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Histone deacetylase 4

Responsible for the deacetylation of lysine residues on the N-terminal part of the core histones (H2A, H2B, H3 and H4). Histone deacetylation gives a tag for epigenetic repression and plays an important role in transcriptional regulation, cell cycle progression and developmental events. Histone deacetylases act via the formation of large multiprotein complexes. Involved in muscle maturation via its interaction with the myocyte enhancer factors such as MEF2A, MEF2C and MEF2D. Deacetylates HSPA1A and HSPA1B at 'Lys-77' leading to their preferential binding to co-chaperone STUB1.

AlphaFold DB , UniProt , Accession Q99P99, Species RAT (Rattus norvegicus, Rat), Gene Hdac4, Length 1,077 aa.

						>HDAC4_RAT|Q99P99|Hdac4
MSSQSHPDGLSGRDQPVELLNPARVNHMPSTVDVATALPLQVAPAAVPMDLRLDHQFSLPLEPALREQQLQQELLALKQKQQIQRQILIAEFQRQHEQLSRQHEAQLHEHIKQQQEMLAMKHQQELLEHQRKLERHRQEQELEKQHREQKLQQLKNKEKGKESAVASTEVKMKLQEFVLNKKKALAHRNLNHCMSSDPRYWYGKTQHSSLDQSSPPQSGVSASYNHPVLGMYDAKDDFPLRKTASEPNLKLRSRLKQKVAERRSSPLLRRKDGPVATALKKRPLDVTDSACSSAPGSGPSSPNSSSGNVSTENGIAPTVPSTPAETSLAHRLVTREGSVAPLPLYTSPSLPNITLGLPATGPAAGAAGQQDAERLALPALQQRISLFPGTHLTPYLSTSPLERDGGAAHNPLLQHMVLLEQPPTQTPLVTGLGALPLHTQSLVGADRVSPSIHKLRQHRPLGRTQSAPLPQNAQALQHLVIQQQHQQFLEKHKQQFQQQQLHLSKMISKPSEPPRQPESHPEETEEELREHQALLDEPYLDRLPGQKEPSLAGVQVKQEPIESEEEEVEATREAEPSQRPATEQELLFRQQALLLEQQRIHQLRNYQASMEAAGIPVSFGSHRPLSRAQSSPASATFPMSVQEPPTKPRFTTGLVYDTLMLKHQCTCGNTNSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSSLTSVFVRLPCGGVGVDSDTIWNEVHSSGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAIAAKLLQQRLNVSKILIVDWDVHHGNGTQQAFYNDPNVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIANEFAPDVVLVSSGFDAVEGHPTPLGGYNLSAKCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELEPLPEKVLHQRPNANAVHSMEKVMGIHSEYWRCLQRLSPTVGHSLIEAQKCENEEAETVTAMASLSVGVKPAEKRSEEEPMEEEPPL
					

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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	45.5	Very low	39.1	Very low	231 Å²	231	139.8 Å²	139.8	100%	1.138	82%	0.817	S	S	*	*				0	80.6	0	-52.2	-178.6	108.6	0	0	105.1
2	S	35.6	Very low	39.2	Very low	113 Å²	113	134.4 Å²	134.4	79%	0.79	81%	0.813	S	S	*	*			cis	69	127.4	41.6	-36.3	0	0	0	0	111.5
3	S	37.3	Very low	39	Very low	99 Å²	99	140 Å²	140	69%	0.692	81%	0.811	S	S	*	*			cis	-176.4	154.5	-7.4	34.7	0	0	0	0	110.6
4	Q	38.3	Very low	38.7	Very low	177 Å²	177	138.4 Å²	138.4	83%	0.827	80%	0.798	S	S	*	*			trans	45.8	110.3	145.1	-73.2	169.1	-15.3	0	0	119
5	S	36.7	Very low	38.3	Very low	96 Å²	96	141.1 Å²	141.1	67%	0.671	80%	0.801	S	S	*	*				80.9	128.6	68	72.1	0	0	0	0	116
6	H	39.8	Very low	38	Very low	191 Å²	191	139.6 Å²	139.6	88%	0.884	80%	0.798	S	S	*	*			trans	-165.4	161.5	145.6	-103.3	-72.1	0	0	0	111.3
7	P	47.7	Very low	37.9	Very low	102 Å²	102	139.5 Å²	139.5	66%	0.662	80%	0.8	S	S	*	*			trans	-120.7	-147.3	-162.9	45.8	-33.9	0	0	0	115.2
8	D	39.3	Very low	37.6	Very low	164 Å²	164	141 Å²	141	88%	0.877	80%	0.799	S	S	*	*			trans	80.7	134.7	-177.6	-54.4	-22	0	0	0	115.7
9	G	35.9	Very low	37.3	Very low	68 Å²	68	142.8 Å²	142.8	70%	0.701	81%	0.805	S	S	*	*			cis	149.6	136.1	-10	0	0	0	0	0	112.8
10	L	38.2	Very low	37.2	Very low	189 Å²	189	143.8 Å²	143.8	99%	0.99	81%	0.808	S	S	*	*			trans	-174.4	163	157.2	-106.6	170	0	0	0	113.2
11	S	35.5	Very low	37	Very low	108 Å²	108	144.5 Å²	144.5	76%	0.755	81%	0.81	S	S	*	*			trans	-100	152.1	-158.1	-177.7	0	0	0	0	116.7
12	G	40.7	Very low	36.6	Very low	75 Å²	75	139.2 Å²	139.2	77%	0.773	79%	0.792	S	S	*	*			trans	-156.8	143.8	165.7	0	0	0	0	0	109.9
13	R	36	Very low	36.4	Very low	207 Å²	207	138 Å²	138	78%	0.781	79%	0.789	S	S	*	*			trans	-114.7	148.6	-157.2	-75.7	-177.4	70.2	160.3	5.5	116.3
14	D	34.8	Very low	36.1	Very low	117 Å²	117	144.9 Å²	144.9	63%	0.626	80%	0.8	S	S	*	*			trans	46.1	132.6	143.3	-43.7	-24.4	0	0	0	118.4
15	Q	33.4	Very low	35.9	Very low	180 Å²	180	142.9 Å²	142.9	84%	0.841	80%	0.8	S	S	*	*			cis	-153.6	160.4	39.8	-66.4	174.8	1	0	0	113.1
16	P	33	Very low	35.7	Very low	116 Å²	116	145.1 Å²	145.1	75%	0.753	80%	0.804	S	S	*	*			trans	-88.1	160.6	166.4	36.8	-34	0	0	0	112.8
17	V	36.4	Very low	35.3	Very low	139 Å²	139	143.6 Å²	143.6	84%	0.842	80%	0.797	S	S	*	*			trans	-109.4	116.2	169.3	178	0	0	0	0	109.3
18	E	32.9	Very low	34.7	Very low	166 Å²	166	147.5 Å²	147.5	78%	0.776	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-79.1	139.7	174.4	-64.8	-177.2	119.1	0	0	111.5
19	L	32.3	Very low	34.4	Very low	175 Å²	175	145 Å²	145	92%	0.916	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-79.1	118.5	163.9	-87.2	76.3	0	0	0	109.1
20	L	35.5	Very low	34.4	Very low	163 Å²	163	147.6 Å²	147.6	85%	0.853	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-85.1	131.9	171.7	-74.2	172.6	0	0	0	111.5
21	N	33.2	Very low	33.9	Very low	159 Å²	159	145.1 Å²	145.1	85%	0.85	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-81.2	149.7	-178.9	-129.7	-6.3	0	0	0	111.2
22	P	35.7	Very low	33.9	Very low	119 Å²	119	146.7 Å²	146.7	77%	0.773	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-91.2	117	-169.2	33.6	-32.1	0	0	0	113.7
23	A	32	Very low	33.4	Very low	87 Å²	87	150.6 Å²	150.6	72%	0.719	81%	0.809	S	S	*	*			trans	-160.9	134.4	161.9	0	0	0	0	0	113.2
24	R	30.2	Very low	33.5	Very low	244 Å²	244	147 Å²	147	92%	0.921	81%	0.81	S	S	*	*			trans	59.4	125.2	163.6	-59.5	175	175.9	174.5	-1.5	118.1
25	V	35.9	Very low	33.3	Very low	136 Å²	136	145.4 Å²	145.4	82%	0.824	81%	0.813	S	S	*	*				-169.3	134	106.1	145.6	0	0	0	0	108.4
26	N	31.1	Very low	33.4	Very low	142 Å²	142	143.4 Å²	143.4	76%	0.759	81%	0.813	S	S	*	*			trans	-110.5	148.1	170.7	-98.4	-11.9	0	0	0	109.7
27	H	31.6	Very low	33.5	Very low	160 Å²	160	142.1 Å²	142.1	74%	0.741	81%	0.813	S	S	*	*			trans	48.5	116.5	163.6	-63.3	-58.7	0	0	0	119.9
28	M	34.3	Very low	33.6	Very low	184 Å²	184	143.4 Å²	143.4	91%	0.906	81%	0.814	S	S	*	*			trans	-135.5	124.8	135.6	-92.3	-66.3	108.1	0	0	109.2
29	P	34.3	Very low	34	Very low	110 Å²	110	140.9 Å²	140.9	71%	0.714	81%	0.812	S	S	*	*			trans	-103.1	137.2	176.2	35.9	-29.4	0	0	0	112.3
30	S	34.7	Very low	34.1	Very low	124 Å²	124	140 Å²	140	87%	0.867	81%	0.807	S	S	*	*			trans	-153.9	136.6	157.8	55.8	0	0	0	0	111.8
31	T	29.2	Very low	33.8	Very low	136 Å²	136	140.8 Å²	140.8	83%	0.834	81%	0.807	S	S	*	*			trans	-95.7	134.4	-176.8	48.2	0	0	0	0	111.7
32	V	34.9	Very low	33.9	Very low	141 Å²	141	140.1 Å²	140.1	86%	0.855	81%	0.808	S	S	*	*			trans	-139.6	110.1	152.8	-170.9	0	0	0	0	109.1
33	D	31	Very low	33.7	Very low	157 Å²	157	138.6 Å²	138.6	84%	0.84	81%	0.805	S	S	*	*			trans	-87.2	125.4	172.4	-111.8	-48.5	0	0	0	110.4
34	V	36.9	Very low	34.2	Very low	133 Å²	133	140.6 Å²	140.6	81%	0.806	81%	0.811	S	S	*	*			trans	-145	98.9	155.7	-174.7	0	0	0	0	109.4
35	A	31	Very low	34.4	Very low	83 Å²	83	133 Å²	133	69%	0.686	80%	0.801	S	S	*	*			trans	-82.2	150.4	166.1	0	0	0	0	0	111.1
36	T	35.1	Very low	34.2	Very low	137 Å²	137	131.4 Å²	131.4	84%	0.84	80%	0.802	S	S	*	*			trans	-170.1	125.4	146	-80.9	0	0	0	0	112.7
37	A	35.5	Very low	34.7	Very low	90 Å²	90	130.5 Å²	130.5	74%	0.744	80%	0.801	S	S	*	*			trans	51.1	106.5	151.2	0	0	0	0	0	122.6
38	L	38.8	Very low	34.9	Very low	166 Å²	166	128.2 Å²	128.2	87%	0.869	80%	0.8	S	S	*	*			trans	-56.3	160.2	131.1	-78.8	169.6	0	0	0	110.4
39	P	39.9	Very low	35.3	Very low	112 Å²	112	127.5 Å²	127.5	73%	0.727	80%	0.797	S	S	*	*				-158.1	-167.8	53.2	41.9	-18.2	0	0	0	118.8
40	L	34.6	Very low	35.3	Very low	158 Å²	158	127.2 Å²	127.2	83%	0.827	79%	0.789	S	S	*	*			trans	113.7	139.3	153.8	-74.8	157.6	0	0	0	118.7
41	Q	30.4	Very low	35.6	Very low	179 Å²	179	128.9 Å²	128.9	84%	0.836	79%	0.788	S	S	*	*			trans	-90.4	137.1	-169.9	-53.4	149.2	-69.8	0	0	111.1
42	V	34.5	Very low	36.1	Very low	144 Å²	144	131.5 Å²	131.5	87%	0.873	78%	0.782	S	S	*	*			trans	-142.1	129.9	141.7	-175	0	0	0	0	107.8
43	A	32.4	Very low	36.4	Very low	87 Å²	87	133 Å²	133	72%	0.719	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-99.6	133.2	171.8	0	0	0	0	0	109.9	A45	A43-A45 PolarHBondContact O-N 3.41Å
44	P	42.5	Very low	36.8	Very low	130 Å²	130	133 Å²	133	84%	0.844	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-69.8	121.6	165.9	-12	27.7	0	0	0	109.2
45	A	33.4	Very low	36.8	Very low	85 Å²	85	134.3 Å²	134.3	70%	0.702	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-69.8	156.6	174.8	0	0	0	0	0	111.5	A43 V47	A43-A45 PolarHBondContact O-N 3.41Å; A45-V47 PolarHBondContact O-N 3.05Å
46	A	31.8	Very low	37.3	Very low	102 Å²	102	139.4 Å²	139.4	84%	0.843	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-64.4	121.4	171.7	0	0	0	0	0	110.4
47	V	41.3	Very low	37.4	Very low	123 Å²	123	142 Å²	142	75%	0.745	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-100.7	117.1	175.7	-179.2	0	0	0	0	108.9	A45	A45-V47 PolarHBondContact O-N 3.05Å
48	P	36.5	Very low	37.7	Very low	112 Å²	112	143 Å²	143	73%	0.727	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-74.2	127.4	169.7	30.4	-31.8	0	0	0	109.9	D50	P48-D50 PolarHBondContact O-N 3.01Å
49	M	42.1	Very low	38.4	Very low	168 Å²	168	142.9 Å²	142.9	83%	0.828	79%	0.792	S	S	*	*			trans	-76.3	84.6	171.2	-76.8	-75.6	-69.4	0	0	109.9	L51	M49-L51 PolarHBondContact O-N 2.82Å
50	D	35.7	Very low	38.7	Very low	104 Å²	104	143.6 Å²	143.6	56%	0.556	80%	0.797	S	S	*	*			trans	-77.6	116.6	169.5	-171.3	25.6	0	0	0	110	P48 R52	P48-D50 PolarHBondContact O-N 3.01Å; D50-R52 VanDerWaalsContact C-N 3.32Å; D50-R52 VanDerWaalsContact CG-NH1 3.3Å; D50-R52 PolarHBondContact O-N 3.26Å; D50-R52 IonicContact OD1-NH1 2.79Å; D50-R52 PolarHBondContact OD1-NH1 3.47Å; D50-R52 VanDerWaalsContact OD1-NH1 3.11Å; D50-R52 IonicContact OD2-CZ 3.85Å; D50-R52 IonicContact OD2-NH1 3.52Å; D50-R52 PolarHBondContact OD2-NH1 3.36Å
51	L	40.3	Very low	39.6	Very low	160 Å²	160	141.1 Å²	141.1	84%	0.838	78%	0.784	S	S	*	*			trans	-84	73.7	-177.4	-79.8	167.1	0	0	0	111	M49	M49-L51 PolarHBondContact O-N 2.82Å
52	R	39.3	Very low	41.1	Very low	190 Å²	190	139.3 Å²	139.3	72%	0.717	78%	0.776	S	S	*	*			trans	-120.4	106.3	171.5	-72.6	-172.7	167.5	93.8	2	111.5	D50 D54	D50-R52 VanDerWaalsContact C-N 3.32Å; D50-R52 VanDerWaalsContact CG-NH1 3.3Å; D50-R52 PolarHBondContact O-N 3.26Å; D50-R52 IonicContact OD1-NH1 2.79Å; D50-R52 PolarHBondContact OD1-NH1 3.47Å; D50-R52 VanDerWaalsContact OD1-NH1 3.11Å; D50-R52 IonicContact OD2-CZ 3.85Å; D50-R52 IonicContact OD2-NH1 3.52Å; D50-R52 PolarHBondContact OD2-NH1 3.36Å; R52-D54 PolarHBondContact O-N 3.32Å
53	L	42.1	Very low	42.4	Very low	174 Å²	174	137.6 Å²	137.6	91%	0.911	77%	0.767	S	S	*	*			trans	-88	89.6	174.1	-94.3	157.8	0	0	0	110.3
54	D	39.5	Very low	44.4	Very low	156 Å²	156	136.6 Å²	136.6	83%	0.834	76%	0.759	S	S	*	*			trans	-76.2	133.2	167.3	-101.3	-47.4	0	0	0	111.1	R52	R52-D54 PolarHBondContact O-N 3.32Å
55	H	36.3	Very low	46	Very low	161 Å²	161	134.6 Å²	134.6	75%	0.745	74%	0.741	S	S	*	*			trans	-86.7	112.5	-179.9	-103.9	51.1	0	0	0	111.1
56	Q	41.4	Very low	48	Very low	189 Å²	189	136.1 Å²	136.1	88%	0.883	73%	0.728	S	S	*	*			trans	-134.1	130.4	158.8	-68.9	-162.9	-1.2	0	0	111.7
57	F	38.2	Very low	50.3	Low	191 Å²	191	136.8 Å²	136.8	84%	0.838	71%	0.714	S	S	*	*			trans	-79	145.6	-179.4	-77.9	-113.5	0	0	0	111.6
58	S	41.4	Very low	52.3	Low	113 Å²	113	137.1 Å²	137.1	79%	0.79	71%	0.707	S	S	*	*			trans	-159.8	110.5	150.6	-86.2	0	0	0	0	113.3
59	L	53.4	Low	54.7	Low	162 Å²	162	135.4 Å²	135.4	85%	0.848	69%	0.69	S	S	*	*			trans	61.1	139.4	153.6	-60.2	170.4	0	0	0	120	L61	L59-L61 PolarHBondContact O-N 3Å
60	P	45.4	Very low	56.7	Low	127 Å²	127	131.7 Å²	131.7	83%	0.825	67%	0.673	S	S	*	*			trans	-79.1	105.6	177.4	32	-32.8	0	0	0	111.1
61	L	53.8	Low	59	Low	106 Å²	106	132.1 Å²	132.1	56%	0.555	67%	0.671	S	S	*	*			trans	-78.5	144.1	166.1	-156.4	70.2	0	0	0	109.7	L59 L65	L59-L61 PolarHBondContact O-N 3Å; L61-L65 HydrophobicContact CD1-CD2 4.08Å; L61-L65 HydrophobicContact CD2-CD2 4.15Å; L61-L65 HydrophobicContact CG-CD2 4.07Å
62	E	61.1	Low	61.3	Low	142 Å²	142	131.4 Å²	131.4	66%	0.664	66%	0.664	S	S	*	*			trans	-62.7	136.9	-173.6	-159.3	173.5	-146.4	0	0	111.7	A64 L65 R66	E62-A64 VanDerWaalsContact C-N 3.3Å; E62-A64 PolarHBondContact O-N 3.28Å; E62-L65 HydrophobicContact CB-CB 4.48Å; E62-L65 PolarHBondContact O-N 2.93Å; E62-R66 PolarHBondContact O-N 3.37Å; E62-R66 VanDerWaalsContact O-N 3.11Å
63	P	62.9	Low	63.6	Low	107 Å²	107	126.8 Å²	126.8	70%	0.695	65%	0.65	S	S	*	*	H	α-helix	trans	-55	-41.7	-171.8	-29.3	35.8	0	0	0	114.2	L65 R66 E67	P63-L65 VanDerWaalsContact C-N 3.35Å; P63-L65 PolarHBondContact O-N 3.48Å; P63-R66 PolarHBondContact O-N 3.16Å; P63-E67 PolarHBondContact O-N 2.87Å
64	A	74	Confident	65.8	Low	66 Å²	66	124 Å²	124	55%	0.545	64%	0.636	S	S	.	*	H	α-helix	trans	-62.8	-38.6	178.1	0	0	0	0	0	112.7	E62 E67 Q68	E62-A64 VanDerWaalsContact C-N 3.3Å; E62-A64 PolarHBondContact O-N 3.28Å; A64-E67 PolarHBondContact O-N 2.74Å; A64-Q68 WeakPolarHBondContact O-CB 3.42Å; A64-Q68 PolarHBondContact O-N 3.41Å
65	L	77.2	Confident	68.2	Low	89 Å²	89	122.1 Å²	122.1	47%	0.466	63%	0.625	S	S	.	*	H	α-helix	trans	-69.7	-36.2	178.1	-153	78.4	0	0	0	111.2	L61 E62 P63 Q69	L61-L65 HydrophobicContact CD1-CD2 4.08Å; L61-L65 HydrophobicContact CD2-CD2 4.15Å; L61-L65 HydrophobicContact CG-CD2 4.07Å; E62-L65 HydrophobicContact CB-CB 4.48Å; E62-L65 PolarHBondContact O-N 2.93Å; P63-L65 VanDerWaalsContact C-N 3.35Å; P63-L65 PolarHBondContact O-N 3.48Å; L65-Q69 WeakPolarHBondContact O-CB 3.46Å; L65-Q69 PolarHBondContact O-N 3.2Å
66	R	75.1	Confident	70.7	Confident	117 Å²	117	117.2 Å²	117.2	44%	0.442	61%	0.612	S	S	.	*	H	α-helix	trans	-70.7	-36.7	175.7	-172.1	58.6	175.8	161.1	6.1	112.3	E62 P63 Q69 L70	E62-R66 PolarHBondContact O-N 3.37Å; E62-R66 VanDerWaalsContact O-N 3.11Å; P63-R66 PolarHBondContact O-N 3.16Å; R66-Q69 PolarHBondContact O-N 3Å; R66-L70 WeakPolarHBondContact O-CG 3.27Å; R66-L70 PolarHBondContact O-N 3.31Å
67	E	79.6	Confident	73	Confident	116 Å²	116	113.8 Å²	113.8	54%	0.542	60%	0.599	S	S	.	*	H	α-helix	trans	-66.1	-44.8	173.1	-171.1	178.4	169.4	0	0	111.5	P63 A64 Q69 L70 Q71	P63-E67 PolarHBondContact O-N 2.87Å; A64-E67 PolarHBondContact O-N 2.74Å; E67-Q69 VanDerWaalsContact C-N 3.3Å; E67-Q69 PolarHBondContact O-N 2.99Å; E67-L70 PolarHBondContact O-N 3.38Å; E67-L70 VanDerWaalsContact O-N 3.16Å; E67-Q71 WeakPolarHBondContact O-CG 3.45Å; E67-Q71 PolarHBondContact O-N 3.49Å; E67-Q71 PolarHBondContact OE1-NE2 3.03Å
68	Q	83.9	Confident	75.4	Confident	129 Å²	129	110.9 Å²	110.9	60%	0.603	59%	0.586	S	S	*	*	H	α-helix	trans	-59.9	-40	175.4	-169.9	178.7	18.9	0	0	111.9	A64 Q71 Q72	A64-Q68 WeakPolarHBondContact O-CB 3.42Å; A64-Q68 PolarHBondContact O-N 3.41Å; Q68-Q71 PolarHBondContact O-N 2.81Å; Q68-Q72 PolarHBondContact O-N 3.25Å
69	Q	85.8	Confident	77.7	Confident	77 Å²	77	111.8 Å²	111.8	36%	0.36	58%	0.578	S	S	.	*	H	α-helix	trans	-62.4	-45.4	174.2	-171.8	178.1	21.6	0	0	111.8	L65 R66 E67 Q71 Q72 E73	L65-Q69 WeakPolarHBondContact O-CB 3.46Å; L65-Q69 PolarHBondContact O-N 3.2Å; R66-Q69 PolarHBondContact O-N 3Å; E67-Q69 VanDerWaalsContact C-N 3.3Å; E67-Q69 PolarHBondContact O-N 2.99Å; Q69-Q71 PolarHBondContact O-N 3.48Å; Q69-Q72 PolarHBondContact O-N 3.42Å; Q69-E73 PolarHBondContact O-N 2.82Å
70	L	84.3	Confident	79.5	Confident	90 Å²	90	110.2 Å²	110.2	47%	0.471	56%	0.564	S	S	.	*	H	α-helix	trans	-63.2	-40.2	177.1	-79.7	164.4	0	0	0	112.6	R66 E67 Q72 E73 L74	R66-L70 WeakPolarHBondContact O-CG 3.27Å; R66-L70 PolarHBondContact O-N 3.31Å; E67-L70 PolarHBondContact O-N 3.38Å; E67-L70 VanDerWaalsContact O-N 3.16Å; L70-Q72 VanDerWaalsContact C-N 3.31Å; L70-Q72 PolarHBondContact O-N 3.35Å; L70-E73 PolarHBondContact O-N 2.71Å; L70-L74 VanDerWaalsContact O-CB 3.31Å; L70-L74 WeakPolarHBondContact O-CB 3.39Å; L70-L74 PolarHBondContact O-N 2.72Å
71	Q	84.7	Confident	81.6	Confident	112 Å²	112	110.6 Å²	110.6	52%	0.523	56%	0.555	S	S	.	*	H	α-helix	trans	-63.2	-38.2	174.4	-69.4	-179.1	12.3	0	0	111.7	E67 Q68 Q69 L74 L75	E67-Q71 WeakPolarHBondContact O-CG 3.45Å; E67-Q71 PolarHBondContact O-N 3.49Å; E67-Q71 PolarHBondContact OE1-NE2 3.03Å; Q68-Q71 PolarHBondContact O-N 2.81Å; Q69-Q71 PolarHBondContact O-N 3.48Å; Q71-L74 PolarHBondContact O-N 2.91Å; Q71-L75 WeakPolarHBondContact O-CG 3.37Å; Q71-L75 PolarHBondContact O-N 3.27Å
72	Q	87.2	Confident	83.3	Confident	146 Å²	146	111.2 Å²	111.2	68%	0.682	56%	0.555	S	S	*	*	H	α-helix	trans	-70.5	-40.3	177	-169.6	168.1	70.9	0	0	112.5	Q68 Q69 L70 L75 A76	Q68-Q72 PolarHBondContact O-N 3.25Å; Q69-Q72 PolarHBondContact O-N 3.42Å; L70-Q72 VanDerWaalsContact C-N 3.31Å; L70-Q72 PolarHBondContact O-N 3.35Å; Q72-L75 PolarHBondContact O-N 2.82Å; Q72-A76 PolarHBondContact O-N 3.22Å
73	E	88.3	Confident	84.8	Confident	92 Å²	92	108.5 Å²	108.5	43%	0.43	54%	0.544	S	S	.	.	H	α-helix	trans	-61.9	-41	171.9	-74.7	177	-177.5	0	0	111.8	Q69 L70 A76 L77	Q69-E73 PolarHBondContact O-N 2.82Å; L70-E73 PolarHBondContact O-N 2.71Å; E73-A76 PolarHBondContact O-N 3.01Å; E73-L77 WeakPolarHBondContact O-CB 3.3Å; E73-L77 WeakPolarHBondContact O-CG 3.39Å; E73-L77 PolarHBondContact O-N 3.5Å
74	L	88.3	Confident	86	Confident	117 Å²	117	109 Å²	109	61%	0.613	54%	0.538	S	S	*	.	H	α-helix	trans	-67.8	-37.9	178.8	-165.7	152	0	0	0	112.1	L70 Q71 L77 K78	L70-L74 VanDerWaalsContact O-CB 3.31Å; L70-L74 WeakPolarHBondContact O-CB 3.39Å; L70-L74 PolarHBondContact O-N 2.72Å; Q71-L74 PolarHBondContact O-N 2.91Å; L74-L77 PolarHBondContact O-N 3.47Å; L74-K78 WeakPolarHBondContact O-CB 3.42Å; L74-K78 PolarHBondContact O-N 3.25Å
75	L	89.2	Confident	86.6	Confident	116 Å²	116	114.6 Å²	114.6	61%	0.607	54%	0.544	S	S	*	.	H	α-helix	trans	-63.3	-44.2	170.8	-77.1	168.6	0	0	0	112.1	Q71 Q72 L77 K78 Q79	Q71-L75 WeakPolarHBondContact O-CG 3.37Å; Q71-L75 PolarHBondContact O-N 3.27Å; Q72-L75 PolarHBondContact O-N 2.82Å; L75-L77 PolarHBondContact O-N 2.85Å; L75-K78 PolarHBondContact O-N 3.39Å; L75-Q79 PolarHBondContact O-N 3.06Å
76	A	89.8	Confident	87.2	Confident	57 Å²	57	115.9 Å²	115.9	47%	0.471	55%	0.548	S	S	.	.	H	α-helix	trans	-63.9	-39.7	177	0	0	0	0	0	112.3	Q72 E73 Q79 K80	Q72-A76 PolarHBondContact O-N 3.22Å; E73-A76 PolarHBondContact O-N 3.01Å; A76-Q79 PolarHBondContact O-N 3.3Å; A76-K80 WeakPolarHBondContact O-CB 3.3Å; A76-K80 PolarHBondContact O-N 3.07Å
77	L	89.4	Confident	88	Confident	117 Å²	117	114.7 Å²	114.7	61%	0.613	55%	0.55	S	S	*	.	H	α-helix	trans	-61.4	-46	172.6	-83.7	162.4	0	0	0	111.9	E73 L74 L75 Q79 K80 Q81	E73-L77 WeakPolarHBondContact O-CB 3.3Å; E73-L77 WeakPolarHBondContact O-CG 3.39Å; E73-L77 PolarHBondContact O-N 3.5Å; L74-L77 PolarHBondContact O-N 3.47Å; L75-L77 PolarHBondContact O-N 2.85Å; L77-Q79 PolarHBondContact O-N 3.09Å; L77-K80 PolarHBondContact O-N 3.2Å; L77-Q81 WeakPolarHBondContact O-CB 3.5Å; L77-Q81 PolarHBondContact O-N 3.4Å
78	K	87.9	Confident	88.4	Confident	131 Å²	131	114.9 Å²	114.9	57%	0.57	55%	0.554	S	S	*	*	H	α-helix	trans	-61.8	-42	176.8	-171.4	175.9	-178.5	178.6	0	111.9	L74 L75 Q81 Q82	L74-K78 WeakPolarHBondContact O-CB 3.42Å; L74-K78 PolarHBondContact O-N 3.25Å; L75-K78 PolarHBondContact O-N 3.39Å; K78-Q81 PolarHBondContact O-N 2.87Å; K78-Q82 WeakPolarHBondContact O-CB 3.29Å; K78-Q82 PolarHBondContact O-N 2.91Å
79	Q	90.6	Very high	88.6	Confident	132 Å²	132	112.4 Å²	112.4	62%	0.617	54%	0.544	S	S	*	.	H	α-helix	trans	-64.1	-44	175.4	-169.8	178.7	12.1	0	0	111.7	L75 A76 L77 Q81 Q82 I83	L75-Q79 PolarHBondContact O-N 3.06Å; A76-Q79 PolarHBondContact O-N 3.3Å; L77-Q79 PolarHBondContact O-N 3.09Å; Q79-Q81 PolarHBondContact O-N 2.91Å; Q79-Q82 PolarHBondContact O-N 3.08Å; Q79-I83 HydrophobicContact CG-CD1 4.26Å; Q79-I83 WeakPolarHBondContact O-CG1 3.48Å; Q79-I83 PolarHBondContact O-N 2.76Å
80	K	90.2	Very high	88.8	Confident	129 Å²	129	110.8 Å²	110.8	56%	0.561	54%	0.544	S	S	*	.	H	α-helix	trans	-60.4	-43.8	175.6	-175	178	179	-179.1	0	111.9	A76 L77 Q82 I83 Q84	A76-K80 WeakPolarHBondContact O-CB 3.3Å; A76-K80 PolarHBondContact O-N 3.07Å; L77-K80 PolarHBondContact O-N 3.2Å; K80-Q82 PolarHBondContact O-N 3.23Å; K80-I83 PolarHBondContact O-N 3.5Å; K80-Q84 WeakPolarHBondContact O-CG 3.29Å; K80-Q84 PolarHBondContact O-N 2.87Å
81	Q	90.1	Very high	89.1	Confident	134 Å²	134	111.2 Å²	111.2	63%	0.626	54%	0.543	S	S	*	.	H	α-helix	trans	-62.6	-40.7	175.9	-168.5	-176.7	27.3	0	0	111.8	L77 K78 Q79 Q84 R85	L77-Q81 WeakPolarHBondContact O-CB 3.5Å; L77-Q81 PolarHBondContact O-N 3.4Å; K78-Q81 PolarHBondContact O-N 2.87Å; Q79-Q81 PolarHBondContact O-N 2.91Å; Q81-Q84 PolarHBondContact O-N 3.36Å; Q81-R85 WeakPolarHBondContact O-CB 3.29Å; Q81-R85 PolarHBondContact O-N 3.28Å
82	Q	90.6	Very high	89.3	Confident	120 Å²	120	112.7 Å²	112.7	56%	0.561	55%	0.548	S	S	*	.	H	α-helix	trans	-69.9	-30.5	177.6	-173.4	166.5	-14.9	0	0	113	K78 Q79 K80 Q86	K78-Q82 WeakPolarHBondContact O-CB 3.29Å; K78-Q82 PolarHBondContact O-N 2.91Å; Q79-Q82 PolarHBondContact O-N 3.08Å; K80-Q82 PolarHBondContact O-N 3.23Å; Q82-Q86 WeakPolarHBondContact O-CG 3.48Å; Q82-Q86 PolarHBondContact O-N 3.35Å; Q82-Q86 PolarHBondContact O-NE2 3.41Å
83	I	91.3	Very high	89.3	Confident	84 Å²	84	111.4 Å²	111.4	43%	0.431	54%	0.542	S	S	.	.	H	α-helix	trans	-69.6	-46.7	170.2	-68.6	165.6	0	0	0	110.4	Q79 K80 R85 Q86 I87	Q79-I83 HydrophobicContact CG-CD1 4.26Å; Q79-I83 WeakPolarHBondContact O-CG1 3.48Å; Q79-I83 PolarHBondContact O-N 2.76Å; K80-I83 PolarHBondContact O-N 3.5Å; I83-R85 VanDerWaalsContact C-N 3.31Å; I83-R85 PolarHBondContact O-N 3.16Å; I83-Q86 PolarHBondContact O-N 3.08Å; I83-Q86 VanDerWaalsContact O-N 3.15Å; I83-I87 HydrophobicContact CG2-CD1 3.92Å; I83-I87 WeakPolarHBondContact O-CG1 3.41Å; I83-I87 PolarHBondContact O-N 3.28Å
84	Q	89.1	Confident	89.4	Confident	119 Å²	119	114.8 Å²	114.8	56%	0.556	55%	0.551	S	S	*	*	H	α-helix	trans	-59.9	-39.9	176.7	-73.1	-179.7	-59.4	0	0	112.3	K80 Q81 Q86 I87 L88	K80-Q84 WeakPolarHBondContact O-CG 3.29Å; K80-Q84 PolarHBondContact O-N 2.87Å; Q81-Q84 PolarHBondContact O-N 3.36Å; Q84-Q86 PolarHBondContact O-N 2.82Å; Q84-I87 PolarHBondContact O-N 3.31Å; Q84-L88 WeakPolarHBondContact O-CB 3.46Å; Q84-L88 PolarHBondContact O-N 2.96Å
85	R	87.2	Confident	89.4	Confident	183 Å²	183	115.5 Å²	115.5	69%	0.691	55%	0.551	S	S	*	*	H	α-helix	trans	-62	-40.6	174.8	-172.5	176.8	-179.7	-175.7	0.5	112.4	Q81 I83 I89	Q81-R85 WeakPolarHBondContact O-CB 3.29Å; Q81-R85 PolarHBondContact O-N 3.28Å; I83-R85 VanDerWaalsContact C-N 3.31Å; I83-R85 PolarHBondContact O-N 3.16Å; R85-I89 HydrophobicContact CG-CD1 4Å; R85-I89 WeakPolarHBondContact O-CD1 3.48Å; R85-I89 VanDerWaalsContact O-CG1 3.27Å; R85-I89 WeakPolarHBondContact O-CG1 3.36Å; R85-I89 PolarHBondContact O-N 2.65Å; R85-I89 VanDerWaalsContact O-N 3.09Å
86	Q	89.2	Confident	89.3	Confident	116 Å²	116	115.8 Å²	115.8	54%	0.542	55%	0.549	S	S	.	.	H	α-helix	trans	-67.7	-41.2	176.6	-77.2	169.7	95.4	0	0	112.4	Q82 I83 Q84 I89 A90	Q82-Q86 WeakPolarHBondContact O-CG 3.48Å; Q82-Q86 PolarHBondContact O-N 3.35Å; Q82-Q86 PolarHBondContact O-NE2 3.41Å; I83-Q86 PolarHBondContact O-N 3.08Å; I83-Q86 VanDerWaalsContact O-N 3.15Å; Q84-Q86 PolarHBondContact O-N 2.82Å; Q86-I89 PolarHBondContact O-N 2.96Å; Q86-A90 WeakPolarHBondContact O-CB 3.3Å; Q86-A90 PolarHBondContact O-N 2.68Å
87	I	91.5	Very high	89.3	Confident	92 Å²	92	117.8 Å²	117.8	47%	0.472	55%	0.549	S	S	.	.	H	α-helix	trans	-60.5	-47.6	175.6	-66.6	167.4	0	0	0	110.2	I83 Q84 I89 A90 E91	I83-I87 HydrophobicContact CG2-CD1 3.92Å; I83-I87 WeakPolarHBondContact O-CG1 3.41Å; I83-I87 PolarHBondContact O-N 3.28Å; Q84-I87 PolarHBondContact O-N 3.31Å; I87-I89 VanDerWaalsContact C-N 3.34Å; I87-I89 PolarHBondContact O-N 3.03Å; I87-A90 PolarHBondContact O-N 3.37Å; I87-E91 HydrophobicContact CG2-CG 4.46Å; I87-E91 WeakPolarHBondContact O-CG 3.41Å; I87-E91 PolarHBondContact O-N 3.43Å
88	L	87.8	Confident	89.3	Confident	120 Å²	120	117.6 Å²	117.6	63%	0.628	55%	0.545	S	S	*	.	H	α-helix	trans	-61.2	-40.9	179.4	-171.8	68.5	0	0	0	112.5	Q84 F92	Q84-L88 WeakPolarHBondContact O-CB 3.46Å; Q84-L88 PolarHBondContact O-N 2.96Å; L88-F92 WeakPolarHBondContact O-CB 3.32Å; L88-F92 PolarHBondContact O-N 3.38Å
89	I	87.9	Confident	89.2	Confident	76 Å²	76	115.8 Å²	115.8	39%	0.39	54%	0.541	S	S	.	.	H	α-helix	trans	-65.2	-43.1	175.4	-69.5	166	0	0	0	110.9	R85 Q86 I87 F92 Q93	R85-I89 HydrophobicContact CG-CD1 4Å; R85-I89 WeakPolarHBondContact O-CD1 3.48Å; R85-I89 VanDerWaalsContact O-CG1 3.27Å; R85-I89 WeakPolarHBondContact O-CG1 3.36Å; R85-I89 PolarHBondContact O-N 2.65Å; R85-I89 VanDerWaalsContact O-N 3.09Å; Q86-I89 PolarHBondContact O-N 2.96Å; I87-I89 VanDerWaalsContact C-N 3.34Å; I87-I89 PolarHBondContact O-N 3.03Å; I89-F92 PolarHBondContact O-N 2.98Å; I89-Q93 HydrophobicContact CG2-CG 4.41Å; I89-Q93 WeakPolarHBondContact O-CB 3.29Å; I89-Q93 VanDerWaalsContact O-CG 3.3Å; I89-Q93 WeakPolarHBondContact O-CG 3.34Å; I89-Q93 PolarHBondContact O-N 3.35Å
90	A	89.8	Confident	88.9	Confident	44 Å²	44	112.6 Å²	112.6	36%	0.364	53%	0.533	S	S	.	.	H	α-helix	trans	-68.1	-34.9	179.3	0	0	0	0	0	112.9	Q86 I87 R94	Q86-A90 WeakPolarHBondContact O-CB 3.3Å; Q86-A90 PolarHBondContact O-N 2.68Å; I87-A90 PolarHBondContact O-N 3.37Å; A90-R94 WeakPolarHBondContact O-CB 3.22Å; A90-R94 PolarHBondContact O-N 3.22Å
91	E	90.5	Very high	88.8	Confident	98 Å²	98	114 Å²	114	46%	0.458	54%	0.535	S	S	.	.	H	α-helix	trans	-69.1	-43	172.4	-72.3	-170.9	149.1	0	0	111.7	I87 R94 Q95	I87-E91 HydrophobicContact CG2-CG 4.46Å; I87-E91 WeakPolarHBondContact O-CG 3.41Å; I87-E91 PolarHBondContact O-N 3.43Å; E91-R94 PolarHBondContact O-N 2.94Å; E91-Q95 WeakPolarHBondContact O-CG 3.46Å; E91-Q95 PolarHBondContact O-N 3.12Å
92	F	89.9	Confident	88.7	Confident	143 Å²	143	111.6 Å²	111.6	63%	0.627	52%	0.524	S	S	*	.	H	α-helix	trans	-60.8	-46	174.8	-178.1	-96.4	0	0	0	112	L88 I89 R94 Q95 H96	L88-F92 WeakPolarHBondContact O-CB 3.32Å; L88-F92 PolarHBondContact O-N 3.38Å; I89-F92 PolarHBondContact O-N 2.98Å; F92-R94 PolarHBondContact O-N 3.47Å; F92-Q95 PolarHBondContact O-N 2.93Å; F92-H96 WeakPolarHBondContact O-CB 3.26Å; F92-H96 PolarHBondContact O-N 3.15Å
93	Q	87.8	Confident	88.5	Confident	120 Å²	120	110.9 Å²	110.9	56%	0.561	52%	0.52	S	S	*	.	H	α-helix	trans	-59.8	-44.1	175.5	-76.3	173.6	-23.2	0	0	111.9	I89 H96 E97	I89-Q93 HydrophobicContact CG2-CG 4.41Å; I89-Q93 WeakPolarHBondContact O-CB 3.29Å; I89-Q93 VanDerWaalsContact O-CG 3.3Å; I89-Q93 WeakPolarHBondContact O-CG 3.34Å; I89-Q93 PolarHBondContact O-N 3.35Å; Q93-H96 PolarHBondContact O-N 2.96Å; Q93-E97 WeakPolarHBondContact O-CB 3.45Å; Q93-E97 PolarHBondContact O-N 3.47Å
94	R	90.5	Very high	88.1	Confident	163 Å²	163	112 Å²	112	62%	0.615	52%	0.524	S	S	*	.	H	α-helix	trans	-64	-41	177	-170.1	-171.2	-60.3	153	4.1	112.3	A90 E91 F92 Q98	A90-R94 WeakPolarHBondContact O-CB 3.22Å; A90-R94 PolarHBondContact O-N 3.22Å; E91-R94 PolarHBondContact O-N 2.94Å; F92-R94 PolarHBondContact O-N 3.47Å; R94-Q98 WeakPolarHBondContact O-CB 3.43Å; R94-Q98 PolarHBondContact O-N 2.63Å
95	Q	87.6	Confident	88.1	Confident	132 Å²	132	109.2 Å²	109.2	62%	0.617	52%	0.521	S	S	*	.	H	α-helix	trans	-66.1	-42.4	175.9	-74.3	-178.5	-0.1	0	0	111.7	E91 F92 Q98 L99	E91-Q95 WeakPolarHBondContact O-CG 3.46Å; E91-Q95 PolarHBondContact O-N 3.12Å; F92-Q95 PolarHBondContact O-N 2.93Å; Q95-Q98 PolarHBondContact O-N 2.89Å; Q95-L99 WeakPolarHBondContact O-CB 3.44Å; Q95-L99 PolarHBondContact O-N 3.19Å
96	H	87.8	Confident	88	Confident	122 Å²	122	104.9 Å²	104.9	57%	0.565	51%	0.508	S	S	*	.	H	α-helix	trans	-63	-44.5	176.6	-175.9	77.6	0	0	0	111.9	F92 Q93 L99 S100	F92-H96 WeakPolarHBondContact O-CB 3.26Å; F92-H96 PolarHBondContact O-N 3.15Å; Q93-H96 PolarHBondContact O-N 2.96Å; H96-L99 PolarHBondContact O-N 3.2Å; H96-S100 WeakPolarHBondContact O-CB 3.5Å; H96-S100 PolarHBondContact O-N 3.04Å
97	E	87.9	Confident	87.6	Confident	98 Å²	98	103.2 Å²	103.2	46%	0.458	50%	0.503	S	S	.	.	H	α-helix	trans	-63	-42.9	175.2	-167.8	-171.6	-178.3	0	0	111.8	Q93 L99 S100 R101	Q93-E97 WeakPolarHBondContact O-CB 3.45Å; Q93-E97 PolarHBondContact O-N 3.47Å; E97-L99 PolarHBondContact O-N 3.43Å; E97-S100 PolarHBondContact O-N 2.93Å; E97-R101 WeakPolarHBondContact O-CG 3.29Å; E97-R101 PolarHBondContact O-N 3.06Å; E97-R101 IonicContact OE1-CZ 3.83Å; E97-R101 IonicContact OE1-NE 3.5Å; E97-R101 PolarHBondContact OE1-NE 2.81Å; E97-R101 IonicContact OE1-NH2 3.98Å; E97-R101 PolarHBondContact OE1-NH2 3.02Å
98	Q	90.7	Very high	87.3	Confident	113 Å²	113	104.5 Å²	104.5	53%	0.528	51%	0.507	S	S	.	.	H	α-helix	trans	-62.5	-41.2	176	-178.2	175.6	-7.8	0	0	112	R94 Q95 Q102	R94-Q98 WeakPolarHBondContact O-CB 3.43Å; R94-Q98 PolarHBondContact O-N 2.63Å; Q95-Q98 PolarHBondContact O-N 2.89Å; Q98-Q102 WeakPolarHBondContact O-CG 3.45Å; Q98-Q102 PolarHBondContact O-N 2.8Å; Q98-Q102 VanDerWaalsContact O-N 3.11Å
99	L	86.3	Confident	87.3	Confident	93 Å²	93	104.7 Å²	104.7	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-68.7	-40.4	178.3	-159.5	75.7	0	0	0	111.4	Q95 H96 E97 Q102 H103	Q95-L99 WeakPolarHBondContact O-CB 3.44Å; Q95-L99 PolarHBondContact O-N 3.19Å; H96-L99 PolarHBondContact O-N 3.2Å; E97-L99 PolarHBondContact O-N 3.43Å; L99-Q102 WeakPolarHBondContact O-CB 3.27Å; L99-Q102 PolarHBondContact O-N 3.45Å; L99-H103 PolarHBondContact O-N 3.23Å
100	S	82.5	Confident	87.1	Confident	66 Å²	66	106.3 Å²	106.3	46%	0.462	51%	0.51	S	S	.	.	H	α-helix	trans	-61.2	-47.8	175.8	-172.9	0	0	0	0	111.7	H96 E97 Q102 H103 E104	H96-S100 WeakPolarHBondContact O-CB 3.5Å; H96-S100 PolarHBondContact O-N 3.04Å; E97-S100 PolarHBondContact O-N 2.93Å; S100-Q102 VanDerWaalsContact C-N 3.27Å; S100-Q102 PolarHBondContact O-N 3.06Å; S100-H103 PolarHBondContact O-N 2.89Å; S100-H103 VanDerWaalsContact O-N 3.13Å; S100-E104 PolarHBondContact O-N 2.95Å
101	R	88.6	Confident	86.8	Confident	159 Å²	159	108 Å²	108	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-61.2	-32.7	174	-68.3	174.8	-175.3	-149.1	7	113	E97 A105	E97-R101 WeakPolarHBondContact O-CG 3.29Å; E97-R101 PolarHBondContact O-N 3.06Å; E97-R101 IonicContact OE1-CZ 3.83Å; E97-R101 IonicContact OE1-NE 3.5Å; E97-R101 PolarHBondContact OE1-NE 2.81Å; E97-R101 IonicContact OE1-NH2 3.98Å; E97-R101 PolarHBondContact OE1-NH2 3.02Å; R101-A105 WeakPolarHBondContact O-CB 3.17Å; R101-A105 PolarHBondContact O-N 2.97Å; R101-A105 VanDerWaalsContact O-N 3.14Å
102	Q	87.6	Confident	86.5	Confident	83 Å²	83	108.8 Å²	108.8	39%	0.388	51%	0.514	S	S	.	.	H	α-helix	trans	-70.6	-40.7	173.9	-76.5	179.6	-9.2	0	0	112.1	Q98 L99 S100 A105 Q106	Q98-Q102 WeakPolarHBondContact O-CG 3.45Å; Q98-Q102 PolarHBondContact O-N 2.8Å; Q98-Q102 VanDerWaalsContact O-N 3.11Å; L99-Q102 WeakPolarHBondContact O-CB 3.27Å; L99-Q102 PolarHBondContact O-N 3.45Å; S100-Q102 VanDerWaalsContact C-N 3.27Å; S100-Q102 PolarHBondContact O-N 3.06Å; Q102-A105 PolarHBondContact O-N 3.16Å; Q102-Q106 WeakPolarHBondContact O-CG 3.42Å; Q102-Q106 PolarHBondContact O-N 3.26Å
103	H	86.2	Confident	86.3	Confident	105 Å²	105	106.8 Å²	106.8	49%	0.486	51%	0.506	S	S	.	.	H	α-helix	trans	-65.3	-43.4	175.5	-177.4	63	0	0	0	112	L99 S100 A105 Q106 L107	L99-H103 PolarHBondContact O-N 3.23Å; S100-H103 PolarHBondContact O-N 2.89Å; S100-H103 VanDerWaalsContact O-N 3.13Å; H103-A105 VanDerWaalsContact C-N 3.34Å; H103-A105 PolarHBondContact O-N 3.28Å; H103-Q106 PolarHBondContact O-N 3.17Å; H103-L107 PolarHBondContact O-N 2.95Å
104	E	84.3	Confident	86.1	Confident	108 Å²	108	102.9 Å²	102.9	51%	0.505	49%	0.488	S	S	.	.	H	α-helix	trans	-59.3	-42.5	174.2	-176.5	179.5	-163.1	0	0	111.9	S100 L107 H108	S100-E104 PolarHBondContact O-N 2.95Å; E104-L107 PolarHBondContact O-N 3.04Å; E104-H108 PolarHBondContact O-N 3.47Å; E104-H108 PolarHBondContact O-ND1 2.88Å; E104-H108 IonicContact OE1-CE1 3.63Å
105	A	88.3	Confident	85.8	Confident	60 Å²	60	101.1 Å²	101.1	50%	0.496	49%	0.487	S	S	.	.	H	α-helix	trans	-64.7	-39.7	175.6	0	0	0	0	0	112.6	R101 Q102 H103 H108 E109	R101-A105 WeakPolarHBondContact O-CB 3.17Å; R101-A105 PolarHBondContact O-N 2.97Å; R101-A105 VanDerWaalsContact O-N 3.14Å; Q102-A105 PolarHBondContact O-N 3.16Å; H103-A105 VanDerWaalsContact C-N 3.34Å; H103-A105 PolarHBondContact O-N 3.28Å; A105-H108 PolarHBondContact O-N 3.39Å; A105-E109 PolarHBondContact O-N 2.94Å
106	Q	85.2	Confident	85.6	Confident	91 Å²	91	99.9 Å²	99.9	43%	0.425	48%	0.481	S	S	.	.	H	α-helix	trans	-65.4	-39.9	175.1	-74.7	-179.7	-17.6	0	0	112.4	Q102 H103 E109 H110 H485	Q102-Q106 WeakPolarHBondContact O-CG 3.42Å; Q102-Q106 PolarHBondContact O-N 3.26Å; H103-Q106 PolarHBondContact O-N 3.17Å; Q106-E109 PolarHBondContact O-N 3.38Å; Q106-H110 WeakPolarHBondContact O-CB 3.34Å; Q106-H110 PolarHBondContact O-N 3.31Å; Q106-H485 PolarHBondContact NE2-NE2 2.72Å
107	L	81.6	Confident	85.3	Confident	81 Å²	81	99.7 Å²	99.7	42%	0.424	48%	0.482	S	S	.	.	H	α-helix	trans	-60.3	-46.8	173.1	-86.1	164.7	0	0	0	111.6	H103 E104 E109 H110 I111	H103-L107 PolarHBondContact O-N 2.95Å; E104-L107 PolarHBondContact O-N 3.04Å; L107-E109 PolarHBondContact O-N 3.27Å; L107-H110 PolarHBondContact O-N 3.14Å; L107-I111 WeakPolarHBondContact O-CB 3.31Å; L107-I111 WeakPolarHBondContact O-CD1 3.47Å; L107-I111 VanDerWaalsContact O-CG1 3.25Å; L107-I111 WeakPolarHBondContact O-CG1 3.41Å; L107-I111 PolarHBondContact O-N 2.89Å
108	H	85.3	Confident	85	Confident	120 Å²	120	98.2 Å²	98.2	56%	0.556	48%	0.477	S	S	*	.	H	α-helix	trans	-61.5	-41.1	176.5	-78.5	88.8	0	0	0	112.6	E104 A105 K112	E104-H108 PolarHBondContact O-N 3.47Å; E104-H108 PolarHBondContact O-ND1 2.88Å; E104-H108 IonicContact OE1-CE1 3.63Å; A105-H108 PolarHBondContact O-N 3.39Å; H108-K112 WeakPolarHBondContact O-CB 3.31Å; H108-K112 PolarHBondContact O-N 3.3Å; H108-K112 VanDerWaalsContact O-N 3.09Å
109	E	86.2	Confident	84.8	Confident	123 Å²	123	96 Å²	96	58%	0.575	48%	0.477	S	S	*	.	H	α-helix	trans	-66.6	-41.9	175.8	-166.3	179.3	166.2	0	0	111.7	A105 Q106 L107 K112 Q113	A105-E109 PolarHBondContact O-N 2.94Å; Q106-E109 PolarHBondContact O-N 3.38Å; L107-E109 PolarHBondContact O-N 3.27Å; E109-K112 PolarHBondContact O-N 2.86Å; E109-Q113 WeakPolarHBondContact O-CG 3.33Å; E109-Q113 PolarHBondContact O-N 3.42Å; E109-Q113 PolarHBondContact OE1-NE2 3.26Å; E109-Q113 VanDerWaalsContact OE1-NE2 3.08Å
110	H	84.5	Confident	84.6	Confident	111 Å²	111	97 Å²	97	51%	0.514	48%	0.481	S	S	.	.	H	α-helix	trans	-64	-44.1	177.8	-174.3	-99.5	0	0	0	112.5	Q106 L107 K112 Q113 Q114	Q106-H110 WeakPolarHBondContact O-CB 3.34Å; Q106-H110 PolarHBondContact O-N 3.31Å; L107-H110 PolarHBondContact O-N 3.14Å; H110-K112 VanDerWaalsContact C-N 3.31Å; H110-K112 PolarHBondContact O-N 3.31Å; H110-Q113 PolarHBondContact O-N 2.9Å; H110-Q114 PolarHBondContact O-N 2.77Å
111	I	82.6	Confident	84.7	Confident	78 Å²	78	99.2 Å²	99.2	40%	0.4	48%	0.483	S	S	.	.	H	α-helix	trans	-60	-42.1	175.3	-69.4	164.2	0	0	0	110.4	L107 Q114 Q115	L107-I111 WeakPolarHBondContact O-CB 3.31Å; L107-I111 WeakPolarHBondContact O-CD1 3.47Å; L107-I111 VanDerWaalsContact O-CG1 3.25Å; L107-I111 WeakPolarHBondContact O-CG1 3.41Å; L107-I111 PolarHBondContact O-N 2.89Å; I111-Q114 PolarHBondContact O-N 3.49Å; I111-Q115 WeakPolarHBondContact O-CG 3.34Å; I111-Q115 PolarHBondContact O-N 2.81Å
112	K	85.9	Confident	84.5	Confident	115 Å²	115	97 Å²	97	50%	0.5	48%	0.479	S	S	.	.	H	α-helix	trans	-62.8	-45	175.3	-176.1	175.2	-177.9	-76.9	0	112.1	H108 E109 H110 Q114 Q115 E116	H108-K112 WeakPolarHBondContact O-CB 3.31Å; H108-K112 PolarHBondContact O-N 3.3Å; H108-K112 VanDerWaalsContact O-N 3.09Å; E109-K112 PolarHBondContact O-N 2.86Å; H110-K112 VanDerWaalsContact C-N 3.31Å; H110-K112 PolarHBondContact O-N 3.31Å; K112-Q114 VanDerWaalsContact C-N 3.32Å; K112-Q114 PolarHBondContact O-N 2.85Å; K112-Q115 PolarHBondContact O-N 3.43Å; K112-E116 IonicContact NZ-OE1 2.65Å; K112-E116 PolarHBondContact NZ-OE1 2.97Å; K112-E116 WeakPolarHBondContact O-CG 3.31Å; K112-E116 PolarHBondContact O-N 2.95Å
113	Q	85.4	Confident	84.4	Confident	101 Å²	101	99.1 Å²	99.1	47%	0.472	49%	0.488	S	S	.	.	H	α-helix	trans	-63	-37.2	176.1	-69.6	179.5	22.8	0	0	112	E109 H110 E116 M117	E109-Q113 WeakPolarHBondContact O-CG 3.33Å; E109-Q113 PolarHBondContact O-N 3.42Å; E109-Q113 PolarHBondContact OE1-NE2 3.26Å; E109-Q113 VanDerWaalsContact OE1-NE2 3.08Å; H110-Q113 PolarHBondContact O-N 2.9Å; Q113-E116 PolarHBondContact O-N 2.96Å; Q113-M117 WeakPolarHBondContact O-CB 3.42Å; Q113-M117 PolarHBondContact O-N 3.16Å
114	Q	82.8	Confident	84.3	Confident	39 Å²	39	99.4 Å²	99.4	18%	0.182	49%	0.49	C	S	.	.	H	α-helix	trans	-64.1	-43.3	173.7	-171.6	-177	5.1	0	0	111.8	H110 I111 K112 M117 L118	H110-Q114 PolarHBondContact O-N 2.77Å; I111-Q114 PolarHBondContact O-N 3.49Å; K112-Q114 VanDerWaalsContact C-N 3.32Å; K112-Q114 PolarHBondContact O-N 2.85Å; Q114-M117 PolarHBondContact O-N 3.3Å; Q114-L118 HydrophobicContact CG-CD1 4.27Å; Q114-L118 WeakPolarHBondContact O-CG 3.35Å; Q114-L118 PolarHBondContact O-N 3.25Å
115	Q	84.5	Confident	84.2	Confident	126 Å²	126	98.7 Å²	98.7	59%	0.589	49%	0.487	S	S	*	.	H	α-helix	trans	-63.5	-43.9	175.9	-71.4	175.4	5.1	0	0	112.2	I111 K112 M117 L118 A119	I111-Q115 WeakPolarHBondContact O-CG 3.34Å; I111-Q115 PolarHBondContact O-N 2.81Å; K112-Q115 PolarHBondContact O-N 3.43Å; Q115-M117 VanDerWaalsContact C-N 3.33Å; Q115-M117 PolarHBondContact O-N 2.91Å; Q115-L118 PolarHBondContact O-N 3.45Å; Q115-A119 WeakPolarHBondContact O-CB 3.41Å; Q115-A119 PolarHBondContact O-N 3.18Å
116	E	83.8	Confident	84	Confident	105 Å²	105	100.5 Å²	100.5	49%	0.491	49%	0.488	S	S	.	.	H	α-helix	trans	-62.3	-38.8	175.4	-72.8	176.3	-170.6	0	0	112	K112 Q113 M120	K112-E116 IonicContact NZ-OE1 2.65Å; K112-E116 PolarHBondContact NZ-OE1 2.97Å; K112-E116 WeakPolarHBondContact O-CG 3.31Å; K112-E116 PolarHBondContact O-N 2.95Å; Q113-E116 PolarHBondContact O-N 2.96Å; E116-M120 WeakPolarHBondContact O-CB 3.14Å; E116-M120 PolarHBondContact O-N 2.97Å
