD1 4.43Å; A738-L766 HydrophobicContact CB-CD2 3.78Å; L766-H768 PolarHBondContact O-N 2.86Å; L766-H768 VanDerWaalsContact O-N 3.08Å; L766-A780 HydrophobicContact CB-CB 3.67Å; L766-A780 HydrophobicContact CD1-CB 4.16Å; L766-F785 HydrophobicContact CD1-CD2 4.17Å; L766-F785 HydrophobicContact CD1-CE1 4.47Å; L766-F785 HydrophobicContact CD1-CE2 3.34Å; L766-F785 HydrophobicContact CD1-CZ 3.53Å; L766-I841 HydrophobicContact CD1-CG2 3.64Å; L766-I841 HydrophobicContact CG-CG2 4.48Å; L766-V842 PolarHBondContact N-O 3.15Å; L766-M843 HydrophobicContact CB-SD 4.49Å; L766-M843 HydrophobicContact CD1-CE 4.2Å; L766-M843 WeakPolarHBondContact O-CA 3.34Å; L766-T844 PolarHBondContact N-OG1 2.76Å; L766-T844 PolarHBondContact O-N 3.28Å; L766-T844 PolarHBondContact O-OG1 2.9Å
767	P	98.8	Very high	96.9	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	116.6	-178.8	-27.4	34.6	0	0	0	112.3	F670 A732 G735 T844 K846	F670-P767 HydrophobicContact CE2-CB 3.86Å; F670-P767 HydrophobicContact CE2-CG 4.02Å; F670-P767 HydrophobicContact CZ-CB 3.96Å; F670-P767 HydrophobicContact CZ-CG 4.46Å; A732-P767 WeakPolarHBondContact O-CD 3.27Å; A732-P767 WeakPolarHBondContact O-CG 3.44Å; G735-P767 WeakPolarHBondContact CA-O 3.37Å; G735-P767 PolarHBondContact N-O 2.69Å; P767-T844 CarbonylContact C-O 3.42Å; P767-T844 VanDerWaalsContact CA-O 3.3Å; P767-T844 WeakPolarHBondContact CA-O 3.33Å; P767-T844 WeakPolarHBondContact CA-OG1 3.19Å; P767-T844 WeakPolarHBondContact CD-OG1 3.43Å; P767-T844 VanDerWaalsContact N-OG1 3.11Å; P767-K846 HydrophobicContact CB-CD 4.33Å; P767-K846 HydrophobicContact CB-CG 4Å
768	H	98.7	Very high	97.2	Very high	12 Å²	12	21 Å²	21	6%	0.056	11%	0.113	C	C	.	.			trans	-128.1	145	-170.7	-174.8	101.1	0	0	0	110.5	L766 A780 M843 T844 E945	L766-H768 PolarHBondContact O-N 2.86Å; L766-H768 VanDerWaalsContact O-N 3.08Å; H768-A780 HydrophobicContact CB-CB 4.21Å; H768-A780 PolarHBondContact ND1-N 2.92Å; H768-M843 HydrophobicContact CB-CB 3.91Å; H768-M843 HydrophobicContact CB-CG 4.49Å; H768-M843 HydrophobicContact CB-SD 4.13Å; H768-T844 PolarHBondContact N-O 3.31Å; H768-E945 IonicContact CE1-OE1 2.65Å; H768-E945 IonicContact NE2-OE1 3.56Å; H768-E945 PolarHBondContact NE2-OE1 2.92Å
769	G	97.6	Very high	97.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.			trans	152.2	135.5	170.6	0	0	0	0	0	113.8	E771 S778 K846 E944	G769-E771 PolarHBondContact O-N 3.14Å; G769-S778 CarbonylContact C-O 3.56Å; G769-S778 PolarHBondContact N-O 2.98Å; G769-S778 WeakPolarHBondContact O-CA 3.41Å; G769-K846 VanDerWaalsContact O-CE 3.28Å; G769-K846 WeakPolarHBondContact O-CE 3.29Å; G769-K846 PolarHBondContact O-NZ 2.98Å; G769-E944 VanDerWaalsContact CA-OE1 3.29Å; G769-E944 WeakPolarHBondContact CA-OE1 3.32Å
770	Y	97.7	Very high	97.7	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	11%	0.108	C	C	.	.			trans	-85.8	92.9	-178.9	-75.5	-128.3	0	0	0	109.5	K893 E944 E945 P980 A981 H988	Y770-K893 PolarHBondContact O-NZ 2.56Å; Y770-K893 VanDerWaalsContact O-NZ 3.11Å; Y770-E944 HydrophobicContact CD2-CG 3.94Å; Y770-E944 HydrophobicContact CG-CB 4.45Å; Y770-E944 HydrophobicContact CG-CG 4.1Å; Y770-E944 PolarHBondContact N-OE1 3.18Å; Y770-E945 HydrophobicContact CD2-CG 4.27Å; Y770-E945 HydrophobicContact CE2-CB 4.14Å; Y770-E945 HydrophobicContact CE2-CG 3.52Å; Y770-P980 WeakPolarHBondContact CE1-O 3.42Å; Y770-P980 PolarHBondContact OH-O 3.17Å; Y770-A981 HydrophobicContact CD1-CB 4.16Å; Y770-A981 HydrophobicContact CE1-CB 4.12Å; Y770-H988 PolarHBondContact O-CE1 3.22Å; Y770-H988 VanDerWaalsContact O-CE1 3.3Å
771	E	96.4	Very high	97.8	Very high	59 Å²	59	21.7 Å²	21.7	28%	0.276	12%	0.115	S	C	.	.	S	Bend	trans	-115.9	13.6	-173.1	-61.5	178.9	179.1	0	0	112.9	G769 M773 S847 K893	G769-E771 PolarHBondContact O-N 3.14Å; E771-M773 HydrophobicContact CB-CG 4.49Å; E771-S847 WeakPolarHBondContact OE1-CB 3.39Å; E771-S847 PolarHBondContact OE1-N 3.14Å; E771-S847 PolarHBondContact OE1-OG 2.86Å; E771-K893 HydrophobicContact CG-CD 4.42Å
772	G	95.6	Very high	97.9	Very high	26 Å²	26	21.4 Å²	21.4	27%	0.268	11%	0.112	S	C	.	.	S	Bend	trans	75.6	22.2	178.6	0	0	0	0	0	114.1	G774 H988	G772-G774 VanDerWaalsContact C-N 3.31Å; G772-H988 VanDerWaalsContact CA-CD2 3.47Å; G772-H988 WeakPolarHBondContact CA-CD2 3.31Å; G772-H988 PolarHBondContact N-CE1 3.46Å; G772-H988 PolarHBondContact N-NE2 2.92Å
773	M	95.9	Very high	97.9	Very high	92 Å²	92	23.1 Å²	23.1	45%	0.453	12%	0.12	S	C	.	.	S	Bend	trans	-87.3	3.4	177.7	-62.9	-177.1	66.8	0	0	113.7	F734 E771 H777	F734-M773 HydrophobicContact CE1-CE 4.01Å; F734-M773 HydrophobicContact CE1-SD 4.32Å; F734-M773 HydrophobicContact CZ-CE 3.93Å; E771-M773 HydrophobicContact CB-CG 4.49Å; M773-H777 HydrophobicContact CB-CB 3.68Å; M773-H777 HydrophobicContact CE-CB 4.23Å
774	G	96.5	Very high	97.9	Very high	8 Å²	8	26.9 Å²	26.9	8%	0.082	13%	0.134	C	C	.	.			trans	89.1	-177.6	-179.5	0	0	0	0	0	114.1	G772 E776 S778	G772-G774 VanDerWaalsContact C-N 3.31Å; G774-E776 PolarHBondContact O-N 3.25Å; G774-S778 WeakPolarHBondContact O-CB 3.4Å; G774-S778 PolarHBondContact O-OG 3.07Å
775	P	97.7	Very high	97.9	Very high	40 Å²	40	27.1 Å²	27.1	26%	0.26	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.6	-166	23.6	-33.5	0	0	0	116	A979 P980 A981	P775-A979 HydrophobicContact CB-CB 4.26Å; P775-P980 WeakPolarHBondContact O-CB 3.45Å; P775-P980 VanDerWaalsContact O-CG 3.32Å; P775-P980 WeakPolarHBondContact O-CG 3.31Å; P775-A981 WeakPolarHBondContact CB-O 3.35Å
776	E	97.7	Very high	97.9	Very high	88 Å²	88	27.2 Å²	27.2	41%	0.411	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	13.6	-175.8	-54.4	-56	145.5	0	0	113.3	D736 G774	D736-E776 WeakPolarHBondContact CB-O 3.43Å; G774-E776 PolarHBondContact O-N 3.25Å
777	H	98.2	Very high	97.9	Very high	62 Å²	62	35.1 Å²	35.1	29%	0.287	17%	0.172	S	C	.	.	S	Bend	trans	-141.7	28	179.3	-61.1	88.2	0	0	0	111.3	F734 D736 M773 K846	F734-H777 HydrophobicContact CD1-CB 3.88Å; F734-H777 AromaticContact CD1-CD2 3.82Å; F734-H777 AromaticContact CD2-CD2 3.69Å; F734-H777 HydrophobicContact CE1-CB 3.88Å; F734-H777 AromaticContact CE1-CD2 3.75Å; F734-H777 AromaticContact CE2-CD2 3.64Å; F734-H777 AromaticContact CG-CD2 3.79Å; F734-H777 AromaticContact CZ-CD2 3.67Å; D736-H777 PolarHBondContact OD1-N 2.83Å; D736-H777 WeakPolarHBondContact OD2-CA 3.22Å; M773-H777 HydrophobicContact CB-CB 3.68Å; M773-H777 HydrophobicContact CE-CB 4.23Å; H777-K846 PolarHBondContact O-NZ 2.56Å
778	S	98.2	Very high	97.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-125.5	-44	-172.6	-68	0	0	0	0	112.9	D736 G769 G774 A981	D736-S778 PolarHBondContact OD1-N 3.32Å; D736-S778 PolarHBondContact OD2-N 3.25Å; D736-S778 VanDerWaalsContact OD2-N 3.14Å; G769-S778 CarbonylContact C-O 3.56Å; G769-S778 PolarHBondContact N-O 2.98Å; G769-S778 WeakPolarHBondContact O-CA 3.41Å; G774-S778 WeakPolarHBondContact O-CB 3.4Å; G774-S778 PolarHBondContact O-OG 3.07Å; S778-A981 WeakPolarHBondContact OG-CB 3.21Å
779	S	98.5	Very high	97.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.			trans	-131.7	120.3	-167	-171.4	0	0	0	0	112.4	D736 R781	D736-S779 WeakPolarHBondContact CA-O 3.43Å; D736-S779 VanDerWaalsContact CG-O 3.3Å; D736-S779 PolarHBondContact OD1-N 3.04Å; D736-S779 PolarHBondContact OD2-N 3.28Å; S779-R781 PolarHBondContact O-N 3.4Å; S779-R781 VanDerWaalsContact O-N 3.1Å; S779-R781 PolarHBondContact OG-N 3.24Å
780	A	98.3	Very high	97.7	Very high	3 Å²	3	41.8 Å²	41.8	3%	0.025	21%	0.209	C	C	.	.			trans	-66.8	3.1	161.5	0	0	0	0	0	114.7	G735 L766 H768 L782 F785 M843	G735-A780 WeakPolarHBondContact O-CA 3.15Å; L766-A780 HydrophobicContact CB-CB 3.67Å; L766-A780 HydrophobicContact CD1-CB 4.16Å; H768-A780 HydrophobicContact CB-CB 4.21Å; H768-A780 PolarHBondContact ND1-N 2.92Å; A780-L782 PolarHBondContact O-N 3.46Å; A780-F785 VanDerWaalsContact O-CE2 3.26Å; A780-F785 WeakPolarHBondContact O-CE2 3.49Å; A780-M843 HydrophobicContact CB-CE 4.23Å; A780-M843 HydrophobicContact CB-SD 3.45Å; A780-M843 WeakPolarHBondContact CB-SD 3.5Å
781	R	98.5	Very high	97.3	Very high	57 Å²	57	42.7 Å²	42.7	22%	0.215	21%	0.214	C	C	.	.			trans	55.8	51	-175.3	-59.5	-176.8	171.7	-83.1	3.1	112.9	S779 E783 R784	S779-R781 PolarHBondContact O-N 3.4Å; S779-R781 VanDerWaalsContact O-N 3.1Å; S779-R781 PolarHBondContact OG-N 3.24Å; R781-E783 VanDerWaalsContact C-OE2 3.29Å; R781-E783 WeakPolarHBondContact CA-OE1 3.47Å; R781-E783 WeakPolarHBondContact CA-OE2 3.47Å; R781-E783 WeakPolarHBondContact CB-OE1 3.33Å; R781-E783 IonicContact NH1-OE1 3.59Å; R781-E783 PolarHBondContact O-N 3.35Å; R781-R784 HydrophobicContact CB-CB 4.35Å; R781-R784 WeakPolarHBondContact O-CB 3.48Å; R781-R784 PolarHBondContact O-N 2.92Å
782	L	98.5	Very high	97	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-45.2	-39.1	176.8	167.8	61.7	0	0	0	112.7	A780 R784 F785 L786 V815 M843 L919 A951	A780-L782 PolarHBondContact O-N 3.46Å; L782-R784 PolarHBondContact O-N 3.21Å; L782-F785 PolarHBondContact O-N 3.03Å; L782-L786 HydrophobicContact CD1-CD1 3.87Å; L782-L786 HydrophobicContact CD1-CD2 4.43Å; L782-L786 HydrophobicContact CD1-CG 3.89Å; L782-L786 HydrophobicContact CG-CD1 3.85Å; L782-L786 HydrophobicContact CG-CG 4.32Å; L782-L786 WeakPolarHBondContact O-CG 3.45Å; L782-L786 PolarHBondContact O-N 3.44Å; L782-L786 VanDerWaalsContact O-N 3.09Å; L782-V815 HydrophobicContact CD1-CG1 3.43Å; L782-V815 VanDerWaalsContact CD1-CG1 3.43Å; L782-M843 HydrophobicContact CB-CE 3.85Å; L782-M843 HydrophobicContact CB-CG 4.37Å; L782-M843 HydrophobicContact CB-SD 4.02Å; L782-M843 HydrophobicContact CD1-CE 3.64Å; L782-M843 HydrophobicContact CD1-CG 4.02Å; L782-M843 HydrophobicContact CD1-SD 4.38Å; L782-M843 HydrophobicContact CD2-CG 4.43Å; L782-M843 HydrophobicContact CG-CE 4.34Å; L782-M843 HydrophobicContact CG-CG 4.5Å; L782-L919 HydrophobicContact CD1-CD1 3.65Å; L782-L919 HydrophobicContact CD2-CD1 3.54Å; L782-L919 HydrophobicContact CG-CD1 4.12Å; L782-A951 HydrophobicContact CD2-CB 4.27Å
783	E	98.5	Very high	96.8	Very high	36 Å²	36	46.2 Å²	46.2	17%	0.168	23%	0.226	C	C	.	.	H	α-helix	trans	-54.9	-34.1	177.3	66.2	-76.5	176.7	0	0	113.8	R781 Q787 M949 G950	R781-E783 VanDerWaalsContact C-OE2 3.29Å; R781-E783 WeakPolarHBondContact CA-OE1 3.47Å; R781-E783 WeakPolarHBondContact CA-OE2 3.47Å; R781-E783 WeakPolarHBondContact CB-OE1 3.33Å; R781-E783 IonicContact NH1-OE1 3.59Å; R781-E783 PolarHBondContact O-N 3.35Å; E783-Q787 WeakPolarHBondContact O-CB 3.42Å; E783-Q787 PolarHBondContact O-N 3.08Å; E783-M949 HydrophobicContact CG-CB 4.42Å; E783-M949 WeakPolarHBondContact OE2-CA 3.35Å; E783-G950 WeakPolarHBondContact CA-O 3.47Å; E783-G950 VanDerWaalsContact CB-O 3.3Å; E783-G950 WeakPolarHBondContact CB-O 3.47Å; E783-G950 PolarHBondContact OE2-N 3.39Å
784	R	98.5	Very high	96.3	Very high	79 Å²	79	49.6 Å²	49.6	30%	0.298	24%	0.241	S	C	.	.	H	α-helix	trans	-74	-42.6	-177.6	-173.1	-178.7	-64.5	175.1	-3.1	111.1	M742 R781 L782 L786 Q787 L788	M742-R784 HydrophobicContact CE-CG 4.31Å; M742-R784 WeakPolarHBondContact SD-CD 3.43Å; M742-R784 PolarHBondContact SD-NH1 3.36Å; R781-R784 HydrophobicContact CB-CB 4.35Å; R781-R784 WeakPolarHBondContact O-CB 3.48Å; R781-R784 PolarHBondContact O-N 2.92Å; L782-R784 PolarHBondContact O-N 3.21Å; R784-L786 VanDerWaalsContact C-N 3.33Å; R784-Q787 PolarHBondContact O-N 2.99Å; R784-L788 WeakPolarHBondContact O-CG 3.48Å; R784-L788 PolarHBondContact O-N 3.25Å; R784-L788 VanDerWaalsContact O-N 3.13Å
785	F	98.7	Very high	95.5	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-65.7	-40	176.5	-64.2	-70.8	0	0	0	111.4	A738 F745 L766 A780 L782 Q787 L788 C789 V815 I841 M843	A738-F785 HydrophobicContact CB-CZ 4.39Å; F745-F785 HydrophobicContact CD1-CD1 4.38Å; F745-F785 AromaticContact CD1-CE1 3.54Å; F745-F785 HydrophobicContact CD1-CE1 3.54Å; F745-F785 HydrophobicContact CD1-CZ 4.4Å; F745-F785 HydrophobicContact CD2-CE1 4.2Å; F745-F785 HydrophobicContact CD2-CZ 4.48Å; F745-F785 AromaticContact CE1-CE1 3.63Å; F745-F785 HydrophobicContact CE1-CE1 3.63Å; F745-F785 HydrophobicContact CE1-CZ 4.17Å; F745-F785 HydrophobicContact CE2-CE1 4.28Å; F745-F785 HydrophobicContact CE2-CZ 4.26Å; F745-F785 AromaticContact CG-CE1 3.84Å; F745-F785 HydrophobicContact CG-CE1 3.84Å; F745-F785 HydrophobicContact CZ-CE1 4.01Å; F745-F785 HydrophobicContact CZ-CZ 4.09Å; L766-F785 HydrophobicContact CD1-CD2 4.17Å; L766-F785 HydrophobicContact CD1-CE1 4.47Å; L766-F785 HydrophobicContact CD1-CE2 3.34Å; L766-F785 HydrophobicContact CD1-CZ 3.53Å; A780-F785 VanDerWaalsContact O-CE2 3.26Å; A780-F785 WeakPolarHBondContact O-CE2 3.49Å; L782-F785 PolarHBondContact O-N 3.03Å; F785-Q787 VanDerWaalsContact C-N 3.33Å; F785-Q787 PolarHBondContact O-N 3.09Å; F785-L788 PolarHBondContact O-N 3.14Å; F785-L788 VanDerWaalsContact O-N 3.14Å; F785-C789 PolarHBondContact O-N 2.97Å; F785-C789 PolarHBondContact O-SG 3.48Å; F785-C789 VanDerWaalsContact O-SG 3.35Å; F785-V815 HydrophobicContact CB-CG2 4.37Å; F785-I841 HydrophobicContact CB-CG2 4.3Å; F785-I841 HydrophobicContact CD1-CD1 4.4Å; F785-I841 HydrophobicContact CD1-CG1 4.14Å; F785-I841 HydrophobicContact CD1-CG2 4.02Å; F785-I841 HydrophobicContact CD2-CG2 3.97Å; F785-I841 HydrophobicContact CE1-CG2 4.34Å; F785-I841 HydrophobicContact CE2-CG2 4.27Å; F785-I841 HydrophobicContact CG-CG2 3.82Å; F785-I841 HydrophobicContact CZ-CG2 4.45Å; F785-M843 HydrophobicContact CD2-CE 3.84Å; F785-M843 HydrophobicContact CE2-CE 4.35Å
786	L	98.6	Very high	94.6	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-63.8	-37.3	174.3	-69.9	176.5	0	0	0	112.6	L782 R784 L788 C789 V815 L919 A951 Y954	L782-L786 HydrophobicContact CD1-CD1 3.87Å; L782-L786 HydrophobicContact CD1-CD2 4.43Å; L782-L786 HydrophobicContact CD1-CG 3.89Å; L782-L786 HydrophobicContact CG-CD1 3.85Å; L782-L786 HydrophobicContact CG-CG 4.32Å; L782-L786 WeakPolarHBondContact O-CG 3.45Å; L782-L786 PolarHBondContact O-N 3.44Å; L782-L786 VanDerWaalsContact O-N 3.09Å; R784-L786 VanDerWaalsContact C-N 3.33Å; L786-L788 VanDerWaalsContact C-N 3.26Å; L786-L788 PolarHBondContact O-N 3.13Å; L786-C789 WeakPolarHBondContact O-CB 3.41Å; L786-C789 PolarHBondContact O-N 3.19Å; L786-V815 HydrophobicContact CD2-CB 3.93Å; L786-V815 HydrophobicContact CD2-CG1 3.88Å; L786-V815 HydrophobicContact CD2-CG2 4.21Å; L786-V815 HydrophobicContact CG-CG1 4.39Å; L786-L919 HydrophobicContact CD1-CD1 4.4Å; L786-L919 HydrophobicContact CD2-CB 3.8Å; L786-A951 HydrophobicContact CD1-CB 3.73Å; L786-Y954 HydrophobicContact CB-CD2 3.59Å; L786-Y954 HydrophobicContact CB-CE2 4.12Å; L786-Y954 HydrophobicContact CB-CG 3.88Å; L786-Y954 HydrophobicContact CD1-CD1 4.33Å; L786-Y954 HydrophobicContact CD1-CG 4.02Å; L786-Y954 HydrophobicContact CD2-CD1 4.1Å; L786-Y954 HydrophobicContact CD2-CD2 4.17Å; L786-Y954 HydrophobicContact CD2-CE1 4.14Å; L786-Y954 HydrophobicContact CD2-CE2 4.13Å; L786-Y954 HydrophobicContact CD2-CG 4.11Å; L786-Y954 HydrophobicContact CG-CD2 4.31Å; L786-Y954 HydrophobicContact CG-CG 4.22Å; L786-Y954 WeakPolarHBondContact O-CD2 3.5Å; L786-Y954 WeakPolarHBondContact O-CE2 3.44Å
787	Q	98.1	Very high	93.8	Very high	165 Å²	165	54.1 Å²	54.1	77%	0.771	26%	0.258	S	S	*	.	H	α-helix	trans	-64.6	-30.3	173.5	178.7	174.6	57.5	0	0	112.8	E783 R784 F785 C789	E783-Q787 WeakPolarHBondContact O-CB 3.42Å; E783-Q787 PolarHBondContact O-N 3.08Å; R784-Q787 PolarHBondContact O-N 2.99Å; F785-Q787 VanDerWaalsContact C-N 3.33Å; F785-Q787 PolarHBondContact O-N 3.09Å; Q787-C789 VanDerWaalsContact C-N 3.3Å
788	L	98.1	Very high	93.1	Very high	47 Å²	47	56.1 Å²	56.1	25%	0.246	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-8.9	176.9	-70.1	171.4	0	0	0	113.2	M742 D746 R784 F785 L786 N812 M813	M742-L788 HydrophobicContact CE-CD1 3.66Å; D746-L788 WeakPolarHBondContact OD1-CD1 3.49Å; R784-L788 WeakPolarHBondContact O-CG 3.48Å; R784-L788 PolarHBondContact O-N 3.25Å; R784-L788 VanDerWaalsContact O-N 3.13Å; F785-L788 PolarHBondContact O-N 3.14Å; F785-L788 VanDerWaalsContact O-N 3.14Å; L786-L788 VanDerWaalsContact C-N 3.26Å; L786-L788 PolarHBondContact O-N 3.13Å; L788-N812 PolarHBondContact O-ND2 3.12Å; L788-M813 HydrophobicContact CB-CE 3.5Å; L788-M813 VanDerWaalsContact CB-CE 3.5Å
789	C	97.8	Very high	92.3	Very high	14 Å²	14	60.1 Å²	60.1	10%	0.095	30%	0.302	C	S	.	.			trans	-75.6	139.4	177.2	-70.3	0	0	0	0	111.6	F785 L786 Q787 D791 N812 V815 S920 Y954	F785-C789 PolarHBondContact O-N 2.97Å; F785-C789 PolarHBondContact O-SG 3.48Å; F785-C789 VanDerWaalsContact O-SG 3.35Å; L786-C789 WeakPolarHBondContact O-CB 3.41Å; L786-C789 PolarHBondContact O-N 3.19Å; Q787-C789 VanDerWaalsContact C-N 3.3Å; C789-D791 VanDerWaalsContact C-N 3.26Å; C789-D791 PolarHBondContact O-N 3.42Å; C789-N812 VanDerWaalsContact CA-OD1 3.24Å; C789-N812 WeakPolarHBondContact CA-OD1 3.46Å; C789-V815 VanDerWaalsContact SG-CG2 3.6Å; C789-S920 WeakPolarHBondContact CB-OG 3.26Å; C789-S920 VanDerWaalsContact SG-CB 3.59Å; C789-S920 PolarHBondContact SG-OG 3.37Å; C789-S920 VanDerWaalsContact SG-OG 3.33Å; C789-Y954 HydrophobicContact CB-CE2 4.32Å
790	N	94.8	Very high	91.8	Very high	93 Å²	93	62 Å²	62	50%	0.497	32%	0.322	S	S	.	.			trans	-88.6	23.3	176.4	72.3	-24.8	0	0	0	113.6	D792 D810 T811 N812	N790-D792 PolarHBondContact O-N 3.14Å; N790-D810 PolarHBondContact ND2-O 3.02Å; N790-T811 VanDerWaalsContact OD1-CA 3.24Å; N790-T811 WeakPolarHBondContact OD1-CA 3.41Å; N790-N812 PolarHBondContact N-OD1 3.34Å; N790-N812 PolarHBondContact OD1-N 2.94Å; N790-N812 PolarHBondContact OD1-OD1 3.34Å
791	D	90.2	Very high	91.3	Very high	20 Å²	20	68.7 Å²	68.7	11%	0.107	37%	0.365	C	S	.	.			trans	-76.1	111.2	175.7	-176.7	25	0	0	0	108.3	C789 F922 Y954 R958	C789-D791 VanDerWaalsContact C-N 3.26Å; C789-D791 PolarHBondContact O-N 3.42Å; D791-F922 WeakPolarHBondContact OD2-CB 3.35Å; D791-F922 PolarHBondContact OD2-N 3.22Å; D791-Y954 WeakPolarHBondContact CB-OH 3.5Å; D791-Y954 VanDerWaalsContact CG-OH 3.29Å; D791-Y954 PolarHBondContact OD2-OH 3.29Å; D791-R958 PolarHBondContact O-NH2 2.98Å; D791-R958 IonicContact OD2-NE 3.46Å; D791-R958 PolarHBondContact OD2-NE 3.29Å
792	D	90.2	Very high	90.9	Very high	82 Å²	82	68.9 Å²	68.9	44%	0.439	37%	0.372	S	S	.	.			trans	-77.5	135.4	-178.7	-176.7	-5.4	0	0	0	110.7	N790 E794 H795 Y924	N790-D792 PolarHBondContact O-N 3.14Å; D792-E794 PolarHBondContact OD1-N 3.05Å; D792-H795 HydrophobicContact CB-CB 3.91Å; D792-H795 WeakPolarHBondContact OD2-CB 3.45Å; D792-Y924 PolarHBondContact O-OH 2.97Å; D792-Y924 VanDerWaalsContact O-OH 3.13Å
793	E	90.8	Very high	90.5	Very high	77 Å²	77	69 Å²	69	36%	0.36	37%	0.373	S	S	.	.	S	Bend	trans	-80.8	-17.4	-180	64.9	-170.5	-139.2	0	0	114.2	P957 R958 T961	E793-P957 HydrophobicContact CB-CB 4.06Å; E793-P957 HydrophobicContact CB-CG 4.28Å; E793-P957 VanDerWaalsContact CD-CB 3.45Å; E793-P957 HydrophobicContact CG-CB 4.16Å; E793-P957 WeakPolarHBondContact OE1-CB 3.39Å; E793-P957 WeakPolarHBondContact OE2-CB 3.37Å; E793-P957 WeakPolarHBondContact OE2-CG 3.16Å; E793-R958 HydrophobicContact CB-CG 3.87Å; E793-R958 IonicContact OE2-NH1 3.73Å; E793-R958 PolarHBondContact OE2-NH1 3.36Å; E793-T961 VanDerWaalsContact O-CB 3.3Å; E793-T961 WeakPolarHBondContact O-CB 3.39Å; E793-T961 WeakPolarHBondContact O-CG2 3.45Å; E793-T961 PolarHBondContact O-OG1 2.98Å
794	E	86.7	Confident	90.3	Very high	163 Å²	163	69.3 Å²	69.3	76%	0.762	38%	0.375	S	S	*	.	S	Bend	trans	-97.6	-25.1	176.8	-61.1	-171	164.6	0	0	112.2	D792	D792-E794 PolarHBondContact OD1-N 3.05Å
795	H	78.8	Confident	90.1	Very high	126 Å²	126	65.7 Å²	65.7	58%	0.583	36%	0.362	S	S	*	.			trans	-100.6	96.7	-177.4	-169.3	74.3	0	0	0	112.4	D792	D792-H795 HydrophobicContact CB-CB 3.91Å; D792-H795 WeakPolarHBondContact OD2-CB 3.45Å
796	M	79.3	Confident	89.8	Confident	65 Å²	65	68.2 Å²	68.2	32%	0.32	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-98.1	120.6	171.6	-170.7	-174.6	74.4	0	0	110.5	P799 Y924	M796-P799 HydrophobicContact CE-CG 4.38Å; M796-Y924 HydrophobicContact CG-CD1 4Å; M796-Y924 HydrophobicContact CG-CD2 3.96Å; M796-Y924 HydrophobicContact CG-CE1 4.47Å; M796-Y924 HydrophobicContact CG-CE2 4.43Å; M796-Y924 HydrophobicContact CG-CG 3.73Å; M796-Y924 VanDerWaalsContact SD-CB 3.52Å; M796-Y924 HydrophobicContact SD-CD1 3.71Å; M796-Y924 HydrophobicContact SD-CG 3.69Å
797	I	80.9	Confident	89.5	Confident	39 Å²	39	68.6 Å²	68.6	20%	0.2	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-57.8	136.3	170.2	-54.8	179.9	0	0	0	108.6	F803 Q806 Q807	I797-F803 HydrophobicContact CB-CD2 4.07Å; I797-F803 HydrophobicContact CB-CE2 3.95Å; I797-F803 HydrophobicContact CG2-CD2 4.22Å; I797-F803 WeakPolarHBondContact O-CE2 3.24Å; I797-Q806 HydrophobicContact CD1-CB 4.16Å; I797-Q806 HydrophobicContact CD1-CG 3.6Å; I797-Q806 HydrophobicContact CG2-CG 4.43Å; I797-Q807 HydrophobicContact CD1-CG 4.24Å
798	P	82.9	Confident	89.4	Confident	104 Å²	104	60.8 Å²	60.8	68%	0.675	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-55.6	131.4	176.5	-26.8	35.2	0	0	0	111.5	G800	P798-G800 PolarHBondContact O-N 3.24Å
799	P	82.7	Confident	89.1	Confident	85 Å²	85	61.7 Å²	61.7	55%	0.552	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-58.8	137.9	176.4	-22.6	32.5	0	0	0	110.9	M796	M796-P799 HydrophobicContact CE-CG 4.38Å
800	G	87.1	Confident	88.8	Confident	40 Å²	40	64.5 Å²	64.5	41%	0.412	35%	0.353	S	S	.	.	S	Bend	trans	-175.4	177.5	-176.3	0	0	0	0	0	111.7	P798 T802 F803	P798-G800 PolarHBondContact O-N 3.24Å; G800-T802 PolarHBondContact O-N 3.27Å; G800-T802 VanDerWaalsContact O-N 3.15Å; G800-F803 WeakPolarHBondContact O-CB 3.43Å; G800-F803 PolarHBondContact O-N 3.14Å; G800-F803 VanDerWaalsContact O-N 3.08Å