117	M	80.4	Confident	84	Confident	119 Å²	119	100.4 Å²	100.4	59%	0.586	49%	0.489	S	S	*	.	H	α-helix	trans	-67.9	-43	176.4	-174.8	-109.9	-70	0	0	112.6	Q113 Q114 Q115 M120 K121	Q113-M117 WeakPolarHBondContact O-CB 3.42Å; Q113-M117 PolarHBondContact O-N 3.16Å; Q114-M117 PolarHBondContact O-N 3.3Å; Q115-M117 VanDerWaalsContact C-N 3.33Å; Q115-M117 PolarHBondContact O-N 2.91Å; M117-M120 PolarHBondContact O-N 3.09Å; M117-K121 PolarHBondContact O-N 2.65Å
118	L	82.2	Confident	84	Confident	67 Å²	67	100.3 Å²	100.3	35%	0.351	49%	0.487	S	S	.	.	H	α-helix	trans	-63.4	-41.2	175.2	-72.9	170.5	0	0	0	111.8	Q114 Q115 K121 H122	Q114-L118 HydrophobicContact CG-CD1 4.27Å; Q114-L118 WeakPolarHBondContact O-CG 3.35Å; Q114-L118 PolarHBondContact O-N 3.25Å; Q115-L118 PolarHBondContact O-N 3.45Å; L118-K121 PolarHBondContact O-N 3.29Å; L118-H122 PolarHBondContact O-N 3.36Å
119	A	85.8	Confident	83.9	Confident	65 Å²	65	100 Å²	100	54%	0.537	49%	0.486	S	S	.	.	H	α-helix	trans	-62.4	-43.8	174.9	0	0	0	0	0	112.1	Q115 H122 Q123	Q115-A119 WeakPolarHBondContact O-CB 3.41Å; Q115-A119 PolarHBondContact O-N 3.18Å; A119-H122 PolarHBondContact O-N 2.99Å; A119-Q123 PolarHBondContact O-N 2.93Å
120	M	83.2	Confident	83.8	Confident	115 Å²	115	100.3 Å²	100.3	57%	0.567	49%	0.487	S	S	*	.	H	α-helix	trans	-63.9	-40.5	176.1	-168.1	-173.7	-60.5	0	0	112	E116 M117 Q123 Q124	E116-M120 WeakPolarHBondContact O-CB 3.14Å; E116-M120 PolarHBondContact O-N 2.97Å; M117-M120 PolarHBondContact O-N 3.09Å; M120-Q123 PolarHBondContact O-N 2.73Å; M120-Q124 PolarHBondContact O-N 3.46Å
121	K	83.5	Confident	83.9	Confident	113 Å²	113	102.2 Å²	102.2	49%	0.491	49%	0.49	S	S	.	.	H	α-helix	trans	-61.1	-46.7	175.9	-170.5	-169.5	179.7	-125	0	111.6	M117 L118 Q123 Q124 E125	M117-K121 PolarHBondContact O-N 2.65Å; L118-K121 PolarHBondContact O-N 3.29Å; K121-Q123 VanDerWaalsContact C-N 3.29Å; K121-Q123 PolarHBondContact O-N 2.9Å; K121-Q124 WeakPolarHBondContact O-CB 3.37Å; K121-Q124 PolarHBondContact O-N 3.38Å; K121-Q124 VanDerWaalsContact O-N 3.11Å; K121-E125 WeakPolarHBondContact CE-OE1 3.34Å; K121-E125 IonicContact NZ-OE1 3.8Å; K121-E125 PolarHBondContact NZ-OE1 3.44Å; K121-E125 WeakPolarHBondContact O-CG 3.48Å; K121-E125 PolarHBondContact O-N 3.42Å
122	H	84.8	Confident	83.9	Confident	112 Å²	112	104.1 Å²	104.1	52%	0.519	50%	0.495	S	S	.	.	H	α-helix	trans	-61.7	-38.2	177.6	-173.1	58.2	0	0	0	112.1	L118 A119 Q124 E125 L126	L118-H122 PolarHBondContact O-N 3.36Å; A119-H122 PolarHBondContact O-N 2.99Å; H122-Q124 PolarHBondContact O-N 2.74Å; H122-E125 PolarHBondContact O-N 3.48Å; H122-L126 WeakPolarHBondContact O-CG 3.36Å; H122-L126 PolarHBondContact O-N 2.84Å
123	Q	85.4	Confident	83.7	Confident	127 Å²	127	103.6 Å²	103.6	59%	0.593	50%	0.497	S	S	*	.	H	α-helix	trans	-63.9	-37.8	173.5	-167.7	177.7	39.7	0	0	112.6	A119 M120 K121 L127	A119-Q123 PolarHBondContact O-N 2.93Å; M120-Q123 PolarHBondContact O-N 2.73Å; K121-Q123 VanDerWaalsContact C-N 3.29Å; K121-Q123 PolarHBondContact O-N 2.9Å; Q123-L127 WeakPolarHBondContact O-CG 3.49Å; Q123-L127 PolarHBondContact O-N 3.24Å
124	Q	85.4	Confident	83.6	Confident	112 Å²	112	104.5 Å²	104.5	52%	0.523	50%	0.501	S	S	.	.	H	α-helix	trans	-66.3	-44.9	173.4	-179.3	177.3	-20	0	0	111.9	M120 K121 H122 L126 L127 E128	M120-Q124 PolarHBondContact O-N 3.46Å; K121-Q124 WeakPolarHBondContact O-CB 3.37Å; K121-Q124 PolarHBondContact O-N 3.38Å; K121-Q124 VanDerWaalsContact O-N 3.11Å; H122-Q124 PolarHBondContact O-N 2.74Å; Q124-L126 VanDerWaalsContact C-N 3.29Å; Q124-L126 PolarHBondContact O-N 2.97Å; Q124-L127 PolarHBondContact O-N 3.3Å; Q124-L127 VanDerWaalsContact O-N 3.15Å; Q124-E128 HydrophobicContact CG-CG 4.48Å; Q124-E128 PolarHBondContact NE2-OE1 2.83Å; Q124-E128 PolarHBondContact O-N 3.43Å
125	E	82.3	Confident	83.6	Confident	92 Å²	92	109.2 Å²	109.2	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-59.3	-40.2	178.7	-71.9	171.3	179.3	0	0	111.5	K121 H122 E128 H129	K121-E125 WeakPolarHBondContact CE-OE1 3.34Å; K121-E125 IonicContact NZ-OE1 3.8Å; K121-E125 PolarHBondContact NZ-OE1 3.44Å; K121-E125 WeakPolarHBondContact O-CG 3.48Å; K121-E125 PolarHBondContact O-N 3.42Å; H122-E125 PolarHBondContact O-N 3.48Å; E125-E128 PolarHBondContact O-N 3.04Å; E125-H129 WeakPolarHBondContact O-CB 3.43Å; E125-H129 PolarHBondContact O-N 2.9Å
126	L	83.4	Confident	83.5	Confident	98 Å²	98	108.2 Å²	108.2	51%	0.513	51%	0.513	S	S	.	.	H	α-helix	trans	-61.2	-46.1	172.5	-79.2	163.5	0	0	0	112.9	H122 Q124 H129 Q130	H122-L126 WeakPolarHBondContact O-CG 3.36Å; H122-L126 PolarHBondContact O-N 2.84Å; Q124-L126 VanDerWaalsContact C-N 3.29Å; Q124-L126 PolarHBondContact O-N 2.97Å; L126-H129 PolarHBondContact O-N 3.36Å; L126-Q130 PolarHBondContact O-N 2.97Å
127	L	84.1	Confident	83.6	Confident	89 Å²	89	111 Å²	111	47%	0.466	52%	0.519	S	S	.	.	H	α-helix	trans	-66.1	-36.7	177.7	-73	168.2	0	0	0	112.4	Q123 Q124 Q130 R131	Q123-L127 WeakPolarHBondContact O-CG 3.49Å; Q123-L127 PolarHBondContact O-N 3.24Å; Q124-L127 PolarHBondContact O-N 3.3Å; Q124-L127 VanDerWaalsContact O-N 3.15Å; L127-Q130 PolarHBondContact O-N 3.3Å; L127-R131 WeakPolarHBondContact O-CB 3.24Å; L127-R131 WeakPolarHBondContact O-CG 3.41Å; L127-R131 PolarHBondContact O-N 3.21Å
128	E	82.7	Confident	83.8	Confident	80 Å²	80	110.4 Å²	110.4	37%	0.374	51%	0.514	S	S	.	.	H	α-helix	trans	-69.4	-37.5	174.2	-77.1	-167.8	-151.1	0	0	112.7	Q124 E125 R131 K132	Q124-E128 HydrophobicContact CG-CG 4.48Å; Q124-E128 PolarHBondContact NE2-OE1 2.83Å; Q124-E128 PolarHBondContact O-N 3.43Å; E125-E128 PolarHBondContact O-N 3.04Å; E128-R131 PolarHBondContact O-N 3.36Å; E128-K132 VanDerWaalsContact O-CG 3.3Å; E128-K132 WeakPolarHBondContact O-CG 3.4Å; E128-K132 PolarHBondContact O-N 3.02Å
129	H	84.1	Confident	83.8	Confident	114 Å²	114	113.1 Å²	113.1	53%	0.528	53%	0.525	S	S	.	.	H	α-helix	trans	-62.7	-43.8	173.2	-174	-110.5	0	0	0	111.4	E125 L126 R131 K132 L133	E125-H129 WeakPolarHBondContact O-CB 3.43Å; E125-H129 PolarHBondContact O-N 2.9Å; L126-H129 PolarHBondContact O-N 3.36Å; H129-R131 PolarHBondContact O-N 3.05Å; H129-K132 WeakPolarHBondContact O-CB 3.42Å; H129-K132 PolarHBondContact O-N 3.04Å; H129-K132 VanDerWaalsContact O-N 3.1Å; H129-L133 PolarHBondContact O-N 3.43Å
130	Q	84	Confident	83.6	Confident	129 Å²	129	115.6 Å²	115.6	60%	0.603	53%	0.526	S	S	*	.	H	α-helix	trans	-60.9	-44.1	175.1	-162.9	172.4	52.3	0	0	111.8	L126 L127 K132 L133 E134	L126-Q130 PolarHBondContact O-N 2.97Å; L127-Q130 PolarHBondContact O-N 3.3Å; Q130-K132 VanDerWaalsContact C-N 3.27Å; Q130-K132 PolarHBondContact O-N 2.93Å; Q130-L133 PolarHBondContact O-N 2.92Å; Q130-E134 WeakPolarHBondContact O-CB 3.41Å; Q130-E134 PolarHBondContact O-N 3.28Å
131	R	85.4	Confident	83.6	Confident	151 Å²	151	114.3 Å²	114.3	57%	0.57	52%	0.518	S	S	*	.	H	α-helix	trans	-67.3	-17.7	173.6	-73.8	173.2	172.7	179.3	-1.3	114.8	L127 E128 H129 R135	L127-R131 WeakPolarHBondContact O-CB 3.24Å; L127-R131 WeakPolarHBondContact O-CG 3.41Å; L127-R131 PolarHBondContact O-N 3.21Å; E128-R131 PolarHBondContact O-N 3.36Å; H129-R131 PolarHBondContact O-N 3.05Å; R131-R135 PolarHBondContact O-NE 2.97Å
132	K	83.5	Confident	83.6	Confident	118 Å²	118	114 Å²	114	51%	0.513	52%	0.522	S	S	.	.	H	α-helix	trans	-82.7	-45.5	172.4	-75.4	166.3	-175	169	0	110.4	E128 H129 Q130 E134 R135 H136	E128-K132 VanDerWaalsContact O-CG 3.3Å; E128-K132 WeakPolarHBondContact O-CG 3.4Å; E128-K132 PolarHBondContact O-N 3.02Å; H129-K132 WeakPolarHBondContact O-CB 3.42Å; H129-K132 PolarHBondContact O-N 3.04Å; H129-K132 VanDerWaalsContact O-N 3.1Å; Q130-K132 VanDerWaalsContact C-N 3.27Å; Q130-K132 PolarHBondContact O-N 2.93Å; K132-E134 VanDerWaalsContact C-N 3.34Å; K132-E134 PolarHBondContact O-N 3.28Å; K132-R135 PolarHBondContact O-N 2.85Å; K132-H136 PolarHBondContact O-N 2.81Å
133	L	82	Confident	83.4	Confident	103 Å²	103	113.3 Å²	113.3	54%	0.539	52%	0.518	S	S	.	.	H	α-helix	trans	-57	-44.6	173	-82.1	161.9	0	0	0	112.4	H129 Q130 H136 R137	H129-L133 PolarHBondContact O-N 3.43Å; Q130-L133 PolarHBondContact O-N 2.92Å; L133-H136 PolarHBondContact O-N 3.29Å; L133-R137 PolarHBondContact O-N 3.49Å
134	E	82.4	Confident	83.4	Confident	121 Å²	121	113.1 Å²	113.1	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-67.1	-39.4	-179.2	-170	167.6	-135.2	0	0	112.8	Q130 K132 R137 Q138	Q130-E134 WeakPolarHBondContact O-CB 3.41Å; Q130-E134 PolarHBondContact O-N 3.28Å; K132-E134 VanDerWaalsContact C-N 3.34Å; K132-E134 PolarHBondContact O-N 3.28Å; E134-R137 PolarHBondContact O-N 3.04Å; E134-Q138 WeakPolarHBondContact O-CG 3.47Å; E134-Q138 PolarHBondContact O-N 3.37Å
135	R	82.5	Confident	83.3	Confident	138 Å²	138	113.4 Å²	113.4	52%	0.521	52%	0.517	S	S	.	.	H	α-helix	trans	-63.9	-47.6	172.4	-85.4	-178.6	-75.1	171.7	-7.5	112.4	R131 K132 R137 Q138 E139	R131-R135 PolarHBondContact O-NE 2.97Å; K132-R135 PolarHBondContact O-N 2.85Å; R135-R137 PolarHBondContact O-N 3.22Å; R135-Q138 PolarHBondContact O-N 3.43Å; R135-E139 WeakPolarHBondContact O-CG 3.3Å; R135-E139 PolarHBondContact O-N 2.7Å
136	H	83.5	Confident	83.3	Confident	105 Å²	105	114.1 Å²	114.1	49%	0.486	52%	0.52	S	S	.	.	H	α-helix	trans	-59.7	-33.9	177.8	-177.6	-95.6	0	0	0	112	K132 L133 Q140	K132-H136 PolarHBondContact O-N 2.81Å; L133-H136 PolarHBondContact O-N 3.29Å; H136-Q140 PolarHBondContact CE1-NE2 2.74Å; H136-Q140 VanDerWaalsContact CE1-NE2 3.27Å; H136-Q140 WeakPolarHBondContact O-CG 3.33Å; H136-Q140 PolarHBondContact O-N 2.88Å
137	R	84.8	Confident	83	Confident	163 Å²	163	116.4 Å²	116.4	62%	0.615	52%	0.522	S	S	*	.	H	α-helix	trans	-65.6	-46.7	171.3	-179.8	179	170.4	171.6	-2.3	112.4	L133 E134 R135 E139 Q140 E141	L133-R137 PolarHBondContact O-N 3.49Å; E134-R137 PolarHBondContact O-N 3.04Å; R135-R137 PolarHBondContact O-N 3.22Å; R137-E139 VanDerWaalsContact C-N 3.31Å; R137-E139 PolarHBondContact O-N 2.94Å; R137-Q140 PolarHBondContact O-N 3.38Å; R137-E141 IonicContact CZ-OE1 3.37Å; R137-E141 IonicContact NE-OE1 2.78Å; R137-E141 PolarHBondContact NE-OE1 2.89Å; R137-E141 IonicContact NH2-OE1 3.02Å; R137-E141 PolarHBondContact NH2-OE1 3.46Å; R137-E141 WeakPolarHBondContact O-CG 3.31Å; R137-E141 PolarHBondContact O-N 3.29Å
138	Q	84.3	Confident	82.8	Confident	106 Å²	106	116.4 Å²	116.4	50%	0.495	52%	0.519	S	S	.	.	H	α-helix	trans	-61.5	-39.4	177	-70	174.7	8.4	0	0	111.7	E134 R135 E141 L142	E134-Q138 WeakPolarHBondContact O-CG 3.47Å; E134-Q138 PolarHBondContact O-N 3.37Å; R135-Q138 PolarHBondContact O-N 3.43Å; Q138-E141 PolarHBondContact O-N 3.43Å; Q138-L142 WeakPolarHBondContact O-CB 3.23Å; Q138-L142 WeakPolarHBondContact O-CG 3.41Å; Q138-L142 PolarHBondContact O-N 3.04Å
139	E	82.7	Confident	82.7	Confident	124 Å²	124	118.1 Å²	118.1	58%	0.579	53%	0.527	S	S	*	.	H	α-helix	trans	-63.1	-42.8	174.7	-71.7	172.7	163.2	0	0	111.9	R135 R137 L142 E143	R135-E139 WeakPolarHBondContact O-CG 3.3Å; R135-E139 PolarHBondContact O-N 2.7Å; R137-E139 VanDerWaalsContact C-N 3.31Å; R137-E139 PolarHBondContact O-N 2.94Å; E139-L142 PolarHBondContact O-N 2.88Å; E139-E143 WeakPolarHBondContact O-CB 3.48Å; E139-E143 PolarHBondContact O-N 2.94Å
140	Q	82.2	Confident	82.4	Confident	117 Å²	117	118.6 Å²	118.6	55%	0.547	53%	0.528	S	S	.	.	H	α-helix	trans	-64.3	-39.9	173.4	-76	-169.8	-9.6	0	0	113.2	H136 R137 E143 K144	H136-Q140 PolarHBondContact CE1-NE2 2.74Å; H136-Q140 VanDerWaalsContact CE1-NE2 3.27Å; H136-Q140 WeakPolarHBondContact O-CG 3.33Å; H136-Q140 PolarHBondContact O-N 2.88Å; R137-Q140 PolarHBondContact O-N 3.38Å; Q140-E143 PolarHBondContact O-N 3.36Å; Q140-K144 WeakPolarHBondContact O-CB 3.45Å; Q140-K144 PolarHBondContact O-N 3.41Å
141	E	82.7	Confident	82	Confident	88 Å²	88	117.9 Å²	117.9	41%	0.411	53%	0.528	S	S	.	.	H	α-helix	trans	-66.3	-37.8	177.1	-72	-179.2	-165.2	0	0	111.3	R137 Q138 Q145	R137-E141 IonicContact CZ-OE1 3.37Å; R137-E141 IonicContact NE-OE1 2.78Å; R137-E141 PolarHBondContact NE-OE1 2.89Å; R137-E141 IonicContact NH2-OE1 3.02Å; R137-E141 PolarHBondContact NH2-OE1 3.46Å; R137-E141 WeakPolarHBondContact O-CG 3.31Å; R137-E141 PolarHBondContact O-N 3.29Å; Q138-E141 PolarHBondContact O-N 3.43Å; E141-Q145 WeakPolarHBondContact O-CG 3.18Å; E141-Q145 PolarHBondContact O-N 3.27Å; E141-Q145 VanDerWaalsContact O-N 3.09Å
142	L	83.7	Confident	81.5	Confident	108 Å²	108	116.7 Å²	116.7	57%	0.565	53%	0.529	S	S	*	.	H	α-helix	trans	-67.5	-43.7	172.1	-73.6	170.7	0	0	0	112.9	Q138 E139 K144 Q145 H146	Q138-L142 WeakPolarHBondContact O-CB 3.23Å; Q138-L142 WeakPolarHBondContact O-CG 3.41Å; Q138-L142 PolarHBondContact O-N 3.04Å; E139-L142 PolarHBondContact O-N 2.88Å; L142-K144 VanDerWaalsContact C-N 3.28Å; L142-K144 PolarHBondContact O-N 3.11Å; L142-Q145 PolarHBondContact O-N 3.43Å; L142-H146 PolarHBondContact O-N 3.45Å
143	E	80.6	Confident	80.8	Confident	96 Å²	96	117.5 Å²	117.5	45%	0.449	53%	0.534	S	S	.	.	H	α-helix	trans	-64.3	-37.3	178.3	-146.3	-129.8	137.7	0	0	111	E139 Q140 H146 R147	E139-E143 WeakPolarHBondContact O-CB 3.48Å; E139-E143 PolarHBondContact O-N 2.94Å; Q140-E143 PolarHBondContact O-N 3.36Å; E143-H146 PolarHBondContact O-N 2.94Å; E143-R147 WeakPolarHBondContact O-CG 3.35Å; E143-R147 PolarHBondContact O-N 3.01Å; E143-R147 IonicContact OE1-CZ 2.77Å; E143-R147 IonicContact OE1-NE 2.82Å; E143-R147 PolarHBondContact OE1-NE 3.33Å; E143-R147 IonicContact OE1-NH2 3.91Å; E143-R147 PolarHBondContact OE1-NH2 3.42Å; E143-R147 IonicContact OE2-CZ 3.58Å; E143-R147 IonicContact OE2-NE 3.67Å; E143-R147 IonicContact OE2-NH2 3.87Å; E143-R147 PolarHBondContact OE2-NH2 2.89Å
144	K	84.2	Confident	79.9	Confident	123 Å²	123	117.8 Å²	117.8	54%	0.535	54%	0.536	S	S	.	.	H	α-helix	trans	-60.8	-49.1	172.3	-172.1	-173.1	-178.8	-105.4	0	111.7	Q140 L142 H146 R147 E148	Q140-K144 WeakPolarHBondContact O-CB 3.45Å; Q140-K144 PolarHBondContact O-N 3.41Å; L142-K144 VanDerWaalsContact C-N 3.28Å; L142-K144 PolarHBondContact O-N 3.11Å; K144-H146 VanDerWaalsContact C-N 3.3Å; K144-H146 PolarHBondContact O-N 3.29Å; K144-R147 PolarHBondContact O-N 2.95Å; K144-E148 WeakPolarHBondContact CE-OE1 3.11Å; K144-E148 IonicContact NZ-OE1 2.67Å; K144-E148 PolarHBondContact NZ-OE1 3.08Å; K144-E148 WeakPolarHBondContact O-CG 3.26Å; K144-E148 PolarHBondContact O-N 3.11Å
145	Q	83.2	Confident	79	Confident	118 Å²	118	120.7 Å²	120.7	55%	0.551	55%	0.547	S	S	*	.	H	α-helix	trans	-59.6	-40.8	176.6	-72.6	178.7	24.7	0	0	111.9	E141 L142 E148 Q149	E141-Q145 WeakPolarHBondContact O-CG 3.18Å; E141-Q145 PolarHBondContact O-N 3.27Å; E141-Q145 VanDerWaalsContact O-N 3.09Å; L142-Q145 PolarHBondContact O-N 3.43Å; Q145-E148 PolarHBondContact O-N 2.82Å; Q145-Q149 PolarHBondContact O-N 3.4Å
146	H	83.7	Confident	78.1	Confident	108 Å²	108	120.6 Å²	120.6	50%	0.5	56%	0.557	S	S	.	*	H	α-helix	trans	-64	-41.9	176.3	-171.6	69.7	0	0	0	112	L142 E143 K144 Q149 K150	L142-H146 PolarHBondContact O-N 3.45Å; E143-H146 PolarHBondContact O-N 2.94Å; K144-H146 VanDerWaalsContact C-N 3.3Å; K144-H146 PolarHBondContact O-N 3.29Å; H146-Q149 PolarHBondContact O-N 2.97Å; H146-K150 WeakPolarHBondContact O-CB 3.3Å; H146-K150 PolarHBondContact O-N 2.86Å
147	R	77.2	Confident	76.7	Confident	146 Å²	146	123.5 Å²	123.5	55%	0.551	57%	0.568	S	S	*	*	H	α-helix	trans	-62.4	-41.4	173.1	-70.9	177.8	-173.5	-169.4	10.4	112.1	E143 K144 K150 L151	E143-R147 WeakPolarHBondContact O-CG 3.35Å; E143-R147 PolarHBondContact O-N 3.01Å; E143-R147 IonicContact OE1-CZ 2.77Å; E143-R147 IonicContact OE1-NE 2.82Å; E143-R147 PolarHBondContact OE1-NE 3.33Å; E143-R147 IonicContact OE1-NH2 3.91Å; E143-R147 PolarHBondContact OE1-NH2 3.42Å; E143-R147 IonicContact OE2-CZ 3.58Å; E143-R147 IonicContact OE2-NE 3.67Å; E143-R147 IonicContact OE2-NH2 3.87Å; E143-R147 PolarHBondContact OE2-NH2 2.89Å; K144-R147 PolarHBondContact O-N 2.95Å; R147-K150 PolarHBondContact O-N 2.71Å; R147-L151 WeakPolarHBondContact O-CG 3.24Å; R147-L151 PolarHBondContact O-N 3.43Å
148	E	80.3	Confident	75.1	Confident	88 Å²	88	124.4 Å²	124.4	41%	0.411	58%	0.579	S	S	.	*	H	α-helix	trans	-65.6	-42.9	177.9	-74.4	177	-171.8	0	0	112.4	K144 Q145 K150 L151 Q152	K144-E148 WeakPolarHBondContact CE-OE1 3.11Å; K144-E148 IonicContact NZ-OE1 2.67Å; K144-E148 PolarHBondContact NZ-OE1 3.08Å; K144-E148 WeakPolarHBondContact O-CG 3.26Å; K144-E148 PolarHBondContact O-N 3.11Å; Q145-E148 PolarHBondContact O-N 2.82Å; E148-K150 PolarHBondContact O-N 2.93Å; E148-L151 PolarHBondContact O-N 2.99Å; E148-Q152 WeakPolarHBondContact O-CG 3.36Å; E148-Q152 PolarHBondContact O-N 2.95Å
149	Q	80.5	Confident	73.3	Confident	116 Å²	116	129.7 Å²	129.7	54%	0.542	60%	0.6	S	S	.	*	H	α-helix	trans	-59.9	-44.4	171.3	-76.9	-170.6	-7.5	0	0	112.1	Q145 H146 L151 Q152 Q153	Q145-Q149 PolarHBondContact O-N 3.4Å; H146-Q149 PolarHBondContact O-N 2.97Å; Q149-L151 VanDerWaalsContact C-N 3.3Å; Q149-L151 PolarHBondContact O-N 2.95Å; Q149-Q152 PolarHBondContact O-N 2.93Å; Q149-Q152 VanDerWaalsContact O-N 3.14Å; Q149-Q153 WeakPolarHBondContact O-CG 3.28Å; Q149-Q153 PolarHBondContact O-N 3.47Å
150	K	77.7	Confident	72	Confident	124 Å²	124	126.9 Å²	126.9	54%	0.539	60%	0.604	S	S	.	*	H	α-helix	trans	-63.5	-36.3	180	-151.1	166.5	-170.3	169.2	0	111.6	H146 R147 E148 L154	H146-K150 WeakPolarHBondContact O-CB 3.3Å; H146-K150 PolarHBondContact O-N 2.86Å; R147-K150 PolarHBondContact O-N 2.71Å; E148-K150 PolarHBondContact O-N 2.93Å; K150-L154 WeakPolarHBondContact O-CG 3.2Å; K150-L154 PolarHBondContact O-N 2.91Å; K150-L154 VanDerWaalsContact O-N 3.17Å
151	L	75.1	Confident	70.4	Confident	115 Å²	115	130.8 Å²	130.8	60%	0.602	62%	0.62	S	S	*	*	H	α-helix	trans	-67.5	-40	171.5	-75.9	168.2	0	0	0	112.7	R147 E148 Q149 L154 K155	R147-L151 WeakPolarHBondContact O-CG 3.24Å; R147-L151 PolarHBondContact O-N 3.43Å; E148-L151 PolarHBondContact O-N 2.99Å; Q149-L151 VanDerWaalsContact C-N 3.3Å; Q149-L151 PolarHBondContact O-N 2.95Å; L151-L154 PolarHBondContact O-N 2.84Å; L151-K155 WeakPolarHBondContact O-CB 3.47Å; L151-K155 PolarHBondContact O-N 3.24Å
152	Q	73.9	Confident	68.3	Low	125 Å²	125	136.2 Å²	136.2	58%	0.584	65%	0.645	S	S	*	*	H	α-helix	trans	-65.2	-41.1	175.3	-72	177.3	-2.3	0	0	112.1	E148 Q149 L154 K155 N156	E148-Q152 WeakPolarHBondContact O-CG 3.36Å; E148-Q152 PolarHBondContact O-N 2.95Å; Q149-Q152 PolarHBondContact O-N 2.93Å; Q149-Q152 VanDerWaalsContact O-N 3.14Å; Q152-L154 VanDerWaalsContact C-N 3.29Å; Q152-L154 PolarHBondContact O-N 2.99Å; Q152-K155 PolarHBondContact O-N 3.33Å; Q152-N156 PolarHBondContact O-N 2.79Å
153	Q	69.7	Low	66.7	Low	135 Å²	135	135.9 Å²	135.9	63%	0.631	65%	0.651	S	S	*	*	H	α-helix	trans	-60.8	-36.3	173.6	-70	176.9	11.7	0	0	112.6	Q149	Q149-Q153 WeakPolarHBondContact O-CG 3.28Å; Q149-Q153 PolarHBondContact O-N 3.47Å
154	L	63.3	Low	65.2	Low	110 Å²	110	136.8 Å²	136.8	58%	0.576	68%	0.675	S	S	*	*	H	α-helix	trans	-72	-38.4	173.6	-71.5	169.1	0	0	0	112.3	K150 L151 Q152 N156 K157	K150-L154 WeakPolarHBondContact O-CG 3.2Å; K150-L154 PolarHBondContact O-N 2.91Å; K150-L154 VanDerWaalsContact O-N 3.17Å; L151-L154 PolarHBondContact O-N 2.84Å; Q152-L154 VanDerWaalsContact C-N 3.29Å; Q152-L154 PolarHBondContact O-N 2.99Å; L154-N156 VanDerWaalsContact C-N 3.27Å; L154-N156 PolarHBondContact O-N 2.8Å; L154-K157 PolarHBondContact O-N 3.01Å
155	K	64.2	Low	64.1	Low	182 Å²	182	136 Å²	136	79%	0.791	68%	0.681	S	S	*	*	H	α-helix	trans	-68.2	-26.1	179.2	-163.7	176.4	-177.3	-177.6	0	113	L151 Q152	L151-K155 WeakPolarHBondContact O-CB 3.47Å; L151-K155 PolarHBondContact O-N 3.24Å; Q152-K155 PolarHBondContact O-N 3.33Å
156	N	63.5	Low	63.4	Low	136 Å²	136	133 Å²	133	73%	0.727	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	4	177.2	-67.8	-3.7	0	0	0	113.6	Q152 L154	Q152-N156 PolarHBondContact O-N 2.79Å; L154-N156 VanDerWaalsContact C-N 3.27Å; L154-N156 PolarHBondContact O-N 2.8Å
157	K	52.4	Low	63.1	Low	165 Å²	165	130.2 Å²	130.2	72%	0.717	67%	0.669	S	S	*	*	S	Bend	trans	-77.8	126.2	173.4	-104.1	177.8	176.1	175.4	0	111.2	L154	L154-K157 PolarHBondContact O-N 3.01Å
158	E	51.2	Low	63	Low	182 Å²	182	128.7 Å²	128.7	85%	0.85	68%	0.676	S	S	*	*			trans	-61.9	144.7	-174.3	-165.7	173.6	-146.4	0	0	113.2	G160	E158-G160 PolarHBondContact O-N 2.97Å
159	K	47.5	Very low	62.8	Low	218 Å²	218	131.3 Å²	131.3	95%	0.948	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	10.6	-171.7	-72.8	-176	172.7	-179.4	0	116.1
160	G	55.1	Low	62.6	Low	64 Å²	64	129.7 Å²	129.7	66%	0.66	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	3.6	-161.9	0	0	0	0	0	117.9	E158	E158-G160 PolarHBondContact O-N 2.97Å
161	K	49.3	Very low	62.6	Low	200 Å²	200	129.9 Å²	129.9	87%	0.87	69%	0.687	S	S	*	*			trans	-137.9	92.3	-174	-67.1	-173.6	-178.9	175.4	0	113.6	S163	K161-S163 PolarHBondContact O-N 3.4Å
162	E	38.8	Very low	62.8	Low	202 Å²	202	130.7 Å²	130.7	94%	0.944	69%	0.689	S	S	*	*			trans	-68.2	118.6	168.2	-62.3	-175.2	141.2	0	0	110.7
163	S	49.3	Very low	63.1	Low	100 Å²	100	132 Å²	132	70%	0.699	69%	0.692	S	S	*	*			trans	-153.2	96	164.5	-161.4	0	0	0	0	109.3	K161 V165	K161-S163 PolarHBondContact O-N 3.4Å; S163-V165 PolarHBondContact O-N 3.36Å
164	A	49	Very low	63.6	Low	115 Å²	115	130.6 Å²	130.6	95%	0.95	69%	0.689	S	S	*	*			trans	-77.7	59	-175.9	0	0	0	0	0	112.3
165	V	61.3	Low	64.5	Low	107 Å²	107	131.3 Å²	131.3	65%	0.648	69%	0.689	S	S	*	*			trans	-96.9	106.1	175.4	-176.2	0	0	0	0	109	S163	S163-V165 PolarHBondContact O-N 3.36Å
166	A	67.5	Low	65.4	Low	54 Å²	54	128 Å²	128	45%	0.446	68%	0.677	S	S	.	*			trans	-58.2	143.9	173.3	0	0	0	0	0	111.4	V170	A166-V170 HydrophobicContact CB-CB 4.21Å; A166-V170 HydrophobicContact CB-CG1 3.97Å
167	S	78.2	Confident	66.3	Low	51 Å²	51	127.7 Å²	127.7	36%	0.357	67%	0.669	S	S	.	*			trans	-61.5	160.5	-175.6	83	0	0	0	0	112.5	E169 V170 K171	S167-E169 PolarHBondContact O-N 3.01Å; S167-E169 PolarHBondContact OG-N 3.28Å; S167-E169 PolarHBondContact OG-OE2 3.24Å; S167-V170 PolarHBondContact O-N 2.92Å; S167-V170 VanDerWaalsContact O-N 3.12Å; S167-V170 PolarHBondContact OG-N 3.03Å; S167-K171 PolarHBondContact O-N 2.9Å
168	T	75.7	Confident	67.7	Low	114 Å²	114	123.4 Å²	123.4	70%	0.699	66%	0.657	S	S	*	*	H	α-helix	trans	-54.9	-38	173.4	26.4	0	0	0	0	112.1	K171 M172	T168-K171 PolarHBondContact O-N 2.87Å; T168-M172 WeakPolarHBondContact O-CB 3.49Å; T168-M172 WeakPolarHBondContact O-CG 3.48Å; T168-M172 PolarHBondContact O-N 2.9Å
169	E	75.4	Confident	69.2	Low	143 Å²	143	119.1 Å²	119.1	67%	0.668	64%	0.639	S	S	*	*	H	α-helix	trans	-67.4	-39.1	176.4	-60	150.4	119.7	0	0	112.3	S167 M172 K173	S167-E169 PolarHBondContact O-N 3.01Å; S167-E169 PolarHBondContact OG-N 3.28Å; S167-E169 PolarHBondContact OG-OE2 3.24Å; E169-M172 PolarHBondContact O-N 3.15Å; E169-K173 PolarHBondContact O-N 2.71Å
170	V	76.3	Confident	70.9	Confident	81 Å²	81	113 Å²	113	49%	0.491	62%	0.617	S	S	.	*	H	α-helix	trans	-66.8	-40	174.8	176.6	0	0	0	0	110.6	A166 S167 L174	A166-V170 HydrophobicContact CB-CB 4.21Å; A166-V170 HydrophobicContact CB-CG1 3.97Å; S167-V170 PolarHBondContact O-N 2.92Å; S167-V170 VanDerWaalsContact O-N 3.12Å; S167-V170 PolarHBondContact OG-N 3.03Å; V170-L174 WeakPolarHBondContact O-CB 3.48Å; V170-L174 PolarHBondContact O-N 2.95Å
171	K	78	Confident	72.1	Confident	128 Å²	128	115.7 Å²	115.7	56%	0.557	61%	0.61	S	S	*	*	H	α-helix	trans	-62.7	-44.4	171.8	-82	-174	174.6	179.7	0	112.3	S167 T168 L174 Q175	S167-K171 PolarHBondContact O-N 2.9Å; T168-K171 PolarHBondContact O-N 2.87Å; K171-L174 PolarHBondContact O-N 3.44Å; K171-Q175 VanDerWaalsContact O-CB 3.26Å; K171-Q175 WeakPolarHBondContact O-CB 3.39Å; K171-Q175 PolarHBondContact O-N 3.05Å
172	M	79	Confident	73.6	Confident	132 Å²	132	113.3 Å²	113.3	65%	0.65	60%	0.6	S	S	*	*	H	α-helix	trans	-58.7	-54.9	177.1	-74.7	-85.1	-75.2	0	0	111.2	T168 E169 L174 Q175 E176	T168-M172 WeakPolarHBondContact O-CB 3.49Å; T168-M172 WeakPolarHBondContact O-CG 3.48Å; T168-M172 PolarHBondContact O-N 2.9Å; E169-M172 PolarHBondContact O-N 3.15Å; M172-L174 VanDerWaalsContact C-N 3.32Å; M172-L174 PolarHBondContact O-N 3.05Å; M172-Q175 PolarHBondContact O-N 3.24Å; M172-Q175 VanDerWaalsContact O-N 3.16Å; M172-E176 WeakPolarHBondContact O-CB 3.17Å; M172-E176 PolarHBondContact O-N 2.91Å
173	K	80.5	Confident	75.4	Confident	152 Å²	152	110 Å²	110	66%	0.661	58%	0.583	S	S	*	*	H	α-helix	trans	-64.5	-33.9	179.3	-72.9	-164.5	171.6	-170.7	0	112.9	E169 F177	E169-K173 PolarHBondContact O-N 2.71Å; K173-F177 WeakPolarHBondContact O-CB 3.4Å; K173-F177 PolarHBondContact O-N 2.89Å
174	L	80.4	Confident	76.6	Confident	107 Å²	107	108.2 Å²	108.2	56%	0.56	57%	0.573	S	S	*	*	H	α-helix	trans	-69.4	-38.4	174.3	-172	66	0	0	0	111.9	V170 K171 M172 V178	V170-L174 WeakPolarHBondContact O-CB 3.48Å; V170-L174 PolarHBondContact O-N 2.95Å; K171-L174 PolarHBondContact O-N 3.44Å; M172-L174 VanDerWaalsContact C-N 3.32Å; M172-L174 PolarHBondContact O-N 3.05Å; L174-V178 WeakPolarHBondContact O-CB 3.25Å; L174-V178 VanDerWaalsContact O-CG2 3.25Å; L174-V178 WeakPolarHBondContact O-CG2 3.25Å; L174-V178 PolarHBondContact O-N 3.37Å
175	Q	81.4	Confident	77.7	Confident	125 Å²	125	107.1 Å²	107.1	58%	0.584	55%	0.551	S	S	*	*	H	α-helix	trans	-66.2	-45.6	175.3	177.6	172.2	-22.1	0	0	111.4	K171 M172 V178 L179	K171-Q175 VanDerWaalsContact O-CB 3.26Å; K171-Q175 WeakPolarHBondContact O-CB 3.39Å; K171-Q175 PolarHBondContact O-N 3.05Å; M172-Q175 PolarHBondContact O-N 3.24Å; M172-Q175 VanDerWaalsContact O-N 3.16Å; Q175-V178 PolarHBondContact O-N 2.9Å; Q175-L179 HydrophobicContact CG-CD1 4.11Å; Q175-L179 WeakPolarHBondContact O-CB 3.28Å; Q175-L179 VanDerWaalsContact O-CG 3.28Å; Q175-L179 WeakPolarHBondContact O-CG 3.49Å; Q175-L179 PolarHBondContact O-N 3.34Å
176	E	82.8	Confident	78	Confident	112 Å²	112	104.9 Å²	104.9	52%	0.523	54%	0.544	S	S	.	.	H	α-helix	trans	-58.7	-48.7	173.1	-179.3	179.8	-148.7	0	0	111.7	M172 V178 L179 N180	M172-E176 WeakPolarHBondContact O-CB 3.17Å; M172-E176 PolarHBondContact O-N 2.91Å; E176-V178 VanDerWaalsContact C-N 3.34Å; E176-V178 PolarHBondContact O-N 3.1Å; E176-L179 PolarHBondContact O-N 2.95Å; E176-L179 VanDerWaalsContact O-N 3.16Å; E176-N180 PolarHBondContact O-N 2.69Å
177	F	82.3	Confident	77.7	Confident	129 Å²	129	109 Å²	109	57%	0.566	55%	0.554	S	S	*	*	H	α-helix	trans	-60.1	-41.1	176.1	-179.2	-99.9	0	0	0	112.4	K173 K181	K173-F177 WeakPolarHBondContact O-CB 3.4Å; K173-F177 PolarHBondContact O-N 2.89Å; F177-K181 HydrophobicContact CE1-CD 4.38Å; F177-K181 WeakPolarHBondContact O-CB 3.43Å; F177-K181 PolarHBondContact O-N 3.13Å
178	V	83	Confident	76.7	Confident	75 Å²	75	115.8 Å²	115.8	46%	0.455	57%	0.571	S	S	.	*	H	α-helix	trans	-67.5	-37.1	175.2	166.5	0	0	0	0	111.8	L174 Q175 E176 K182	L174-V178 WeakPolarHBondContact O-CB 3.25Å; L174-V178 VanDerWaalsContact O-CG2 3.25Å; L174-V178 WeakPolarHBondContact O-CG2 3.25Å; L174-V178 PolarHBondContact O-N 3.37Å; Q175-V178 PolarHBondContact O-N 2.9Å; E176-V178 VanDerWaalsContact C-N 3.34Å; E176-V178 PolarHBondContact O-N 3.1Å; V178-K182 WeakPolarHBondContact O-CB 3.49Å; V178-K182 PolarHBondContact O-N 3.37Å
179	L	82.6	Confident	75.5	Confident	93 Å²	93	116.6 Å²	116.6	49%	0.487	57%	0.572	S	S	.	*	H	α-helix	trans	-68.3	-46.7	176	-75.1	168.9	0	0	0	111.9	Q175 E176 K182 K183	Q175-L179 HydrophobicContact CG-CD1 4.11Å; Q175-L179 WeakPolarHBondContact O-CB 3.28Å; Q175-L179 VanDerWaalsContact O-CG 3.28Å; Q175-L179 WeakPolarHBondContact O-CG 3.49Å; Q175-L179 PolarHBondContact O-N 3.34Å; E176-L179 PolarHBondContact O-N 2.95Å; E176-L179 VanDerWaalsContact O-N 3.16Å; L179-K182 CarbonylContact O-C 3.6Å; L179-K182 WeakPolarHBondContact O-CB 3.44Å; L179-K182 PolarHBondContact O-N 2.91Å; L179-K182 VanDerWaalsContact O-N 3.16Å; L179-K183 PolarHBondContact O-N 3.44Å
180	N	82.6	Confident	74.5	Confident	89 Å²	89	117 Å²	117	48%	0.476	58%	0.578	S	S	.	*	H	α-helix	trans	-65.9	-38.2	175.9	-78.6	-12.5	0	0	0	111.7	E176 K182 K183 A184	E176-N180 PolarHBondContact O-N 2.69Å; N180-K182 VanDerWaalsContact C-N 3.33Å; N180-K182 PolarHBondContact O-N 2.85Å; N180-K183 PolarHBondContact O-N 3.25Å; N180-A184 WeakPolarHBondContact O-CB 3.22Å; N180-A184 PolarHBondContact O-N 3.47Å
181	K	81.5	Confident	72.9	Confident	121 Å²	121	119.6 Å²	119.6	53%	0.526	59%	0.589	S	S	.	*	H	α-helix	trans	-63.9	-36.1	171.5	-169.4	169.3	-176.7	175.1	0	112.2	F177 L185	F177-K181 HydrophobicContact CE1-CD 4.38Å; F177-K181 WeakPolarHBondContact O-CB 3.43Å; F177-K181 PolarHBondContact O-N 3.13Å; K181-L185 HydrophobicContact CG-CD1 4.2Å; K181-L185 WeakPolarHBondContact O-CB 3.48Å; K181-L185 VanDerWaalsContact O-CG 3.24Å; K181-L185 WeakPolarHBondContact O-CG 3.46Å; K181-L185 PolarHBondContact O-N 3.43Å
182	K	80.6	Confident	70.8	Confident	149 Å²	149	121.8 Å²	121.8	65%	0.648	60%	0.6	S	S	*	*	H	α-helix	trans	-66.7	-44.1	171.5	-97.9	-171.8	170.8	-175.3	0	112.7	V178 L179 N180 L185 A186	V178-K182 WeakPolarHBondContact O-CB 3.49Å; V178-K182 PolarHBondContact O-N 3.37Å; L179-K182 CarbonylContact O-C 3.6Å; L179-K182 WeakPolarHBondContact O-CB 3.44Å; L179-K182 PolarHBondContact O-N 2.91Å; L179-K182 VanDerWaalsContact O-N 3.16Å; N180-K182 VanDerWaalsContact C-N 3.33Å; N180-K182 PolarHBondContact O-N 2.85Å; K182-L185 PolarHBondContact O-N 2.68Å; K182-A186 WeakPolarHBondContact O-CB 3.48Å; K182-A186 PolarHBondContact O-N 3.29Å
183	K	76.5	Confident	68.6	Low	134 Å²	134	120.6 Å²	120.6	58%	0.583	60%	0.604	S	S	*	*	H	α-helix	trans	-58.1	-51.6	173.9	-76.9	-175.3	173.9	-177.3	0	110.9	L179 N180 L185 A186 H187	L179-K183 PolarHBondContact O-N 3.44Å; N180-K183 PolarHBondContact O-N 3.25Å; K183-L185 VanDerWaalsContact C-N 3.32Å; K183-L185 PolarHBondContact O-N 3.01Å; K183-A186 WeakPolarHBondContact O-CB 3.5Å; K183-A186 PolarHBondContact O-N 2.91Å; K183-H187 PolarHBondContact O-CD2 3.39Å; K183-H187 PolarHBondContact O-N 3.34Å
184	A	73.9	Confident	66.6	Low	61 Å²	61	121.3 Å²	121.3	50%	0.504	61%	0.612	S	S	.	*	H	α-helix	trans	-58.7	-40.8	178.8	0	0	0	0	0	112.7	N180 R188	N180-A184 WeakPolarHBondContact O-CB 3.22Å; N180-A184 PolarHBondContact O-N 3.47Å; A184-R188 VanDerWaalsContact O-CB 3.23Å; A184-R188 WeakPolarHBondContact O-CB 3.43Å; A184-R188 PolarHBondContact O-N 2.89Å; A184-R188 VanDerWaalsContact O-N 3.08Å
185	L	72.4	Confident	64.6	Low	92 Å²	92	122 Å²	122	48%	0.482	63%	0.625	S	S	.	*	H	α-helix	trans	-69.3	-33.8	174.2	-72.7	169.6	0	0	0	112.9	K181 K182 K183 N189	K181-L185 HydrophobicContact CG-CD1 4.2Å; K181-L185 WeakPolarHBondContact O-CB 3.48Å; K181-L185 VanDerWaalsContact O-CG 3.24Å; K181-L185 WeakPolarHBondContact O-CG 3.46Å; K181-L185 PolarHBondContact O-N 3.43Å; K182-L185 PolarHBondContact O-N 2.68Å; K183-L185 VanDerWaalsContact C-N 3.32Å; K183-L185 PolarHBondContact O-N 3.01Å; L185-N189 PolarHBondContact O-N 3.39Å; L185-N189 PolarHBondContact O-ND2 3.46Å
186	A	68	Low	62.4	Low	60 Å²	60	121.2 Å²	121.2	50%	0.496	63%	0.633	S	S	.	*	H	α-helix	trans	-67.8	-49.9	175.7	0	0	0	0	0	111.8	K182 K183 R188 N189	K182-A186 WeakPolarHBondContact O-CB 3.48Å; K182-A186 PolarHBondContact O-N 3.29Å; K183-A186 WeakPolarHBondContact O-CB 3.5Å; K183-A186 PolarHBondContact O-N 2.91Å; A186-R188 PolarHBondContact O-N 3.41Å; A186-N189 PolarHBondContact O-N 2.84Å
187	H	61.3	Low	60.2	Low	142 Å²	142	122.1 Å²	122.1	66%	0.657	64%	0.642	S	S	*	*	H	α-helix	trans	-59.4	-36.5	175.3	-70.9	-71.3	0	0	0	112.1	K183 N189 L190	K183-H187 PolarHBondContact O-CD2 3.39Å; K183-H187 PolarHBondContact O-N 3.34Å; H187-N189 VanDerWaalsContact C-N 3.29Å; H187-N189 PolarHBondContact O-N 2.87Å; H187-L190 PolarHBondContact O-N 2.99Å
188	R	57.2	Low	58	Low	193 Å²	193	120.9 Å²	120.9	73%	0.728	65%	0.647	S	S	*	*	H	α-helix	trans	-74.2	-12.2	177.2	-167	166.4	179.2	147.5	1.5	114.6	A184 A186	A184-R188 VanDerWaalsContact O-CB 3.23Å; A184-R188 WeakPolarHBondContact O-CB 3.43Å; A184-R188 PolarHBondContact O-N 2.89Å; A184-R188 VanDerWaalsContact O-N 3.08Å; A186-R188 PolarHBondContact O-N 3.41Å
189	N	50.2	Low	56.1	Low	131 Å²	131	126.6 Å²	126.6	70%	0.701	66%	0.661	S	S	*	*	H	α-helix	trans	-91.9	-9	173.5	-86.7	-81.9	0	0	0	113.8	L185 A186 H187	L185-N189 PolarHBondContact O-N 3.39Å; L185-N189 PolarHBondContact O-ND2 3.46Å; A186-N189 PolarHBondContact O-N 2.84Å; H187-N189 VanDerWaalsContact C-N 3.29Å; H187-N189 PolarHBondContact O-N 2.87Å
190	L	54.5	Low	54	Low	152 Å²	152	132.5 Å²	132.5	80%	0.796	68%	0.678	S	S	*	*	H	α-helix	trans	-87.3	-18.4	177.4	-122.6	71.7	0	0	0	113.9	H187	H187-L190 PolarHBondContact O-N 2.99Å
191	N	41.4	Very low	51.7	Low	135 Å²	135	139.4 Å²	139.4	72%	0.722	70%	0.697	S	S	*	*			trans	-123	87.1	-173.9	-71.6	-21	0	0	0	111.4
192	H	35.2	Very low	49.6	Very low	173 Å²	173	144.3 Å²	144.3	80%	0.801	71%	0.714	S	S	*	*			trans	-145.5	109.2	174.7	-122.3	30.7	0	0	0	113.8
193	C	32.6	Very low	47.4	Very low	108 Å²	108	140.4 Å²	140.4	73%	0.73	72%	0.716	S	S	*	*			trans	-151.2	92.4	165	-166.2	0	0	0	0	110.3
194	M	38.1	Very low	45.6	Very low	167 Å²	167	143.2 Å²	143.2	82%	0.823	73%	0.728	S	S	*	*			trans	65.6	155.8	173.6	-41.3	-51.8	126.6	0	0	115.2
195	S	38.1	Very low	43.7	Very low	121 Å²	121	146.3 Å²	146.3	85%	0.846	74%	0.741	S	S	*	*			cis	-135.4	-179.1	-3.2	-164.1	0	0	0	0	110.9
196	S	35.7	Very low	41.9	Very low	108 Å²	108	150.4 Å²	150.4	76%	0.755	76%	0.758	S	S	*	*			trans	-113.9	137.3	-163	57.6	0	0	0	0	116.7
197	D	36.9	Very low	40.4	Very low	131 Å²	131	155 Å²	155	70%	0.701	77%	0.768	S	S	*	*				-169.1	133.1	125.5	-167.8	8.9	0	0	0	109.9	R199	D197-R199 IonicContact OD1-NH2 2.73Å; D197-R199 PolarHBondContact OD1-NH2 3.03Å; D197-R199 IonicContact OD2-NH2 3.77Å; D197-R199 PolarHBondContact OD2-NH2 3.38Å
198	P	36	Very low	39.1	Very low	104 Å²	104	153.8 Å²	153.8	68%	0.675	78%	0.776	S	S	*	*			trans	-109.9	138.4	175.3	36.5	-29.8	0	0	0	114.3
199	R	42.6	Very low	38.2	Very low	195 Å²	195	148.9 Å²	148.9	74%	0.736	77%	0.772	S	S	*	*			trans	166.6	149.8	156.4	-91.8	155.6	-65.9	165.2	7.3	107.8	D197	D197-R199 IonicContact OD1-NH2 2.73Å; D197-R199 PolarHBondContact OD1-NH2 3.03Å; D197-R199 IonicContact OD2-NH2 3.77Å; D197-R199 PolarHBondContact OD2-NH2 3.38Å
200	Y	38.9	Very low	37.5	Very low	216 Å²	216	149.9 Å²	149.9	85%	0.847	78%	0.776	S	S	*	*			cis	-140.3	177.7	-5.1	-120.3	-63.4	0	0	0	109
201	W	34.2	Very low	36.5	Very low	235 Å²	235	148.6 Å²	148.6	89%	0.89	77%	0.77	S	S	*	*			trans	-100.3	167.9	-176	-89.6	79.3	0	0	0	114.3
202	Y	36.4	Very low	36.2	Very low	224 Å²	224	149.9 Å²	149.9	88%	0.878	77%	0.772	S	S	*	*			trans	93.8	128.3	144	-126.9	-96.6	0	0	0	120
203	G	36.2	Very low	36.1	Very low	67 Å²	67	147.2 Å²	147.2	69%	0.691	77%	0.772	S	S	*	*			trans	141	82	149.2	0	0	0	0	0	121.7
204	K	37.8	Very low	36.1	Very low	193 Å²	193	147.6 Å²	147.6	84%	0.839	78%	0.776	S	S	*	*			trans	47.4	107.1	142.1	-68.3	-176.5	174.8	-178.2	0	123.2
205	T	33.4	Very low	36.5	Very low	126 Å²	126	145.3 Å²	145.3	77%	0.773	77%	0.774	S	S	*	*				28.1	124.3	116.9	59.1	0	0	0	0	122.4
206	Q	35.5	Very low	36.6	Very low	177 Å²	177	145.1 Å²	145.1	83%	0.827	77%	0.77	S	S	*	*				-167.5	118.9	124.5	-77.8	-137.8	-14.9	0	0	108
207	H	36.2	Very low	36.5	Very low	156 Å²	156	148.9 Å²	148.9	72%	0.722	78%	0.776	S	S	*	*				75.9	112.7	92.2	-76.6	-69.1	0	0	0	117.8
208	S	34.4	Very low	36.4	Very low	117 Å²	117	148.5 Å²	148.5	82%	0.818	78%	0.783	S	S	*	*			trans	69.6	156.6	143.4	-59.4	0	0	0	0	118.1
209	S	38.1	Very low	36.1	Very low	91 Å²	91	146.8 Å²	146.8	64%	0.636	78%	0.784	S	S	*	*			cis	-176.4	143.6	-7	149.3	0	0	0	0	110.4
210	L	34.6	Very low	35.7	Very low	151 Å²	151	144.8 Å²	144.8	79%	0.791	79%	0.793	S	S	*	*			trans	63.4	159.4	161.4	-96.1	77.6	0	0	0	117.2
211	D	34.2	Very low	35.4	Very low	125 Å²	125	140.1 Å²	140.1	67%	0.668	79%	0.793	S	S	*	*			cis	-164.2	-179	-21.4	-147.7	-23.3	0	0	0	110.8
212	Q	34.3	Very low	35.3	Very low	163 Å²	163	133.1 Å²	133.1	76%	0.762	79%	0.785	S	S	*	*			trans	80.4	137.7	149.8	-77.5	171.2	60.1	0	0	123.4
213	S	34.1	Very low	35.2	Very low	116 Å²	116	127.2 Å²	127.2	81%	0.811	78%	0.776	S	S	*	*			trans	86.3	151.9	149	75	0	0	0	0	119.9
214	S	32.6	Very low	35	Very low	116 Å²	116	134.1 Å²	134.1	81%	0.811	78%	0.783	S	S	*	*			trans	-143.2	-162	-166.9	-48.2	0	0	0	0	111.4
215	P	47.3	Very low	34.8	Very low	120 Å²	120	132.4 Å²	132.4	78%	0.779	78%	0.783	S	S	*	*				-102.3	-177.2	-123.7	42.1	-29.5	0	0	0	115
216	P	38.9	Very low	35	Very low	116 Å²	116	134 Å²	134	75%	0.753	78%	0.781	S	S	*	*			trans	-144.5	139	131.7	36	-20.7	0	0	0	117.8
217	Q	33.3	Very low	35.1	Very low	188 Å²	188	131.3 Å²	131.3	88%	0.879	78%	0.779	S	S	*	*			trans	28.1	122.1	135.4	-60.4	176.4	-20	0	0	123.4
218	S	35.2	Very low	35	Very low	123 Å²	123	129.6 Å²	129.6	86%	0.86	78%	0.779	S	S	*	*			trans	169.5	154.6	137.1	35.1	0	0	0	0	108.6
219	G	30.9	Very low	34.9	Very low	68 Å²	68	132.3 Å²	132.3	70%	0.701	78%	0.783	S	S	*	*			cis	105.5	124.1	10.3	0	0	0	0	0	111
220	V	33.1	Very low	34.7	Very low	152 Å²	152	131.7 Å²	131.7	92%	0.921	79%	0.791	S	S	*	*			cis	-151.6	-177.3	3.3	-155.3	0	0	0	0	109.7
221	S	33.7	Very low	34.6	Very low	119 Å²	119	133 Å²	133	83%	0.832	80%	0.796	S	S	*	*			trans	-81.6	162.7	-164.2	-39.5	0	0	0	0	120.1
222	A	31.2	Very low	34.8	Very low	88 Å²	88	138.6 Å²	138.6	73%	0.727	81%	0.809	S	S	*	*			trans	-162.8	152.8	147.7	0	0	0	0	0	109
223	S	33.6	Very low	34.9	Very low	99 Å²	99	137.8 Å²	137.8	69%	0.692	81%	0.81	S	S	*	*			cis	79.1	130.1	11.4	79.6	0	0	0	0	116.9
224	Y	32.7	Very low	35.1	Very low	212 Å²	212	136.3 Å²	136.3	83%	0.831	81%	0.805	S	S	*	*			cis	-148.7	167.4	3.8	-99	-54.1	0	0	0	109.9
225	N	34.4	Very low	35.2	Very low	158 Å²	158	138.8 Å²	138.8	85%	0.845	80%	0.801	S	S	*	*				-178.5	161.2	84.1	-95	-54.7	0	0	0	114.7
226	H	36.7	Very low	34.9	Very low	160 Å²	160	139.6 Å²	139.6	74%	0.741	80%	0.799	S	S	*	*			trans	-115.4	165.3	174.5	-136.7	-72.7	0	0	0	110.3
227	P	38	Very low	34.9	Very low	120 Å²	120	141.1 Å²	141.1	78%	0.779	80%	0.8	S	S	*	*			trans	-120.6	163.6	140.3	-4.1	25.1	0	0	0	113.2
228	V	33.3	Very low	35	Very low	119 Å²	119	141.1 Å²	141.1	72%	0.721	80%	0.798	S	S	*	*			trans	-140.4	168.9	-168.1	-170.2	0	0	0	0	110.4
229	L	33.6	Very low	35.4	Very low	174 Å²	174	140 Å²	140	91%	0.911	79%	0.788	S	S	*	*			trans	96.5	144.1	161.3	-54.7	170.8	0	0	0	118.4
230	G	32.7	Very low	35.8	Very low	78 Å²	78	145 Å²	145	80%	0.804	80%	0.797	S	S	*	*			trans	144.8	94.5	163.7	0	0	0	0	0	114.9
231	M	33.3	Very low	36	Very low	178 Å²	178	148.7 Å²	148.7	88%	0.877	80%	0.795	S	S	*	*			trans	-81.2	155	167.5	-64.5	162.5	57.5	0	0	111.2
232	Y	38.8	Very low	36.2	Very low	243 Å²	243	153 Å²	153	95%	0.953	80%	0.799	S	S	*	*			trans	-169	151.7	133	-99.6	-65.2	0	0	0	111
233	D	34.9	Very low	36.4	Very low	147 Å²	147	155.4 Å²	155.4	79%	0.786	81%	0.805	S	S	*	*			trans	-126.3	139.1	174.5	166.7	38.6	0	0	0	109.3
234	A	38.5	Very low	36.6	Very low	84 Å²	84	155 Å²	155	69%	0.694	81%	0.807	S	S	*	*			trans	-173.7	105.8	158.9	0	0	0	0	0	113.2
235	K	35.4	Very low	36.9	Very low	168 Å²	168	150.5 Å²	150.5	73%	0.73	81%	0.807	S	S	*	*				65.8	142.9	118.9	-70.2	-81.1	179	171.2	0	123.2
236	D	40.4	Very low	37	Very low	137 Å²	137	151.6 Å²	151.6	73%	0.733	81%	0.807	S	S	*	*			trans	67.7	147.1	154.8	-47.8	-24.4	0	0	0	118.3
237	D	39	Very low	37.6	Very low	148 Å²	148	148.6 Å²	148.6	79%	0.791	80%	0.801	S	S	*	*			cis	-144.6	171.8	6.4	-152.5	-12.1	0	0	0	113.4
238	F	35.2	Very low	37.4	Very low	188 Å²	188	149.2 Å²	149.2	83%	0.825	80%	0.798	S	S	*	*			trans	-90.9	-158.3	-177.6	-88.7	-81.5	0	0	0	112.7
239	P	44.4	Very low	37.7	Very low	101 Å²	101	151.9 Å²	151.9	66%	0.656	81%	0.807	S	S	*	*				-123.8	-179.2	-60.4	34.2	-20	0	0	0	112.5
240	L	39.4	Very low	37.9	Very low	171 Å²	171	152 Å²	152	90%	0.895	80%	0.801	S	S	*	*				-179.4	148.7	117.4	-97.5	165.6	0	0	0	114.3
241	R	36.8	Very low	38.1	Very low	230 Å²	230	157 Å²	157	87%	0.868	81%	0.808	S	S	*	*			trans	-86.3	156	176.7	-62.8	171.4	172.8	153.9	-5	112.1
242	K	38.8	Very low	38.2	Very low	211 Å²	211	159 Å²	159	92%	0.917	81%	0.806	S	S	*	*				-164.5	153.5	122.5	-108.8	162.7	-173.2	177.7	0	114.1
243	T	33.9	Very low	38.4	Very low	138 Å²	138	153.3 Å²	153.3	85%	0.847	80%	0.802	S	S	*	*			trans	-123.3	138.4	-173.9	43.5	0	0	0	0	111.2
244	A	39.2	Very low	38.5	Very low	90 Å²	90	156.6 Å²	156.6	74%	0.744	80%	0.803	S	S	*	*			trans	-179.4	112.2	166.4	0	0	0	0	0	107.2
245	S	39.3	Very low	38.3	Very low	118 Å²	118	160.9 Å²	160.9	83%	0.825	81%	0.813	S	S	*	*				91.9	143.5	69.5	72.5	0	0	0	0	113.9
246	E	36.4	Very low	38.4	Very low	180 Å²	180	161.6 Å²	161.6	84%	0.841	82%	0.816	S	S	*	*			trans	-88.9	-154.8	-167.2	-42.6	-176.5	127.4	0	0	114
247	P	47.5	Very low	38.4	Very low	97 Å²	97	163.2 Å²	163.2	63%	0.63	82%	0.819	S	S	*	*				-126.7	-166.8	-62	25.7	-4.8	0	0	0	112.9
248	N	33.9	Very low	38.5	Very low	133 Å²	133	164.8 Å²	164.8	71%	0.711	82%	0.819	S	S	*	*			trans	73.1	121.1	158.1	-81.4	-82.8	0	0	0	119.6
249	L	40.2	Very low	38.4	Very low	175 Å²	175	162.7 Å²	162.7	92%	0.916	82%	0.822	S	S	*	*			trans	-147.1	139.3	140.8	-125.9	152.6	0	0	0	111.1
250	K	37.6	Very low	37.9	Very low	177 Å²	177	162 Å²	162	77%	0.77	82%	0.824	S	S	*	*			trans	-99.6	141.5	-172.2	-61.3	159.1	-177.7	164.5	0	110.1
251	L	38	Very low	37.8	Very low	183 Å²	183	163.3 Å²	163.3	96%	0.958	83%	0.825	S	S	*	*			trans	-139.8	144.3	150.6	-156	66.6	0	0	0	110.9
252	R	35.6	Very low	38.1	Very low	221 Å²	221	163.3 Å²	163.3	83%	0.834	83%	0.825	S	S	*	*			trans	-140.6	118.3	-167.6	-172.4	-171.9	-161.4	-175.8	8	108.8
253	S	41.7	Very low	38.1	Very low	123 Å²	123	164.9 Å²	164.9	86%	0.86	83%	0.826	S	S	*	*			trans	-136.4	146.9	170.8	-169.7	0	0	0	0	110.3
254	R	36.5	Very low	38.3	Very low	215 Å²	215	164 Å²	164	81%	0.811	83%	0.825	S	S	*	*			trans	-128.8	136.8	-177.3	-79.8	174.1	156.1	-179.5	-5.8	108.9
255	L	35.6	Very low	38.3	Very low	174 Å²	174	164.9 Å²	164.9	91%	0.911	83%	0.826	S	S	*	*			trans	-149.7	174.6	134.7	-151.5	43.4	0	0	0	111.6
256	K	37.9	Very low	38.6	Very low	184 Å²	184	165.7 Å²	165.7	80%	0.8	83%	0.828	S	S	*	*			trans	-112.7	177.5	-164.7	-62.9	178	174.4	179.4	0	112.3
257	Q	39.5	Very low	38.8	Very low	170 Å²	170	164.8 Å²	164.8	79%	0.794	83%	0.828	S	S	*	*			trans	76.6	146.8	159.2	-90.2	175.7	-26.7	0	0	115.8
258	K	41.1	Very low	38.5	Very low	182 Å²	182	167.5 Å²	167.5	79%	0.791	84%	0.837	S	S	*	*			cis	-147.8	162.5	7.1	-152.6	160.7	-177.6	178.8	0	111
259	V	34.1	Very low	38.9	Very low	144 Å²	144	171.2 Å²	171.2	87%	0.873	84%	0.841	S	S	*	*			trans	-88.8	128.8	174.3	173.9	0	0	0	0	110.6
260	A	33.6	Very low	39	Very low	85 Å²	85	173.8 Å²	173.8	70%	0.702	84%	0.838	S	S	*	*			trans	170.5	121.7	138.2	0	0	0	0	0	111.5
261	E	37.4	Very low	39.5	Very low	199 Å²	199	173 Å²	173	93%	0.93	84%	0.835	S	S	*	*				179.9	161.2	115.1	-98.6	-174.4	153.1	0	0	111.8
262	R	42.5	Very low	40	Very low	230 Å²	230	171 Å²	171	87%	0.868	83%	0.825	S	S	*	*			trans	-133.9	138.2	179.8	-85.1	-179	167.6	-176.5	-3.5	109.5
263	R	37.9	Very low	40.3	Very low	245 Å²	245	163.9 Å²	163.9	93%	0.925	82%	0.82	S	S	*	*			trans	58.3	121.5	158.7	-63.5	175.7	167.8	-163.6	-5	118.3
264	S	38.7	Very low	40.5	Very low	119 Å²	119	164.2 Å²	164.2	83%	0.832	82%	0.819	S	S	*	*			trans	-160.7	133	131.1	58	0	0	0	0	111.8
265	S	39.8	Very low	40.7	Very low	109 Å²	109	161.1 Å²	161.1	76%	0.762	82%	0.824	S	S	*	*			trans	-92	144.4	167.8	-46.4	0	0	0	0	109.8
266	P	44.5	Very low	41.1	Very low	134 Å²	134	156.2 Å²	156.2	87%	0.87	81%	0.809	S	S	*	*			trans	-70.3	139	-177.5	-19.9	33.6	0	0	0	114
267	L	41	Very low	41.1	Very low	161 Å²	161	154.1 Å²	154.1	84%	0.843	81%	0.812	S	S	*	*			trans	-122.3	178.6	176.4	-97.4	174	0	0	0	111.4
268	L	41.3	Very low	41.3	Very low	154 Å²	154	150.3 Å²	150.3	81%	0.806	81%	0.809	S	S	*	*			trans	104.5	133.8	165.8	-57.9	166.7	0	0	0	113.9
269	R	43.3	Very low	41.4	Very low	212 Å²	212	149.2 Å²	149.2	80%	0.8	81%	0.811	S	S	*	*			cis	-137.5	168.1	22.9	-62.2	169.4	-179.6	103.2	1.7	108.5
270	R	41.1	Very low	41.8	Very low	229 Å²	229	150.9 Å²	150.9	86%	0.864	81%	0.807	S	S	*	*			cis	-165.1	-174.1	10.9	-130.4	169.5	-172	160.2	0.1	105.7
271	K	48.9	Very low	42.2	Very low	161 Å²	161	154.6 Å²	154.6	70%	0.7	81%	0.807	S	S	*	*			cis	-161.5	146	-0.2	167.5	-176.6	171.5	-172.6	0	106.6
272	D	47.5	Very low	42.4	Very low	141 Å²	141	155.4 Å²	155.4	75%	0.754	80%	0.802	S	S	*	*			trans	33.2	142.9	159.7	-44.9	-5.9	0	0	0	121.2
273	G	42.4	Very low	42.6	Very low	71 Å²	71	149.5 Å²	149.5	73%	0.732	79%	0.793	S	S	*	*			cis	-170.6	177	2.3	0	0	0	0	0	112.3
274	P	45.8	Very low	42.8	Very low	129 Å²	129	144.8 Å²	144.8	84%	0.838	79%	0.785	S	S	*	*			trans	-126.2	167.2	-155.5	42	-30.4	0	0	0	118.4
275	V	41.6	Very low	42.8	Very low	150 Å²	150	145.6 Å²	145.6	91%	0.909	78%	0.78	S	S	*	*			trans	162.8	154	151.5	143.4	0	0	0	0	111.6
276	A	42.9	Very low	42.8	Very low	72 Å²	72	146 Å²	146	60%	0.595	78%	0.778	S	S	*	*			cis	-166.7	133.2	-39.7	0	0	0	0	0	114.3
277	T	39.1	Very low	42.5	Very low	139 Å²	139	145 Å²	145	85%	0.853	77%	0.769	S	S	*	*			trans	58.9	124.7	138.6	60.3	0	0	0	0	126.5
278	A	43.5	Very low	42.3	Very low	90 Å²	90	144.6 Å²	144.6	74%	0.744	77%	0.768	S	S	*	*			trans	176.5	119.2	130.7	0	0	0	0	0	111.8
279	L	43.7	Very low	42.1	Very low	160 Å²	160	142.9 Å²	142.9	84%	0.838	77%	0.769	S	S	*	*				72	142.2	86.2	-64.3	170	0	0	0	115.5
280	K	41.7	Very low	41.9	Very low	178 Å²	178	137 Å²	137	77%	0.774	77%	0.766	S	S	*	*			cis	-171.5	131.6	24.7	-147.2	178	-173.1	178.2	0	115.2
281	K	41.9	Very low	41.7	Very low	164 Å²	164	131.8 Å²	131.8	71%	0.713	76%	0.763	S	S	*	*			trans	45.8	159.5	136.6	-60.2	-176.1	178.8	-178.1	0	122.9
282	R	42	Very low	41	Very low	216 Å²	216	129.3 Å²	129.3	82%	0.815	77%	0.766	S	S	*	*			cis	-165.4	170.7	10.3	-130.2	169.8	-179.9	167.2	-4.2	113.7
283	P	46.4	Very low	40.6	Very low	106 Å²	106	128.8 Å²	128.8	69%	0.688	77%	0.774	S	S	*	*			trans	-129.6	-158.3	-173.7	43.3	-25.9	0	0	0	117.3
284	L	42.2	Very low	40.2	Very low	145 Å²	145	129.9 Å²	129.9	76%	0.759	78%	0.776	S	S	*	*			trans	121.3	159.5	173.9	-84.4	61	0	0	0	112.4
285	D	38.2	Very low	39.9	Very low	137 Å²	137	130.1 Å²	130.1	73%	0.733	78%	0.777	S	S	*	*			cis	-176.8	172	-14.9	-94.4	1.2	0	0	0	109.3
286	V	40	Very low	39.8	Very low	118 Å²	118	126.7 Å²	126.7	72%	0.715	77%	0.772	S	S	*	*			cis	-173.7	169.4	-24.8	72.5	0	0	0	0	113
287	T	37.6	Very low	39.7	Very low	111 Å²	111	129.5 Å²	129.5	68%	0.681	79%	0.788	S	S	*	*			trans	75	121.9	162.5	45.2	0	0	0	0	127.2
288	D	36.9	Very low	39.8	Very low	154 Å²	154	126.6 Å²	126.6	82%	0.824	79%	0.785	S	S	*	*				76.5	126.3	127.4	-58.5	-7.8	0	0	0	129.3
289	S	38.3	Very low	40	Very low	118 Å²	118	128 Å²	128	83%	0.825	79%	0.787	S	S	*	*			trans	115.1	103.4	131.1	-151.1	0	0	0	0	123.1
290	A	37.6	Very low	39.5	Very low	88 Å²	88	126 Å²	126	73%	0.727	79%	0.786	S	S	*	*			trans	64.9	143.9	135.3	0	0	0	0	0	126.3
291	C	36.9	Very low	39.8	Very low	119 Å²	119	122.8 Å²	122.8	80%	0.804	79%	0.786	S	S	*	*			trans	84.7	105	152.5	-71.4	0	0	0	0	123.4
292	S	34.8	Very low	40	Very low	110 Å²	110	120.8 Å²	120.8	77%	0.769	79%	0.79	S	S	*	*			trans	80.9	150.9	132.5	-56.7	0	0	0	0	122.4
293	S	38.6	Very low	39.8	Very low	130 Å²	130	117.7 Å²	117.7	91%	0.909	79%	0.789	S	S	*	*			trans	87.8	146.4	170.7	-49	0	0	0	0	117.9
294	A	34.1	Very low	39.3	Very low	94 Å²	94	117.5 Å²	117.5	78%	0.777	79%	0.791	S	S	*	*			trans	-128.8	-176.4	177.3	0	0	0	0	0	109
295	P	40.5	Very low	39.2	Very low	133 Å²	133	115.4 Å²	115.4	86%	0.864	79%	0.788	S	S	*	*			cis	-112.5	177.7	-21.9	39	-27.2	0	0	0	111.5
296	G	39.3	Very low	39.3	Very low	79 Å²	79	114.8 Å²	114.8	81%	0.814	79%	0.794	S	S	*	*			trans	-165.3	132.6	175.6	0	0	0	0	0	115.9
297	S	41.5	Very low	39.3	Very low	131 Å²	131	112.4 Å²	112.4	92%	0.916	79%	0.794	S	S	*	*			trans	-75.4	134.5	173.4	-49	0	0	0	0	111.7
298	G	39.5	Very low	39.2	Very low	77 Å²	77	114.7 Å²	114.7	79%	0.794	80%	0.802	S	S	*	*			trans	-92.3	138.6	174.5	0	0	0	0	0	112.7
299	P	47.6	Very low	39.3	Very low	121 Å²	121	113.2 Å²	113.2	79%	0.786	80%	0.798	S	S	*	*			trans	-111.3	166.1	-163.1	40.7	-35.1	0	0	0	116.2
300	S	33.7	Very low	39.2	Very low	118 Å²	118	112.5 Å²	112.5	83%	0.825	79%	0.793	S	S	*	*			trans	-70.2	144.4	168.2	-45	0	0	0	0	112.7
301	S	47.9	Very low	39.2	Very low	109 Å²	109	114.4 Å²	114.4	76%	0.762	80%	0.796	S	S	*	*			trans	-171.9	160.1	173.2	-87.1	0	0	0	0	112.1
302	P	47.4	Very low	39.2	Very low	123 Å²	123	116.3 Å²	116.3	80%	0.799	79%	0.793	S	S	*	*			cis	-139.4	179.7	-31.3	39.1	-21.6	0	0	0	115.2
303	N	37	Very low	39.4	Very low	150 Å²	150	118.1 Å²	118.1	80%	0.802	79%	0.794	S	S	*	*			trans	-58.3	174.2	178.2	-172.8	27.4	0	0	0	117.1
304	S	36	Very low	39.3	Very low	103 Å²	103	115.2 Å²	115.2	72%	0.72	78%	0.784	S	S	*	*			trans	-135.9	116.7	160.9	-72.7	0	0	0	0	113.1
305	S	39.9	Very low	39.5	Very low	101 Å²	101	118.7 Å²	118.7	71%	0.706	79%	0.788	S	S	*	*			trans	-15.3	159	156	50.2	0	0	0	0	120.3
306	S	40.5	Very low	39.3	Very low	123 Å²	123	116.7 Å²	116.7	86%	0.86	78%	0.783	S	S	*	*			cis	-179.1	173.6	-8.3	-86.6	0	0	0	0	108.2
307	G	38.8	Very low	39.2	Very low	68 Å²	68	117.9 Å²	117.9	70%	0.701	78%	0.776	S	S	*	*			cis	160.3	172.3	-5.8	0	0	0	0	0	113.5
308	N	36.9	Very low	39	Very low	159 Å²	159	117.8 Å²	117.8	85%	0.85	77%	0.771	S	S	*	*			trans	69.3	110.3	164.5	-76.4	13.5	0	0	0	124.9
309	V	38.1	Very low	38.9	Very low	123 Å²	123	120.4 Å²	120.4	75%	0.745	77%	0.771	S	S	*	*				44	124.2	126.7	-155.4	0	0	0	0	122.1
310	S	37.1	Very low	38.5	Very low	104 Å²	104	119.7 Å²	119.7	73%	0.727	77%	0.766	S	S	*	*				165.3	111.1	116.9	-68.8	0	0	0	0	116.4
311	T	36.9	Very low	38.6	Very low	127 Å²	127	119.5 Å²	119.5	78%	0.779	77%	0.765	S	S	*	*			trans	22.6	129.5	140.8	50.6	0	0	0	0	125
312	E	38.1	Very low	37.9	Very low	160 Å²	160	120.6 Å²	120.6	75%	0.748	77%	0.767	S	S	*	*				97.6	128.9	123.2	-171.3	170.1	164.8	0	0	123.4
313	N	38.2	Very low	37.4	Very low	147 Å²	147	120.8 Å²	120.8	79%	0.786	77%	0.768	S	S	*	*			trans	56.7	146.5	164.5	-59	-25.2	0	0	0	120.9
314	G	36.5	Very low	37.3	Very low	69 Å²	69	118.2 Å²	118.2	71%	0.711	77%	0.768	S	S	*	*			cis	171.3	146.9	-12.5	0	0	0	0	0	116.3
315	I	38.3	Very low	37.2	Very low	168 Å²	168	121.8 Å²	121.8	86%	0.862	77%	0.773	S	S	*	*			trans	72.7	99.8	150.9	-48.1	176.9	0	0	0	122.6
316	A	35.1	Very low	36.8	Very low	90 Å²	90	123.4 Å²	123.4	74%	0.744	78%	0.779	S	S	*	*				51.2	179.4	125.8	0	0	0	0	0	123.1
317	P	39.2	Very low	36.3	Very low	105 Å²	105	122.3 Å²	122.3	68%	0.682	77%	0.771	S	S	*	*			cis	-140.4	156.6	-8.8	40.1	-21.1	0	0	0	119.5
318	T	36	Very low	35.9	Very low	129 Å²	129	126.4 Å²	126.4	79%	0.791	78%	0.776	S	S	*	*			trans	61.8	162.8	150.4	53.8	0	0	0	0	120.8
319	V	38.3	Very low	35.6	Very low	132 Å²	132	122.8 Å²	122.8	80%	0.8	77%	0.768	S	S	*	*			cis	-143.4	-168.6	24.9	-130.3	0	0	0	0	111.9
320	P	38.2	Very low	35.3	Very low	105 Å²	105	125.8 Å²	125.8	68%	0.682	77%	0.774	S	S	*	*			trans	-135.3	-173.4	-131.1	45.5	-24.9	0	0	0	120.2
321	S	35.4	Very low	34.8	Very low	115 Å²	115	132.1 Å²	132.1	80%	0.804	78%	0.782	S	S	*	*			trans	76.8	151.7	162.2	79.4	0	0	0	0	117.8
322	T	34.8	Very low	34.4	Very low	131 Å²	131	134 Å²	134	80%	0.804	79%	0.786	S	S	*	*			cis	-128.9	170.6	6.5	44.3	0	0	0	0	112.7
323	P	36.7	Very low	34	Very low	128 Å²	128	132 Å²	132	83%	0.831	79%	0.785	S	S	*	*			trans	-112.3	158.6	-163.9	40.3	-32.8	0	0	0	117.2
324	A	34.7	Very low	33.4	Very low	96 Å²	96	131.5 Å²	131.5	79%	0.793	79%	0.788	S	S	*	*			trans	-151.7	139.9	155.5	0	0	0	0	0	111.6
325	E	33.6	Very low	33	Very low	177 Å²	177	139.7 Å²	139.7	83%	0.827	80%	0.797	S	S	*	*			trans	15.9	115.8	164.1	-52.5	-174.1	157.6	0	0	119.8
326	T	31.4	Very low	32.5	Very low	135 Å²	135	140.7 Å²	140.7	83%	0.828	80%	0.798	S	S	*	*				67.8	142.4	57.1	68.6	0	0	0	0	116.7
327	S	29.9	Very low	32.2	Very low	100 Å²	100	139.6 Å²	139.6	70%	0.699	80%	0.795	S	S	*	*			cis	-176.2	178.1	-21	-169.5	0	0	0	0	109.5
328	L	31	Very low	31.6	Very low	154 Å²	154	140.4 Å²	140.4	81%	0.806	80%	0.804	S	S	*	*			trans	71.8	114.3	165.6	-50.9	-179.4	0	0	0	116.3
329	A	31.3	Very low	31.4	Very low	83 Å²	83	140.8 Å²	140.8	69%	0.686	81%	0.806	S	S	*	*				87.4	117	57	0	0	0	0	0	111.9
330	H	30.2	Very low	31.1	Very low	187 Å²	187	138.4 Å²	138.4	87%	0.866	80%	0.799	S	S	*	*				51.9	125	63.1	-84.1	-88.5	0	0	0	114.9
331	R	26.6	Very low	31.1	Very low	236 Å²	236	138.3 Å²	138.3	89%	0.891	80%	0.799	S	S	*	*			trans	81.4	84.8	179	-55.7	-175.4	175.1	-155.2	0.5	118.1
332	L	28.6	Very low	31	Very low	166 Å²	166	139.2 Å²	139.2	87%	0.869	79%	0.794	S	S	*	*				-139.8	115.4	125	-75.4	-177.8	0	0	0	106
333	V	29.3	Very low	30.9	Very low	120 Å²	120	136.4 Å²	136.4	73%	0.727	78%	0.778	S	S	*	*				83.9	121.7	64.3	171.8	0	0	0	0	111.9
334	T	26.1	Very low	30.7	Very low	136 Å²	136	135.9 Å²	135.9	83%	0.834	77%	0.768	S	S	*	*			trans	-47.5	136.4	178.2	45.3	0	0	0	0	114.8
335	R	29	Very low	30.6	Very low	240 Å²	240	140.6 Å²	140.6	91%	0.906	77%	0.766	S	S	*	*			trans	-152.6	133.6	153.1	-172.2	175.4	176.9	-178.1	-1.1	109.9
336	E	26.8	Very low	30.5	Very low	189 Å²	189	134.9 Å²	134.9	88%	0.883	74%	0.743	S	S	*	*			trans	-67.4	140.3	173.6	-64.3	150.5	124.3	0	0	110.7
337	G	28.3	Very low	30.4	Very low	67 Å²	67	130.8 Å²	130.8	69%	0.691	72%	0.721	S	S	*	*			trans	-133.7	117.6	179.1	0	0	0	0	0	110.2	V339	G337-V339 PolarHBondContact O-N 3.06Å
338	S	27.4	Very low	30.5	Very low	123 Å²	123	132 Å²	132	86%	0.86	73%	0.726	S	S	*	*			trans	-64.5	130.3	-177.1	-172	0	0	0	0	111.8	A340	S338-A340 PolarHBondContact O-N 3.45Å
339	V	32.1	Very low	30.7	Very low	137 Å²	137	129.4 Å²	129.4	83%	0.83	72%	0.72	S	S	*	*			trans	-82.6	103.5	170.6	-178.9	0	0	0	0	108	G337	G337-V339 PolarHBondContact O-N 3.06Å
340	A	31.4	Very low	31	Very low	81 Å²	81	128.6 Å²	128.6	67%	0.669	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-85.2	126.3	170	0	0	0	0	0	109.6	S338	S338-A340 PolarHBondContact O-N 3.45Å
341	P	38	Very low	31.1	Very low	104 Å²	104	124.5 Å²	124.5	68%	0.675	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-69.3	145.4	174.9	29.3	-33.9	0	0	0	111
342	L	33.5	Very low	31.3	Very low	133 Å²	133	117.7 Å²	117.7	70%	0.696	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-99.2	128	170.3	-70.4	168.5	0	0	0	108.6
343	P	32.1	Very low	31.7	Very low	72 Å²	72	113.6 Å²	113.6	47%	0.468	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-75	128.9	169.6	30.9	-31.8	0	0	0	109.4
344	L	33.9	Very low	32	Very low	117 Å²	117	112.2 Å²	112.2	61%	0.613	65%	0.646	S	S	*	*			trans	-134.5	110.5	178.6	-72.4	178.4	0	0	0	110.9
345	Y	31.6	Very low	32.5	Very low	196 Å²	196	112.9 Å²	112.9	77%	0.769	64%	0.644	S	S	*	*			trans	36.5	93.3	151.7	-149.3	-95.2	0	0	0	118.7
346	T	31.1	Very low	32.7	Very low	56 Å²	56	105.2 Å²	105.2	34%	0.344	64%	0.639	S	S	.	*			trans	-80.9	158.9	157.8	48.8	0	0	0	0	111.1	L350	T346-L350 PolarHBondContact OG1-O 2.96Å
347	S	30.8	Very low	32.9	Very low	50 Å²	50	103.8 Å²	103.8	35%	0.35	64%	0.637	S	S	.	*			trans	-58.5	157.9	176.9	-72.5	0	0	0	0	113.4	S349 L350	S347-S349 PolarHBondContact O-N 3.28Å; S347-L350 PolarHBondContact O-N 3.49Å
348	P	30.9	Very low	33.3	Very low	126 Å²	126	105.9 Å²	105.9	82%	0.818	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	4.8	-169.4	-23.5	35.4	0	0	0	117.5
349	S	36.2	Very low	33.6	Very low	98 Å²	98	105 Å²	105	69%	0.685	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	-9.8	-175.8	45.4	0	0	0	0	114.4	S347	S347-S349 PolarHBondContact O-N 3.28Å
350	L	37.8	Very low	33.6	Very low	66 Å²	66	105.1 Å²	105.1	35%	0.346	64%	0.64	S	S	.	*	S	Bend	trans	-133.9	146.1	-167.3	-69.4	171.3	0	0	0	114.7	T346 S347 P865	T346-L350 PolarHBondContact OG1-O 2.96Å; S347-L350 PolarHBondContact O-N 3.49Å; L350-P865 WeakPolarHBondContact CD1-O 3.39Å
351	P	31.8	Very low	33.6	Very low	102 Å²	102	104.4 Å²	104.4	66%	0.662	64%	0.64	S	S	*	*			trans	-68.8	153.6	176	30.5	-35.2	0	0	0	112.5	I353	P351-I353 PolarHBondContact O-N 3.17Å
352	N	31.1	Very low	33.3	Very low	93 Å²	93	105.9 Å²	105.9	50%	0.497	65%	0.649	S	S	.	*			trans	-71.6	87.5	-172.9	-178.1	16.5	0	0	0	113	T354	N352-T354 PolarHBondContact O-N 3.22Å
353	I	36.9	Very low	33.3	Very low	79 Å²	79	104.5 Å²	104.5	41%	0.405	66%	0.658	S	S	.	*			trans	-70.5	108.6	177.9	-51.7	-179	0	0	0	110	P351	P351-I353 PolarHBondContact O-N 3.17Å
354	T	35.1	Very low	33.4	Very low	91 Å²	91	106.4 Å²	106.4	56%	0.558	68%	0.679	S	S	*	*			trans	-87.4	128.9	171.5	-59.6	0	0	0	0	110	N352 G356	N352-T354 PolarHBondContact O-N 3.22Å; T354-G356 PolarHBondContact O-N 3.26Å
355	L	36.1	Very low	33.3	Very low	151 Å²	151	104.5 Å²	104.5	79%	0.791	69%	0.688	S	S	*	*			trans	-50.7	110.4	176.7	-72.4	167.1	0	0	0	111.7	L357	L355-L357 PolarHBondContact O-N 3.45Å
356	G	33.8	Very low	33.3	Very low	79 Å²	79	100 Å²	100	81%	0.814	69%	0.692	S	S	*	*			trans	-74.6	112.3	-172	0	0	0	0	0	113.6	T354	T354-G356 PolarHBondContact O-N 3.26Å
357	L	32.1	Very low	33.4	Very low	158 Å²	158	102.4 Å²	102.4	83%	0.827	72%	0.716	S	S	*	*			trans	-85.7	143.4	160.7	-75.1	170	0	0	0	110	L355	L355-L357 PolarHBondContact O-N 3.45Å
358	P	36.7	Very low	33.6	Very low	112 Å²	112	103.4 Å²	103.4	73%	0.727	74%	0.735	S	S	*	*			trans	-67.2	135.6	-177.5	27.2	-34.8	0	0	0	112.2	T360	P358-T360 PolarHBondContact O-N 2.98Å; P358-T360 VanDerWaalsContact O-N 3.14Å
359	A	31.8	Very low	33.7	Very low	105 Å²	105	105.3 Å²	105.3	87%	0.868	73%	0.733	S	S	*	*			trans	-72.9	103.6	179.2	0	0	0	0	0	111.5	G361	A359-G361 PolarHBondContact O-N 3Å; A359-G361 VanDerWaalsContact O-N 3.11Å
360	T	32.3	Very low	33.8	Very low	139 Å²	139	108 Å²	108	85%	0.853	74%	0.735	S	S	*	*			trans	-74.5	97.6	174.9	44.5	0	0	0	0	111	P358	P358-T360 PolarHBondContact O-N 2.98Å; P358-T360 VanDerWaalsContact O-N 3.14Å
361	G	32.6	Very low	33.6	Very low	65 Å²	65	111.4 Å²	111.4	67%	0.67	75%	0.753	S	S	*	*			trans	-65.3	140.8	175.7	0	0	0	0	0	112.9	A359	A359-G361 PolarHBondContact O-N 3Å; A359-G361 VanDerWaalsContact O-N 3.11Å
362	P	31.3	Very low	33.8	Very low	135 Å²	135	110.5 Å²	110.5	88%	0.877	75%	0.754	S	S	*	*			trans	-82.5	122.8	-177.6	31.5	-33.5	0	0	0	112.2
363	A	33.2	Very low	34	Very low	105 Å²	105	112.8 Å²	112.8	87%	0.868	76%	0.762	S	S	*	*			trans	-129.5	97.3	175.5	0	0	0	0	0	111.8
364	A	33.5	Very low	33.9	Very low	111 Å²	111	118.8 Å²	118.8	92%	0.917	78%	0.78	S	S	*	*			trans	-144.6	98.9	170.1	0	0	0	0	0	108.9
365	G	32.6	Very low	34	Very low	77 Å²	77	122.1 Å²	122.1	79%	0.794	79%	0.793	S	S	*	*			trans	-157.9	14.2	-161.1	0	0	0	0	0	119
366	A	32.2	Very low	33.8	Very low	103 Å²	103	118.9 Å²	118.9	85%	0.851	79%	0.788	S	S	*	*			trans	56.7	137.5	159.5	0	0	0	0	0	122.7
367	A	33.5	Very low	33.9	Very low	105 Å²	105	123.3 Å²	123.3	87%	0.868	79%	0.792	S	S	*	*			trans	92.4	122.9	142.6	0	0	0	0	0	121.3
368	G	33.4	Very low	34.1	Very low	71 Å²	71	121.1 Å²	121.1	73%	0.732	79%	0.788	S	S	*	*			trans	91.3	144.9	161	0	0	0	0	0	116.3
369	Q	34.9	Very low	33.8	Very low	166 Å²	166	120.2 Å²	120.2	78%	0.776	79%	0.789	S	S	*	*			cis	-167.2	139.1	-23.5	-146.1	167.9	-45.1	0	0	108.9
370	Q	36.2	Very low	34	Very low	155 Å²	155	122.3 Å²	122.3	72%	0.724	79%	0.785	S	S	*	*			trans	65	150.2	170.3	-69.3	159	-36.3	0	0	115.9
371	D	35.4	Very low	34.1	Very low	137 Å²	137	122.7 Å²	122.7	73%	0.733	78%	0.777	S	S	*	*			cis	-149.8	177.9	-7.2	-116	-32.9	0	0	0	111.4
372	A	34.7	Very low	34.3	Very low	84 Å²	84	126.1 Å²	126.1	69%	0.694	78%	0.776	S	S	*	*			trans	5.6	145.9	161.9	0	0	0	0	0	121.6
373	E	35.2	Very low	34.4	Very low	141 Å²	141	130.1 Å²	130.1	66%	0.659	77%	0.773	S	S	*	*			cis	-160.4	160.2	16.9	-137.1	-176.5	135.4	0	0	113.9
374	R	35.6	Very low	34.3	Very low	205 Å²	205	132 Å²	132	77%	0.774	77%	0.768	S	S	*	*			trans	23.1	138.4	150	-76.2	176.1	-177.6	139.6	-7.6	120.5
375	L	36.4	Very low	34.3	Very low	160 Å²	160	131.7 Å²	131.7	84%	0.838	76%	0.759	S	S	*	*			cis	-157.3	162.7	29.3	-120	153.7	0	0	0	111.2
376	A	31.6	Very low	34.4	Very low	83 Å²	83	135.4 Å²	135.4	69%	0.686	76%	0.759	S	S	*	*			trans	-144.8	168.4	-178	0	0	0	0	0	112
377	L	36.2	Very low	34.2	Very low	173 Å²	173	139.7 Å²	139.7	91%	0.906	76%	0.759	S	S	*	*			trans	-168	143.9	148.6	-104	163.6	0	0	0	111.7
378	P	36.6	Very low	34.4	Very low	112 Å²	112	140.5 Å²	140.5	73%	0.727	76%	0.755	S	S	*	*			trans	-133.8	171.7	-166.9	45	-30	0	0	0	118.4
379	A	31.4	Very low	34.4	Very low	92 Å²	92	140.2 Å²	140.2	76%	0.76	75%	0.752	S	S	*	*			trans	21.3	144.9	145.2	0	0	0	0	0	125
380	L	34.1	Very low	34.4	Very low	149 Å²	149	138.2 Å²	138.2	78%	0.78	75%	0.752	S	S	*	*			trans	-132.5	131.4	151.2	-97.7	97.1	0	0	0	108.4
381	Q	35.6	Very low	34.4	Very low	147 Å²	147	139.1 Å²	139.1	69%	0.687	76%	0.756	S	S	*	*				79.9	137.3	69.3	-81.2	-172.3	-45.7	0	0	114.3
382	Q	36.1	Very low	34.4	Very low	137 Å²	137	139.6 Å²	139.6	64%	0.64	76%	0.758	S	S	*	*			cis	-170.4	177.5	-2.5	-140.6	177	26	0	0	113.7
383	R	33.1	Very low	34.1	Very low	219 Å²	219	141.5 Å²	141.5	83%	0.826	76%	0.761	S	S	*	*			trans	82.1	125.6	166.8	-56	-177.8	-178.2	-167.4	-0.5	117.5
384	I	32.5	Very low	34.4	Very low	146 Å²	146	139.4 Å²	139.4	75%	0.749	76%	0.759	S	S	*	*			cis	101.9	135.7	8	-51.7	165	0	0	0	116.6
385	S	32.2	Very low	34.2	Very low	104 Å²	104	139.4 Å²	139.4	73%	0.727	76%	0.761	S	S	*	*			trans	100.8	144.2	171	-62.9	0	0	0	0	116.4
386	L	34.5	Very low	34.1	Very low	154 Å²	154	138.7 Å²	138.7	81%	0.806	76%	0.757	S	S	*	*			cis	-159.4	-171.7	-6.4	-120.2	171.8	0	0	0	113.2
387	F	29.6	Very low	34	Very low	193 Å²	193	139.3 Å²	139.3	85%	0.846	76%	0.756	S	S	*	*			trans	-136	-174.4	177.6	-86.8	-80.6	0	0	0	109.4
388	P	37.4	Very low	33.8	Very low	122 Å²	122	138.1 Å²	138.1	79%	0.792	76%	0.756	S	S	*	*			cis	-129	170.5	4.9	42	-24.3	0	0	0	116
389	G	32.8	Very low	33.6	Very low	65 Å²	65	137.9 Å²	137.9	67%	0.67	76%	0.757	S	S	*	*				119	175.1	93.4	0	0	0	0	0	111.7
390	T	34.1	Very low	34.1	Very low	125 Å²	125	138.3 Å²	138.3	77%	0.767	75%	0.753	S	S	*	*			cis	-171.3	174.2	-18.8	6	0	0	0	0	111.1
391	H	36.4	Very low	34.3	Very low	173 Å²	173	138.1 Å²	138.1	80%	0.801	75%	0.751	S	S	*	*			trans	87.9	167.5	170.6	-61.3	-76.6	0	0	0	120.4
392	L	35.6	Very low	34.4	Very low	148 Å²	148	138.1 Å²	138.1	78%	0.775	75%	0.751	S	S	*	*			trans	-152.9	138.7	-135.7	-75.9	169.9	0	0	0	117.4
393	T	29.5	Very low	34.4	Very low	124 Å²	124	141.4 Å²	141.4	76%	0.761	76%	0.758	S	S	*	*			trans	74.8	175.3	139.6	66	0	0	0	0	119.2
394	P	40.2	Very low	34.5	Very low	97 Å²	97	138.1 Å²	138.1	63%	0.63	76%	0.757	S	S	*	*				-142.6	-161.8	-96	40.9	-17.3	0	0	0	116.8
395	Y	32.8	Very low	34.6	Very low	204 Å²	204	134.6 Å²	134.6	80%	0.8	76%	0.756	S	S	*	*			trans	106.9	125.1	156.1	-68.7	-64.2	0	0	0	122.2
396	L	33.2	Very low	34.7	Very low	146 Å²	146	133.4 Å²	133.4	76%	0.764	76%	0.76	S	S	*	*			trans	73.2	113.2	133.6	-65.3	168	0	0	0	125.3
397	S	29.5	Very low	34.7	Very low	95 Å²	95	131.1 Å²	131.1	66%	0.664	76%	0.764	S	S	*	*				93.8	153.6	116.4	-66.2	0	0	0	0	124.8
398	T	33	Very low	34.9	Very low	148 Å²	148	126.1 Å²	126.1	91%	0.908	76%	0.758	S	S	*	*			trans	91.2	162.7	164.3	71.9	0	0	0	0	120.7
399	S	32.3	Very low	34.6	Very low	107 Å²	107	129.2 Å²	129.2	75%	0.748	76%	0.762	S	S	*	*			trans	-146.9	-154.1	-153.8	59.3	0	0	0	0	110.2
400	P	42.1	Very low	34.4	Very low	102 Å²	102	133.9 Å²	133.9	66%	0.662	77%	0.771	S	S	*	*			cis	-138	-154.4	-10.2	28.4	-0.4	0	0	0	114.6
401	L	38.5	Very low	34.6	Very low	144 Å²	144	132.6 Å²	132.6	75%	0.754	77%	0.765	S	S	*	*			trans	78.7	145	169.8	-83.4	84.4	0	0	0	119
402	E	36.1	Very low	34.4	Very low	147 Å²	147	131.7 Å²	131.7	69%	0.687	77%	0.766	S	S	*	*			cis	-161.8	165.2	-19.9	-142	-173.3	-123.4	0	0	113.8
403	R	36.9	Very low	34	Very low	206 Å²	206	132.3 Å²	132.3	78%	0.777	77%	0.769	S	S	*	*			trans	77.6	100.3	150.8	-93.6	-177.9	163.4	-166.9	-5.3	125
404	D	35.8	Very low	34.2	Very low	151 Å²	151	135.3 Å²	135.3	81%	0.807	77%	0.774	S	S	*	*				91.1	143	113.3	-128.6	-25.6	0	0	0	123.2
405	G	35	Very low	33.5	Very low	71 Å²	71	138.6 Å²	138.6	73%	0.732	78%	0.781	S	S	*	*			trans	115.4	71.1	154.9	0	0	0	0	0	122
406	G	33.2	Very low	33.2	Very low	79 Å²	79	136.2 Å²	136.2	81%	0.814	78%	0.779	S	S	*	*			trans	115.9	89.2	137.1	0	0	0	0	0	123.2
407	A	34.8	Very low	33	Very low	107 Å²	107	134.7 Å²	134.7	88%	0.884	78%	0.775	S	S	*	*			trans	74.7	146.3	141.3	0	0	0	0	0	124.2
408	A	33.3	Very low	33.1	Very low	88 Å²	88	138.2 Å²	138.2	73%	0.727	79%	0.786	S	S	*	*			trans	87	45.6	155.7	0	0	0	0	0	122.3
409	H	30.9	Very low	33	Very low	187 Å²	187	137.4 Å²	137.4	87%	0.866	78%	0.775	S	S	*	*			trans	48.2	99.1	136.1	-59.4	-67.5	0	0	0	123.2
410	N	29.8	Very low	33	Very low	162 Å²	162	141.9 Å²	141.9	87%	0.866	78%	0.784	S	S	*	*			trans	-141.5	174.8	135.4	-127.8	-43.1	0	0	0	105.1
411	P	38.4	Very low	32.5	Very low	99 Å²	99	145 Å²	145	64%	0.643	79%	0.79	S	S	*	*			cis	-137.2	-162.1	-11.3	40.6	-19.3	0	0	0	113.7
412	L	31.4	Very low	32.1	Very low	154 Å²	154	143.2 Å²	143.2	81%	0.806	79%	0.787	S	S	*	*			trans	29.3	116	144.3	-90	155.5	0	0	0	121.7
413	L	28.1	Very low	32.2	Very low	160 Å²	160	142.4 Å²	142.4	84%	0.838	80%	0.795	S	S	*	*				159.9	135.9	122.5	-91.7	164.1	0	0	0	114.6
414	Q	32.3	Very low	31.9	Very low	187 Å²	187	138.9 Å²	138.9	87%	0.874	80%	0.796	S	S	*	*			trans	141.5	127.6	157	-82.2	167.3	12.7	0	0	108.9
415	H	26.6	Very low	32.2	Very low	166 Å²	166	141.1 Å²	141.1	77%	0.769	80%	0.802	S	S	*	*			cis	93.9	105.8	22.3	-153.8	-78.5	0	0	0	115.1
416	M	26.9	Very low	31.9	Very low	154 Å²	154	144.1 Å²	144.1	76%	0.759	81%	0.806	S	S	*	*			trans	71.1	118.7	168.9	-76.4	173.3	61.1	0	0	121
417	V	29.1	Very low	32.1	Very low	114 Å²	114	145.4 Å²	145.4	69%	0.691	80%	0.8	S	S	*	*				50.8	119.2	129.7	-173.5	0	0	0	0	119.6	L419	V417-L419 HydrophobicContact CG1-CD1 3.97Å
418	L	30.8	Very low	32	Very low	169 Å²	169	147.9 Å²	147.9	89%	0.885	80%	0.798	S	S	*	*			trans	-145.8	130.6	145.4	-113.6	155.6	0	0	0	109.4
419	L	29.9	Very low	32	Very low	132 Å²	132	149.2 Å²	149.2	69%	0.691	80%	0.796	S	S	*	*			trans	-98.9	144.9	169.4	-79.3	82.1	0	0	0	108.9	V417	V417-L419 HydrophobicContact CG1-CD1 3.97Å
420	E	32.4	Very low	32	Very low	200 Å²	200	146.8 Å²	146.8	94%	0.935	80%	0.795	S	S	*	*			trans	-74.6	145.2	151	-72.6	-169.9	100.3	0	0	110.1
421	Q	31.4	Very low	32.1	Very low	169 Å²	169	142.4 Å²	142.4	79%	0.79	79%	0.788	S	S	*	*			trans	-113.9	143.7	-158.8	-60.9	178.9	-10.7	0	0	112.9
422	P	30.7	Very low	31.8	Very low	106 Å²	106	146.6 Å²	146.6	69%	0.688	80%	0.804	S	S	*	*			trans	-75	146.1	153.4	33.7	-32.2	0	0	0	110
423	P	38.2	Very low	31.8	Very low	130 Å²	130	143.2 Å²	143.2	84%	0.844	81%	0.806	S	S	*	*			trans	-77.8	135.3	179.9	30.9	-34.2	0	0	0	112.1
424	T	30.7	Very low	32	Very low	132 Å²	132	140.1 Å²	140.1	81%	0.81	80%	0.804	S	S	*	*			trans	-134	132.1	168.2	57.1	0	0	0	0	111
425	Q	42.8	Very low	32.1	Very low	198 Å²	198	139.4 Å²	139.4	93%	0.925	81%	0.805	S	S	*	*			trans	-116.8	141.9	163.7	-66.9	-171.7	8.4	0	0	110.1
426	T	28.4	Very low	32.8	Very low	133 Å²	133	136.4 Å²	136.4	82%	0.816	80%	0.8	S	S	*	*			trans	-80.7	172.9	178.1	53.1	0	0	0	0	111.4
427	P	36.9	Very low	33.1	Very low	107 Å²	107	135.7 Å²	135.7	70%	0.695	80%	0.799	S	S	*	*			cis	-145	-177.8	16.5	39.8	-18.5	0	0	0	118.7
428	L	32.9	Very low	33.3	Very low	159 Å²	159	137.4 Å²	137.4	83%	0.832	80%	0.799	S	S	*	*			trans	92.7	142.1	139.1	-96.4	167.4	0	0	0	123
429	V	33.9	Very low	33.5	Very low	116 Å²	116	134.4 Å²	134.4	70%	0.703	79%	0.788	S	S	*	*			trans	78	85.4	162.5	-169.2	0	0	0	0	121
430	T	29.7	Very low	33.9	Very low	136 Å²	136	136.1 Å²	136.1	83%	0.834	79%	0.792	S	S	*	*			trans	22.9	139.6	131.1	58.5	0	0	0	0	124.4
431	G	32.7	Very low	34	Very low	70 Å²	70	131.6 Å²	131.6	72%	0.722	78%	0.783	S	S	*	*			trans	154	86.7	152.3	0	0	0	0	0	113.5
432	L	31.3	Very low	34.2	Very low	187 Å²	187	130.4 Å²	130.4	98%	0.979	78%	0.781	S	S	*	*				51.9	113	89	-69.4	178.8	0	0	0	116
433	G	32.5	Very low	34.6	Very low	83 Å²	83	132 Å²	132	86%	0.856	79%	0.788	S	S	*	*			trans	167.8	125.3	167.4	0	0	0	0	0	113.3
434	A	31.6	Very low	34.6	Very low	95 Å²	95	128.6 Å²	128.6	79%	0.785	78%	0.777	S	S	*	*			trans	-149.7	166.1	176.7	0	0	0	0	0	110.9
435	L	33.7	Very low	34.9	Very low	171 Å²	171	127.1 Å²	127.1	90%	0.895	78%	0.779	S	S	*	*			trans	137.5	156.6	151.9	-71.5	173.6	0	0	0	114.2
436	P	42.7	Very low	34.6	Very low	103 Å²	103	123.4 Å²	123.4	67%	0.669	77%	0.765	S	S	*	*			trans	-134.3	-147.1	-152.8	33.3	-8	0	0	0	114.5
437	L	32.9	Very low	35.1	Very low	139 Å²	139	126.4 Å²	126.4	73%	0.728	76%	0.761	S	S	*	*			trans	84.5	154.2	178.2	-76.4	67.9	0	0	0	114.8
438	H	33.4	Very low	35.1	Very low	151 Å²	151	127.4 Å²	127.4	70%	0.699	77%	0.765	S	S	*	*			cis	-158.5	176.7	10	-141.2	14.8	0	0	0	115.4
439	T	35.1	Very low	35.2	Very low	106 Å²	106	124.9 Å²	124.9	65%	0.65	76%	0.761	S	S	*	*			trans	64.3	150	156.7	50.8	0	0	0	0	120.2
440	Q	37.9	Very low	35.7	Very low	168 Å²	168	125.1 Å²	125.1	79%	0.785	77%	0.765	S	S	*	*			cis	-153	139.1	-5.5	-105.4	159.7	67.2	0	0	107.6
441	S	33.7	Very low	36.2	Very low	104 Å²	104	123.1 Å²	123.1	73%	0.727	76%	0.756	S	S	*	*				62.8	139.7	84.8	-131.8	0	0	0	0	115.7
442	L	37.2	Very low	36.5	Very low	144 Å²	144	126.1 Å²	126.1	75%	0.754	76%	0.755	S	S	*	*				-168.7	144.5	50.3	-153.5	110.6	0	0	0	114.5
443	V	38.3	Very low	37	Very low	139 Å²	139	123.1 Å²	123.1	84%	0.842	74%	0.735	S	S	*	*			trans	57.1	143.8	152.9	167.9	0	0	0	0	121
444	G	38.5	Very low	37.2	Very low	60 Å²	60	126.8 Å²	126.8	62%	0.619	73%	0.728	S	S	*	*			cis	-171	148.8	-3.5	0	0	0	0	0	111
445	A	36	Very low	37.4	Very low	101 Å²	101	130 Å²	130	84%	0.835	73%	0.731	S	S	*	*				68.1	133.7	91.4	0	0	0	0	0	113.9
446	D	37.3	Very low	37.4	Very low	120 Å²	120	133.2 Å²	133.2	64%	0.642	73%	0.731	S	S	*	*			cis	-170.1	-173.3	13.7	-140.6	-22.7	0	0	0	108.4
447	R	39.3	Very low	37.1	Very low	195 Å²	195	136.5 Å²	136.5	74%	0.736	74%	0.737	S	S	*	*			cis	-167.6	152.8	-0.7	-158.2	173.1	-76.6	162	2.7	110.8
448	V	36.7	Very low	37.2	Very low	129 Å²	129	139.2 Å²	139.2	78%	0.782	75%	0.746	S	S	*	*			trans	66.3	144.1	146.5	140.3	0	0	0	0	120.8
449	S	34.9	Very low	37.3	Very low	106 Å²	106	143.5 Å²	143.5	74%	0.741	76%	0.756	S	S	*	*			cis	-167	179.2	-22	-117.9	0	0	0	0	110.9
450	P	45	Very low	37.4	Very low	121 Å²	121	144.3 Å²	144.3	79%	0.786	76%	0.763	S	S	*	*			trans	-116.5	-169.7	-153.8	44.5	-36.8	0	0	0	115.4
451	S	39.5	Very low	37.2	Very low	93 Å²	93	144.8 Å²	144.8	65%	0.65	77%	0.77	S	S	*	*				172.5	131.5	123.9	-153.8	0	0	0	0	116.2
452	I	39.5	Very low	37.4	Very low	134 Å²	134	143.2 Å²	143.2	69%	0.687	77%	0.771	S	S	*	*			trans	67.1	134.6	137.6	-77.1	-178.9	0	0	0	120.5
453	H	40.6	Very low	37.1	Very low	124 Å²	124	148.5 Å²	148.5	57%	0.574	78%	0.78	S	S	*	*			cis	-157.7	147.3	6.5	-120.5	-2.8	0	0	0	114.8
454	K	37.6	Very low	37	Very low	160 Å²	160	148.5 Å²	148.5	70%	0.696	78%	0.781	S	S	*	*			trans	51.3	112.7	146.2	-62.6	159.8	178.8	159.7	0	119.8
455	L	34.7	Very low	36.7	Very low	163 Å²	163	155 Å²	155	85%	0.853	80%	0.795	S	S	*	*			cis	90	120.4	42.5	-78.7	165.3	0	0	0	117.4
456	R	35.4	Very low	36.4	Very low	237 Å²	237	155.9 Å²	155.9	89%	0.894	80%	0.796	S	S	*	*			trans	-147.8	71.9	141.2	-148	177.7	-164	-166.7	4.5	114.2
457	Q	36.3	Very low	36.5	Very low	172 Å²	172	154.1 Å²	154.1	80%	0.804	80%	0.798	S	S	*	*			trans	45.7	109.9	150.7	-66	174.3	-31.7	0	0	120.4
458	H	33.8	Very low	36.4	Very low	197 Å²	197	150.9 Å²	150.9	91%	0.912	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-102.2	160.7	151.8	-80.5	-110.6	0	0	0	110.8
459	R	36.9	Very low	36.5	Very low	241 Å²	241	151.6 Å²	151.6	91%	0.909	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-97.8	140.5	177.3	-156	168.4	-168.2	175.9	3.3	109.7
460	P	35.3	Very low	36.8	Very low	123 Å²	123	150.4 Å²	150.4	80%	0.799	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-77	148	-164	29.2	-36.5	0	0	0	114.6
461	L	35.1	Very low	37	Very low	177 Å²	177	154.6 Å²	154.6	93%	0.927	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-79.9	140.2	170.1	-72	166.1	0	0	0	111.1
462	G	36.8	Very low	37.2	Very low	72 Å²	72	154.1 Å²	154.1	74%	0.742	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-81.1	146.3	171.3	0	0	0	0	0	112.1
463	R	32	Very low	37.6	Very low	254 Å²	254	151.5 Å²	151.5	96%	0.958	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-67.5	129	172.6	-84.3	176.1	155.9	137.3	-9.3	111.2
464	T	34.7	Very low	38.1	Very low	139 Å²	139	151.8 Å²	151.8	85%	0.853	79%	0.789	S	S	*	*			trans	-116.8	158.9	148.6	48.8	0	0	0	0	109.1
465	Q	33.4	Very low	38.7	Very low	196 Å²	196	146.4 Å²	146.4	92%	0.916	78%	0.775	S	S	*	*			trans	-88.9	141.4	-166.6	-61.9	176.2	4.6	0	0	111.8	A467	Q465-A467 PolarHBondContact O-N 3.21Å
466	S	30.3	Very low	39.2	Very low	121 Å²	121	143.1 Å²	143.1	85%	0.846	76%	0.758	S	S	*	*			trans	-81.2	102.7	176.9	52.9	0	0	0	0	111.4
467	A	37.7	Very low	40.1	Very low	83 Å²	83	137.8 Å²	137.8	69%	0.686	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-78.2	155.8	160.2	0	0	0	0	0	110.4	Q465	Q465-A467 PolarHBondContact O-N 3.21Å
468	P	38.1	Very low	41.2	Very low	126 Å²	126	135.4 Å²	135.4	82%	0.818	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-65.2	145.7	178.8	-19.2	32.6	0	0	0	112.5
469	L	38.5	Very low	42.3	Very low	144 Å²	144	131.1 Å²	131.1	75%	0.754	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-69.8	141.7	170.5	-73.3	92.3	0	0	0	110.6	Q471	L469-Q471 PolarHBondContact O-N 2.73Å
470	P	41	Very low	43.7	Very low	82 Å²	82	123.1 Å²	123.1	53%	0.532	69%	0.693	S	S	.	*	P	Polyproline II helix	trans	-61.5	131.4	167	-19.3	31.9	0	0	0	110.7	N472 A475	P470-N472 PolarHBondContact O-N 3.22Å; P470-A475 HydrophobicContact CB-CB 4.38Å
471	Q	48.7	Very low	45	Very low	208 Å²	208	122 Å²	122	97%	0.972	68%	0.679	S	S	*	*	S	Bend	trans	-77.5	21.6	-179.9	-67	-177.9	-40.5	0	0	114	L469	L469-Q471 PolarHBondContact O-N 2.73Å
472	N	45.2	Very low	46.4	Very low	84 Å²	84	118.8 Å²	118.8	45%	0.449	66%	0.659	S	S	.	*			trans	-134.3	121.6	179.1	-175.7	-6.9	0	0	0	110.6	P470 Q474 A475	P470-N472 PolarHBondContact O-N 3.22Å; N472-Q474 VanDerWaalsContact C-N 3.29Å; N472-Q474 PolarHBondContact O-N 3.3Å; N472-Q474 PolarHBondContact OD1-N 2.84Å; N472-A475 PolarHBondContact O-N 3.01Å
473	A	47.1	Very low	47.8	Very low	79 Å²	79	121.3 Å²	121.3	65%	0.653	65%	0.652	S	S	*	*	H	α-helix	trans	-60.5	-34.2	-179.2	0	0	0	0	0	113.3	A475 L476 Q477	A473-A475 VanDerWaalsContact C-N 3.31Å; A473-A475 PolarHBondContact O-N 3.12Å; A473-L476 PolarHBondContact O-N 2.85Å; A473-Q477 PolarHBondContact O-N 3Å
474	Q	50.9	Low	49.3	Very low	129 Å²	129	114.7 Å²	114.7	60%	0.603	63%	0.632	S	S	*	*	H	α-helix	trans	-63.8	-36	179.7	-67.4	177.3	-34.1	0	0	112.3	N472 L476 Q477 H478	N472-Q474 VanDerWaalsContact C-N 3.29Å; N472-Q474 PolarHBondContact O-N 3.3Å; N472-Q474 PolarHBondContact OD1-N 2.84Å; Q474-L476 VanDerWaalsContact C-N 3.33Å; Q474-L476 PolarHBondContact O-N 3.16Å; Q474-Q477 PolarHBondContact O-N 3.01Å; Q474-H478 PolarHBondContact O-N 2.83Å
475	A	50.2	Low	50.7	Low	48 Å²	48	111.9 Å²	111.9	40%	0.397	61%	0.608	S	S	.	*	H	α-helix	trans	-67.8	-34.2	177.1	0	0	0	0	0	112	P470 N472 A473 L479	P470-A475 HydrophobicContact CB-CB 4.38Å; N472-A475 PolarHBondContact O-N 3.01Å; A473-A475 VanDerWaalsContact C-N 3.31Å; A473-A475 PolarHBondContact O-N 3.12Å; A475-L479 PolarHBondContact O-N 2.82Å
476	L	45.1	Very low	52.1	Low	94 Å²	94	109 Å²	109	49%	0.492	60%	0.595	S	S	.	*	H	α-helix	trans	-71.1	-41.3	175.4	-154.8	79.2	0	0	0	111.3	A473 Q474 L479 V480	A473-L476 PolarHBondContact O-N 2.85Å; Q474-L476 VanDerWaalsContact C-N 3.33Å; Q474-L476 PolarHBondContact O-N 3.16Å; L476-L479 PolarHBondContact O-N 2.87Å; L476-V480 WeakPolarHBondContact O-CG2 3.34Å; L476-V480 PolarHBondContact O-N 2.82Å; L476-V480 VanDerWaalsContact O-N 3.1Å
477	Q	55.1	Low	53.8	Low	125 Å²	125	108.8 Å²	108.8	58%	0.584	58%	0.581	S	S	*	*	H	α-helix	trans	-56.5	-51.1	171.7	-88.4	179	-33.3	0	0	111.6	A473 Q474 L479 V480 I481	A473-Q477 PolarHBondContact O-N 3Å; Q474-Q477 PolarHBondContact O-N 3.01Å; Q477-L479 VanDerWaalsContact C-N 3.32Å; Q477-L479 PolarHBondContact O-N 3.02Å; Q477-V480 PolarHBondContact O-N 3.05Å; Q477-I481 HydrophobicContact CB-CD1 4.46Å; Q477-I481 WeakPolarHBondContact O-CB 3.23Å; Q477-I481 VanDerWaalsContact O-CG1 3.25Å; Q477-I481 WeakPolarHBondContact O-CG1 3.42Å; Q477-I481 PolarHBondContact O-N 3.31Å
478	H	59.1	Low	55	Low	121 Å²	121	109.8 Å²	109.8	56%	0.56	57%	0.57	S	S	*	*	H	α-helix	trans	-57.3	-42.3	-179.6	-109.1	-92.4	0	0	0	113	Q474 I481 Q482	Q474-H478 PolarHBondContact O-N 2.83Å; H478-I481 PolarHBondContact O-N 2.88Å; H478-Q482 WeakPolarHBondContact O-CB 3.47Å; H478-Q482 PolarHBondContact O-N 2.96Å