801	P	86.9	Confident	88.8	Confident	143 Å²	143	60.3 Å²	60.3	93%	0.929	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.4	-174.9	24.8	-34.1	0	0	0	113.8
802	T	89.9	Confident	89.1	Confident	60 Å²	60	60.4 Å²	60.4	37%	0.368	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	5.6	179.5	56.8	0	0	0	0	113.3	L590 G800 E804 A805 Q806	L590-T802 HydrophobicContact CB-CG2 4.14Å; L590-T802 HydrophobicContact CD1-CG2 4.35Å; G800-T802 PolarHBondContact O-N 3.27Å; G800-T802 VanDerWaalsContact O-N 3.15Å; T802-E804 PolarHBondContact O-N 3.27Å; T802-A805 PolarHBondContact O-N 2.73Å; T802-A805 VanDerWaalsContact O-N 3.15Å; T802-Q806 WeakPolarHBondContact O-CB 3.41Å; T802-Q806 PolarHBondContact O-N 2.93Å
803	F	91.9	Very high	89.5	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-55.2	-50.3	-171.6	175.6	-98.4	0	0	0	112.7	I797 G800 A805 Q806 Q807 Y924 D925	I797-F803 HydrophobicContact CB-CD2 4.07Å; I797-F803 HydrophobicContact CB-CE2 3.95Å; I797-F803 HydrophobicContact CG2-CD2 4.22Å; I797-F803 WeakPolarHBondContact O-CE2 3.24Å; G800-F803 WeakPolarHBondContact O-CB 3.43Å; G800-F803 PolarHBondContact O-N 3.14Å; G800-F803 VanDerWaalsContact O-N 3.08Å; F803-A805 PolarHBondContact O-N 2.95Å; F803-Q806 PolarHBondContact O-N 3.13Å; F803-Q807 VanDerWaalsContact CE1-CD 3.42Å; F803-Q807 HydrophobicContact CE1-CG 4.22Å; F803-Q807 HydrophobicContact CE2-CG 4.22Å; F803-Q807 HydrophobicContact CZ-CG 4.01Å; F803-Q807 WeakPolarHBondContact O-CG 3.42Å; F803-Q807 PolarHBondContact O-N 2.77Å; F803-Y924 HydrophobicContact CZ-CD2 4.38Å; F803-D925 HydrophobicContact CD1-CB 4Å; F803-D925 HydrophobicContact CE1-CB 3.86Å; F803-D925 VanDerWaalsContact CE1-OD1 3.31Å; F803-D925 WeakPolarHBondContact CE1-OD1 3.15Å
804	E	93.5	Very high	89.9	Confident	43 Å²	43	52.9 Å²	52.9	20%	0.201	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-43.9	178.8	-178.3	176.9	165.4	0	0	111.9	I592 T802 Q806 Q807 L808 R830 R869	I592-E804 HydrophobicContact CD1-CB 3.83Å; I592-E804 HydrophobicContact CD1-CG 3.45Å; I592-E804 VanDerWaalsContact CD1-CG 3.45Å; T802-E804 PolarHBondContact O-N 3.27Å; E804-Q806 VanDerWaalsContact C-N 3.34Å; E804-Q806 PolarHBondContact O-N 2.88Å; E804-Q807 PolarHBondContact O-N 3.05Å; E804-L808 HydrophobicContact CG-CD1 3.88Å; E804-L808 HydrophobicContact CG-CG 4.36Å; E804-L808 WeakPolarHBondContact O-CB 3.47Å; E804-L808 VanDerWaalsContact O-CG 3.29Å; E804-L808 WeakPolarHBondContact O-CG 3.49Å; E804-L808 PolarHBondContact O-N 3.48Å; E804-R830 IonicContact OE1-NH1 3.98Å; E804-R830 PolarHBondContact OE1-NH1 3.3Å; E804-R830 VanDerWaalsContact OE1-NH1 3.14Å; E804-R869 IonicContact OE1-NE 2.73Å; E804-R869 IonicContact OE2-CZ 2.74Å; E804-R869 IonicContact OE2-NE 3.96Å; E804-R869 PolarHBondContact OE2-NE 3.29Å; E804-R869 IonicContact OE2-NH2 2.73Å
805	A	93.7	Very high	90.5	Very high	3 Å²	3	45.1 Å²	45.1	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-41.5	-177.8	0	0	0	0	0	111.4	L590 I592 T802 F803 L808 Y809	L590-A805 VanDerWaalsContact O-CB 3.3Å; L590-A805 WeakPolarHBondContact O-CB 3.39Å; I592-A805 HydrophobicContact CD1-CB 4Å; I592-A805 HydrophobicContact CG1-CB 3.96Å; T802-A805 PolarHBondContact O-N 2.73Å; T802-A805 VanDerWaalsContact O-N 3.15Å; F803-A805 PolarHBondContact O-N 2.95Å; A805-L808 PolarHBondContact O-N 3.14Å; A805-Y809 WeakPolarHBondContact O-CB 3.44Å; A805-Y809 PolarHBondContact O-N 3.36Å
806	Q	92.9	Very high	91.4	Very high	57 Å²	57	39.1 Å²	39.1	27%	0.266	23%	0.229	S	C	.	.	H	α-helix	trans	-63.7	-47.6	177.1	-167.5	66.2	48.8	0	0	111.1	I797 T802 F803 E804 L808 Y809 D810	I797-Q806 HydrophobicContact CD1-CB 4.16Å; I797-Q806 HydrophobicContact CD1-CG 3.6Å; I797-Q806 HydrophobicContact CG2-CG 4.43Å; T802-Q806 WeakPolarHBondContact O-CB 3.41Å; T802-Q806 PolarHBondContact O-N 2.93Å; F803-Q806 PolarHBondContact O-N 3.13Å; E804-Q806 VanDerWaalsContact C-N 3.34Å; E804-Q806 PolarHBondContact O-N 2.88Å; Q806-L808 VanDerWaalsContact C-N 3.32Å; Q806-L808 PolarHBondContact O-N 2.97Å; Q806-Y809 PolarHBondContact O-N 2.77Å; Q806-Y809 VanDerWaalsContact O-N 3.12Å; Q806-D810 WeakPolarHBondContact CG-OD2 3.19Å; Q806-D810 PolarHBondContact NE2-OD1 3.39Å; Q806-D810 VanDerWaalsContact NE2-OD1 3.16Å; Q806-D810 PolarHBondContact NE2-OD2 3.14Å; Q806-D810 WeakPolarHBondContact O-CB 3.36Å; Q806-D810 VanDerWaalsContact O-CG 3.29Å; Q806-D810 PolarHBondContact O-N 3.22Å
807	Q	93.3	Very high	92.3	Very high	11 Å²	11	36.6 Å²	36.6	5%	0.051	22%	0.217	C	C	.	.	H	α-helix	trans	-58.2	-43.7	176	-75.3	-165.7	-54.6	0	0	112.5	I797 F803 E804 Y809 T811 P921 F922	I797-Q807 HydrophobicContact CD1-CG 4.24Å; F803-Q807 VanDerWaalsContact CE1-CD 3.42Å; F803-Q807 HydrophobicContact CE1-CG 4.22Å; F803-Q807 HydrophobicContact CE2-CG 4.22Å; F803-Q807 HydrophobicContact CZ-CG 4.01Å; F803-Q807 WeakPolarHBondContact O-CG 3.42Å; F803-Q807 PolarHBondContact O-N 2.77Å; E804-Q807 PolarHBondContact O-N 3.05Å; Q807-Y809 VanDerWaalsContact C-N 3.32Å; Q807-T811 WeakPolarHBondContact O-CB 3.3Å; Q807-T811 WeakPolarHBondContact O-CG2 3.47Å; Q807-T811 PolarHBondContact O-N 3.44Å; Q807-P921 HydrophobicContact CB-CB 3.95Å; Q807-P921 HydrophobicContact CB-CG 3.82Å; Q807-F922 PolarHBondContact NE2-O 2.99Å
808	L	95	Very high	93.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.9	-32.1	178.1	-69.9	172.7	0	0	0	112.3	I592 E804 A805 Q806 T811 I814 L834 F836 K838 P921	I592-L808 HydrophobicContact CD1-CD1 3.9Å; E804-L808 HydrophobicContact CG-CD1 3.88Å; E804-L808 HydrophobicContact CG-CG 4.36Å; E804-L808 WeakPolarHBondContact O-CB 3.47Å; E804-L808 VanDerWaalsContact O-CG 3.29Å; E804-L808 WeakPolarHBondContact O-CG 3.49Å; E804-L808 PolarHBondContact O-N 3.48Å; A805-L808 PolarHBondContact O-N 3.14Å; Q806-L808 VanDerWaalsContact C-N 3.32Å; Q806-L808 PolarHBondContact O-N 2.97Å; L808-T811 WeakPolarHBondContact O-CG2 3.47Å; L808-I814 HydrophobicContact CD2-CD1 3.72Å; L808-I814 HydrophobicContact CD2-CG1 3.9Å; L808-L834 HydrophobicContact CD1-CD2 4.19Å; L808-F836 HydrophobicContact CB-CE2 4.18Å; L808-F836 HydrophobicContact CB-CZ 3.75Å; L808-F836 WeakPolarHBondContact O-CE2 3.43Å; L808-K838 WeakPolarHBondContact O-CE 3.31Å; L808-P921 HydrophobicContact CD2-CG 4.13Å
809	Y	92.5	Very high	93.9	Very high	67 Å²	67	29.8 Å²	29.8	26%	0.263	18%	0.176	S	C	.	.	H	α-helix	trans	-71.6	-42.5	176.6	-175.6	-92.4	0	0	0	111.7	E333 P589 A805 Q806 Q807 F836 K838	E333-Y809 PolarHBondContact OE2-OH 3.33Å; P589-Y809 HydrophobicContact CB-CD2 3.94Å; P589-Y809 HydrophobicContact CB-CE2 4.18Å; A805-Y809 WeakPolarHBondContact O-CB 3.44Å; A805-Y809 PolarHBondContact O-N 3.36Å; Q806-Y809 PolarHBondContact O-N 2.77Å; Q806-Y809 VanDerWaalsContact O-N 3.12Å; Q807-Y809 VanDerWaalsContact C-N 3.32Å; Y809-F836 AromaticContact CD2-CD1 3.7Å; Y809-F836 HydrophobicContact CD2-CD1 3.7Å; Y809-F836 AromaticContact CD2-CE1 3.96Å; Y809-F836 HydrophobicContact CD2-CE1 3.96Å; Y809-F836 HydrophobicContact CD2-CG 4.06Å; Y809-F836 HydrophobicContact CE2-CD1 4.48Å; Y809-K838 WeakPolarHBondContact O-CE 3.45Å; Y809-K838 PolarHBondContact O-NZ 3.49Å
810	D	91.5	Very high	94.7	Very high	73 Å²	73	26.6 Å²	26.6	39%	0.39	16%	0.155	S	C	.	.	H	α-helix	trans	-79.4	-30.4	-174	-64.4	-24.7	0	0	0	113	N790 Q806	N790-D810 PolarHBondContact ND2-O 3.02Å; Q806-D810 WeakPolarHBondContact CG-OD2 3.19Å; Q806-D810 PolarHBondContact NE2-OD1 3.39Å; Q806-D810 VanDerWaalsContact NE2-OD1 3.16Å; Q806-D810 PolarHBondContact NE2-OD2 3.14Å; Q806-D810 WeakPolarHBondContact O-CB 3.36Å; Q806-D810 VanDerWaalsContact O-CG 3.29Å; Q806-D810 PolarHBondContact O-N 3.22Å
811	T	94.5	Very high	95.2	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.031	14%	0.135	C	C	.	.			trans	-66.5	144.6	-178.9	-165.7	0	0	0	0	112.4	N790 Q807 L808 M813 I814 K838 P921	N790-T811 VanDerWaalsContact OD1-CA 3.24Å; N790-T811 WeakPolarHBondContact OD1-CA 3.41Å; Q807-T811 WeakPolarHBondContact O-CB 3.3Å; Q807-T811 WeakPolarHBondContact O-CG2 3.47Å; Q807-T811 PolarHBondContact O-N 3.44Å; L808-T811 WeakPolarHBondContact O-CG2 3.47Å; T811-M813 PolarHBondContact OG1-O 3.01Å; T811-M813 VanDerWaalsContact OG1-O 3.11Å; T811-I814 HydrophobicContact CG2-CG1 4.26Å; T811-K838 WeakPolarHBondContact O-CD 3.4Å; T811-K838 WeakPolarHBondContact O-CE 3.42Å; T811-K838 PolarHBondContact O-NZ 3.04Å; T811-P921 HydrophobicContact CG2-CG 4.22Å
812	N	97.1	Very high	95.8	Very high	22 Å²	22	18 Å²	18	12%	0.118	9%	0.092	C	C	.	.	S	Bend	trans	-79	-31	174.5	66.7	-33.7	0	0	0	112.8	S750 L788 C789 N790 P839	S750-N812 WeakPolarHBondContact O-CB 3.47Å; S750-N812 PolarHBondContact O-ND2 3.08Å; L788-N812 PolarHBondContact O-ND2 3.12Å; C789-N812 VanDerWaalsContact CA-OD1 3.24Å; C789-N812 WeakPolarHBondContact CA-OD1 3.46Å; N790-N812 PolarHBondContact N-OD1 3.34Å; N790-N812 PolarHBondContact OD1-N 2.94Å; N790-N812 PolarHBondContact OD1-OD1 3.34Å; N812-P839 WeakPolarHBondContact O-CD 3.36Å
813	M	98.2	Very high	96.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.075	C	C	.	.			trans	-147.1	142.2	-178.8	-63.3	-172.4	-66.6	0	0	111.2	I749 L788 T811 P839 I841	I749-M813 HydrophobicContact CG2-SD 3.86Å; L788-M813 HydrophobicContact CB-CE 3.5Å; L788-M813 VanDerWaalsContact CB-CE 3.5Å; T811-M813 PolarHBondContact OG1-O 3.01Å; T811-M813 VanDerWaalsContact OG1-O 3.11Å; M813-P839 HydrophobicContact CG-CB 4.22Å; M813-P839 HydrophobicContact CG-CG 4.41Å; M813-I841 HydrophobicContact SD-CG1 4.38Å
814	I	98.6	Very high	96.5	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.9	171.1	-58.1	163.8	0	0	0	108.1	L808 T811 K838 P839 L840 I841 Q918 S920	L808-I814 HydrophobicContact CD2-CD1 3.72Å; L808-I814 HydrophobicContact CD2-CG1 3.9Å; T811-I814 HydrophobicContact CG2-CG1 4.26Å; I814-K838 HydrophobicContact CD1-CB 4.07Å; I814-K838 HydrophobicContact CG1-CB 4.29Å; I814-P839 PolarHBondContact N-O 3.1Å; I814-L840 HydrophobicContact CB-CD1 3.75Å; I814-L840 HydrophobicContact CG2-CD1 3.5Å; I814-L840 CarbonylContact O-C 3.54Å; I814-L840 WeakPolarHBondContact O-CA 3.5Å; I814-I841 PolarHBondContact O-N 3.23Å; I814-Q918 HydrophobicContact CG2-CG 4.48Å; I814-S920 WeakPolarHBondContact CA-O 3.48Å
815	V	98.8	Very high	96.7	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.8	177	-175	0	0	0	0	109.5	L782 F785 L786 C789 I841 L919 S920	L782-V815 HydrophobicContact CD1-CG1 3.43Å; L782-V815 VanDerWaalsContact CD1-CG1 3.43Å; F785-V815 HydrophobicContact CB-CG2 4.37Å; L786-V815 HydrophobicContact CD2-CB 3.93Å; L786-V815 HydrophobicContact CD2-CG1 3.88Å; L786-V815 HydrophobicContact CD2-CG2 4.21Å; L786-V815 HydrophobicContact CG-CG1 4.39Å; C789-V815 VanDerWaalsContact SG-CG2 3.6Å; V815-I841 WeakPolarHBondContact CA-O 3.4Å; V815-I841 HydrophobicContact CG2-CB 4.29Å; V815-L919 PolarHBondContact O-N 3.3Å; V815-S920 PolarHBondContact N-O 3.37Å; V815-S920 PolarHBondContact O-N 2.77Å
816	A	98.7	Very high	97	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151.7	-176.1	0	0	0	0	0	112.7	L827 L840 I841 V842 M843 E917	A816-L827 HydrophobicContact CB-CD2 3.62Å; A816-L840 HydrophobicContact CB-CD1 4.49Å; A816-I841 PolarHBondContact N-O 3.01Å; A816-V842 WeakPolarHBondContact O-CA 3.3Å; A816-M843 PolarHBondContact O-N 3.36Å; A816-E917 CarbonylContact C-O 3.58Å; A816-E917 WeakPolarHBondContact CA-O 3.31Å; A816-E917 WeakPolarHBondContact CB-O 3.46Å
817	N	98.5	Very high	97.3	Very high	12 Å²	12	10.3 Å²	10.3	6%	0.064	5%	0.051	C	C	.	.			trans	-139.2	78.6	176.2	-175.3	2.1	0	0	0	108.4	M843 S891 G892 E917 L919	N817-M843 HydrophobicContact CB-CB 3.85Å; N817-M843 HydrophobicContact CB-CG 4.18Å; N817-S891 WeakPolarHBondContact CB-OG 3.42Å; N817-G892 VanDerWaalsContact CG-CA 3.45Å; N817-G892 WeakPolarHBondContact ND2-CA 3.32Å; N817-G892 PolarHBondContact ND2-N 2.88Å; N817-G892 WeakPolarHBondContact OD1-CA 3.13Å; N817-E917 PolarHBondContact N-O 2.93Å; N817-L919 HydrophobicContact CB-CD1 4.44Å
818	C	98.5	Very high	97.5	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.007	5%	0.049	C	C	.	.			trans	-67.8	146.4	-172.3	-62.8	0	0	0	0	111.8	W640 F824 E917	W640-C818 HydrophobicContact CH2-CB 3.81Å; W640-C818 WeakPolarHBondContact CH2-O 3.43Å; W640-C818 HydrophobicContact CZ2-CB 4.29Å; C818-F824 HydrophobicContact CB-CB 4.38Å; C818-E917 WeakPolarHBondContact CA-OE2 3.28Å
819	T	98.5	Very high	97.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.			trans	-107.8	-18.4	175.1	58.6	0	0	0	0	113.9	G892 Y896 R915 E917	T819-G892 VanDerWaalsContact CG2-O 3.23Å; T819-G892 WeakPolarHBondContact CG2-O 3.43Å; T819-Y896 PolarHBondContact O-OH 2.89Å; T819-R915 VanDerWaalsContact OG1-CD 3.26Å; T819-R915 WeakPolarHBondContact OG1-CD 3.33Å; T819-R915 PolarHBondContact OG1-NH1 3.34Å; T819-E917 VanDerWaalsContact CB-OE1 3.26Å; T819-E917 WeakPolarHBondContact CB-OE1 3.31Å; T819-E917 WeakPolarHBondContact CG2-OE1 3.15Å; T819-E917 PolarHBondContact N-OE1 3.08Å; T819-E917 VanDerWaalsContact N-OE1 3.14Å; T819-E917 PolarHBondContact N-OE2 2.99Å; T819-E917 PolarHBondContact OG1-OE1 2.94Å
820	T	98.4	Very high	97.9	Very high	17 Å²	17	7.1 Å²	7.1	10%	0.104	4%	0.038	C	C	.	.	S	Bend	trans	-122.5	148.1	-178.6	75.1	0	0	0	0	112.9	A822 N823 F824 I871	T820-A822 VanDerWaalsContact C-N 3.3Å; T820-A822 PolarHBondContact O-N 3.15Å; T820-N823 PolarHBondContact O-N 3.02Å; T820-N823 WeakPolarHBondContact OG1-CB 3.4Å; T820-N823 PolarHBondContact OG1-N 2.85Å; T820-F824 PolarHBondContact O-N 3.01Å; T820-F824 VanDerWaalsContact O-N 3.16Å; T820-I871 HydrophobicContact CG2-CD1 4.39Å
821	P	98.5	Very high	98.2	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-55.8	-39.8	174.3	-29.3	37.5	0	0	0	114	D639 W640 F824 F825 A854 S856 Y861	D639-P821 WeakPolarHBondContact O-CB 3.26Å; W640-P821 HydrophobicContact CE3-CG 4.18Å; P821-F824 PolarHBondContact O-N 2.69Å; P821-F825 PolarHBondContact O-N 3.13Å; P821-A854 WeakPolarHBondContact CG-O 3.49Å; P821-S856 WeakPolarHBondContact CD-OG 3.33Å; P821-Y861 VanDerWaalsContact C-OH 3.31Å; P821-Y861 VanDerWaalsContact CB-OH 3.3Å; P821-Y861 WeakPolarHBondContact CB-OH 3Å
822	A	98.6	Very high	98.3	Very high	2 Å²	2	4.4 Å²	4.4	2%	0.017	2%	0.024	C	C	.	.	H	α-helix	trans	-66.4	-37.9	178.7	0	0	0	0	0	112.7	T820 F824 F825 H826 S856 D860 Y861	T820-A822 VanDerWaalsContact C-N 3.3Å; T820-A822 PolarHBondContact O-N 3.15Å; A822-F824 VanDerWaalsContact C-N 3.35Å; A822-F825 WeakPolarHBondContact O-CB 3.44Å; A822-F825 PolarHBondContact O-N 2.73Å; A822-H826 PolarHBondContact O-CD2 2.74Å; A822-H826 PolarHBondContact O-N 3.35Å; A822-S856 WeakPolarHBondContact CB-OG 3.48Å; A822-S856 PolarHBondContact N-OG 3.49Å; A822-S856 VanDerWaalsContact N-OG 3.1Å; A822-D860 HydrophobicContact CB-CB 3.58Å; A822-Y861 VanDerWaalsContact CA-CZ 3.48Å; A822-Y861 WeakPolarHBondContact CA-OH 3.18Å; A822-Y861 HydrophobicContact CB-CD1 4.37Å; A822-Y861 HydrophobicContact CB-CD2 4.23Å; A822-Y861 HydrophobicContact CB-CE1 3.94Å; A822-Y861 HydrophobicContact CB-CE2 3.8Å; A822-Y861 HydrophobicContact CB-CG 4.49Å; A822-Y861 PolarHBondContact N-OH 2.98Å; A822-Y861 VanDerWaalsContact N-OH 3.13Å
823	N	98.3	Very high	98.2	Very high	2 Å²	2	5.5 Å²	5.5	1%	0.011	3%	0.029	C	C	.	.	H	α-helix	trans	-68.9	-38.4	178.2	-147	35.4	0	0	0	111.1	T820 F825 H826 L827 Y867 R868 E917	T820-N823 PolarHBondContact O-N 3.02Å; T820-N823 WeakPolarHBondContact OG1-CB 3.4Å; T820-N823 PolarHBondContact OG1-N 2.85Å; N823-F825 PolarHBondContact O-N 3.32Å; N823-H826 PolarHBondContact O-N 2.93Å; N823-L827 WeakPolarHBondContact O-CB 3.45Å; N823-L827 PolarHBondContact O-N 3.39Å; N823-Y867 HydrophobicContact CB-CE2 4.45Å; N823-Y867 VanDerWaalsContact CG-CE2 3.47Å; N823-Y867 VanDerWaalsContact ND2-CE2 3.27Å; N823-Y867 WeakPolarHBondContact ND2-CE2 3.47Å; N823-Y867 VanDerWaalsContact O-CD2 3.3Å; N823-Y867 WeakPolarHBondContact O-CD2 3.46Å; N823-Y867 WeakPolarHBondContact OD1-CD2 3.36Å; N823-R868 PolarHBondContact ND2-O 3.18Å; N823-R868 PolarHBondContact OD1-N 2.74Å; N823-E917 WeakPolarHBondContact ND2-CB 3.29Å; N823-E917 VanDerWaalsContact ND2-CG 3.28Å; N823-E917 WeakPolarHBondContact ND2-CG 3.43Å; N823-E917 PolarHBondContact ND2-OE2 3.31Å
824	F	98.7	Very high	98	Very high	1 Å²	1	5.8 Å²	5.8	0%	0.004	3%	0.031	C	C	.	.	H	α-helix	trans	-61.6	-42.2	172.3	-176	-122.2	0	0	0	112.1	W640 E644 L765 C818 T820 P821 A822 H826 L827 L828 V842 T844	W640-F824 AromaticContact CD1-CD1 4Å; W640-F824 AromaticContact CE2-CD1 3.83Å; W640-F824 AromaticContact CE2-CG 3.89Å; W640-F824 HydrophobicContact CH2-CB 4.26Å; W640-F824 HydrophobicContact CZ2-CB 3.7Å; W640-F824 HydrophobicContact CZ2-CD1 4.18Å; W640-F824 HydrophobicContact CZ2-CD2 4.14Å; W640-F824 AromaticContact CZ2-CG 3.75Å; W640-F824 HydrophobicContact CZ2-CG 3.75Å; W640-F824 AromaticContact NE1-CD1 3.28Å; W640-F824 VanDerWaalsContact NE1-CD1 3.28Å; W640-F824 AromaticContact NE1-CE1 3.53Å; W640-F824 AromaticContact NE1-CG 3.78Å; E644-F824 HydrophobicContact CB-CD1 4.49Å; E644-F824 HydrophobicContact CB-CE1 4.07Å; E644-F824 HydrophobicContact CG-CE1 4.2Å; L765-F824 HydrophobicContact CD1-CZ 4.3Å; L765-F824 HydrophobicContact CD2-CE2 3.89Å; L765-F824 HydrophobicContact CD2-CZ 3.92Å; C818-F824 HydrophobicContact CB-CB 4.38Å; T820-F824 PolarHBondContact O-N 3.01Å; T820-F824 VanDerWaalsContact O-N 3.16Å; P821-F824 PolarHBondContact O-N 2.69Å; A822-F824 VanDerWaalsContact C-N 3.35Å; F824-H826 PolarHBondContact O-N 3.07Å; F824-L827 PolarHBondContact O-N 2.85Å; F824-L828 HydrophobicContact CD1-CD1 4.06Å; F824-L828 HydrophobicContact CD2-CD1 4.47Å; F824-L828 HydrophobicContact CD2-CG 4.44Å; F824-L828 HydrophobicContact CE1-CD1 3.62Å; F824-L828 HydrophobicContact CE2-CD1 4.07Å; F824-L828 HydrophobicContact CE2-CD2 4.21Å; F824-L828 HydrophobicContact CE2-CG 4.09Å; F824-L828 HydrophobicContact CG-CD1 4.47Å; F824-L828 HydrophobicContact CZ-CD1 3.63Å; F824-L828 HydrophobicContact CZ-CD2 4.26Å; F824-L828 HydrophobicContact CZ-CG 4.13Å; F824-L828 WeakPolarHBondContact O-CG 3.3Å; F824-L828 PolarHBondContact O-N 3.1Å; F824-L828 VanDerWaalsContact O-N 3.11Å; F824-V842 HydrophobicContact CD2-CG1 4.29Å; F824-V842 HydrophobicContact CE2-CG1 4.13Å; F824-T844 HydrophobicContact CE2-CG2 4.42Å
825	F	98.8	Very high	97.8	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-55.9	-50.9	173.1	163	-87.9	0	0	0	112.4	S595 V597 F646 A647 P821 A822 N823 L827 L828 R829 Y861	S595-F825 WeakPolarHBondContact O-CE1 3.34Å; V597-F825 HydrophobicContact CG1-CZ 3.97Å; V597-F825 HydrophobicContact CG2-CZ 3.9Å; F646-F825 VanDerWaalsContact C-CE2 3.48Å; F646-F825 HydrophobicContact CB-CD2 3.67Å; F646-F825 HydrophobicContact CB-CE2 3.73Å; A647-F825 VanDerWaalsContact CA-CD2 3.42Å; A647-F825 HydrophobicContact CB-CB 4.39Å; A647-F825 HydrophobicContact CB-CD2 3.64Å; A647-F825 HydrophobicContact CB-CE2 4.3Å; A647-F825 HydrophobicContact CB-CG 4.29Å; P821-F825 PolarHBondContact O-N 3.13Å; A822-F825 WeakPolarHBondContact O-CB 3.44Å; A822-F825 PolarHBondContact O-N 2.73Å; N823-F825 PolarHBondContact O-N 3.32Å; F825-L827 VanDerWaalsContact C-N 3.31Å; F825-L827 PolarHBondContact O-N 3.39Å; F825-L828 PolarHBondContact O-N 3.38Å; F825-R829 VanDerWaalsContact CE2-CD 3.47Å; F825-R829 HydrophobicContact CZ-CG 4.46Å; F825-R829 PolarHBondContact O-N 3.13Å; F825-R829 VanDerWaalsContact O-N 3.1Å; F825-Y861 HydrophobicContact CB-CD1 3.93Å; F825-Y861 HydrophobicContact CB-CE1 3.57Å; F825-Y861 AromaticContact CD1-CD1 3.53Å; F825-Y861 HydrophobicContact CD1-CD1 3.53Å; F825-Y861 HydrophobicContact CD1-CE1 4.11Å; F825-Y861 AromaticContact CD2-CD1 3.82Å; F825-Y861 HydrophobicContact CD2-CD1 3.82Å; F825-Y861 HydrophobicContact CD2-CE1 4.06Å; F825-Y861 AromaticContact CE1-CD1 3.92Å; F825-Y861 HydrophobicContact CE1-CD1 3.92Å; F825-Y861 HydrophobicContact CE2-CD1 4.19Å; F825-Y861 AromaticContact CG-CD1 3.5Å; F825-Y861 HydrophobicContact CG-CD1 3.5Å; F825-Y861 VanDerWaalsContact CG-CD1 3.5Å; F825-Y861 AromaticContact CG-CE1 3.68Å; F825-Y861 HydrophobicContact CG-CE1 3.68Å; F825-Y861 HydrophobicContact CZ-CD1 4.24Å
826	H	98.8	Very high	97.6	Very high	3 Å²	3	6.7 Å²	6.7	1%	0.014	4%	0.037	C	C	.	.	H	α-helix	trans	-66	-35.9	-178.7	-75.5	-57.3	0	0	0	112.4	S595 A822 N823 F824 R830 D860 T865 S866 Y867	S595-H826 WeakPolarHBondContact OG-CB 3.4Å; S595-H826 PolarHBondContact OG-ND1 3.46Å; A822-H826 PolarHBondContact O-CD2 2.74Å; A822-H826 PolarHBondContact O-N 3.35Å; N823-H826 PolarHBondContact O-N 2.93Å; F824-H826 PolarHBondContact O-N 3.07Å; H826-R830 WeakPolarHBondContact O-CB 3.38Å; H826-R830 PolarHBondContact O-N 3.17Å; H826-D860 PolarHBondContact NE2-O 2.66Å; H826-T865 PolarHBondContact CE1-OG1 2.8Å; H826-T865 WeakPolarHBondContact NE2-CB 3.32Å; H826-T865 PolarHBondContact NE2-OG1 3.11Å; H826-S866 PolarHBondContact CD2-O 3.35Å; H826-Y867 HydrophobicContact CB-CD2 4.39Å
827	L	98.5	Very high	97.5	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-61.6	-47.8	177.3	-176.8	59.1	0	0	0	111.3	A816 N823 F824 F825 R830 Q831 L840 V842 Y867	A816-L827 HydrophobicContact CB-CD2 3.62Å; N823-L827 WeakPolarHBondContact O-CB 3.45Å; N823-L827 PolarHBondContact O-N 3.39Å; F824-L827 PolarHBondContact O-N 2.85Å; F825-L827 VanDerWaalsContact C-N 3.31Å; F825-L827 PolarHBondContact O-N 3.39Å; L827-R830 VanDerWaalsContact CD1-NH2 3.34Å; L827-R830 PolarHBondContact O-N 3.16Å; L827-Q831 PolarHBondContact O-N 2.97Å; L827-L840 HydrophobicContact CD1-CD1 3.88Å; L827-L840 HydrophobicContact CD1-CD2 4.02Å; L827-L840 HydrophobicContact CD2-CD1 4.12Å; L827-L840 HydrophobicContact CD2-CD2 3.97Å; L827-L840 HydrophobicContact CG-CD1 4.2Å; L827-L840 HydrophobicContact CG-CD2 3.64Å; L827-V842 HydrophobicContact CD2-CG1 4.37Å; L827-V842 HydrophobicContact CD2-CG2 4Å; L827-Y867 HydrophobicContact CB-CD2 3.65Å; L827-Y867 HydrophobicContact CB-CE2 3.67Å; L827-Y867 HydrophobicContact CD1-CD2 4.17Å; L827-Y867 HydrophobicContact CD1-CE1 4.33Å; L827-Y867 HydrophobicContact CD1-CE2 3.89Å; L827-Y867 HydrophobicContact CD2-CE2 4.2Å; L827-Y867 HydrophobicContact CG-CD2 4.43Å; L827-Y867 HydrophobicContact CG-CE2 4.12Å