479	L	57.6	Low	55.9	Low	108 Å²	108	108.1 Å²	108.1	57%	0.565	55%	0.554	S	S	*	*	H	α-helix	trans	-68.9	-38.3	179.6	-165.7	70.4	0	0	0	112.3	A475 L476 Q477 Q483	A475-L479 PolarHBondContact O-N 2.82Å; L476-L479 PolarHBondContact O-N 2.87Å; Q477-L479 VanDerWaalsContact C-N 3.32Å; Q477-L479 PolarHBondContact O-N 3.02Å; L479-Q483 WeakPolarHBondContact O-CB 3.33Å; L479-Q483 PolarHBondContact O-N 2.81Å
480	V	65.9	Low	57.1	Low	72 Å²	72	107.2 Å²	107.2	44%	0.436	55%	0.545	S	S	.	.	H	α-helix	trans	-67.7	-42.9	175.5	171.7	0	0	0	0	111.2	L476 Q477 Q483 Q484	L476-V480 WeakPolarHBondContact O-CG2 3.34Å; L476-V480 PolarHBondContact O-N 2.82Å; L476-V480 VanDerWaalsContact O-N 3.1Å; Q477-V480 PolarHBondContact O-N 3.05Å; V480-Q483 PolarHBondContact O-N 3.07Å; V480-Q484 HydrophobicContact CG1-CG 4.45Å; V480-Q484 WeakPolarHBondContact O-CB 3.35Å; V480-Q484 WeakPolarHBondContact O-CG 3.39Å; V480-Q484 PolarHBondContact O-N 3.32Å
481	I	62.2	Low	58.2	Low	100 Å²	100	110.2 Å²	110.2	51%	0.513	55%	0.55	S	S	.	*	H	α-helix	trans	-60.6	-47	176.2	-69.8	164.1	0	0	0	110.4	Q477 H478 Q483 Q484 H485	Q477-I481 HydrophobicContact CB-CD1 4.46Å; Q477-I481 WeakPolarHBondContact O-CB 3.23Å; Q477-I481 VanDerWaalsContact O-CG1 3.25Å; Q477-I481 WeakPolarHBondContact O-CG1 3.42Å; Q477-I481 PolarHBondContact O-N 3.31Å; H478-I481 PolarHBondContact O-N 2.88Å; I481-Q483 PolarHBondContact O-N 3.49Å; I481-Q484 PolarHBondContact O-N 3.39Å; I481-H485 WeakPolarHBondContact O-CB 3.34Å; I481-H485 PolarHBondContact O-N 3.13Å
482	Q	63.7	Low	58.9	Low	110 Å²	110	105.6 Å²	105.6	51%	0.514	53%	0.528	S	S	.	.	H	α-helix	trans	-62.2	-41.3	178.2	-173.1	172.8	67.8	0	0	112.1	H478 Q486	H478-Q482 WeakPolarHBondContact O-CB 3.47Å; H478-Q482 PolarHBondContact O-N 2.96Å; Q482-Q486 PolarHBondContact O-N 2.68Å; Q482-Q486 VanDerWaalsContact O-N 3.1Å
483	Q	67.7	Low	59.7	Low	125 Å²	125	109.1 Å²	109.1	58%	0.584	54%	0.54	S	S	*	.	H	α-helix	trans	-68.6	-40.1	177.4	-173.1	171.3	101.3	0	0	112.6	L479 V480 I481 Q486 Q487	L479-Q483 WeakPolarHBondContact O-CB 3.33Å; L479-Q483 PolarHBondContact O-N 2.81Å; V480-Q483 PolarHBondContact O-N 3.07Å; I481-Q483 PolarHBondContact O-N 3.49Å; Q483-Q486 PolarHBondContact O-N 2.71Å; Q483-Q487 WeakPolarHBondContact O-CG 3.5Å; Q483-Q487 PolarHBondContact O-N 2.96Å; Q483-Q487 VanDerWaalsContact O-N 3.13Å
484	Q	63.3	Low	60.6	Low	115 Å²	115	111.4 Å²	111.4	54%	0.537	54%	0.537	S	S	.	.	H	α-helix	trans	-65.5	-42.6	174.8	-75.6	-172.9	-0.4	0	0	111.9	V480 I481 Q486 Q487 F488	V480-Q484 HydrophobicContact CG1-CG 4.45Å; V480-Q484 WeakPolarHBondContact O-CB 3.35Å; V480-Q484 WeakPolarHBondContact O-CG 3.39Å; V480-Q484 PolarHBondContact O-N 3.32Å; I481-Q484 PolarHBondContact O-N 3.39Å; Q484-Q486 VanDerWaalsContact C-N 3.34Å; Q484-Q486 PolarHBondContact O-N 2.87Å; Q484-Q487 PolarHBondContact O-N 3.18Å; Q484-F488 WeakPolarHBondContact O-CB 3.24Å; Q484-F488 PolarHBondContact O-N 2.95Å
485	H	63.5	Low	61	Low	79 Å²	79	110.7 Å²	110.7	37%	0.366	53%	0.534	S	S	.	.	H	α-helix	trans	-60.1	-42.8	176.7	-178.6	78.7	0	0	0	111.7	Q106 I481 F488 L489	Q106-H485 PolarHBondContact NE2-NE2 2.72Å; I481-H485 WeakPolarHBondContact O-CB 3.34Å; I481-H485 PolarHBondContact O-N 3.13Å; H485-F488 WeakPolarHBondContact O-CB 3.48Å; H485-F488 PolarHBondContact O-N 3.39Å; H485-L489 WeakPolarHBondContact O-CG 3.48Å; H485-L489 PolarHBondContact O-N 3.32Å
486	Q	62.9	Low	61.2	Low	135 Å²	135	114.1 Å²	114.1	63%	0.631	54%	0.54	S	S	*	.	H	α-helix	trans	-66.3	-40.1	178	-164.6	161.4	55.7	0	0	112.4	Q482 Q483 Q484 L489 E490	Q482-Q486 PolarHBondContact O-N 2.68Å; Q482-Q486 VanDerWaalsContact O-N 3.1Å; Q483-Q486 PolarHBondContact O-N 2.71Å; Q484-Q486 VanDerWaalsContact C-N 3.34Å; Q484-Q486 PolarHBondContact O-N 2.87Å; Q486-L489 PolarHBondContact O-N 2.67Å; Q486-E490 PolarHBondContact O-N 3.45Å
487	Q	66.5	Low	62.1	Low	117 Å²	117	115.6 Å²	115.6	55%	0.547	54%	0.544	S	S	.	.	H	α-helix	trans	-66.7	-35	172.9	-71.7	-177.8	5.2	0	0	112.9	Q483 Q484 K491	Q483-Q487 WeakPolarHBondContact O-CG 3.5Å; Q483-Q487 PolarHBondContact O-N 2.96Å; Q483-Q487 VanDerWaalsContact O-N 3.13Å; Q484-Q487 PolarHBondContact O-N 3.18Å; Q487-K491 VanDerWaalsContact O-CB 3.31Å; Q487-K491 WeakPolarHBondContact O-CB 3.26Å; Q487-K491 PolarHBondContact O-N 3.3Å
488	F	63.6	Low	62.4	Low	104 Å²	104	116 Å²	116	46%	0.456	55%	0.546	S	S	.	.	H	α-helix	trans	-62.2	-47.1	175.1	175.2	-93.9	0	0	0	111.2	Q484 H485 E490 K491 H492	Q484-F488 WeakPolarHBondContact O-CB 3.24Å; Q484-F488 PolarHBondContact O-N 2.95Å; H485-F488 WeakPolarHBondContact O-CB 3.48Å; H485-F488 PolarHBondContact O-N 3.39Å; F488-E490 PolarHBondContact O-N 2.81Å; F488-K491 PolarHBondContact O-N 3.28Å; F488-H492 WeakPolarHBondContact O-CB 3.31Å; F488-H492 PolarHBondContact O-N 3.4Å
489	L	55.4	Low	62.1	Low	92 Å²	92	115.7 Å²	115.7	48%	0.482	55%	0.545	S	S	.	.	H	α-helix	trans	-60.6	-45.2	177.8	-69.8	174.6	0	0	0	112.5	H485 Q486 K491 H492 K493	H485-L489 WeakPolarHBondContact O-CG 3.48Å; H485-L489 PolarHBondContact O-N 3.32Å; Q486-L489 PolarHBondContact O-N 2.67Å; L489-K491 VanDerWaalsContact C-N 3.34Å; L489-K491 PolarHBondContact O-N 2.84Å; L489-H492 PolarHBondContact O-N 3.06Å; L489-K493 VanDerWaalsContact O-CB 3.31Å; L489-K493 WeakPolarHBondContact O-CB 3.11Å; L489-K493 PolarHBondContact O-N 3.04Å
490	E	64.3	Low	61.9	Low	124 Å²	124	115.1 Å²	115.1	58%	0.579	54%	0.539	S	S	*	.	H	α-helix	trans	-60.8	-43.1	175.3	-73.7	-160.9	118.9	0	0	112.3	Q486 F488 K493 Q494	Q486-E490 PolarHBondContact O-N 3.45Å; F488-E490 PolarHBondContact O-N 2.81Å; E490-K493 PolarHBondContact O-N 2.75Å; E490-Q494 WeakPolarHBondContact O-CG 3.4Å; E490-Q494 PolarHBondContact O-N 2.94Å
491	K	64.9	Low	61.2	Low	146 Å²	146	116.6 Å²	116.6	64%	0.635	54%	0.544	S	S	*	.	H	α-helix	trans	-68.8	-40.6	-178.3	-161.3	176.1	-174.6	-176.6	0	111.8	Q487 F488 L489 Q494 Q495	Q487-K491 VanDerWaalsContact O-CB 3.31Å; Q487-K491 WeakPolarHBondContact O-CB 3.26Å; Q487-K491 PolarHBondContact O-N 3.3Å; F488-K491 PolarHBondContact O-N 3.28Å; L489-K491 VanDerWaalsContact C-N 3.34Å; L489-K491 PolarHBondContact O-N 2.84Å; K491-Q494 PolarHBondContact O-N 3.25Å; K491-Q495 WeakPolarHBondContact O-CB 3.36Å; K491-Q495 PolarHBondContact O-N 3.03Å
492	H	62.2	Low	60.7	Low	110 Å²	110	117.2 Å²	117.2	51%	0.509	54%	0.544	S	S	.	.	H	α-helix	trans	-63.4	-43.4	174.8	-164.2	-106.6	0	0	0	111.4	F488 L489 Q494 Q495 F496	F488-H492 WeakPolarHBondContact O-CB 3.31Å; F488-H492 PolarHBondContact O-N 3.4Å; L489-H492 PolarHBondContact O-N 3.06Å; H492-Q494 PolarHBondContact O-N 2.85Å; H492-Q495 PolarHBondContact O-N 3.48Å; H492-F496 WeakPolarHBondContact O-CB 3.27Å; H492-F496 PolarHBondContact O-N 3.49Å
493	K	63.8	Low	59.8	Low	158 Å²	158	117 Å²	117	69%	0.687	55%	0.547	S	S	*	.	H	α-helix	trans	-59.4	-44.3	175	-174.8	173.5	-177.3	172.1	0	112.5	L489 E490 Q497	L489-K493 VanDerWaalsContact O-CB 3.31Å; L489-K493 WeakPolarHBondContact O-CB 3.11Å; L489-K493 PolarHBondContact O-N 3.04Å; E490-K493 PolarHBondContact O-N 2.75Å; K493-Q497 WeakPolarHBondContact O-CB 3.32Å; K493-Q497 PolarHBondContact O-N 3.3Å; K493-Q497 VanDerWaalsContact O-N 3.16Å
494	Q	65.3	Low	58.6	Low	127 Å²	127	115 Å²	115	59%	0.593	55%	0.547	S	S	*	.	H	α-helix	trans	-64.1	-41.5	174.6	-71.3	178	29.5	0	0	112.2	E490 K491 H492 Q497 Q498	E490-Q494 WeakPolarHBondContact O-CG 3.4Å; E490-Q494 PolarHBondContact O-N 2.94Å; K491-Q494 PolarHBondContact O-N 3.25Å; H492-Q494 PolarHBondContact O-N 2.85Å; Q494-Q497 PolarHBondContact O-N 3.04Å; Q494-Q498 WeakPolarHBondContact O-CB 3.18Å; Q494-Q498 PolarHBondContact O-N 3.49Å
495	Q	59	Low	57.6	Low	115 Å²	115	116.7 Å²	116.7	54%	0.537	55%	0.552	S	S	.	*	H	α-helix	trans	-69.4	-40.3	-178.1	-171.8	167.3	-18.9	0	0	112.5	K491 H492 Q498 Q499	K491-Q495 WeakPolarHBondContact O-CB 3.36Å; K491-Q495 PolarHBondContact O-N 3.03Å; H492-Q495 PolarHBondContact O-N 3.48Å; Q495-Q498 PolarHBondContact O-N 2.8Å; Q495-Q499 PolarHBondContact O-N 3.46Å
496	F	55.3	Low	56.5	Low	119 Å²	119	119.6 Å²	119.6	52%	0.522	57%	0.567	S	S	.	*	H	α-helix	trans	-63	-44.8	173.7	-173.5	-106.3	0	0	0	111.8	H492 Q498 Q499 Q500	H492-F496 WeakPolarHBondContact O-CB 3.27Å; H492-F496 PolarHBondContact O-N 3.49Å; F496-Q498 VanDerWaalsContact C-N 3.28Å; F496-Q498 PolarHBondContact O-N 2.96Å; F496-Q499 PolarHBondContact O-N 3.33Å; F496-Q499 VanDerWaalsContact O-N 3.17Å; F496-Q500 PolarHBondContact O-N 3.46Å
497	Q	62.6	Low	55.5	Low	125 Å²	125	119.4 Å²	119.4	58%	0.584	57%	0.569	S	S	*	*	H	α-helix	trans	-63.6	-34.4	176.1	-165.7	168.2	60	0	0	112	K493 Q494 L501	K493-Q497 WeakPolarHBondContact O-CB 3.32Å; K493-Q497 PolarHBondContact O-N 3.3Å; K493-Q497 VanDerWaalsContact O-N 3.16Å; Q494-Q497 PolarHBondContact O-N 3.04Å; Q497-L501 WeakPolarHBondContact O-CG 3.33Å; Q497-L501 PolarHBondContact O-N 3.49Å
498	Q	62.4	Low	54	Low	133 Å²	133	118.1 Å²	118.1	62%	0.621	57%	0.573	S	S	*	*	H	α-helix	trans	-72.6	-32.4	173.9	-166.5	174.2	105.3	0	0	113.3	Q494 Q495 F496 H502	Q494-Q498 WeakPolarHBondContact O-CB 3.18Å; Q494-Q498 PolarHBondContact O-N 3.49Å; Q495-Q498 PolarHBondContact O-N 2.8Å; F496-Q498 VanDerWaalsContact C-N 3.28Å; F496-Q498 PolarHBondContact O-N 2.96Å; Q498-H502 PolarHBondContact O-N 3.02Å; Q498-H502 VanDerWaalsContact O-N 3.15Å
499	Q	52.2	Low	52.6	Low	115 Å²	115	122.8 Å²	122.8	54%	0.537	59%	0.593	S	S	.	*	H	α-helix	trans	-68.7	-43	173.4	-83.3	-170.1	-9.7	0	0	112.5	Q495 F496 L501 H502 L503	Q495-Q499 PolarHBondContact O-N 3.46Å; F496-Q499 PolarHBondContact O-N 3.33Å; F496-Q499 VanDerWaalsContact O-N 3.17Å; Q499-L501 VanDerWaalsContact C-N 3.29Å; Q499-L501 PolarHBondContact O-N 3.4Å; Q499-H502 WeakPolarHBondContact O-CA 3.25Å; Q499-H502 PolarHBondContact O-N 2.95Å; Q499-L503 PolarHBondContact O-N 2.87Å
500	Q	53.9	Low	51.6	Low	96 Å²	96	124 Å²	124	45%	0.449	61%	0.607	S	S	.	*	H	α-helix	trans	-57.3	-45.1	173.3	-70.5	-167.4	2.3	0	0	111.1	F496 H502 L503 S504	F496-Q500 PolarHBondContact O-N 3.46Å; Q500-H502 PolarHBondContact O-N 3.11Å; Q500-L503 PolarHBondContact O-N 2.91Å; Q500-S504 WeakPolarHBondContact O-CB 3.14Å; Q500-S504 PolarHBondContact O-N 3.11Å; Q500-S504 PolarHBondContact O-OG 3.47Å; Q500-S504 VanDerWaalsContact O-OG 3.07Å
501	L	51.7	Low	49.9	Very low	104 Å²	104	123.4 Å²	123.4	55%	0.545	62%	0.616	S	S	.	*	H	α-helix	trans	-65.2	-14.7	175.1	-71.5	171	0	0	0	114.5	Q497 Q499 K505	Q497-L501 WeakPolarHBondContact O-CG 3.33Å; Q497-L501 PolarHBondContact O-N 3.49Å; Q499-L501 VanDerWaalsContact C-N 3.29Å; Q499-L501 PolarHBondContact O-N 3.4Å; L501-K505 VanDerWaalsContact O-CD 3.24Å; L501-K505 WeakPolarHBondContact O-CD 3.2Å; L501-K505 WeakPolarHBondContact O-CE 3.23Å; L501-K505 VanDerWaalsContact O-CG 3.26Å; L501-K505 WeakPolarHBondContact O-CG 3.34Å
502	H	51.6	Low	48.3	Very low	112 Å²	112	125.5 Å²	125.5	52%	0.519	63%	0.628	S	S	.	*	H	α-helix	trans	-91.4	-44.7	172.9	-113.3	109.3	0	0	0	112.3	Q498 Q499 Q500 S504 K505 M506	Q498-H502 PolarHBondContact O-N 3.02Å; Q498-H502 VanDerWaalsContact O-N 3.15Å; Q499-H502 WeakPolarHBondContact O-CA 3.25Å; Q499-H502 PolarHBondContact O-N 2.95Å; Q500-H502 PolarHBondContact O-N 3.11Å; H502-S504 VanDerWaalsContact C-N 3.33Å; H502-S504 PolarHBondContact O-N 2.74Å; H502-K505 PolarHBondContact O-N 3.31Å; H502-M506 PolarHBondContact O-N 3.46Å
503	L	44	Very low	47	Very low	107 Å²	107	125.5 Å²	125.5	56%	0.56	64%	0.638	S	S	*	*	H	α-helix	trans	-58.8	-45.5	174.4	-97.6	70.6	0	0	0	111	Q499 Q500 K505 M506 I507	Q499-L503 PolarHBondContact O-N 2.87Å; Q500-L503 PolarHBondContact O-N 2.91Å; L503-K505 PolarHBondContact O-N 3.33Å; L503-M506 PolarHBondContact O-N 3.34Å; L503-M506 VanDerWaalsContact O-N 3.15Å; L503-I507 WeakPolarHBondContact O-CG1 3.24Å; L503-I507 PolarHBondContact O-N 3.5Å
504	S	42.4	Very low	45.5	Very low	83 Å²	83	123.2 Å²	123.2	58%	0.58	64%	0.639	S	S	*	*	H	α-helix	trans	-61.5	-14.7	175.8	-58.8	0	0	0	0	114.5	Q500 H502	Q500-S504 WeakPolarHBondContact O-CB 3.14Å; Q500-S504 PolarHBondContact O-N 3.11Å; Q500-S504 PolarHBondContact O-OG 3.47Å; Q500-S504 VanDerWaalsContact O-OG 3.07Å; H502-S504 VanDerWaalsContact C-N 3.33Å; H502-S504 PolarHBondContact O-N 2.74Å
505	K	43.5	Very low	43.8	Very low	150 Å²	150	128.9 Å²	128.9	65%	0.652	66%	0.655	S	S	*	*	H	α-helix	trans	-98	-22	176.5	-71.5	177.7	-172.8	177.9	0	114	L501 H502 L503	L501-K505 VanDerWaalsContact O-CD 3.24Å; L501-K505 WeakPolarHBondContact O-CD 3.2Å; L501-K505 WeakPolarHBondContact O-CE 3.23Å; L501-K505 VanDerWaalsContact O-CG 3.26Å; L501-K505 WeakPolarHBondContact O-CG 3.34Å; H502-K505 PolarHBondContact O-N 3.31Å; L503-K505 PolarHBondContact O-N 3.33Å
506	M	38.9	Very low	42.4	Very low	139 Å²	139	132.2 Å²	132.2	69%	0.685	67%	0.671	S	S	*	*	H	α-helix	trans	-85.3	-16	178.3	-66.8	-166.2	-65.1	0	0	113.5	H502 L503 S508	H502-M506 PolarHBondContact O-N 3.46Å; L503-M506 PolarHBondContact O-N 3.34Å; L503-M506 VanDerWaalsContact O-N 3.15Å; M506-S508 PolarHBondContact O-N 3.32Å
507	I	42.6	Very low	41.5	Very low	131 Å²	131	131.6 Å²	131.6	67%	0.672	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-2.6	179.2	-67	167.5	0	0	0	112.5	L503	L503-I507 WeakPolarHBondContact O-CG1 3.24Å; L503-I507 PolarHBondContact O-N 3.5Å
508	S	34.9	Very low	39.9	Very low	91 Å²	91	133.9 Å²	133.9	64%	0.636	69%	0.69	S	S	*	*			trans	-118.7	60.2	-167.4	-54.9	0	0	0	0	114.7	M506	M506-S508 PolarHBondContact O-N 3.32Å
509	K	34.2	Very low	38.4	Very low	202 Å²	202	132.6 Å²	132.6	88%	0.878	70%	0.695	S	S	*	*			trans	-159.6	132.4	168.4	-110.8	165.4	-174.5	-179.9	0	112.8
510	P	33.5	Very low	37.4	Very low	118 Å²	118	135.2 Å²	135.2	77%	0.766	71%	0.707	S	S	*	*			trans	-103.1	156.1	-179.5	37.7	-33.7	0	0	0	115.6
511	S	30.1	Very low	36.4	Very low	110 Å²	110	136.2 Å²	136.2	77%	0.769	72%	0.722	S	S	*	*			trans	52.3	116.7	150.5	61.9	0	0	0	0	122.2
512	E	29.7	Very low	35.5	Very low	191 Å²	191	140.4 Å²	140.4	89%	0.893	74%	0.739	S	S	*	*				-166	140.6	109.5	-137.8	-179.7	170.9	0	0	112.3
513	P	35.8	Very low	34.9	Very low	110 Å²	110	144.4 Å²	144.4	71%	0.714	76%	0.758	S	S	*	*			trans	-112.6	152.1	173.8	38.5	-30.5	0	0	0	113.6
514	P	32.3	Very low	34.7	Very low	110 Å²	110	143.8 Å²	143.8	71%	0.714	76%	0.759	S	S	*	*				-158.3	161.3	115.7	37.4	-18.2	0	0	0	119.6
515	R	29.8	Very low	34.5	Very low	245 Å²	245	146.1 Å²	146.1	93%	0.925	76%	0.76	S	S	*	*			trans	83.1	160.1	149.8	-72.9	160.3	-161.6	-174.9	7.2	121.5
516	Q	30	Very low	34.3	Very low	185 Å²	185	147 Å²	147	86%	0.864	77%	0.767	S	S	*	*			trans	-134.8	-167.5	-167	-47.7	170.7	-68	0	0	108.8
517	P	36	Very low	34.5	Very low	107 Å²	107	148 Å²	148	70%	0.695	77%	0.77	S	S	*	*				-126.8	-175	-50.3	28.2	-7.4	0	0	0	112.2
518	E	28.7	Very low	34.3	Very low	173 Å²	173	146.9 Å²	146.9	81%	0.808	77%	0.765	S	S	*	*				160.2	140.2	119.2	-85.7	-165.8	149.8	0	0	114.7
519	S	31.1	Very low	34.6	Very low	106 Å²	106	150.6 Å²	150.6	74%	0.741	77%	0.765	S	S	*	*			trans	64.9	152	168.4	82.6	0	0	0	0	117.4
520	H	31	Very low	34.9	Very low	169 Å²	169	148.9 Å²	148.9	78%	0.782	76%	0.76	S	S	*	*			cis	-140.1	145.5	-2.5	-103.8	-85.8	0	0	0	108.8
521	P	32.5	Very low	35.2	Very low	118 Å²	118	150.3 Å²	150.3	77%	0.766	76%	0.756	S	S	*	*			trans	-126.6	119.1	169.1	35.3	-20.5	0	0	0	113.8
522	E	33.2	Very low	35.4	Very low	191 Å²	191	152.5 Å²	152.5	89%	0.893	75%	0.754	S	S	*	*			trans	-149.5	3.4	172.4	-141	167.6	172.8	0	0	115.8
523	E	38.1	Very low	35.6	Very low	196 Å²	196	147.3 Å²	147.3	92%	0.916	74%	0.744	S	S	*	*	S	Bend	trans	-117.6	9.4	-174.5	-62.6	-168.2	139.3	0	0	115.2
524	T	41.6	Very low	35.7	Very low	95 Å²	95	149.5 Å²	149.5	58%	0.583	75%	0.748	S	S	*	*	S	Bend	trans	-113	-1.3	-169.8	-32.8	0	0	0	0	114.8
525	E	36.8	Very low	35.7	Very low	132 Å²	132	151.2 Å²	151.2	62%	0.617	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-13.5	-176.1	-76.5	-149.9	160.9	0	0	115.4	R529	E525-R529 VanDerWaalsContact O-CD 3.26Å; E525-R529 WeakPolarHBondContact O-CD 3.49Å; E525-R529 VanDerWaalsContact O-CG 3.25Å; E525-R529 WeakPolarHBondContact O-CG 3.29Å; E525-R529 PolarHBondContact O-NE 3.27Å; E525-R529 IonicContact OE2-CZ 2.95Å; E525-R529 IonicContact OE2-NH2 3.67Å; E525-R529 PolarHBondContact OE2-NH2 2.89Å
526	E	39.1	Very low	35.7	Very low	169 Å²	169	146.8 Å²	146.8	79%	0.79	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-46.2	-174.7	-160.3	154.2	-143.6	0	0	112.3	L528 R529	E526-L528 VanDerWaalsContact C-N 3.28Å; E526-L528 PolarHBondContact O-N 3.3Å; E526-R529 PolarHBondContact O-N 2.86Å
527	E	43.6	Very low	36.1	Very low	159 Å²	159	146.5 Å²	146.5	74%	0.743	74%	0.744	S	S	*	*	H	α-helix	trans	-66.8	-25.3	178.2	-63.3	-171.7	142.5	0	0	113.5
528	L	38.3	Very low	36	Very low	108 Å²	108	146.5 Å²	146.5	57%	0.565	74%	0.744	S	S	*	*	H	α-helix	trans	-77.6	-20.1	177.7	-70.9	173.9	0	0	0	113.6	E526 H531 Q532	E526-L528 VanDerWaalsContact C-N 3.28Å; E526-L528 PolarHBondContact O-N 3.3Å; L528-H531 PolarHBondContact O-N 3.48Å; L528-Q532 PolarHBondContact O-N 2.81Å
529	R	42.1	Very low	36	Very low	168 Å²	168	148.7 Å²	148.7	63%	0.634	75%	0.747	S	S	*	*	H	α-helix	trans	-77.2	-27	-175.2	-75.6	170.6	-173	-171.6	4.7	113.8	E525 E526	E525-R529 VanDerWaalsContact O-CD 3.26Å; E525-R529 WeakPolarHBondContact O-CD 3.49Å; E525-R529 VanDerWaalsContact O-CG 3.25Å; E525-R529 WeakPolarHBondContact O-CG 3.29Å; E525-R529 PolarHBondContact O-NE 3.27Å; E525-R529 IonicContact OE2-CZ 2.95Å; E525-R529 IonicContact OE2-NH2 3.67Å; E525-R529 PolarHBondContact OE2-NH2 2.89Å; E526-R529 PolarHBondContact O-N 2.86Å
530	E	40.8	Very low	36.2	Very low	167 Å²	167	152 Å²	152	78%	0.78	76%	0.755	S	S	*	*	H	α-helix	trans	-76.1	-27.7	173	-64.6	-163.6	140.1	0	0	112.4
531	H	38.3	Very low	36.1	Very low	147 Å²	147	149.4 Å²	149.4	68%	0.681	75%	0.747	S	S	*	*	H	α-helix	trans	-82.3	-21.7	-179.8	-78.1	-62.4	0	0	0	114.7	L528 A533	L528-H531 PolarHBondContact O-N 3.48Å; H531-A533 VanDerWaalsContact C-N 3.32Å; H531-A533 PolarHBondContact O-N 3.38Å
532	Q	34.1	Very low	36.1	Very low	157 Å²	157	155 Å²	155	73%	0.734	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-79.9	-9.9	-178.8	-155.3	93.8	67	0	0	113.6	L528	L528-Q532 PolarHBondContact O-N 2.81Å
533	A	35.5	Very low	36.2	Very low	81 Å²	81	153.2 Å²	153.2	67%	0.669	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-89	0.5	-171	0	0	0	0	0	115.6	H531	H531-A533 VanDerWaalsContact C-N 3.32Å; H531-A533 PolarHBondContact O-N 3.38Å
534	L	36.8	Very low	36.2	Very low	156 Å²	156	149.8 Å²	149.8	82%	0.817	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-128.1	12.9	-173.1	-70.1	171.6	0	0	0	114.1
535	L	32.1	Very low	35.7	Very low	146 Å²	146	148.3 Å²	148.3	76%	0.764	75%	0.747	S	S	*	*	S	Bend	trans	-137	47.9	-173.3	-70.8	175.7	0	0	0	113.6
536	D	31.2	Very low	35.4	Very low	152 Å²	152	150 Å²	150	81%	0.813	76%	0.755	S	S	*	*			trans	-152.7	113.8	163.7	-102.2	-37.8	0	0	0	110.7
537	E	36.8	Very low	35.1	Very low	180 Å²	180	151 Å²	151	84%	0.841	76%	0.757	S	S	*	*			trans	-178.6	128.8	137.7	-101.5	-56	105	0	0	110.1
538	P	34.2	Very low	34.5	Very low	107 Å²	107	151.9 Å²	151.9	70%	0.695	76%	0.761	S	S	*	*			trans	-94.5	144.9	-174.7	35.3	-34.1	0	0	0	114.9
539	Y	29.7	Very low	34.6	Very low	218 Å²	218	151.1 Å²	151.1	86%	0.855	76%	0.763	S	S	*	*			trans	-64.5	129.9	-180	-166.8	-85.3	0	0	0	114.1	D541	Y539-D541 HydrophobicContact CE1-CB 4.48Å
540	L	35.7	Very low	34.1	Very low	176 Å²	176	147.9 Å²	147.9	92%	0.921	77%	0.766	S	S	*	*			trans	-154	149.3	159.8	-111.7	176.8	0	0	0	112.1
541	D	28.3	Very low	33.8	Very low	114 Å²	114	147.5 Å²	147.5	61%	0.61	77%	0.768	S	S	*	*			trans	-126.8	143.9	-160.8	168.7	35.4	0	0	0	113.2	Y539	Y539-D541 HydrophobicContact CE1-CB 4.48Å
542	R	32.7	Very low	33.5	Very low	237 Å²	237	145.2 Å²	145.2	89%	0.894	78%	0.775	S	S	*	*			trans	-174.8	122.7	150.8	-107.8	161.2	-171.9	-85.6	-4.5	116.3
543	L	34.4	Very low	33.3	Very low	152 Å²	152	141 Å²	141	80%	0.796	77%	0.774	S	S	*	*			trans	-83	-172	155.9	-76.3	163.7	0	0	0	111
544	P	39.3	Very low	33.1	Very low	124 Å²	124	144.5 Å²	144.5	81%	0.805	79%	0.786	S	S	*	*			cis	-137.9	-174.7	-1.1	42.7	-25.5	0	0	0	116.3
545	G	29.8	Very low	32.8	Very low	65 Å²	65	145.6 Å²	145.6	67%	0.67	79%	0.787	S	S	*	*				140.9	100.7	129.7	0	0	0	0	0	122.8
546	Q	30.5	Very low	32.8	Very low	168 Å²	168	144.9 Å²	144.9	79%	0.785	79%	0.788	S	S	*	*			trans	66.8	155.9	150.3	-59.8	-171.7	3.4	0	0	118.5
547	K	33.6	Very low	32.8	Very low	190 Å²	190	145.2 Å²	145.2	83%	0.826	78%	0.783	S	S	*	*			cis	-151.6	172.7	18.4	-139.9	148.7	-173.5	150.1	0	113.8
548	E	31.4	Very low	32.6	Very low	177 Å²	177	144.2 Å²	144.2	83%	0.827	78%	0.778	S	S	*	*			trans	-98	-163.4	-168.4	-125.1	-160.4	156.7	0	0	113.6
549	P	39.1	Very low	32.7	Very low	92 Å²	92	146.2 Å²	146.2	60%	0.597	78%	0.778	S	S	*	*			cis	-144.9	175.1	-6.6	35.5	-12.8	0	0	0	120.1
550	S	31.7	Very low	33.4	Very low	100 Å²	100	140.2 Å²	140.2	70%	0.699	77%	0.766	S	S	*	*			trans	73.4	162.5	139.9	74.3	0	0	0	0	122.5
551	L	34.4	Very low	33.5	Very low	158 Å²	158	139 Å²	139	83%	0.827	76%	0.759	S	S	*	*			cis	-164.1	147.5	1.9	-131.2	161.6	0	0	0	114
552	A	33.2	Very low	33.9	Very low	99 Å²	99	140.4 Å²	140.4	82%	0.818	76%	0.762	S	S	*	*			trans	55.8	158.5	156.6	0	0	0	0	0	122.2
553	G	29.7	Very low	34	Very low	70 Å²	70	133.8 Å²	133.8	72%	0.722	75%	0.752	S	S	*	*			cis	164.6	162.7	-12.2	0	0	0	0	0	116.2
554	V	30	Very low	34.2	Very low	153 Å²	153	134 Å²	134	93%	0.927	75%	0.749	S	S	*	*			trans	115.9	147.3	155.3	-174.5	0	0	0	0	118.4
555	Q	31.6	Very low	34	Very low	180 Å²	180	136.1 Å²	136.1	84%	0.841	75%	0.748	S	S	*	*			trans	-115	-177.3	-165.3	-54.2	165.7	-40.3	0	0	113.7
556	V	31.6	Very low	34.4	Very low	130 Å²	130	140.6 Å²	140.6	79%	0.788	75%	0.751	S	S	*	*				169.3	133.5	119.1	153.6	0	0	0	0	117.3
557	K	31.6	Very low	34.6	Very low	160 Å²	160	139.9 Å²	139.9	70%	0.696	75%	0.748	S	S	*	*			trans	70.3	168.4	154.3	-98.3	-156.7	167.2	-149.7	0	126.9	E559	K557-E559 IonicContact NZ-OE1 2.66Å; K557-E559 PolarHBondContact NZ-OE1 2.94Å
558	Q	33	Very low	34.8	Very low	158 Å²	158	137.6 Å²	137.6	74%	0.738	75%	0.749	S	S	*	*			trans	-137	174	-159.4	-44.3	138.2	-90.5	0	0	111.3
559	E	34.9	Very low	34.8	Very low	150 Å²	150	137.4 Å²	137.4	70%	0.701	75%	0.749	S	S	*	*				-179	164.6	112.3	-97.4	164.6	-142.4	0	0	114.2	K557	K557-E559 IonicContact NZ-OE1 2.66Å; K557-E559 PolarHBondContact NZ-OE1 2.94Å
560	P	44.3	Very low	34.5	Very low	92 Å²	92	136.6 Å²	136.6	60%	0.597	75%	0.75	S	S	*	*			trans	-123.6	-169	-167.3	45.3	-32.2	0	0	0	115.7
561	I	39.3	Very low	34.7	Very low	149 Å²	149	138.9 Å²	138.9	76%	0.764	76%	0.76	S	S	*	*			trans	178.9	124.8	155.3	-96.7	154.1	0	0	0	107.2
562	E	35.2	Very low	34.5	Very low	144 Å²	144	142.5 Å²	142.5	67%	0.673	76%	0.763	S	S	*	*				77.1	135.1	56.6	-72.4	99.7	-101.3	0	0	113.9
563	S	36.5	Very low	34.6	Very low	98 Å²	98	147.5 Å²	147.5	69%	0.685	77%	0.769	S	S	*	*			cis	-126.6	-134.7	6.3	-47.6	0	0	0	0	112.1
564	E	37.9	Very low	34.8	Very low	157 Å²	157	148.6 Å²	148.6	73%	0.734	77%	0.771	S	S	*	*			cis	-163	138.9	-6.5	-118	135	-118.7	0	0	105.8
565	E	36	Very low	34.9	Very low	169 Å²	169	149.9 Å²	149.9	79%	0.79	77%	0.767	S	S	*	*				74.6	138.2	77.2	-64.3	-178.5	-174.2	0	0	116.6
566	E	36.7	Very low	34.9	Very low	159 Å²	159	146.1 Å²	146.1	74%	0.743	76%	0.758	S	S	*	*			cis	-159.5	174.2	-6.2	-126.8	-172	173.4	0	0	115
567	E	35.1	Very low	34.8	Very low	152 Å²	152	145.5 Å²	145.5	71%	0.71	76%	0.76	S	S	*	*			trans	10.2	146	167.4	-57.5	-158.5	135.1	0	0	126.7
568	V	37.1	Very low	35	Very low	142 Å²	142	147 Å²	147	86%	0.861	77%	0.769	S	S	*	*				-168.3	135	108.7	145.3	0	0	0	0	112.7
569	E	32	Very low	35.1	Very low	173 Å²	173	149.5 Å²	149.5	81%	0.808	77%	0.772	S	S	*	*			trans	-80.7	168.8	175.1	-82.6	-162.6	118.9	0	0	113.9
570	A	33	Very low	35.2	Very low	75 Å²	75	147.2 Å²	147.2	62%	0.62	77%	0.77	S	S	*	*			cis	-170.4	158.4	-21.9	0	0	0	0	0	109.4
571	T	36	Very low	34.8	Very low	149 Å²	149	146.4 Å²	146.4	91%	0.914	77%	0.771	S	S	*	*			trans	-162.1	147.5	142	-2.9	0	0	0	0	110.6
572	R	31	Very low	35	Very low	234 Å²	234	144 Å²	144	88%	0.883	76%	0.764	S	S	*	*			trans	-108.9	140.7	176.4	-64.8	174	175.6	167.8	-1.5	109.7
573	E	35.1	Very low	35.4	Very low	204 Å²	204	144.1 Å²	144.1	95%	0.953	76%	0.764	S	S	*	*				-163.5	170.7	118.2	-106.4	167.6	-155.9	0	0	109.5
574	A	32.4	Very low	35.6	Very low	93 Å²	93	146.4 Å²	146.4	77%	0.769	76%	0.764	S	S	*	*			trans	-128.1	153.5	-153.1	0	0	0	0	0	114.7
575	E	32.8	Very low	36.1	Very low	179 Å²	179	145.7 Å²	145.7	84%	0.836	76%	0.761	S	S	*	*			trans	-152.4	141.3	152.8	-106.7	-59	99.8	0	0	110
576	P	32.6	Very low	37	Very low	102 Å²	102	143 Å²	143	66%	0.662	75%	0.751	S	S	*	*			trans	-112.5	112.8	-170.2	36.9	-26.2	0	0	0	114.6
577	S	29.4	Very low	37.6	Very low	117 Å²	117	141 Å²	141	82%	0.818	74%	0.744	S	S	*	*			trans	-154.6	63	170.7	-86.6	0	0	0	0	115.5
578	Q	34.3	Very low	38.6	Very low	190 Å²	190	141 Å²	141	89%	0.888	74%	0.742	S	S	*	*			trans	-142.6	76.8	164.3	-67.8	-168.3	17.7	0	0	111.6
579	R	36.2	Very low	39.8	Very low	212 Å²	212	143 Å²	143	80%	0.8	74%	0.735	S	S	*	*			trans	-139	-25.1	173.1	-73.2	-167.4	173.8	157.7	0.6	118.7	A581	R579-A581 PolarHBondContact O-N 3.42Å
580	P	35.7	Very low	41.2	Very low	101 Å²	101	140.5 Å²	140.5	66%	0.656	72%	0.723	S	S	*	*	H	α-helix	trans	-77.3	-23.6	-170.2	29.2	-34.7	0	0	0	114.9
581	A	37	Very low	42.6	Very low	75 Å²	75	142.7 Å²	142.7	62%	0.62	72%	0.72	S	S	*	*	H	α-helix	trans	-67.5	-39.3	-173.6	0	0	0	0	0	113.6	R579 E585	R579-A581 PolarHBondContact O-N 3.42Å; A581-E585 PolarHBondContact O-N 3.18Å
582	T	43.5	Very low	44	Very low	100 Å²	100	138.1 Å²	138.1	61%	0.613	70%	0.698	S	S	*	*	H	α-helix	trans	-76.8	-26.9	-173	27.6	0	0	0	0	114.1	L586	T582-L586 WeakPolarHBondContact O-CB 3.46Å; T582-L586 PolarHBondContact O-N 3.39Å
583	E	43.2	Very low	45.8	Very low	145 Å²	145	132.8 Å²	132.8	68%	0.678	69%	0.686	S	S	*	*	H	α-helix	trans	-74.2	-37	174.5	-68.3	-171.6	130.1	0	0	111.8	L586 L587	E583-L586 PolarHBondContact O-N 2.95Å; E583-L587 WeakPolarHBondContact O-CG 3.15Å; E583-L587 PolarHBondContact O-N 3.41Å
584	Q	41.8	Very low	47.3	Very low	147 Å²	147	127.9 Å²	127.9	69%	0.687	67%	0.666	S	S	*	*	H	α-helix	trans	-67.7	-40.7	-177.6	-159.7	168.9	15.3	0	0	112.1	F588	Q584-F588 PolarHBondContact O-N 3.38Å
585	E	48	Very low	48.9	Very low	142 Å²	142	128.3 Å²	128.3	66%	0.664	66%	0.655	S	S	*	*	H	α-helix	trans	-69.5	-34.8	174.9	-166.7	177.6	163.6	0	0	112.4	A581 F588 R589	A581-E585 PolarHBondContact O-N 3.18Å; E585-F588 PolarHBondContact O-N 2.81Å; E585-R589 WeakPolarHBondContact O-CB 3.29Å; E585-R589 PolarHBondContact O-N 3.15Å
586	L	53.2	Low	50.6	Low	112 Å²	112	124 Å²	124	59%	0.586	63%	0.634	S	S	*	*	H	α-helix	trans	-69.3	-38.7	177.4	-148.9	162.6	0	0	0	111.3	T582 E583 Q590	T582-L586 WeakPolarHBondContact O-CB 3.46Å; T582-L586 PolarHBondContact O-N 3.39Å; E583-L586 PolarHBondContact O-N 2.95Å; L586-Q590 WeakPolarHBondContact O-CB 3.46Å; L586-Q590 PolarHBondContact O-N 3.02Å
587	L	51.1	Low	52.3	Low	116 Å²	116	126.1 Å²	126.1	61%	0.607	64%	0.635	S	S	*	*	H	α-helix	trans	-60.9	-47.8	169.2	-80.3	167.3	0	0	0	112	E583 R589 Q590 Q591	E583-L587 WeakPolarHBondContact O-CG 3.15Å; E583-L587 PolarHBondContact O-N 3.41Å; L587-R589 VanDerWaalsContact C-N 3.33Å; L587-R589 PolarHBondContact O-N 2.81Å; L587-Q590 PolarHBondContact O-N 2.97Å; L587-Q590 VanDerWaalsContact O-N 3.13Å; L587-Q591 PolarHBondContact O-N 3.16Å
588	F	56	Low	54.2	Low	152 Å²	152	124 Å²	124	67%	0.667	61%	0.612	S	S	*	*	H	α-helix	trans	-59.6	-43.7	179.6	-145.9	-90.2	0	0	0	111.7	Q584 E585 Q590 Q591 A592	Q584-F588 PolarHBondContact O-N 3.38Å; E585-F588 PolarHBondContact O-N 2.81Å; F588-Q590 VanDerWaalsContact C-N 3.34Å; F588-Q590 PolarHBondContact O-N 3.25Å; F588-Q591 PolarHBondContact O-N 2.91Å; F588-A592 PolarHBondContact O-N 2.81Å
589	R	62	Low	55.7	Low	186 Å²	186	122.5 Å²	122.5	70%	0.702	60%	0.599	S	S	*	*	H	α-helix	trans	-65.9	-34.1	176.2	-166.3	172.8	-172.3	159.3	2.9	112.9	E585 L587 L593	E585-R589 WeakPolarHBondContact O-CB 3.29Å; E585-R589 PolarHBondContact O-N 3.15Å; L587-R589 VanDerWaalsContact C-N 3.33Å; L587-R589 PolarHBondContact O-N 2.81Å; R589-L593 WeakPolarHBondContact O-CG 3.43Å; R589-L593 PolarHBondContact O-N 2.9Å
590	Q	62.1	Low	57.4	Low	119 Å²	119	116.2 Å²	116.2	56%	0.556	58%	0.58	S	S	*	*	H	α-helix	trans	-71.5	-38.4	175.5	-163.8	173.7	118.3	0	0	111.8	L586 L587 F588 L593 L594	L586-Q590 WeakPolarHBondContact O-CB 3.46Å; L586-Q590 PolarHBondContact O-N 3.02Å; L587-Q590 PolarHBondContact O-N 2.97Å; L587-Q590 VanDerWaalsContact O-N 3.13Å; F588-Q590 VanDerWaalsContact C-N 3.34Å; F588-Q590 PolarHBondContact O-N 3.25Å; Q590-L593 PolarHBondContact O-N 2.91Å; Q590-L594 PolarHBondContact O-N 2.99Å
591	Q	60.9	Low	59	Low	122 Å²	122	116.8 Å²	116.8	57%	0.57	57%	0.574	S	S	*	*	H	α-helix	trans	-65.6	-41.8	175.4	-166.1	172.6	26.1	0	0	111.8	L587 F588 L594 L595	L587-Q591 PolarHBondContact O-N 3.16Å; F588-Q591 PolarHBondContact O-N 2.91Å; Q591-L594 PolarHBondContact O-N 3.07Å; Q591-L595 PolarHBondContact O-N 2.89Å
592	A	66.4	Low	60.4	Low	53 Å²	53	119.5 Å²	119.5	44%	0.438	57%	0.574	S	S	.	*	H	α-helix	trans	-60.4	-43.9	174.9	0	0	0	0	0	112.7	F588 L594 L595 E596	F588-A592 PolarHBondContact O-N 2.81Å; A592-L594 VanDerWaalsContact C-N 3.29Å; A592-L594 PolarHBondContact O-N 3.19Å; A592-L595 PolarHBondContact O-N 2.86Å; A592-E596 PolarHBondContact O-N 3.18Å
593	L	67.5	Low	61.6	Low	121 Å²	121	119.6 Å²	119.6	63%	0.634	57%	0.57	S	S	*	*	H	α-helix	trans	-62.7	-34.2	175.4	-77.9	167.1	0	0	0	112.9	R589 Q590 Q597	R589-L593 WeakPolarHBondContact O-CG 3.43Å; R589-L593 PolarHBondContact O-N 2.9Å; Q590-L593 PolarHBondContact O-N 2.91Å; L593-Q597 WeakPolarHBondContact O-CB 3.47Å; L593-Q597 PolarHBondContact O-N 2.94Å
594	L	67.5	Low	62.9	Low	102 Å²	102	121 Å²	121	53%	0.534	57%	0.569	S	S	.	*	H	α-helix	trans	-75.4	-36.9	179.8	-157.3	152.8	0	0	0	111.6	Q590 Q591 A592 Q598	Q590-L594 PolarHBondContact O-N 2.99Å; Q591-L594 PolarHBondContact O-N 3.07Å; A592-L594 VanDerWaalsContact C-N 3.29Å; A592-L594 PolarHBondContact O-N 3.19Å; L594-Q598 WeakPolarHBondContact O-CG 3.42Å; L594-Q598 PolarHBondContact O-N 3.44Å; L594-Q598 VanDerWaalsContact O-N 3.13Å
595	L	65.4	Low	64	Low	101 Å²	101	118.1 Å²	118.1	53%	0.529	56%	0.558	S	S	.	*	H	α-helix	trans	-62.8	-46.8	170.1	-80.3	162.5	0	0	0	112.1	Q591 A592 Q597 Q598 R599	Q591-L595 PolarHBondContact O-N 2.89Å; A592-L595 PolarHBondContact O-N 2.86Å; L595-Q597 PolarHBondContact O-N 3.03Å; L595-Q598 WeakPolarHBondContact O-CB 3.41Å; L595-Q598 PolarHBondContact O-N 3.05Å; L595-Q598 VanDerWaalsContact O-N 3.13Å; L595-R599 PolarHBondContact O-N 3.45Å
596	E	68.5	Low	64.6	Low	88 Å²	88	119 Å²	119	41%	0.411	56%	0.557	S	S	.	*	H	α-helix	trans	-66.1	-37.5	179.2	-174.6	54.2	-150.6	0	0	111.9	A592 Q598 R599 I600	A592-E596 PolarHBondContact O-N 3.18Å; E596-Q598 VanDerWaalsContact C-N 3.28Å; E596-Q598 PolarHBondContact O-N 2.85Å; E596-R599 WeakPolarHBondContact O-CB 3.16Å; E596-R599 PolarHBondContact O-N 2.86Å; E596-R599 VanDerWaalsContact O-N 3.14Å; E596-R599 VanDerWaalsContact OE2-CD 3.26Å; E596-R599 WeakPolarHBondContact OE2-CD 3.31Å; E596-I600 HydrophobicContact CG-CD1 4.25Å; E596-I600 WeakPolarHBondContact O-CG1 3.29Å; E596-I600 PolarHBondContact O-N 3.46Å
597	Q	68.4	Low	65.2	Low	147 Å²	147	119.5 Å²	119.5	69%	0.687	56%	0.556	S	S	*	*	H	α-helix	trans	-63.3	-35.5	173.2	-158.3	-173.9	121.4	0	0	112.1	L593 L595 H601	L593-Q597 WeakPolarHBondContact O-CB 3.47Å; L593-Q597 PolarHBondContact O-N 2.94Å; L595-Q597 PolarHBondContact O-N 3.03Å; Q597-H601 WeakPolarHBondContact O-CB 3.27Å; Q597-H601 PolarHBondContact O-N 3.22Å
598	Q	68.9	Low	65.9	Low	72 Å²	72	116.6 Å²	116.6	34%	0.336	55%	0.549	S	S	.	.	H	α-helix	trans	-69.4	-36.1	172.4	-75	-179.2	-9.9	0	0	112.7	L594 L595 E596 H601 Q602	L594-Q598 WeakPolarHBondContact O-CG 3.42Å; L594-Q598 PolarHBondContact O-N 3.44Å; L594-Q598 VanDerWaalsContact O-N 3.13Å; L595-Q598 WeakPolarHBondContact O-CB 3.41Å; L595-Q598 PolarHBondContact O-N 3.05Å; L595-Q598 VanDerWaalsContact O-N 3.13Å; E596-Q598 VanDerWaalsContact C-N 3.28Å; E596-Q598 PolarHBondContact O-N 2.85Å; Q598-H601 PolarHBondContact O-N 3.21Å; Q598-Q602 WeakPolarHBondContact O-CG 3.43Å; Q598-Q602 PolarHBondContact O-N 3.42Å
599	R	66.7	Low	66.3	Low	160 Å²	160	113 Å²	113	60%	0.604	54%	0.542	S	S	*	.	H	α-helix	trans	-59.9	-48.3	172.2	-170.7	-175.7	-170.8	149.7	4.2	111.1	L595 E596 H601 Q602 L603	L595-R599 PolarHBondContact O-N 3.45Å; E596-R599 WeakPolarHBondContact O-CB 3.16Å; E596-R599 PolarHBondContact O-N 2.86Å; E596-R599 VanDerWaalsContact O-N 3.14Å; E596-R599 VanDerWaalsContact OE2-CD 3.26Å; E596-R599 WeakPolarHBondContact OE2-CD 3.31Å; R599-H601 VanDerWaalsContact C-N 3.32Å; R599-H601 PolarHBondContact O-N 2.97Å; R599-Q602 PolarHBondContact O-N 3.44Å; R599-L603 HydrophobicContact CG-CD1 4.22Å; R599-L603 WeakPolarHBondContact O-CB 3.33Å; R599-L603 WeakPolarHBondContact O-CG 3.21Å; R599-L603 PolarHBondContact O-N 2.93Å
600	I	70.9	Confident	66	Low	79 Å²	79	106.5 Å²	106.5	41%	0.405	52%	0.521	S	S	.	.	H	α-helix	trans	-61.6	-39.6	176.8	-66.5	165.8	0	0	0	111.4	E596 R604	E596-I600 HydrophobicContact CG-CD1 4.25Å; E596-I600 WeakPolarHBondContact O-CG1 3.29Å; E596-I600 PolarHBondContact O-N 3.46Å; I600-R604 PolarHBondContact O-N 3.1Å
601	H	69.7	Low	65.9	Low	113 Å²	113	108 Å²	108	52%	0.523	53%	0.527	S	S	.	.	H	α-helix	trans	-68.9	-42.1	176.9	-171.3	76.1	0	0	0	112.5	Q597 Q598 R599 R604 N605	Q597-H601 WeakPolarHBondContact O-CB 3.27Å; Q597-H601 PolarHBondContact O-N 3.22Å; Q598-H601 PolarHBondContact O-N 3.21Å; R599-H601 VanDerWaalsContact C-N 3.32Å; R599-H601 PolarHBondContact O-N 2.97Å; H601-R604 PolarHBondContact O-N 3.2Å; H601-N605 PolarHBondContact CD2-ND2 3.32Å; H601-N605 VanDerWaalsContact CD2-ND2 3.31Å; H601-N605 PolarHBondContact NE2-ND2 3.46Å; H601-N605 VanDerWaalsContact O-CG 3.24Å; H601-N605 PolarHBondContact O-N 3.09Å; H601-N605 PolarHBondContact O-OD1 3.41Å
602	Q	66.4	Low	65.8	Low	132 Å²	132	106.4 Å²	106.4	62%	0.617	54%	0.536	S	S	*	.	H	α-helix	trans	-63.4	-41.7	174.3	-76.1	-175.3	-16.8	0	0	112.2	Q598 R599 N605 Y606	Q598-Q602 WeakPolarHBondContact O-CG 3.43Å; Q598-Q602 PolarHBondContact O-N 3.42Å; R599-Q602 PolarHBondContact O-N 3.44Å; Q602-N605 PolarHBondContact O-N 3.39Å; Q602-Y606 WeakPolarHBondContact O-CB 3.27Å; Q602-Y606 PolarHBondContact O-N 2.84Å
603	L	68.3	Low	65.2	Low	102 Å²	102	107 Å²	107	53%	0.534	54%	0.54	S	S	.	.	H	α-helix	trans	-60.6	-44.9	174.3	-75.2	167.9	0	0	0	111.7	R599 N605 Y606 Q607	R599-L603 HydrophobicContact CG-CD1 4.22Å; R599-L603 WeakPolarHBondContact O-CB 3.33Å; R599-L603 WeakPolarHBondContact O-CG 3.21Å; R599-L603 PolarHBondContact O-N 2.93Å; L603-N605 PolarHBondContact O-N 3.23Å; L603-Y606 PolarHBondContact O-N 2.78Å; L603-Q607 WeakPolarHBondContact O-CB 3.42Å; L603-Q607 PolarHBondContact O-N 2.76Å
604	R	71.2	Confident	63.9	Low	175 Å²	175	104.1 Å²	104.1	66%	0.66	54%	0.54	S	S	*	.	H	α-helix	trans	-61	-43	174.1	-86.7	-176.4	168.8	158.5	-1.1	113	I600 H601 Q607 A608	I600-R604 PolarHBondContact O-N 3.1Å; H601-R604 PolarHBondContact O-N 3.2Å; R604-Q607 PolarHBondContact O-N 2.77Å; R604-A608 WeakPolarHBondContact O-CB 3.42Å; R604-A608 PolarHBondContact O-N 2.76Å
605	N	65.9	Low	62.8	Low	86 Å²	86	103.7 Å²	103.7	46%	0.46	54%	0.538	S	S	.	.	H	α-helix	trans	-69.2	-35.6	180	-65.5	-4.7	0	0	0	111.6	H601 Q602 L603 S609	H601-N605 PolarHBondContact CD2-ND2 3.32Å; H601-N605 VanDerWaalsContact CD2-ND2 3.31Å; H601-N605 PolarHBondContact NE2-ND2 3.46Å; H601-N605 VanDerWaalsContact O-CG 3.24Å; H601-N605 PolarHBondContact O-N 3.09Å; H601-N605 PolarHBondContact O-OD1 3.41Å; Q602-N605 PolarHBondContact O-N 3.39Å; L603-N605 PolarHBondContact O-N 3.23Å; N605-S609 VanDerWaalsContact O-CB 3.29Å; N605-S609 WeakPolarHBondContact O-CB 3.42Å; N605-S609 PolarHBondContact O-N 3.37Å
606	Y	59.8	Low	61.8	Low	160 Å²	160	104.7 Å²	104.7	63%	0.627	55%	0.55	S	S	*	.	H	α-helix	trans	-64.6	-43.1	171.5	-173.6	-96.7	0	0	0	111.7	Q602 L603 S609 M610	Q602-Y606 WeakPolarHBondContact O-CB 3.27Å; Q602-Y606 PolarHBondContact O-N 2.84Å; L603-Y606 PolarHBondContact O-N 2.78Å; Y606-S609 PolarHBondContact O-N 2.9Å; Y606-M610 HydrophobicContact CD1-CG 4.16Å; Y606-M610 HydrophobicContact CE1-CG 3.87Å; Y606-M610 HydrophobicContact CE1-SD 4.06Å; Y606-M610 VanDerWaalsContact O-CG 3.26Å; Y606-M610 WeakPolarHBondContact O-CG 3.46Å; Y606-M610 PolarHBondContact O-N 2.85Å
607	Q	66.6	Low	60.6	Low	124 Å²	124	105.5 Å²	105.5	58%	0.579	56%	0.56	S	S	*	*	H	α-helix	trans	-64.9	-45.2	178	-159.2	167.8	15.7	0	0	111.7	L603 R604 S609 M610 E611	L603-Q607 WeakPolarHBondContact O-CB 3.42Å; L603-Q607 PolarHBondContact O-N 2.76Å; R604-Q607 PolarHBondContact O-N 2.77Å; Q607-S609 VanDerWaalsContact C-N 3.32Å; Q607-S609 PolarHBondContact O-N 2.73Å; Q607-M610 PolarHBondContact O-N 2.87Å; Q607-E611 WeakPolarHBondContact O-CG 3.33Å; Q607-E611 PolarHBondContact O-N 3.15Å
608	A	66	Low	59.4	Low	54 Å²	54	103.6 Å²	103.6	45%	0.446	56%	0.563	S	S	.	*	H	α-helix	trans	-63.5	-35.1	174	0	0	0	0	0	112.7	R604 E611 A612	R604-A608 WeakPolarHBondContact O-CB 3.42Å; R604-A608 PolarHBondContact O-N 2.76Å; A608-E611 PolarHBondContact O-N 3.22Å; A608-A612 VanDerWaalsContact O-CB 3.3Å; A608-A612 WeakPolarHBondContact O-CB 3.44Å; A608-A612 PolarHBondContact O-N 3.04Å
609	S	63.5	Low	58	Low	77 Å²	77	109.4 Å²	109.4	54%	0.538	59%	0.588	S	S	.	*	H	α-helix	trans	-68	-38.8	174.1	-169.2	0	0	0	0	112.1	N605 Y606 Q607 A612 A613	N605-S609 VanDerWaalsContact O-CB 3.29Å; N605-S609 WeakPolarHBondContact O-CB 3.42Å; N605-S609 PolarHBondContact O-N 3.37Å; Y606-S609 PolarHBondContact O-N 2.9Å; Q607-S609 VanDerWaalsContact C-N 3.32Å; Q607-S609 PolarHBondContact O-N 2.73Å; S609-A612 PolarHBondContact O-N 3.39Å; S609-A613 WeakPolarHBondContact O-CB 3.32Å; S609-A613 PolarHBondContact O-N 3.35Å