828	L	98.7	Very high	97.4	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-63.9	-43.7	178.7	-69.5	171.6	0	0	0	112.2	A647 F648 L727 V763 F824 F825 Q831	A647-L828 HydrophobicContact CB-CB 4.09Å; A647-L828 HydrophobicContact CB-CD1 3.9Å; F648-L828 HydrophobicContact CD1-CD1 4.42Å; F648-L828 HydrophobicContact CE1-CD1 3.75Å; L727-L828 HydrophobicContact CD2-CB 4.39Å; L727-L828 HydrophobicContact CD2-CD2 4.5Å; V763-L828 HydrophobicContact CG1-CD2 4.14Å; F824-L828 HydrophobicContact CD1-CD1 4.06Å; F824-L828 HydrophobicContact CD2-CD1 4.47Å; F824-L828 HydrophobicContact CD2-CG 4.44Å; F824-L828 HydrophobicContact CE1-CD1 3.62Å; F824-L828 HydrophobicContact CE2-CD1 4.07Å; F824-L828 HydrophobicContact CE2-CD2 4.21Å; F824-L828 HydrophobicContact CE2-CG 4.09Å; F824-L828 HydrophobicContact CG-CD1 4.47Å; F824-L828 HydrophobicContact CZ-CD1 3.63Å; F824-L828 HydrophobicContact CZ-CD2 4.26Å; F824-L828 HydrophobicContact CZ-CG 4.13Å; F824-L828 WeakPolarHBondContact O-CG 3.3Å; F824-L828 PolarHBondContact O-N 3.1Å; F824-L828 VanDerWaalsContact O-N 3.11Å; F825-L828 PolarHBondContact O-N 3.38Å; L828-Q831 WeakPolarHBondContact O-CB 3.29Å; L828-Q831 PolarHBondContact O-N 3.37Å
829	R	98.4	Very high	97.4	Very high	5 Å²	5	6.7 Å²	6.7	2%	0.019	4%	0.036	C	C	.	.	H	α-helix	trans	-67.3	-37.8	176.6	-74.2	179.4	60.2	68.5	3.1	112.2	S595 V597 A647 S650 L651 E654 F825 Q831 V832 L833	S595-R829 WeakPolarHBondContact O-CD 3.27Å; S595-R829 PolarHBondContact O-NE 3.1Å; V597-R829 VanDerWaalsContact CG1-CZ 3.49Å; A647-R829 HydrophobicContact CB-CG 4.46Å; S650-R829 PolarHBondContact OG-NH1 3.35Å; L651-R829 HydrophobicContact CD1-CG 4.33Å; L651-R829 HydrophobicContact CD2-CG 4.29Å; L651-R829 HydrophobicContact CG-CG 4.13Å; E654-R829 VanDerWaalsContact CD-NH1 3.31Å; E654-R829 IonicContact OE1-CZ 3.68Å; E654-R829 IonicContact OE1-NH1 2.78Å; E654-R829 PolarHBondContact OE1-NH1 3.35Å; E654-R829 VanDerWaalsContact OE1-NH1 3.15Å; E654-R829 IonicContact OE1-NH2 3.58Å; E654-R829 PolarHBondContact OE1-NH2 3.33Å; E654-R829 IonicContact OE2-CZ 3.73Å; E654-R829 IonicContact OE2-NH1 2.78Å; E654-R829 PolarHBondContact OE2-NH1 3.22Å; E654-R829 IonicContact OE2-NH2 3.66Å; E654-R829 PolarHBondContact OE2-NH2 3.1Å; F825-R829 VanDerWaalsContact CE2-CD 3.47Å; F825-R829 HydrophobicContact CZ-CG 4.46Å; F825-R829 PolarHBondContact O-N 3.13Å; F825-R829 VanDerWaalsContact O-N 3.1Å; R829-Q831 VanDerWaalsContact C-N 3.26Å; R829-Q831 PolarHBondContact O-N 2.93Å; R829-V832 PolarHBondContact O-N 3.19Å; R829-V832 VanDerWaalsContact O-N 3.13Å; R829-L833 HydrophobicContact CB-CD1 4.46Å; R829-L833 WeakPolarHBondContact O-CG 3.49Å; R829-L833 PolarHBondContact O-N 3.04Å
830	R	97.7	Very high	97.5	Very high	7 Å²	7	6.7 Å²	6.7	3%	0.026	4%	0.036	C	C	.	.	H	α-helix	trans	-56.7	-40.7	175.8	-174.1	175.6	68.2	163.4	2.1	111.2	E804 H826 L827 V832 L833 L834 Y867	E804-R830 IonicContact OE1-NH1 3.98Å; E804-R830 PolarHBondContact OE1-NH1 3.3Å; E804-R830 VanDerWaalsContact OE1-NH1 3.14Å; H826-R830 WeakPolarHBondContact O-CB 3.38Å; H826-R830 PolarHBondContact O-N 3.17Å; L827-R830 VanDerWaalsContact CD1-NH2 3.34Å; L827-R830 PolarHBondContact O-N 3.16Å; R830-V832 PolarHBondContact O-N 3.22Å; R830-V832 VanDerWaalsContact O-N 3.15Å; R830-L833 PolarHBondContact O-N 3.38Å; R830-L834 HydrophobicContact CG-CD1 4.39Å; R830-L834 HydrophobicContact CG-CG 4.2Å; R830-L834 VanDerWaalsContact O-CG 3.29Å; R830-L834 WeakPolarHBondContact O-CG 3.47Å; R830-L834 PolarHBondContact O-N 3.49Å; R830-Y867 VanDerWaalsContact CZ-CD1 3.43Å; R830-Y867 VanDerWaalsContact NH1-CD1 3.3Å
831	Q	96.9	Very high	97.5	Very high	4 Å²	4	5.9 Å²	5.9	2%	0.019	3%	0.032	C	C	.	.	H	α-helix	trans	-53.4	-37.2	177.8	-73.7	-64.7	103	0	0	113.6	L727 V763 L827 L828 R829 R837 K838 L840	L727-Q831 HydrophobicContact CD1-CB 4.19Å; V763-Q831 HydrophobicContact CG2-CG 4.13Å; L827-Q831 PolarHBondContact O-N 2.97Å; L828-Q831 WeakPolarHBondContact O-CB 3.29Å; L828-Q831 PolarHBondContact O-N 3.37Å; R829-Q831 VanDerWaalsContact C-N 3.26Å; R829-Q831 PolarHBondContact O-N 2.93Å; Q831-R837 PolarHBondContact O-NH1 2.93Å; Q831-K838 PolarHBondContact NE2-O 2.85Å; Q831-L840 HydrophobicContact CG-CB 4.17Å; Q831-L840 HydrophobicContact CG-CD2 3.54Å; Q831-L840 HydrophobicContact CG-CG 4.45Å
832	V	96.3	Very high	97.5	Very high	16 Å²	16	5.9 Å²	5.9	10%	0.097	3%	0.032	C	C	.	.	H	α-helix	trans	-84.8	-38.4	-179.3	-177.4	0	0	0	0	111.6	L651 V656 L727 R829 R830 L834 R837	L651-V832 HydrophobicContact CD1-CG2 4.04Å; L651-V832 HydrophobicContact CD2-CB 3.98Å; L651-V832 HydrophobicContact CD2-CG1 4.17Å; L651-V832 HydrophobicContact CD2-CG2 4Å; V656-V832 HydrophobicContact CB-CG1 4.5Å; V656-V832 HydrophobicContact CG1-CG1 3.99Å; V656-V832 HydrophobicContact CG1-CG2 4.15Å; V656-V832 HydrophobicContact CG2-CG1 3.74Å; L727-V832 HydrophobicContact CB-CG2 3.87Å; L727-V832 HydrophobicContact CD1-CG2 4.27Å; R829-V832 PolarHBondContact O-N 3.19Å; R829-V832 VanDerWaalsContact O-N 3.13Å; R830-V832 PolarHBondContact O-N 3.22Å; R830-V832 VanDerWaalsContact O-N 3.15Å; V832-L834 VanDerWaalsContact C-N 3.32Å; V832-L834 PolarHBondContact O-N 3.33Å; V832-R837 PolarHBondContact O-NH1 3.09Å; V832-R837 PolarHBondContact O-NH2 2.97Å
833	L	95.2	Very high	97.5	Very high	45 Å²	45	5.8 Å²	5.8	24%	0.236	3%	0.031	C	C	.	.	H	α-helix	trans	-72.6	-21.5	-176.9	-68.9	171.2	0	0	0	113.9	R829 R830	R829-L833 HydrophobicContact CB-CD1 4.46Å; R829-L833 WeakPolarHBondContact O-CG 3.49Å; R829-L833 PolarHBondContact O-N 3.04Å; R830-L833 PolarHBondContact O-N 3.38Å
834	L	95.3	Very high	97.5	Very high	7 Å²	7	6 Å²	6	4%	0.037	3%	0.032	C	C	.	.	S	Bend	trans	-58.2	148.7	173.8	-74.5	169.5	0	0	0	111.4	L808 R830 V832 F836 R837	L808-L834 HydrophobicContact CD1-CD2 4.19Å; R830-L834 HydrophobicContact CG-CD1 4.39Å; R830-L834 HydrophobicContact CG-CG 4.2Å; R830-L834 VanDerWaalsContact O-CG 3.29Å; R830-L834 WeakPolarHBondContact O-CG 3.47Å; R830-L834 PolarHBondContact O-N 3.49Å; V832-L834 VanDerWaalsContact C-N 3.32Å; V832-L834 PolarHBondContact O-N 3.33Å; L834-F836 WeakPolarHBondContact CB-O 3.4Å; L834-F836 HydrophobicContact CD1-CE2 4.15Å; L834-F836 HydrophobicContact CD1-CZ 4.45Å; L834-F836 HydrophobicContact CD2-CE1 4.25Å; L834-F836 HydrophobicContact CD2-CE2 4.41Å; L834-F836 HydrophobicContact CD2-CZ 3.91Å; L834-F836 PolarHBondContact O-N 3.43Å; L834-R837 PolarHBondContact O-NH1 3.34Å
835	S	93.9	Very high	97.5	Very high	15 Å²	15	6.5 Å²	6.5	11%	0.105	4%	0.036	C	C	.	.	S	Bend	trans	-79.9	1.7	177.3	-58.4	0	0	0	0	113.9	F583 D588	F583-S835 VanDerWaalsContact CE1-O 3.22Å; F583-S835 WeakPolarHBondContact CE1-O 3.35Å; D588-S835 VanDerWaalsContact O-CB 3.31Å; D588-S835 WeakPolarHBondContact O-CB 3.38Å; D588-S835 PolarHBondContact O-OG 3.11Å
836	F	94.7	Very high	97.4	Very high	3 Å²	3	6.9 Å²	6.9	1%	0.013	4%	0.037	C	C	.	.	S	Bend	trans	-146.7	173	-179.9	54.1	-94.3	0	0	0	108.6	F584 P589 L808 Y809 L834 K838	F584-F836 HydrophobicContact CE1-CB 4.48Å; P589-F836 HydrophobicContact CB-CD1 4.31Å; L808-F836 HydrophobicContact CB-CE2 4.18Å; L808-F836 HydrophobicContact CB-CZ 3.75Å; L808-F836 WeakPolarHBondContact O-CE2 3.43Å; Y809-F836 AromaticContact CD2-CD1 3.7Å; Y809-F836 HydrophobicContact CD2-CD1 3.7Å; Y809-F836 AromaticContact CD2-CE1 3.96Å; Y809-F836 HydrophobicContact CD2-CE1 3.96Å; Y809-F836 HydrophobicContact CD2-CG 4.06Å; Y809-F836 HydrophobicContact CE2-CD1 4.48Å; L834-F836 WeakPolarHBondContact CB-O 3.4Å; L834-F836 HydrophobicContact CD1-CE2 4.15Å; L834-F836 HydrophobicContact CD1-CZ 4.45Å; L834-F836 HydrophobicContact CD2-CE1 4.25Å; L834-F836 HydrophobicContact CD2-CE2 4.41Å; L834-F836 HydrophobicContact CD2-CZ 3.91Å; L834-F836 PolarHBondContact O-N 3.43Å; F836-K838 HydrophobicContact CD2-CG 3.91Å; F836-K838 HydrophobicContact CE2-CG 3.85Å
837	R	96.4	Very high	97.3	Very high	4 Å²	4	9.1 Å²	9.1	2%	0.015	5%	0.054	C	C	.	.			trans	-121	129.9	179	-64	-66	172.5	-97.6	2.6	111.4	W580 P724 Q759 S760 Q831 V832 L834	W580-R837 HydrophobicContact CH2-CB 4.44Å; W580-R837 HydrophobicContact CH2-CG 4.2Å; W580-R837 HydrophobicContact CZ3-CB 4.06Å; W580-R837 HydrophobicContact CZ3-CG 3.83Å; P724-R837 HydrophobicContact CB-CG 4.4Å; P724-R837 PolarHBondContact O-NE 2.91Å; P724-R837 PolarHBondContact O-NH2 3.08Å; Q759-R837 HydrophobicContact CB-CB 4.15Å; Q759-R837 WeakPolarHBondContact CB-O 3.36Å; S760-R837 CarbonylContact O-C 3.19Å; Q831-R837 PolarHBondContact O-NH1 2.93Å; V832-R837 PolarHBondContact O-NH1 3.09Å; V832-R837 PolarHBondContact O-NH2 2.97Å; L834-R837 PolarHBondContact O-NH1 3.34Å
838	K	97.2	Very high	97.3	Very high	4 Å²	4	9.4 Å²	9.4	2%	0.017	6%	0.055	C	C	.	.			trans	-127.6	142.2	171.4	-63.4	-62.6	-177.3	164.5	0	109.2	S760 L808 Y809 T811 I814 Q831 F836	S760-K838 CarbonylContact O-C 3.55Å; S760-K838 WeakPolarHBondContact O-CA 3.42Å; S760-K838 PolarHBondContact O-N 3.48Å; L808-K838 WeakPolarHBondContact O-CE 3.31Å; Y809-K838 WeakPolarHBondContact O-CE 3.45Å; Y809-K838 PolarHBondContact O-NZ 3.49Å; T811-K838 WeakPolarHBondContact O-CD 3.4Å; T811-K838 WeakPolarHBondContact O-CE 3.42Å; T811-K838 PolarHBondContact O-NZ 3.04Å; I814-K838 HydrophobicContact CD1-CB 4.07Å; I814-K838 HydrophobicContact CG1-CB 4.29Å; Q831-K838 PolarHBondContact NE2-O 2.85Å; F836-K838 HydrophobicContact CD2-CG 3.91Å; F836-K838 HydrophobicContact CE2-CG 3.85Å
839	P	98.7	Very high	97.2	Very high	5 Å²	5	9.8 Å²	9.8	3%	0.032	6%	0.057	C	C	.	.			trans	-58.2	144.8	167.7	-23.5	33.7	0	0	0	111.4	I749 S760 I762 N812 M813 I814	I749-P839 HydrophobicContact CG2-CB 3.44Å; I749-P839 VanDerWaalsContact CG2-CB 3.44Å; I749-P839 HydrophobicContact CG2-CG 3.67Å; S760-P839 VanDerWaalsContact O-CD 3.32Å; S760-P839 WeakPolarHBondContact O-CD 3.42Å; I762-P839 HydrophobicContact CG2-CB 3.9Å; I762-P839 HydrophobicContact CG2-CG 4.26Å; I762-P839 WeakPolarHBondContact O-CA 3.41Å; N812-P839 WeakPolarHBondContact O-CD 3.36Å; M813-P839 HydrophobicContact CG-CB 4.22Å; M813-P839 HydrophobicContact CG-CG 4.41Å; I814-P839 PolarHBondContact N-O 3.1Å
840	L	98.9	Very high	97	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118.6	177.7	172.8	66.4	0	0	0	109.8	I762 V763 C764 I814 A816 L827 Q831 V842	I762-L840 PolarHBondContact O-N 3.38Å; V763-L840 CarbonylContact C-O 3.51Å; V763-L840 WeakPolarHBondContact CA-O 3.36Å; V763-L840 HydrophobicContact CG1-CB 4.44Å; V763-L840 HydrophobicContact CG1-CD2 3.94Å; V763-L840 HydrophobicContact CG1-CG 4.27Å; V763-L840 HydrophobicContact CG2-CB 4.22Å; V763-L840 HydrophobicContact CG2-CD2 4.15Å; C764-L840 PolarHBondContact N-O 2.75Å; I814-L840 HydrophobicContact CB-CD1 3.75Å; I814-L840 HydrophobicContact CG2-CD1 3.5Å; I814-L840 CarbonylContact O-C 3.54Å; I814-L840 WeakPolarHBondContact O-CA 3.5Å; A816-L840 HydrophobicContact CB-CD1 4.49Å; L827-L840 HydrophobicContact CD1-CD1 3.88Å; L827-L840 HydrophobicContact CD1-CD2 4.02Å; L827-L840 HydrophobicContact CD2-CD1 4.12Å; L827-L840 HydrophobicContact CD2-CD2 3.97Å; L827-L840 HydrophobicContact CG-CD1 4.2Å; L827-L840 HydrophobicContact CG-CD2 3.64Å; Q831-L840 HydrophobicContact CG-CB 4.17Å; Q831-L840 HydrophobicContact CG-CD2 3.54Å; Q831-L840 HydrophobicContact CG-CG 4.45Å; L840-V842 HydrophobicContact CD1-CG2 4.06Å; L840-V842 HydrophobicContact CD2-CG2 3.74Å; L840-V842 HydrophobicContact CG-CG2 3.57Å
841	I	98.9	Very high	96.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116	174.7	-47.9	-56.3	0	0	0	108.3	F745 I749 C764 L766 F785 M813 I814 V815 A816 M843	F745-I841 HydrophobicContact CD1-CD1 4.37Å; F745-I841 HydrophobicContact CE1-CD1 3.91Å; I749-I841 HydrophobicContact CG2-CD1 4.49Å; C764-I841 HydrophobicContact CB-CD1 3.83Å; L766-I841 HydrophobicContact CD1-CG2 3.64Å; L766-I841 HydrophobicContact CG-CG2 4.48Å; F785-I841 HydrophobicContact CB-CG2 4.3Å; F785-I841 HydrophobicContact CD1-CD1 4.4Å; F785-I841 HydrophobicContact CD1-CG1 4.14Å; F785-I841 HydrophobicContact CD1-CG2 4.02Å; F785-I841 HydrophobicContact CD2-CG2 3.97Å; F785-I841 HydrophobicContact CE1-CG2 4.34Å; F785-I841 HydrophobicContact CE2-CG2 4.27Å; F785-I841 HydrophobicContact CG-CG2 3.82Å; F785-I841 HydrophobicContact CZ-CG2 4.45Å; M813-I841 HydrophobicContact SD-CG1 4.38Å; I814-I841 PolarHBondContact O-N 3.23Å; V815-I841 WeakPolarHBondContact CA-O 3.4Å; V815-I841 HydrophobicContact CG2-CB 4.29Å; A816-I841 PolarHBondContact N-O 3.01Å; I841-M843 HydrophobicContact CG2-CE 3.88Å
842	V	98.9	Very high	96.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.9	-177.2	-166.7	0	0	0	0	110.1	V763 C764 L765 L766 A816 F824 L827 L840 T844	V763-V842 HydrophobicContact CG1-CG2 4.21Å; C764-V842 PolarHBondContact O-N 3.49Å; L765-V842 HydrophobicContact CD2-CB 4.01Å; L765-V842 HydrophobicContact CD2-CG2 4.09Å; L766-V842 PolarHBondContact N-O 3.15Å; A816-V842 WeakPolarHBondContact O-CA 3.3Å; F824-V842 HydrophobicContact CD2-CG1 4.29Å; F824-V842 HydrophobicContact CE2-CG1 4.13Å; L827-V842 HydrophobicContact CD2-CG1 4.37Å; L827-V842 HydrophobicContact CD2-CG2 4Å; L840-V842 HydrophobicContact CD1-CG2 4.06Å; L840-V842 HydrophobicContact CD2-CG2 3.74Å; L840-V842 HydrophobicContact CG-CG2 3.57Å; V842-T844 HydrophobicContact CB-CG2 4.12Å; V842-T844 HydrophobicContact CG1-CG2 3.88Å; V842-T844 PolarHBondContact O-N 2.69Å; V842-T844 VanDerWaalsContact O-N 3.09Å
843	M	98.8	Very high	96.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	96.8	165.1	-56.4	-57.3	144.7	0	0	107.6	L766 H768 A780 L782 F785 A816 N817 I841	L766-M843 HydrophobicContact CB-SD 4.49Å; L766-M843 HydrophobicContact CD1-CE 4.2Å; L766-M843 WeakPolarHBondContact O-CA 3.34Å; H768-M843 HydrophobicContact CB-CB 3.91Å; H768-M843 HydrophobicContact CB-CG 4.49Å; H768-M843 HydrophobicContact CB-SD 4.13Å; A780-M843 HydrophobicContact CB-CE 4.23Å; A780-M843 HydrophobicContact CB-SD 3.45Å; A780-M843 WeakPolarHBondContact CB-SD 3.5Å; L782-M843 HydrophobicContact CB-CE 3.85Å; L782-M843 HydrophobicContact CB-CG 4.37Å; L782-M843 HydrophobicContact CB-SD 4.02Å; L782-M843 HydrophobicContact CD1-CE 3.64Å; L782-M843 HydrophobicContact CD1-CG 4.02Å; L782-M843 HydrophobicContact CD1-SD 4.38Å; L782-M843 HydrophobicContact CD2-CG 4.43Å; L782-M843 HydrophobicContact CG-CE 4.34Å; L782-M843 HydrophobicContact CG-CG 4.5Å; F785-M843 HydrophobicContact CD2-CE 3.84Å; F785-M843 HydrophobicContact CE2-CE 4.35Å; A816-M843 PolarHBondContact O-N 3.36Å; N817-M843 HydrophobicContact CB-CB 3.85Å; N817-M843 HydrophobicContact CB-CG 4.18Å; I841-M843 HydrophobicContact CG2-CE 3.88Å
844	T	98.6	Very high	96.8	Very high	7 Å²	7	25 Å²	25	4%	0.043	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	154	-176.9	53	0	0	0	0	111.3	L765 L766 P767 H768 F824 V842	L765-T844 HydrophobicContact CB-CG2 3.75Å; L765-T844 HydrophobicContact CD2-CG2 3.72Å; L765-T844 HydrophobicContact CG-CG2 4.18Å; L766-T844 PolarHBondContact N-OG1 2.76Å; L766-T844 PolarHBondContact O-N 3.28Å; L766-T844 PolarHBondContact O-OG1 2.9Å; P767-T844 CarbonylContact C-O 3.42Å; P767-T844 VanDerWaalsContact CA-O 3.3Å; P767-T844 WeakPolarHBondContact CA-O 3.33Å; P767-T844 WeakPolarHBondContact CA-OG1 3.19Å; P767-T844 WeakPolarHBondContact CD-OG1 3.43Å; P767-T844 VanDerWaalsContact N-OG1 3.11Å; H768-T844 PolarHBondContact N-O 3.31Å; F824-T844 HydrophobicContact CE2-CG2 4.42Å; V842-T844 HydrophobicContact CB-CG2 4.12Å; V842-T844 HydrophobicContact CG1-CG2 3.88Å; V842-T844 PolarHBondContact O-N 2.69Å; V842-T844 VanDerWaalsContact O-N 3.09Å
845	P	97.9	Very high	96.9	Very high	12 Å²	12	30.2 Å²	30.2	8%	0.078	15%	0.147	C	C	.	.			trans	-81.9	162.5	-173.5	31.3	-36.6	0	0	0	113.8	W640 L848 L849	W640-P845 HydrophobicContact CD2-CG 3.48Å; W640-P845 VanDerWaalsContact CD2-CG 3.48Å; W640-P845 VanDerWaalsContact CE2-CD 3.43Å; W640-P845 VanDerWaalsContact CE2-CG 3.43Å; W640-P845 HydrophobicContact CE3-CG 3.71Å; W640-P845 HydrophobicContact CG-CG 4.05Å; W640-P845 HydrophobicContact CH2-CG 3.85Å; W640-P845 HydrophobicContact CZ2-CG 3.65Å; W640-P845 HydrophobicContact CZ3-CG 3.88Å; P845-L848 HydrophobicContact CB-CB 3.57Å; P845-L848 HydrophobicContact CB-CD1 4.21Å; P845-L848 HydrophobicContact CB-CG 4.07Å; P845-L848 HydrophobicContact CG-CB 4.29Å; P845-L849 HydrophobicContact CG-CD2 3.91Å; P845-L849 HydrophobicContact CG-CG 4.22Å
846	K	98	Very high	97.1	Very high	7 Å²	7	29.6 Å²	29.6	3%	0.03	14%	0.143	C	C	.	.	S	Bend	trans	-113.5	-71.1	167.9	-59.2	178.8	-71.1	-156.6	0	110.5	F670 F734 P767 G769 H777 L848 L849	F670-K846 HydrophobicContact CE1-CB 4.19Å; F670-K846 HydrophobicContact CE1-CD 4.19Å; F670-K846 HydrophobicContact CE1-CG 3.93Å; F670-K846 HydrophobicContact CE2-CG 4.06Å; F670-K846 HydrophobicContact CZ-CB 4.22Å; F670-K846 HydrophobicContact CZ-CD 3.92Å; F670-K846 HydrophobicContact CZ-CG 3.54Å; F734-K846 HydrophobicContact CD1-CD 3.92Å; F734-K846 HydrophobicContact CE1-CD 3.74Å; P767-K846 HydrophobicContact CB-CD 4.33Å; P767-K846 HydrophobicContact CB-CG 4Å; G769-K846 VanDerWaalsContact O-CE 3.28Å; G769-K846 WeakPolarHBondContact O-CE 3.29Å; G769-K846 PolarHBondContact O-NZ 2.98Å; H777-K846 PolarHBondContact O-NZ 2.56Å; K846-L848 PolarHBondContact O-N 2.77Å; K846-L849 WeakPolarHBondContact O-CB 3.22Å; K846-L849 WeakPolarHBondContact O-CD1 3.26Å; K846-L849 WeakPolarHBondContact O-CG 3.33Å; K846-L849 PolarHBondContact O-N 3.42Å
847	S	96.4	Very high	97.3	Very high	51 Å²	51	32 Å²	32	36%	0.357	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-65.8	-35.3	176	53.8	0	0	0	0	114	E771 L849 R850 H851	E771-S847 WeakPolarHBondContact OE1-CB 3.39Å; E771-S847 PolarHBondContact OE1-N 3.14Å; E771-S847 PolarHBondContact OE1-OG 2.86Å; S847-L849 PolarHBondContact O-N 3.33Å; S847-L849 VanDerWaalsContact O-N 3.11Å; S847-R850 PolarHBondContact O-N 2.82Å; S847-R850 VanDerWaalsContact O-N 3.1Å; S847-H851 PolarHBondContact O-N 3.41Å
848	L	97	Very high	97.3	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-64.4	-18.2	-179.1	-53.8	-177.4	0	0	0	113.5	P845 K846 R850 H851 A854 K893 Y896	P845-L848 HydrophobicContact CB-CB 3.57Å; P845-L848 HydrophobicContact CB-CD1 4.21Å; P845-L848 HydrophobicContact CB-CG 4.07Å; P845-L848 HydrophobicContact CG-CB 4.29Å; K846-L848 PolarHBondContact O-N 2.77Å; L848-R850 PolarHBondContact O-N 3.13Å; L848-H851 HydrophobicContact CD2-CB 4.02Å; L848-H851 PolarHBondContact O-N 3.49Å; L848-A854 HydrophobicContact CB-CB 3.99Å; L848-A854 HydrophobicContact CD2-CB 4.29Å; L848-K893 HydrophobicContact CD1-CB 3.82Å; L848-K893 HydrophobicContact CD2-CB 3.92Å; L848-K893 HydrophobicContact CG-CB 3.82Å; L848-Y896 HydrophobicContact CD1-CD2 4.21Å; L848-Y896 HydrophobicContact CD1-CE2 3.87Å; L848-Y896 HydrophobicContact CD2-CD2 3.43Å; L848-Y896 VanDerWaalsContact CD2-CD2 3.43Å; L848-Y896 HydrophobicContact CD2-CE2 3.69Å; L848-Y896 HydrophobicContact CD2-CG 4.25Å; L848-Y896 HydrophobicContact CG-CD2 4.47Å; L848-Y896 HydrophobicContact CG-CE2 4.41Å
849	L	97.6	Very high	97.3	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.042	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-54.7	-24.8	173.1	-64.3	173.9	0	0	0	112.7	W640 F670 H672 P845 K846 S847	W640-L849 HydrophobicContact CB-CD2 3.72Å; W640-L849 HydrophobicContact CG-CD2 3.74Å; F670-L849 HydrophobicContact CB-CD1 3.65Å; F670-L849 HydrophobicContact CD2-CD1 3.54Å; F670-L849 HydrophobicContact CG-CD1 3.77Å; H672-L849 HydrophobicContact CB-CB 4.46Å; H672-L849 HydrophobicContact CB-CD1 4.12Å; P845-L849 HydrophobicContact CG-CD2 3.91Å; P845-L849 HydrophobicContact CG-CG 4.22Å; K846-L849 WeakPolarHBondContact O-CB 3.22Å; K846-L849 WeakPolarHBondContact O-CD1 3.26Å; K846-L849 WeakPolarHBondContact O-CG 3.33Å; K846-L849 PolarHBondContact O-N 3.42Å; S847-L849 PolarHBondContact O-N 3.33Å; S847-L849 VanDerWaalsContact O-N 3.11Å
850	R	95	Very high	97.3	Very high	156 Å²	156	36.9 Å²	36.9	59%	0.589	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-128	5.4	-179.2	-61.2	-178.6	177	94.5	1.4	113.6	F670 S671 S847 L848	F670-R850 PolarHBondContact O-NH1 3.36Å; F670-R850 PolarHBondContact O-NH2 3.01Å; S671-R850 PolarHBondContact O-NH2 3.17Å; S671-R850 VanDerWaalsContact O-NH2 3.13Å; S847-R850 PolarHBondContact O-N 2.82Å; S847-R850 VanDerWaalsContact O-N 3.1Å; L848-R850 PolarHBondContact O-N 3.13Å
851	H	95.5	Very high	97.3	Very high	58 Å²	58	36.9 Å²	36.9	27%	0.269	19%	0.19	S	C	.	.			trans	-70.3	129.2	-175.6	-170.6	-84	0	0	0	110.2	S847 L848 E853 A854 Y896	S847-H851 PolarHBondContact O-N 3.41Å; L848-H851 HydrophobicContact CD2-CB 4.02Å; L848-H851 PolarHBondContact O-N 3.49Å; H851-E853 VanDerWaalsContact C-N 3.29Å; H851-E853 IonicContact CE1-OE2 3.86Å; H851-E853 PolarHBondContact ND1-N 3.18Å; H851-E853 PolarHBondContact O-N 2.84Å; H851-A854 HydrophobicContact CB-CB 3.79Å; H851-A854 PolarHBondContact O-N 3.22Å; H851-Y896 AromaticContact CE1-CD1 3.8Å; H851-Y896 AromaticContact ND1-CD1 3.86Å
852	P	94.3	Very high	97.2	Very high	96 Å²	96	38.8 Å²	38.8	62%	0.623	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-35.4	-173.2	-26.6	34.8	0	0	0	114.5	R855	P852-R855 WeakPolarHBondContact O-CD 3.32Å
853	E	94.9	Very high	96.8	Very high	87 Å²	87	43.5 Å²	43.5	41%	0.407	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-9.6	176.4	-64.5	-174.5	81.3	0	0	113.6	H851 R855 Y896 K899	H851-E853 VanDerWaalsContact C-N 3.29Å; H851-E853 IonicContact CE1-OE2 3.86Å; H851-E853 PolarHBondContact ND1-N 3.18Å; H851-E853 PolarHBondContact O-N 2.84Å; E853-R855 PolarHBondContact O-N 3.36Å; E853-Y896 HydrophobicContact CB-CD1 3.88Å; E853-Y896 HydrophobicContact CB-CE1 3.74Å; E853-Y896 WeakPolarHBondContact O-CE1 3.26Å; E853-K899 IonicContact OE1-NZ 3.08Å; E853-K899 PolarHBondContact OE1-NZ 3.48Å