610	M	54.8	Low	56.4	Low	50 Å²	50	105.6 Å²	105.6	25%	0.246	60%	0.598	C	S	.	*	H	α-helix	trans	-65.5	-39.3	173.5	-67.8	-99.9	64.7	0	0	112.5	Y606 Q607 A613 G614 I615	Y606-M610 HydrophobicContact CD1-CG 4.16Å; Y606-M610 HydrophobicContact CE1-CG 3.87Å; Y606-M610 HydrophobicContact CE1-SD 4.06Å; Y606-M610 VanDerWaalsContact O-CG 3.26Å; Y606-M610 WeakPolarHBondContact O-CG 3.46Å; Y606-M610 PolarHBondContact O-N 2.85Å; Q607-M610 PolarHBondContact O-N 2.87Å; M610-A613 PolarHBondContact O-N 2.97Å; M610-G614 PolarHBondContact O-N 2.74Å; M610-I615 HydrophobicContact CE-CB 4.41Å; M610-I615 HydrophobicContact CE-CD1 3.89Å; M610-I615 PolarHBondContact O-N 2.8Å
611	E	61.7	Low	54.8	Low	149 Å²	149	107 Å²	107	70%	0.696	62%	0.615	S	S	*	*	H	α-helix	trans	-66.1	-43	173	-71.6	-177.9	157.9	0	0	111.8	Q607 A608 A613 G614	Q607-E611 WeakPolarHBondContact O-CG 3.33Å; Q607-E611 PolarHBondContact O-N 3.15Å; A608-E611 PolarHBondContact O-N 3.22Å; E611-A613 VanDerWaalsContact C-N 3.3Å; E611-A613 PolarHBondContact O-N 2.94Å; E611-G614 PolarHBondContact O-N 2.77Å
612	A	58.7	Low	53.4	Low	90 Å²	90	110.3 Å²	110.3	74%	0.744	63%	0.63	S	S	*	*	H	α-helix	trans	-64.8	-31.1	175.4	0	0	0	0	0	113.1	A608 S609 G614	A608-A612 VanDerWaalsContact O-CB 3.3Å; A608-A612 WeakPolarHBondContact O-CB 3.44Å; A608-A612 PolarHBondContact O-N 3.04Å; S609-A612 PolarHBondContact O-N 3.39Å; A612-G614 PolarHBondContact O-N 2.74Å
613	A	52.6	Low	52	Low	65 Å²	65	114.3 Å²	114.3	54%	0.537	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.9	-4.9	172.3	0	0	0	0	0	113.8	S609 M610 E611 I615	S609-A613 WeakPolarHBondContact O-CB 3.32Å; S609-A613 PolarHBondContact O-N 3.35Å; M610-A613 PolarHBondContact O-N 2.97Å; E611-A613 VanDerWaalsContact C-N 3.3Å; E611-A613 PolarHBondContact O-N 2.94Å; A613-I615 VanDerWaalsContact C-N 3.35Å; A613-I615 HydrophobicContact CB-CD1 4.36Å; A613-I615 PolarHBondContact O-N 2.75Å
614	G	40.2	Very low	50.7	Low	61 Å²	61	115.3 Å²	115.3	63%	0.629	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.2	22.4	177.2	0	0	0	0	0	114.5	M610 E611 A612 P616	M610-G614 PolarHBondContact O-N 2.74Å; E611-G614 PolarHBondContact O-N 2.77Å; A612-G614 PolarHBondContact O-N 2.74Å; G614-P616 WeakPolarHBondContact O-CD 3.19Å
615	I	45.3	Very low	49	Very low	93 Å²	93	113.1 Å²	113.1	48%	0.477	65%	0.653	S	S	.	*			trans	-102.5	103.2	-178.7	-62.2	171.4	0	0	0	108.9	M610 A613 V617	M610-I615 HydrophobicContact CE-CB 4.41Å; M610-I615 HydrophobicContact CE-CD1 3.89Å; M610-I615 PolarHBondContact O-N 2.8Å; A613-I615 VanDerWaalsContact C-N 3.35Å; A613-I615 HydrophobicContact CB-CD1 4.36Å; A613-I615 PolarHBondContact O-N 2.75Å; I615-V617 HydrophobicContact CG2-CG2 4.45Å; I615-V617 PolarHBondContact O-N 2.93Å
616	P	43.5	Very low	47.9	Very low	121 Å²	121	114.5 Å²	114.5	79%	0.786	67%	0.67	S	S	*	*			trans	-78.9	94.9	-172.5	31	-35.3	0	0	0	112.3	G614 S618	G614-P616 WeakPolarHBondContact O-CD 3.19Å; P616-S618 PolarHBondContact O-N 2.79Å
617	V	42.9	Very low	46.9	Very low	105 Å²	105	118 Å²	118	64%	0.636	68%	0.682	S	S	*	*			trans	-84	84.8	170.9	-173.5	0	0	0	0	109.7	I615 F619	I615-V617 HydrophobicContact CG2-CG2 4.45Å; I615-V617 PolarHBondContact O-N 2.93Å; V617-F619 HydrophobicContact CG1-CE2 4.38Å
618	S	43.4	Very low	45.4	Very low	107 Å²	107	116.1 Å²	116.1	75%	0.748	69%	0.687	S	S	*	*			trans	-112.8	113.8	177.1	-169	0	0	0	0	111	P616	P616-S618 PolarHBondContact O-N 2.79Å
619	F	39.7	Very low	44.2	Very low	195 Å²	195	122.7 Å²	122.7	86%	0.855	71%	0.709	S	S	*	*			trans	-69.3	131.8	170.2	-80	-94.9	0	0	0	109.6	V617	V617-F619 HydrophobicContact CG1-CE2 4.38Å
620	G	32.7	Very low	43.2	Very low	79 Å²	79	124.3 Å²	124.3	81%	0.814	72%	0.72	S	S	*	*			trans	-77.3	146	-150.9	0	0	0	0	0	116.6
621	S	37.9	Very low	42.4	Very low	110 Å²	110	127.3 Å²	127.3	77%	0.769	75%	0.746	S	S	*	*			trans	-146.6	149.4	154.1	-165.4	0	0	0	0	111.1
622	H	40.8	Very low	41.6	Very low	181 Å²	181	126.3 Å²	126.3	84%	0.838	75%	0.752	S	S	*	*			trans	-21.4	144.1	-168.9	-55	-75	0	0	0	122.1
623	R	37.1	Very low	40.7	Very low	216 Å²	216	126.6 Å²	126.6	82%	0.815	76%	0.755	S	S	*	*			trans	-96.1	145.6	171.6	-172.4	-171.1	-164.2	-164.3	10.4	111.7
624	P	40.4	Very low	40	Very low	123 Å²	123	128.8 Å²	128.8	80%	0.799	77%	0.766	S	S	*	*			trans	-130.5	-170.4	134.3	27.9	-11.2	0	0	0	113.5
625	L	35.8	Very low	40	Very low	129 Å²	129	130.2 Å²	130.2	68%	0.675	77%	0.772	S	S	*	*			trans	-118.7	167.5	-155.3	-68	164.1	0	0	0	115
626	S	42.4	Very low	39.7	Very low	115 Å²	115	131.9 Å²	131.9	80%	0.804	79%	0.787	S	S	*	*			trans	81.6	155.3	162.5	89.2	0	0	0	0	117
627	R	39.1	Very low	39.6	Very low	234 Å²	234	134.5 Å²	134.5	88%	0.883	79%	0.786	S	S	*	*			cis	-152.3	120.2	1.2	-157.6	175.8	-170.6	145.3	0.7	113.8
628	A	35.7	Very low	39.6	Very low	84 Å²	84	135.3 Å²	135.3	69%	0.694	79%	0.793	S	S	*	*			trans	29.1	148.2	147.9	0	0	0	0	0	125.3
629	Q	40.7	Very low	39.4	Very low	192 Å²	192	138.4 Å²	138.4	90%	0.897	80%	0.798	S	S	*	*			trans	82.2	142.1	161.7	-49	-159.8	-0.8	0	0	116.9
630	S	42.2	Very low	39.7	Very low	111 Å²	111	133.9 Å²	133.9	78%	0.776	79%	0.791	S	S	*	*			cis	-141.8	170.7	8.9	56.6	0	0	0	0	113.2
631	S	37.3	Very low	40.4	Very low	113 Å²	113	136.6 Å²	136.6	79%	0.79	79%	0.791	S	S	*	*			trans	-126.7	156.6	172.1	-44.6	0	0	0	0	108.9
632	P	44.9	Very low	40.4	Very low	128 Å²	128	139.8 Å²	139.8	83%	0.831	79%	0.794	S	S	*	*				-135.2	-164.9	77.7	38.7	-21.2	0	0	0	110.9
633	A	41.1	Very low	40.5	Very low	96 Å²	96	138.7 Å²	138.7	79%	0.793	79%	0.789	S	S	*	*			cis	-150.1	179.3	12.2	0	0	0	0	0	114
634	S	37.7	Very low	40.7	Very low	112 Å²	112	133.2 Å²	133.2	78%	0.783	78%	0.782	S	S	*	*			trans	-73.8	141.3	-171.7	-43.8	0	0	0	0	117
635	A	39.6	Very low	41	Very low	90 Å²	90	133.4 Å²	133.4	74%	0.744	78%	0.783	S	S	*	*			trans	-139	110	142.9	0	0	0	0	0	108.4
636	T	38.3	Very low	42.1	Very low	129 Å²	129	132.9 Å²	132.9	79%	0.791	79%	0.785	S	S	*	*			trans	-89.4	115.2	-166.4	-51.4	0	0	0	0	112.5
637	F	42.7	Very low	43	Very low	175 Å²	175	136.4 Å²	136.4	77%	0.768	79%	0.786	S	S	*	*			trans	-106.4	147.5	156.9	-71.5	-79.3	0	0	0	109.3	M639	F637-M639 PolarHBondContact O-N 3.01Å
638	P	43.1	Very low	44.3	Very low	122 Å²	122	128.8 Å²	128.8	79%	0.792	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-65.6	122.1	-179.1	27.2	-33.6	0	0	0	109.6	S640	P638-S640 PolarHBondContact O-N 3.3Å
639	M	38.5	Very low	46.4	Very low	173 Å²	173	132.9 Å²	132.9	85%	0.852	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-62.4	127.4	171.6	-63.7	-168.4	73.6	0	0	108.7	F637 V641	F637-M639 PolarHBondContact O-N 3.01Å; M639-V641 PolarHBondContact O-N 3.37Å
640	S	46.2	Very low	49.1	Very low	100 Å²	100	130.3 Å²	130.3	70%	0.699	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-57.2	131.2	155.3	43.7	0	0	0	0	107.4	P638 Q642	P638-S640 PolarHBondContact O-N 3.3Å; S640-Q642 PolarHBondContact O-N 3.07Å
641	V	46.4	Very low	51.7	Low	136 Å²	136	126.3 Å²	126.3	82%	0.824	72%	0.722	S	S	*	*			trans	-62.6	111.8	167	176.6	0	0	0	0	105.6	M639 E643	M639-V641 PolarHBondContact O-N 3.37Å; V641-E643 VanDerWaalsContact C-N 3.3Å; V641-E643 PolarHBondContact O-N 2.88Å
642	Q	39.3	Very low	54.7	Low	176 Å²	176	121 Å²	121	82%	0.822	68%	0.684	S	S	*	*			trans	-63.7	101.2	164.5	-78.9	-177.9	-40.4	0	0	106.4	S640	S640-Q642 PolarHBondContact O-N 3.07Å
643	E	42.2	Very low	57.2	Low	159 Å²	159	114.9 Å²	114.9	74%	0.743	64%	0.644	S	S	*	*			trans	-54.8	124.7	168.1	-170.3	160.6	-145.1	0	0	106.9	V641	V641-E643 VanDerWaalsContact C-N 3.3Å; V641-E643 PolarHBondContact O-N 2.88Å
644	P	41.4	Very low	60	Low	100 Å²	100	110.3 Å²	110.3	65%	0.649	61%	0.607	S	S	*	*			trans	-60.6	135	-173.7	25	-34	0	0	0	108.4	T646	P644-T646 PolarHBondContact O-N 3.47Å
645	P	47.6	Very low	62.9	Low	127 Å²	127	105 Å²	105	83%	0.825	57%	0.57	S	S	*	*			trans	-54.9	112	-174.1	21.2	-32.8	0	0	0	109.3	K647	P645-K647 PolarHBondContact O-N 3.07Å
646	T	58.4	Low	65.7	Low	118 Å²	118	102.1 Å²	102.1	72%	0.724	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-61.9	120.3	-178.3	46.3	0	0	0	0	107.9	P644	P644-T646 PolarHBondContact O-N 3.47Å
647	K	60.1	Low	68.5	Low	189 Å²	189	97.5 Å²	97.5	82%	0.822	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-52.9	129.4	175.6	-65.9	-173.4	177	-172	0	108.5	P645 R649	P645-K647 PolarHBondContact O-N 3.07Å; K647-R649 PolarHBondContact O-N 2.99Å
648	P	66.1	Low	71.2	Confident	75 Å²	75	93.1 Å²	93.1	49%	0.487	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-57.1	137.9	-180	24.1	-33.6	0	0	0	109.3	E782	P648-E782 HydrophobicContact CB-CG 4.49Å; P648-E782 HydrophobicContact CG-CG 4.27Å
649	R	81.6	Confident	73.8	Confident	169 Å²	169	91.7 Å²	91.7	64%	0.638	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-80.2	134	179.3	-63.5	170.5	173.4	-176.3	-0.5	109.2	K647 T651 E697	K647-R649 PolarHBondContact O-N 2.99Å; R649-T651 HydrophobicContact CB-CG2 3.85Å; R649-T651 PolarHBondContact O-N 3.2Å; R649-E697 HydrophobicContact CB-CG 4.29Å; R649-E697 VanDerWaalsContact CB-OE1 3.23Å; R649-E697 WeakPolarHBondContact CB-OE1 3.42Å; R649-E697 VanDerWaalsContact CG-OE1 3.3Å; R649-E697 WeakPolarHBondContact CG-OE1 3.22Å; R649-E697 PolarHBondContact N-OE1 2.98Å
650	F	95.9	Very high	76.6	Confident	139 Å²	139	83.4 Å²	83.4	61%	0.61	44%	0.442	S	S	*	.	S	Bend	trans	-72	80	168.4	-171.4	-104.3	0	0	0	109.7	G781 L783 K784	F650-G781 WeakPolarHBondContact CD2-O 3.34Å; F650-L783 VanDerWaalsContact CE2-O 3.29Å; F650-L783 WeakPolarHBondContact CE2-O 3.46Å; F650-K784 HydrophobicContact CD1-CB 4.13Å; F650-K784 HydrophobicContact CE1-CB 3.86Å; F650-K784 HydrophobicContact CE1-CG 4.06Å; F650-K784 HydrophobicContact CE2-CB 4.29Å; F650-K784 HydrophobicContact CG-CB 4.48Å; F650-K784 HydrophobicContact CZ-CB 3.95Å; F650-K784 HydrophobicContact CZ-CG 4.31Å
651	T	98.1	Very high	79	Confident	27 Å²	27	80.2 Å²	80.2	17%	0.166	42%	0.417	C	S	.	.	S	Bend	trans	-140.9	-171.9	-176.5	-169.1	0	0	0	0	109.2	R649 K695 E697 K784	R649-T651 HydrophobicContact CB-CG2 3.85Å; R649-T651 PolarHBondContact O-N 3.2Å; T651-K695 PolarHBondContact OG1-O 2.84Å; T651-E697 HydrophobicContact CG2-CB 4.48Å; T651-E697 HydrophobicContact CG2-CG 3.74Å; T651-K784 PolarHBondContact O-N 2.81Å
652	T	98.7	Very high	81.4	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	128.6	174.2	-53.2	0	0	0	0	111.1	C696 E697 N785 L985 L986	T652-C696 CarbonylContact O-C 3.55Å; T652-C696 WeakPolarHBondContact O-CA 3.35Å; T652-C696 WeakPolarHBondContact O-CB 3.38Å; T652-E697 PolarHBondContact O-N 3.5Å; T652-N785 CarbonylContact C-O 3.51Å; T652-N785 WeakPolarHBondContact CA-O 3.36Å; T652-N785 VanDerWaalsContact CA-OD1 3.25Å; T652-N785 WeakPolarHBondContact CA-OD1 3.22Å; T652-N785 WeakPolarHBondContact CB-OD1 3.25Å; T652-N785 PolarHBondContact OG1-OD1 3.4Å; T652-L985 HydrophobicContact CG2-CB 3.71Å; T652-L985 HydrophobicContact CG2-CD1 4.04Å; T652-L985 VanDerWaalsContact OG1-C 3.24Å; T652-L985 PolarHBondContact OG1-O 3.05Å; T652-L986 PolarHBondContact OG1-N 3.15Å
653	G	98.7	Very high	84	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	146.8	168.6	0	0	0	0	0	112.5	E697 N785 G786 F787	G653-E697 CarbonylContact C-O 3.52Å; G653-E697 WeakPolarHBondContact CA-O 3.42Å; G653-N785 PolarHBondContact N-O 3.35Å; G653-G786 CarbonylContact O-C 3.56Å; G653-G786 WeakPolarHBondContact O-CA 3.42Å; G653-F787 PolarHBondContact O-N 3.36Å
654	L	98.9	Very high	86.4	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.3	167.9	-61.7	174.5	0	0	0	109.5	W684 L687 R693 C696 E697 I699 F787 V982	L654-W684 HydrophobicContact CB-CH2 4.48Å; L654-W684 HydrophobicContact CB-CZ3 4.04Å; L654-W684 HydrophobicContact CD1-CZ3 4.38Å; L654-L687 HydrophobicContact CD1-CD1 4.32Å; L654-L687 HydrophobicContact CD2-CD1 4.44Å; L654-R693 HydrophobicContact CD1-CB 4.04Å; L654-R693 HydrophobicContact CD1-CG 4.07Å; L654-C696 HydrophobicContact CD1-CB 3.67Å; L654-C696 HydrophobicContact CG-CB 3.65Å; L654-E697 PolarHBondContact N-O 2.96Å; L654-I699 PolarHBondContact O-N 3.4Å; L654-F787 WeakPolarHBondContact CA-O 3.36Å; L654-F787 HydrophobicContact CD2-CB 3.81Å; L654-V982 HydrophobicContact CD2-CG1 4.19Å; L654-V982 HydrophobicContact CD2-CG2 3.85Å
655	V	98.8	Very high	88.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.7	171.1	68.9	0	0	0	0	110.3	I699 C770 L774 F787 A788 V789	V655-I699 HydrophobicContact CB-CB 4.19Å; V655-I699 HydrophobicContact CG2-CB 4.44Å; V655-I699 HydrophobicContact CG2-CG2 4.5Å; V655-C770 HydrophobicContact CB-CB 4.45Å; V655-C770 HydrophobicContact CG1-CB 3.95Å; V655-C770 HydrophobicContact CG2-CB 3.62Å; V655-L774 HydrophobicContact CB-CB 4.49Å; V655-L774 HydrophobicContact CG1-CB 4.02Å; V655-L774 HydrophobicContact CG1-CD2 3.95Å; V655-F787 PolarHBondContact N-O 2.66Å; V655-A788 HydrophobicContact CG1-CB 3.45Å; V655-A788 VanDerWaalsContact CG1-CB 3.45Å; V655-V789 PolarHBondContact O-N 3.24Å
656	Y	98.7	Very high	90.8	Very high	29 Å²	29	61.1 Å²	61.1	11%	0.114	31%	0.305	C	S	.	.			trans	-160.8	147.5	-178.7	170.1	-96.4	0	0	0	108.4	T658 I680 W684 V789	Y656-T658 HydrophobicContact CE1-CG2 3.8Å; Y656-I680 HydrophobicContact CD2-CB 4.47Å; Y656-I680 HydrophobicContact CD2-CD1 4.41Å; Y656-I680 HydrophobicContact CE2-CB 4.07Å; Y656-I680 HydrophobicContact CE2-CD1 3.84Å; Y656-I680 HydrophobicContact CE2-CG1 4.13Å; Y656-W684 VanDerWaalsContact CB-CE3 3.48Å; Y656-W684 AromaticContact CD1-CD1 3.9Å; Y656-W684 AromaticContact CD1-CD2 3.63Å; Y656-W684 HydrophobicContact CD1-CD2 3.63Å; Y656-W684 AromaticContact CD1-CE2 3.63Å; Y656-W684 HydrophobicContact CD1-CE3 4.17Å; Y656-W684 AromaticContact CD1-CG 3.8Å; Y656-W684 HydrophobicContact CD1-CG 3.8Å; Y656-W684 HydrophobicContact CD1-CZ2 4.16Å; Y656-W684 AromaticContact CD1-NE1 3.75Å; Y656-W684 HydrophobicContact CD2-CB 4.01Å; Y656-W684 HydrophobicContact CD2-CD2 4.13Å; Y656-W684 HydrophobicContact CD2-CE3 4.22Å; Y656-W684 HydrophobicContact CD2-CG 4.06Å; Y656-W684 HydrophobicContact CE1-CB 4.39Å; Y656-W684 AromaticContact CE1-CD1 3.65Å; Y656-W684 HydrophobicContact CE1-CD2 4.16Å; Y656-W684 AromaticContact CE1-CG 3.82Å; Y656-W684 HydrophobicContact CE1-CG 3.82Å; Y656-W684 AromaticContact CE1-NE1 3.83Å; Y656-W684 HydrophobicContact CE2-CB 3.81Å; Y656-W684 HydrophobicContact CE2-CG 4.07Å; Y656-W684 HydrophobicContact CG-CB 4.37Å; Y656-W684 AromaticContact CG-CD2 3.61Å; Y656-W684 HydrophobicContact CG-CD2 3.61Å; Y656-W684 AromaticContact CG-CE3 3.72Å; Y656-W684 HydrophobicContact CG-CE3 3.72Å; Y656-W684 AromaticContact CG-CG 3.92Å; Y656-W684 HydrophobicContact CG-CG 3.92Å; Y656-W684 HydrophobicContact CG-CZ3 4.21Å; Y656-W684 AromaticContact CZ-CG 3.95Å; Y656-V789 HydrophobicContact CD2-CB 4.08Å; Y656-V789 HydrophobicContact CD2-CG1 4Å
657	D	98.3	Very high	92.3	Very high	33 Å²	33	57.4 Å²	57.4	18%	0.176	28%	0.283	C	S	.	.			trans	-147.4	132.5	175.3	-165.6	-57.7	0	0	0	110.5	L659 M660 L766	D657-L659 PolarHBondContact O-N 2.77Å; D657-L659 WeakPolarHBondContact OD1-CB 3.35Å; D657-L659 PolarHBondContact OD1-N 3.14Å; D657-M660 HydrophobicContact CB-CE 4.07Å; D657-M660 VanDerWaalsContact N-CE 3.32Å; D657-M660 WeakPolarHBondContact O-CB 3.48Å; D657-M660 PolarHBondContact O-N 3.07Å; D657-L766 HydrophobicContact CB-CD1 4.28Å; D657-L766 HydrophobicContact CB-CD2 3.89Å; D657-L766 HydrophobicContact CB-CG 4.2Å
658	T	97.9	Very high	93.3	Very high	83 Å²	83	50.8 Å²	50.8	51%	0.509	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-68.6	-18.4	-177.1	49.8	0	0	0	0	113.5	Y656 M660 L661	Y656-T658 HydrophobicContact CE1-CG2 3.8Å; T658-M660 PolarHBondContact O-N 2.76Å; T658-L661 HydrophobicContact CG2-CD1 4.32Å; T658-L661 WeakPolarHBondContact O-CB 3.44Å; T658-L661 VanDerWaalsContact O-CG 3.29Å; T658-L661 WeakPolarHBondContact O-CG 3.36Å; T658-L661 PolarHBondContact O-N 2.82Å; T658-L661 VanDerWaalsContact O-N 3.12Å
659	L	97.4	Very high	94.1	Very high	91 Å²	91	50.5 Å²	50.5	48%	0.476	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-69.4	-22	175.2	-63.9	175.4	0	0	0	112.3	D657 L661 K662 L766	D657-L659 PolarHBondContact O-N 2.77Å; D657-L659 WeakPolarHBondContact OD1-CB 3.35Å; D657-L659 PolarHBondContact OD1-N 3.14Å; L659-L661 PolarHBondContact O-N 3.42Å; L659-K662 WeakPolarHBondContact O-CB 3.34Å; L659-K662 PolarHBondContact O-N 3.21Å; L659-K662 VanDerWaalsContact O-N 3.13Å; L659-L766 HydrophobicContact CB-CD2 3.57Å; L659-L766 HydrophobicContact CD1-CD2 4.46Å
660	M	98.2	Very high	94.1	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-66.4	-18.7	170.8	-66.9	-175	-70.8	0	0	112.9	D657 T658 K662 I680 L766 A767 V789 V790 R791	D657-M660 HydrophobicContact CB-CE 4.07Å; D657-M660 VanDerWaalsContact N-CE 3.32Å; D657-M660 WeakPolarHBondContact O-CB 3.48Å; D657-M660 PolarHBondContact O-N 3.07Å; T658-M660 PolarHBondContact O-N 2.76Å; M660-K662 VanDerWaalsContact C-N 3.27Å; M660-K662 PolarHBondContact O-N 3.28Å; M660-I680 HydrophobicContact CB-CD1 3.75Å; M660-I680 HydrophobicContact CE-CD1 4.47Å; M660-L766 HydrophobicContact CG-CB 4.28Å; M660-L766 HydrophobicContact CG-CD2 3.92Å; M660-L766 HydrophobicContact CG-CG 3.93Å; M660-A767 HydrophobicContact SD-CB 4.01Å; M660-V789 WeakPolarHBondContact CE-O 3.34Å; M660-V790 HydrophobicContact CE-CB 4.35Å; M660-V790 HydrophobicContact CE-CG1 4.01Å; M660-V790 HydrophobicContact SD-CB 3.91Å; M660-V790 HydrophobicContact SD-CG1 3.93Å; M660-R791 HydrophobicContact CB-CG 4.3Å; M660-R791 PolarHBondContact O-NH1 2.8Å
661	L	97	Very high	93.5	Very high	32 Å²	32	45.5 Å²	45.5	17%	0.168	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-68.7	-26.3	172.7	-55.7	172.5	0	0	0	112.2	T658 L659 H663 A677 I680 Q681	T658-L661 HydrophobicContact CG2-CD1 4.32Å; T658-L661 WeakPolarHBondContact O-CB 3.44Å; T658-L661 VanDerWaalsContact O-CG 3.29Å; T658-L661 WeakPolarHBondContact O-CG 3.36Å; T658-L661 PolarHBondContact O-N 2.82Å; T658-L661 VanDerWaalsContact O-N 3.12Å; L659-L661 PolarHBondContact O-N 3.42Å; L661-H663 VanDerWaalsContact C-N 3.26Å; L661-H663 PolarHBondContact O-N 3.21Å; L661-A677 HydrophobicContact CB-CB 4.06Å; L661-A677 HydrophobicContact CD2-CB 3.98Å; L661-A677 VanDerWaalsContact CD2-O 3.22Å; L661-A677 WeakPolarHBondContact CD2-O 3.36Å; L661-A677 WeakPolarHBondContact O-CB 3.42Å; L661-I680 HydrophobicContact CD2-CD1 3.68Å; L661-I680 HydrophobicContact CD2-CG1 3.64Å; L661-I680 HydrophobicContact CG-CD1 4.31Å; L661-Q681 HydrophobicContact CD2-CB 3.95Å
662	K	95.5	Very high	92.8	Very high	117 Å²	117	47.2 Å²	47.2	51%	0.509	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-73	-16.2	-174.1	-60.8	-70.2	-173.5	170.7	0	113.4	L659 M660 Q664 H759	L659-K662 WeakPolarHBondContact O-CB 3.34Å; L659-K662 PolarHBondContact O-N 3.21Å; L659-K662 VanDerWaalsContact O-N 3.13Å; M660-K662 VanDerWaalsContact C-N 3.27Å; M660-K662 PolarHBondContact O-N 3.28Å; K662-Q664 VanDerWaalsContact C-N 3.32Å; K662-Q664 PolarHBondContact O-N 2.92Å; K662-H759 HydrophobicContact CB-CB 3.83Å; K662-H759 WeakPolarHBondContact O-CB 3.33Å; K662-H759 PolarHBondContact O-CD2 3.49Å
663	H	94.7	Very high	92.4	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.014	27%	0.273	C	S	.	.			trans	-71.2	85.8	168.6	166.9	58.1	0	0	0	110	L661 E675 I754 S760 A763 R791	L661-H663 VanDerWaalsContact C-N 3.26Å; L661-H663 PolarHBondContact O-N 3.21Å; H663-E675 IonicContact CD2-OE2 3.31Å; H663-E675 IonicContact NE2-OE2 2.66Å; H663-I754 PolarHBondContact CE1-O 2.79Å; H663-I754 VanDerWaalsContact CE1-O 3.3Å; H663-S760 PolarHBondContact CE1-OG 2.8Å; H663-S760 PolarHBondContact ND1-OG 2.91Å; H663-A763 HydrophobicContact CB-CB 3.51Å; H663-R791 PolarHBondContact CD2-NH2 3.26Å; H663-R791 VanDerWaalsContact CD2-NH2 3.27Å; H663-R791 VanDerWaalsContact O-CZ 3.25Å; H663-R791 PolarHBondContact O-NH1 2.95Å; H663-R791 PolarHBondContact O-NH2 3.31Å
664	Q	92.4	Very high	92.1	Very high	77 Å²	77	50 Å²	50	36%	0.36	29%	0.287	S	S	.	.			trans	-139.9	143.1	-180	-170.9	176.3	7.5	0	0	110.4	K662 T666 N756	K662-Q664 VanDerWaalsContact C-N 3.32Å; K662-Q664 PolarHBondContact O-N 2.92Å; Q664-T666 PolarHBondContact O-N 3.4Å; Q664-N756 PolarHBondContact O-ND2 3.03Å
665	C	92	Very high	91.8	Very high	7 Å²	7	50.3 Å²	50.3	5%	0.047	29%	0.289	C	S	.	.			trans	-64.1	134.3	178.7	-169.2	0	0	0	0	110.8	C667 G668 H673 I754	C665-C667 PolarHBondContact O-N 3.22Å; C665-G668 PolarHBondContact O-N 2.72Å; C665-G668 VanDerWaalsContact O-N 3.07Å; C665-H673 PolarHBondContact SG-NE2 3.21Å; C665-H673 VanDerWaalsContact SG-NE2 3.36Å; C665-I754 HydrophobicContact CB-CB 4.13Å; C665-I754 HydrophobicContact CB-CD1 4.11Å; C665-I754 HydrophobicContact CB-CG1 4.16Å; C665-I754 HydrophobicContact CB-CG2 4.09Å
666	T	89.8	Confident	91.6	Very high	93 Å²	93	51.9 Å²	51.9	57%	0.571	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-6.3	-176.5	49.4	0	0	0	0	114	Q664 G668	Q664-T666 PolarHBondContact O-N 3.4Å; T666-G668 VanDerWaalsContact C-N 3.26Å; T666-G668 PolarHBondContact O-N 2.88Å
667	C	88.6	Confident	91.5	Very high	40 Å²	40	51 Å²	51	27%	0.27	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-19	169.4	72.6	0	0	0	0	113.7	C665 N669 H673 C744	C665-C667 PolarHBondContact O-N 3.22Å; C667-N669 PolarHBondContact O-N 3.31Å; C667-N669 PolarHBondContact SG-N 3.07Å; C667-N669 VanDerWaalsContact SG-N 3.4Å; C667-H673 VanDerWaalsContact SG-CD2 3.56Å; C667-H673 PolarHBondContact SG-NE2 3.29Å; C667-H673 VanDerWaalsContact SG-NE2 3.37Å; C667-C744 HydrophobicContact CB-CB 3.9Å; C667-C744 WeakPolarHBondContact CB-O 3.42Å
668	G	81.9	Confident	91.3	Very high	51 Å²	51	50 Å²	50	53%	0.526	29%	0.293	S	S	.	.			trans	70.4	-11.9	-176.2	0	0	0	0	0	116	C665 T666 T670	C665-G668 PolarHBondContact O-N 2.72Å; C665-G668 VanDerWaalsContact O-N 3.07Å; T666-G668 VanDerWaalsContact C-N 3.26Å; T666-G668 PolarHBondContact O-N 2.88Å; G668-T670 PolarHBondContact O-N 2.8Å
669	N	83.5	Confident	91.3	Very high	69 Å²	69	46.1 Å²	46.1	37%	0.369	27%	0.268	S	S	.	.			trans	-85.6	95.9	-174.5	-174.6	18.8	0	0	0	112.7	C667 N671 S672 H673	C667-N669 PolarHBondContact O-N 3.31Å; C667-N669 PolarHBondContact SG-N 3.07Å; C667-N669 VanDerWaalsContact SG-N 3.4Å; N669-N671 PolarHBondContact O-N 3.09Å; N669-N671 WeakPolarHBondContact OD1-CB 3.34Å; N669-N671 PolarHBondContact OD1-N 3.25Å; N669-S672 PolarHBondContact ND2-OG 3.36Å; N669-S672 PolarHBondContact O-N 2.91Å; N669-H673 PolarHBondContact O-CD2 2.83Å
670	T	81.9	Confident	91.4	Very high	52 Å²	52	41.8 Å²	41.8	32%	0.319	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-60.2	-28.8	174.5	49.8	0	0	0	0	113.2	G668 S672 H673 H676	G668-T670 PolarHBondContact O-N 2.8Å; T670-S672 PolarHBondContact O-N 3.43Å; T670-S672 VanDerWaalsContact O-N 3.1Å; T670-H673 CarbonylContact O-C 3.58Å; T670-H673 PolarHBondContact O-N 3.17Å; T670-H673 VanDerWaalsContact O-O 3.13Å; T670-H676 HydrophobicContact CG2-CB 4.16Å
671	N	82.5	Confident	91.4	Very high	150 Å²	150	46.6 Å²	46.6	80%	0.802	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-70.8	-8.2	-178	-56.7	-1.9	0	0	0	112.9	N669	N669-N671 PolarHBondContact O-N 3.09Å; N669-N671 WeakPolarHBondContact OD1-CB 3.34Å; N669-N671 PolarHBondContact OD1-N 3.25Å
672	S	84.2	Confident	91.4	Very high	63 Å²	63	46.8 Å²	46.8	44%	0.441	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-103.5	-1.6	171.4	-65.7	0	0	0	0	113.6	N669 T670	N669-S672 PolarHBondContact ND2-OG 3.36Å; N669-S672 PolarHBondContact O-N 2.91Å; T670-S672 PolarHBondContact O-N 3.43Å; T670-S672 VanDerWaalsContact O-N 3.1Å
673	H	89.2	Confident	91.6	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.065	25%	0.248	C	C	.	.			trans	-138.3	90.8	-173	-64.2	-57.6	0	0	0	110.2	C665 C667 N669 T670 E675 C744 I754	C665-H673 PolarHBondContact SG-NE2 3.21Å; C665-H673 VanDerWaalsContact SG-NE2 3.36Å; C667-H673 VanDerWaalsContact SG-CD2 3.56Å; C667-H673 PolarHBondContact SG-NE2 3.29Å; C667-H673 VanDerWaalsContact SG-NE2 3.37Å; N669-H673 PolarHBondContact O-CD2 2.83Å; T670-H673 CarbonylContact O-C 3.58Å; T670-H673 PolarHBondContact O-N 3.17Å; T670-H673 VanDerWaalsContact O-O 3.13Å; H673-E675 PolarHBondContact O-N 3.26Å; H673-C744 PolarHBondContact NE2-SG 3.17Å; H673-I754 VanDerWaalsContact CE1-CG2 3.48Å; H673-I754 WeakPolarHBondContact CE1-CG2 3.31Å; H673-I754 WeakPolarHBondContact ND1-CG2 3.41Å
674	P	91.8	Very high	91.8	Very high	45 Å²	45	42.5 Å²	42.5	29%	0.292	25%	0.253	S	S	.	.	S	Bend	trans	-58.6	-31.9	-179.3	-25.8	35.7	0	0	0	113.5	H676 F805 L936 H969	P674-H676 PolarHBondContact O-CD2 3.46Å; P674-H676 PolarHBondContact O-N 2.89Å; P674-F805 HydrophobicContact CB-CZ 4.48Å; P674-L936 HydrophobicContact CB-CD1 4.38Å; P674-L936 HydrophobicContact CG-CD1 4.25Å; P674-H969 HydrophobicContact CB-CB 4.13Å; P674-H969 WeakPolarHBondContact CB-ND1 3.3Å; P674-H969 PolarHBondContact O-ND1 3.22Å
675	E	94.3	Very high	92.1	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.037	25%	0.25	C	S	.	.	S	Bend	trans	-85	101.8	167.2	-146.9	-57.3	107	0	0	109.3	H663 H673 R679 R791 P793 F805	H663-E675 IonicContact CD2-OE2 3.31Å; H663-E675 IonicContact NE2-OE2 2.66Å; H673-E675 PolarHBondContact O-N 3.26Å; E675-R679 WeakPolarHBondContact OE1-CD 3.44Å; E675-R679 IonicContact OE1-CZ 3.27Å; E675-R679 IonicContact OE1-NE 2.68Å; E675-R679 IonicContact OE1-NH1 2.74Å; E675-R679 PolarHBondContact OE1-NH1 3.05Å; E675-R791 VanDerWaalsContact CD-NE 3.29Å; E675-R791 IonicContact OE1-CZ 3.2Å; E675-R791 IonicContact OE1-NE 3.92Å; E675-R791 PolarHBondContact OE1-NE 3.31Å; E675-R791 IonicContact OE1-NH2 2.77Å; E675-R791 IonicContact OE2-CZ 2.71Å; E675-R791 IonicContact OE2-NE 3.39Å; E675-R791 PolarHBondContact OE2-NE 2.77Å; E675-R791 IonicContact OE2-NH2 2.76Å; E675-R791 PolarHBondContact OE2-NH2 2.92Å; E675-P793 HydrophobicContact CG-CG 4.34Å; E675-F805 HydrophobicContact CB-CB 3.98Å; E675-F805 HydrophobicContact CB-CD1 3.57Å; E675-F805 HydrophobicContact CB-CD2 4.1Å; E675-F805 HydrophobicContact CB-CE1 4.04Å; E675-F805 HydrophobicContact CB-CG 3.61Å; E675-F805 HydrophobicContact CB-CZ 4.49Å; E675-F805 HydrophobicContact CG-CB 3.93Å; E675-F805 HydrophobicContact CG-CD1 4.45Å; E675-F805 HydrophobicContact CG-CD2 4.41Å; E675-F805 HydrophobicContact CG-CG 4.03Å
676	H	94.3	Very high	92.4	Very high	33 Å²	33	43.2 Å²	43.2	15%	0.153	26%	0.258	C	S	.	.			trans	-141.1	157.7	-179.7	71.4	106.4	0	0	0	112.6	T670 P674 G678 R679	T670-H676 HydrophobicContact CG2-CB 4.16Å; P674-H676 PolarHBondContact O-CD2 3.46Å; P674-H676 PolarHBondContact O-N 2.89Å; H676-G678 PolarHBondContact ND1-N 3.49Å; H676-G678 PolarHBondContact O-N 3.35Å; H676-R679 WeakPolarHBondContact O-CB 3.43Å; H676-R679 WeakPolarHBondContact O-CG 3.48Å; H676-R679 PolarHBondContact O-N 2.97Å
677	A	95.5	Very high	92.8	Very high	9 Å²	9	38.8 Å²	38.8	7%	0.074	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-29.1	-176.7	0	0	0	0	0	115	L661 R679 Q681	L661-A677 HydrophobicContact CB-CB 4.06Å; L661-A677 HydrophobicContact CD2-CB 3.98Å; L661-A677 VanDerWaalsContact CD2-O 3.22Å; L661-A677 WeakPolarHBondContact CD2-O 3.36Å; L661-A677 WeakPolarHBondContact O-CB 3.42Å; A677-R679 PolarHBondContact O-N 3.24Å; A677-Q681 PolarHBondContact O-N 2.82Å
678	G	95.1	Very high	93.3	Very high	14 Å²	14	41.6 Å²	41.6	14%	0.144	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-24.8	179.3	0	0	0	0	0	114.1	H676 S682	H676-G678 PolarHBondContact ND1-N 3.49Å; H676-G678 PolarHBondContact O-N 3.35Å; G678-S682 VanDerWaalsContact O-CB 3.3Å; G678-S682 WeakPolarHBondContact O-CB 3.38Å; G678-S682 PolarHBondContact O-N 2.93Å; G678-S682 PolarHBondContact O-OG 2.98Å
679	R	98.4	Very high	94.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-65.2	178.4	-65.6	171.7	66.9	-122.8	-4.3	111.7	E675 H676 A677 Q681 S682 I683 E966 G967 G968 L971 I974	E675-R679 WeakPolarHBondContact OE1-CD 3.44Å; E675-R679 IonicContact OE1-CZ 3.27Å; E675-R679 IonicContact OE1-NE 2.68Å; E675-R679 IonicContact OE1-NH1 2.74Å; E675-R679 PolarHBondContact OE1-NH1 3.05Å; H676-R679 WeakPolarHBondContact O-CB 3.43Å; H676-R679 WeakPolarHBondContact O-CG 3.48Å; H676-R679 PolarHBondContact O-N 2.97Å; A677-R679 PolarHBondContact O-N 3.24Å; R679-Q681 VanDerWaalsContact C-N 3.27Å; R679-Q681 PolarHBondContact O-N 3.12Å; R679-S682 PolarHBondContact O-N 3.49Å; R679-I683 WeakPolarHBondContact O-CG1 3.41Å; R679-I683 PolarHBondContact O-N 3.45Å; R679-I683 VanDerWaalsContact O-N 3.11Å; R679-E966 PolarHBondContact NH1-O 2.9Å; R679-E966 PolarHBondContact NH2-O 2.91Å; R679-G967 PolarHBondContact NH2-O 3.36Å; R679-G968 VanDerWaalsContact CZ-O 3.25Å; R679-G968 PolarHBondContact NE-O 2.92Å; R679-G968 PolarHBondContact NH2-O 3.12Å; R679-L971 HydrophobicContact CG-CD2 4.29Å; R679-I974 HydrophobicContact CB-CD1 3.77Å; R679-I974 HydrophobicContact CG-CD1 3.94Å
680	I	98.5	Very high	94.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.7	-30.1	179.7	59.4	160	0	0	0	112.6	Y656 M660 L661 W684 V789 V790 R791 L965	Y656-I680 HydrophobicContact CD2-CB 4.47Å; Y656-I680 HydrophobicContact CD2-CD1 4.41Å; Y656-I680 HydrophobicContact CE2-CB 4.07Å; Y656-I680 HydrophobicContact CE2-CD1 3.84Å; Y656-I680 HydrophobicContact CE2-CG1 4.13Å; M660-I680 HydrophobicContact CB-CD1 3.75Å; M660-I680 HydrophobicContact CE-CD1 4.47Å; L661-I680 HydrophobicContact CD2-CD1 3.68Å; L661-I680 HydrophobicContact CD2-CG1 3.64Å; L661-I680 HydrophobicContact CG-CD1 4.31Å; I680-W684 VanDerWaalsContact O-CB 3.29Å; I680-W684 WeakPolarHBondContact O-CB 3.28Å; I680-W684 PolarHBondContact O-N 3.13Å; I680-V789 HydrophobicContact CB-CG1 3.85Å; I680-V789 HydrophobicContact CG2-CG1 3.98Å; I680-V790 WeakPolarHBondContact CG2-O 3.39Å; I680-R791 HydrophobicContact CD1-CG 3.73Å; I680-R791 HydrophobicContact CG1-CG 3.95Å; I680-R791 HydrophobicContact CG2-CB 4.1Å; I680-R791 HydrophobicContact CG2-CG 3.94Å; I680-L965 HydrophobicContact CG2-CD2 3.8Å
681	Q	98.2	Very high	95.5	Very high	102 Å²	102	44.6 Å²	44.6	48%	0.477	25%	0.247	S	C	.	.	H	α-helix	trans	-66.7	-45.9	177.7	-171.7	175	-1.4	0	0	111.2	L661 A677 R679 W684 S685	L661-Q681 HydrophobicContact CD2-CB 3.95Å; A677-Q681 PolarHBondContact O-N 2.82Å; R679-Q681 VanDerWaalsContact C-N 3.27Å; R679-Q681 PolarHBondContact O-N 3.12Å; Q681-W684 PolarHBondContact O-N 3.44Å; Q681-S685 WeakPolarHBondContact O-CB 3.36Å; Q681-S685 PolarHBondContact O-N 2.96Å; Q681-S685 PolarHBondContact O-OG 2.73Å
682	S	98.3	Very high	96.3	Very high	36 Å²	36	37.9 Å²	37.9	25%	0.252	21%	0.211	S	C	.	.	H	α-helix	trans	-66.7	-43.1	178.9	-54.4	0	0	0	0	111.3	G678 R679 W684 S685 R686 C975	G678-S682 VanDerWaalsContact O-CB 3.3Å; G678-S682 WeakPolarHBondContact O-CB 3.38Å; G678-S682 PolarHBondContact O-N 2.93Å; G678-S682 PolarHBondContact O-OG 2.98Å; R679-S682 PolarHBondContact O-N 3.49Å; S682-W684 PolarHBondContact O-N 3.13Å; S682-S685 PolarHBondContact O-N 3.33Å; S682-R686 PolarHBondContact O-N 3.45Å; S682-C975 VanDerWaalsContact CB-SG 3.56Å; S682-C975 PolarHBondContact O-SG 3.33Å
683	I	98.8	Very high	96.9	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-59	-47.3	175	-67.5	164.6	0	0	0	110.5	R679 S685 R686 L687 V789 L965 I974 C975 S978	R679-I683 WeakPolarHBondContact O-CG1 3.41Å; R679-I683 PolarHBondContact O-N 3.45Å; R679-I683 VanDerWaalsContact O-N 3.11Å; I683-S685 PolarHBondContact O-N 3.06Å; I683-R686 PolarHBondContact O-N 3.47Å; I683-L687 HydrophobicContact CG2-CD1 4Å; I683-L687 HydrophobicContact CG2-CG 4.4Å; I683-L687 WeakPolarHBondContact O-CG 3.09Å; I683-L687 PolarHBondContact O-N 3.47Å; I683-V789 HydrophobicContact CB-CG1 3.97Å; I683-V789 HydrophobicContact CG2-CG1 3.68Å; I683-V789 HydrophobicContact CG2-CG2 4.07Å; I683-L965 HydrophobicContact CD1-CD1 4.09Å; I683-L965 HydrophobicContact CD1-CD2 3.58Å; I683-I974 HydrophobicContact CD1-CB 4.17Å; I683-I974 HydrophobicContact CD1-CD1 4.01Å; I683-I974 HydrophobicContact CD1-CG1 3.94Å; I683-I974 HydrophobicContact CG1-CB 4.49Å; I683-I974 HydrophobicContact CG1-CD1 4.32Å; I683-I974 HydrophobicContact CG1-CG1 3.96Å; I683-C975 PolarHBondContact N-SG 3.47Å; I683-S978 WeakPolarHBondContact CG2-OG 3.37Å
684	W	98.7	Very high	97.3	Very high	28 Å²	28	41.3 Å²	41.3	11%	0.106	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-41	179.7	-170.3	-108.6	0	0	0	112.4	L654 Y656 I680 Q681 S682 L687 Q688 R693 V789	L654-W684 HydrophobicContact CB-CH2 4.48Å; L654-W684 HydrophobicContact CB-CZ3 4.04Å; L654-W684 HydrophobicContact CD1-CZ3 4.38Å; Y656-W684 VanDerWaalsContact CB-CE3 3.48Å; Y656-W684 AromaticContact CD1-CD1 3.9Å; Y656-W684 AromaticContact CD1-CD2 3.63Å; Y656-W684 HydrophobicContact CD1-CD2 3.63Å; Y656-W684 AromaticContact CD1-CE2 3.63Å; Y656-W684 HydrophobicContact CD1-CE3 4.17Å; Y656-W684 AromaticContact CD1-CG 3.8Å; Y656-W684 HydrophobicContact CD1-CG 3.8Å; Y656-W684 HydrophobicContact CD1-CZ2 4.16Å; Y656-W684 AromaticContact CD1-NE1 3.75Å; Y656-W684 HydrophobicContact CD2-CB 4.01Å; Y656-W684 HydrophobicContact CD2-CD2 4.13Å; Y656-W684 HydrophobicContact CD2-CE3 4.22Å; Y656-W684 HydrophobicContact CD2-CG 4.06Å; Y656-W684 HydrophobicContact CE1-CB 4.39Å; Y656-W684 AromaticContact CE1-CD1 3.65Å; Y656-W684 HydrophobicContact CE1-CD2 4.16Å; Y656-W684 AromaticContact CE1-CG 3.82Å; Y656-W684 HydrophobicContact CE1-CG 3.82Å; Y656-W684 AromaticContact CE1-NE1 3.83Å; Y656-W684 HydrophobicContact CE2-CB 3.81Å; Y656-W684 HydrophobicContact CE2-CG 4.07Å; Y656-W684 HydrophobicContact CG-CB 4.37Å; Y656-W684 AromaticContact CG-CD2 3.61Å; Y656-W684 HydrophobicContact CG-CD2 3.61Å; Y656-W684 AromaticContact CG-CE3 3.72Å; Y656-W684 HydrophobicContact CG-CE3 3.72Å; Y656-W684 AromaticContact CG-CG 3.92Å; Y656-W684 HydrophobicContact CG-CG 3.92Å; Y656-W684 HydrophobicContact CG-CZ3 4.21Å; Y656-W684 AromaticContact CZ-CG 3.95Å; I680-W684 VanDerWaalsContact O-CB 3.29Å; I680-W684 WeakPolarHBondContact O-CB 3.28Å; I680-W684 PolarHBondContact O-N 3.13Å; Q681-W684 PolarHBondContact O-N 3.44Å; S682-W684 PolarHBondContact O-N 3.13Å; W684-L687 PolarHBondContact O-N 2.93Å; W684-Q688 WeakPolarHBondContact O-CG 3.44Å; W684-Q688 PolarHBondContact O-N 2.89Å; W684-R693 HydrophobicContact CH2-CG 3.86Å; W684-R693 HydrophobicContact CZ2-CG 4.07Å; W684-R693 HydrophobicContact CZ3-CG 4.3Å; W684-V789 HydrophobicContact CE3-CG2 4.3Å
685	S	98.5	Very high	97.6	Very high	44 Å²	44	44 Å²	44	31%	0.308	24%	0.24	S	C	.	.	H	α-helix	trans	-58.2	-49.6	171.1	-79.6	0	0	0	0	111.9	Q681 S682 I683 L687 Q688 E689	Q681-S685 WeakPolarHBondContact O-CB 3.36Å; Q681-S685 PolarHBondContact O-N 2.96Å; Q681-S685 PolarHBondContact O-OG 2.73Å; S682-S685 PolarHBondContact O-N 3.33Å; I683-S685 PolarHBondContact O-N 3.06Å; S685-L687 PolarHBondContact O-N 2.79Å; S685-Q688 WeakPolarHBondContact O-CA 3.35Å; S685-Q688 WeakPolarHBondContact O-CB 3.44Å; S685-Q688 PolarHBondContact O-N 2.77Å; S685-E689 WeakPolarHBondContact O-CB 3.4Å; S685-E689 WeakPolarHBondContact O-CG 3.33Å; S685-E689 PolarHBondContact O-N 3.09Å
686	R	98.7	Very high	97.8	Very high	55 Å²	55	44.3 Å²	44.3	21%	0.208	24%	0.242	C	C	.	.	H	α-helix	trans	-58.2	-46.5	178	-177.7	68.8	77.5	76.4	6.2	111.9	S682 I683 Q688 E689 T690 C975 D976 E979	S682-R686 PolarHBondContact O-N 3.45Å; I683-R686 PolarHBondContact O-N 3.47Å; R686-Q688 PolarHBondContact O-N 2.79Å; R686-E689 PolarHBondContact O-N 3.19Å; R686-T690 HydrophobicContact CG-CG2 4.04Å; R686-T690 WeakPolarHBondContact O-CB 3.37Å; R686-T690 WeakPolarHBondContact O-CG2 3.48Å; R686-T690 PolarHBondContact O-N 3.17Å; R686-T690 PolarHBondContact O-OG1 3.27Å; R686-C975 HydrophobicContact CB-CB 4.1Å; R686-C975 HydrophobicContact CG-CB 4.19Å; R686-D976 IonicContact CZ-OD1 3.76Å; R686-D976 IonicContact NH1-OD1 3.13Å; R686-D976 PolarHBondContact NH1-OD1 2.97Å; R686-D976 IonicContact NH2-OD1 2.96Å; R686-D976 PolarHBondContact NH2-OD1 2.75Å; R686-E979 VanDerWaalsContact CD-OE2 3.25Å; R686-E979 WeakPolarHBondContact CD-OE2 3.24Å; R686-E979 HydrophobicContact CG-CB 4.38Å; R686-E979 WeakPolarHBondContact CG-OE2 3.39Å; R686-E979 IonicContact CZ-OE2 2.79Å; R686-E979 IonicContact NE-OE2 2.75Å; R686-E979 IonicContact NH1-OE2 3.47Å; R686-E979 PolarHBondContact NH1-OE2 3.22Å
687	L	98.7	Very high	98	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-25.4	178.2	-66.4	177.4	0	0	0	112.6	L654 I683 W684 S685 T690 L692 R693 V789 V982	L654-L687 HydrophobicContact CD1-CD1 4.32Å; L654-L687 HydrophobicContact CD2-CD1 4.44Å; I683-L687 HydrophobicContact CG2-CD1 4Å; I683-L687 HydrophobicContact CG2-CG 4.4Å; I683-L687 WeakPolarHBondContact O-CG 3.09Å; I683-L687 PolarHBondContact O-N 3.47Å; W684-L687 PolarHBondContact O-N 2.93Å; S685-L687 PolarHBondContact O-N 2.79Å; L687-T690 PolarHBondContact O-OG1 3.22Å; L687-L692 HydrophobicContact CD2-CB 4.21Å; L687-L692 HydrophobicContact CD2-CD1 3.93Å; L687-L692 PolarHBondContact O-N 3.41Å; L687-R693 HydrophobicContact CB-CB 4.32Å; L687-R693 VanDerWaalsContact O-CB 3.23Å; L687-R693 WeakPolarHBondContact O-CB 3.44Å; L687-R693 PolarHBondContact O-N 3.39Å; L687-V789 HydrophobicContact CD1-CG2 4.13Å; L687-V982 HydrophobicContact CD1-CG2 4.15Å; L687-V982 HydrophobicContact CD2-CB 3.87Å; L687-V982 HydrophobicContact CD2-CG1 4.09Å; L687-V982 HydrophobicContact CD2-CG2 3.91Å
688	Q	98.3	Very high	98.1	Very high	99 Å²	99	47.8 Å²	47.8	46%	0.463	26%	0.263	S	S	.	.	H	α-helix	trans	-77.8	-48	170.8	-72.4	-176.6	-16.2	0	0	112.6	W684 S685 R686 G691 R693	W684-Q688 WeakPolarHBondContact O-CG 3.44Å; W684-Q688 PolarHBondContact O-N 2.89Å; S685-Q688 WeakPolarHBondContact O-CA 3.35Å; S685-Q688 WeakPolarHBondContact O-CB 3.44Å; S685-Q688 PolarHBondContact O-N 2.77Å; R686-Q688 PolarHBondContact O-N 2.79Å; Q688-G691 WeakPolarHBondContact O-CA 3.41Å; Q688-G691 PolarHBondContact O-N 3.48Å; Q688-R693 HydrophobicContact CG-CB 4.31Å; Q688-R693 HydrophobicContact CG-CG 4.35Å
689	E	98.1	Very high	98.2	Very high	149 Å²	149	47.9 Å²	47.9	70%	0.696	26%	0.26	S	S	*	.	H	α-helix	trans	-63.8	-41.3	-176.5	-72.5	163	-161.2	0	0	112.6	S685 R686 G691	S685-E689 WeakPolarHBondContact O-CB 3.4Å; S685-E689 WeakPolarHBondContact O-CG 3.33Å; S685-E689 PolarHBondContact O-N 3.09Å; R686-E689 PolarHBondContact O-N 3.19Å; E689-G691 PolarHBondContact O-N 2.81Å