854	A	96.7	Very high	96.6	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.008	26%	0.259	C	S	.	.	S	Bend	trans	-86.5	56.2	175	0	0	0	0	0	110.5	P821 L848 H851 Y896	P821-A854 WeakPolarHBondContact CG-O 3.49Å; L848-A854 HydrophobicContact CB-CB 3.99Å; L848-A854 HydrophobicContact CD2-CB 4.29Å; H851-A854 HydrophobicContact CB-CB 3.79Å; H851-A854 PolarHBondContact O-N 3.22Å; A854-Y896 WeakPolarHBondContact CA-OH 3.16Å; A854-Y896 HydrophobicContact CB-CE1 4.39Å; A854-Y896 HydrophobicContact CB-CE2 4.21Å
855	R	97.3	Very high	96.5	Very high	116 Å²	116	51 Å²	51	44%	0.438	27%	0.266	S	S	.	.			trans	-126	154.3	177.7	-65.5	-177.2	-179.6	-164.7	-0.7	109.7	S638 P852 E853	S638-R855 CarbonylContact O-C 3.47Å; S638-R855 WeakPolarHBondContact O-CA 3.5Å; S638-R855 WeakPolarHBondContact O-CB 3.15Å; P852-R855 WeakPolarHBondContact O-CD 3.32Å; E853-R855 PolarHBondContact O-N 3.36Å
856	S	98.2	Very high	96.5	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.007	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.8	175.9	-68.3	0	0	0	0	111.3	T637 S638 P821 A822	T637-S856 CarbonylContact C-O 3.55Å; T637-S856 WeakPolarHBondContact CA-O 3.45Å; S638-S856 PolarHBondContact N-O 3.3Å; S638-S856 PolarHBondContact O-N 3.35Å; S638-S856 PolarHBondContact OG-O 3.06Å; P821-S856 WeakPolarHBondContact CD-OG 3.33Å; A822-S856 WeakPolarHBondContact CB-OG 3.48Å; A822-S856 PolarHBondContact N-OG 3.49Å; A822-S856 VanDerWaalsContact N-OG 3.1Å
857	P	97.7	Very high	96.5	Very high	54 Å²	54	53 Å²	53	35%	0.351	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	156.3	169.3	32.3	-35.9	0	0	0	110.7	R636 S859 D860 Y861	R636-P857 WeakPolarHBondContact O-CA 3.47Å; P857-S859 WeakPolarHBondContact CG-OG 3.3Å; P857-S859 PolarHBondContact O-N 3.19Å; P857-D860 WeakPolarHBondContact CD-OD2 3.17Å; P857-D860 HydrophobicContact CG-CB 4.4Å; P857-D860 WeakPolarHBondContact O-CB 3.49Å; P857-D860 PolarHBondContact O-N 2.89Å; P857-Y861 VanDerWaalsContact O-CD2 3.29Å; P857-Y861 WeakPolarHBondContact O-CD2 3.41Å; P857-Y861 WeakPolarHBondContact O-CE2 3.44Å
858	F	97.7	Very high	96.6	Very high	6 Å²	6	55.4 Å²	55.4	3%	0.026	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-60.3	-28.1	177.2	-83.3	25.4	0	0	0	113.2	E599 L602 L603 I633 R636 F646 D860 Y861 I862	E599-F858 HydrophobicContact CG-CD2 4.05Å; L602-F858 HydrophobicContact CB-CD2 4.18Å; L602-F858 HydrophobicContact CB-CE2 3.85Å; L602-F858 HydrophobicContact CB-CZ 4.29Å; L602-F858 HydrophobicContact CD1-CB 4.43Å; L602-F858 HydrophobicContact CD1-CD2 4.13Å; L602-F858 HydrophobicContact CD1-CG 4.22Å; L603-F858 HydrophobicContact CD2-CE2 3.85Å; L603-F858 HydrophobicContact CG-CE2 4.12Å; I633-F858 HydrophobicContact CD1-CE1 4.34Å; I633-F858 HydrophobicContact CD1-CZ 3.84Å; I633-F858 HydrophobicContact CG2-CZ 4.45Å; R636-F858 HydrophobicContact CB-CB 4.14Å; R636-F858 HydrophobicContact CB-CD1 4.26Å; R636-F858 HydrophobicContact CB-CD2 4.22Å; R636-F858 HydrophobicContact CB-CG 3.94Å; R636-F858 HydrophobicContact CG-CD2 4.22Å; R636-F858 HydrophobicContact CG-CG 4.44Å; R636-F858 WeakPolarHBondContact O-CD1 3.3Å; R636-F858 PolarHBondContact O-N 3.37Å; F646-F858 AromaticContact CE2-CE1 3.91Å; F646-F858 HydrophobicContact CE2-CE1 3.91Å; F646-F858 HydrophobicContact CE2-CZ 4.32Å; F646-F858 AromaticContact CZ-CE1 3.83Å; F646-F858 HydrophobicContact CZ-CE1 3.83Å; F646-F858 AromaticContact CZ-CZ 3.85Å; F646-F858 HydrophobicContact CZ-CZ 3.85Å; F858-D860 PolarHBondContact O-N 2.86Å; F858-D860 VanDerWaalsContact O-N 3.09Å; F858-Y861 PolarHBondContact O-N 2.86Å; F858-I862 WeakPolarHBondContact O-CG2 3.23Å
859	S	97.3	Very high	96.6	Very high	72 Å²	72	55.8 Å²	55.8	50%	0.503	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-56.8	-25	175.3	56.3	0	0	0	0	113.3	P857 Y861 T865	P857-S859 WeakPolarHBondContact CG-OG 3.3Å; P857-S859 PolarHBondContact O-N 3.19Å; S859-Y861 VanDerWaalsContact C-N 3.27Å; S859-Y861 PolarHBondContact O-N 3.37Å; S859-T865 WeakPolarHBondContact O-CG2 3.44Å
860	D	97.7	Very high	96.6	Very high	37 Å²	37	56 Å²	56	20%	0.198	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-81.8	-0.9	178.7	-74.6	-11.5	0	0	0	113.4	A822 H826 P857 F858 R868	A822-D860 HydrophobicContact CB-CB 3.58Å; H826-D860 PolarHBondContact NE2-O 2.66Å; P857-D860 WeakPolarHBondContact CD-OD2 3.17Å; P857-D860 HydrophobicContact CG-CB 4.4Å; P857-D860 WeakPolarHBondContact O-CB 3.49Å; P857-D860 PolarHBondContact O-N 2.89Å; F858-D860 PolarHBondContact O-N 2.86Å; F858-D860 VanDerWaalsContact O-N 3.09Å; D860-R868 IonicContact OD1-NH2 3.56Å; D860-R868 PolarHBondContact OD1-NH2 2.74Å; D860-R868 IonicContact OD2-NH2 2.76Å; D860-R868 PolarHBondContact OD2-NH2 3.17Å
861	Y	98.4	Very high	96.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-11.3	-177.3	-66.5	-93.2	0	0	0	113.8	G596 V597 L602 S638 F646 P821 A822 F825 P857 F858 S859 T865	G596-Y861 CarbonylContact C-O 3.58Å; G596-Y861 WeakPolarHBondContact CA-O 3.22Å; V597-Y861 PolarHBondContact N-O 3.41Å; L602-Y861 HydrophobicContact CD1-CG 4.23Å; S638-Y861 VanDerWaalsContact OG-CE2 3.27Å; S638-Y861 WeakPolarHBondContact OG-CE2 3.4Å; S638-Y861 PolarHBondContact OG-OH 2.74Å; F646-Y861 HydrophobicContact CD2-CD1 4.12Å; F646-Y861 AromaticContact CD2-CE1 3.87Å; F646-Y861 HydrophobicContact CD2-CE1 3.87Å; P821-Y861 VanDerWaalsContact C-OH 3.31Å; P821-Y861 VanDerWaalsContact CB-OH 3.3Å; P821-Y861 WeakPolarHBondContact CB-OH 3Å; A822-Y861 VanDerWaalsContact CA-CZ 3.48Å; A822-Y861 WeakPolarHBondContact CA-OH 3.18Å; A822-Y861 HydrophobicContact CB-CD1 4.37Å; A822-Y861 HydrophobicContact CB-CD2 4.23Å; A822-Y861 HydrophobicContact CB-CE1 3.94Å; A822-Y861 HydrophobicContact CB-CE2 3.8Å; A822-Y861 HydrophobicContact CB-CG 4.49Å; A822-Y861 PolarHBondContact N-OH 2.98Å; A822-Y861 VanDerWaalsContact N-OH 3.13Å; F825-Y861 HydrophobicContact CB-CD1 3.93Å; F825-Y861 HydrophobicContact CB-CE1 3.57Å; F825-Y861 AromaticContact CD1-CD1 3.53Å; F825-Y861 HydrophobicContact CD1-CD1 3.53Å; F825-Y861 HydrophobicContact CD1-CE1 4.11Å; F825-Y861 AromaticContact CD2-CD1 3.82Å; F825-Y861 HydrophobicContact CD2-CD1 3.82Å; F825-Y861 HydrophobicContact CD2-CE1 4.06Å; F825-Y861 AromaticContact CE1-CD1 3.92Å; F825-Y861 HydrophobicContact CE1-CD1 3.92Å; F825-Y861 HydrophobicContact CE2-CD1 4.19Å; F825-Y861 AromaticContact CG-CD1 3.5Å; F825-Y861 HydrophobicContact CG-CD1 3.5Å; F825-Y861 VanDerWaalsContact CG-CD1 3.5Å; F825-Y861 AromaticContact CG-CE1 3.68Å; F825-Y861 HydrophobicContact CG-CE1 3.68Å; F825-Y861 HydrophobicContact CZ-CD1 4.24Å; P857-Y861 VanDerWaalsContact O-CD2 3.29Å; P857-Y861 WeakPolarHBondContact O-CD2 3.41Å; P857-Y861 WeakPolarHBondContact O-CE2 3.44Å; F858-Y861 PolarHBondContact O-N 2.86Å; S859-Y861 VanDerWaalsContact C-N 3.27Å; S859-Y861 PolarHBondContact O-N 3.37Å; Y861-T865 PolarHBondContact O-OG1 3.11Å
862	I	97.1	Very high	96.9	Very high	41 Å²	41	48.4 Å²	48.4	21%	0.21	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-96.7	146.1	-163.6	57.8	174.8	0	0	0	113	V597 E599 L602 F858 D864 T865	V597-I862 CarbonylContact O-C 3.54Å; V597-I862 WeakPolarHBondContact O-CA 3.07Å; E599-I862 HydrophobicContact CB-CG2 4.11Å; L602-I862 HydrophobicContact CD1-CG2 3.77Å; F858-I862 WeakPolarHBondContact O-CG2 3.23Å; I862-D864 PolarHBondContact O-N 2.74Å; I862-D864 VanDerWaalsContact O-N 3.1Å; I862-T865 PolarHBondContact N-OG1 3.25Å; I862-T865 VanDerWaalsContact N-OG1 3.17Å; I862-T865 WeakPolarHBondContact O-CB 3.38Å; I862-T865 WeakPolarHBondContact O-CG2 3.1Å; I862-T865 PolarHBondContact O-N 3.41Å; I862-T865 PolarHBondContact O-OG1 2.98Å
863	N	91.7	Very high	96.9	Very high	99 Å²	99	44.3 Å²	44.3	53%	0.529	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	-110.1	167.1	-52.3	-36.8	0	0	0	113.9	G596 V597 T865	G596-N863 VanDerWaalsContact CA-O 3.29Å; G596-N863 WeakPolarHBondContact CA-O 3.47Å; V597-N863 PolarHBondContact O-N 3.16Å; N863-T865 PolarHBondContact O-N 2.97Å
864	D	93.2	Very high	96.7	Very high	133 Å²	133	46.1 Å²	46.1	71%	0.711	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	7.9	-171.5	-60.9	-50.2	0	0	0	114.9	N594 I862	N594-D864 WeakPolarHBondContact ND2-CA 3.33Å; N594-D864 PolarHBondContact ND2-OD1 3.33Å; I862-D864 PolarHBondContact O-N 2.74Å; I862-D864 VanDerWaalsContact O-N 3.1Å
865	T	97.5	Very high	96.5	Very high	30 Å²	30	46.9 Å²	46.9	18%	0.184	25%	0.253	C	S	.	.			trans	-68.2	149.9	172.2	53.2	0	0	0	0	112.6	S595 G596 H826 S859 Y861 I862 N863	S595-T865 PolarHBondContact N-O 2.91Å; G596-T865 WeakPolarHBondContact CA-OG1 3.49Å; G596-T865 PolarHBondContact N-O 2.88Å; H826-T865 PolarHBondContact CE1-OG1 2.8Å; H826-T865 WeakPolarHBondContact NE2-CB 3.32Å; H826-T865 PolarHBondContact NE2-OG1 3.11Å; S859-T865 WeakPolarHBondContact O-CG2 3.44Å; Y861-T865 PolarHBondContact O-OG1 3.11Å; I862-T865 PolarHBondContact N-OG1 3.25Å; I862-T865 VanDerWaalsContact N-OG1 3.17Å; I862-T865 WeakPolarHBondContact O-CB 3.38Å; I862-T865 WeakPolarHBondContact O-CG2 3.1Å; I862-T865 PolarHBondContact O-N 3.41Å; I862-T865 PolarHBondContact O-OG1 2.98Å; N863-T865 PolarHBondContact O-N 2.97Å
866	S	97.3	Very high	96.2	Very high	52 Å²	52	43.8 Å²	43.8	36%	0.364	25%	0.248	S	C	.	.			trans	-151.5	173	-178.2	66.3	0	0	0	0	111.3	H826 R868	H826-S866 PolarHBondContact CD2-O 3.35Å; S866-R868 PolarHBondContact O-N 2.99Å
867	Y	97.8	Very high	96	Very high	10 Å²	10	43.7 Å²	43.7	4%	0.039	25%	0.248	C	C	.	.			trans	-65.1	126.1	179.5	178.9	-103.7	0	0	0	111	N823 H826 L827 R830 R869 E917 Q918	N823-Y867 HydrophobicContact CB-CE2 4.45Å; N823-Y867 VanDerWaalsContact CG-CE2 3.47Å; N823-Y867 VanDerWaalsContact ND2-CE2 3.27Å; N823-Y867 WeakPolarHBondContact ND2-CE2 3.47Å; N823-Y867 VanDerWaalsContact O-CD2 3.3Å; N823-Y867 WeakPolarHBondContact O-CD2 3.46Å; N823-Y867 WeakPolarHBondContact OD1-CD2 3.36Å; H826-Y867 HydrophobicContact CB-CD2 4.39Å; L827-Y867 HydrophobicContact CB-CD2 3.65Å; L827-Y867 HydrophobicContact CB-CE2 3.67Å; L827-Y867 HydrophobicContact CD1-CD2 4.17Å; L827-Y867 HydrophobicContact CD1-CE1 4.33Å; L827-Y867 HydrophobicContact CD1-CE2 3.89Å; L827-Y867 HydrophobicContact CD2-CE2 4.2Å; L827-Y867 HydrophobicContact CG-CD2 4.43Å; L827-Y867 HydrophobicContact CG-CE2 4.12Å; R830-Y867 VanDerWaalsContact CZ-CD1 3.43Å; R830-Y867 VanDerWaalsContact NH1-CD1 3.3Å; Y867-R869 HydrophobicContact CD1-CG 4.03Å; Y867-R869 HydrophobicContact CE1-CG 3.99Å; Y867-E917 PolarHBondContact OH-O 2.92Å; Y867-Q918 HydrophobicContact CE1-CB 3.93Å; Y867-Q918 PolarHBondContact OH-N 2.8Å
868	R	97.8	Very high	95.8	Very high	101 Å²	101	43.3 Å²	43.3	38%	0.381	25%	0.246	S	C	.	.			trans	-91.6	107.2	177.2	-57.8	-175.2	-136.9	178.7	4.8	109	N823 D860 S866 V870 I871 E917	N823-R868 PolarHBondContact ND2-O 3.18Å; N823-R868 PolarHBondContact OD1-N 2.74Å; D860-R868 IonicContact OD1-NH2 3.56Å; D860-R868 PolarHBondContact OD1-NH2 2.74Å; D860-R868 IonicContact OD2-NH2 2.76Å; D860-R868 PolarHBondContact OD2-NH2 3.17Å; S866-R868 PolarHBondContact O-N 2.99Å; R868-V870 VanDerWaalsContact C-N 3.31Å; R868-V870 PolarHBondContact O-N 2.78Å; R868-I871 HydrophobicContact CB-CG1 4.01Å; R868-E917 WeakPolarHBondContact O-CB 3.49Å
869	R	97.9	Very high	95.6	Very high	13 Å²	13	50.8 Å²	50.8	5%	0.049	28%	0.281	C	S	.	.	S	Bend	trans	-64.4	-36	177	-65.8	-176.4	-74.6	119.7	1.9	112.5	E804 Y867 E917 Q918 P923 D925 L926	E804-R869 IonicContact OE1-NE 2.73Å; E804-R869 IonicContact OE2-CZ 2.74Å; E804-R869 IonicContact OE2-NE 3.96Å; E804-R869 PolarHBondContact OE2-NE 3.29Å; E804-R869 IonicContact OE2-NH2 2.73Å; Y867-R869 HydrophobicContact CD1-CG 4.03Å; Y867-R869 HydrophobicContact CE1-CG 3.99Å; R869-E917 PolarHBondContact O-N 3.06Å; R869-Q918 HydrophobicContact CB-CB 4.18Å; R869-Q918 HydrophobicContact CG-CB 4.25Å; R869-Q918 PolarHBondContact O-N 3.34Å; R869-Q918 VanDerWaalsContact O-N 3.1Å; R869-P923 HydrophobicContact CB-CB 4.12Å; R869-P923 VanDerWaalsContact NH1-CB 3.33Å; R869-D925 IonicContact CZ-OD1 2.82Å; R869-D925 IonicContact CZ-OD2 2.76Å; R869-D925 IonicContact NH1-OD1 3.42Å; R869-D925 PolarHBondContact NH1-OD1 2.94Å; R869-D925 IonicContact NH1-OD2 3.66Å; R869-D925 IonicContact NH2-OD1 3.82Å; R869-D925 PolarHBondContact NH2-OD1 3.38Å; R869-D925 IonicContact NH2-OD2 2.79Å; R869-D925 PolarHBondContact NH2-OD2 3.28Å; R869-L926 HydrophobicContact CB-CD1 3.92Å
870	V	98.4	Very high	95.4	Very high	13 Å²	13	50.5 Å²	50.5	8%	0.079	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.9	171.7	176.2	0	0	0	0	107.9	R868 R915 P923 L926 V927	R868-V870 VanDerWaalsContact C-N 3.31Å; R868-V870 PolarHBondContact O-N 2.78Å; V870-R915 CarbonylContact C-O 3.49Å; V870-R915 VanDerWaalsContact CA-O 3.26Å; V870-R915 WeakPolarHBondContact CA-O 3.45Å; V870-R915 WeakPolarHBondContact CG1-O 3.27Å; V870-P923 HydrophobicContact CG2-CB 3.94Å; V870-P923 HydrophobicContact CG2-CG 3.55Å; V870-L926 HydrophobicContact CB-CB 3.91Å; V870-L926 HydrophobicContact CB-CD1 4.07Å; V870-L926 HydrophobicContact CG2-CB 3.72Å; V870-L926 HydrophobicContact CG2-CD1 4.19Å; V870-V927 HydrophobicContact CG2-CG2 4.15Å
871	I	98.1	Very high	95.1	Very high	11 Å²	11	50.5 Å²	50.5	6%	0.056	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110.3	170	-51	171.2	0	0	0	108.1	T820 R868 R915 E917	T820-I871 HydrophobicContact CG2-CD1 4.39Å; R868-I871 HydrophobicContact CB-CG1 4.01Å; I871-R915 HydrophobicContact CB-CB 4.25Å; I871-R915 PolarHBondContact N-O 3.1Å; I871-R915 PolarHBondContact O-N 2.86Å; I871-E917 HydrophobicContact CD1-CG 3.78Å; I871-E917 HydrophobicContact CG1-CG 3.86Å
872	S	97.1	Very high	94.9	Very high	44 Å²	44	55.8 Å²	55.8	31%	0.308	30%	0.304	S	S	.	.			trans	-64.5	161.7	178.8	-65.2	0	0	0	0	113	E930 K933	S872-E930 WeakPolarHBondContact CA-OE1 3.48Å; S872-E930 WeakPolarHBondContact CB-OE1 3.38Å; S872-E930 WeakPolarHBondContact CB-OE2 3.43Å; S872-E930 PolarHBondContact OG-OE2 2.83Å; S872-K933 PolarHBondContact OG-NZ 2.61Å
873	E	95.1	Very high	94.7	Very high	9 Å²	9	60.5 Å²	60.5	4%	0.042	32%	0.323	C	S	.	.			trans	-68.8	131.2	165.8	175.2	69.2	-137.5	0	0	110	G875 A877 S878 R902 A912 I913 E930	E873-G875 VanDerWaalsContact OE1-CA 3.28Å; E873-G875 WeakPolarHBondContact OE1-CA 3.49Å; E873-G875 PolarHBondContact OE1-N 3.19Å; E873-A877 HydrophobicContact CG-CB 4.05Å; E873-S878 WeakPolarHBondContact O-CB 3.4Å; E873-R902 IonicContact OE1-CZ 2.74Å; E873-R902 IonicContact OE1-NH1 3.93Å; E873-R902 PolarHBondContact OE1-NH1 3.45Å; E873-R902 IonicContact OE1-NH2 2.71Å; E873-R902 PolarHBondContact OE1-NH2 3.05Å; E873-R902 VanDerWaalsContact OE1-NH2 3.08Å; E873-R902 IonicContact OE2-CZ 3.89Å; E873-R902 IonicContact OE2-NH1 3.21Å; E873-R902 PolarHBondContact OE2-NH1 2.8Å; E873-R902 IonicContact OE2-NH2 2.73Å; E873-A912 HydrophobicContact CB-CB 4.09Å; E873-A912 HydrophobicContact CG-CB 4.02Å; E873-I913 PolarHBondContact OE2-N 3.3Å; E873-E930 PolarHBondContact N-OE1 2.98Å; E873-E930 VanDerWaalsContact N-OE1 3.12Å
874	D	91.4	Very high	94.9	Very high	126 Å²	126	55.9 Å²	55.9	67%	0.674	30%	0.299	S	S	*	.			trans	-125	6.4	179.3	61.1	-7.6	0	0	0	113.3
875	G	91.4	Very high	95	Very high	16 Å²	16	53.1 Å²	53.1	17%	0.165	28%	0.281	C	S	.	.	S	Bend	trans	-91.2	-164.1	176.6	0	0	0	0	0	114.3	E873 A877 S878	E873-G875 VanDerWaalsContact OE1-CA 3.28Å; E873-G875 WeakPolarHBondContact OE1-CA 3.49Å; E873-G875 PolarHBondContact OE1-N 3.19Å; G875-A877 PolarHBondContact O-N 3.48Å; G875-S878 WeakPolarHBondContact O-CB 3.29Å; G875-S878 PolarHBondContact O-N 2.97Å; G875-S878 PolarHBondContact O-OG 3.35Å
876	P	92.3	Very high	94.9	Very high	51 Å²	51	51.8 Å²	51.8	33%	0.331	27%	0.273	S	S	.	.	H	α-helix	trans	-54.8	-30.1	-173.9	-28.7	35.7	0	0	0	115.5	S878 E879 E908	P876-S878 VanDerWaalsContact C-N 3.25Å; P876-S878 PolarHBondContact O-N 3.02Å; P876-E879 WeakPolarHBondContact O-CB 3.39Å; P876-E879 PolarHBondContact O-N 3.34Å; P876-E908 HydrophobicContact CB-CB 4.35Å; P876-E908 HydrophobicContact CG-CB 4.1Å
877	A	92.9	Very high	94.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-32.6	175.1	0	0	0	0	0	112.8	E873 G875 E879 N880 V884 E908 A912	E873-A877 HydrophobicContact CG-CB 4.05Å; G875-A877 PolarHBondContact O-N 3.48Å; A877-E879 VanDerWaalsContact C-N 3.29Å; A877-E879 PolarHBondContact O-N 3.27Å; A877-N880 CarbonylContact O-C 3.46Å; A877-V884 HydrophobicContact CB-CG2 3.81Å; A877-V884 VanDerWaalsContact O-CG2 3.3Å; A877-V884 WeakPolarHBondContact O-CG2 3.4Å; A877-E908 VanDerWaalsContact CB-O 3.28Å; A877-E908 WeakPolarHBondContact CB-O 3.16Å; A877-E908 PolarHBondContact N-O 3Å; A877-A912 HydrophobicContact CB-CB 3.96Å
878	S	93.3	Very high	94.9	Very high	46 Å²	46	48.9 Å²	48.9	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-73.8	-19.9	179.7	72.6	0	0	0	0	113.4	E873 G875 P876 P881	E873-S878 WeakPolarHBondContact O-CB 3.4Å; G875-S878 WeakPolarHBondContact O-CB 3.29Å; G875-S878 PolarHBondContact O-N 2.97Å; G875-S878 PolarHBondContact O-OG 3.35Å; P876-S878 VanDerWaalsContact C-N 3.25Å; P876-S878 PolarHBondContact O-N 3.02Å; S878-P881 WeakPolarHBondContact O-CG 3.2Å
879	E	94.2	Very high	94.9	Very high	163 Å²	163	44 Å²	44	76%	0.762	24%	0.236	S	C	*	.	H	α-helix	trans	-75	-29.3	179.1	-59.4	179.4	178.8	0	0	112.6	P876 A877	P876-E879 WeakPolarHBondContact O-CB 3.39Å; P876-E879 PolarHBondContact O-N 3.34Å; A877-E879 VanDerWaalsContact C-N 3.29Å; A877-E879 PolarHBondContact O-N 3.27Å
880	N	92.2	Very high	94.9	Very high	65 Å²	65	43.4 Å²	43.4	35%	0.348	23%	0.233	S	C	.	.			trans	-136.6	72.8	177.3	-160.9	-29	0	0	0	111.8	A877 D882 K883	A877-N880 CarbonylContact O-C 3.46Å; N880-D882 PolarHBondContact O-N 3.42Å; N880-D882 VanDerWaalsContact O-N 3.13Å; N880-K883 WeakPolarHBondContact ND2-CD 3.43Å; N880-K883 WeakPolarHBondContact ND2-CE 3.24Å; N880-K883 PolarHBondContact O-N 3.04Å
881	P	93.2	Very high	94.9	Very high	37 Å²	37	43.4 Å²	43.4	24%	0.24	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-59.2	-28.6	-173	-24.8	34.9	0	0	0	114.3	S878 K883 V884 K933 Y934	S878-P881 WeakPolarHBondContact O-CG 3.2Å; P881-K883 VanDerWaalsContact C-N 3.26Å; P881-K883 PolarHBondContact O-N 2.69Å; P881-V884 WeakPolarHBondContact O-CB 3.15Å; P881-V884 PolarHBondContact O-N 2.71Å; P881-K933 WeakPolarHBondContact CB-O 3.36Å; P881-Y934 HydrophobicContact CB-CD1 3.7Å; P881-Y934 HydrophobicContact CB-CE1 3.87Å; P881-Y934 HydrophobicContact CG-CE1 4.34Å
882	D	93.2	Very high	94.9	Very high	112 Å²	112	42.9 Å²	42.9	60%	0.599	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-68.2	-23.8	179.8	-69.8	-33.1	0	0	0	113.5	N880 N936	N880-D882 PolarHBondContact O-N 3.42Å; N880-D882 VanDerWaalsContact O-N 3.13Å; D882-N936 PolarHBondContact O-ND2 3.44Å
883	K	92.6	Very high	94.9	Very high	140 Å²	140	41.6 Å²	41.6	61%	0.609	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-91.3	-5	177.7	-70.3	-172.4	-177.3	177.8	0	113.6	N880 P881 E885	N880-K883 WeakPolarHBondContact ND2-CD 3.43Å; N880-K883 WeakPolarHBondContact ND2-CE 3.24Å; N880-K883 PolarHBondContact O-N 3.04Å; P881-K883 VanDerWaalsContact C-N 3.26Å; P881-K883 PolarHBondContact O-N 2.69Å; K883-E885 PolarHBondContact O-N 3.04Å
884	V	95.6	Very high	95	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	22%	0.218	C	C	.	.			trans	-72.7	121.2	177.7	177.2	0	0	0	0	108.8	A877 P881 R886 K910 A912 Y934 A937	A877-V884 HydrophobicContact CB-CG2 3.81Å; A877-V884 VanDerWaalsContact O-CG2 3.3Å; A877-V884 WeakPolarHBondContact O-CG2 3.4Å; P881-V884 WeakPolarHBondContact O-CB 3.15Å; P881-V884 PolarHBondContact O-N 2.71Å; V884-R886 WeakPolarHBondContact CG1-O 3.38Å; V884-K910 CarbonylContact C-O 3.56Å; V884-A912 HydrophobicContact CG1-CB 3.94Å; V884-Y934 HydrophobicContact CB-CD1 3.65Å; V884-Y934 HydrophobicContact CB-CE1 4.29Å; V884-Y934 HydrophobicContact CB-CG 4.44Å; V884-Y934 HydrophobicContact CG1-CD1 3.85Å; V884-Y934 HydrophobicContact CG1-CE1 4.44Å; V884-Y934 HydrophobicContact CG1-CG 4.31Å; V884-Y934 HydrophobicContact CG2-CD1 3.57Å; V884-Y934 HydrophobicContact CG2-CE1 3.71Å; V884-A937 HydrophobicContact CG1-CB 4.06Å; V884-A937 WeakPolarHBondContact O-CB 3.49Å
885	E	95.3	Very high	95.3	Very high	74 Å²	74	35.9 Å²	35.9	35%	0.346	19%	0.189	S	C	.	.			trans	-87.7	-27.6	-178.9	-62.7	175.6	-146.9	0	0	110.9	K883 K910 A937 Q938 I1002	K883-E885 PolarHBondContact O-N 3.04Å; E885-K910 PolarHBondContact N-O 3.18Å; E885-K910 WeakPolarHBondContact OE1-CD 3.12Å; E885-K910 WeakPolarHBondContact OE1-CE 3.29Å; E885-K910 IonicContact OE1-NZ 2.95Å; E885-K910 PolarHBondContact OE1-NZ 3.43Å; E885-K910 IonicContact OE2-NZ 2.77Å; E885-A937 WeakPolarHBondContact O-CA 3.39Å; E885-Q938 PolarHBondContact O-N 3.18Å; E885-I1002 HydrophobicContact CB-CD1 4.03Å; E885-I1002 HydrophobicContact CB-CG2 4.17Å; E885-I1002 WeakPolarHBondContact OE2-CD1 3.44Å; E885-I1002 WeakPolarHBondContact OE2-CG2 3.29Å
886	R	95.7	Very high	95.6	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.011	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	138.8	177.3	-77.4	-173.7	174.3	165.6	13.1	113.7	V884 K910 V911 A912 Q938 V940 T999 E1001 I1002	V884-R886 WeakPolarHBondContact CG1-O 3.38Å; R886-K910 PolarHBondContact N-O 3.13Å; R886-V911 HydrophobicContact CB-CG1 4.35Å; R886-V911 HydrophobicContact CB-CG2 4.39Å; R886-V911 CarbonylContact O-C 3.58Å; R886-V911 WeakPolarHBondContact O-CA 3.39Å; R886-A912 PolarHBondContact O-N 2.89Å; R886-Q938 WeakPolarHBondContact CA-O 3.48Å; R886-Q938 HydrophobicContact CG-CB 4.21Å; R886-V940 HydrophobicContact CG-CG2 4.45Å; R886-T999 PolarHBondContact NH1-O 3.45Å; R886-E1001 PolarHBondContact NH1-O 3.15Å; R886-E1001 PolarHBondContact NH2-O 3.48Å; R886-I1002 HydrophobicContact CG-CG1 4.49Å
887	L	96.3	Very high	95.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.5	164.6	174.5	63.3	0	0	0	108.8	F889 A912 A914 E930 A931 Y934 A937 Q938 L939 V940	L887-F889 HydrophobicContact CD2-CE1 4.35Å; L887-F889 HydrophobicContact CD2-CE2 3.66Å; L887-F889 HydrophobicContact CD2-CZ 3.54Å; L887-F889 HydrophobicContact CG-CD2 4.5Å; L887-F889 HydrophobicContact CG-CE2 4.05Å; L887-F889 HydrophobicContact CG-CZ 4.16Å; L887-A912 HydrophobicContact CD1-CB 3.72Å; L887-A914 HydrophobicContact CD1-CB 4.22Å; L887-E930 HydrophobicContact CD1-CG 4.48Å; L887-E930 HydrophobicContact CD2-CG 4.45Å; L887-A931 HydrophobicContact CD2-CB 3.9Å; L887-Y934 HydrophobicContact CB-CD2 4.5Å; L887-Y934 HydrophobicContact CD1-CD2 3.9Å; L887-Y934 HydrophobicContact CD1-CE2 4.03Å; L887-Y934 HydrophobicContact CD2-CD2 3.96Å; L887-Y934 HydrophobicContact CG-CD2 4.35Å; L887-A937 HydrophobicContact CB-CB 4.26Å; L887-Q938 PolarHBondContact N-O 3.09Å; L887-L939 HydrophobicContact CB-CD2 4.02Å; L887-L939 HydrophobicContact CD2-CD2 3.91Å; L887-L939 HydrophobicContact CG-CD2 4.36Å; L887-V940 PolarHBondContact O-N 2.82Å
888	V	98.1	Very high	96	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	115.6	178.9	-177.4	0	0	0	0	109.2	L898 V911 A912 I913 A914 V940 T999	V888-L898 HydrophobicContact CG1-CD1 4.18Å; V888-V911 HydrophobicContact CG2-CG1 3.75Å; V888-A912 PolarHBondContact N-O 2.92Å; V888-I913 HydrophobicContact CB-CG1 4.38Å; V888-I913 CarbonylContact O-C 3.6Å; V888-I913 WeakPolarHBondContact O-CA 3.4Å; V888-A914 PolarHBondContact O-N 2.99Å; V888-V940 CarbonylContact C-O 3.49Å; V888-V940 WeakPolarHBondContact CA-O 3.24Å; V888-V940 HydrophobicContact CG2-CB 4.29Å; V888-T999 HydrophobicContact CB-CG2 4.37Å; V888-T999 HydrophobicContact CG1-CG2 3.64Å; V888-T999 HydrophobicContact CG2-CG2 3.77Å
889	F	98.4	Very high	96.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.7	163.4	-67.9	-72.9	0	0	0	109.4	L887 A914 I916 V927 E930 A931 L939 V940 W941 S942	L887-F889 HydrophobicContact CD2-CE1 4.35Å; L887-F889 HydrophobicContact CD2-CE2 3.66Å; L887-F889 HydrophobicContact CD2-CZ 3.54Å; L887-F889 HydrophobicContact CG-CD2 4.5Å; L887-F889 HydrophobicContact CG-CE2 4.05Å; L887-F889 HydrophobicContact CG-CZ 4.16Å; F889-A914 WeakPolarHBondContact CA-O 3.45Å; F889-A914 HydrophobicContact CD1-CB 3.88Å; F889-A914 HydrophobicContact CE1-CB 3.91Å; F889-I916 HydrophobicContact CB-CD1 4.44Å; F889-I916 HydrophobicContact CD1-CD1 4.17Å; F889-I916 HydrophobicContact CD1-CG1 4.11Å; F889-I916 HydrophobicContact CG-CD1 4.48Å; F889-V927 HydrophobicContact CE1-CG1 4.15Å; F889-V927 HydrophobicContact CE2-CG1 4.3Å; F889-V927 HydrophobicContact CZ-CG1 3.86Å; F889-E930 HydrophobicContact CE1-CB 4.39Å; F889-E930 HydrophobicContact CE1-CG 4.33Å; F889-A931 HydrophobicContact CZ-CB 4.31Å; F889-L939 HydrophobicContact CE2-CD2 4.36Å; F889-V940 PolarHBondContact N-O 3.17Å; F889-W941 HydrophobicContact CB-CE3 3.72Å; F889-W941 HydrophobicContact CB-CZ3 3.99Å; F889-W941 WeakPolarHBondContact O-CA 3.44Å; F889-S942 PolarHBondContact O-N 3.1Å
890	C	98.5	Very high	96.3	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	172	173.4	65.2	0	0	0	0	110.6	L898 A914 R915 I916 S942	C890-L898 HydrophobicContact CB-CD1 4.29Å; C890-A914 PolarHBondContact N-O 2.72Å; C890-R915 CarbonylContact O-C 3.6Å; C890-R915 WeakPolarHBondContact O-CA 3.48Å; C890-I916 PolarHBondContact O-N 2.97Å; C890-S942 WeakPolarHBondContact CA-O 3.35Å; C890-S942 WeakPolarHBondContact CB-O 3.5Å
891	S	98.6	Very high	96.5	Very high	12 Å²	12	35.5 Å²	35.5	8%	0.084	17%	0.168	C	C	.	.			trans	-140.3	142.8	176.1	-166.5	0	0	0	0	110	N817 I916	N817-S891 WeakPolarHBondContact CB-OG 3.42Å; S891-I916 WeakPolarHBondContact CB-O 3.49Å; S891-I916 PolarHBondContact OG-O 3.12Å
892	G	97.7	Very high	96.6	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	-156.3	179.1	0	0	0	0	0	115.4	N817 T819 L894 Y895	N817-G892 VanDerWaalsContact CG-CA 3.45Å; N817-G892 WeakPolarHBondContact ND2-CA 3.32Å; N817-G892 PolarHBondContact ND2-N 2.88Å; N817-G892 WeakPolarHBondContact OD1-CA 3.13Å; T819-G892 VanDerWaalsContact CG2-O 3.23Å; T819-G892 WeakPolarHBondContact CG2-O 3.43Å; G892-L894 PolarHBondContact O-N 2.91Å; G892-Y895 PolarHBondContact O-N 3.21Å
893	K	97.4	Very high	96.7	Very high	18 Å²	18	30.4 Å²	30.4	8%	0.078	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.3	-164.2	75.8	166.6	-175.4	68.6	0	115.8	Y770 E771 L848 Y895 Y896 E897 E944	Y770-K893 PolarHBondContact O-NZ 2.56Å; Y770-K893 VanDerWaalsContact O-NZ 3.11Å; E771-K893 HydrophobicContact CG-CD 4.42Å; L848-K893 HydrophobicContact CD1-CB 3.82Å; L848-K893 HydrophobicContact CD2-CB 3.92Å; L848-K893 HydrophobicContact CG-CB 3.82Å; K893-Y895 PolarHBondContact O-N 3.36Å; K893-Y895 VanDerWaalsContact O-N 3.08Å; K893-Y896 PolarHBondContact O-N 3.12Å; K893-Y896 VanDerWaalsContact O-N 3.07Å; K893-E897 IonicContact NZ-OE1 3.98Å; K893-E897 PolarHBondContact NZ-OE1 2.86Å; K893-E944 VanDerWaalsContact CE-OE1 3.3Å; K893-E944 WeakPolarHBondContact CE-OE1 3.28Å; K893-E944 WeakPolarHBondContact CE-OE2 3.41Å; K893-E944 IonicContact NZ-OE1 3.6Å; K893-E944 IonicContact NZ-OE2 2.85Å; K893-E944 PolarHBondContact NZ-OE2 2.88Å
894	L	97.4	Very high	96.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-55.7	-29.5	-178.3	-179.8	61.7	0	0	0	112.1	G892 Y896 E897 L898 S942 Q943 V995	G892-L894 PolarHBondContact O-N 2.91Å; L894-Y896 VanDerWaalsContact C-N 3.26Å; L894-Y896 PolarHBondContact O-N 3.32Å; L894-E897 PolarHBondContact O-N 2.89Å; L894-L898 HydrophobicContact CD1-CD2 4.48Å; L894-L898 HydrophobicContact CD1-CG 4.13Å; L894-L898 HydrophobicContact CD2-CD1 4.22Å; L894-L898 HydrophobicContact CG-CD1 3.85Å; L894-L898 HydrophobicContact CG-CG 3.94Å; L894-L898 WeakPolarHBondContact O-CG 3.4Å; L894-L898 PolarHBondContact O-N 3.19Å; L894-S942 WeakPolarHBondContact CD2-OG 3.44Å; L894-Q943 VanDerWaalsContact CD2-CA 3.48Å; L894-V995 HydrophobicContact CD2-CG1 4.37Å
895	Y	98	Very high	96.8	Very high	13 Å²	13	31.4 Å²	31.4	5%	0.051	15%	0.154	C	C	.	.	H	α-helix	trans	-47.9	-46.4	174.3	169.4	-103.9	0	0	0	113.1	G892 K893 E897 L898 K899 I913 R915	G892-Y895 PolarHBondContact O-N 3.21Å; K893-Y895 PolarHBondContact O-N 3.36Å; K893-Y895 VanDerWaalsContact O-N 3.08Å; Y895-E897 PolarHBondContact O-N 3.01Å; Y895-L898 PolarHBondContact O-N 3.07Å; Y895-K899 HydrophobicContact CE1-CD 4.17Å; Y895-K899 VanDerWaalsContact O-CB 3.3Å; Y895-K899 WeakPolarHBondContact O-CB 3.47Å; Y895-K899 PolarHBondContact O-N 3.09Å; Y895-I913 HydrophobicContact CD2-CG2 3.76Å; Y895-I913 HydrophobicContact CE2-CG2 4.12Å; Y895-R915 HydrophobicContact CD2-CG 3.59Å; Y895-R915 HydrophobicContact CE2-CG 4.22Å; Y895-R915 HydrophobicContact CG-CG 3.83Å
896	Y	97.5	Very high	96.8	Very high	11 Å²	11	34.2 Å²	34.2	4%	0.043	17%	0.172	C	C	.	.	H	α-helix	trans	-68.5	-37.4	-175.1	-69	-78.8	0	0	0	112.2	T819 L848 H851 E853 A854 K893 L894 K900	T819-Y896 PolarHBondContact O-OH 2.89Å; L848-Y896 HydrophobicContact CD1-CD2 4.21Å; L848-Y896 HydrophobicContact CD1-CE2 3.87Å; L848-Y896 HydrophobicContact CD2-CD2 3.43Å; L848-Y896 VanDerWaalsContact CD2-CD2 3.43Å; L848-Y896 HydrophobicContact CD2-CE2 3.69Å; L848-Y896 HydrophobicContact CD2-CG 4.25Å; L848-Y896 HydrophobicContact CG-CD2 4.47Å; L848-Y896 HydrophobicContact CG-CE2 4.41Å; H851-Y896 AromaticContact CE1-CD1 3.8Å; H851-Y896 AromaticContact ND1-CD1 3.86Å; E853-Y896 HydrophobicContact CB-CD1 3.88Å; E853-Y896 HydrophobicContact CB-CE1 3.74Å; E853-Y896 WeakPolarHBondContact O-CE1 3.26Å; A854-Y896 WeakPolarHBondContact CA-OH 3.16Å; A854-Y896 HydrophobicContact CB-CE1 4.39Å; A854-Y896 HydrophobicContact CB-CE2 4.21Å; K893-Y896 PolarHBondContact O-N 3.12Å; K893-Y896 VanDerWaalsContact O-N 3.07Å; L894-Y896 VanDerWaalsContact C-N 3.26Å; L894-Y896 PolarHBondContact O-N 3.32Å; Y896-K900 WeakPolarHBondContact O-CB 3.49Å; Y896-K900 PolarHBondContact O-N 3.17Å; Y896-K900 VanDerWaalsContact O-N 3.17Å
897	E	96.3	Very high	96.8	Very high	60 Å²	60	35.4 Å²	35.4	28%	0.28	18%	0.178	S	C	.	.	H	α-helix	trans	-68.1	-44.9	175.4	-64.1	179	-133.8	0	0	110.7	K893 L894 Y895 K899 K900 E901 Q992	K893-E897 IonicContact NZ-OE1 3.98Å; K893-E897 PolarHBondContact NZ-OE1 2.86Å; L894-E897 PolarHBondContact O-N 2.89Å; Y895-E897 PolarHBondContact O-N 3.01Å; E897-K899 PolarHBondContact O-N 2.97Å; E897-K900 PolarHBondContact O-N 3.44Å; E897-E901 WeakPolarHBondContact O-CB 3.37Å; E897-E901 VanDerWaalsContact O-CG 3.29Å; E897-E901 WeakPolarHBondContact O-CG 3.2Å; E897-E901 PolarHBondContact O-N 2.9Å; E897-Q992 PolarHBondContact OE1-NE2 2.95Å; E897-Q992 WeakPolarHBondContact OE2-CG 3.41Å; E897-Q992 PolarHBondContact OE2-NE2 3.28Å
898	L	97.4	Very high	96.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-42.2	176.9	-67.1	176.7	0	0	0	112.4	V888 C890 L894 Y895 E901 R902 I913 I996 T999	V888-L898 HydrophobicContact CG1-CD1 4.18Å; C890-L898 HydrophobicContact CB-CD1 4.29Å; L894-L898 HydrophobicContact CD1-CD2 4.48Å; L894-L898 HydrophobicContact CD1-CG 4.13Å; L894-L898 HydrophobicContact CD2-CD1 4.22Å; L894-L898 HydrophobicContact CG-CD1 3.85Å; L894-L898 HydrophobicContact CG-CG 3.94Å; L894-L898 WeakPolarHBondContact O-CG 3.4Å; L894-L898 PolarHBondContact O-N 3.19Å; Y895-L898 PolarHBondContact O-N 3.07Å; L898-E901 PolarHBondContact O-N 3.05Å; L898-R902 WeakPolarHBondContact O-CB 3.36Å; L898-R902 PolarHBondContact O-N 3.46Å; L898-I913 HydrophobicContact CB-CD1 3.87Å; L898-I996 HydrophobicContact CD2-CG1 4.44Å; L898-T999 HydrophobicContact CD1-CG2 4.18Å; L898-T999 HydrophobicContact CD2-CG2 3.72Å
899	K	96.1	Very high	96.5	Very high	64 Å²	64	42 Å²	42	28%	0.278	22%	0.216	S	C	.	.	H	α-helix	trans	-59.6	-48.9	177.8	-175.1	-171	-179.1	-168.2	0	111	E853 Y895 E897 A903	E853-K899 IonicContact OE1-NZ 3.08Å; E853-K899 PolarHBondContact OE1-NZ 3.48Å; Y895-K899 HydrophobicContact CE1-CD 4.17Å; Y895-K899 VanDerWaalsContact O-CB 3.3Å; Y895-K899 WeakPolarHBondContact O-CB 3.47Å; Y895-K899 PolarHBondContact O-N 3.09Å; E897-K899 PolarHBondContact O-N 2.97Å; K899-A903 PolarHBondContact O-N 3.18Å; K899-A903 VanDerWaalsContact O-N 3.13Å
900	K	96.1	Very high	96.4	Very high	143 Å²	143	46 Å²	46	62%	0.622	23%	0.234	S	C	*	.	H	α-helix	trans	-61.3	-47.5	178	-179	-173.9	174.2	-169.9	0	111.8	Y896 E897 A903 S904	Y896-K900 WeakPolarHBondContact O-CB 3.49Å; Y896-K900 PolarHBondContact O-N 3.17Å; Y896-K900 VanDerWaalsContact O-N 3.17Å; E897-K900 PolarHBondContact O-N 3.44Å; K900-A903 PolarHBondContact O-N 2.92Å; K900-S904 PolarHBondContact O-N 3.02Å
901	E	96.4	Very high	96.3	Very high	56 Å²	56	46 Å²	46	26%	0.262	23%	0.234	S	C	.	.	H	α-helix	trans	-68.6	-39.1	-177.9	-72	-71.7	139.6	0	0	111.9	E897 L898 A903 S904 R905 I996 L1000	E897-E901 WeakPolarHBondContact O-CB 3.37Å; E897-E901 VanDerWaalsContact O-CG 3.29Å; E897-E901 WeakPolarHBondContact O-CG 3.2Å; E897-E901 PolarHBondContact O-N 2.9Å; L898-E901 PolarHBondContact O-N 3.05Å; E901-A903 VanDerWaalsContact C-N 3.33Å; E901-A903 PolarHBondContact O-N 2.87Å; E901-S904 WeakPolarHBondContact CA-OG 3.48Å; E901-S904 PolarHBondContact O-N 3.47Å; E901-S904 PolarHBondContact O-OG 3.31Å; E901-R905 WeakPolarHBondContact O-CG 3.38Å; E901-R905 PolarHBondContact O-N 3.5Å; E901-R905 IonicContact OE2-NE 3.27Å; E901-R905 IonicContact OE2-NH2 3.57Å; E901-I996 HydrophobicContact CB-CG2 3.71Å; E901-I996 HydrophobicContact CG-CD1 4.22Å; E901-I996 HydrophobicContact CG-CG2 3.69Å; E901-L1000 HydrophobicContact CB-CD1 3.72Å
902	R	96.6	Very high	96.2	Very high	6 Å²	6	45.5 Å²	45.5	2%	0.023	23%	0.23	C	C	.	.	H	α-helix	trans	-55.9	-47.2	172.3	-179.7	-175.8	72.3	175.4	0.4	111.6	E873 L898 R905 N906 L907 E908 V911 I913 L1000	E873-R902 IonicContact OE1-CZ 2.74Å; E873-R902 IonicContact OE1-NH1 3.93Å; E873-R902 PolarHBondContact OE1-NH1 3.45Å; E873-R902 IonicContact OE1-NH2 2.71Å; E873-R902 PolarHBondContact OE1-NH2 3.05Å; E873-R902 VanDerWaalsContact OE1-NH2 3.08Å; E873-R902 IonicContact OE2-CZ 3.89Å; E873-R902 IonicContact OE2-NH1 3.21Å; E873-R902 PolarHBondContact OE2-NH1 2.8Å; E873-R902 IonicContact OE2-NH2 2.73Å; L898-R902 WeakPolarHBondContact O-CB 3.36Å; L898-R902 PolarHBondContact O-N 3.46Å; R902-R905 PolarHBondContact O-N 3.37Å; R902-N906 PolarHBondContact O-N 3.49Å; R902-L907 HydrophobicContact CG-CB 3.94Å; R902-L907 PolarHBondContact O-N 3.16Å; R902-E908 HydrophobicContact CG-CG 4.29Å; R902-V911 WeakPolarHBondContact CD-O 3.41Å; R902-V911 HydrophobicContact CG-CB 4.48Å; R902-V911 PolarHBondContact NH1-O 2.75Å; R902-I913 HydrophobicContact CB-CD1 4.35Å; R902-L1000 HydrophobicContact CB-CD2 4.26Å
903	A	95.1	Very high	96.3	Very high	35 Å²	35	45.6 Å²	45.6	29%	0.289	23%	0.23	S	C	.	.	H	α-helix	trans	-63.3	-45.1	177.1	0	0	0	0	0	111.4	K899 K900 E901 R905 N906 E908	K899-A903 PolarHBondContact O-N 3.18Å; K899-A903 VanDerWaalsContact O-N 3.13Å; K900-A903 PolarHBondContact O-N 2.92Å; E901-A903 VanDerWaalsContact C-N 3.33Å; E901-A903 PolarHBondContact O-N 2.87Å; A903-R905 PolarHBondContact O-N 3Å; A903-N906 PolarHBondContact O-N 3.13Å; A903-E908 HydrophobicContact CB-CG 4.23Å
904	S	95.5	Very high	96.3	Very high	76 Å²	76	44.7 Å²	44.7	53%	0.531	23%	0.226	S	C	.	.	H	α-helix	trans	-61.7	-27.1	179.1	77.9	0	0	0	0	114.1	K900 E901	K900-S904 PolarHBondContact O-N 3.02Å; E901-S904 WeakPolarHBondContact CA-OG 3.48Å; E901-S904 PolarHBondContact O-N 3.47Å; E901-S904 PolarHBondContact O-OG 3.31Å
905	R	95.1	Very high	96.3	Very high	87 Å²	87	45.6 Å²	45.6	33%	0.328	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	3.4	177.7	-61.9	-179.6	-165.1	-153.9	2.2	113.2	E901 R902 A903 L907 S997	E901-R905 WeakPolarHBondContact O-CG 3.38Å; E901-R905 PolarHBondContact O-N 3.5Å; E901-R905 IonicContact OE2-NE 3.27Å; E901-R905 IonicContact OE2-NH2 3.57Å; R902-R905 PolarHBondContact O-N 3.37Å; A903-R905 PolarHBondContact O-N 3Å; R905-L907 VanDerWaalsContact C-N 3.28Å; R905-L907 HydrophobicContact CB-CD1 3.84Å; R905-L907 HydrophobicContact CB-CG 3.88Å; R905-L907 PolarHBondContact O-N 3.32Å; R905-S997 PolarHBondContact NH1-OG 2.98Å
906	N	94.5	Very high	96.4	Very high	134 Å²	134	45 Å²	45	72%	0.717	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	38.7	-175.6	-55	-65.4	0	0	0	113.4	R902 A903	R902-N906 PolarHBondContact O-N 3.49Å; A903-N906 PolarHBondContact O-N 3.13Å
907	L	95.4	Very high	96.4	Very high	28 Å²	28	44.4 Å²	44.4	15%	0.147	23%	0.225	C	C	.	.			trans	-101.8	10.2	-177.6	-66.1	176.9	0	0	0	113.3	R902 R905 S909 K910 V911 L1000 I1002	R902-L907 HydrophobicContact CG-CB 3.94Å; R902-L907 PolarHBondContact O-N 3.16Å; R905-L907 VanDerWaalsContact C-N 3.28Å; R905-L907 HydrophobicContact CB-CD1 3.84Å; R905-L907 HydrophobicContact CB-CG 3.88Å; R905-L907 PolarHBondContact O-N 3.32Å; L907-S909 PolarHBondContact O-N 2.8Å; L907-K910 HydrophobicContact CD2-CD 4.04Å; L907-K910 PolarHBondContact O-N 3.14Å; L907-V911 HydrophobicContact CB-CG2 4.11Å; L907-V911 PolarHBondContact O-N 2.86Å; L907-L1000 HydrophobicContact CD1-CB 4.19Å; L907-I1002 HydrophobicContact CD2-CD1 4.27Å
908	E	94.5	Very high	96.5	Very high	74 Å²	74	41.6 Å²	41.6	35%	0.346	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-28.1	-172	-61.7	-177.3	109.3	0	0	114.2	P876 A877 R902 A903	P876-E908 HydrophobicContact CB-CB 4.35Å; P876-E908 HydrophobicContact CG-CB 4.1Å; A877-E908 VanDerWaalsContact CB-O 3.28Å; A877-E908 WeakPolarHBondContact CB-O 3.16Å; A877-E908 PolarHBondContact N-O 3Å; R902-E908 HydrophobicContact CG-CG 4.29Å; A903-E908 HydrophobicContact CB-CG 4.23Å
909	S	94.4	Very high	96.6	Very high	65 Å²	65	41.6 Å²	41.6	46%	0.455	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-13.6	175.6	56.5	0	0	0	0	113.9	L907	L907-S909 PolarHBondContact O-N 2.8Å
910	K	95.5	Very high	96.7	Very high	84 Å²	84	38.5 Å²	38.5	37%	0.365	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-25	-175.9	-68.7	-176.7	168.8	-129.4	0	113.6	V884 E885 R886 L907 I1002	V884-K910 CarbonylContact C-O 3.56Å; E885-K910 PolarHBondContact N-O 3.18Å; E885-K910 WeakPolarHBondContact OE1-CD 3.12Å; E885-K910 WeakPolarHBondContact OE1-CE 3.29Å; E885-K910 IonicContact OE1-NZ 2.95Å; E885-K910 PolarHBondContact OE1-NZ 3.43Å; E885-K910 IonicContact OE2-NZ 2.77Å; R886-K910 PolarHBondContact N-O 3.13Å; L907-K910 HydrophobicContact CD2-CD 4.04Å; L907-K910 PolarHBondContact O-N 3.14Å; K910-I1002 HydrophobicContact CB-CD1 4.03Å; K910-I1002 HydrophobicContact CD-CD1 4.27Å
911	V	96.8	Very high	96.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	113.1	-175.5	-177.6	0	0	0	0	109.5	R886 V888 R902 L907 I913 L1000 I1002	R886-V911 HydrophobicContact CB-CG1 4.35Å; R886-V911 HydrophobicContact CB-CG2 4.39Å; R886-V911 CarbonylContact O-C 3.58Å; R886-V911 WeakPolarHBondContact O-CA 3.39Å; V888-V911 HydrophobicContact CG2-CG1 3.75Å; R902-V911 WeakPolarHBondContact CD-O 3.41Å; R902-V911 HydrophobicContact CG-CB 4.48Å; R902-V911 PolarHBondContact NH1-O 2.75Å; L907-V911 HydrophobicContact CB-CG2 4.11Å; L907-V911 PolarHBondContact O-N 2.86Å; V911-I913 HydrophobicContact CG1-CG1 4.41Å; V911-L1000 HydrophobicContact CG1-CD2 4.11Å; V911-I1002 HydrophobicContact CG2-CD1 3.97Å; V911-I1002 HydrophobicContact CG2-CG1 4.43Å
912	A	97.5	Very high	96.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	141.2	169.8	0	0	0	0	0	110.2	E873 A877 V884 R886 L887 V888 Y934	E873-A912 HydrophobicContact CB-CB 4.09Å; E873-A912 HydrophobicContact CG-CB 4.02Å; A877-A912 HydrophobicContact CB-CB 3.96Å; V884-A912 HydrophobicContact CG1-CB 3.94Å; R886-A912 PolarHBondContact O-N 2.89Å; L887-A912 HydrophobicContact CD1-CB 3.72Å; V888-A912 PolarHBondContact N-O 2.92Å; A912-Y934 HydrophobicContact CB-CD1 4.35Å; A912-Y934 HydrophobicContact CB-CD2 4.32Å; A912-Y934 HydrophobicContact CB-CE1 3.94Å; A912-Y934 HydrophobicContact CB-CE2 3.88Å
913	I	98	Very high	96.7	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	113.3	177.3	-53.7	171	0	0	0	109	E873 V888 Y895 L898 R902 V911	E873-I913 PolarHBondContact OE2-N 3.3Å; V888-I913 HydrophobicContact CB-CG1 4.38Å; V888-I913 CarbonylContact O-C 3.6Å; V888-I913 WeakPolarHBondContact O-CA 3.4Å; Y895-I913 HydrophobicContact CD2-CG2 3.76Å; Y895-I913 HydrophobicContact CE2-CG2 4.12Å; L898-I913 HydrophobicContact CB-CD1 3.87Å; R902-I913 HydrophobicContact CB-CD1 4.35Å; V911-I913 HydrophobicContact CG1-CG1 4.41Å
914	A	98.2	Very high	96.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	144.3	175.2	0	0	0	0	0	110.9	L887 V888 F889 C890 E930	L887-A914 HydrophobicContact CD1-CB 4.22Å; V888-A914 PolarHBondContact O-N 2.99Å; F889-A914 WeakPolarHBondContact CA-O 3.45Å; F889-A914 HydrophobicContact CD1-CB 3.88Å; F889-A914 HydrophobicContact CE1-CB 3.91Å; C890-A914 PolarHBondContact N-O 2.72Å; A914-E930 HydrophobicContact CB-CG 3.87Å
915	R	98.5	Very high	96.5	Very high	19 Å²	19	25.5 Å²	25.5	7%	0.072	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.2	-179.2	-67.5	168.9	-84.9	-178.8	-8.5	110.8	T819 V870 I871 C890 Y895	T819-R915 VanDerWaalsContact OG1-CD 3.26Å; T819-R915 WeakPolarHBondContact OG1-CD 3.33Å; T819-R915 PolarHBondContact OG1-NH1 3.34Å; V870-R915 CarbonylContact C-O 3.49Å; V870-R915 VanDerWaalsContact CA-O 3.26Å; V870-R915 WeakPolarHBondContact CA-O 3.45Å; V870-R915 WeakPolarHBondContact CG1-O 3.27Å; I871-R915 HydrophobicContact CB-CB 4.25Å; I871-R915 PolarHBondContact N-O 3.1Å; I871-R915 PolarHBondContact O-N 2.86Å; C890-R915 CarbonylContact O-C 3.6Å; C890-R915 WeakPolarHBondContact O-CA 3.48Å; Y895-R915 HydrophobicContact CD2-CG 3.59Å; Y895-R915 HydrophobicContact CE2-CG 4.22Å; Y895-R915 HydrophobicContact CG-CG 3.83Å
916	I	98.7	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	102.9	167.7	-55.1	-168.7	0	0	0	107.6	F889 C890 S891 Q918 L919 F922 P923 V927 W941	F889-I916 HydrophobicContact CB-CD1 4.44Å; F889-I916 HydrophobicContact CD1-CD1 4.17Å; F889-I916 HydrophobicContact CD1-CG1 4.11Å; F889-I916 HydrophobicContact CG-CD1 4.48Å; C890-I916 PolarHBondContact O-N 2.97Å; S891-I916 WeakPolarHBondContact CB-O 3.49Å; S891-I916 PolarHBondContact OG-O 3.12Å; I916-Q918 WeakPolarHBondContact CG2-O 3.38Å; I916-L919 HydrophobicContact CB-CD2 4.47Å; I916-L919 HydrophobicContact CG2-CD2 3.98Å; I916-F922 HydrophobicContact CD1-CE2 3.99Å; I916-F922 HydrophobicContact CD1-CZ 4.28Å; I916-P923 HydrophobicContact CG2-CG 4.05Å; I916-V927 HydrophobicContact CD1-CG2 3.67Å; I916-V927 HydrophobicContact CG1-CG2 4.29Å; I916-W941 HydrophobicContact CD1-CZ3 3.82Å; I916-W941 HydrophobicContact CG1-CZ3 4.28Å
917	E	98.7	Very high	96.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.			trans	-85.4	-39.3	-176.9	-61	-85.6	119.4	0	0	111	A816 N817 C818 T819 N823 Y867 R868 R869 I871	A816-E917 CarbonylContact C-O 3.58Å; A816-E917 WeakPolarHBondContact CA-O 3.31Å; A816-E917 WeakPolarHBondContact CB-O 3.46Å; N817-E917 PolarHBondContact N-O 2.93Å; C818-E917 WeakPolarHBondContact CA-OE2 3.28Å; T819-E917 VanDerWaalsContact CB-OE1 3.26Å; T819-E917 WeakPolarHBondContact CB-OE1 3.31Å; T819-E917 WeakPolarHBondContact CG2-OE1 3.15Å; T819-E917 PolarHBondContact N-OE1 3.08Å; T819-E917 VanDerWaalsContact N-OE1 3.14Å; T819-E917 PolarHBondContact N-OE2 2.99Å; T819-E917 PolarHBondContact OG1-OE1 2.94Å; N823-E917 WeakPolarHBondContact ND2-CB 3.29Å; N823-E917 VanDerWaalsContact ND2-CG 3.28Å; N823-E917 WeakPolarHBondContact ND2-CG 3.43Å; N823-E917 PolarHBondContact ND2-OE2 3.31Å; Y867-E917 PolarHBondContact OH-O 2.92Å; R868-E917 WeakPolarHBondContact O-CB 3.49Å; R869-E917 PolarHBondContact O-N 3.06Å; I871-E917 HydrophobicContact CD1-CG 3.78Å; I871-E917 HydrophobicContact CG1-CG 3.86Å