690	T	98.2	Very high	98.2	Very high	52 Å²	52	58.3 Å²	58.3	32%	0.319	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-9.1	173.6	57.4	0	0	0	0	113.4	R686 L687 L692 E979	R686-T690 HydrophobicContact CG-CG2 4.04Å; R686-T690 WeakPolarHBondContact O-CB 3.37Å; R686-T690 WeakPolarHBondContact O-CG2 3.48Å; R686-T690 PolarHBondContact O-N 3.17Å; R686-T690 PolarHBondContact O-OG1 3.27Å; L687-T690 PolarHBondContact O-OG1 3.22Å; T690-L692 PolarHBondContact O-N 3.16Å; T690-L692 WeakPolarHBondContact OG1-CG 3.47Å; T690-E979 HydrophobicContact CG2-CG 4.14Å; T690-E979 VanDerWaalsContact CG2-OE1 3.25Å; T690-E979 WeakPolarHBondContact CG2-OE1 3.35Å; T690-E979 WeakPolarHBondContact CG2-OE2 3.49Å
691	G	98	Very high	98.1	Very high	34 Å²	34	58.8 Å²	58.8	35%	0.351	30%	0.304	S	S	.	.	S	Bend	trans	71.7	0.9	-175.3	0	0	0	0	0	115	Q688 E689 R693 G694	Q688-G691 WeakPolarHBondContact O-CA 3.41Å; Q688-G691 PolarHBondContact O-N 3.48Å; E689-G691 PolarHBondContact O-N 2.81Å; G691-R693 VanDerWaalsContact C-N 3.32Å; G691-R693 PolarHBondContact O-N 3.12Å; G691-G694 WeakPolarHBondContact O-CA 3.42Å; G691-G694 PolarHBondContact O-N 3.29Å
692	L	98.4	Very high	98.2	Very high	9 Å²	9	57.3 Å²	57.3	5%	0.047	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-59	-41.8	179.6	-68.5	-179	0	0	0	112	L687 T690 G694 K695 C696 E979 V982 L986	L687-L692 HydrophobicContact CD2-CB 4.21Å; L687-L692 HydrophobicContact CD2-CD1 3.93Å; L687-L692 PolarHBondContact O-N 3.41Å; T690-L692 PolarHBondContact O-N 3.16Å; T690-L692 WeakPolarHBondContact OG1-CG 3.47Å; L692-G694 PolarHBondContact O-N 3.27Å; L692-G694 VanDerWaalsContact O-N 3.11Å; L692-K695 HydrophobicContact CD2-CD 4.35Å; L692-K695 WeakPolarHBondContact O-CB 3.34Å; L692-K695 PolarHBondContact O-N 2.98Å; L692-C696 PolarHBondContact O-N 3.45Å; L692-C696 PolarHBondContact O-SG 3.41Å; L692-E979 HydrophobicContact CD1-CB 4.48Å; L692-E979 HydrophobicContact CD1-CG 3.76Å; L692-V982 HydrophobicContact CB-CG1 4.13Å; L692-V982 HydrophobicContact CD1-CB 4.36Å; L692-V982 HydrophobicContact CD1-CG1 4.25Å; L692-L986 HydrophobicContact CD2-CD1 3.89Å
693	R	97.9	Very high	98.2	Very high	91 Å²	91	61 Å²	61	34%	0.343	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-60.2	-21	173.9	-172.3	-92.5	171.4	-159	0.7	113.2	L654 W684 L687 Q688 G691 C698	L654-R693 HydrophobicContact CD1-CB 4.04Å; L654-R693 HydrophobicContact CD1-CG 4.07Å; W684-R693 HydrophobicContact CH2-CG 3.86Å; W684-R693 HydrophobicContact CZ2-CG 4.07Å; W684-R693 HydrophobicContact CZ3-CG 4.3Å; L687-R693 HydrophobicContact CB-CB 4.32Å; L687-R693 VanDerWaalsContact O-CB 3.23Å; L687-R693 WeakPolarHBondContact O-CB 3.44Å; L687-R693 PolarHBondContact O-N 3.39Å; Q688-R693 HydrophobicContact CG-CB 4.31Å; Q688-R693 HydrophobicContact CG-CG 4.35Å; G691-R693 VanDerWaalsContact C-N 3.32Å; G691-R693 PolarHBondContact O-N 3.12Å; R693-C698 VanDerWaalsContact NH2-CB 3.3Å; R693-C698 PolarHBondContact NH2-SG 2.86Å
694	G	97	Very high	98.2	Very high	59 Å²	59	60.9 Å²	60.9	61%	0.608	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-82	-13.2	172.7	0	0	0	0	0	114.7	G691 L692	G691-G694 WeakPolarHBondContact O-CA 3.42Å; G691-G694 PolarHBondContact O-N 3.29Å; L692-G694 PolarHBondContact O-N 3.27Å; L692-G694 VanDerWaalsContact O-N 3.11Å
695	K	97.6	Very high	98.1	Very high	102 Å²	102	62.1 Å²	62.1	44%	0.443	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-23.7	172.5	-61.4	175.9	173.9	179	0	112.4	T651 L692 L986 N988	T651-K695 PolarHBondContact OG1-O 2.84Å; L692-K695 HydrophobicContact CD2-CD 4.35Å; L692-K695 WeakPolarHBondContact O-CB 3.34Å; L692-K695 PolarHBondContact O-N 2.98Å; K695-L986 HydrophobicContact CB-CD1 3.84Å; K695-L986 HydrophobicContact CB-CD2 3.77Å; K695-L986 HydrophobicContact CB-CG 4.48Å; K695-L986 HydrophobicContact CD-CD1 3.87Å; K695-N988 PolarHBondContact NZ-OD1 3.29Å
696	C	98.3	Very high	98.1	Very high	14 Å²	14	62.4 Å²	62.4	10%	0.095	31%	0.314	C	S	.	.	S	Bend	trans	-88.2	159.4	179.8	-60.6	0	0	0	0	113.3	T652 L654 L692	T652-C696 CarbonylContact O-C 3.55Å; T652-C696 WeakPolarHBondContact O-CA 3.35Å; T652-C696 WeakPolarHBondContact O-CB 3.38Å; L654-C696 HydrophobicContact CD1-CB 3.67Å; L654-C696 HydrophobicContact CG-CB 3.65Å; L692-C696 PolarHBondContact O-N 3.45Å; L692-C696 PolarHBondContact O-SG 3.41Å
697	E	98.1	Very high	98	Very high	54 Å²	54	66.3 Å²	66.3	25%	0.252	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	137.1	164.3	-69.2	-67.8	178.2	0	0	110.1	R649 T651 T652 G653 L654 I699 L783	R649-E697 HydrophobicContact CB-CG 4.29Å; R649-E697 VanDerWaalsContact CB-OE1 3.23Å; R649-E697 WeakPolarHBondContact CB-OE1 3.42Å; R649-E697 VanDerWaalsContact CG-OE1 3.3Å; R649-E697 WeakPolarHBondContact CG-OE1 3.22Å; R649-E697 PolarHBondContact N-OE1 2.98Å; T651-E697 HydrophobicContact CG2-CB 4.48Å; T651-E697 HydrophobicContact CG2-CG 3.74Å; T652-E697 PolarHBondContact O-N 3.5Å; G653-E697 CarbonylContact C-O 3.52Å; G653-E697 WeakPolarHBondContact CA-O 3.42Å; L654-E697 PolarHBondContact N-O 2.96Å; E697-I699 HydrophobicContact CB-CD1 4.37Å; E697-L783 HydrophobicContact CB-CD2 3.96Å; E697-L783 HydrophobicContact CG-CD2 4.25Å
698	C	97.7	Very high	98	Very high	60 Å²	60	66.5 Å²	66.5	41%	0.405	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	106.5	-177	-166.9	0	0	0	0	110.3	R693	R693-C698 VanDerWaalsContact NH2-CB 3.3Å; R693-C698 PolarHBondContact NH2-SG 2.86Å
699	I	98	Very high	98.1	Very high	16 Å²	16	61.8 Å²	61.8	8%	0.082	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	137.1	-176.5	-52.3	-50.1	0	0	0	109.8	L654 V655 E697 E773 L774 K777 L783	L654-I699 PolarHBondContact O-N 3.4Å; V655-I699 HydrophobicContact CB-CB 4.19Å; V655-I699 HydrophobicContact CG2-CB 4.44Å; V655-I699 HydrophobicContact CG2-CG2 4.5Å; E697-I699 HydrophobicContact CB-CD1 4.37Å; I699-E773 HydrophobicContact CG2-CB 4.39Å; I699-L774 HydrophobicContact CG1-CD1 4.02Å; I699-K777 HydrophobicContact CD1-CD 3.96Å; I699-K777 HydrophobicContact CG1-CD 4.43Å; I699-K777 HydrophobicContact CG2-CD 3.99Å; I699-L783 HydrophobicContact CD1-CD1 3.92Å; I699-L783 HydrophobicContact CD1-CD2 4.34Å; I699-L783 HydrophobicContact CG1-CD1 3.97Å
700	R	97.8	Very high	98.1	Very high	219 Å²	219	58.3 Å²	58.3	83%	0.826	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-86.6	124	175.5	-174.2	177.9	-176.4	171.3	3.1	109.4
701	G	97.6	Very high	98.1	Very high	10 Å²	10	56.9 Å²	56.9	10%	0.103	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-73.2	172	173.5	0	0	0	0	0	113.9
702	R	98.4	Very high	98.1	Very high	71 Å²	71	56.1 Å²	56.1	27%	0.268	28%	0.277	S	S	.	.			trans	-147.1	168.1	170.2	63.8	175.4	177.2	84.5	-2.6	110.1	E708 L766 G769 E773	R702-E708 IonicContact CZ-OE1 2.71Å; R702-E708 IonicContact CZ-OE2 3.9Å; R702-E708 IonicContact NH1-OE1 3.12Å; R702-E708 PolarHBondContact NH1-OE1 3.27Å; R702-E708 IonicContact NH1-OE2 3.88Å; R702-E708 PolarHBondContact NH1-OE2 2.75Å; R702-E708 IonicContact NH2-OE1 3.16Å; R702-E708 PolarHBondContact NH2-OE1 3.11Å; R702-E708 IonicContact NH2-OE2 2.69Å; R702-E708 PolarHBondContact NH2-OE2 3.06Å; R702-L766 VanDerWaalsContact C-CD1 3.5Å; R702-L766 WeakPolarHBondContact O-CD1 3.48Å; R702-G769 CarbonylContact O-C 3.54Å; R702-G769 WeakPolarHBondContact O-CA 3.45Å; R702-E773 HydrophobicContact CG-CG 3.91Å; R702-E773 IonicContact CZ-OE1 3.33Å; R702-E773 IonicContact NE-OE1 3.7Å; R702-E773 PolarHBondContact NE-OE1 3.25Å; R702-E773 IonicContact NH2-OE1 3.36Å
703	K	98.5	Very high	98.1	Very high	113 Å²	113	56 Å²	56	49%	0.491	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-74.2	136.6	165.1	-67.5	169.6	-175.8	168.4	0	109.3	R765 L766	K703-R765 CarbonylContact C-O 3.5Å; K703-R765 WeakPolarHBondContact CA-O 3.48Å; K703-R765 HydrophobicContact CB-CB 4.24Å; K703-R765 HydrophobicContact CG-CB 4.41Å; K703-L766 HydrophobicContact CG-CB 4.3Å
704	A	98.6	Very high	98.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-60.8	147.3	166.7	0	0	0	0	0	110.5	E708 L709 R765 V768	A704-E708 WeakPolarHBondContact CA-OE2 3.17Å; A704-E708 HydrophobicContact CB-CB 4.32Å; A704-L709 HydrophobicContact CB-CD2 4.04Å; A704-L709 HydrophobicContact CB-CG 4.41Å; A704-R765 PolarHBondContact N-O 3.16Å; A704-R765 VanDerWaalsContact O-CZ 3.28Å; A704-R765 PolarHBondContact O-NE 3.37Å; A704-R765 PolarHBondContact O-NH2 2.91Å; A704-V768 HydrophobicContact CB-CB 3.96Å; A704-V768 HydrophobicContact CB-CG1 3.75Å
705	T	98.2	Very high	98.1	Very high	54 Å²	54	55.9 Å²	55.9	33%	0.331	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-72.7	163.6	169.2	73.8	0	0	0	0	110	E707 E708 L709	T705-E707 VanDerWaalsContact C-N 3.3Å; T705-E708 PolarHBondContact N-OE2 2.87Å; T705-E708 PolarHBondContact O-N 3.37Å; T705-E708 VanDerWaalsContact OG1-CG 3.3Å; T705-E708 WeakPolarHBondContact OG1-CG 3.49Å; T705-E708 PolarHBondContact OG1-N 3.11Å; T705-L709 WeakPolarHBondContact O-CG 3.44Å; T705-L709 PolarHBondContact O-N 2.84Å
706	L	97.2	Very high	97.9	Very high	49 Å²	49	53.6 Å²	53.6	26%	0.257	27%	0.267	S	S	.	.	H	α-helix	trans	-67.2	-36.3	175.6	-58.3	-178.1	0	0	0	111.1	E708 L709 Q710 T718 L719 T723	L706-E708 VanDerWaalsContact C-N 3.31Å; L706-E708 PolarHBondContact O-N 3.05Å; L706-L709 HydrophobicContact CD2-CD1 4.28Å; L706-L709 PolarHBondContact O-N 2.92Å; L706-Q710 WeakPolarHBondContact O-CB 3.39Å; L706-Q710 VanDerWaalsContact O-CG 3.29Å; L706-Q710 WeakPolarHBondContact O-CG 3.45Å; L706-Q710 PolarHBondContact O-N 3.5Å; L706-T718 HydrophobicContact CB-CG2 3.8Å; L706-T718 HydrophobicContact CD2-CG2 3.84Å; L706-T718 HydrophobicContact CG-CG2 4.34Å; L706-L719 HydrophobicContact CD1-CD2 4.15Å; L706-T723 HydrophobicContact CD1-CG2 4.19Å; L706-T723 HydrophobicContact CD2-CG2 4.47Å
707	E	98.1	Very high	97.7	Very high	138 Å²	138	53.2 Å²	53.2	65%	0.645	26%	0.263	S	S	*	.	H	α-helix	trans	-58	-38.5	171.5	177.9	-176.3	-155.4	0	0	112.7	T705 Q710	T705-E707 VanDerWaalsContact C-N 3.3Å; E707-Q710 PolarHBondContact O-N 2.85Å
708	E	98.7	Very high	97.6	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.019	25%	0.251	C	S	.	.	H	α-helix	trans	-67.5	-40.8	175.3	-75.1	172.2	153.2	0	0	112.1	R702 A704 T705 L706 Q710 T711 I813 L817 R821	R702-E708 IonicContact CZ-OE1 2.71Å; R702-E708 IonicContact CZ-OE2 3.9Å; R702-E708 IonicContact NH1-OE1 3.12Å; R702-E708 PolarHBondContact NH1-OE1 3.27Å; R702-E708 IonicContact NH1-OE2 3.88Å; R702-E708 PolarHBondContact NH1-OE2 2.75Å; R702-E708 IonicContact NH2-OE1 3.16Å; R702-E708 PolarHBondContact NH2-OE1 3.11Å; R702-E708 IonicContact NH2-OE2 2.69Å; R702-E708 PolarHBondContact NH2-OE2 3.06Å; A704-E708 WeakPolarHBondContact CA-OE2 3.17Å; A704-E708 HydrophobicContact CB-CB 4.32Å; T705-E708 PolarHBondContact N-OE2 2.87Å; T705-E708 PolarHBondContact O-N 3.37Å; T705-E708 VanDerWaalsContact OG1-CG 3.3Å; T705-E708 WeakPolarHBondContact OG1-CG 3.49Å; T705-E708 PolarHBondContact OG1-N 3.11Å; L706-E708 VanDerWaalsContact C-N 3.31Å; L706-E708 PolarHBondContact O-N 3.05Å; E708-Q710 VanDerWaalsContact C-N 3.31Å; E708-Q710 PolarHBondContact O-N 3.3Å; E708-T711 WeakPolarHBondContact O-CB 3.35Å; E708-T711 WeakPolarHBondContact O-CG2 3.28Å; E708-T711 PolarHBondContact O-N 3.32Å; E708-T711 PolarHBondContact O-OG1 2.65Å; E708-I813 VanDerWaalsContact O-CG2 3.31Å; E708-I813 WeakPolarHBondContact O-CG2 3.27Å; E708-L817 HydrophobicContact CB-CD1 4.04Å; E708-L817 HydrophobicContact CG-CD1 3.78Å; E708-L817 HydrophobicContact CG-CD2 4.07Å; E708-R821 VanDerWaalsContact CG-NH2 3.29Å; E708-R821 IonicContact OE1-CZ 3.62Å; E708-R821 IonicContact OE1-NH1 2.68Å; E708-R821 PolarHBondContact OE1-NH1 2.93Å; E708-R821 IonicContact OE1-NH2 2.72Å; E708-R821 PolarHBondContact OE1-NH2 2.83Å
709	L	98.7	Very high	97.4	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.6	-37	173.7	-59.7	177.8	0	0	0	111.9	A704 T705 L706 T711 V712 H713 T718 R765 V768 F808 I813	A704-L709 HydrophobicContact CB-CD2 4.04Å; A704-L709 HydrophobicContact CB-CG 4.41Å; T705-L709 WeakPolarHBondContact O-CG 3.44Å; T705-L709 PolarHBondContact O-N 2.84Å; L706-L709 HydrophobicContact CD2-CD1 4.28Å; L706-L709 PolarHBondContact O-N 2.92Å; L709-T711 PolarHBondContact O-N 2.84Å; L709-T711 VanDerWaalsContact O-N 3.09Å; L709-V712 PolarHBondContact O-N 3.46Å; L709-H713 PolarHBondContact O-N 3.41Å; L709-T718 HydrophobicContact CB-CG2 3.85Å; L709-T718 HydrophobicContact CD1-CG2 3.9Å; L709-R765 HydrophobicContact CD1-CG 3.82Å; L709-V768 HydrophobicContact CD2-CB 4.33Å; L709-V768 HydrophobicContact CD2-CG1 4.16Å; L709-V768 HydrophobicContact CD2-CG2 4Å; L709-F808 HydrophobicContact CB-CD1 4.45Å; L709-F808 HydrophobicContact CB-CE1 4.35Å; L709-F808 HydrophobicContact CD1-CD1 4.18Å; L709-F808 HydrophobicContact CD1-CD2 4.23Å; L709-F808 HydrophobicContact CD1-CE1 3.7Å; L709-F808 HydrophobicContact CD1-CE2 3.77Å; L709-F808 HydrophobicContact CD1-CG 4.43Å; L709-F808 HydrophobicContact CD1-CZ 3.47Å; L709-F808 VanDerWaalsContact CD1-CZ 3.47Å; L709-F808 HydrophobicContact CD2-CB 4.09Å; L709-F808 HydrophobicContact CD2-CD1 3.89Å; L709-F808 HydrophobicContact CD2-CD2 3.99Å; L709-F808 HydrophobicContact CD2-CE1 4.28Å; L709-F808 HydrophobicContact CD2-CE2 4.39Å; L709-F808 HydrophobicContact CD2-CG 3.73Å; L709-F808 HydrophobicContact CG-CD1 4.39Å; L709-F808 HydrophobicContact CG-CE1 4.33Å; L709-F808 HydrophobicContact CG-CZ 4.49Å; L709-I813 HydrophobicContact CD2-CD1 3.84Å
710	Q	98.5	Very high	97.1	Very high	75 Å²	75	49.7 Å²	49.7	35%	0.35	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-2.8	177.8	-76.3	165.3	-15	0	0	114.4	L706 E707 E708 V712 H713 T718	L706-Q710 WeakPolarHBondContact O-CB 3.39Å; L706-Q710 VanDerWaalsContact O-CG 3.29Å; L706-Q710 WeakPolarHBondContact O-CG 3.45Å; L706-Q710 PolarHBondContact O-N 3.5Å; E707-Q710 PolarHBondContact O-N 2.85Å; E708-Q710 VanDerWaalsContact C-N 3.31Å; E708-Q710 PolarHBondContact O-N 3.3Å; Q710-V712 VanDerWaalsContact C-N 3.3Å; Q710-H713 WeakPolarHBondContact CA-O 3.3Å; Q710-T718 HydrophobicContact CG-CG2 4.05Å
711	T	98.6	Very high	96.9	Very high	23 Å²	23	39.5 Å²	39.5	14%	0.141	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-17.1	171	64.8	0	0	0	0	113.9	E708 L709 L817	E708-T711 WeakPolarHBondContact O-CB 3.35Å; E708-T711 WeakPolarHBondContact O-CG2 3.28Å; E708-T711 PolarHBondContact O-N 3.32Å; E708-T711 PolarHBondContact O-OG1 2.65Å; L709-T711 PolarHBondContact O-N 2.84Å; L709-T711 VanDerWaalsContact O-N 3.09Å; T711-L817 HydrophobicContact CG2-CD2 3.8Å; T711-L817 HydrophobicContact CG2-CG 4.35Å
712	V	98.7	Very high	96.7	Very high	18 Å²	18	39 Å²	39	11%	0.109	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-32.1	178.7	175.3	0	0	0	0	112.4	L709 Q710 N809 A812 I813 K816 A843	L709-V712 PolarHBondContact O-N 3.46Å; Q710-V712 VanDerWaalsContact C-N 3.3Å; V712-N809 HydrophobicContact CG1-CB 4.4Å; V712-A812 HydrophobicContact CG1-CB 4.27Å; V712-A812 HydrophobicContact CG2-CB 3.86Å; V712-I813 HydrophobicContact CB-CG1 3.87Å; V712-I813 HydrophobicContact CG2-CB 4.42Å; V712-I813 HydrophobicContact CG2-CG1 3.69Å; V712-K816 HydrophobicContact CG2-CG 3.76Å; V712-A843 HydrophobicContact CG1-CB 4.09Å
713	H	98.6	Very high	96.3	Very high	5 Å²	5	36.7 Å²	36.7	2%	0.023	19%	0.193	C	C	.	.	S	Bend	trans	-112.4	152.7	-174.2	-54.6	-80.8	0	0	0	113	L709 Q710 H717 E798 E799 F808 N809	L709-H713 PolarHBondContact O-N 3.41Å; Q710-H713 WeakPolarHBondContact CA-O 3.3Å; H713-H717 HydrophobicContact CB-CB 4.47Å; H713-H717 AromaticContact CG-CD2 3.72Å; H713-H717 AromaticContact ND1-CD2 3.76Å; H713-H717 AromaticContact ND1-NE2 3.71Å; H713-E798 PolarHBondContact CE1-O 2.94Å; H713-E798 PolarHBondContact ND1-O 3.23Å; H713-E799 CarbonylContact C-O 3.38Å; H713-E799 WeakPolarHBondContact CA-O 3.39Å; H713-E799 VanDerWaalsContact CB-O 3.32Å; H713-E799 WeakPolarHBondContact CB-O 3.22Å; H713-F808 AromaticContact CD2-CD1 3.68Å; H713-F808 WeakPolarHBondContact NE2-CA 3.44Å; H713-F808 AromaticContact NE2-CD1 3.99Å; H713-N809 PolarHBondContact NE2-N 3.47Å
714	S	97.8	Very high	95.2	Very high	24 Å²	24	34.2 Å²	34.2	17%	0.168	18%	0.184	C	C	.	.			trans	-62.3	157.7	177.2	70.5	0	0	0	0	112.3	A716 H717 T718 E799 S800	S714-A716 VanDerWaalsContact C-N 3.26Å; S714-A716 PolarHBondContact O-N 3.12Å; S714-H717 PolarHBondContact O-N 3Å; S714-H717 WeakPolarHBondContact OG-CB 3.3Å; S714-H717 PolarHBondContact OG-N 3.11Å; S714-T718 VanDerWaalsContact O-CB 3.27Å; S714-T718 WeakPolarHBondContact O-CB 3.38Å; S714-T718 PolarHBondContact O-N 2.93Å; S714-T718 PolarHBondContact O-OG1 3.46Å; S714-E799 PolarHBondContact N-O 3.3Å; S714-S800 WeakPolarHBondContact CB-OG 3.4Å; S714-S800 PolarHBondContact OG-OG 2.89Å
715	E	95.5	Very high	93.7	Very high	124 Å²	124	36.3 Å²	36.3	58%	0.579	20%	0.198	S	C	*	.	H	α-helix	trans	-59.5	-38.4	174.8	174.5	165	-135.9	0	0	111.8	T718 L719	E715-T718 PolarHBondContact O-N 3.18Å; E715-L719 HydrophobicContact CG-CD1 3.65Å; E715-L719 HydrophobicContact CG-CG 4.11Å; E715-L719 WeakPolarHBondContact O-CB 3.2Å; E715-L719 VanDerWaalsContact O-CG 3.28Å; E715-L719 WeakPolarHBondContact O-CG 3.42Å; E715-L719 PolarHBondContact O-N 2.71Å
716	A	93.3	Very high	92	Very high	55 Å²	55	40.1 Å²	40.1	46%	0.455	22%	0.216	S	C	.	.	H	α-helix	trans	-63	-48.1	178.2	0	0	0	0	0	112	S714 L719 L720	S714-A716 VanDerWaalsContact C-N 3.26Å; S714-A716 PolarHBondContact O-N 3.12Å; A716-L719 PolarHBondContact O-N 3.26Å; A716-L720 VanDerWaalsContact O-CB 3.27Å; A716-L720 WeakPolarHBondContact O-CB 3.29Å; A716-L720 PolarHBondContact O-N 3.12Å
717	H	95	Very high	90.1	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.028	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-44.7	175.5	-177.3	92.5	0	0	0	111.5	H713 S714 L719 L720 Y721 Y807 F808	H713-H717 HydrophobicContact CB-CB 4.47Å; H713-H717 AromaticContact CG-CD2 3.72Å; H713-H717 AromaticContact ND1-CD2 3.76Å; H713-H717 AromaticContact ND1-NE2 3.71Å; S714-H717 PolarHBondContact O-N 3Å; S714-H717 WeakPolarHBondContact OG-CB 3.3Å; S714-H717 PolarHBondContact OG-N 3.11Å; H717-L719 PolarHBondContact O-N 2.83Å; H717-L720 PolarHBondContact O-N 3.01Å; H717-Y721 AromaticContact CE1-CD2 3.52Å; H717-Y721 AromaticContact CE1-CE2 3.64Å; H717-Y721 AromaticContact CG-CD2 3.84Å; H717-Y721 AromaticContact ND1-CD2 3.48Å; H717-Y721 WeakPolarHBondContact ND1-CD2 3.39Å; H717-Y721 AromaticContact ND1-CE2 3.37Å; H717-Y721 WeakPolarHBondContact ND1-CE2 3.35Å; H717-Y721 AromaticContact NE2-CD2 3.84Å; H717-Y721 WeakPolarHBondContact O-CD2 3.26Å; H717-Y721 PolarHBondContact O-N 3.39Å; H717-Y807 PolarHBondContact NE2-O 3.47Å; H717-F808 AromaticContact CD2-CD1 3.98Å; H717-F808 AromaticContact CD2-CE1 3.61Å; H717-F808 AromaticContact NE2-CD1 3.92Å; H717-F808 AromaticContact NE2-CE1 3.87Å
718	T	96.2	Very high	88.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-42.2	176.8	-67.5	0	0	0	0	112.8	L706 L709 Q710 S714 E715 G722	L706-T718 HydrophobicContact CB-CG2 3.8Å; L706-T718 HydrophobicContact CD2-CG2 3.84Å; L706-T718 HydrophobicContact CG-CG2 4.34Å; L709-T718 HydrophobicContact CB-CG2 3.85Å; L709-T718 HydrophobicContact CD1-CG2 3.9Å; Q710-T718 HydrophobicContact CG-CG2 4.05Å; S714-T718 VanDerWaalsContact O-CB 3.27Å; S714-T718 WeakPolarHBondContact O-CB 3.38Å; S714-T718 PolarHBondContact O-N 2.93Å; S714-T718 PolarHBondContact O-OG1 3.46Å; E715-T718 PolarHBondContact O-N 3.18Å; T718-G722 WeakPolarHBondContact O-CA 3.4Å; T718-G722 PolarHBondContact O-N 3.46Å
719	L	93.1	Very high	86.1	Confident	46 Å²	46	48 Å²	48	24%	0.241	25%	0.254	C	S	.	.	H	α-helix	trans	-71.5	-38.5	176.9	-72.3	172	0	0	0	111.6	L706 E715 A716 H717 T723 L731	L706-L719 HydrophobicContact CD1-CD2 4.15Å; E715-L719 HydrophobicContact CG-CD1 3.65Å; E715-L719 HydrophobicContact CG-CG 4.11Å; E715-L719 WeakPolarHBondContact O-CB 3.2Å; E715-L719 VanDerWaalsContact O-CG 3.28Å; E715-L719 WeakPolarHBondContact O-CG 3.42Å; E715-L719 PolarHBondContact O-N 2.71Å; A716-L719 PolarHBondContact O-N 3.26Å; H717-L719 PolarHBondContact O-N 2.83Å; L719-T723 HydrophobicContact CD2-CG2 4.18Å; L719-T723 WeakPolarHBondContact O-CB 3.44Å; L719-T723 PolarHBondContact O-N 3.13Å; L719-T723 PolarHBondContact O-OG1 3.45Å; L719-L731 HydrophobicContact CB-CD1 4.06Å; L719-L731 HydrophobicContact CB-CD2 4.36Å; L719-L731 HydrophobicContact CD1-CD1 4.11Å
720	L	91.5	Very high	83.9	Confident	9 Å²	9	54.6 Å²	54.6	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-64.1	-60.6	178.8	-170.3	59.6	0	0	0	111	A716 H717 R728 L735 V738 F739	A716-L720 VanDerWaalsContact O-CB 3.27Å; A716-L720 WeakPolarHBondContact O-CB 3.29Å; A716-L720 PolarHBondContact O-N 3.12Å; H717-L720 PolarHBondContact O-N 3.01Å; L720-R728 VanDerWaalsContact O-CZ 3.24Å; L720-R728 PolarHBondContact O-NE 2.92Å; L720-R728 PolarHBondContact O-NH2 3.36Å; L720-L735 HydrophobicContact CD1-CB 4.35Å; L720-V738 HydrophobicContact CD2-CB 4.35Å; L720-V738 HydrophobicContact CD2-CG2 4.15Å; L720-F739 HydrophobicContact CD1-CE2 3.91Å; L720-F739 HydrophobicContact CD1-CZ 4.41Å; L720-F739 HydrophobicContact CG-CE2 4.29Å; L720-F739 HydrophobicContact CG-CZ 4.36Å
721	Y	94.6	Very high	81.8	Confident	6 Å²	6	53.1 Å²	53.1	2%	0.024	28%	0.277	C	S	.	.	H	α-helix	trans	-88.1	-19.6	-174.7	-54.3	-66.9	0	0	0	113.5	H717 V738 F739 V749 W755 S761 P802 Y807	H717-Y721 AromaticContact CE1-CD2 3.52Å; H717-Y721 AromaticContact CE1-CE2 3.64Å; H717-Y721 AromaticContact CG-CD2 3.84Å; H717-Y721 AromaticContact ND1-CD2 3.48Å; H717-Y721 WeakPolarHBondContact ND1-CD2 3.39Å; H717-Y721 AromaticContact ND1-CE2 3.37Å; H717-Y721 WeakPolarHBondContact ND1-CE2 3.35Å; H717-Y721 AromaticContact NE2-CD2 3.84Å; H717-Y721 WeakPolarHBondContact O-CD2 3.26Å; H717-Y721 PolarHBondContact O-N 3.39Å; Y721-V738 VanDerWaalsContact OH-CG1 3.26Å; Y721-V738 WeakPolarHBondContact OH-CG1 3.41Å; Y721-F739 HydrophobicContact CD1-CE1 4.32Å; Y721-F739 HydrophobicContact CD1-CZ 4.01Å; Y721-F739 AromaticContact CE1-CE1 3.78Å; Y721-F739 HydrophobicContact CE1-CE1 3.78Å; Y721-F739 AromaticContact CE1-CZ 3.55Å; Y721-F739 HydrophobicContact CE1-CZ 3.55Å; Y721-V749 HydrophobicContact CE1-CG1 3.78Å; Y721-W755 HydrophobicContact CD1-CE3 4.21Å; Y721-W755 HydrophobicContact CD1-CH2 4.03Å; Y721-W755 AromaticContact CD1-CZ3 3.74Å; Y721-W755 HydrophobicContact CD1-CZ3 3.74Å; Y721-W755 HydrophobicContact CG-CZ3 4.48Å; Y721-S761 VanDerWaalsContact O-CA 3.27Å; Y721-S761 WeakPolarHBondContact O-CA 3.3Å; Y721-S761 WeakPolarHBondContact O-CB 3.49Å; Y721-S761 PolarHBondContact O-OG 3.19Å; Y721-P802 HydrophobicContact CE1-CG 4.27Å; Y721-P802 HydrophobicContact CE2-CG 3.78Å; Y721-Y807 AromaticContact CD1-CD1 3.71Å; Y721-Y807 HydrophobicContact CD1-CD1 3.71Å; Y721-Y807 AromaticContact CD1-CE1 3.72Å; Y721-Y807 HydrophobicContact CD1-CE1 3.72Å; Y721-Y807 HydrophobicContact CE1-CD1 4.24Å; Y721-Y807 AromaticContact CE1-CE1 3.92Å; Y721-Y807 HydrophobicContact CE1-CE1 3.92Å; Y721-Y807 AromaticContact CG-CD1 3.91Å; Y721-Y807 HydrophobicContact CG-CD1 3.91Å; Y721-Y807 HydrophobicContact CG-CE1 4.38Å
722	G	93.8	Very high	79.6	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-92.9	-3.9	-178.2	0	0	0	0	0	115.3	T718 S761 R765	T718-G722 WeakPolarHBondContact O-CA 3.4Å; T718-G722 PolarHBondContact O-N 3.46Å; G722-S761 PolarHBondContact O-OG 3.02Å; G722-R765 WeakPolarHBondContact O-CD 3.27Å; G722-R765 PolarHBondContact O-NH1 3.44Å
723	T	89.8	Confident	77.2	Confident	22 Å²	22	60.2 Å²	60.2	14%	0.135	32%	0.319	C	S	.	.	S	Bend	trans	-122	147.4	175	75.7	0	0	0	0	113	L706 L719 S761	L706-T723 HydrophobicContact CD1-CG2 4.19Å; L706-T723 HydrophobicContact CD2-CG2 4.47Å; L719-T723 HydrophobicContact CD2-CG2 4.18Å; L719-T723 WeakPolarHBondContact O-CB 3.44Å; L719-T723 PolarHBondContact O-N 3.13Å; L719-T723 PolarHBondContact O-OG1 3.45Å; T723-S761 PolarHBondContact N-OG 3.5Å; T723-S761 PolarHBondContact O-OG 3.45Å
724	N	75.8	Confident	74.9	Confident	60 Å²	60	62.6 Å²	62.6	32%	0.321	34%	0.336	S	S	.	.			trans	-65.1	136.3	173	-180	-51.6	0	0	0	109.5	L726 N727	N724-L726 PolarHBondContact O-N 2.98Å; N724-L726 WeakPolarHBondContact OD1-CB 3.32Å; N724-L726 VanDerWaalsContact OD1-CG 3.3Å; N724-L726 WeakPolarHBondContact OD1-CG 3.19Å; N724-L726 PolarHBondContact OD1-N 2.95Å; N724-N727 PolarHBondContact O-N 3.29Å
725	P	66.9	Low	72.7	Confident	44 Å²	44	64.1 Å²	64.1	29%	0.286	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-45.6	-34.1	176.8	-31.7	36.6	0	0	0	115.7	N727 R728 E757	P725-N727 PolarHBondContact O-N 2.87Å; P725-R728 WeakPolarHBondContact O-CB 3.39Å; P725-R728 PolarHBondContact O-N 2.97Å; P725-E757 VanDerWaalsContact CD-O 3.26Å; P725-E757 WeakPolarHBondContact CD-O 3.44Å
726	L	60.8	Low	70.7	Confident	135 Å²	135	62.4 Å²	62.4	71%	0.707	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-58.3	-32	177.4	-64.2	173.8	0	0	0	113.1	N724	N724-L726 PolarHBondContact O-N 2.98Å; N724-L726 WeakPolarHBondContact OD1-CB 3.32Å; N724-L726 VanDerWaalsContact OD1-CG 3.3Å; N724-L726 WeakPolarHBondContact OD1-CG 3.19Å; N724-L726 PolarHBondContact OD1-N 2.95Å
727	N	58.9	Low	69.3	Low	126 Å²	126	63 Å²	63	67%	0.674	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-86.4	-9.2	178.4	-69.6	2.5	0	0	0	113.1	N724 P725 Q729	N724-N727 PolarHBondContact O-N 3.29Å; P725-N727 PolarHBondContact O-N 2.87Å; N727-Q729 PolarHBondContact O-N 3.13Å; N727-Q729 VanDerWaalsContact O-N 3.15Å
728	R	59.7	Low	68.7	Low	43 Å²	43	65.2 Å²	65.2	16%	0.162	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-76.4	7.9	-176.4	-61.8	-174.4	-166.1	159	0.3	114.2	L720 P725 K730 L731	L720-R728 VanDerWaalsContact O-CZ 3.24Å; L720-R728 PolarHBondContact O-NE 2.92Å; L720-R728 PolarHBondContact O-NH2 3.36Å; P725-R728 WeakPolarHBondContact O-CB 3.39Å; P725-R728 PolarHBondContact O-N 2.97Å; R728-K730 PolarHBondContact O-N 2.95Å; R728-L731 HydrophobicContact CB-CB 4.39Å; R728-L731 HydrophobicContact CG-CD2 4.49Å; R728-L731 PolarHBondContact O-N 3.33Å
729	Q	51.9	Low	68.2	Low	188 Å²	188	67.2 Å²	67.2	88%	0.879	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-61.9	-4.8	176.1	-67.2	-173.4	-13.5	0	0	114.9	N727	N727-Q729 PolarHBondContact O-N 3.13Å; N727-Q729 VanDerWaalsContact O-N 3.15Å
730	K	51.9	Low	68	Low	138 Å²	138	68.1 Å²	68.1	60%	0.6	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-104.3	-10.7	170	-66.1	-176.4	-172.3	173.7	0	114.6	R728	R728-K730 PolarHBondContact O-N 2.95Å
731	L	54.9	Low	67.8	Low	44 Å²	44	76.5 Å²	76.5	23%	0.23	40%	0.402	C	S	.	.	S	Bend	trans	-78.1	143.4	174.6	-109.1	62.1	0	0	0	108.7	L719 R728 L735	L719-L731 HydrophobicContact CB-CD1 4.06Å; L719-L731 HydrophobicContact CB-CD2 4.36Å; L719-L731 HydrophobicContact CD1-CD1 4.11Å; R728-L731 HydrophobicContact CB-CB 4.39Å; R728-L731 HydrophobicContact CG-CD2 4.49Å; R728-L731 PolarHBondContact O-N 3.33Å; L731-L735 HydrophobicContact CB-CD1 4.36Å; L731-L735 HydrophobicContact CD2-CD1 3.64Å; L731-L735 HydrophobicContact CG-CD1 3.79Å
732	D	52.4	Low	67.6	Low	112 Å²	112	76.7 Å²	76.7	60%	0.599	40%	0.403	S	S	*	.			trans	-61.9	144.7	177.1	-179.8	36.2	0	0	0	111.1	S734 L735	D732-S734 PolarHBondContact O-N 3.09Å; D732-S734 VanDerWaalsContact O-N 3.13Å; D732-S734 VanDerWaalsContact OD2-CB 3.31Å; D732-S734 WeakPolarHBondContact OD2-CB 3.35Å; D732-S734 PolarHBondContact OD2-OG 2.94Å; D732-L735 PolarHBondContact O-N 3.2Å
733	S	49	Very low	67.4	Low	78 Å²	78	82.9 Å²	82.9	55%	0.545	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-64.8	-20.5	-172.1	-65.3	0	0	0	0	112.9	L735 T736	S733-L735 VanDerWaalsContact C-N 3.26Å; S733-L735 PolarHBondContact O-N 3.29Å; S733-T736 PolarHBondContact O-N 2.76Å; S733-T736 PolarHBondContact O-OG1 3.43Å
734	S	49.9	Very low	67.4	Low	55 Å²	55	83.9 Å²	83.9	39%	0.385	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-51.3	-40.4	172.6	53.3	0	0	0	0	113.5	D732 T736 S737	D732-S734 PolarHBondContact O-N 3.09Å; D732-S734 VanDerWaalsContact O-N 3.13Å; D732-S734 VanDerWaalsContact OD2-CB 3.31Å; D732-S734 WeakPolarHBondContact OD2-CB 3.35Å; D732-S734 PolarHBondContact OD2-OG 2.94Å; S734-T736 PolarHBondContact O-N 2.85Å; S734-S737 PolarHBondContact O-N 3.4Å; S734-S737 PolarHBondContact O-OG 2.96Å; S734-S737 VanDerWaalsContact O-OG 3.05Å
735	L	52.4	Low	68	Low	56 Å²	56	82.9 Å²	82.9	29%	0.293	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-71.4	3.8	-176.4	-64.6	172	0	0	0	114.5	L720 L731 D732 S733 S737	L720-L735 HydrophobicContact CD1-CB 4.35Å; L731-L735 HydrophobicContact CB-CD1 4.36Å; L731-L735 HydrophobicContact CD2-CD1 3.64Å; L731-L735 HydrophobicContact CG-CD1 3.79Å; D732-L735 PolarHBondContact O-N 3.2Å; S733-L735 VanDerWaalsContact C-N 3.26Å; S733-L735 PolarHBondContact O-N 3.29Å; L735-S737 VanDerWaalsContact C-N 3.32Å
736	T	52.8	Low	69	Low	88 Å²	88	80.8 Å²	80.8	54%	0.54	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-78.4	-14	171.8	56.9	0	0	0	0	113.6	S733 S734	S733-T736 PolarHBondContact O-N 2.76Å; S733-T736 PolarHBondContact O-OG1 3.43Å; S734-T736 PolarHBondContact O-N 2.85Å
737	S	64.2	Low	70.4	Confident	67 Å²	67	75.1 Å²	75.1	47%	0.469	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-19.2	-178.7	56.5	0	0	0	0	115.4	S734 L735 F739	S734-S737 PolarHBondContact O-N 3.4Å; S734-S737 PolarHBondContact O-OG 2.96Å; S734-S737 VanDerWaalsContact O-OG 3.05Å; L735-S737 VanDerWaalsContact C-N 3.32Å; S737-F739 PolarHBondContact O-N 3.27Å
738	V	81.4	Confident	71.9	Confident	52 Å²	52	69.1 Å²	69.1	32%	0.315	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-12.8	-170.5	-160.9	0	0	0	0	113	L720 Y721	L720-V738 HydrophobicContact CD2-CB 4.35Å; L720-V738 HydrophobicContact CD2-CG2 4.15Å; Y721-V738 VanDerWaalsContact OH-CG1 3.26Å; Y721-V738 WeakPolarHBondContact OH-CG1 3.41Å
739	F	86.4	Confident	73.3	Confident	42 Å²	42	68.2 Å²	68.2	18%	0.184	38%	0.379	C	S	.	.			trans	-101.9	115.6	-179.5	-65.2	-74.1	0	0	0	111.7	L720 Y721 S737 V747 G748 V749 W755	L720-F739 HydrophobicContact CD1-CE2 3.91Å; L720-F739 HydrophobicContact CD1-CZ 4.41Å; L720-F739 HydrophobicContact CG-CE2 4.29Å; L720-F739 HydrophobicContact CG-CZ 4.36Å; Y721-F739 HydrophobicContact CD1-CE1 4.32Å; Y721-F739 HydrophobicContact CD1-CZ 4.01Å; Y721-F739 AromaticContact CE1-CE1 3.78Å; Y721-F739 HydrophobicContact CE1-CE1 3.78Å; Y721-F739 AromaticContact CE1-CZ 3.55Å; Y721-F739 HydrophobicContact CE1-CZ 3.55Å; S737-F739 PolarHBondContact O-N 3.27Å; F739-V747 HydrophobicContact CB-CG1 3.85Å; F739-V747 HydrophobicContact CD1-CG1 4.36Å; F739-V747 HydrophobicContact CG-CG1 4.49Å; F739-G748 CarbonylContact C-O 3.55Å; F739-G748 WeakPolarHBondContact CA-O 3.48Å; F739-V749 HydrophobicContact CD1-CG1 4.06Å; F739-V749 HydrophobicContact CE1-CG1 3.9Å; F739-W755 HydrophobicContact CD1-CB 3.87Å; F739-W755 AromaticContact CD1-CD1 3.65Å; F739-W755 HydrophobicContact CD1-CD2 4.29Å; F739-W755 AromaticContact CD1-CG 3.66Å; F739-W755 HydrophobicContact CD1-CG 3.66Å; F739-W755 HydrophobicContact CE1-CB 3.9Å; F739-W755 AromaticContact CE1-CD1 3.5Å; F739-W755 VanDerWaalsContact CE1-CD1 3.5Å; F739-W755 AromaticContact CE1-CD2 3.48Å; F739-W755 HydrophobicContact CE1-CD2 3.48Å; F739-W755 VanDerWaalsContact CE1-CD2 3.48Å; F739-W755 AromaticContact CE1-CE2 3.75Å; F739-W755 HydrophobicContact CE1-CE3 4.12Å; F739-W755 AromaticContact CE1-CG 3.34Å; F739-W755 HydrophobicContact CE1-CG 3.34Å; F739-W755 AromaticContact CE1-NE1 3.71Å; F739-W755 HydrophobicContact CZ-CD2 4.14Å; F739-W755 AromaticContact CZ-CE2 3.97Å; F739-W755 HydrophobicContact CZ-CG 4.31Å; F739-W755 HydrophobicContact CZ-CZ2 4.44Å; F739-W755 AromaticContact CZ-NE1 3.99Å
740	V	88	Confident	75.1	Confident	66 Å²	66	61.3 Å²	61.3	40%	0.4	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	149.2	-179.1	-66	0	0	0	0	112.2	L742 V747 G748	V740-L742 HydrophobicContact CG2-CD2 4.1Å; V740-V747 WeakPolarHBondContact O-CA 3.39Å; V740-G748 PolarHBondContact N-O 3.4Å; V740-G748 PolarHBondContact O-N 2.77Å
741	R	88.5	Confident	76.7	Confident	184 Å²	184	59 Å²	59	69%	0.694	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	118.9	173.1	178.1	63.8	108.9	-159.6	-5.5	109.6	G745 G746	R741-G745 WeakPolarHBondContact CD-O 3.27Å; R741-G745 PolarHBondContact NH1-O 2.82Å; R741-G746 WeakPolarHBondContact CD-O 3.3Å
742	L	89.8	Confident	78.2	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.052	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-78.6	154.5	-174.6	-56.5	-176.4	0	0	0	112.5	V740 C744 G745 G746 V747 D750 I754	V740-L742 HydrophobicContact CG2-CD2 4.1Å; L742-C744 PolarHBondContact O-N 3.38Å; L742-C744 VanDerWaalsContact O-N 3.12Å; L742-G745 PolarHBondContact O-N 3.31Å; L742-G746 PolarHBondContact N-O 2.93Å; L742-V747 WeakPolarHBondContact CD1-O 3.45Å; L742-D750 WeakPolarHBondContact CD2-O 3.31Å; L742-I754 HydrophobicContact CD1-CB 4.43Å; L742-I754 HydrophobicContact CD1-CG2 3.78Å
743	P	89.1	Confident	79.9	Confident	131 Å²	131	53.5 Å²	53.5	85%	0.851	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.1	175.4	-26.5	35.6	0	0	0	114.5	G745	P743-G745 PolarHBondContact O-N 3.38Å
744	C	90.9	Very high	82	Confident	42 Å²	42	50.2 Å²	50.2	28%	0.284	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-1.8	174.6	64.9	0	0	0	0	114.2	C667 H673 L742 G746	C667-C744 HydrophobicContact CB-CB 3.9Å; C667-C744 WeakPolarHBondContact CB-O 3.42Å; H673-C744 PolarHBondContact NE2-SG 3.17Å; L742-C744 PolarHBondContact O-N 3.38Å; L742-C744 VanDerWaalsContact O-N 3.12Å; C744-G746 VanDerWaalsContact C-N 3.32Å
745	G	87.5	Confident	84	Confident	39 Å²	39	47.8 Å²	47.8	40%	0.402	28%	0.279	S	S	.	.	S	Bend	trans	87.8	-8.2	-174	0	0	0	0	0	114.6	R741 L742 P743	R741-G745 WeakPolarHBondContact CD-O 3.27Å; R741-G745 PolarHBondContact NH1-O 2.82Å; L742-G745 PolarHBondContact O-N 3.31Å; P743-G745 PolarHBondContact O-N 3.38Å
746	G	88.7	Confident	85.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.269	C	S	.	.			trans	-70.3	-171.3	173.7	0	0	0	0	0	114.2	R741 L742 C744	R741-G746 WeakPolarHBondContact CD-O 3.3Å; L742-G746 PolarHBondContact N-O 2.93Å; C744-G746 VanDerWaalsContact C-N 3.32Å
747	V	90.5	Very high	87.5	Confident	16 Å²	16	47 Å²	47	10%	0.097	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	150.6	169.1	-177.6	0	0	0	0	107.4	F739 V740 L742 W755	F739-V747 HydrophobicContact CB-CG1 3.85Å; F739-V747 HydrophobicContact CD1-CG1 4.36Å; F739-V747 HydrophobicContact CG-CG1 4.49Å; V740-V747 WeakPolarHBondContact O-CA 3.39Å; L742-V747 WeakPolarHBondContact CD1-O 3.45Å; V747-W755 HydrophobicContact CG1-CB 4.35Å; V747-W755 PolarHBondContact O-N 3.23Å
748	G	90.5	Very high	88.6	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	-173.5	176.6	0	0	0	0	0	111	F739 V740 T753	F739-G748 CarbonylContact C-O 3.55Å; F739-G748 WeakPolarHBondContact CA-O 3.48Å; V740-G748 PolarHBondContact N-O 3.4Å; V740-G748 PolarHBondContact O-N 2.77Å; G748-T753 VanDerWaalsContact CA-O 3.32Å; G748-T753 WeakPolarHBondContact CA-O 3.34Å
749	V	89.5	Confident	89.2	Confident	24 Å²	24	49 Å²	49	15%	0.145	27%	0.273	C	S	.	.	S	Bend	trans	-102.6	-32.2	171.1	-66.5	0	0	0	0	111.6	Y721 F739 T753 P802 Y807	Y721-V749 HydrophobicContact CE1-CG1 3.78Å; F739-V749 HydrophobicContact CD1-CG1 4.06Å; F739-V749 HydrophobicContact CE1-CG1 3.9Å; V749-T753 HydrophobicContact CG2-CG2 3.57Å; V749-T753 PolarHBondContact N-O 2.71Å; V749-T753 VanDerWaalsContact N-O 3.12Å; V749-P802 HydrophobicContact CB-CG 4.27Å; V749-P802 HydrophobicContact CG1-CG 4.2Å; V749-P802 HydrophobicContact CG2-CB 4.27Å; V749-P802 HydrophobicContact CG2-CG 3.89Å; V749-Y807 HydrophobicContact CG1-CE1 4.2Å; V749-Y807 HydrophobicContact CG2-CE1 4.35Å
750	D	88.2	Confident	89.5	Confident	43 Å²	43	47 Å²	47	23%	0.23	26%	0.264	C	S	.	.	S	Bend	trans	-134	-153.7	174.9	56.1	34.2	0	0	0	109.3	L742 D752 T753	L742-D750 WeakPolarHBondContact CD2-O 3.31Å; D750-D752 VanDerWaalsContact OD1-CG 3.32Å; D750-D752 PolarHBondContact OD1-N 2.88Å; D750-T753 WeakPolarHBondContact OD1-CA 3.32Å; D750-T753 WeakPolarHBondContact OD1-CB 3.47Å; D750-T753 PolarHBondContact OD1-N 3.31Å; D750-T753 PolarHBondContact OD1-OG1 2.84Å; D750-T753 VanDerWaalsContact OD1-OG1 3.14Å; D750-T753 VanDerWaalsContact OD2-CB 3.26Å; D750-T753 WeakPolarHBondContact OD2-CB 3.32Å; D750-T753 PolarHBondContact OD2-OG1 2.72Å
751	S	85.3	Confident	89.9	Confident	89 Å²	89	44.1 Å²	44.1	62%	0.622	25%	0.247	S	C	*	.	S	Bend	trans	-72	-23.3	178.4	31.6	0	0	0	0	115.9
752	D	86.8	Confident	90.2	Very high	42 Å²	42	36.4 Å²	36.4	23%	0.225	23%	0.225	C	C	.	.	S	Bend	trans	-131.4	-39.8	-155.2	40.9	-77.4	0	0	0	111.8	D750 I754 G804 F805	D750-D752 VanDerWaalsContact OD1-CG 3.32Å; D750-D752 PolarHBondContact OD1-N 2.88Å; D752-I754 WeakPolarHBondContact O-CG2 3.37Å; D752-I754 PolarHBondContact O-N 3.49Å; D752-I754 VanDerWaalsContact O-N 3.09Å; D752-G804 PolarHBondContact OD2-N 3.47Å; D752-F805 HydrophobicContact CB-CD1 4.22Å; D752-F805 HydrophobicContact CB-CE1 3.75Å; D752-F805 HydrophobicContact CB-CZ 4.35Å; D752-F805 WeakPolarHBondContact O-CD1 3.38Å
753	T	89.4	Confident	90.6	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-77.8	84.2	177.5	-47.9	0	0	0	0	110.8	G748 V749 D750 P802 G804 F805 Y807	G748-T753 VanDerWaalsContact CA-O 3.32Å; G748-T753 WeakPolarHBondContact CA-O 3.34Å; V749-T753 HydrophobicContact CG2-CG2 3.57Å; V749-T753 PolarHBondContact N-O 2.71Å; V749-T753 VanDerWaalsContact N-O 3.12Å; D750-T753 WeakPolarHBondContact OD1-CA 3.32Å; D750-T753 WeakPolarHBondContact OD1-CB 3.47Å; D750-T753 PolarHBondContact OD1-N 3.31Å; D750-T753 PolarHBondContact OD1-OG1 2.84Å; D750-T753 VanDerWaalsContact OD1-OG1 3.14Å; D750-T753 VanDerWaalsContact OD2-CB 3.26Å; D750-T753 WeakPolarHBondContact OD2-CB 3.32Å; D750-T753 PolarHBondContact OD2-OG1 2.72Å; T753-P802 HydrophobicContact CG2-CB 4.5Å; T753-G804 PolarHBondContact OG1-N 2.97Å; T753-F805 WeakPolarHBondContact OG1-CA 3.4Å; T753-F805 PolarHBondContact OG1-N 3.03Å; T753-Y807 HydrophobicContact CG2-CD2 4.28Å; T753-Y807 HydrophobicContact CG2-CE1 4.01Å; T753-Y807 HydrophobicContact CG2-CE2 3.65Å; T753-Y807 VanDerWaalsContact CG2-CZ 3.48Å; T753-Y807 PolarHBondContact O-OH 3.42Å; T753-Y807 VanDerWaalsContact O-OH 3.12Å