918	Q	98.5	Very high	96.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.4	170.1	-176.2	177.7	-68.2	0	0	109.5	I814 Y867 R869 I916 S920 P921 P923	I814-Q918 HydrophobicContact CG2-CG 4.48Å; Y867-Q918 HydrophobicContact CE1-CB 3.93Å; Y867-Q918 PolarHBondContact OH-N 2.8Å; R869-Q918 HydrophobicContact CB-CB 4.18Å; R869-Q918 HydrophobicContact CG-CB 4.25Å; R869-Q918 PolarHBondContact O-N 3.34Å; R869-Q918 VanDerWaalsContact O-N 3.1Å; I916-Q918 WeakPolarHBondContact CG2-O 3.38Å; Q918-S920 WeakPolarHBondContact CG-O 3.44Å; Q918-P921 PolarHBondContact NE2-O 3.23Å; Q918-P923 VanDerWaalsContact O-CD 3.24Å; Q918-P923 WeakPolarHBondContact O-CD 3.27Å
919	L	98.3	Very high	96.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-43.6	179.1	-67.2	166.6	0	0	0	111	L782 L786 V815 N817 I916 F922 W941 A951 Y954 V955	L782-L919 HydrophobicContact CD1-CD1 3.65Å; L782-L919 HydrophobicContact CD2-CD1 3.54Å; L782-L919 HydrophobicContact CG-CD1 4.12Å; L786-L919 HydrophobicContact CD1-CD1 4.4Å; L786-L919 HydrophobicContact CD2-CB 3.8Å; V815-L919 PolarHBondContact O-N 3.3Å; N817-L919 HydrophobicContact CB-CD1 4.44Å; I916-L919 HydrophobicContact CB-CD2 4.47Å; I916-L919 HydrophobicContact CG2-CD2 3.98Å; L919-F922 WeakPolarHBondContact O-CA 3.36Å; L919-F922 PolarHBondContact O-N 3.28Å; L919-W941 HydrophobicContact CD2-CH2 4.12Å; L919-A951 HydrophobicContact CD1-CB 4.13Å; L919-A951 HydrophobicContact CD2-CB 3.82Å; L919-Y954 VanDerWaalsContact O-CE1 3.22Å; L919-Y954 WeakPolarHBondContact O-CE1 3.29Å; L919-V955 HydrophobicContact CD2-CG1 4.11Å
920	S	97.7	Very high	96.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.2	174.1	-164.5	0	0	0	0	110.7	C789 I814 V815 Q918 Y954	C789-S920 WeakPolarHBondContact CB-OG 3.26Å; C789-S920 VanDerWaalsContact SG-CB 3.59Å; C789-S920 PolarHBondContact SG-OG 3.37Å; C789-S920 VanDerWaalsContact SG-OG 3.33Å; I814-S920 WeakPolarHBondContact CA-O 3.48Å; V815-S920 PolarHBondContact N-O 3.37Å; V815-S920 PolarHBondContact O-N 2.77Å; Q918-S920 WeakPolarHBondContact CG-O 3.44Å; S920-Y954 WeakPolarHBondContact CB-OH 3.17Å; S920-Y954 PolarHBondContact OG-OH 3.06Å
921	P	96.8	Very high	96.3	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.006	7%	0.071	C	C	.	.	S	Bend	cis	-65.7	146.9	-10.4	27.8	-32.6	0	0	0	110.8	Q807 L808 T811 Q918	Q807-P921 HydrophobicContact CB-CB 3.95Å; Q807-P921 HydrophobicContact CB-CG 3.82Å; L808-P921 HydrophobicContact CD2-CG 4.13Å; T811-P921 HydrophobicContact CG2-CG 4.22Å; Q918-P921 PolarHBondContact NE2-O 3.23Å
922	F	96.8	Very high	96.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.093	C	C	.	.			trans	-68.8	130.4	-171.4	-172.6	-101.3	0	0	0	112.1	D791 Q807 I916 L919 Y924 V927 Y954 V955 R958 I959	D791-F922 WeakPolarHBondContact OD2-CB 3.35Å; D791-F922 PolarHBondContact OD2-N 3.22Å; Q807-F922 PolarHBondContact NE2-O 2.99Å; I916-F922 HydrophobicContact CD1-CE2 3.99Å; I916-F922 HydrophobicContact CD1-CZ 4.28Å; L919-F922 WeakPolarHBondContact O-CA 3.36Å; L919-F922 PolarHBondContact O-N 3.28Å; F922-Y924 VanDerWaalsContact C-N 3.28Å; F922-Y924 HydrophobicContact CB-CD2 4.28Å; F922-Y924 HydrophobicContact CB-CE2 3.94Å; F922-Y924 AromaticContact CD1-CD1 3.75Å; F922-Y924 HydrophobicContact CD1-CD1 3.75Å; F922-Y924 AromaticContact CD1-CD2 3.9Å; F922-Y924 HydrophobicContact CD1-CD2 3.9Å; F922-Y924 AromaticContact CD1-CE1 3.83Å; F922-Y924 HydrophobicContact CD1-CE1 3.83Å; F922-Y924 AromaticContact CD1-CE2 3.99Å; F922-Y924 HydrophobicContact CD1-CE2 3.99Å; F922-Y924 AromaticContact CD1-CG 3.77Å; F922-Y924 HydrophobicContact CD1-CG 3.77Å; F922-Y924 AromaticContact CD1-CZ 3.95Å; F922-Y924 HydrophobicContact CE1-CD1 4.12Å; F922-Y924 HydrophobicContact CE1-CE1 4.36Å; F922-Y924 HydrophobicContact CE1-CG 4.39Å; F922-Y924 HydrophobicContact CG-CE2 4.46Å; F922-Y924 WeakPolarHBondContact O-CD2 3.24Å; F922-Y924 PolarHBondContact O-N 3.49Å; F922-V927 HydrophobicContact CE1-CB 4.3Å; F922-V927 HydrophobicContact CE1-CG1 4.42Å; F922-V927 HydrophobicContact CE1-CG2 4.17Å; F922-V927 HydrophobicContact CE2-CG2 4.49Å; F922-V927 HydrophobicContact CZ-CB 4.26Å; F922-V927 HydrophobicContact CZ-CG1 4.15Å; F922-V927 HydrophobicContact CZ-CG2 3.82Å; F922-Y954 HydrophobicContact CB-CE1 4.33Å; F922-Y954 HydrophobicContact CD2-CE1 4.46Å; F922-V955 HydrophobicContact CD2-CG1 4.36Å; F922-V955 HydrophobicContact CE2-CB 4.07Å; F922-V955 HydrophobicContact CE2-CG1 3.98Å; F922-R958 HydrophobicContact CB-CB 4.46Å; F922-R958 HydrophobicContact CD1-CB 3.65Å; F922-R958 HydrophobicContact CD2-CB 4.29Å; F922-R958 HydrophobicContact CE1-CB 3.89Å; F922-R958 HydrophobicContact CG-CB 3.87Å; F922-R958 HydrophobicContact CG-CG 4.45Å; F922-R958 HydrophobicContact CZ-CB 4.32Å; F922-I959 HydrophobicContact CE1-CG1 4.29Å; F922-I959 HydrophobicContact CE2-CG1 4.36Å; F922-I959 HydrophobicContact CZ-CD1 4.34Å; F922-I959 HydrophobicContact CZ-CG1 3.56Å
923	P	95.5	Very high	95.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.			trans	-82	67.3	-175.4	32.5	-35.1	0	0	0	112.2	R869 V870 I916 Q918 D925 L926 V927	R869-P923 HydrophobicContact CB-CB 4.12Å; R869-P923 VanDerWaalsContact NH1-CB 3.33Å; V870-P923 HydrophobicContact CG2-CB 3.94Å; V870-P923 HydrophobicContact CG2-CG 3.55Å; I916-P923 HydrophobicContact CG2-CG 4.05Å; Q918-P923 VanDerWaalsContact O-CD 3.24Å; Q918-P923 WeakPolarHBondContact O-CD 3.27Å; P923-D925 VanDerWaalsContact C-N 3.3Å; P923-D925 PolarHBondContact O-N 2.82Å; P923-L926 HydrophobicContact CB-CB 4.47Å; P923-L926 PolarHBondContact O-N 3.25Å; P923-V927 HydrophobicContact CG-CG2 4.11Å; P923-V927 WeakPolarHBondContact O-CG2 3.48Å; P923-V927 PolarHBondContact O-N 3.04Å
924	Y	94.3	Very high	95.8	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-52.4	-45.5	-177	-69.5	-88.2	0	0	0	113.3	D792 M796 F803 F922 L926 Y928 R958 T961 A962	D792-Y924 PolarHBondContact O-OH 2.97Å; D792-Y924 VanDerWaalsContact O-OH 3.13Å; M796-Y924 HydrophobicContact CG-CD1 4Å; M796-Y924 HydrophobicContact CG-CD2 3.96Å; M796-Y924 HydrophobicContact CG-CE1 4.47Å; M796-Y924 HydrophobicContact CG-CE2 4.43Å; M796-Y924 HydrophobicContact CG-CG 3.73Å; M796-Y924 VanDerWaalsContact SD-CB 3.52Å; M796-Y924 HydrophobicContact SD-CD1 3.71Å; M796-Y924 HydrophobicContact SD-CG 3.69Å; F803-Y924 HydrophobicContact CZ-CD2 4.38Å; F922-Y924 VanDerWaalsContact C-N 3.28Å; F922-Y924 HydrophobicContact CB-CD2 4.28Å; F922-Y924 HydrophobicContact CB-CE2 3.94Å; F922-Y924 AromaticContact CD1-CD1 3.75Å; F922-Y924 HydrophobicContact CD1-CD1 3.75Å; F922-Y924 AromaticContact CD1-CD2 3.9Å; F922-Y924 HydrophobicContact CD1-CD2 3.9Å; F922-Y924 AromaticContact CD1-CE1 3.83Å; F922-Y924 HydrophobicContact CD1-CE1 3.83Å; F922-Y924 AromaticContact CD1-CE2 3.99Å; F922-Y924 HydrophobicContact CD1-CE2 3.99Å; F922-Y924 AromaticContact CD1-CG 3.77Å; F922-Y924 HydrophobicContact CD1-CG 3.77Å; F922-Y924 AromaticContact CD1-CZ 3.95Å; F922-Y924 HydrophobicContact CE1-CD1 4.12Å; F922-Y924 HydrophobicContact CE1-CE1 4.36Å; F922-Y924 HydrophobicContact CE1-CG 4.39Å; F922-Y924 HydrophobicContact CG-CE2 4.46Å; F922-Y924 WeakPolarHBondContact O-CD2 3.24Å; F922-Y924 PolarHBondContact O-N 3.49Å; Y924-L926 PolarHBondContact O-N 2.58Å; Y924-Y928 WeakPolarHBondContact O-CB 3.49Å; Y924-Y928 PolarHBondContact O-N 3.06Å; Y924-R958 HydrophobicContact CE1-CB 3.84Å; Y924-R958 HydrophobicContact CE1-CG 4.46Å; Y924-R958 WeakPolarHBondContact CE1-O 3.47Å; Y924-R958 WeakPolarHBondContact OH-CG 3.4Å; Y924-T961 HydrophobicContact CE1-CG2 4.32Å; Y924-A962 HydrophobicContact CD1-CB 4.03Å
925	D	93	Very high	95.4	Very high	39 Å²	39	23.9 Å²	23.9	21%	0.209	13%	0.134	C	C	.	.	H	α-helix	trans	-56.9	-47.1	-179.9	61.1	-35.2	0	0	0	112.2	F803 R869 P923 A929	F803-D925 HydrophobicContact CD1-CB 4Å; F803-D925 HydrophobicContact CE1-CB 3.86Å; F803-D925 VanDerWaalsContact CE1-OD1 3.31Å; F803-D925 WeakPolarHBondContact CE1-OD1 3.15Å; R869-D925 IonicContact CZ-OD1 2.82Å; R869-D925 IonicContact CZ-OD2 2.76Å; R869-D925 IonicContact NH1-OD1 3.42Å; R869-D925 PolarHBondContact NH1-OD1 2.94Å; R869-D925 IonicContact NH1-OD2 3.66Å; R869-D925 IonicContact NH2-OD1 3.82Å; R869-D925 PolarHBondContact NH2-OD1 3.38Å; R869-D925 IonicContact NH2-OD2 2.79Å; R869-D925 PolarHBondContact NH2-OD2 3.28Å; P923-D925 VanDerWaalsContact C-N 3.3Å; P923-D925 PolarHBondContact O-N 2.82Å; D925-A929 VanDerWaalsContact O-CB 3.23Å; D925-A929 WeakPolarHBondContact O-CB 3.35Å; D925-A929 PolarHBondContact O-N 2.81Å
926	L	94.7	Very high	95	Very high	56 Å²	56	28.6 Å²	28.6	29%	0.293	16%	0.161	S	C	.	.	H	α-helix	trans	-80.4	-36.7	-176.4	-59.7	-177.9	0	0	0	112.7	R869 V870 P923 Y924 A929 E930	R869-L926 HydrophobicContact CB-CD1 3.92Å; V870-L926 HydrophobicContact CB-CB 3.91Å; V870-L926 HydrophobicContact CB-CD1 4.07Å; V870-L926 HydrophobicContact CG2-CB 3.72Å; V870-L926 HydrophobicContact CG2-CD1 4.19Å; P923-L926 HydrophobicContact CB-CB 4.47Å; P923-L926 PolarHBondContact O-N 3.25Å; Y924-L926 PolarHBondContact O-N 2.58Å; L926-A929 PolarHBondContact O-N 2.99Å; L926-E930 WeakPolarHBondContact O-CB 3.42Å; L926-E930 PolarHBondContact O-N 3.11Å
927	V	94.7	Very high	94.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.5	-42.8	176.5	171.5	0	0	0	0	110.6	V870 F889 I916 F922 P923 A931 I959	V870-V927 HydrophobicContact CG2-CG2 4.15Å; F889-V927 HydrophobicContact CE1-CG1 4.15Å; F889-V927 HydrophobicContact CE2-CG1 4.3Å; F889-V927 HydrophobicContact CZ-CG1 3.86Å; I916-V927 HydrophobicContact CD1-CG2 3.67Å; I916-V927 HydrophobicContact CG1-CG2 4.29Å; F922-V927 HydrophobicContact CE1-CB 4.3Å; F922-V927 HydrophobicContact CE1-CG1 4.42Å; F922-V927 HydrophobicContact CE1-CG2 4.17Å; F922-V927 HydrophobicContact CE2-CG2 4.49Å; F922-V927 HydrophobicContact CZ-CB 4.26Å; F922-V927 HydrophobicContact CZ-CG1 4.15Å; F922-V927 HydrophobicContact CZ-CG2 3.82Å; P923-V927 HydrophobicContact CG-CG2 4.11Å; P923-V927 WeakPolarHBondContact O-CG2 3.48Å; P923-V927 PolarHBondContact O-N 3.04Å; V927-A931 PolarHBondContact O-N 2.8Å; V927-A931 VanDerWaalsContact O-N 3.1Å; V927-I959 HydrophobicContact CG1-CG1 4.29Å
928	Y	93.3	Very high	94.5	Very high	124 Å²	124	32.9 Å²	32.9	49%	0.486	18%	0.182	S	C	.	.	H	α-helix	trans	-62.3	-49.3	173.4	179.3	-93.3	0	0	0	111.2	Y924 E930 A931 A932 A962 F963	Y924-Y928 WeakPolarHBondContact O-CB 3.49Å; Y924-Y928 PolarHBondContact O-N 3.06Å; Y928-E930 VanDerWaalsContact C-N 3.29Å; Y928-E930 PolarHBondContact O-N 3.11Å; Y928-A931 PolarHBondContact O-N 2.84Å; Y928-A932 WeakPolarHBondContact O-CB 3.49Å; Y928-A932 PolarHBondContact O-N 3.29Å; Y928-A962 VanDerWaalsContact CD2-O 3.31Å; Y928-A962 WeakPolarHBondContact CD2-O 3.36Å; Y928-F963 AromaticContact CD2-CD1 3.98Å; Y928-F963 HydrophobicContact CD2-CD1 3.98Å; Y928-F963 AromaticContact CD2-CE1 3.71Å; Y928-F963 HydrophobicContact CD2-CE1 3.71Å; Y928-F963 HydrophobicContact CD2-CZ 4.36Å; Y928-F963 HydrophobicContact CE2-CD1 4.15Å; Y928-F963 HydrophobicContact CE2-CE1 4.14Å
929	A	93.5	Very high	94.4	Very high	47 Å²	47	33.1 Å²	33.1	39%	0.388	18%	0.183	S	C	.	.	H	α-helix	trans	-59.5	-39.2	-179.9	0	0	0	0	0	112.4	D925 L926	D925-A929 VanDerWaalsContact O-CB 3.23Å; D925-A929 WeakPolarHBondContact O-CB 3.35Å; D925-A929 PolarHBondContact O-N 2.81Å; L926-A929 PolarHBondContact O-N 2.99Å
930	E	95.1	Very high	94.3	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	18%	0.184	C	C	.	.	H	α-helix	trans	-68	-47.5	177.7	-172.4	65.5	-176.7	0	0	111.9	S872 E873 L887 F889 A914 L926 Y928 A932 K933 Y934	S872-E930 WeakPolarHBondContact CA-OE1 3.48Å; S872-E930 WeakPolarHBondContact CB-OE1 3.38Å; S872-E930 WeakPolarHBondContact CB-OE2 3.43Å; S872-E930 PolarHBondContact OG-OE2 2.83Å; E873-E930 PolarHBondContact N-OE1 2.98Å; E873-E930 VanDerWaalsContact N-OE1 3.12Å; L887-E930 HydrophobicContact CD1-CG 4.48Å; L887-E930 HydrophobicContact CD2-CG 4.45Å; F889-E930 HydrophobicContact CE1-CB 4.39Å; F889-E930 HydrophobicContact CE1-CG 4.33Å; A914-E930 HydrophobicContact CB-CG 3.87Å; L926-E930 WeakPolarHBondContact O-CB 3.42Å; L926-E930 PolarHBondContact O-N 3.11Å; Y928-E930 VanDerWaalsContact C-N 3.29Å; Y928-E930 PolarHBondContact O-N 3.11Å; E930-A932 VanDerWaalsContact C-N 3.27Å; E930-A932 PolarHBondContact O-N 2.96Å; E930-K933 WeakPolarHBondContact O-CB 3.16Å; E930-K933 PolarHBondContact O-N 2.87Å; E930-K933 WeakPolarHBondContact OE2-CE 3.4Å; E930-K933 IonicContact OE2-NZ 3.35Å; E930-K933 PolarHBondContact OE2-NZ 3.39Å; E930-Y934 HydrophobicContact CG-CE2 4.48Å; E930-Y934 WeakPolarHBondContact O-CD2 3.37Å
931	A	93.7	Very high	94.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.8	-27.8	179	0	0	0	0	0	113.5	L887 F889 V927 Y928 K933 Y934 L939 F963	L887-A931 HydrophobicContact CD2-CB 3.9Å; F889-A931 HydrophobicContact CZ-CB 4.31Å; V927-A931 PolarHBondContact O-N 2.8Å; V927-A931 VanDerWaalsContact O-N 3.1Å; Y928-A931 PolarHBondContact O-N 2.84Å; A931-K933 PolarHBondContact O-N 2.79Å; A931-Y934 CarbonylContact O-C 3.45Å; A931-Y934 PolarHBondContact O-N 3.38Å; A931-Y934 VanDerWaalsContact O-N 3.15Å; A931-L939 HydrophobicContact CB-CD2 4.13Å; A931-F963 HydrophobicContact CB-CE1 3.65Å; A931-F963 HydrophobicContact CB-CE2 4.19Å; A931-F963 HydrophobicContact CB-CZ 3.19Å
932	A	92.2	Very high	94.4	Very high	56 Å²	56	33.2 Å²	33.2	46%	0.463	18%	0.184	S	C	.	.	H	α-helix	trans	-64.3	-27.1	175.3	0	0	0	0	0	112.2	Y928 E930 Y934	Y928-A932 WeakPolarHBondContact O-CB 3.49Å; Y928-A932 PolarHBondContact O-N 3.29Å; E930-A932 VanDerWaalsContact C-N 3.27Å; E930-A932 PolarHBondContact O-N 2.96Å; A932-Y934 VanDerWaalsContact C-N 3.3Å; A932-Y934 PolarHBondContact O-N 2.86Å
933	K	94.2	Very high	94.5	Very high	99 Å²	99	33.4 Å²	33.4	43%	0.43	19%	0.185	S	C	.	.	H	α-helix	trans	-63.9	-36.5	173	-61.6	172.3	-174.6	169.4	0	111.6	S872 P881 E930 A931	S872-K933 PolarHBondContact OG-NZ 2.61Å; P881-K933 WeakPolarHBondContact CB-O 3.36Å; E930-K933 WeakPolarHBondContact O-CB 3.16Å; E930-K933 PolarHBondContact O-N 2.87Å; E930-K933 WeakPolarHBondContact OE2-CE 3.4Å; E930-K933 IonicContact OE2-NZ 3.35Å; E930-K933 PolarHBondContact OE2-NZ 3.39Å; A931-K933 PolarHBondContact O-N 2.79Å
934	Y	94.5	Very high	94.6	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.008	19%	0.186	C	C	.	.			trans	-108.9	64.2	-173.8	-51.5	-74.2	0	0	0	111.1	P881 V884 L887 A912 E930 A931 A932 N936 A937	P881-Y934 HydrophobicContact CB-CD1 3.7Å; P881-Y934 HydrophobicContact CB-CE1 3.87Å; P881-Y934 HydrophobicContact CG-CE1 4.34Å; V884-Y934 HydrophobicContact CB-CD1 3.65Å; V884-Y934 HydrophobicContact CB-CE1 4.29Å; V884-Y934 HydrophobicContact CB-CG 4.44Å; V884-Y934 HydrophobicContact CG1-CD1 3.85Å; V884-Y934 HydrophobicContact CG1-CE1 4.44Å; V884-Y934 HydrophobicContact CG1-CG 4.31Å; V884-Y934 HydrophobicContact CG2-CD1 3.57Å; V884-Y934 HydrophobicContact CG2-CE1 3.71Å; L887-Y934 HydrophobicContact CB-CD2 4.5Å; L887-Y934 HydrophobicContact CD1-CD2 3.9Å; L887-Y934 HydrophobicContact CD1-CE2 4.03Å; L887-Y934 HydrophobicContact CD2-CD2 3.96Å; L887-Y934 HydrophobicContact CG-CD2 4.35Å; A912-Y934 HydrophobicContact CB-CD1 4.35Å; A912-Y934 HydrophobicContact CB-CD2 4.32Å; A912-Y934 HydrophobicContact CB-CE1 3.94Å; A912-Y934 HydrophobicContact CB-CE2 3.88Å; E930-Y934 HydrophobicContact CG-CE2 4.48Å; E930-Y934 WeakPolarHBondContact O-CD2 3.37Å; A931-Y934 CarbonylContact O-C 3.45Å; A931-Y934 PolarHBondContact O-N 3.38Å; A931-Y934 VanDerWaalsContact O-N 3.15Å; A932-Y934 VanDerWaalsContact C-N 3.3Å; A932-Y934 PolarHBondContact O-N 2.86Å; Y934-N936 VanDerWaalsContact C-N 3.27Å; Y934-N936 PolarHBondContact O-N 2.66Å; Y934-A937 WeakPolarHBondContact O-CB 3.22Å; Y934-A937 PolarHBondContact O-N 3.24Å; Y934-A937 VanDerWaalsContact O-N 3.12Å
935	A	89.8	Confident	94.8	Very high	54 Å²	54	34 Å²	34	45%	0.446	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-33.8	-169.6	0	0	0	0	0	114.2	K967	A935-K967 PolarHBondContact O-NZ 2.73Å
936	N	90.4	Very high	95.1	Very high	118 Å²	118	32.5 Å²	32.5	63%	0.631	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-8.7	-178.2	-59	-35.4	0	0	0	113.9	D882 Y934	D882-N936 PolarHBondContact O-ND2 3.44Å; Y934-N936 VanDerWaalsContact C-N 3.27Å; Y934-N936 PolarHBondContact O-N 2.66Å
937	A	93.3	Very high	95.2	Very high	7 Å²	7	33.8 Å²	33.8	6%	0.058	18%	0.182	C	C	.	.	S	Bend	trans	-78.5	141.7	-172.7	0	0	0	0	0	112.5	V884 E885 L887 Y934	V884-A937 HydrophobicContact CG1-CB 4.06Å; V884-A937 WeakPolarHBondContact O-CB 3.49Å; E885-A937 WeakPolarHBondContact O-CA 3.39Å; L887-A937 HydrophobicContact CB-CB 4.26Å; Y934-A937 WeakPolarHBondContact O-CB 3.22Å; Y934-A937 PolarHBondContact O-N 3.24Å; Y934-A937 VanDerWaalsContact O-N 3.12Å
938	Q	94.3	Very high	95.4	Very high	84 Å²	84	37 Å²	37	39%	0.393	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	131.2	165.8	173.7	179.3	65.9	0	0	109.7	E885 R886 L887 V940	E885-Q938 PolarHBondContact O-N 3.18Å; R886-Q938 WeakPolarHBondContact CA-O 3.48Å; R886-Q938 HydrophobicContact CG-CB 4.21Å; L887-Q938 PolarHBondContact N-O 3.09Å; Q938-V940 HydrophobicContact CG-CG2 4.4Å
939	L	95.8	Very high	95.6	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	130.3	176	-54.2	-174.4	0	0	0	110.5	L887 F889 A931 F963 K967 I969 K970	L887-L939 HydrophobicContact CB-CD2 4.02Å; L887-L939 HydrophobicContact CD2-CD2 3.91Å; L887-L939 HydrophobicContact CG-CD2 4.36Å; F889-L939 HydrophobicContact CE2-CD2 4.36Å; A931-L939 HydrophobicContact CB-CD2 4.13Å; L939-F963 HydrophobicContact CD1-CD2 4.03Å; L939-F963 HydrophobicContact CD1-CE2 3.71Å; L939-F963 HydrophobicContact CD1-CZ 4.19Å; L939-K967 HydrophobicContact CD1-CB 4.2Å; L939-K967 HydrophobicContact CD1-CD 4.32Å; L939-I969 HydrophobicContact CB-CB 4.34Å; L939-I969 HydrophobicContact CB-CG1 4.21Å; L939-K970 PolarHBondContact O-N 3.47Å
940	V	97.1	Very high	95.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133.3	177.3	-177.6	0	0	0	0	109.4	R886 L887 V888 F889 Q938 K970 A972	R886-V940 HydrophobicContact CG-CG2 4.45Å; L887-V940 PolarHBondContact O-N 2.82Å; V888-V940 CarbonylContact C-O 3.49Å; V888-V940 WeakPolarHBondContact CA-O 3.24Å; V888-V940 HydrophobicContact CG2-CB 4.29Å; F889-V940 PolarHBondContact N-O 3.17Å; Q938-V940 HydrophobicContact CG-CG2 4.4Å; V940-K970 CarbonylContact C-O 3.57Å; V940-K970 WeakPolarHBondContact CA-O 3.3Å; V940-K970 HydrophobicContact CG2-CB 4.35Å; V940-A972 HydrophobicContact CG1-CB 3.82Å
941	W	98.1	Very high	96	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.008	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.7	163	178.7	-98.7	0	0	0	108.7	F889 I916 L919 A951 W952 V955 I969 K970 A972	F889-W941 HydrophobicContact CB-CE3 3.72Å; F889-W941 HydrophobicContact CB-CZ3 3.99Å; F889-W941 WeakPolarHBondContact O-CA 3.44Å; I916-W941 HydrophobicContact CD1-CZ3 3.82Å; I916-W941 HydrophobicContact CG1-CZ3 4.28Å; L919-W941 HydrophobicContact CD2-CH2 4.12Å; W941-A951 HydrophobicContact CH2-CB 4.23Å; W941-A951 HydrophobicContact CZ2-CB 3.66Å; W941-W952 HydrophobicContact CB-CE3 3.7Å; W941-W952 HydrophobicContact CB-CZ3 3.61Å; W941-W952 AromaticContact CD1-CE3 3.51Å; W941-W952 AromaticContact CG-CE3 3.72Å; W941-W952 HydrophobicContact CG-CE3 3.72Å; W941-W952 HydrophobicContact CG-CZ3 4.15Å; W941-V955 HydrophobicContact CD2-CG2 3.57Å; W941-V955 HydrophobicContact CE3-CB 4.49Å; W941-V955 HydrophobicContact CE3-CG2 3.71Å; W941-V955 HydrophobicContact CG-CG2 4.12Å; W941-V955 HydrophobicContact CH2-CG1 4.04Å; W941-V955 HydrophobicContact CH2-CG2 4.17Å; W941-V955 HydrophobicContact CZ2-CG1 4.39Å; W941-V955 HydrophobicContact CZ2-CG2 4.06Å; W941-V955 HydrophobicContact CZ3-CB 4.42Å; W941-V955 HydrophobicContact CZ3-CG1 4.25Å; W941-V955 HydrophobicContact CZ3-CG2 4.01Å; W941-I969 HydrophobicContact CB-CD1 3.77Å; W941-I969 HydrophobicContact CB-CG1 4.16Å; W941-K970 PolarHBondContact N-O 2.78Å; W941-A972 PolarHBondContact O-N 3.35Å
942	S	98.5	Very high	96.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.7	176.9	-169.2	0	0	0	0	110.6	F889 C890 L894 A972 T999	F889-S942 PolarHBondContact O-N 3.1Å; C890-S942 WeakPolarHBondContact CA-O 3.35Å; C890-S942 WeakPolarHBondContact CB-O 3.5Å; L894-S942 WeakPolarHBondContact CD2-OG 3.44Å; S942-A972 VanDerWaalsContact CA-O 3.28Å; S942-A972 WeakPolarHBondContact CA-O 3.2Å; S942-T999 WeakPolarHBondContact CB-OG1 3.49Å; S942-T999 PolarHBondContact OG-OG1 3.25Å
943	Q	98.4	Very high	96.4	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	152.1	177.1	73.2	172.5	44	0	0	112	L894 E945 H946 M949 W952 Y971 A972 G973 V995	L894-Q943 VanDerWaalsContact CD2-CA 3.48Å; Q943-E945 WeakPolarHBondContact CB-OE2 3.4Å; Q943-E945 PolarHBondContact NE2-O 2.71Å; Q943-E945 VanDerWaalsContact NE2-O 3.13Å; Q943-H946 PolarHBondContact NE2-O 3.21Å; Q943-H946 VanDerWaalsContact NE2-O 3.14Å; Q943-M949 PolarHBondContact NE2-O 3.42Å; Q943-W952 VanDerWaalsContact OE1-CB 3.27Å; Q943-Y971 HydrophobicContact CG-CE2 3.93Å; Q943-A972 PolarHBondContact N-O 3.24Å; Q943-G973 VanDerWaalsContact O-CA 3.24Å; Q943-G973 WeakPolarHBondContact O-CA 3.41Å; Q943-V995 WeakPolarHBondContact O-CG1 3.47Å
944	E	97.9	Very high	96.6	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.028	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-24.5	177.8	61.4	179.6	-165.8	0	0	111.6	G769 Y770 K893 R974	G769-E944 VanDerWaalsContact CA-OE1 3.29Å; G769-E944 WeakPolarHBondContact CA-OE1 3.32Å; Y770-E944 HydrophobicContact CD2-CG 3.94Å; Y770-E944 HydrophobicContact CG-CB 4.45Å; Y770-E944 HydrophobicContact CG-CG 4.1Å; Y770-E944 PolarHBondContact N-OE1 3.18Å; K893-E944 VanDerWaalsContact CE-OE1 3.3Å; K893-E944 WeakPolarHBondContact CE-OE1 3.28Å; K893-E944 WeakPolarHBondContact CE-OE2 3.41Å; K893-E944 IonicContact NZ-OE1 3.6Å; K893-E944 IonicContact NZ-OE2 2.85Å; K893-E944 PolarHBondContact NZ-OE2 2.88Å; E944-R974 WeakPolarHBondContact O-CD 3.26Å; E944-R974 WeakPolarHBondContact O-CG 3.34Å; E944-R974 PolarHBondContact O-NH1 3.09Å
945	E	98.4	Very high	96.7	Very high	10 Å²	10	28.6 Å²	28.6	5%	0.047	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	155.5	179	-53.7	95.5	128	0	0	112.2	H768 Y770 Q943 M949 G950 Y971	H768-E945 IonicContact CE1-OE1 2.65Å; H768-E945 IonicContact NE2-OE1 3.56Å; H768-E945 PolarHBondContact NE2-OE1 2.92Å; Y770-E945 HydrophobicContact CD2-CG 4.27Å; Y770-E945 HydrophobicContact CE2-CB 4.14Å; Y770-E945 HydrophobicContact CE2-CG 3.52Å; Q943-E945 WeakPolarHBondContact CB-OE2 3.4Å; Q943-E945 PolarHBondContact NE2-O 2.71Å; Q943-E945 VanDerWaalsContact NE2-O 3.13Å; E945-M949 HydrophobicContact CB-CB 4.08Å; E945-G950 WeakPolarHBondContact OE1-CA 3.06Å; E945-Y971 PolarHBondContact O-OH 3.42Å
946	H	98.3	Very high	97	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.028	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	152.5	172.1	-68.3	-79.5	0	0	0	111.6	Q943 N948 M949 R974 P975 S977 P980	Q943-H946 PolarHBondContact NE2-O 3.21Å; Q943-H946 VanDerWaalsContact NE2-O 3.14Å; H946-N948 PolarHBondContact O-N 2.99Å; H946-M949 HydrophobicContact CB-CB 4.35Å; H946-M949 HydrophobicContact CB-CG 4.26Å; H946-M949 HydrophobicContact CB-SD 4Å; H946-M949 CarbonylContact O-C 3.58Å; H946-M949 WeakPolarHBondContact O-CA 3.37Å; H946-M949 WeakPolarHBondContact O-CB 3.29Å; H946-M949 PolarHBondContact O-N 2.91Å; H946-R974 HydrophobicContact CB-CB 4.48Å; H946-P975 WeakPolarHBondContact CB-O 3.47Å; H946-P975 PolarHBondContact ND1-O 3.33Å; H946-S977 WeakPolarHBondContact CE1-CB 3.15Å; H946-S977 VanDerWaalsContact ND1-CB 3.26Å; H946-S977 WeakPolarHBondContact ND1-CB 3.49Å; H946-P980 PolarHBondContact CD2-O 3.09Å
947	K	98.1	Very high	97.3	Very high	83 Å²	83	27 Å²	27	36%	0.361	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-27	-174.8	-173.2	176	-179	179.7	0	114.7	M949 Y971 R974 P976	K947-M949 VanDerWaalsContact C-N 3.33Å; K947-Y971 WeakPolarHBondContact CA-OH 3.49Å; K947-Y971 HydrophobicContact CB-CE1 3.82Å; K947-Y971 HydrophobicContact CB-CE2 4.35Å; K947-Y971 WeakPolarHBondContact CB-OH 3.42Å; K947-Y971 HydrophobicContact CD-CD1 4.11Å; K947-Y971 HydrophobicContact CD-CE1 3.98Å; K947-Y971 HydrophobicContact CG-CD1 4.26Å; K947-Y971 HydrophobicContact CG-CE1 3.84Å; K947-Y971 HydrophobicContact CG-CE2 4.19Å; K947-Y971 PolarHBondContact N-OH 2.9Å; K947-Y971 VanDerWaalsContact N-OH 3.14Å; K947-R974 PolarHBondContact N-O 2.89Å; K947-P976 HydrophobicContact CB-CG 4.02Å; K947-P976 HydrophobicContact CD-CG 4.4Å
948	N	97.8	Very high	97.4	Very high	69 Å²	69	27.4 Å²	27.4	37%	0.369	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	9.6	174.8	64.8	-52.6	0	0	0	113.5	H946 P976 S977	H946-N948 PolarHBondContact O-N 2.99Å; N948-P976 HydrophobicContact CB-CB 4.48Å; N948-P976 VanDerWaalsContact OD1-CA 3.27Å; N948-P976 WeakPolarHBondContact OD1-CA 3.29Å; N948-S977 PolarHBondContact ND2-O 2.89Å; N948-S977 PolarHBondContact OD1-N 3.41Å; N948-S977 PolarHBondContact OD1-O 3.14Å
949	M	98.5	Very high	97.3	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.025	11%	0.108	C	C	.	.	S	Bend	trans	-133.8	179	-178.2	-61.3	175.8	-174	0	0	109.7	E783 Q943 E945 H946 K947 S977	E783-M949 HydrophobicContact CG-CB 4.42Å; E783-M949 WeakPolarHBondContact OE2-CA 3.35Å; Q943-M949 PolarHBondContact NE2-O 3.42Å; E945-M949 HydrophobicContact CB-CB 4.08Å; H946-M949 HydrophobicContact CB-CB 4.35Å; H946-M949 HydrophobicContact CB-CG 4.26Å; H946-M949 HydrophobicContact CB-SD 4Å; H946-M949 CarbonylContact O-C 3.58Å; H946-M949 WeakPolarHBondContact O-CA 3.37Å; H946-M949 WeakPolarHBondContact O-CB 3.29Å; H946-M949 PolarHBondContact O-N 2.91Å; K947-M949 VanDerWaalsContact C-N 3.33Å; M949-S977 WeakPolarHBondContact CE-O 3.35Å
950	G	98.1	Very high	97.2	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.021	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	-155.1	-177.3	0	0	0	0	0	111.6	E783 E945	E783-G950 WeakPolarHBondContact CA-O 3.47Å; E783-G950 VanDerWaalsContact CB-O 3.3Å; E783-G950 WeakPolarHBondContact CB-O 3.47Å; E783-G950 PolarHBondContact OE2-N 3.39Å; E945-G950 WeakPolarHBondContact OE1-CA 3.06Å
951	A	98.3	Very high	96.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.008	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-9.6	-171.9	0	0	0	0	0	114.8	L782 L786 L919 W941 M953 Y954 V955	L782-A951 HydrophobicContact CD2-CB 4.27Å; L786-A951 HydrophobicContact CD1-CB 3.73Å; L919-A951 HydrophobicContact CD1-CB 4.13Å; L919-A951 HydrophobicContact CD2-CB 3.82Å; W941-A951 HydrophobicContact CH2-CB 4.23Å; W941-A951 HydrophobicContact CZ2-CB 3.66Å; A951-M953 PolarHBondContact O-N 2.92Å; A951-Y954 WeakPolarHBondContact O-CA 3.18Å; A951-Y954 WeakPolarHBondContact O-CB 3.43Å; A951-Y954 PolarHBondContact O-N 3.15Å; A951-V955 HydrophobicContact CB-CG1 3.84Å; A951-V955 WeakPolarHBondContact O-CG2 3.34Å; A951-V955 PolarHBondContact O-N 3.44Å
952	W	98.2	Very high	96.5	Very high	14 Å²	14	26.1 Å²	26.1	5%	0.053	13%	0.125	C	C	.	.	H	α-helix	trans	-49.2	-49.7	-170.7	171	-116.5	0	0	0	114.3	W941 Q943 Y954 R956 I969 Y971	W941-W952 HydrophobicContact CB-CE3 3.7Å; W941-W952 HydrophobicContact CB-CZ3 3.61Å; W941-W952 AromaticContact CD1-CE3 3.51Å; W941-W952 AromaticContact CG-CE3 3.72Å; W941-W952 HydrophobicContact CG-CE3 3.72Å; W941-W952 HydrophobicContact CG-CZ3 4.15Å; Q943-W952 VanDerWaalsContact OE1-CB 3.27Å; W952-Y954 PolarHBondContact O-N 3.03Å; W952-R956 HydrophobicContact CD2-CB 4.28Å; W952-R956 HydrophobicContact CE3-CB 4.07Å; W952-R956 HydrophobicContact CH2-CB 4.07Å; W952-R956 HydrophobicContact CH2-CG 3.84Å; W952-R956 HydrophobicContact CZ2-CB 4.23Å; W952-R956 VanDerWaalsContact CZ2-CD 3.45Å; W952-R956 HydrophobicContact CZ2-CG 3.97Å; W952-R956 HydrophobicContact CZ3-CB 3.97Å; W952-R956 HydrophobicContact CZ3-CG 4.22Å; W952-R956 WeakPolarHBondContact O-CB 3.43Å; W952-R956 PolarHBondContact O-N 3.08Å; W952-R956 VanDerWaalsContact O-N 3.07Å; W952-I969 HydrophobicContact CH2-CG2 4.01Å; W952-I969 HydrophobicContact CZ3-CG1 4.34Å; W952-I969 HydrophobicContact CZ3-CG2 4.03Å; W952-Y971 HydrophobicContact CB-CD2 4.12Å; W952-Y971 HydrophobicContact CB-CE2 3.94Å; W952-Y971 AromaticContact CD1-CD2 3.93Å; W952-Y971 AromaticContact CD2-CD2 3.42Å; W952-Y971 HydrophobicContact CD2-CD2 3.42Å; W952-Y971 VanDerWaalsContact CD2-CD2 3.42Å; W952-Y971 HydrophobicContact CD2-CE2 4.15Å; W952-Y971 HydrophobicContact CD2-CG 4.21Å; W952-Y971 AromaticContact CE2-CD2 3.73Å; W952-Y971 AromaticContact CE3-CD2 3.84Å; W952-Y971 HydrophobicContact CE3-CD2 3.84Å; W952-Y971 AromaticContact CG-CD2 3.55Å; W952-Y971 HydrophobicContact CG-CD2 3.55Å; W952-Y971 AromaticContact CG-CE2 3.77Å; W952-Y971 HydrophobicContact CG-CE2 3.77Å; W952-Y971 HydrophobicContact CZ2-CD2 4.33Å; W952-Y971 HydrophobicContact CZ2-CG 4.33Å; W952-Y971 HydrophobicContact CZ3-CD2 4.43Å
953	M	97.1	Very high	96	Very high	115 Å²	115	26.8 Å²	26.8	57%	0.567	13%	0.127	S	C	*	.	H	α-helix	trans	-68.6	-22.9	-177.8	-65.9	-59.6	-167.6	0	0	113.1	A951 P957	A951-M953 PolarHBondContact O-N 2.92Å; M953-P957 WeakPolarHBondContact O-CD 3.28Å
954	Y	97.8	Very high	95.3	Very high	15 Å²	15	35.5 Å²	35.5	6%	0.059	17%	0.165	C	C	.	.	H	α-helix	trans	-86	-47.7	176.8	-178.4	-86.5	0	0	0	112	L786 C789 D791 L919 S920 F922 A951 W952 P957 R958	L786-Y954 HydrophobicContact CB-CD2 3.59Å; L786-Y954 HydrophobicContact CB-CE2 4.12Å; L786-Y954 HydrophobicContact CB-CG 3.88Å; L786-Y954 HydrophobicContact CD1-CD1 4.33Å; L786-Y954 HydrophobicContact CD1-CG 4.02Å; L786-Y954 HydrophobicContact CD2-CD1 4.1Å; L786-Y954 HydrophobicContact CD2-CD2 4.17Å; L786-Y954 HydrophobicContact CD2-CE1 4.14Å; L786-Y954 HydrophobicContact CD2-CE2 4.13Å; L786-Y954 HydrophobicContact CD2-CG 4.11Å; L786-Y954 HydrophobicContact CG-CD2 4.31Å; L786-Y954 HydrophobicContact CG-CG 4.22Å; L786-Y954 WeakPolarHBondContact O-CD2 3.5Å; L786-Y954 WeakPolarHBondContact O-CE2 3.44Å; C789-Y954 HydrophobicContact CB-CE2 4.32Å; D791-Y954 WeakPolarHBondContact CB-OH 3.5Å; D791-Y954 VanDerWaalsContact CG-OH 3.29Å; D791-Y954 PolarHBondContact OD2-OH 3.29Å; L919-Y954 VanDerWaalsContact O-CE1 3.22Å; L919-Y954 WeakPolarHBondContact O-CE1 3.29Å; S920-Y954 WeakPolarHBondContact CB-OH 3.17Å; S920-Y954 PolarHBondContact OG-OH 3.06Å; F922-Y954 HydrophobicContact CB-CE1 4.33Å; F922-Y954 HydrophobicContact CD2-CE1 4.46Å; A951-Y954 WeakPolarHBondContact O-CA 3.18Å; A951-Y954 WeakPolarHBondContact O-CB 3.43Å; A951-Y954 PolarHBondContact O-N 3.15Å; W952-Y954 PolarHBondContact O-N 3.03Å; Y954-P957 WeakPolarHBondContact O-CD 3.39Å; Y954-R958 VanDerWaalsContact CE1-CD 3.48Å; Y954-R958 VanDerWaalsContact CE2-CZ 3.46Å; Y954-R958 VanDerWaalsContact CZ-NE 3.27Å; Y954-R958 WeakPolarHBondContact O-CD 3.28Å; Y954-R958 WeakPolarHBondContact O-CG 3.33Å; Y954-R958 PolarHBondContact O-NH1 3.27Å
955	V	97	Very high	94.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-77	-32.3	-173.5	-58.5	0	0	0	0	112.7	L919 F922 W941 A951 R958 I959	L919-V955 HydrophobicContact CD2-CG1 4.11Å; F922-V955 HydrophobicContact CD2-CG1 4.36Å; F922-V955 HydrophobicContact CE2-CB 4.07Å; F922-V955 HydrophobicContact CE2-CG1 3.98Å; W941-V955 HydrophobicContact CD2-CG2 3.57Å; W941-V955 HydrophobicContact CE3-CB 4.49Å; W941-V955 HydrophobicContact CE3-CG2 3.71Å; W941-V955 HydrophobicContact CG-CG2 4.12Å; W941-V955 HydrophobicContact CH2-CG1 4.04Å; W941-V955 HydrophobicContact CH2-CG2 4.17Å; W941-V955 HydrophobicContact CZ2-CG1 4.39Å; W941-V955 HydrophobicContact CZ2-CG2 4.06Å; W941-V955 HydrophobicContact CZ3-CB 4.42Å; W941-V955 HydrophobicContact CZ3-CG1 4.25Å; W941-V955 HydrophobicContact CZ3-CG2 4.01Å; A951-V955 HydrophobicContact CB-CG1 3.84Å; A951-V955 WeakPolarHBondContact O-CG2 3.34Å; A951-V955 PolarHBondContact O-N 3.44Å; V955-R958 PolarHBondContact O-N 2.77Å; V955-I959 HydrophobicContact CB-CD1 4.17Å; V955-I959 HydrophobicContact CG2-CD1 4.32Å; V955-I959 WeakPolarHBondContact O-CB 3.18Å; V955-I959 VanDerWaalsContact O-CG1 3.26Å; V955-I959 WeakPolarHBondContact O-CG1 3.38Å; V955-I959 PolarHBondContact O-N 2.68Å
956	R	96.2	Very high	93.8	Very high	119 Å²	119	45 Å²	45	45%	0.449	22%	0.222	S	C	.	.	H	α-helix	trans	-54.1	-57.9	-177.9	177.6	-167.8	179.1	-105.6	-3.1	112.7	W952 R958 I959 L960 I969	W952-R956 HydrophobicContact CD2-CB 4.28Å; W952-R956 HydrophobicContact CE3-CB 4.07Å; W952-R956 HydrophobicContact CH2-CB 4.07Å; W952-R956 HydrophobicContact CH2-CG 3.84Å; W952-R956 HydrophobicContact CZ2-CB 4.23Å; W952-R956 VanDerWaalsContact CZ2-CD 3.45Å; W952-R956 HydrophobicContact CZ2-CG 3.97Å; W952-R956 HydrophobicContact CZ3-CB 3.97Å; W952-R956 HydrophobicContact CZ3-CG 4.22Å; W952-R956 WeakPolarHBondContact O-CB 3.43Å; W952-R956 PolarHBondContact O-N 3.08Å; W952-R956 VanDerWaalsContact O-N 3.07Å; R956-R958 VanDerWaalsContact C-N 3.3Å; R956-R958 PolarHBondContact O-N 2.76Å; R956-I959 PolarHBondContact O-N 3.39Å; R956-L960 HydrophobicContact CG-CD1 4.32Å; R956-L960 VanDerWaalsContact O-CG 3.31Å; R956-L960 WeakPolarHBondContact O-CG 3.31Å; R956-L960 PolarHBondContact O-N 3.41Å; R956-L960 VanDerWaalsContact O-N 3.09Å; R956-I969 HydrophobicContact CG-CG2 4.13Å
957	P	95.6	Very high	93.1	Very high	21 Å²	21	47.5 Å²	47.5	14%	0.136	23%	0.232	C	C	.	.	H	α-helix	trans	-61.7	-39.2	-179.2	23.5	-33.2	0	0	0	112	E793 M953 Y954 I959 L960 T961	E793-P957 HydrophobicContact CB-CB 4.06Å; E793-P957 HydrophobicContact CB-CG 4.28Å; E793-P957 VanDerWaalsContact CD-CB 3.45Å; E793-P957 HydrophobicContact CG-CB 4.16Å; E793-P957 WeakPolarHBondContact OE1-CB 3.39Å; E793-P957 WeakPolarHBondContact OE2-CB 3.37Å; E793-P957 WeakPolarHBondContact OE2-CG 3.16Å; M953-P957 WeakPolarHBondContact O-CD 3.28Å; Y954-P957 WeakPolarHBondContact O-CD 3.39Å; P957-I959 PolarHBondContact O-N 3.03Å; P957-L960 WeakPolarHBondContact O-CB 3.39Å; P957-L960 PolarHBondContact O-N 3.16Å; P957-L960 VanDerWaalsContact O-N 3.16Å; P957-T961 PolarHBondContact O-N 2.8Å; P957-T961 PolarHBondContact O-OG1 3.12Å
958	R	95.2	Very high	92.7	Very high	15 Å²	15	46.1 Å²	46.1	6%	0.057	24%	0.242	C	C	.	.	H	α-helix	trans	-66.8	-38.3	-179.6	-60.8	177.3	174.9	53.7	5.1	113.1	D791 E793 F922 Y924 Y954 V955 R956 T961 A962	D791-R958 PolarHBondContact O-NH2 2.98Å; D791-R958 IonicContact OD2-NE 3.46Å; D791-R958 PolarHBondContact OD2-NE 3.29Å; E793-R958 HydrophobicContact CB-CG 3.87Å; E793-R958 IonicContact OE2-NH1 3.73Å; E793-R958 PolarHBondContact OE2-NH1 3.36Å; F922-R958 HydrophobicContact CB-CB 4.46Å; F922-R958 HydrophobicContact CD1-CB 3.65Å; F922-R958 HydrophobicContact CD2-CB 4.29Å; F922-R958 HydrophobicContact CE1-CB 3.89Å; F922-R958 HydrophobicContact CG-CB 3.87Å; F922-R958 HydrophobicContact CG-CG 4.45Å; F922-R958 HydrophobicContact CZ-CB 4.32Å; Y924-R958 HydrophobicContact CE1-CB 3.84Å; Y924-R958 HydrophobicContact CE1-CG 4.46Å; Y924-R958 WeakPolarHBondContact CE1-O 3.47Å; Y924-R958 WeakPolarHBondContact OH-CG 3.4Å; Y954-R958 VanDerWaalsContact CE1-CD 3.48Å; Y954-R958 VanDerWaalsContact CE2-CZ 3.46Å; Y954-R958 VanDerWaalsContact CZ-NE 3.27Å; Y954-R958 WeakPolarHBondContact O-CD 3.28Å; Y954-R958 WeakPolarHBondContact O-CG 3.33Å; Y954-R958 PolarHBondContact O-NH1 3.27Å; V955-R958 PolarHBondContact O-N 2.77Å; R956-R958 VanDerWaalsContact C-N 3.3Å; R956-R958 PolarHBondContact O-N 2.76Å; R958-T961 PolarHBondContact O-N 3.46Å; R958-A962 PolarHBondContact O-N 2.74Å
959	I	93.5	Very high	92.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-45.9	172	-72.3	172.5	0	0	0	110	F922 V927 V955 R956 P957 T961 A962 F963 I969	F922-I959 HydrophobicContact CE1-CG1 4.29Å; F922-I959 HydrophobicContact CE2-CG1 4.36Å; F922-I959 HydrophobicContact CZ-CD1 4.34Å; F922-I959 HydrophobicContact CZ-CG1 3.56Å; V927-I959 HydrophobicContact CG1-CG1 4.29Å; V955-I959 HydrophobicContact CB-CD1 4.17Å; V955-I959 HydrophobicContact CG2-CD1 4.32Å; V955-I959 WeakPolarHBondContact O-CB 3.18Å; V955-I959 VanDerWaalsContact O-CG1 3.26Å; V955-I959 WeakPolarHBondContact O-CG1 3.38Å; V955-I959 PolarHBondContact O-N 2.68Å; R956-I959 PolarHBondContact O-N 3.39Å; P957-I959 PolarHBondContact O-N 3.03Å; I959-T961 VanDerWaalsContact C-N 3.28Å; I959-T961 PolarHBondContact O-N 3.47Å; I959-A962 WeakPolarHBondContact O-CB 3.42Å; I959-A962 PolarHBondContact O-N 3Å; I959-F963 HydrophobicContact CG2-CD2 4.03Å; I959-F963 HydrophobicContact CG2-CE2 3.97Å; I959-F963 WeakPolarHBondContact O-CD2 3.3Å; I959-F963 PolarHBondContact O-N 3.19Å; I959-I969 HydrophobicContact CD1-CD1 3.43Å; I959-I969 VanDerWaalsContact CD1-CD1 3.43Å; I959-I969 HydrophobicContact CG2-CB 4.27Å; I959-I969 HydrophobicContact CG2-CD1 4Å; I959-I969 HydrophobicContact CG2-CG2 4.28Å
960	L	93	Very high	92.4	Very high	26 Å²	26	46.8 Å²	46.8	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-41.4	177	-66	173.1	0	0	0	111.3	R956 P957 F963 K964 M965 K967	R956-L960 HydrophobicContact CG-CD1 4.32Å; R956-L960 VanDerWaalsContact O-CG 3.31Å; R956-L960 WeakPolarHBondContact O-CG 3.31Å; R956-L960 PolarHBondContact O-N 3.41Å; R956-L960 VanDerWaalsContact O-N 3.09Å; P957-L960 WeakPolarHBondContact O-CB 3.39Å; P957-L960 PolarHBondContact O-N 3.16Å; P957-L960 VanDerWaalsContact O-N 3.16Å; L960-F963 CarbonylContact O-C 3.51Å; L960-F963 PolarHBondContact O-N 2.94Å; L960-K964 PolarHBondContact O-N 2.82Å; L960-K964 VanDerWaalsContact O-N 3.11Å; L960-M965 HydrophobicContact CB-CE 3.48Å; L960-M965 VanDerWaalsContact CB-CE 3.48Å; L960-M965 HydrophobicContact CB-SD 3.62Å; L960-M965 HydrophobicContact CD1-SD 4.41Å; L960-M965 HydrophobicContact CG-SD 4.47Å; L960-M965 WeakPolarHBondContact O-CE 3.1Å; L960-M965 PolarHBondContact O-N 3.29Å; L960-K967 WeakPolarHBondContact CD2-O 3.48Å
961	T	91.8	Very high	92.3	Very high	28 Å²	28	48.7 Å²	48.7	17%	0.172	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-44.6	174.8	-61.8	0	0	0	0	112	E793 Y924 P957 R958 I959 F963 K964	E793-T961 VanDerWaalsContact O-CB 3.3Å; E793-T961 WeakPolarHBondContact O-CB 3.39Å; E793-T961 WeakPolarHBondContact O-CG2 3.45Å; E793-T961 PolarHBondContact O-OG1 2.98Å; Y924-T961 HydrophobicContact CE1-CG2 4.32Å; P957-T961 PolarHBondContact O-N 2.8Å; P957-T961 PolarHBondContact O-OG1 3.12Å; R958-T961 PolarHBondContact O-N 3.46Å; I959-T961 VanDerWaalsContact C-N 3.28Å; I959-T961 PolarHBondContact O-N 3.47Å; T961-F963 PolarHBondContact O-N 2.9Å; T961-F963 VanDerWaalsContact O-N 3.16Å; T961-K964 PolarHBondContact O-N 2.91Å
962	A	89.2	Confident	92.3	Very high	10 Å²	10	48.7 Å²	48.7	8%	0.083	25%	0.249	C	C	.	.	H	α-helix	trans	-55.2	-35.1	176.3	0	0	0	0	0	112.2	Y924 Y928 R958 I959	Y924-A962 HydrophobicContact CD1-CB 4.03Å; Y928-A962 VanDerWaalsContact CD2-O 3.31Å; Y928-A962 WeakPolarHBondContact CD2-O 3.36Å; R958-A962 PolarHBondContact O-N 2.74Å; I959-A962 WeakPolarHBondContact O-CB 3.42Å; I959-A962 PolarHBondContact O-N 3Å
963	F	87.3	Confident	92.2	Very high	13 Å²	13	48.4 Å²	48.4	6%	0.057	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	9.9	176.7	-64.2	-70.6	0	0	0	114.5	Y928 A931 L939 I959 L960 T961 M965 S966 K967	Y928-F963 AromaticContact CD2-CD1 3.98Å; Y928-F963 HydrophobicContact CD2-CD1 3.98Å; Y928-F963 AromaticContact CD2-CE1 3.71Å; Y928-F963 HydrophobicContact CD2-CE1 3.71Å; Y928-F963 HydrophobicContact CD2-CZ 4.36Å; Y928-F963 HydrophobicContact CE2-CD1 4.15Å; Y928-F963 HydrophobicContact CE2-CE1 4.14Å; A931-F963 HydrophobicContact CB-CE1 3.65Å; A931-F963 HydrophobicContact CB-CE2 4.19Å; A931-F963 HydrophobicContact CB-CZ 3.19Å; L939-F963 HydrophobicContact CD1-CD2 4.03Å; L939-F963 HydrophobicContact CD1-CE2 3.71Å; L939-F963 HydrophobicContact CD1-CZ 4.19Å; I959-F963 HydrophobicContact CG2-CD2 4.03Å; I959-F963 HydrophobicContact CG2-CE2 3.97Å; I959-F963 WeakPolarHBondContact O-CD2 3.3Å; I959-F963 PolarHBondContact O-N 3.19Å; L960-F963 CarbonylContact O-C 3.51Å; L960-F963 PolarHBondContact O-N 2.94Å; T961-F963 PolarHBondContact O-N 2.9Å; T961-F963 VanDerWaalsContact O-N 3.16Å; F963-M965 PolarHBondContact O-N 2.98Å; F963-M965 VanDerWaalsContact O-N 3.17Å; F963-S966 VanDerWaalsContact O-CB 3.29Å; F963-S966 WeakPolarHBondContact O-CB 3.3Å; F963-S966 PolarHBondContact O-N 2.85Å; F963-S966 PolarHBondContact O-OG 2.91Å; F963-K967 HydrophobicContact CB-CB 4.18Å; F963-K967 HydrophobicContact CD1-CD 4.44Å; F963-K967 HydrophobicContact CG-CB 4.14Å
964	K	85.1	Confident	92.2	Very high	187 Å²	187	43 Å²	43	81%	0.813	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	41.5	-175.7	-55.6	-178.9	-179.1	-179.6	0	112.4	L960 T961 S966	L960-K964 PolarHBondContact O-N 2.82Å; L960-K964 VanDerWaalsContact O-N 3.11Å; T961-K964 PolarHBondContact O-N 2.91Å; K964-S966 PolarHBondContact O-N 2.88Å
965	M	80.7	Confident	92.2	Very high	120 Å²	120	46 Å²	46	59%	0.591	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	6	-176.7	-50.7	-65.2	132.5	0	0	115.8	L960 F963 K967	L960-M965 HydrophobicContact CB-CE 3.48Å; L960-M965 VanDerWaalsContact CB-CE 3.48Å; L960-M965 HydrophobicContact CB-SD 3.62Å; L960-M965 HydrophobicContact CD1-SD 4.41Å; L960-M965 HydrophobicContact CG-SD 4.47Å; L960-M965 WeakPolarHBondContact O-CE 3.1Å; L960-M965 PolarHBondContact O-N 3.29Å; F963-M965 PolarHBondContact O-N 2.98Å; F963-M965 VanDerWaalsContact O-N 3.17Å; M965-K967 PolarHBondContact O-N 2.98Å
966	S	83.3	Confident	92.2	Very high	97 Å²	97	50.1 Å²	50.1	68%	0.678	27%	0.272	S	S	*	.	S	Bend	trans	-76.1	-21.4	-175.9	66.7	0	0	0	0	114.2	F963 K964	F963-S966 VanDerWaalsContact O-CB 3.29Å; F963-S966 WeakPolarHBondContact O-CB 3.3Å; F963-S966 PolarHBondContact O-N 2.85Å; F963-S966 PolarHBondContact O-OG 2.91Å; K964-S966 PolarHBondContact O-N 2.88Å
967	K	83.6	Confident	92.2	Very high	57 Å²	57	46.1 Å²	46.1	25%	0.248	26%	0.262	C	S	.	.	S	Bend	trans	-129.3	128.7	176	-76.1	-170.2	172.2	-169.6	0	110.4	A935 L939 L960 F963 M965	A935-K967 PolarHBondContact O-NZ 2.73Å; L939-K967 HydrophobicContact CD1-CB 4.2Å; L939-K967 HydrophobicContact CD1-CD 4.32Å; L960-K967 WeakPolarHBondContact CD2-O 3.48Å; F963-K967 HydrophobicContact CB-CB 4.18Å; F963-K967 HydrophobicContact CD1-CD 4.44Å; F963-K967 HydrophobicContact CG-CB 4.14Å; M965-K967 PolarHBondContact O-N 2.98Å
968	G	88.5	Confident	92.3	Very high	55 Å²	55	50 Å²	50	57%	0.567	30%	0.296	S	S	*	.			trans	-79.4	165.5	170.6	0	0	0	0	0	112.5
969	I	94.6	Very high	92.4	Very high	21 Å²	21	51.3 Å²	51.3	11%	0.108	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.3	173.4	-174.6	161.4	0	0	0	110.8	L939 W941 W952 R956 I959	L939-I969 HydrophobicContact CB-CB 4.34Å; L939-I969 HydrophobicContact CB-CG1 4.21Å; W941-I969 HydrophobicContact CB-CD1 3.77Å; W941-I969 HydrophobicContact CB-CG1 4.16Å; W952-I969 HydrophobicContact CH2-CG2 4.01Å; W952-I969 HydrophobicContact CZ3-CG1 4.34Å; W952-I969 HydrophobicContact CZ3-CG2 4.03Å; R956-I969 HydrophobicContact CG-CG2 4.13Å; I959-I969 HydrophobicContact CD1-CD1 3.43Å; I959-I969 VanDerWaalsContact CD1-CD1 3.43Å; I959-I969 HydrophobicContact CG2-CB 4.27Å; I959-I969 HydrophobicContact CG2-CD1 4Å; I959-I969 HydrophobicContact CG2-CG2 4.28Å
970	K	95.4	Very high	92.6	Very high	67 Å²	67	51.5 Å²	51.5	29%	0.291	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	139.9	177.3	-172.8	174	-178.9	176.3	0	109.8	L939 V940 W941 E1003	L939-K970 PolarHBondContact O-N 3.47Å; V940-K970 CarbonylContact C-O 3.57Å; V940-K970 WeakPolarHBondContact CA-O 3.3Å; V940-K970 HydrophobicContact CG2-CB 4.35Å; W941-K970 PolarHBondContact N-O 2.78Å; K970-E1003 IonicContact NZ-OE1 3.57Å; K970-E1003 PolarHBondContact NZ-OE1 3.34Å