754	I	92.1	Very high	91	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.041	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-72.8	141.6	-174.3	67	91.7	0	0	0	114.1	H663 C665 H673 L742 D752 Y807	H663-I754 PolarHBondContact CE1-O 2.79Å; H663-I754 VanDerWaalsContact CE1-O 3.3Å; C665-I754 HydrophobicContact CB-CB 4.13Å; C665-I754 HydrophobicContact CB-CD1 4.11Å; C665-I754 HydrophobicContact CB-CG1 4.16Å; C665-I754 HydrophobicContact CB-CG2 4.09Å; H673-I754 VanDerWaalsContact CE1-CG2 3.48Å; H673-I754 WeakPolarHBondContact CE1-CG2 3.31Å; H673-I754 WeakPolarHBondContact ND1-CG2 3.41Å; L742-I754 HydrophobicContact CD1-CB 4.43Å; L742-I754 HydrophobicContact CD1-CG2 3.78Å; D752-I754 WeakPolarHBondContact O-CG2 3.37Å; D752-I754 PolarHBondContact O-N 3.49Å; D752-I754 VanDerWaalsContact O-N 3.09Å; I754-Y807 VanDerWaalsContact C-OH 3.29Å; I754-Y807 PolarHBondContact O-OH 3.48Å
755	W	91.9	Very high	91.4	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.015	18%	0.18	C	C	.	.			trans	-114.7	115.7	175.8	-168.9	-106.6	0	0	0	111.9	Y721 F739 V747 Y807	Y721-W755 HydrophobicContact CD1-CE3 4.21Å; Y721-W755 HydrophobicContact CD1-CH2 4.03Å; Y721-W755 AromaticContact CD1-CZ3 3.74Å; Y721-W755 HydrophobicContact CD1-CZ3 3.74Å; Y721-W755 HydrophobicContact CG-CZ3 4.48Å; F739-W755 HydrophobicContact CD1-CB 3.87Å; F739-W755 AromaticContact CD1-CD1 3.65Å; F739-W755 HydrophobicContact CD1-CD2 4.29Å; F739-W755 AromaticContact CD1-CG 3.66Å; F739-W755 HydrophobicContact CD1-CG 3.66Å; F739-W755 HydrophobicContact CE1-CB 3.9Å; F739-W755 AromaticContact CE1-CD1 3.5Å; F739-W755 VanDerWaalsContact CE1-CD1 3.5Å; F739-W755 AromaticContact CE1-CD2 3.48Å; F739-W755 HydrophobicContact CE1-CD2 3.48Å; F739-W755 VanDerWaalsContact CE1-CD2 3.48Å; F739-W755 AromaticContact CE1-CE2 3.75Å; F739-W755 HydrophobicContact CE1-CE3 4.12Å; F739-W755 AromaticContact CE1-CG 3.34Å; F739-W755 HydrophobicContact CE1-CG 3.34Å; F739-W755 AromaticContact CE1-NE1 3.71Å; F739-W755 HydrophobicContact CZ-CD2 4.14Å; F739-W755 AromaticContact CZ-CE2 3.97Å; F739-W755 HydrophobicContact CZ-CG 4.31Å; F739-W755 HydrophobicContact CZ-CZ2 4.44Å; F739-W755 AromaticContact CZ-NE1 3.99Å; V747-W755 HydrophobicContact CG1-CB 4.35Å; V747-W755 PolarHBondContact O-N 3.23Å; W755-Y807 HydrophobicContact CE3-CD1 4.36Å; W755-Y807 AromaticContact CE3-CE1 3.65Å; W755-Y807 HydrophobicContact CE3-CE1 3.65Å; W755-Y807 HydrophobicContact CE3-CE2 4.16Å; W755-Y807 AromaticContact CE3-CZ 3.53Å; W755-Y807 HydrophobicContact CZ3-CD1 4.09Å; W755-Y807 AromaticContact CZ3-CE1 3.84Å; W755-Y807 HydrophobicContact CZ3-CE1 3.84Å; W755-Y807 HydrophobicContact CZ3-CE2 4.45Å
756	N	91.2	Very high	91.9	Very high	17 Å²	17	28.9 Å²	28.9	9%	0.091	16%	0.162	C	C	.	.			trans	-96	112.5	164.4	-175.8	-58.3	0	0	0	108.1	Q664 V758 H759 S760	Q664-N756 PolarHBondContact O-ND2 3.03Å; N756-V758 PolarHBondContact O-N 3.02Å; N756-V758 VanDerWaalsContact O-N 3.11Å; N756-V758 PolarHBondContact OD1-N 3.49Å; N756-H759 HydrophobicContact CB-CB 4.41Å; N756-H759 PolarHBondContact O-N 3.48Å; N756-H759 PolarHBondContact OD1-N 3.33Å; N756-S760 PolarHBondContact N-OG 3.11Å; N756-S760 WeakPolarHBondContact O-CB 3.37Å; N756-S760 PolarHBondContact O-N 3.14Å
757	E	87.1	Confident	92.4	Very high	111 Å²	111	28.9 Å²	28.9	52%	0.519	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.4	-173.3	-66	173	-159	0	0	114.2	P725	P725-E757 VanDerWaalsContact CD-O 3.26Å; P725-E757 WeakPolarHBondContact CD-O 3.44Å
758	V	87.9	Confident	92.8	Very high	95 Å²	95	28.1 Å²	28.1	58%	0.576	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-39.9	-179.4	-170.3	0	0	0	0	111.4	N756	N756-V758 PolarHBondContact O-N 3.02Å; N756-V758 VanDerWaalsContact O-N 3.11Å; N756-V758 PolarHBondContact OD1-N 3.49Å
759	H	93	Very high	93.2	Very high	65 Å²	65	28.1 Å²	28.1	30%	0.301	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-28.5	-162.4	-58.1	-45.4	0	0	0	116.2	K662 N756 S761 G762 A763	K662-H759 HydrophobicContact CB-CB 3.83Å; K662-H759 WeakPolarHBondContact O-CB 3.33Å; K662-H759 PolarHBondContact O-CD2 3.49Å; N756-H759 HydrophobicContact CB-CB 4.41Å; N756-H759 PolarHBondContact O-N 3.48Å; N756-H759 PolarHBondContact OD1-N 3.33Å; H759-S761 PolarHBondContact O-N 3.05Å; H759-G762 PolarHBondContact O-N 3.33Å; H759-G762 VanDerWaalsContact O-N 3.13Å; H759-A763 PolarHBondContact O-N 3.11Å
760	S	94.5	Very high	93.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.9	-46.8	-175.2	-77.7	0	0	0	0	112	H663 N756 G762 A763 A764	H663-S760 PolarHBondContact CE1-OG 2.8Å; H663-S760 PolarHBondContact ND1-OG 2.91Å; N756-S760 PolarHBondContact N-OG 3.11Å; N756-S760 WeakPolarHBondContact O-CB 3.37Å; N756-S760 PolarHBondContact O-N 3.14Å; S760-G762 VanDerWaalsContact C-N 3.3Å; S760-G762 PolarHBondContact O-N 3.25Å; S760-A763 PolarHBondContact O-N 3.32Å; S760-A764 WeakPolarHBondContact O-CB 3.44Å; S760-A764 PolarHBondContact O-N 2.95Å
761	S	95	Very high	94.1	Very high	6 Å²	6	25 Å²	25	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-39	178.3	-173.7	0	0	0	0	113.3	Y721 G722 T723 H759 R765	Y721-S761 VanDerWaalsContact O-CA 3.27Å; Y721-S761 WeakPolarHBondContact O-CA 3.3Å; Y721-S761 WeakPolarHBondContact O-CB 3.49Å; Y721-S761 PolarHBondContact O-OG 3.19Å; G722-S761 PolarHBondContact O-OG 3.02Å; T723-S761 PolarHBondContact N-OG 3.5Å; T723-S761 PolarHBondContact O-OG 3.45Å; H759-S761 PolarHBondContact O-N 3.05Å; S761-R765 WeakPolarHBondContact O-CB 3.25Å; S761-R765 PolarHBondContact O-N 3Å
762	G	95.7	Very high	94.8	Very high	23 Å²	23	20.9 Å²	20.9	24%	0.237	11%	0.111	C	C	.	.	H	α-helix	trans	-70.1	-40.3	178.1	0	0	0	0	0	113	H759 S760 L766	H759-G762 PolarHBondContact O-N 3.33Å; H759-G762 VanDerWaalsContact O-N 3.13Å; S760-G762 VanDerWaalsContact C-N 3.3Å; S760-G762 PolarHBondContact O-N 3.25Å; G762-L766 VanDerWaalsContact O-CB 3.26Å; G762-L766 WeakPolarHBondContact O-CB 3.33Å; G762-L766 PolarHBondContact O-N 3.05Å
763	A	97.7	Very high	95.3	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-74.4	-46.7	-179.9	0	0	0	0	0	112.8	H663 H759 S760 R765 L766 A767	H663-A763 HydrophobicContact CB-CB 3.51Å; H759-A763 PolarHBondContact O-N 3.11Å; S760-A763 PolarHBondContact O-N 3.32Å; A763-R765 VanDerWaalsContact C-N 3.32Å; A763-R765 PolarHBondContact O-N 2.91Å; A763-L766 CarbonylContact O-C 3.53Å; A763-L766 WeakPolarHBondContact O-CA 3.44Å; A763-L766 WeakPolarHBondContact O-CB 3.29Å; A763-L766 PolarHBondContact O-N 3.48Å; A763-A767 PolarHBondContact O-N 3.17Å
764	A	97.7	Very high	95.8	Very high	2 Å²	2	21.4 Å²	21.4	2%	0.017	11%	0.112	C	C	.	.	H	α-helix	trans	-60.5	-41.9	179.7	0	0	0	0	0	111.7	S760 L766 A767 V768 P792 F808	S760-A764 WeakPolarHBondContact O-CB 3.44Å; S760-A764 PolarHBondContact O-N 2.95Å; A764-L766 VanDerWaalsContact C-N 3.29Å; A764-L766 PolarHBondContact O-N 3.26Å; A764-A767 PolarHBondContact O-N 2.94Å; A764-V768 WeakPolarHBondContact O-CG2 3.38Å; A764-V768 PolarHBondContact O-N 3.24Å; A764-P792 HydrophobicContact CB-CG 3.92Å; A764-F808 HydrophobicContact CB-CD2 3.85Å; A764-F808 HydrophobicContact CB-CE2 4.26Å
765	R	98.2	Very high	96.1	Very high	55 Å²	55	21.1 Å²	21.1	21%	0.208	11%	0.111	C	C	.	.	H	α-helix	trans	-65.3	-30.3	172.1	-79	-179.1	60.8	-167.4	-2	113.8	K703 A704 L709 G722 S761 A763 G769 F808	K703-R765 CarbonylContact C-O 3.5Å; K703-R765 WeakPolarHBondContact CA-O 3.48Å; K703-R765 HydrophobicContact CB-CB 4.24Å; K703-R765 HydrophobicContact CG-CB 4.41Å; A704-R765 PolarHBondContact N-O 3.16Å; A704-R765 VanDerWaalsContact O-CZ 3.28Å; A704-R765 PolarHBondContact O-NE 3.37Å; A704-R765 PolarHBondContact O-NH2 2.91Å; L709-R765 HydrophobicContact CD1-CG 3.82Å; G722-R765 WeakPolarHBondContact O-CD 3.27Å; G722-R765 PolarHBondContact O-NH1 3.44Å; S761-R765 WeakPolarHBondContact O-CB 3.25Å; S761-R765 PolarHBondContact O-N 3Å; A763-R765 VanDerWaalsContact C-N 3.32Å; A763-R765 PolarHBondContact O-N 2.91Å; R765-G769 PolarHBondContact O-N 3.27Å; R765-G769 VanDerWaalsContact O-N 3.17Å; R765-F808 HydrophobicContact CG-CE2 4.15Å
766	L	98.6	Very high	96.4	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-76.8	-36.9	178.6	179.9	58.7	0	0	0	111.7	D657 L659 M660 R702 K703 G762 A763 A764 G769 C770	D657-L766 HydrophobicContact CB-CD1 4.28Å; D657-L766 HydrophobicContact CB-CD2 3.89Å; D657-L766 HydrophobicContact CB-CG 4.2Å; L659-L766 HydrophobicContact CB-CD2 3.57Å; L659-L766 HydrophobicContact CD1-CD2 4.46Å; M660-L766 HydrophobicContact CG-CB 4.28Å; M660-L766 HydrophobicContact CG-CD2 3.92Å; M660-L766 HydrophobicContact CG-CG 3.93Å; R702-L766 VanDerWaalsContact C-CD1 3.5Å; R702-L766 WeakPolarHBondContact O-CD1 3.48Å; K703-L766 HydrophobicContact CG-CB 4.3Å; G762-L766 VanDerWaalsContact O-CB 3.26Å; G762-L766 WeakPolarHBondContact O-CB 3.33Å; G762-L766 PolarHBondContact O-N 3.05Å; A763-L766 CarbonylContact O-C 3.53Å; A763-L766 WeakPolarHBondContact O-CA 3.44Å; A763-L766 WeakPolarHBondContact O-CB 3.29Å; A763-L766 PolarHBondContact O-N 3.48Å; A764-L766 VanDerWaalsContact C-N 3.29Å; A764-L766 PolarHBondContact O-N 3.26Å; L766-G769 PolarHBondContact O-N 3.44Å; L766-C770 VanDerWaalsContact O-CB 3.31Å; L766-C770 WeakPolarHBondContact O-CB 3.46Å; L766-C770 PolarHBondContact O-N 3.4Å; L766-C770 PolarHBondContact O-SG 3.41Å
767	A	98.8	Very high	96.8	Very high	1 Å²	1	24 Å²	24	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-56.5	-53.6	171.6	0	0	0	0	0	111.2	M660 A763 A764 G769 C770 V771 V790	M660-A767 HydrophobicContact SD-CB 4.01Å; A763-A767 PolarHBondContact O-N 3.17Å; A764-A767 PolarHBondContact O-N 2.94Å; A767-G769 PolarHBondContact O-N 3.1Å; A767-C770 WeakPolarHBondContact O-CB 3.29Å; A767-C770 PolarHBondContact O-N 3.4Å; A767-V771 PolarHBondContact O-N 3.23Å; A767-V771 VanDerWaalsContact O-N 3.09Å; A767-V790 HydrophobicContact CB-CB 4.1Å
768	V	98.9	Very high	97.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-55.7	-52.1	176.2	179	0	0	0	0	111.1	A704 L709 A764 C770 V771 V772 F808 S810 I813	A704-V768 HydrophobicContact CB-CB 3.96Å; A704-V768 HydrophobicContact CB-CG1 3.75Å; L709-V768 HydrophobicContact CD2-CB 4.33Å; L709-V768 HydrophobicContact CD2-CG1 4.16Å; L709-V768 HydrophobicContact CD2-CG2 4Å; A764-V768 WeakPolarHBondContact O-CG2 3.38Å; A764-V768 PolarHBondContact O-N 3.24Å; V768-C770 VanDerWaalsContact C-N 3.31Å; V768-C770 PolarHBondContact O-N 3.05Å; V768-V771 PolarHBondContact O-N 3.42Å; V768-V772 HydrophobicContact CG1-CG2 4.24Å; V768-V772 WeakPolarHBondContact O-CG2 3.32Å; V768-V772 PolarHBondContact O-N 3.27Å; V768-F808 HydrophobicContact CG2-CB 3.59Å; V768-F808 HydrophobicContact CG2-CG 4.49Å; V768-S810 WeakPolarHBondContact CA-OG 3.18Å; V768-S810 WeakPolarHBondContact CG2-OG 3.36Å; V768-S810 PolarHBondContact N-OG 3.29Å; V768-I813 HydrophobicContact CG1-CB 4.05Å; V768-I813 HydrophobicContact CG1-CD1 3.77Å; V768-I813 HydrophobicContact CG1-CG2 3.66Å; V768-I813 HydrophobicContact CG2-CD1 4.04Å
769	G	98.8	Very high	97.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-68.9	-25.9	-177	0	0	0	0	0	114	R702 R765 L766 A767 E773	R702-G769 CarbonylContact O-C 3.54Å; R702-G769 WeakPolarHBondContact O-CA 3.45Å; R765-G769 PolarHBondContact O-N 3.27Å; R765-G769 VanDerWaalsContact O-N 3.17Å; L766-G769 PolarHBondContact O-N 3.44Å; A767-G769 PolarHBondContact O-N 3.1Å; G769-E773 WeakPolarHBondContact O-CG 3.15Å; G769-E773 PolarHBondContact O-N 2.95Å; G769-E773 VanDerWaalsContact O-N 3.13Å
770	C	98.9	Very high	98	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.7	-50.1	167.9	-73.6	0	0	0	0	111.2	V655 L766 A767 V768 E773 L774 V790	V655-C770 HydrophobicContact CB-CB 4.45Å; V655-C770 HydrophobicContact CG1-CB 3.95Å; V655-C770 HydrophobicContact CG2-CB 3.62Å; L766-C770 VanDerWaalsContact O-CB 3.31Å; L766-C770 WeakPolarHBondContact O-CB 3.46Å; L766-C770 PolarHBondContact O-N 3.4Å; L766-C770 PolarHBondContact O-SG 3.41Å; A767-C770 WeakPolarHBondContact O-CB 3.29Å; A767-C770 PolarHBondContact O-N 3.4Å; V768-C770 VanDerWaalsContact C-N 3.31Å; V768-C770 PolarHBondContact O-N 3.05Å; C770-E773 PolarHBondContact O-N 3.09Å; C770-L774 PolarHBondContact O-N 2.92Å; C770-V790 HydrophobicContact CB-CG1 3.63Å
771	V	98.9	Very high	98.2	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.012	11%	0.109	C	C	.	.	H	α-helix	trans	-61.2	-46.9	178.4	177.1	0	0	0	0	110.5	A767 V768 E773 L774 V775 A788 V790 A814 A964	A767-V771 PolarHBondContact O-N 3.23Å; A767-V771 VanDerWaalsContact O-N 3.09Å; V768-V771 PolarHBondContact O-N 3.42Å; V771-E773 PolarHBondContact O-N 2.78Å; V771-L774 PolarHBondContact O-N 3.44Å; V771-V775 HydrophobicContact CG1-CG2 3.96Å; V771-V775 WeakPolarHBondContact O-CB 3.36Å; V771-V775 VanDerWaalsContact O-CG2 3.27Å; V771-V775 WeakPolarHBondContact O-CG2 3.41Å; V771-V775 PolarHBondContact O-N 3.27Å; V771-A788 HydrophobicContact CG2-CB 3.96Å; V771-V790 HydrophobicContact CG2-CG1 4.24Å; V771-V790 HydrophobicContact CG2-CG2 4.02Å; V771-A814 HydrophobicContact CG1-CB 4.04Å; V771-A964 HydrophobicContact CG1-CB 4.3Å; V771-A964 HydrophobicContact CG2-CB 3.82Å
772	V	98.9	Very high	98.3	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-58.3	-46.1	179	172.2	0	0	0	0	112.2	V768 L774 V775 F776 I813 A814 L817	V768-V772 HydrophobicContact CG1-CG2 4.24Å; V768-V772 WeakPolarHBondContact O-CG2 3.32Å; V768-V772 PolarHBondContact O-N 3.27Å; V772-L774 PolarHBondContact O-N 3.3Å; V772-V775 PolarHBondContact O-N 2.95Å; V772-F776 HydrophobicContact CG1-CD2 3.97Å; V772-F776 HydrophobicContact CG1-CE2 4.14Å; V772-F776 WeakPolarHBondContact O-CB 3.35Å; V772-F776 WeakPolarHBondContact O-CD2 3.44Å; V772-F776 PolarHBondContact O-N 3.14Å; V772-I813 HydrophobicContact CG2-CG2 4.27Å; V772-A814 HydrophobicContact CG2-CB 4.21Å; V772-L817 HydrophobicContact CG1-CD1 3.96Å; V772-L817 HydrophobicContact CG2-CD1 3.79Å
773	E	98.8	Very high	98.4	Very high	53 Å²	53	20.4 Å²	20.4	25%	0.248	11%	0.113	C	C	.	.	H	α-helix	trans	-61.8	-41.9	177.3	-75.4	-62.5	126.6	0	0	112.6	I699 R702 G769 C770 V771 K777	I699-E773 HydrophobicContact CG2-CB 4.39Å; R702-E773 HydrophobicContact CG-CG 3.91Å; R702-E773 IonicContact CZ-OE1 3.33Å; R702-E773 IonicContact NE-OE1 3.7Å; R702-E773 PolarHBondContact NE-OE1 3.25Å; R702-E773 IonicContact NH2-OE1 3.36Å; G769-E773 WeakPolarHBondContact O-CG 3.15Å; G769-E773 PolarHBondContact O-N 2.95Å; G769-E773 VanDerWaalsContact O-N 3.13Å; C770-E773 PolarHBondContact O-N 3.09Å; V771-E773 PolarHBondContact O-N 2.78Å; E773-K777 VanDerWaalsContact O-CG 3.31Å; E773-K777 WeakPolarHBondContact O-CG 3.41Å; E773-K777 PolarHBondContact O-N 3.33Å
774	L	98.9	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.3	-44.5	178.7	-175.8	64.9	0	0	0	111.8	V655 I699 C770 V771 V772 K777 V778 L783 A788 V962	V655-L774 HydrophobicContact CB-CB 4.49Å; V655-L774 HydrophobicContact CG1-CB 4.02Å; V655-L774 HydrophobicContact CG1-CD2 3.95Å; I699-L774 HydrophobicContact CG1-CD1 4.02Å; C770-L774 PolarHBondContact O-N 2.92Å; V771-L774 PolarHBondContact O-N 3.44Å; V772-L774 PolarHBondContact O-N 3.3Å; L774-K777 PolarHBondContact O-N 2.82Å; L774-V778 PolarHBondContact O-N 3.3Å; L774-V778 VanDerWaalsContact O-N 3.07Å; L774-L783 HydrophobicContact CD1-CD1 3.7Å; L774-A788 HydrophobicContact CD2-CB 4.03Å; L774-V962 HydrophobicContact CD2-CG1 3.71Å; L774-V962 HydrophobicContact CG-CG1 4.09Å; L774-V962 HydrophobicContact CG-CG2 4.25Å
775	V	98.9	Very high	98.5	Very high	2 Å²	2	23 Å²	23	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-45.5	178.7	168.2	0	0	0	0	111.4	V771 V772 K777 V778 A779 A814 L818 L921 V962	V771-V775 HydrophobicContact CG1-CG2 3.96Å; V771-V775 WeakPolarHBondContact O-CB 3.36Å; V771-V775 VanDerWaalsContact O-CG2 3.27Å; V771-V775 WeakPolarHBondContact O-CG2 3.41Å; V771-V775 PolarHBondContact O-N 3.27Å; V772-V775 PolarHBondContact O-N 2.95Å; V775-K777 VanDerWaalsContact C-N 3.35Å; V775-K777 PolarHBondContact O-N 3.28Å; V775-V778 PolarHBondContact O-N 2.8Å; V775-A779 WeakPolarHBondContact O-CB 3.5Å; V775-A779 PolarHBondContact O-N 3.13Å; V775-A814 HydrophobicContact CB-CB 4.24Å; V775-A814 HydrophobicContact CG1-CB 4.2Å; V775-A814 HydrophobicContact CG2-CB 4.05Å; V775-L818 HydrophobicContact CG1-CD1 3.61Å; V775-L818 HydrophobicContact CG1-CD2 3.9Å; V775-L818 HydrophobicContact CG1-CG 3.76Å; V775-L921 HydrophobicContact CB-CD2 4.46Å; V775-L921 HydrophobicContact CG1-CD2 3.94Å; V775-L921 HydrophobicContact CG2-CD2 3.63Å; V775-V962 HydrophobicContact CG2-CB 3.97Å; V775-V962 HydrophobicContact CG2-CG1 3.85Å; V775-V962 HydrophobicContact CG2-CG2 4.13Å
776	F	98.6	Very high	98.5	Very high	37 Å²	37	20.3 Å²	20.3	16%	0.162	11%	0.114	C	C	.	.	H	α-helix	trans	-64.7	-37.7	178	-89.3	-110.1	0	0	0	112.3	V772 A779 T780 L817 L818 R821 L822	V772-F776 HydrophobicContact CG1-CD2 3.97Å; V772-F776 HydrophobicContact CG1-CE2 4.14Å; V772-F776 WeakPolarHBondContact O-CB 3.35Å; V772-F776 WeakPolarHBondContact O-CD2 3.44Å; V772-F776 PolarHBondContact O-N 3.14Å; F776-A779 PolarHBondContact O-N 2.89Å; F776-T780 WeakPolarHBondContact O-CB 3.49Å; F776-T780 WeakPolarHBondContact O-CG2 3.28Å; F776-T780 PolarHBondContact O-N 3.26Å; F776-T780 PolarHBondContact O-OG1 3.34Å; F776-L817 HydrophobicContact CE2-CB 3.81Å; F776-L817 HydrophobicContact CZ-CB 3.95Å; F776-L817 WeakPolarHBondContact CZ-O 3.44Å; F776-L818 HydrophobicContact CD2-CD2 4.3Å; F776-L818 HydrophobicContact CE2-CD2 4.12Å; F776-L818 HydrophobicContact CZ-CD2 4.44Å; F776-R821 HydrophobicContact CE1-CB 3.88Å; F776-R821 HydrophobicContact CZ-CB 3.93Å; F776-R821 HydrophobicContact CZ-CG 4.36Å; F776-L822 HydrophobicContact CD1-CD1 3.94Å; F776-L822 HydrophobicContact CD1-CG 4.38Å; F776-L822 HydrophobicContact CE1-CD1 3.93Å; F776-L822 HydrophobicContact CE1-CG 3.94Å
777	K	98.5	Very high	98.5	Very high	46 Å²	46	20.1 Å²	20.1	20%	0.2	11%	0.112	C	C	.	.	H	α-helix	trans	-68.5	-31.7	176.9	-73.5	-179.3	177.1	-68.9	0	113.8	I699 E773 L774 V775 G781 E782 L783	I699-K777 HydrophobicContact CD1-CD 3.96Å; I699-K777 HydrophobicContact CG1-CD 4.43Å; I699-K777 HydrophobicContact CG2-CD 3.99Å; E773-K777 VanDerWaalsContact O-CG 3.31Å; E773-K777 WeakPolarHBondContact O-CG 3.41Å; E773-K777 PolarHBondContact O-N 3.33Å; L774-K777 PolarHBondContact O-N 2.82Å; V775-K777 VanDerWaalsContact C-N 3.35Å; V775-K777 PolarHBondContact O-N 3.28Å; K777-G781 PolarHBondContact O-N 2.84Å; K777-E782 HydrophobicContact CB-CB 4.32Å; K777-E782 IonicContact NZ-OE1 3.82Å; K777-E782 PolarHBondContact NZ-OE1 3.37Å; K777-E782 IonicContact NZ-OE2 2.65Å; K777-E782 PolarHBondContact NZ-OE2 2.84Å; K777-E782 PolarHBondContact O-N 3.08Å; K777-L783 HydrophobicContact CB-CD1 3.61Å; K777-L783 HydrophobicContact CB-CG 4Å; K777-L783 HydrophobicContact CD-CD1 4.37Å; K777-L783 PolarHBondContact O-N 3.02Å
778	V	98.7	Very high	98.5	Very high	1 Å²	1	20 Å²	20	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-76.6	-44.5	172.8	172.2	0	0	0	0	111.4	L774 V775 T780 G781 L783 N785 R960 V962	L774-V778 PolarHBondContact O-N 3.3Å; L774-V778 VanDerWaalsContact O-N 3.07Å; V775-V778 PolarHBondContact O-N 2.8Å; V778-T780 VanDerWaalsContact C-N 3.32Å; V778-T780 PolarHBondContact O-N 3.34Å; V778-G781 PolarHBondContact O-N 2.98Å; V778-G781 VanDerWaalsContact O-N 3.13Å; V778-L783 HydrophobicContact CG2-CB 3.82Å; V778-L783 HydrophobicContact CG2-CD1 4.3Å; V778-N785 VanDerWaalsContact CG2-C 3.48Å; V778-R960 HydrophobicContact CG1-CB 4.03Å; V778-R960 HydrophobicContact CG1-CG 4.37Å; V778-V962 HydrophobicContact CB-CG2 3.83Å; V778-V962 HydrophobicContact CG1-CG2 4.13Å; V778-V962 HydrophobicContact CG2-CG2 3.64Å
779	A	98.4	Very high	98.5	Very high	24 Å²	24	20 Å²	20	20%	0.198	11%	0.112	C	C	.	.	H	α-helix	trans	-63.6	-35.5	179.2	0	0	0	0	0	113	V775 F776 L818 L822 V919	V775-A779 WeakPolarHBondContact O-CB 3.5Å; V775-A779 PolarHBondContact O-N 3.13Å; F776-A779 PolarHBondContact O-N 2.89Å; A779-L818 HydrophobicContact CB-CD2 3.56Å; A779-L822 HydrophobicContact CB-CD1 4.05Å; A779-V919 HydrophobicContact CB-CG2 4.23Å
780	T	97.5	Very high	98.5	Very high	85 Å²	85	20.1 Å²	20.1	52%	0.521	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.4	175.7	56.2	0	0	0	0	114.3	F776 V778 L822	F776-T780 WeakPolarHBondContact O-CB 3.49Å; F776-T780 WeakPolarHBondContact O-CG2 3.28Å; F776-T780 PolarHBondContact O-N 3.26Å; F776-T780 PolarHBondContact O-OG1 3.34Å; V778-T780 VanDerWaalsContact C-N 3.32Å; V778-T780 PolarHBondContact O-N 3.34Å; T780-L822 HydrophobicContact CG2-CD1 4Å; T780-L822 HydrophobicContact CG2-CD2 4.34Å
781	G	96.8	Very high	98.5	Very high	37 Å²	37	20.2 Å²	20.2	38%	0.381	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	16.5	178	0	0	0	0	0	115.6	F650 K777 V778	F650-G781 WeakPolarHBondContact CD2-O 3.34Å; K777-G781 PolarHBondContact O-N 2.84Å; V778-G781 PolarHBondContact O-N 2.98Å; V778-G781 VanDerWaalsContact O-N 3.13Å
782	E	97.4	Very high	98.5	Very high	74 Å²	74	20.2 Å²	20.2	35%	0.346	11%	0.113	S	C	.	.	S	Bend	trans	-66	-34.4	165.9	-170	-174.2	144.5	0	0	110.6	P648 K777	P648-E782 HydrophobicContact CB-CG 4.49Å; P648-E782 HydrophobicContact CG-CG 4.27Å; K777-E782 HydrophobicContact CB-CB 4.32Å; K777-E782 IonicContact NZ-OE1 3.82Å; K777-E782 PolarHBondContact NZ-OE1 3.37Å; K777-E782 IonicContact NZ-OE2 2.65Å; K777-E782 PolarHBondContact NZ-OE2 2.84Å; K777-E782 PolarHBondContact O-N 3.08Å
783	L	98.4	Very high	98.5	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	12%	0.115	C	C	.	.	S	Bend	trans	-119	157.9	174.9	-63.7	171.4	0	0	0	111	F650 E697 I699 L774 K777 V778	F650-L783 VanDerWaalsContact CE2-O 3.29Å; F650-L783 WeakPolarHBondContact CE2-O 3.46Å; E697-L783 HydrophobicContact CB-CD2 3.96Å; E697-L783 HydrophobicContact CG-CD2 4.25Å; I699-L783 HydrophobicContact CD1-CD1 3.92Å; I699-L783 HydrophobicContact CD1-CD2 4.34Å; I699-L783 HydrophobicContact CG1-CD1 3.97Å; L774-L783 HydrophobicContact CD1-CD1 3.7Å; K777-L783 HydrophobicContact CB-CD1 3.61Å; K777-L783 HydrophobicContact CB-CG 4Å; K777-L783 HydrophobicContact CD-CD1 4.37Å; K777-L783 PolarHBondContact O-N 3.02Å; V778-L783 HydrophobicContact CG2-CB 3.82Å; V778-L783 HydrophobicContact CG2-CD1 4.3Å
784	K	98.3	Very high	98.5	Very high	57 Å²	57	18 Å²	18	25%	0.248	10%	0.103	C	C	.	.	S	Bend	trans	-74.1	-50.6	173.5	178.7	-164.5	171.1	-161.8	0	111.2	F650 T651 L985	F650-K784 HydrophobicContact CD1-CB 4.13Å; F650-K784 HydrophobicContact CE1-CB 3.86Å; F650-K784 HydrophobicContact CE1-CG 4.06Å; F650-K784 HydrophobicContact CE2-CB 4.29Å; F650-K784 HydrophobicContact CG-CB 4.48Å; F650-K784 HydrophobicContact CZ-CB 3.95Å; F650-K784 HydrophobicContact CZ-CG 4.31Å; T651-K784 PolarHBondContact O-N 2.81Å; K784-L985 PolarHBondContact NZ-O 3.17Å
785	N	98.8	Very high	98.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	-178.9	-173.3	55.8	11.5	0	0	0	109.3	T652 G653 V778 I961 L985	T652-N785 CarbonylContact C-O 3.51Å; T652-N785 WeakPolarHBondContact CA-O 3.36Å; T652-N785 VanDerWaalsContact CA-OD1 3.25Å; T652-N785 WeakPolarHBondContact CA-OD1 3.22Å; T652-N785 WeakPolarHBondContact CB-OD1 3.25Å; T652-N785 PolarHBondContact OG1-OD1 3.4Å; G653-N785 PolarHBondContact N-O 3.35Å; V778-N785 VanDerWaalsContact CG2-C 3.48Å; N785-I961 CarbonylContact C-O 3.59Å; N785-I961 WeakPolarHBondContact CA-O 3.22Å; N785-I961 HydrophobicContact CB-CG2 3.68Å; N785-I961 VanDerWaalsContact CB-O 3.23Å; N785-I961 WeakPolarHBondContact CB-O 3.43Å; N785-L985 HydrophobicContact CB-CD2 4.09Å; N785-L985 WeakPolarHBondContact ND2-CA 3.49Å; N785-L985 WeakPolarHBondContact ND2-CD2 3.49Å; N785-L985 PolarHBondContact ND2-O 2.93Å
786	G	98.8	Very high	98.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	170.4	176.6	0	0	0	0	0	117.4	G653 I961 V962 L963 L985	G653-G786 CarbonylContact O-C 3.56Å; G653-G786 WeakPolarHBondContact O-CA 3.42Å; G786-I961 PolarHBondContact N-O 2.99Å; G786-V962 WeakPolarHBondContact O-CA 3.29Å; G786-L963 PolarHBondContact O-N 3.31Å; G786-L985 WeakPolarHBondContact O-CD1 3.4Å
787	F	98.9	Very high	98.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.7	172.3	-169.9	-78.6	0	0	0	110.8	G653 L654 V655 V789 F926 L963 L965 C981 V982 L985	G653-F787 PolarHBondContact O-N 3.36Å; L654-F787 WeakPolarHBondContact CA-O 3.36Å; L654-F787 HydrophobicContact CD2-CB 3.81Å; V655-F787 PolarHBondContact N-O 2.66Å; F787-V789 HydrophobicContact CD1-CG2 3.71Å; F787-V789 HydrophobicContact CE1-CG2 3.87Å; F787-F926 HydrophobicContact CE2-CE2 4.27Å; F787-F926 AromaticContact CE2-CZ 3.97Å; F787-F926 HydrophobicContact CE2-CZ 3.97Å; F787-F926 AromaticContact CZ-CE2 3.93Å; F787-F926 HydrophobicContact CZ-CE2 3.93Å; F787-F926 HydrophobicContact CZ-CZ 4.12Å; F787-L963 CarbonylContact C-O 3.54Å; F787-L963 WeakPolarHBondContact CA-O 3.36Å; F787-L963 HydrophobicContact CD2-CB 3.47Å; F787-L963 VanDerWaalsContact CD2-CB 3.47Å; F787-L963 HydrophobicContact CD2-CD2 3.76Å; F787-L963 HydrophobicContact CD2-CG 4.28Å; F787-L963 HydrophobicContact CE2-CB 3.85Å; F787-L963 HydrophobicContact CE2-CD2 3.97Å; F787-L963 HydrophobicContact CG-CB 4.3Å; F787-L965 HydrophobicContact CE1-CB 4.48Å; F787-L965 HydrophobicContact CZ-CB 4.44Å; F787-C981 HydrophobicContact CD2-CB 4.35Å; F787-C981 HydrophobicContact CE2-CB 4.33Å; F787-V982 HydrophobicContact CB-CG2 3.81Å; F787-V982 HydrophobicContact CD1-CG2 4.47Å; F787-V982 HydrophobicContact CD2-CG2 4.3Å; F787-V982 HydrophobicContact CG-CG2 3.95Å; F787-L985 HydrophobicContact CB-CD1 3.99Å
788	A	98.9	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.9	178	0	0	0	0	0	111.5	V655 V771 L774 V790 L963 A964 L965	V655-A788 HydrophobicContact CG1-CB 3.45Å; V655-A788 VanDerWaalsContact CG1-CB 3.45Å; V771-A788 HydrophobicContact CG2-CB 3.96Å; L774-A788 HydrophobicContact CD2-CB 4.03Å; A788-V790 HydrophobicContact CB-CG1 4.02Å; A788-V790 HydrophobicContact CB-CG2 4.35Å; A788-V790 PolarHBondContact O-N 3.3Å; A788-L963 PolarHBondContact N-O 3.2Å; A788-A964 HydrophobicContact CB-CB 4.2Å; A788-L965 PolarHBondContact O-N 3.39Å; A788-L965 VanDerWaalsContact O-N 3.07Å
789	V	98.9	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.			trans	-89.7	76.5	178.8	-167.6	0	0	0	0	108.3	V655 Y656 M660 I680 I683 W684 L687 F787	V655-V789 PolarHBondContact O-N 3.24Å; Y656-V789 HydrophobicContact CD2-CB 4.08Å; Y656-V789 HydrophobicContact CD2-CG1 4Å; M660-V789 WeakPolarHBondContact CE-O 3.34Å; I680-V789 HydrophobicContact CB-CG1 3.85Å; I680-V789 HydrophobicContact CG2-CG1 3.98Å; I683-V789 HydrophobicContact CB-CG1 3.97Å; I683-V789 HydrophobicContact CG2-CG1 3.68Å; I683-V789 HydrophobicContact CG2-CG2 4.07Å; W684-V789 HydrophobicContact CE3-CG2 4.3Å; L687-V789 HydrophobicContact CD1-CG2 4.13Å; F787-V789 HydrophobicContact CD1-CG2 3.71Å; F787-V789 HydrophobicContact CE1-CG2 3.87Å
790	V	98.8	Very high	98.3	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.012	13%	0.134	C	C	.	.			trans	-116.8	157.7	-169.1	-67.4	0	0	0	0	113	M660 I680 A767 C770 V771 A788	M660-V790 HydrophobicContact CE-CB 4.35Å; M660-V790 HydrophobicContact CE-CG1 4.01Å; M660-V790 HydrophobicContact SD-CB 3.91Å; M660-V790 HydrophobicContact SD-CG1 3.93Å; I680-V790 WeakPolarHBondContact CG2-O 3.39Å; A767-V790 HydrophobicContact CB-CB 4.1Å; C770-V790 HydrophobicContact CB-CG1 3.63Å; V771-V790 HydrophobicContact CG2-CG1 4.24Å; V771-V790 HydrophobicContact CG2-CG2 4.02Å; A788-V790 HydrophobicContact CB-CG1 4.02Å; A788-V790 HydrophobicContact CB-CG2 4.35Å; A788-V790 PolarHBondContact O-N 3.3Å
791	R	98.6	Very high	98.3	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	12%	0.124	C	C	.	.	S	Bend	trans	-160.9	157.3	165.2	65	176.4	-71.1	-88.9	4	111.1	M660 H663 E675 I680	M660-R791 HydrophobicContact CB-CG 4.3Å; M660-R791 PolarHBondContact O-NH1 2.8Å; H663-R791 PolarHBondContact CD2-NH2 3.26Å; H663-R791 VanDerWaalsContact CD2-NH2 3.27Å; H663-R791 VanDerWaalsContact O-CZ 3.25Å; H663-R791 PolarHBondContact O-NH1 2.95Å; H663-R791 PolarHBondContact O-NH2 3.31Å; E675-R791 VanDerWaalsContact CD-NE 3.29Å; E675-R791 IonicContact OE1-CZ 3.2Å; E675-R791 IonicContact OE1-NE 3.92Å; E675-R791 PolarHBondContact OE1-NE 3.31Å; E675-R791 IonicContact OE1-NH2 2.77Å; E675-R791 IonicContact OE2-CZ 2.71Å; E675-R791 IonicContact OE2-NE 3.39Å; E675-R791 PolarHBondContact OE2-NE 2.77Å; E675-R791 IonicContact OE2-NH2 2.76Å; E675-R791 PolarHBondContact OE2-NH2 2.92Å; I680-R791 HydrophobicContact CD1-CG 3.73Å; I680-R791 HydrophobicContact CG1-CG 3.95Å; I680-R791 HydrophobicContact CG2-CB 4.1Å; I680-R791 HydrophobicContact CG2-CG 3.94Å
792	P	98.2	Very high	98.2	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.019	11%	0.11	C	C	.	.	S	Bend	cis	-60.6	163.9	-4.7	25.4	-34.2	0	0	0	113.2	A764 F805 Y807	A764-P792 HydrophobicContact CB-CG 3.92Å; P792-F805 WeakPolarHBondContact CB-O 3.25Å; P792-Y807 HydrophobicContact CG-CD2 4.23Å
793	P	98.6	Very high	98.2	Very high	7 Å²	7	18.8 Å²	18.8	5%	0.045	10%	0.1	C	C	.	.			trans	-61.7	172.3	168.9	29	-36	0	0	0	111.9	E675 F805 C806 E966	E675-P793 HydrophobicContact CG-CG 4.34Å; P793-F805 HydrophobicContact CG-CB 3.82Å; P793-C806 WeakPolarHBondContact O-CA 3.31Å; P793-E966 HydrophobicContact CB-CB 4.34Å
794	G	98.6	Very high	98	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.			trans	-132.6	-29.9	-174.8	0	0	0	0	0	116.6	H796 A797 C806 F808 N809 E966	G794-H796 VanDerWaalsContact C-N 3.28Å; G794-H796 PolarHBondContact O-N 3.21Å; G794-H796 VanDerWaalsContact O-N 3.11Å; G794-A797 WeakPolarHBondContact O-CB 3.49Å; G794-A797 PolarHBondContact O-N 3.37Å; G794-C806 PolarHBondContact N-SG 3.3Å; G794-F808 WeakPolarHBondContact CA-O 3.5Å; G794-N809 WeakPolarHBondContact O-CA 3.47Å; G794-N809 WeakPolarHBondContact O-CB 3.44Å; G794-E966 PolarHBondContact N-OE2 2.71Å
795	H	98.7	Very high	97.9	Very high	3 Å²	3	17.7 Å²	17.7	1%	0.014	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.9	-166.6	72.4	145	0	0	0	116.2	D831 D833 G837 G839 T840 E966	H795-D831 IonicContact CE1-OD2 3.75Å; H795-D831 IonicContact CG-OD2 3.11Å; H795-D831 IonicContact ND1-OD1 2.73Å; H795-D831 IonicContact ND1-OD2 2.71Å; H795-D831 PolarHBondContact ND1-OD2 2.93Å; H795-D833 VanDerWaalsContact CE1-CB 3.44Å; H795-D833 WeakPolarHBondContact CE1-CB 3.2Å; H795-D833 IonicContact CE1-OD1 3.03Å; H795-D833 IonicContact CE1-OD2 2.72Å; H795-D833 IonicContact NE2-OD1 3.48Å; H795-D833 IonicContact NE2-OD2 3.94Å; H795-G837 WeakPolarHBondContact ND1-CA 3.44Å; H795-G837 CarbonylContact O-C 3.57Å; H795-G839 WeakPolarHBondContact O-CA 3.44Å; H795-G839 PolarHBondContact O-N 3.2Å; H795-T840 PolarHBondContact O-N 3.09Å; H795-E966 HydrophobicContact CB-CG 4.47Å; H795-E966 IonicContact CD2-OE2 2.66Å; H795-E966 IonicContact CG-OE2 3.7Å; H795-E966 PolarHBondContact N-OE2 2.6Å
796	H	98.7	Very high	97.9	Very high	6 Å²	6	17.7 Å²	17.7	3%	0.028	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-10.6	173.6	-63.8	-54.3	0	0	0	115.1	G794 E798 M803 C806 H835 H836 N838 F864	G794-H796 VanDerWaalsContact C-N 3.28Å; G794-H796 PolarHBondContact O-N 3.21Å; G794-H796 VanDerWaalsContact O-N 3.11Å; H796-E798 PolarHBondContact O-N 3.41Å; H796-M803 HydrophobicContact CB-CG 4.28Å; H796-M803 WeakPolarHBondContact CB-O 3.28Å; H796-M803 WeakPolarHBondContact O-CG 3.4Å; H796-C806 HydrophobicContact CB-CB 3.95Å; H796-C806 PolarHBondContact N-SG 2.94Å; H796-H835 VanDerWaalsContact CE1-CB 3.49Å; H796-H835 WeakPolarHBondContact CE1-CB 3.41Å; H796-H836 PolarHBondContact CE1-O 3.41Å; H796-H836 PolarHBondContact ND1-O 2.9Å; H796-H836 VanDerWaalsContact ND1-O 3.12Å; H796-N838 WeakPolarHBondContact CA-OD1 3.2Å; H796-N838 PolarHBondContact ND1-OD1 2.9Å; H796-N838 PolarHBondContact O-ND2 3.05Å; H796-F864 AromaticContact CD2-CE1 3.89Å; H796-F864 AromaticContact CE1-CE1 3.85Å; H796-F864 AromaticContact NE2-CE1 3.57Å
797	A	98.4	Very high	97.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.096	C	C	.	.			trans	-76.6	113.6	-177.7	0	0	0	0	0	111.2	G794 C806 G839	G794-A797 WeakPolarHBondContact O-CB 3.49Å; G794-A797 PolarHBondContact O-N 3.37Å; A797-C806 HydrophobicContact CB-CB 3.83Å; A797-G839 WeakPolarHBondContact O-CA 3.41Å
798	E	98.5	Very high	97.9	Very high	54 Å²	54	17.9 Å²	17.9	25%	0.252	10%	0.097	S	C	.	.	B	Isolated β-bridge	trans	-83.2	173.7	176.2	-69.6	-169.3	-169.6	0	0	111.9	H713 H796 S800 T801 N838 Q842	H713-E798 PolarHBondContact CE1-O 2.94Å; H713-E798 PolarHBondContact ND1-O 3.23Å; H796-E798 PolarHBondContact O-N 3.41Å; E798-S800 PolarHBondContact O-N 3.38Å; E798-S800 VanDerWaalsContact O-N 3.08Å; E798-T801 PolarHBondContact N-O 3.43Å; E798-N838 WeakPolarHBondContact CG-ND2 3.32Å; E798-N838 PolarHBondContact OE1-ND2 3.37Å; E798-Q842 VanDerWaalsContact CB-OE1 3.27Å; E798-Q842 PolarHBondContact OE2-NE2 3.3Å
799	E	98.2	Very high	97.8	Very high	106 Å²	106	17.9 Å²	17.9	50%	0.495	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-41.4	-176.4	-173.4	-165.9	149.2	0	0	112.5	H713 S714	H713-E799 CarbonylContact C-O 3.38Å; H713-E799 WeakPolarHBondContact CA-O 3.39Å; H713-E799 VanDerWaalsContact CB-O 3.32Å; H713-E799 WeakPolarHBondContact CB-O 3.22Å; S714-E799 PolarHBondContact N-O 3.3Å
800	S	97.1	Very high	97.9	Very high	62 Å²	62	18.1 Å²	18.1	43%	0.434	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.7	20.3	-177.9	-62	0	0	0	0	114.1	S714 E798	S714-S800 WeakPolarHBondContact CB-OG 3.4Å; S714-S800 PolarHBondContact OG-OG 2.89Å; E798-S800 PolarHBondContact O-N 3.38Å; E798-S800 VanDerWaalsContact O-N 3.08Å
801	T	95.9	Very high	97.9	Very high	51 Å²	51	18.1 Å²	18.1	31%	0.313	10%	0.098	S	C	.	.	B	Isolated β-bridge	trans	-140.5	115.5	-176.6	-61.1	0	0	0	0	111.5	E798	E798-T801 PolarHBondContact N-O 3.43Å
802	P	96.3	Very high	97.9	Very high	15 Å²	15	18 Å²	18	10%	0.097	10%	0.098	C	C	.	.			trans	-80.4	142.9	163.7	35.1	-32.8	0	0	0	110	Y721 V749 T753 C806 Y807	Y721-P802 HydrophobicContact CE1-CG 4.27Å; Y721-P802 HydrophobicContact CE2-CG 3.78Å; V749-P802 HydrophobicContact CB-CG 4.27Å; V749-P802 HydrophobicContact CG1-CG 4.2Å; V749-P802 HydrophobicContact CG2-CB 4.27Å; V749-P802 HydrophobicContact CG2-CG 3.89Å; T753-P802 HydrophobicContact CG2-CB 4.5Å; P802-C806 VanDerWaalsContact CA-O 3.26Å; P802-C806 WeakPolarHBondContact CA-O 3.34Å; P802-C806 WeakPolarHBondContact CB-O 3.4Å; P802-Y807 HydrophobicContact CB-CD1 3.72Å; P802-Y807 HydrophobicContact CB-CE1 3.98Å; P802-Y807 HydrophobicContact CG-CD1 4.4Å; P802-Y807 HydrophobicContact CG-CE1 4.36Å
803	M	96.3	Very high	97.9	Very high	25 Å²	25	17.9 Å²	17.9	12%	0.123	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-168.1	161.8	176.9	53	178.2	-77.6	0	0	109.8	H796 F805 C806 F864 P865	H796-M803 HydrophobicContact CB-CG 4.28Å; H796-M803 WeakPolarHBondContact CB-O 3.28Å; H796-M803 WeakPolarHBondContact O-CG 3.4Å; M803-F805 PolarHBondContact O-N 3.5Å; M803-C806 PolarHBondContact N-O 2.89Å; M803-C806 WeakPolarHBondContact O-CB 3.42Å; M803-C806 PolarHBondContact O-N 3.41Å; M803-F864 HydrophobicContact CE-CE2 4.12Å; M803-F864 HydrophobicContact CE-CZ 3.75Å; M803-P865 HydrophobicContact CE-CB 3.8Å
804	G	94.7	Very high	97.9	Very high	2 Å²	2	17.6 Å²	17.6	2%	0.021	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	47.5	173.7	0	0	0	0	0	112.4	D752 T753 C806	D752-G804 PolarHBondContact OD2-N 3.47Å; T753-G804 PolarHBondContact OG1-N 2.97Å; G804-C806 PolarHBondContact O-N 2.71Å; G804-C806 PolarHBondContact O-SG 3.11Å
805	F	96.7	Very high	97.9	Very high	35 Å²	35	17.6 Å²	17.6	15%	0.154	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	-7.3	-171.2	-36.6	-72.5	0	0	0	116.3	P674 E675 D752 T753 P792 P793 M803 H969	P674-F805 HydrophobicContact CB-CZ 4.48Å; E675-F805 HydrophobicContact CB-CB 3.98Å; E675-F805 HydrophobicContact CB-CD1 3.57Å; E675-F805 HydrophobicContact CB-CD2 4.1Å; E675-F805 HydrophobicContact CB-CE1 4.04Å; E675-F805 HydrophobicContact CB-CG 3.61Å; E675-F805 HydrophobicContact CB-CZ 4.49Å; E675-F805 HydrophobicContact CG-CB 3.93Å; E675-F805 HydrophobicContact CG-CD1 4.45Å; E675-F805 HydrophobicContact CG-CD2 4.41Å; E675-F805 HydrophobicContact CG-CG 4.03Å; D752-F805 HydrophobicContact CB-CD1 4.22Å; D752-F805 HydrophobicContact CB-CE1 3.75Å; D752-F805 HydrophobicContact CB-CZ 4.35Å; D752-F805 WeakPolarHBondContact O-CD1 3.38Å; T753-F805 WeakPolarHBondContact OG1-CA 3.4Å; T753-F805 PolarHBondContact OG1-N 3.03Å; P792-F805 WeakPolarHBondContact CB-O 3.25Å; P793-F805 HydrophobicContact CG-CB 3.82Å; M803-F805 PolarHBondContact O-N 3.5Å; F805-H969 AromaticContact CE2-CE1 3.77Å; F805-H969 AromaticContact CE2-NE2 3.88Å
806	C	98.3	Very high	97.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-90.6	137.3	-170.1	-61.3	0	0	0	0	112.9	P793 G794 H796 A797 P802 M803 G804	P793-C806 WeakPolarHBondContact O-CA 3.31Å; G794-C806 PolarHBondContact N-SG 3.3Å; H796-C806 HydrophobicContact CB-CB 3.95Å; H796-C806 PolarHBondContact N-SG 2.94Å; A797-C806 HydrophobicContact CB-CB 3.83Å; P802-C806 VanDerWaalsContact CA-O 3.26Å; P802-C806 WeakPolarHBondContact CA-O 3.34Å; P802-C806 WeakPolarHBondContact CB-O 3.4Å; M803-C806 PolarHBondContact N-O 2.89Å; M803-C806 WeakPolarHBondContact O-CB 3.42Å; M803-C806 PolarHBondContact O-N 3.41Å; G804-C806 PolarHBondContact O-N 2.71Å; G804-C806 PolarHBondContact O-SG 3.11Å