971	Y	97.1	Very high	92.8	Very high	42 Å²	42	50.5 Å²	50.5	17%	0.165	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.2	173.9	174.9	-103.9	0	0	0	110.6	Q943 E945 K947 W952 G973 R974	Q943-Y971 HydrophobicContact CG-CE2 3.93Å; E945-Y971 PolarHBondContact O-OH 3.42Å; K947-Y971 WeakPolarHBondContact CA-OH 3.49Å; K947-Y971 HydrophobicContact CB-CE1 3.82Å; K947-Y971 HydrophobicContact CB-CE2 4.35Å; K947-Y971 WeakPolarHBondContact CB-OH 3.42Å; K947-Y971 HydrophobicContact CD-CD1 4.11Å; K947-Y971 HydrophobicContact CD-CE1 3.98Å; K947-Y971 HydrophobicContact CG-CD1 4.26Å; K947-Y971 HydrophobicContact CG-CE1 3.84Å; K947-Y971 HydrophobicContact CG-CE2 4.19Å; K947-Y971 PolarHBondContact N-OH 2.9Å; K947-Y971 VanDerWaalsContact N-OH 3.14Å; W952-Y971 HydrophobicContact CB-CD2 4.12Å; W952-Y971 HydrophobicContact CB-CE2 3.94Å; W952-Y971 AromaticContact CD1-CD2 3.93Å; W952-Y971 AromaticContact CD2-CD2 3.42Å; W952-Y971 HydrophobicContact CD2-CD2 3.42Å; W952-Y971 VanDerWaalsContact CD2-CD2 3.42Å; W952-Y971 HydrophobicContact CD2-CE2 4.15Å; W952-Y971 HydrophobicContact CD2-CG 4.21Å; W952-Y971 AromaticContact CE2-CD2 3.73Å; W952-Y971 AromaticContact CE3-CD2 3.84Å; W952-Y971 HydrophobicContact CE3-CD2 3.84Å; W952-Y971 AromaticContact CG-CD2 3.55Å; W952-Y971 HydrophobicContact CG-CD2 3.55Å; W952-Y971 AromaticContact CG-CE2 3.77Å; W952-Y971 HydrophobicContact CG-CE2 3.77Å; W952-Y971 HydrophobicContact CZ2-CD2 4.33Å; W952-Y971 HydrophobicContact CZ2-CG 4.33Å; W952-Y971 HydrophobicContact CZ3-CD2 4.43Å; Y971-G973 VanDerWaalsContact CZ-CA 3.46Å; Y971-G973 VanDerWaalsContact OH-CA 3.31Å; Y971-G973 WeakPolarHBondContact OH-CA 3.49Å; Y971-R974 PolarHBondContact OH-N 3.13Å; Y971-R974 PolarHBondContact OH-O 3.16Å
972	A	97.3	Very high	93.1	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.008	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	106.6	167.4	0	0	0	0	0	109.3	V940 W941 S942 Q943 D998 T999	V940-A972 HydrophobicContact CG1-CB 3.82Å; W941-A972 PolarHBondContact O-N 3.35Å; S942-A972 VanDerWaalsContact CA-O 3.28Å; S942-A972 WeakPolarHBondContact CA-O 3.2Å; Q943-A972 PolarHBondContact N-O 3.24Å; A972-D998 HydrophobicContact CB-CB 4.18Å; A972-T999 WeakPolarHBondContact CB-OG1 3.23Å
973	G	96.9	Very high	93.4	Very high	8 Å²	8	53.4 Å²	53.4	8%	0.082	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	-179.4	-176.2	0	0	0	0	0	112.4	Q943 Y971	Q943-G973 VanDerWaalsContact O-CA 3.24Å; Q943-G973 WeakPolarHBondContact O-CA 3.41Å; Y971-G973 VanDerWaalsContact CZ-CA 3.46Å; Y971-G973 VanDerWaalsContact OH-CA 3.31Å; Y971-G973 WeakPolarHBondContact OH-CA 3.49Å
974	R	98	Very high	93.9	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.008	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	148.2	-179.1	-74.2	-176.4	169.3	78.5	9.2	111.2	E944 H946 K947 Y971 H988 E991 V995	E944-R974 WeakPolarHBondContact O-CD 3.26Å; E944-R974 WeakPolarHBondContact O-CG 3.34Å; E944-R974 PolarHBondContact O-NH1 3.09Å; H946-R974 HydrophobicContact CB-CB 4.48Å; K947-R974 PolarHBondContact N-O 2.89Å; Y971-R974 PolarHBondContact OH-N 3.13Å; Y971-R974 PolarHBondContact OH-O 3.16Å; R974-H988 PolarHBondContact NH2-CE1 3.45Å; R974-H988 PolarHBondContact NH2-ND1 2.62Å; R974-H988 PolarHBondContact NH2-O 2.73Å; R974-E991 WeakPolarHBondContact CD-OE2 3.44Å; R974-E991 HydrophobicContact CG-CB 4.14Å; R974-E991 IonicContact NE-OE2 3.77Å; R974-E991 PolarHBondContact NE-OE2 3.39Å; R974-V995 HydrophobicContact CG-CG2 4.08Å
975	P	96.7	Very high	94.3	Very high	76 Å²	76	55.3 Å²	55.3	49%	0.494	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-61.7	162.7	172.3	28.4	-35.3	0	0	0	110.7	H946	H946-P975 WeakPolarHBondContact CB-O 3.47Å; H946-P975 PolarHBondContact ND1-O 3.33Å
976	P	97.6	Very high	95.1	Very high	88 Å²	88	57.2 Å²	57.2	57%	0.571	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-55.1	145.7	176	-20.6	29.1	0	0	0	113	K947 N948	K947-P976 HydrophobicContact CB-CG 4.02Å; K947-P976 HydrophobicContact CD-CG 4.4Å; N948-P976 HydrophobicContact CB-CB 4.48Å; N948-P976 VanDerWaalsContact OD1-CA 3.27Å; N948-P976 WeakPolarHBondContact OD1-CA 3.29Å
977	S	96.9	Very high	95.7	Very high	35 Å²	35	54.9 Å²	54.9	25%	0.245	33%	0.33	C	S	.	.			trans	-143.7	153.3	177.3	177.3	0	0	0	0	111.8	H946 N948 M949 A979	H946-S977 WeakPolarHBondContact CE1-CB 3.15Å; H946-S977 VanDerWaalsContact ND1-CB 3.26Å; H946-S977 WeakPolarHBondContact ND1-CB 3.49Å; N948-S977 PolarHBondContact ND2-O 2.89Å; N948-S977 PolarHBondContact OD1-N 3.41Å; N948-S977 PolarHBondContact OD1-O 3.14Å; M949-S977 WeakPolarHBondContact CE-O 3.35Å; S977-A979 WeakPolarHBondContact CB-O 3.16Å; S977-A979 PolarHBondContact OG-N 2.67Å; S977-A979 VanDerWaalsContact OG-N 3.15Å; S977-A979 PolarHBondContact OG-O 2.9Å
978	A	96.7	Very high	96.4	Very high	103 Å²	103	53.1 Å²	53.1	85%	0.851	32%	0.322	S	S	*	.	S	Bend	trans	-81.6	-30.8	171.7	0	0	0	0	0	112.5
979	A	97.4	Very high	96.8	Very high	41 Å²	41	55 Å²	55	34%	0.339	32%	0.318	S	S	.	.	S	Bend	trans	-100.3	149.2	177.1	0	0	0	0	0	110.7	P775 S977 A981	P775-A979 HydrophobicContact CB-CB 4.26Å; S977-A979 WeakPolarHBondContact CB-O 3.16Å; S977-A979 PolarHBondContact OG-N 2.67Å; S977-A979 VanDerWaalsContact OG-N 3.15Å; S977-A979 PolarHBondContact OG-O 2.9Å; A979-A981 VanDerWaalsContact C-N 3.28Å; A979-A981 PolarHBondContact O-N 3.33Å
980	P	97.8	Very high	97	Very high	4 Å²	4	60.8 Å²	60.8	3%	0.026	34%	0.338	C	S	.	.	S	Bend	trans	-60.6	-32	-177.8	-24.7	34.3	0	0	0	114.9	Y770 P775 H946	Y770-P980 WeakPolarHBondContact CE1-O 3.42Å; Y770-P980 PolarHBondContact OH-O 3.17Å; P775-P980 WeakPolarHBondContact O-CB 3.45Å; P775-P980 VanDerWaalsContact O-CG 3.32Å; P775-P980 WeakPolarHBondContact O-CG 3.31Å; H946-P980 PolarHBondContact CD2-O 3.09Å
981	A	98	Very high	97.1	Very high	5 Å²	5	58.6 Å²	58.6	4%	0.041	33%	0.329	C	S	.	.	S	Bend	trans	-154.1	161.9	175.1	0	0	0	0	0	110.9	Y770 P775 S778 A979	Y770-A981 HydrophobicContact CD1-CB 4.16Å; Y770-A981 HydrophobicContact CE1-CB 4.12Å; P775-A981 WeakPolarHBondContact CB-O 3.35Å; S778-A981 WeakPolarHBondContact OG-CB 3.21Å; A979-A981 VanDerWaalsContact C-N 3.28Å; A979-A981 PolarHBondContact O-N 3.33Å
982	T	96.8	Very high	97.1	Very high	31 Å²	31	57.3 Å²	57.3	19%	0.19	32%	0.324	C	S	.	.			trans	-69.6	138	170.3	-178.2	0	0	0	0	111.5	N984 Q987 H988	T982-N984 VanDerWaalsContact C-N 3.25Å; T982-N984 PolarHBondContact OG1-N 2.91Å; T982-N984 VanDerWaalsContact OG1-N 3.17Å; T982-Q987 HydrophobicContact CG2-CB 4.07Å; T982-Q987 HydrophobicContact CG2-CG 3.97Å; T982-H988 HydrophobicContact CG2-CB 3.66Å
983	G	96.1	Very high	97	Very high	69 Å²	69	60.8 Å²	60.8	71%	0.711	35%	0.349	S	S	*	.	S	Bend	trans	-77.7	-7.5	170.2	0	0	0	0	0	113.8
984	N	96.5	Very high	97	Very high	90 Å²	90	66 Å²	66	48%	0.481	37%	0.369	S	S	.	.			trans	-98.9	118	-179.3	-177.3	-66	0	0	0	111.2	T982 Y986 Q987 H988	T982-N984 VanDerWaalsContact C-N 3.25Å; T982-N984 PolarHBondContact OG1-N 2.91Å; T982-N984 VanDerWaalsContact OG1-N 3.17Å; N984-Y986 PolarHBondContact O-N 3.15Å; N984-Y986 WeakPolarHBondContact OD1-CA 3.44Å; N984-Y986 WeakPolarHBondContact OD1-CB 3.11Å; N984-Y986 PolarHBondContact OD1-N 3.36Å; N984-Q987 HydrophobicContact CB-CB 4.04Å; N984-Q987 PolarHBondContact O-N 3.45Å; N984-Q987 PolarHBondContact OD1-N 2.7Å; N984-H988 PolarHBondContact O-N 3.07Å
985	K	94.9	Very high	97	Very high	149 Å²	149	65.9 Å²	65.9	65%	0.648	37%	0.369	S	S	*	.	H	α-helix	trans	-60.3	-38.1	-177.2	-170.8	172.3	-176.7	174.3	0	114	H988 M989	K985-H988 PolarHBondContact O-N 2.94Å; K985-M989 WeakPolarHBondContact O-CG 3.15Å; K985-M989 PolarHBondContact O-N 3.36Å
986	Y	96.8	Very high	97	Very high	161 Å²	161	63 Å²	63	63%	0.631	35%	0.349	S	S	*	.	H	α-helix	trans	-65.3	-45.9	177.5	175.3	-95.3	0	0	0	111.1	N984 H988 M989 R990	N984-Y986 PolarHBondContact O-N 3.15Å; N984-Y986 WeakPolarHBondContact OD1-CA 3.44Å; N984-Y986 WeakPolarHBondContact OD1-CB 3.11Å; N984-Y986 PolarHBondContact OD1-N 3.36Å; Y986-H988 VanDerWaalsContact C-N 3.31Å; Y986-H988 PolarHBondContact O-N 3.26Å; Y986-M989 PolarHBondContact O-N 3.22Å; Y986-R990 WeakPolarHBondContact O-CB 3.44Å; Y986-R990 PolarHBondContact O-N 2.89Å
987	Q	96.7	Very high	96.9	Very high	48 Å²	48	60 Å²	60	22%	0.224	33%	0.33	C	S	.	.	H	α-helix	trans	-60.1	-42.6	174.9	-178.2	63.1	25	0	0	111.2	T982 N984 M989 R990 E991	T982-Q987 HydrophobicContact CG2-CB 4.07Å; T982-Q987 HydrophobicContact CG2-CG 3.97Å; N984-Q987 HydrophobicContact CB-CB 4.04Å; N984-Q987 PolarHBondContact O-N 3.45Å; N984-Q987 PolarHBondContact OD1-N 2.7Å; Q987-M989 PolarHBondContact O-N 3.08Å; Q987-R990 PolarHBondContact O-N 3.17Å; Q987-R990 VanDerWaalsContact OE1-NH1 3.1Å; Q987-E991 WeakPolarHBondContact CG-OE1 3.38Å; Q987-E991 PolarHBondContact NE2-OE1 3.34Å; Q987-E991 WeakPolarHBondContact O-CB 3.35Å; Q987-E991 WeakPolarHBondContact O-CG 3.35Å; Q987-E991 PolarHBondContact O-N 2.89Å
988	H	97.6	Very high	96.8	Very high	19 Å²	19	60.6 Å²	60.6	9%	0.088	33%	0.33	C	S	.	.	H	α-helix	trans	-58.3	-48.2	176.6	169.3	72.8	0	0	0	111.9	Y770 G772 R974 T982 N984 K985 Y986 E991 Q992	Y770-H988 PolarHBondContact O-CE1 3.22Å; Y770-H988 VanDerWaalsContact O-CE1 3.3Å; G772-H988 VanDerWaalsContact CA-CD2 3.47Å; G772-H988 WeakPolarHBondContact CA-CD2 3.31Å; G772-H988 PolarHBondContact N-CE1 3.46Å; G772-H988 PolarHBondContact N-NE2 2.92Å; R974-H988 PolarHBondContact NH2-CE1 3.45Å; R974-H988 PolarHBondContact NH2-ND1 2.62Å; R974-H988 PolarHBondContact NH2-O 2.73Å; T982-H988 HydrophobicContact CG2-CB 3.66Å; N984-H988 PolarHBondContact O-N 3.07Å; K985-H988 PolarHBondContact O-N 2.94Å; Y986-H988 VanDerWaalsContact C-N 3.31Å; Y986-H988 PolarHBondContact O-N 3.26Å; H988-E991 PolarHBondContact O-N 3.47Å; H988-Q992 WeakPolarHBondContact O-CB 3.46Å; H988-Q992 PolarHBondContact O-N 3.05Å
989	M	97.5	Very high	96.8	Very high	96 Å²	96	55.7 Å²	55.7	47%	0.473	29%	0.29	S	S	.	.	H	α-helix	trans	-64.4	-39.5	178.1	-68.8	-174.4	-59.3	0	0	112.1	K985 Y986 Q987 Q992 S993	K985-M989 WeakPolarHBondContact O-CG 3.15Å; K985-M989 PolarHBondContact O-N 3.36Å; Y986-M989 PolarHBondContact O-N 3.22Å; Q987-M989 PolarHBondContact O-N 3.08Å; M989-Q992 PolarHBondContact O-N 2.98Å; M989-S993 WeakPolarHBondContact O-CB 3.22Å; M989-S993 PolarHBondContact O-N 3.31Å; M989-S993 PolarHBondContact O-OG 3.1Å
990	R	97.7	Very high	96.7	Very high	141 Å²	141	53.8 Å²	53.8	53%	0.532	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-45.2	175.5	-167.6	-172.1	88.5	-167.3	6.6	111.3	Y986 Q987 K994	Y986-R990 WeakPolarHBondContact O-CB 3.44Å; Y986-R990 PolarHBondContact O-N 2.89Å; Q987-R990 PolarHBondContact O-N 3.17Å; Q987-R990 VanDerWaalsContact OE1-NH1 3.1Å; R990-K994 WeakPolarHBondContact O-CB 3.36Å; R990-K994 PolarHBondContact O-N 3.36Å
991	E	97.4	Very high	96.3	Very high	22 Å²	22	58.5 Å²	58.5	10%	0.103	30%	0.296	C	S	.	.	H	α-helix	trans	-62.9	-46.6	176.2	-75.7	169.5	-175.7	0	0	111.7	R974 Q987 H988 S993 K994 V995	R974-E991 WeakPolarHBondContact CD-OE2 3.44Å; R974-E991 HydrophobicContact CG-CB 4.14Å; R974-E991 IonicContact NE-OE2 3.77Å; R974-E991 PolarHBondContact NE-OE2 3.39Å; Q987-E991 WeakPolarHBondContact CG-OE1 3.38Å; Q987-E991 PolarHBondContact NE2-OE1 3.34Å; Q987-E991 WeakPolarHBondContact O-CB 3.35Å; Q987-E991 WeakPolarHBondContact O-CG 3.35Å; Q987-E991 PolarHBondContact O-N 2.89Å; H988-E991 PolarHBondContact O-N 3.47Å; E991-S993 VanDerWaalsContact C-N 3.34Å; E991-S993 PolarHBondContact O-N 3.34Å; E991-K994 WeakPolarHBondContact O-CB 3.14Å; E991-K994 PolarHBondContact O-N 3.16Å; E991-K994 VanDerWaalsContact O-N 3.14Å; E991-V995 WeakPolarHBondContact O-CG2 3.44Å; E991-V995 PolarHBondContact O-N 3.26Å
992	Q	97.2	Very high	95.1	Very high	14 Å²	14	60.7 Å²	60.7	7%	0.065	31%	0.306	C	S	.	.	H	α-helix	trans	-60.1	-45.9	179	-164	69.1	10.9	0	0	111.3	E897 H988 M989 K994 V995 I996	E897-Q992 PolarHBondContact OE1-NE2 2.95Å; E897-Q992 WeakPolarHBondContact OE2-CG 3.41Å; E897-Q992 PolarHBondContact OE2-NE2 3.28Å; H988-Q992 WeakPolarHBondContact O-CB 3.46Å; H988-Q992 PolarHBondContact O-N 3.05Å; M989-Q992 PolarHBondContact O-N 2.98Å; Q992-K994 VanDerWaalsContact C-N 3.28Å; Q992-K994 PolarHBondContact O-N 2.73Å; Q992-V995 PolarHBondContact O-N 3.24Å; Q992-I996 HydrophobicContact CG-CD1 4.31Å; Q992-I996 WeakPolarHBondContact O-CG1 3.48Å; Q992-I996 PolarHBondContact O-N 2.81Å; Q992-I996 VanDerWaalsContact O-N 3.08Å
993	S	96.4	Very high	93.4	Very high	74 Å²	74	63.8 Å²	63.8	52%	0.517	32%	0.319	S	S	.	.	H	α-helix	trans	-60.6	-39.1	176.6	-55.1	0	0	0	0	111.7	M989 E991 I996 S997	M989-S993 WeakPolarHBondContact O-CB 3.22Å; M989-S993 PolarHBondContact O-N 3.31Å; M989-S993 PolarHBondContact O-OG 3.1Å; E991-S993 VanDerWaalsContact C-N 3.34Å; E991-S993 PolarHBondContact O-N 3.34Å; S993-I996 PolarHBondContact O-N 3.49Å; S993-S997 PolarHBondContact O-N 2.92Å
994	K	96.8	Very high	91	Very high	117 Å²	117	63 Å²	63	51%	0.509	30%	0.302	S	S	.	.	H	α-helix	trans	-65.1	-43.7	175.7	179.6	164.8	176.2	49.1	0	112.2	R990 E991 Q992 I996 S997 D998	R990-K994 WeakPolarHBondContact O-CB 3.36Å; R990-K994 PolarHBondContact O-N 3.36Å; E991-K994 WeakPolarHBondContact O-CB 3.14Å; E991-K994 PolarHBondContact O-N 3.16Å; E991-K994 VanDerWaalsContact O-N 3.14Å; Q992-K994 VanDerWaalsContact C-N 3.28Å; Q992-K994 PolarHBondContact O-N 2.73Å; K994-I996 VanDerWaalsContact C-N 3.31Å; K994-I996 PolarHBondContact O-N 3.37Å; K994-S997 PolarHBondContact O-N 3.11Å; K994-D998 WeakPolarHBondContact CE-OD2 3.42Å; K994-D998 WeakPolarHBondContact CG-OD2 3.31Å; K994-D998 VanDerWaalsContact NZ-CG 3.34Å; K994-D998 IonicContact NZ-OD1 3.62Å; K994-D998 PolarHBondContact NZ-OD1 2.94Å; K994-D998 IonicContact NZ-OD2 2.68Å; K994-D998 PolarHBondContact NZ-OD2 3.12Å; K994-D998 WeakPolarHBondContact O-CB 3.48Å; K994-D998 VanDerWaalsContact O-CG 3.23Å; K994-D998 PolarHBondContact O-N 3.44Å
995	V	97.4	Very high	88.4	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-57.3	-46.4	175.5	173.2	0	0	0	0	110.9	L894 Q943 R974 E991 Q992 T999	L894-V995 HydrophobicContact CD2-CG1 4.37Å; Q943-V995 WeakPolarHBondContact O-CG1 3.47Å; R974-V995 HydrophobicContact CG-CG2 4.08Å; E991-V995 WeakPolarHBondContact O-CG2 3.44Å; E991-V995 PolarHBondContact O-N 3.26Å; Q992-V995 PolarHBondContact O-N 3.24Å; V995-T999 WeakPolarHBondContact O-CB 3.46Å; V995-T999 PolarHBondContact O-N 3.21Å; V995-T999 PolarHBondContact O-OG1 3.2Å
996	I	97.2	Very high	85.7	Confident	14 Å²	14	66.5 Å²	66.5	7%	0.072	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-45.7	178.4	-67	162.2	0	0	0	110.9	L898 E901 Q992 S993 K994 T999 L1000	L898-I996 HydrophobicContact CD2-CG1 4.44Å; E901-I996 HydrophobicContact CB-CG2 3.71Å; E901-I996 HydrophobicContact CG-CD1 4.22Å; E901-I996 HydrophobicContact CG-CG2 3.69Å; Q992-I996 HydrophobicContact CG-CD1 4.31Å; Q992-I996 WeakPolarHBondContact O-CG1 3.48Å; Q992-I996 PolarHBondContact O-N 2.81Å; Q992-I996 VanDerWaalsContact O-N 3.08Å; S993-I996 PolarHBondContact O-N 3.49Å; K994-I996 VanDerWaalsContact C-N 3.31Å; K994-I996 PolarHBondContact O-N 3.37Å; I996-T999 PolarHBondContact O-N 2.87Å; I996-L1000 HydrophobicContact CG2-CD1 3.99Å; I996-L1000 PolarHBondContact O-N 3.17Å
997	S	95.7	Very high	83	Confident	25 Å²	25	64.4 Å²	64.4	18%	0.175	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-51.6	177.7	-119.8	0	0	0	0	112.3	R905 S993 K994 T999 L1000 E1001	R905-S997 PolarHBondContact NH1-OG 2.98Å; S993-S997 PolarHBondContact O-N 2.92Å; K994-S997 PolarHBondContact O-N 3.11Å; S997-T999 PolarHBondContact O-N 2.88Å; S997-T999 VanDerWaalsContact O-N 3.09Å; S997-L1000 PolarHBondContact O-N 3.35Å; S997-L1000 VanDerWaalsContact O-N 3.11Å; S997-E1001 WeakPolarHBondContact CB-OE1 3.32Å; S997-E1001 VanDerWaalsContact O-CB 3.29Å; S997-E1001 WeakPolarHBondContact O-CB 3.46Å; S997-E1001 WeakPolarHBondContact O-CG 3.02Å; S997-E1001 PolarHBondContact O-N 3.13Å; S997-E1001 PolarHBondContact OG-OE1 2.92Å
998	D	95	Very high	80	Confident	48 Å²	48	69.5 Å²	69.5	26%	0.257	35%	0.351	S	S	.	.	H	α-helix	trans	-58.3	-28.3	179.7	-66.8	-7.9	0	0	0	111.2	A972 K994	A972-D998 HydrophobicContact CB-CB 4.18Å; K994-D998 WeakPolarHBondContact CE-OD2 3.42Å; K994-D998 WeakPolarHBondContact CG-OD2 3.31Å; K994-D998 VanDerWaalsContact NZ-CG 3.34Å; K994-D998 IonicContact NZ-OD1 3.62Å; K994-D998 PolarHBondContact NZ-OD1 2.94Å; K994-D998 IonicContact NZ-OD2 2.68Å; K994-D998 PolarHBondContact NZ-OD2 3.12Å; K994-D998 WeakPolarHBondContact O-CB 3.48Å; K994-D998 VanDerWaalsContact O-CG 3.23Å; K994-D998 PolarHBondContact O-N 3.44Å
999	T	96.9	Very high	76.7	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-75	-48.8	175.5	-57.1	0	0	0	0	112.6	R886 V888 L898 S942 A972 V995 I996 S997	R886-T999 PolarHBondContact NH1-O 3.45Å; V888-T999 HydrophobicContact CB-CG2 4.37Å; V888-T999 HydrophobicContact CG1-CG2 3.64Å; V888-T999 HydrophobicContact CG2-CG2 3.77Å; L898-T999 HydrophobicContact CD1-CG2 4.18Å; L898-T999 HydrophobicContact CD2-CG2 3.72Å; S942-T999 WeakPolarHBondContact CB-OG1 3.49Å; S942-T999 PolarHBondContact OG-OG1 3.25Å; A972-T999 WeakPolarHBondContact CB-OG1 3.23Å; V995-T999 WeakPolarHBondContact O-CB 3.46Å; V995-T999 PolarHBondContact O-N 3.21Å; V995-T999 PolarHBondContact O-OG1 3.2Å; I996-T999 PolarHBondContact O-N 2.87Å; S997-T999 PolarHBondContact O-N 2.88Å; S997-T999 VanDerWaalsContact O-N 3.09Å
1000	L	95.5	Very high	73.7	Confident	1 Å²	1	78.2 Å²	78.2	1%	0.005	40%	0.396	C	S	.	.	H	α-helix	trans	-95.6	-19.1	-168.4	-62.6	179	0	0	0	114.9	E901 R902 L907 V911 I996 S997 I1002	E901-L1000 HydrophobicContact CB-CD1 3.72Å; R902-L1000 HydrophobicContact CB-CD2 4.26Å; L907-L1000 HydrophobicContact CD1-CB 4.19Å; V911-L1000 HydrophobicContact CG1-CD2 4.11Å; I996-L1000 HydrophobicContact CG2-CD1 3.99Å; I996-L1000 PolarHBondContact O-N 3.17Å; S997-L1000 PolarHBondContact O-N 3.35Å; S997-L1000 VanDerWaalsContact O-N 3.11Å; L1000-I1002 PolarHBondContact O-N 3.07Å; L1000-I1002 VanDerWaalsContact O-N 3.11Å
1001	E	87.4	Confident	70.4	Confident	103 Å²	103	76.6 Å²	76.6	48%	0.481	41%	0.407	S	S	.	.			trans	-73.1	100.3	-177.7	-80.3	177.6	-167.6	0	0	112.1	R886 S997 E1003	R886-E1001 PolarHBondContact NH1-O 3.15Å; R886-E1001 PolarHBondContact NH2-O 3.48Å; S997-E1001 WeakPolarHBondContact CB-OE1 3.32Å; S997-E1001 VanDerWaalsContact O-CB 3.29Å; S997-E1001 WeakPolarHBondContact O-CB 3.46Å; S997-E1001 WeakPolarHBondContact O-CG 3.02Å; S997-E1001 PolarHBondContact O-N 3.13Å; S997-E1001 PolarHBondContact OG-OE1 2.92Å; E1001-E1003 PolarHBondContact O-N 3.38Å
1002	I	73.8	Confident	67.5	Low	51 Å²	51	84.8 Å²	84.8	26%	0.262	46%	0.462	S	S	.	.			trans	-76.7	107.1	175.7	-52.5	160	0	0	0	108.4	E885 R886 L907 K910 V911 L1000	E885-I1002 HydrophobicContact CB-CD1 4.03Å; E885-I1002 HydrophobicContact CB-CG2 4.17Å; E885-I1002 WeakPolarHBondContact OE2-CD1 3.44Å; E885-I1002 WeakPolarHBondContact OE2-CG2 3.29Å; R886-I1002 HydrophobicContact CG-CG1 4.49Å; L907-I1002 HydrophobicContact CD2-CD1 4.27Å; K910-I1002 HydrophobicContact CB-CD1 4.03Å; K910-I1002 HydrophobicContact CD-CD1 4.27Å; V911-I1002 HydrophobicContact CG2-CD1 3.97Å; V911-I1002 HydrophobicContact CG2-CG1 4.43Å; L1000-I1002 PolarHBondContact O-N 3.07Å; L1000-I1002 VanDerWaalsContact O-N 3.11Å
1003	E	60.6	Low	66	Low	96 Å²	96	88.3 Å²	88.3	45%	0.449	48%	0.481	S	S	.	.			trans	-64.2	132.7	175.4	-72.9	163.8	-148.9	0	0	109	K970 E1001	K970-E1003 IonicContact NZ-OE1 3.57Å; K970-E1003 PolarHBondContact NZ-OE1 3.34Å; E1001-E1003 PolarHBondContact O-N 3.38Å
1004	S	45.5	Very low	64.4	Low	52 Å²	52	89.1 Å²	89.1	36%	0.364	48%	0.48	S	S	.	.			trans	-64.8	147.3	173.1	86.4	0	0	0	0	109	E1006 D1007	S1004-E1006 PolarHBondContact O-N 3.12Å; S1004-E1006 PolarHBondContact OG-N 2.75Å; S1004-D1007 PolarHBondContact O-N 3.18Å; S1004-D1007 VanDerWaalsContact O-N 3.12Å; S1004-D1007 PolarHBondContact OG-OD2 2.62Å
1005	P	43.3	Very low	62.6	Low	130 Å²	130	87.5 Å²	87.5	84%	0.844	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-14.2	177.1	-25	32.9	0	0	0	114.8
1006	E	37.5	Very low	60.5	Low	183 Å²	183	92.6 Å²	92.6	86%	0.855	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-14	-178.3	-61.9	-173.8	164.5	0	0	113.7	S1004	S1004-E1006 PolarHBondContact O-N 3.12Å; S1004-E1006 PolarHBondContact OG-N 2.75Å
1007	D	39.5	Very low	58.3	Low	117 Å²	117	97.5 Å²	97.5	63%	0.626	53%	0.533	S	S	*	.	S	Bend	trans	-95.1	-1.6	-173.3	-65.7	-55.3	0	0	0	114.6	S1004 K1009	S1004-D1007 PolarHBondContact O-N 3.18Å; S1004-D1007 VanDerWaalsContact O-N 3.12Å; S1004-D1007 PolarHBondContact OG-OD2 2.62Å; D1007-K1009 PolarHBondContact O-N 2.93Å
1008	F	33.9	Very low	55.8	Low	156 Å²	156	102.3 Å²	102.3	68%	0.684	56%	0.557	S	S	*	*			trans	-88.2	84	-179.8	-150.7	-93.4	0	0	0	112.1	P1010	F1008-P1010 HydrophobicContact CE1-CB 4.31Å
1009	K	29.5	Very low	53	Low	193 Å²	193	106.2 Å²	106.2	84%	0.839	58%	0.578	S	S	*	*			trans	-86.3	115.2	154	-80	-175.1	-179.9	176.4	0	108.2	D1007 S1011	D1007-K1009 PolarHBondContact O-N 2.93Å; K1009-S1011 PolarHBondContact O-N 3.06Å; K1009-S1011 VanDerWaalsContact O-N 3.09Å
1010	P	34.3	Very low	49.6	Very low	104 Å²	104	114.4 Å²	114.4	68%	0.675	62%	0.622	S	S	*	*			trans	-64.5	116.7	171	26.5	-29.5	0	0	0	107.9	F1008	F1008-P1010 HydrophobicContact CE1-CB 4.31Å
1011	S	28.1	Very low	45.8	Very low	108 Å²	108	123.8 Å²	123.8	76%	0.755	67%	0.674	S	S	*	*			trans	-69.5	139.5	162.1	-174	0	0	0	0	107.8	K1009	K1009-S1011 PolarHBondContact O-N 3.06Å; K1009-S1011 VanDerWaalsContact O-N 3.09Å
1012	P	35.6	Very low	42	Very low	193 Å²	193	125.7 Å²	125.7	100%	1.253	69%	0.691	S	S	*	*			trans	-59.9	0	-177.8	25	-35	0	0	0	113.7

Retrieved 1,012 of 1,012 residues in 1151.1 ms (Link to these results)

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