807	Y	98	Very high	97.9	Very high	1 Å²	1	18.7 Å²	18.7	0%	0.004	10%	0.1	C	C	.	.	S	Bend	trans	-116.6	-35.8	176.4	-78.1	-73.3	0	0	0	114.5	H717 Y721 V749 T753 I754 W755 P792 P802	H717-Y807 PolarHBondContact NE2-O 3.47Å; Y721-Y807 AromaticContact CD1-CD1 3.71Å; Y721-Y807 HydrophobicContact CD1-CD1 3.71Å; Y721-Y807 AromaticContact CD1-CE1 3.72Å; Y721-Y807 HydrophobicContact CD1-CE1 3.72Å; Y721-Y807 HydrophobicContact CE1-CD1 4.24Å; Y721-Y807 AromaticContact CE1-CE1 3.92Å; Y721-Y807 HydrophobicContact CE1-CE1 3.92Å; Y721-Y807 AromaticContact CG-CD1 3.91Å; Y721-Y807 HydrophobicContact CG-CD1 3.91Å; Y721-Y807 HydrophobicContact CG-CE1 4.38Å; V749-Y807 HydrophobicContact CG1-CE1 4.2Å; V749-Y807 HydrophobicContact CG2-CE1 4.35Å; T753-Y807 HydrophobicContact CG2-CD2 4.28Å; T753-Y807 HydrophobicContact CG2-CE1 4.01Å; T753-Y807 HydrophobicContact CG2-CE2 3.65Å; T753-Y807 VanDerWaalsContact CG2-CZ 3.48Å; T753-Y807 PolarHBondContact O-OH 3.42Å; T753-Y807 VanDerWaalsContact O-OH 3.12Å; I754-Y807 VanDerWaalsContact C-OH 3.29Å; I754-Y807 PolarHBondContact O-OH 3.48Å; W755-Y807 HydrophobicContact CE3-CD1 4.36Å; W755-Y807 AromaticContact CE3-CE1 3.65Å; W755-Y807 HydrophobicContact CE3-CE1 3.65Å; W755-Y807 HydrophobicContact CE3-CE2 4.16Å; W755-Y807 AromaticContact CE3-CZ 3.53Å; W755-Y807 HydrophobicContact CZ3-CD1 4.09Å; W755-Y807 AromaticContact CZ3-CE1 3.84Å; W755-Y807 HydrophobicContact CZ3-CE1 3.84Å; W755-Y807 HydrophobicContact CZ3-CE2 4.45Å; P792-Y807 HydrophobicContact CG-CD2 4.23Å; P802-Y807 HydrophobicContact CB-CD1 3.72Å; P802-Y807 HydrophobicContact CB-CE1 3.98Å; P802-Y807 HydrophobicContact CG-CD1 4.4Å; P802-Y807 HydrophobicContact CG-CE1 4.36Å
808	F	98.7	Very high	98	Very high	3 Å²	3	18.7 Å²	18.7	1%	0.013	10%	0.1	C	C	.	.	S	Bend	trans	-145.4	132.9	178.9	-65.5	-61.4	0	0	0	109.3	L709 H713 H717 A764 R765 V768 G794 S810 I813	L709-F808 HydrophobicContact CB-CD1 4.45Å; L709-F808 HydrophobicContact CB-CE1 4.35Å; L709-F808 HydrophobicContact CD1-CD1 4.18Å; L709-F808 HydrophobicContact CD1-CD2 4.23Å; L709-F808 HydrophobicContact CD1-CE1 3.7Å; L709-F808 HydrophobicContact CD1-CE2 3.77Å; L709-F808 HydrophobicContact CD1-CG 4.43Å; L709-F808 HydrophobicContact CD1-CZ 3.47Å; L709-F808 VanDerWaalsContact CD1-CZ 3.47Å; L709-F808 HydrophobicContact CD2-CB 4.09Å; L709-F808 HydrophobicContact CD2-CD1 3.89Å; L709-F808 HydrophobicContact CD2-CD2 3.99Å; L709-F808 HydrophobicContact CD2-CE1 4.28Å; L709-F808 HydrophobicContact CD2-CE2 4.39Å; L709-F808 HydrophobicContact CD2-CG 3.73Å; L709-F808 HydrophobicContact CG-CD1 4.39Å; L709-F808 HydrophobicContact CG-CE1 4.33Å; L709-F808 HydrophobicContact CG-CZ 4.49Å; H713-F808 AromaticContact CD2-CD1 3.68Å; H713-F808 WeakPolarHBondContact NE2-CA 3.44Å; H713-F808 AromaticContact NE2-CD1 3.99Å; H717-F808 AromaticContact CD2-CD1 3.98Å; H717-F808 AromaticContact CD2-CE1 3.61Å; H717-F808 AromaticContact NE2-CD1 3.92Å; H717-F808 AromaticContact NE2-CE1 3.87Å; A764-F808 HydrophobicContact CB-CD2 3.85Å; A764-F808 HydrophobicContact CB-CE2 4.26Å; R765-F808 HydrophobicContact CG-CE2 4.15Å; V768-F808 HydrophobicContact CG2-CB 3.59Å; V768-F808 HydrophobicContact CG2-CG 4.49Å; G794-F808 WeakPolarHBondContact CA-O 3.5Å; F808-S810 PolarHBondContact O-N 2.91Å; F808-I813 HydrophobicContact CB-CD1 4.25Å
809	N	98.8	Very high	98	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.			trans	-79.9	89.4	-175.9	-169.3	-32.4	0	0	0	111.1	V712 H713 G794 V811 A812 I813 T840	V712-N809 HydrophobicContact CG1-CB 4.4Å; H713-N809 PolarHBondContact NE2-N 3.47Å; G794-N809 WeakPolarHBondContact O-CA 3.47Å; G794-N809 WeakPolarHBondContact O-CB 3.44Å; N809-V811 VanDerWaalsContact C-N 3.26Å; N809-V811 PolarHBondContact O-N 3.48Å; N809-V811 PolarHBondContact OD1-N 3.19Å; N809-A812 HydrophobicContact CB-CB 3.95Å; N809-A812 PolarHBondContact O-N 3.07Å; N809-A812 WeakPolarHBondContact OD1-CB 3.36Å; N809-A812 PolarHBondContact OD1-N 2.95Å; N809-I813 WeakPolarHBondContact O-CB 3.37Å; N809-I813 WeakPolarHBondContact O-CD1 3.35Å; N809-I813 VanDerWaalsContact O-CG1 3.23Å; N809-I813 WeakPolarHBondContact O-CG1 3.24Å; N809-I813 PolarHBondContact O-N 3.21Å; N809-T840 WeakPolarHBondContact ND2-CA 3.44Å; N809-T840 PolarHBondContact ND2-N 3.03Å; N809-T840 VanDerWaalsContact ND2-N 3.13Å; N809-T840 PolarHBondContact ND2-OG1 3.33Å
810	S	98.9	Very high	97.9	Very high	4 Å²	4	18.3 Å²	18.3	3%	0.028	10%	0.098	C	C	.	.	H	α-helix	trans	-56.5	-36.4	-175.8	-61.7	0	0	0	0	113.6	V768 F808 A814	V768-S810 WeakPolarHBondContact CA-OG 3.18Å; V768-S810 WeakPolarHBondContact CG2-OG 3.36Å; V768-S810 PolarHBondContact N-OG 3.29Å; F808-S810 PolarHBondContact O-N 2.91Å; S810-A814 WeakPolarHBondContact O-CB 3.2Å; S810-A814 PolarHBondContact O-N 2.97Å
811	V	98.9	Very high	98	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.012	10%	0.096	C	C	.	.	H	α-helix	trans	-78.6	-44.9	-178.8	176.4	0	0	0	0	111	N809 I813 A814 A815 I829 L921 S923 A964	N809-V811 VanDerWaalsContact C-N 3.26Å; N809-V811 PolarHBondContact O-N 3.48Å; N809-V811 PolarHBondContact OD1-N 3.19Å; V811-I813 PolarHBondContact O-N 3.02Å; V811-A814 PolarHBondContact O-N 3.44Å; V811-A815 PolarHBondContact O-N 3.07Å; V811-I829 HydrophobicContact CG1-CD1 4.34Å; V811-I829 HydrophobicContact CG1-CG1 4.47Å; V811-I829 HydrophobicContact CG1-CG2 3.8Å; V811-L921 HydrophobicContact CG1-CB 3.89Å; V811-L921 HydrophobicContact CG1-CD1 4.02Å; V811-S923 WeakPolarHBondContact CG2-OG 3.41Å; V811-A964 HydrophobicContact CG2-CB 3.94Å
812	A	98.9	Very high	98.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.2	-42	176.4	0	0	0	0	0	112.3	V712 N809 A814 A815 K816 A843 F844	V712-A812 HydrophobicContact CG1-CB 4.27Å; V712-A812 HydrophobicContact CG2-CB 3.86Å; N809-A812 HydrophobicContact CB-CB 3.95Å; N809-A812 PolarHBondContact O-N 3.07Å; N809-A812 WeakPolarHBondContact OD1-CB 3.36Å; N809-A812 PolarHBondContact OD1-N 2.95Å; A812-A814 VanDerWaalsContact C-N 3.33Å; A812-A814 PolarHBondContact O-N 3.49Å; A812-A815 PolarHBondContact O-N 3.37Å; A812-K816 WeakPolarHBondContact O-CG 3.48Å; A812-K816 PolarHBondContact O-N 3.31Å; A812-A843 HydrophobicContact CB-CB 3.93Å; A812-F844 HydrophobicContact CB-CE2 3.65Å; A812-F844 HydrophobicContact CB-CZ 4.19Å
813	I	98.9	Very high	98.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.2	-43.6	175.1	-69.2	162.4	0	0	0	110.4	E708 L709 V712 V768 V772 F808 N809 V811 A815 K816 L817	E708-I813 VanDerWaalsContact O-CG2 3.31Å; E708-I813 WeakPolarHBondContact O-CG2 3.27Å; L709-I813 HydrophobicContact CD2-CD1 3.84Å; V712-I813 HydrophobicContact CB-CG1 3.87Å; V712-I813 HydrophobicContact CG2-CB 4.42Å; V712-I813 HydrophobicContact CG2-CG1 3.69Å; V768-I813 HydrophobicContact CG1-CB 4.05Å; V768-I813 HydrophobicContact CG1-CD1 3.77Å; V768-I813 HydrophobicContact CG1-CG2 3.66Å; V768-I813 HydrophobicContact CG2-CD1 4.04Å; V772-I813 HydrophobicContact CG2-CG2 4.27Å; F808-I813 HydrophobicContact CB-CD1 4.25Å; N809-I813 WeakPolarHBondContact O-CB 3.37Å; N809-I813 WeakPolarHBondContact O-CD1 3.35Å; N809-I813 VanDerWaalsContact O-CG1 3.23Å; N809-I813 WeakPolarHBondContact O-CG1 3.24Å; N809-I813 PolarHBondContact O-N 3.21Å; V811-I813 PolarHBondContact O-N 3.02Å; I813-A815 VanDerWaalsContact C-N 3.34Å; I813-A815 PolarHBondContact O-N 3.3Å; I813-K816 PolarHBondContact O-N 2.79Å; I813-L817 HydrophobicContact CG2-CD1 3.72Å; I813-L817 HydrophobicContact CG2-CG 4.34Å; I813-L817 WeakPolarHBondContact O-CB 3.41Å; I813-L817 WeakPolarHBondContact O-CG 3.29Å; I813-L817 PolarHBondContact O-N 2.68Å
814	A	98.9	Very high	98.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.8	-41.2	176.2	0	0	0	0	0	112.3	V771 V772 V775 S810 V811 A812 L817 L818 L921	V771-A814 HydrophobicContact CG1-CB 4.04Å; V772-A814 HydrophobicContact CG2-CB 4.21Å; V775-A814 HydrophobicContact CB-CB 4.24Å; V775-A814 HydrophobicContact CG1-CB 4.2Å; V775-A814 HydrophobicContact CG2-CB 4.05Å; S810-A814 WeakPolarHBondContact O-CB 3.2Å; S810-A814 PolarHBondContact O-N 2.97Å; V811-A814 PolarHBondContact O-N 3.44Å; A812-A814 VanDerWaalsContact C-N 3.33Å; A812-A814 PolarHBondContact O-N 3.49Å; A814-L817 PolarHBondContact O-N 2.87Å; A814-L818 WeakPolarHBondContact O-CG 3.37Å; A814-L818 PolarHBondContact O-N 3.36Å; A814-L921 HydrophobicContact CB-CD1 4.43Å
815	A	98.9	Very high	98.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.3	-47.6	175.6	0	0	0	0	0	113.2	V811 A812 I813 L817 L818 Q819 I827 I829 F844 L921	V811-A815 PolarHBondContact O-N 3.07Å; A812-A815 PolarHBondContact O-N 3.37Å; I813-A815 VanDerWaalsContact C-N 3.34Å; I813-A815 PolarHBondContact O-N 3.3Å; A815-L817 VanDerWaalsContact C-N 3.27Å; A815-L817 PolarHBondContact O-N 3.29Å; A815-L818 WeakPolarHBondContact O-CB 3.42Å; A815-L818 PolarHBondContact O-N 3.06Å; A815-L818 VanDerWaalsContact O-N 3.13Å; A815-Q819 PolarHBondContact O-N 3.5Å; A815-I827 HydrophobicContact CB-CD1 3.98Å; A815-I827 HydrophobicContact CB-CG2 4.25Å; A815-I827 WeakPolarHBondContact O-CD1 3.44Å; A815-I829 HydrophobicContact CB-CD1 4.05Å; A815-F844 HydrophobicContact CB-CE1 4.23Å; A815-F844 HydrophobicContact CB-CE2 4.31Å; A815-F844 HydrophobicContact CB-CZ 3.6Å; A815-L921 HydrophobicContact CB-CD1 3.9Å
816	K	98.7	Very high	98.4	Very high	32 Å²	32	31.8 Å²	31.8	14%	0.139	16%	0.159	C	C	.	.	H	α-helix	trans	-58.5	-39.8	175.1	-67.2	-66.4	-179.4	-163.5	0	111.6	V712 A812 I813 Q819 Q820 A843 F844 D847	V712-K816 HydrophobicContact CG2-CG 3.76Å; A812-K816 WeakPolarHBondContact O-CG 3.48Å; A812-K816 PolarHBondContact O-N 3.31Å; I813-K816 PolarHBondContact O-N 2.79Å; K816-Q819 PolarHBondContact O-N 2.88Å; K816-Q820 WeakPolarHBondContact O-CB 3.35Å; K816-Q820 VanDerWaalsContact O-CG 3.24Å; K816-Q820 WeakPolarHBondContact O-CG 3.45Å; K816-Q820 PolarHBondContact O-N 3.19Å; K816-A843 WeakPolarHBondContact CE-O 3.42Å; K816-A843 PolarHBondContact NZ-O 2.93Å; K816-F844 HydrophobicContact CD-CE1 3.64Å; K816-F844 HydrophobicContact CD-CZ 4.03Å; K816-F844 HydrophobicContact CG-CE1 4.09Å; K816-F844 HydrophobicContact CG-CZ 3.96Å; K816-F844 VanDerWaalsContact NZ-CD1 3.32Å; K816-F844 VanDerWaalsContact NZ-CE1 3.28Å; K816-D847 IonicContact NZ-OD2 3.01Å
817	L	98.8	Very high	98.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-69.6	-34.7	176.8	-68.2	172.2	0	0	0	112.9	E708 T711 V772 F776 I813 A814 A815 Q820 R821	E708-L817 HydrophobicContact CB-CD1 4.04Å; E708-L817 HydrophobicContact CG-CD1 3.78Å; E708-L817 HydrophobicContact CG-CD2 4.07Å; T711-L817 HydrophobicContact CG2-CD2 3.8Å; T711-L817 HydrophobicContact CG2-CG 4.35Å; V772-L817 HydrophobicContact CG1-CD1 3.96Å; V772-L817 HydrophobicContact CG2-CD1 3.79Å; F776-L817 HydrophobicContact CE2-CB 3.81Å; F776-L817 HydrophobicContact CZ-CB 3.95Å; F776-L817 WeakPolarHBondContact CZ-O 3.44Å; I813-L817 HydrophobicContact CG2-CD1 3.72Å; I813-L817 HydrophobicContact CG2-CG 4.34Å; I813-L817 WeakPolarHBondContact O-CB 3.41Å; I813-L817 WeakPolarHBondContact O-CG 3.29Å; I813-L817 PolarHBondContact O-N 2.68Å; A814-L817 PolarHBondContact O-N 2.87Å; A815-L817 VanDerWaalsContact C-N 3.27Å; A815-L817 PolarHBondContact O-N 3.29Å; L817-Q820 PolarHBondContact O-N 3.11Å; L817-R821 VanDerWaalsContact O-CB 3.29Å; L817-R821 WeakPolarHBondContact O-CB 3.33Å; L817-R821 PolarHBondContact O-N 2.8Å
818	L	98.7	Very high	98.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.9	-44	171.5	-77.5	-177.1	0	0	0	111.7	V775 F776 A779 A814 A815 L822 N823 V824 I827 V919	V775-L818 HydrophobicContact CG1-CD1 3.61Å; V775-L818 HydrophobicContact CG1-CD2 3.9Å; V775-L818 HydrophobicContact CG1-CG 3.76Å; F776-L818 HydrophobicContact CD2-CD2 4.3Å; F776-L818 HydrophobicContact CE2-CD2 4.12Å; F776-L818 HydrophobicContact CZ-CD2 4.44Å; A779-L818 HydrophobicContact CB-CD2 3.56Å; A814-L818 WeakPolarHBondContact O-CG 3.37Å; A814-L818 PolarHBondContact O-N 3.36Å; A815-L818 WeakPolarHBondContact O-CB 3.42Å; A815-L818 PolarHBondContact O-N 3.06Å; A815-L818 VanDerWaalsContact O-N 3.13Å; L818-L822 HydrophobicContact CD2-CD1 3.85Å; L818-L822 CarbonylContact O-C 3.59Å; L818-L822 WeakPolarHBondContact O-CA 3.27Å; L818-L822 PolarHBondContact O-N 3.01Å; L818-L822 VanDerWaalsContact O-N 3.09Å; L818-N823 PolarHBondContact O-N 3.18Å; L818-V824 HydrophobicContact CB-CB 4.2Å; L818-V824 HydrophobicContact CB-CG2 3.91Å; L818-V824 HydrophobicContact CD2-CG2 4.21Å; L818-V824 HydrophobicContact CG-CG2 4.46Å; L818-V824 PolarHBondContact O-N 2.92Å; L818-I827 HydrophobicContact CB-CD1 3.78Å; L818-I827 HydrophobicContact CD1-CD1 4.1Å; L818-V919 HydrophobicContact CD1-CB 4.3Å; L818-V919 HydrophobicContact CD1-CG1 4Å; L818-V919 HydrophobicContact CD1-CG2 4.38Å
819	Q	98.4	Very high	98.5	Very high	34 Å²	34	31.6 Å²	31.6	16%	0.159	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-55.3	173.4	-65.6	174.8	-54.6	0	0	110.4	A815 K816 R821 N823 I827 D847	A815-Q819 PolarHBondContact O-N 3.5Å; K816-Q819 PolarHBondContact O-N 2.88Å; Q819-R821 PolarHBondContact O-N 2.98Å; Q819-N823 VanDerWaalsContact O-CA 3.27Å; Q819-N823 WeakPolarHBondContact O-CA 3.49Å; Q819-N823 PolarHBondContact O-N 3.12Å; Q819-N823 VanDerWaalsContact O-N 3.09Å; Q819-I827 HydrophobicContact CG-CD1 3.94Å; Q819-D847 PolarHBondContact NE2-OD2 3.12Å
820	Q	98.1	Very high	98.5	Very high	117 Å²	117	31.6 Å²	31.6	55%	0.547	16%	0.158	S	C	.	.	H	α-helix	trans	-68.1	-35.3	-172.9	-70.7	171.9	3.4	0	0	115	K816 L817	K816-Q820 WeakPolarHBondContact O-CB 3.35Å; K816-Q820 VanDerWaalsContact O-CG 3.24Å; K816-Q820 WeakPolarHBondContact O-CG 3.45Å; K816-Q820 PolarHBondContact O-N 3.19Å; L817-Q820 PolarHBondContact O-N 3.11Å
821	R	98.3	Very high	98.5	Very high	108 Å²	108	31.4 Å²	31.4	41%	0.408	16%	0.157	S	C	.	.	H	α-helix	trans	-106.3	-23.4	-171.2	-60.9	-178.2	174.2	163.6	-0.2	114.4	E708 F776 L817 Q819	E708-R821 VanDerWaalsContact CG-NH2 3.29Å; E708-R821 IonicContact OE1-CZ 3.62Å; E708-R821 IonicContact OE1-NH1 2.68Å; E708-R821 PolarHBondContact OE1-NH1 2.93Å; E708-R821 IonicContact OE1-NH2 2.72Å; E708-R821 PolarHBondContact OE1-NH2 2.83Å; F776-R821 HydrophobicContact CE1-CB 3.88Å; F776-R821 HydrophobicContact CZ-CB 3.93Å; F776-R821 HydrophobicContact CZ-CG 4.36Å; L817-R821 VanDerWaalsContact O-CB 3.29Å; L817-R821 WeakPolarHBondContact O-CB 3.33Å; L817-R821 PolarHBondContact O-N 2.8Å; Q819-R821 PolarHBondContact O-N 2.98Å
822	L	97.7	Very high	98.5	Very high	68 Å²	68	31.3 Å²	31.3	36%	0.356	16%	0.156	S	C	.	.	H	α-helix	trans	-122.8	-3.7	-178.4	-65.6	179.9	0	0	0	113.5	F776 A779 T780 L818 V824	F776-L822 HydrophobicContact CD1-CD1 3.94Å; F776-L822 HydrophobicContact CD1-CG 4.38Å; F776-L822 HydrophobicContact CE1-CD1 3.93Å; F776-L822 HydrophobicContact CE1-CG 3.94Å; A779-L822 HydrophobicContact CB-CD1 4.05Å; T780-L822 HydrophobicContact CG2-CD1 4Å; T780-L822 HydrophobicContact CG2-CD2 4.34Å; L818-L822 HydrophobicContact CD2-CD1 3.85Å; L818-L822 CarbonylContact O-C 3.59Å; L818-L822 WeakPolarHBondContact O-CA 3.27Å; L818-L822 PolarHBondContact O-N 3.01Å; L818-L822 VanDerWaalsContact O-N 3.09Å; L822-V824 HydrophobicContact CB-CG2 4Å; L822-V824 PolarHBondContact O-N 3.48Å
823	N	97.1	Very high	98.5	Very high	131 Å²	131	31.4 Å²	31.4	70%	0.701	16%	0.156	S	C	*	.			trans	54	37.4	-177.1	-54.6	-64.9	0	0	0	113.1	L818 Q819 S825	L818-N823 PolarHBondContact O-N 3.18Å; Q819-N823 VanDerWaalsContact O-CA 3.27Å; Q819-N823 WeakPolarHBondContact O-CA 3.49Å; Q819-N823 PolarHBondContact O-N 3.12Å; Q819-N823 VanDerWaalsContact O-N 3.09Å; N823-S825 PolarHBondContact O-N 3.46Å
824	V	98.1	Very high	98.5	Very high	22 Å²	22	31.4 Å²	31.4	13%	0.133	16%	0.156	C	C	.	.			trans	-62.5	120.7	175.1	-177.6	0	0	0	0	108.6	L818 L822 I827 D918 V919	L818-V824 HydrophobicContact CB-CB 4.2Å; L818-V824 HydrophobicContact CB-CG2 3.91Å; L818-V824 HydrophobicContact CD2-CG2 4.21Å; L818-V824 HydrophobicContact CG-CG2 4.46Å; L818-V824 PolarHBondContact O-N 2.92Å; L822-V824 HydrophobicContact CB-CG2 4Å; L822-V824 PolarHBondContact O-N 3.48Å; V824-I827 HydrophobicContact CB-CD1 4.45Å; V824-I827 HydrophobicContact CB-CG1 4.31Å; V824-I827 HydrophobicContact CG1-CD1 4.37Å; V824-I827 HydrophobicContact CG1-CG1 3.74Å; V824-D918 HydrophobicContact CG1-CB 3.73Å; V824-V919 HydrophobicContact CG1-CB 4.49Å; V824-V919 HydrophobicContact CG1-CG2 4.05Å
825	S	97.3	Very high	98.5	Very high	75 Å²	75	32.1 Å²	32.1	52%	0.524	16%	0.16	S	C	.	.	S	Bend	trans	-83.3	-32	-166.6	-60.3	0	0	0	0	113	N823 N849 D918	N823-S825 PolarHBondContact O-N 3.46Å; S825-N849 WeakPolarHBondContact O-CB 3.49Å; S825-D918 WeakPolarHBondContact CB-OD2 3.27Å; S825-D918 PolarHBondContact N-OD2 3.19Å
826	K	98.8	Very high	98.5	Very high	70 Å²	70	32.1 Å²	32.1	30%	0.304	16%	0.16	S	C	.	.			trans	-138.4	117.2	177.4	-68.9	-176.1	-63.2	171.5	0	111.7	N849 F915 A916 D918	K826-N849 WeakPolarHBondContact CA-O 3.31Å; K826-F915 HydrophobicContact CB-CE1 3.85Å; K826-F915 HydrophobicContact CB-CE2 4.32Å; K826-F915 HydrophobicContact CB-CZ 3.67Å; K826-F915 HydrophobicContact CD-CD2 4.36Å; K826-F915 HydrophobicContact CD-CE2 4.08Å; K826-F915 HydrophobicContact CD-CZ 4.28Å; K826-F915 WeakPolarHBondContact CD-O 3.35Å; K826-F915 WeakPolarHBondContact CE-O 3.16Å; K826-F915 HydrophobicContact CG-CE2 4.11Å; K826-F915 HydrophobicContact CG-CZ 3.94Å; K826-F915 PolarHBondContact NZ-O 3.46Å; K826-A916 WeakPolarHBondContact CE-O 3.04Å; K826-A916 PolarHBondContact NZ-O 2.97Å; K826-D918 PolarHBondContact N-OD2 3.23Å; K826-D918 WeakPolarHBondContact O-CB 3.21Å; K826-D918 PolarHBondContact O-N 2.89Å
827	I	98.9	Very high	98.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.7	176.1	-55.3	174.9	0	0	0	108.3	A815 L818 Q819 V824 I829 N849 V850 L851 F915 L921	A815-I827 HydrophobicContact CB-CD1 3.98Å; A815-I827 HydrophobicContact CB-CG2 4.25Å; A815-I827 WeakPolarHBondContact O-CD1 3.44Å; L818-I827 HydrophobicContact CB-CD1 3.78Å; L818-I827 HydrophobicContact CD1-CD1 4.1Å; Q819-I827 HydrophobicContact CG-CD1 3.94Å; V824-I827 HydrophobicContact CB-CD1 4.45Å; V824-I827 HydrophobicContact CB-CG1 4.31Å; V824-I827 HydrophobicContact CG1-CD1 4.37Å; V824-I827 HydrophobicContact CG1-CG1 3.74Å; I827-I829 HydrophobicContact CG2-CG1 4.24Å; I827-N849 PolarHBondContact N-O 2.69Å; I827-V850 HydrophobicContact CB-CG1 4.4Å; I827-V850 HydrophobicContact CB-CG2 4.11Å; I827-V850 HydrophobicContact CD1-CG2 4.41Å; I827-V850 CarbonylContact O-C 3.56Å; I827-V850 VanDerWaalsContact O-CA 3.3Å; I827-V850 WeakPolarHBondContact O-CA 3.47Å; I827-L851 PolarHBondContact O-N 3.42Å; I827-F915 WeakPolarHBondContact O-CE1 3.27Å; I827-L921 HydrophobicContact CG2-CD1 4.26Å; I827-L921 HydrophobicContact CG2-CG 4.25Å
828	L	98.9	Very high	98.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	129.5	166.4	169.4	64.8	0	0	0	108.2	V830 L851 M853 A912 F915 P917 V919 V920 L921 L956	L828-V830 HydrophobicContact CD1-CG2 4Å; L828-V830 HydrophobicContact CD2-CG2 3.88Å; L828-V830 HydrophobicContact CG-CG2 3.85Å; L828-L851 HydrophobicContact CD1-CB 4.24Å; L828-L851 HydrophobicContact CD1-CD2 3.81Å; L828-L851 HydrophobicContact CD1-CG 3.78Å; L828-M853 HydrophobicContact CD1-CG 3.86Å; L828-M853 HydrophobicContact CD1-SD 3.96Å; L828-A912 HydrophobicContact CD2-CB 3.73Å; L828-F915 HydrophobicContact CB-CE1 4.49Å; L828-P917 HydrophobicContact CB-CB 3.67Å; L828-P917 HydrophobicContact CB-CG 3.71Å; L828-P917 HydrophobicContact CD2-CG 4.14Å; L828-V919 PolarHBondContact N-O 2.95Å; L828-V920 HydrophobicContact CB-CG2 4.33Å; L828-V920 HydrophobicContact CD2-CG1 4.1Å; L828-V920 HydrophobicContact CD2-CG2 4.09Å; L828-V920 HydrophobicContact CG-CG1 4.26Å; L828-V920 CarbonylContact O-C 3.39Å; L828-V920 WeakPolarHBondContact O-CA 3.29Å; L828-L921 PolarHBondContact O-N 3.4Å; L828-L956 HydrophobicContact CD2-CD1 3.67Å
829	I	99	Very high	98.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115.5	166.1	-53.7	175.3	0	0	0	107.5	V811 A815 I827 T840 F844 V850 L851 Y852 M853 L921	V811-I829 HydrophobicContact CG1-CD1 4.34Å; V811-I829 HydrophobicContact CG1-CG1 4.47Å; V811-I829 HydrophobicContact CG1-CG2 3.8Å; A815-I829 HydrophobicContact CB-CD1 4.05Å; I827-I829 HydrophobicContact CG2-CG1 4.24Å; I829-T840 HydrophobicContact CD1-CG2 3.97Å; I829-T840 HydrophobicContact CG2-CG2 4.04Å; I829-F844 HydrophobicContact CD1-CD2 4.01Å; I829-F844 HydrophobicContact CD1-CE2 3.68Å; I829-F844 HydrophobicContact CD1-CZ 4.32Å; I829-V850 HydrophobicContact CD1-CG1 3.65Å; I829-V850 HydrophobicContact CG1-CG1 3.92Å; I829-L851 PolarHBondContact N-O 3.39Å; I829-Y852 HydrophobicContact CB-CD2 4.17Å; I829-Y852 HydrophobicContact CG2-CD2 4.06Å; I829-Y852 HydrophobicContact CG2-CE2 4.42Å; I829-M853 PolarHBondContact O-N 2.99Å; I829-L921 WeakPolarHBondContact CA-O 3.42Å; I829-L921 HydrophobicContact CG1-CB 4.37Å
830	V	98.9	Very high	98.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	128	168.6	-176.8	0	0	0	0	108.3	L828 W832 M853 L855 F904 V908 L921 V922 S923 L953	L828-V830 HydrophobicContact CD1-CG2 4Å; L828-V830 HydrophobicContact CD2-CG2 3.88Å; L828-V830 HydrophobicContact CG-CG2 3.85Å; V830-W832 HydrophobicContact CG1-CE3 4.48Å; V830-M853 CarbonylContact C-O 3.58Å; V830-M853 WeakPolarHBondContact CA-O 3.38Å; V830-L855 HydrophobicContact CG1-CD1 3.92Å; V830-F904 HydrophobicContact CG1-CZ 4.46Å; V830-V908 HydrophobicContact CG2-CG1 4.46Å; V830-L921 PolarHBondContact N-O 3.38Å; V830-V922 HydrophobicContact CB-CG2 4.5Å; V830-V922 CarbonylContact O-C 3.5Å; V830-V922 WeakPolarHBondContact O-CA 3.33Å; V830-V922 WeakPolarHBondContact O-CG1 3.47Å; V830-S923 PolarHBondContact O-N 3.28Å; V830-L953 HydrophobicContact CB-CD1 4.1Å; V830-L953 HydrophobicContact CG1-CD1 4.28Å; V830-L953 HydrophobicContact CG2-CD1 3.98Å; V830-L953 HydrophobicContact CG2-CD2 3.96Å
831	D	98.9	Very high	98.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	116.4	172.9	-165.1	-7.6	0	0	0	108.6	H795 D833 G837 Y852 M853 S854 L855 S923	H795-D831 IonicContact CE1-OD2 3.75Å; H795-D831 IonicContact CG-OD2 3.11Å; H795-D831 IonicContact ND1-OD1 2.73Å; H795-D831 IonicContact ND1-OD2 2.71Å; H795-D831 PolarHBondContact ND1-OD2 2.93Å; D831-D833 WeakPolarHBondContact OD1-CB 3.48Å; D831-D833 PolarHBondContact OD1-N 3.32Å; D831-G837 WeakPolarHBondContact OD2-CA 3.33Å; D831-G837 PolarHBondContact OD2-N 3.39Å; D831-Y852 HydrophobicContact CB-CE2 3.72Å; D831-Y852 PolarHBondContact OD2-OH 2.9Å; D831-M853 PolarHBondContact N-O 2.83Å; D831-S854 CarbonylContact O-C 3.53Å; D831-S854 WeakPolarHBondContact O-CA 3.36Å; D831-L855 PolarHBondContact O-N 2.9Å; D831-S923 VanDerWaalsContact CG-CB 3.49Å; D831-S923 WeakPolarHBondContact OD1-CB 3.24Å
832	W	98.9	Very high	98.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.			trans	-120.1	13.1	-179.1	68.2	35	0	0	0	113.1	V830 F904 V922 S923 S924 G925 F946 L949 T950 L953 L963	V830-W832 HydrophobicContact CG1-CE3 4.48Å; W832-F904 HydrophobicContact CE3-CZ 4.13Å; W832-F904 HydrophobicContact CZ3-CZ 4.43Å; W832-V922 HydrophobicContact CD2-CG1 3.73Å; W832-V922 HydrophobicContact CE3-CG1 3.9Å; W832-V922 HydrophobicContact CG-CG1 4.37Å; W832-V922 HydrophobicContact CH2-CG1 3.95Å; W832-V922 HydrophobicContact CZ2-CG1 3.8Å; W832-V922 HydrophobicContact CZ3-CG1 4.01Å; W832-S923 PolarHBondContact N-O 3.32Å; W832-S923 VanDerWaalsContact N-O 3.15Å; W832-S924 PolarHBondContact NE1-OG 3.49Å; W832-S924 VanDerWaalsContact NE1-OG 3.17Å; W832-G925 PolarHBondContact NE1-O 3.22Å; W832-F946 AromaticContact CD1-CD1 3.99Å; W832-F946 AromaticContact CD1-CE1 3.53Å; W832-F946 HydrophobicContact CD2-CD1 4.13Å; W832-F946 HydrophobicContact CD2-CE1 4.2Å; W832-F946 AromaticContact CE2-CD1 3.68Å; W832-F946 HydrophobicContact CG-CD1 4.32Å; W832-F946 AromaticContact CG-CE1 3.9Å; W832-F946 HydrophobicContact CG-CE1 3.9Å; W832-F946 HydrophobicContact CZ2-CD1 4.09Å; W832-F946 AromaticContact NE1-CD1 3.56Å; W832-F946 AromaticContact NE1-CE1 3.58Å; W832-L949 HydrophobicContact CE3-CB 4.12Å; W832-L949 HydrophobicContact CE3-CD1 4.31Å; W832-L949 HydrophobicContact CH2-CB 4.34Å; W832-L949 HydrophobicContact CZ3-CB 3.68Å; W832-T950 WeakPolarHBondContact CH2-OG1 3.37Å; W832-L953 HydrophobicContact CE3-CD1 4.27Å; W832-L953 HydrophobicContact CH2-CD1 4.47Å; W832-L953 HydrophobicContact CZ3-CD1 3.66Å; W832-L963 HydrophobicContact CH2-CD2 4.1Å; W832-L963 HydrophobicContact CH2-CG 4.42Å; W832-L963 HydrophobicContact CZ2-CD2 3.84Å; W832-L963 HydrophobicContact CZ2-CG 4.22Å
833	D	98.8	Very high	98.6	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.114	C	C	.	.	S	Bend	trans	-56.3	149	159.9	-162.7	-74.4	0	0	0	109.7	H795 D831 H835 G925 G967	H795-D833 VanDerWaalsContact CE1-CB 3.44Å; H795-D833 WeakPolarHBondContact CE1-CB 3.2Å; H795-D833 IonicContact CE1-OD1 3.03Å; H795-D833 IonicContact CE1-OD2 2.72Å; H795-D833 IonicContact NE2-OD1 3.48Å; H795-D833 IonicContact NE2-OD2 3.94Å; D831-D833 WeakPolarHBondContact OD1-CB 3.48Å; D831-D833 PolarHBondContact OD1-N 3.32Å; D833-H835 PolarHBondContact O-N 2.76Å; D833-H835 WeakPolarHBondContact OD1-CB 3.38Å; D833-H835 IonicContact OD1-CE1 3.03Å; D833-H835 IonicContact OD1-CG 3.35Å; D833-H835 PolarHBondContact OD1-N 2.85Å; D833-H835 IonicContact OD1-ND1 2.63Å; D833-H835 PolarHBondContact OD1-ND1 2.99Å; D833-G925 WeakPolarHBondContact OD2-CA 3.38Å; D833-G967 WeakPolarHBondContact OD2-CA 3.36Å; D833-G967 PolarHBondContact OD2-N 3.13Å
834	V	98.7	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-71	-15.6	-178.8	80.2	0	0	0	0	112.1	H856 R857 F863 D927 A928 Y939	V834-H856 WeakPolarHBondContact O-CA 3.46Å; V834-H856 WeakPolarHBondContact O-CB 3.33Å; V834-R857 HydrophobicContact CG2-CB 3.99Å; V834-R857 PolarHBondContact O-N 3.26Å; V834-F863 HydrophobicContact CG1-CE1 4.21Å; V834-F863 HydrophobicContact CG1-CZ 4.36Å; V834-D927 HydrophobicContact CB-CB 4.4Å; V834-D927 HydrophobicContact CG1-CB 3.71Å; V834-D927 WeakPolarHBondContact CG1-OD1 3.47Å; V834-D927 PolarHBondContact N-OD1 3.01Å; V834-A928 HydrophobicContact CB-CB 4.02Å; V834-A928 HydrophobicContact CG2-CB 4.05Å; V834-Y939 HydrophobicContact CG2-CD2 3.74Å; V834-Y939 HydrophobicContact CG2-CE2 4.05Å; V834-Y939 HydrophobicContact CG2-CG 4.26Å
835	H	98.8	Very high	98.7	Very high	15 Å²	15	16.7 Å²	16.7	7%	0.069	9%	0.086	C	C	.	.	S	Bend	trans	-100.8	147.7	176.8	-44	89.9	0	0	0	111.1	H796 D833 G837 F863 F864 D927	H796-H835 VanDerWaalsContact CE1-CB 3.49Å; H796-H835 WeakPolarHBondContact CE1-CB 3.41Å; D833-H835 PolarHBondContact O-N 2.76Å; D833-H835 WeakPolarHBondContact OD1-CB 3.38Å; D833-H835 IonicContact OD1-CE1 3.03Å; D833-H835 IonicContact OD1-CG 3.35Å; D833-H835 PolarHBondContact OD1-N 2.85Å; D833-H835 IonicContact OD1-ND1 2.63Å; D833-H835 PolarHBondContact OD1-ND1 2.99Å; H835-G837 PolarHBondContact O-N 2.81Å; H835-F863 AromaticContact CD2-CE1 3.32Å; H835-F863 WeakPolarHBondContact CD2-CE1 3.23Å; H835-F863 AromaticContact CD2-CZ 3.7Å; H835-F863 AromaticContact NE2-CE1 3.73Å; H835-F863 AromaticContact NE2-CZ 3.62Å; H835-F864 AromaticContact CD2-CD1 3.97Å; H835-D927 IonicContact CE1-OD2 3.91Å; H835-D927 PolarHBondContact CE1-OD2 3.36Å; H835-D927 IonicContact ND1-OD2 3.88Å
836	H	98.8	Very high	98.8	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.086	C	C	.	.			trans	-70.7	122.6	177.1	173.4	-126.8	0	0	0	112.1	H796 N838 Q841 Y852 H856 P865 S867 G868	H796-H836 PolarHBondContact CE1-O 3.41Å; H796-H836 PolarHBondContact ND1-O 2.9Å; H796-H836 VanDerWaalsContact ND1-O 3.12Å; H836-N838 PolarHBondContact O-N 2.91Å; H836-N838 PolarHBondContact O-OD1 2.95Å; H836-Q841 VanDerWaalsContact CE1-CD 3.49Å; H836-Q841 PolarHBondContact CE1-OE1 3.46Å; H836-Q841 PolarHBondContact NE2-OE1 3.37Å; H836-Y852 AromaticContact NE2-CE1 3.74Å; H836-H856 HydrophobicContact CB-CB 4.27Å; H836-H856 AromaticContact CD2-CE1 3.77Å; H836-H856 AromaticContact CD2-ND1 3.77Å; H836-H856 AromaticContact CG-CE1 3.93Å; H836-H856 AromaticContact CG-ND1 4Å; H836-P865 HydrophobicContact CB-CG 4.16Å; H836-P865 WeakPolarHBondContact O-CG 3.14Å; H836-S867 VanDerWaalsContact ND1-C 3.35Å; H836-S867 PolarHBondContact ND1-O 3.12Å; H836-S867 PolarHBondContact ND1-OG 3.09Å; H836-G868 WeakPolarHBondContact ND1-CA 3.38Å; H836-G868 PolarHBondContact ND1-N 3.24Å
837	G	98.8	Very high	98.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.077	C	C	.	.			trans	-70.3	67.1	172.8	0	0	0	0	0	114.4	H795 D831 H835 G839 T840 Q841 Y852	H795-G837 WeakPolarHBondContact ND1-CA 3.44Å; H795-G837 CarbonylContact O-C 3.57Å; D831-G837 WeakPolarHBondContact OD2-CA 3.33Å; D831-G837 PolarHBondContact OD2-N 3.39Å; H835-G837 PolarHBondContact O-N 2.81Å; G837-G839 VanDerWaalsContact C-N 3.25Å; G837-G839 PolarHBondContact O-N 3.43Å; G837-T840 WeakPolarHBondContact O-CA 3.48Å; G837-T840 WeakPolarHBondContact O-CB 3.19Å; G837-T840 PolarHBondContact O-N 2.96Å; G837-Q841 PolarHBondContact O-N 3.3Å; G837-Y852 VanDerWaalsContact CA-OH 3.25Å; G837-Y852 WeakPolarHBondContact CA-OH 3.5Å; G837-Y852 PolarHBondContact N-OH 3.04Å; G837-Y852 PolarHBondContact O-OH 3.4Å
838	N	98.8	Very high	98.8	Very high	7 Å²	7	17.1 Å²	17.1	4%	0.037	9%	0.088	C	C	.	.	H	α-helix	trans	-52.1	-36.8	-178	60	-69.4	0	0	0	114.2	H796 E798 H836 Q842 P865	H796-N838 WeakPolarHBondContact CA-OD1 3.2Å; H796-N838 PolarHBondContact ND1-OD1 2.9Å; H796-N838 PolarHBondContact O-ND2 3.05Å; E798-N838 WeakPolarHBondContact CG-ND2 3.32Å; E798-N838 PolarHBondContact OE1-ND2 3.37Å; H836-N838 PolarHBondContact O-N 2.91Å; H836-N838 PolarHBondContact O-OD1 2.95Å; N838-Q842 WeakPolarHBondContact O-CB 3.42Å; N838-Q842 PolarHBondContact O-N 3.05Å; N838-P865 HydrophobicContact CB-CG 4.27Å
839	G	98.7	Very high	98.8	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-69.5	-34.8	175.8	0	0	0	0	0	112.9	H795 A797 G837 A843	H795-G839 WeakPolarHBondContact O-CA 3.44Å; H795-G839 PolarHBondContact O-N 3.2Å; A797-G839 WeakPolarHBondContact O-CA 3.41Å; G837-G839 VanDerWaalsContact C-N 3.25Å; G837-G839 PolarHBondContact O-N 3.43Å; G839-A843 WeakPolarHBondContact O-CB 3.38Å; G839-A843 PolarHBondContact O-N 3.49Å; G839-A843 VanDerWaalsContact O-N 3.09Å
840	T	98.9	Very high	98.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-70.7	-44.1	175.3	-50.7	0	0	0	0	110.9	H795 N809 I829 G837 A843 F844 Y852	H795-T840 PolarHBondContact O-N 3.09Å; N809-T840 WeakPolarHBondContact ND2-CA 3.44Å; N809-T840 PolarHBondContact ND2-N 3.03Å; N809-T840 VanDerWaalsContact ND2-N 3.13Å; N809-T840 PolarHBondContact ND2-OG1 3.33Å; I829-T840 HydrophobicContact CD1-CG2 3.97Å; I829-T840 HydrophobicContact CG2-CG2 4.04Å; G837-T840 WeakPolarHBondContact O-CA 3.48Å; G837-T840 WeakPolarHBondContact O-CB 3.19Å; G837-T840 PolarHBondContact O-N 2.96Å; T840-A843 PolarHBondContact O-N 3.3Å; T840-F844 WeakPolarHBondContact O-CD2 3.34Å; T840-Y852 HydrophobicContact CG2-CD2 3.49Å; T840-Y852 VanDerWaalsContact CG2-CD2 3.49Å; T840-Y852 HydrophobicContact CG2-CE2 3.45Å; T840-Y852 VanDerWaalsContact CG2-CE2 3.45Å; T840-Y852 HydrophobicContact CG2-CG 4.46Å
841	Q	98.8	Very high	98.8	Very high	17 Å²	17	20.8 Å²	20.8	8%	0.079	11%	0.108	C	C	.	.	H	α-helix	trans	-54.6	-53.4	171.5	173.6	169.3	-78.3	0	0	110.8	H836 G837 A843 F844 Y845 Y852 E872 N882 N884	H836-Q841 VanDerWaalsContact CE1-CD 3.49Å; H836-Q841 PolarHBondContact CE1-OE1 3.46Å; H836-Q841 PolarHBondContact NE2-OE1 3.37Å; G837-Q841 PolarHBondContact O-N 3.3Å; Q841-A843 VanDerWaalsContact C-N 3.3Å; Q841-A843 PolarHBondContact O-N 3.01Å; Q841-F844 PolarHBondContact O-N 2.92Å; Q841-Y845 HydrophobicContact CG-CD2 3.55Å; Q841-Y845 HydrophobicContact CG-CE2 3.89Å; Q841-Y845 HydrophobicContact CG-CG 4.47Å; Q841-Y845 WeakPolarHBondContact O-CA 3.41Å; Q841-Y845 WeakPolarHBondContact O-CB 3.41Å; Q841-Y845 PolarHBondContact O-N 2.86Å; Q841-Y852 HydrophobicContact CB-CD1 4.15Å; Q841-Y852 HydrophobicContact CB-CE1 3.9Å; Q841-E872 PolarHBondContact NE2-OE2 3.25Å; Q841-N882 WeakPolarHBondContact CG-OD1 3.47Å; Q841-N882 PolarHBondContact OE1-ND2 3.32Å; Q841-N884 PolarHBondContact OE1-ND2 3.43Å
842	Q	98.7	Very high	98.8	Very high	81 Å²	81	20.8 Å²	20.8	38%	0.379	11%	0.108	S	C	.	.	H	α-helix	trans	-55.5	-42.6	-179.9	-176.4	-177.3	92	0	0	112.5	E798 N838 F844	E798-Q842 VanDerWaalsContact CB-OE1 3.27Å; E798-Q842 PolarHBondContact OE2-NE2 3.3Å; N838-Q842 WeakPolarHBondContact O-CB 3.42Å; N838-Q842 PolarHBondContact O-N 3.05Å; Q842-F844 PolarHBondContact O-N 3.38Å
843	A	98.8	Very high	98.8	Very high	18 Å²	18	21 Å²	21	15%	0.149	11%	0.109	C	C	.	.	H	α-helix	trans	-65.7	-20	-177	0	0	0	0	0	114.8	V712 A812 K816 G839 T840 Q841	V712-A843 HydrophobicContact CG1-CB 4.09Å; A812-A843 HydrophobicContact CB-CB 3.93Å; K816-A843 WeakPolarHBondContact CE-O 3.42Å; K816-A843 PolarHBondContact NZ-O 2.93Å; G839-A843 WeakPolarHBondContact O-CB 3.38Å; G839-A843 PolarHBondContact O-N 3.49Å; G839-A843 VanDerWaalsContact O-N 3.09Å; T840-A843 PolarHBondContact O-N 3.3Å; Q841-A843 VanDerWaalsContact C-N 3.3Å; Q841-A843 PolarHBondContact O-N 3.01Å
844	F	98.8	Very high	98.8	Very high	6 Å²	6	20.9 Å²	20.9	3%	0.026	11%	0.108	C	C	.	.	H	α-helix	trans	-129.9	7.7	-177.3	-58.1	-77.8	0	0	0	114.6	A812 A815 K816 I829 T840 Q841 Q842 N846 D847 V850	A812-F844 HydrophobicContact CB-CE2 3.65Å; A812-F844 HydrophobicContact CB-CZ 4.19Å; A815-F844 HydrophobicContact CB-CE1 4.23Å; A815-F844 HydrophobicContact CB-CE2 4.31Å; A815-F844 HydrophobicContact CB-CZ 3.6Å; K816-F844 HydrophobicContact CD-CE1 3.64Å; K816-F844 HydrophobicContact CD-CZ 4.03Å; K816-F844 HydrophobicContact CG-CE1 4.09Å; K816-F844 HydrophobicContact CG-CZ 3.96Å; K816-F844 VanDerWaalsContact NZ-CD1 3.32Å; K816-F844 VanDerWaalsContact NZ-CE1 3.28Å; I829-F844 HydrophobicContact CD1-CD2 4.01Å; I829-F844 HydrophobicContact CD1-CE2 3.68Å; I829-F844 HydrophobicContact CD1-CZ 4.32Å; T840-F844 WeakPolarHBondContact O-CD2 3.34Å; Q841-F844 PolarHBondContact O-N 2.92Å; Q842-F844 PolarHBondContact O-N 3.38Å; F844-N846 PolarHBondContact O-N 3.39Å; F844-D847 HydrophobicContact CB-CB 4.5Å; F844-D847 HydrophobicContact CD1-CB 4.41Å; F844-D847 PolarHBondContact O-N 3.47Å; F844-V850 HydrophobicContact CB-CB 4.09Å; F844-V850 HydrophobicContact CB-CG1 4.18Å; F844-V850 HydrophobicContact CD1-CB 3.44Å; F844-V850 VanDerWaalsContact CD1-CB 3.44Å; F844-V850 HydrophobicContact CD1-CG1 3.72Å; F844-V850 HydrophobicContact CD1-CG2 3.41Å; F844-V850 VanDerWaalsContact CD1-CG2 3.41Å; F844-V850 HydrophobicContact CD2-CG1 3.99Å; F844-V850 HydrophobicContact CE1-CB 4.02Å; F844-V850 HydrophobicContact CE1-CG1 4.09Å; F844-V850 HydrophobicContact CE1-CG2 3.53Å; F844-V850 HydrophobicContact CE2-CG1 4.36Å; F844-V850 HydrophobicContact CG-CB 3.78Å; F844-V850 HydrophobicContact CG-CG1 3.68Å; F844-V850 HydrophobicContact CG-CG2 4.24Å; F844-V850 HydrophobicContact CZ-CG1 4.42Å; F844-V850 HydrophobicContact CZ-CG2 4.46Å
845	Y	98.8	Very high	98.8	Very high	58 Å²	58	20.9 Å²	20.9	23%	0.227	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-8.1	-173.2	-152.3	-122	0	0	0	115.6	Q841 E872 G874 T875 N882	Q841-Y845 HydrophobicContact CG-CD2 3.55Å; Q841-Y845 HydrophobicContact CG-CE2 3.89Å; Q841-Y845 HydrophobicContact CG-CG 4.47Å; Q841-Y845 WeakPolarHBondContact O-CA 3.41Å; Q841-Y845 WeakPolarHBondContact O-CB 3.41Å; Q841-Y845 PolarHBondContact O-N 2.86Å; Y845-E872 HydrophobicContact CE2-CB 4.33Å; Y845-E872 WeakPolarHBondContact OH-CA 3.44Å; Y845-E872 WeakPolarHBondContact OH-CB 3.42Å; Y845-G874 VanDerWaalsContact CE2-CA 3.49Å; Y845-G874 CarbonylContact O-C 3.47Å; Y845-G874 WeakPolarHBondContact O-CA 3.4Å; Y845-G874 PolarHBondContact OH-N 3.04Å; Y845-T875 HydrophobicContact CD1-CG2 3.75Å; Y845-T875 HydrophobicContact CE1-CG2 3.55Å; Y845-T875 PolarHBondContact O-N 2.66Å; Y845-T875 PolarHBondContact O-OG1 3.37Å; Y845-N882 HydrophobicContact CD2-CB 4.18Å; Y845-N882 HydrophobicContact CE2-CB 4.15Å
846	N	98.6	Very high	98.8	Very high	98 Å²	98	20.2 Å²	20.2	52%	0.524	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	13.7	176.1	65.5	4.9	0	0	0	114.2	F844 T875 P877	F844-N846 PolarHBondContact O-N 3.39Å; N846-T875 WeakPolarHBondContact CA-O 3.35Å; N846-P877 WeakPolarHBondContact O-CG 3.1Å
847	D	98.6	Very high	98.8	Very high	20 Å²	20	21.4 Å²	21.4	11%	0.107	11%	0.11	C	C	.	.			trans	-119.2	98.5	-170.6	-174.9	2.2	0	0	0	112.4	K816 Q819 F844 N849 V850	K816-D847 IonicContact NZ-OD2 3.01Å; Q819-D847 PolarHBondContact NE2-OD2 3.12Å; F844-D847 HydrophobicContact CB-CB 4.5Å; F844-D847 HydrophobicContact CD1-CB 4.41Å; F844-D847 PolarHBondContact O-N 3.47Å; D847-N849 PolarHBondContact O-N 3.37Å; D847-N849 VanDerWaalsContact OD1-CB 3.3Å; D847-N849 WeakPolarHBondContact OD1-CB 3.34Å; D847-N849 PolarHBondContact OD1-N 3.34Å; D847-N849 VanDerWaalsContact OD1-N 3.1Å; D847-N849 PolarHBondContact OD1-ND2 3.04Å; D847-V850 PolarHBondContact O-N 3.27Å; D847-V850 VanDerWaalsContact O-N 3.12Å
848	P	98.6	Very high	98.8	Very high	36 Å²	36	22.9 Å²	22.9	23%	0.234	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-5.9	-179.3	29.4	-36	0	0	0	114.3	V850 P877 F881	P848-V850 VanDerWaalsContact C-N 3.3Å; P848-P877 WeakPolarHBondContact CB-O 3.48Å; P848-P877 HydrophobicContact CG-CB 4.21Å; P848-P877 WeakPolarHBondContact CG-O 3.48Å; P848-F881 HydrophobicContact CB-CD1 4.19Å; P848-F881 HydrophobicContact CB-CD2 3.66Å; P848-F881 HydrophobicContact CB-CE1 4.11Å; P848-F881 HydrophobicContact CB-CE2 3.58Å; P848-F881 HydrophobicContact CB-CG 3.98Å; P848-F881 HydrophobicContact CB-CZ 3.81Å; P848-F881 WeakPolarHBondContact O-CD1 3.4Å; P848-F881 WeakPolarHBondContact O-CE1 3.39Å
849	N	98.6	Very high	98.8	Very high	76 Å²	76	23.5 Å²	23.5	41%	0.406	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-10.4	176.2	-49.9	-81.2	0	0	0	111.8	S825 K826 I827 D847	S825-N849 WeakPolarHBondContact O-CB 3.49Å; K826-N849 WeakPolarHBondContact CA-O 3.31Å; I827-N849 PolarHBondContact N-O 2.69Å; D847-N849 PolarHBondContact O-N 3.37Å; D847-N849 VanDerWaalsContact OD1-CB 3.3Å; D847-N849 WeakPolarHBondContact OD1-CB 3.34Å; D847-N849 PolarHBondContact OD1-N 3.34Å; D847-N849 VanDerWaalsContact OD1-N 3.1Å; D847-N849 PolarHBondContact OD1-ND2 3.04Å
850	V	98.9	Very high	98.7	Very high	1 Å²	1	28 Å²	28	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	110.7	173.5	-175.9	0	0	0	0	110.2	I827 I829 F844 D847 P848	I827-V850 HydrophobicContact CB-CG1 4.4Å; I827-V850 HydrophobicContact CB-CG2 4.11Å; I827-V850 HydrophobicContact CD1-CG2 4.41Å; I827-V850 CarbonylContact O-C 3.56Å; I827-V850 VanDerWaalsContact O-CA 3.3Å; I827-V850 WeakPolarHBondContact O-CA 3.47Å; I829-V850 HydrophobicContact CD1-CG1 3.65Å; I829-V850 HydrophobicContact CG1-CG1 3.92Å; F844-V850 HydrophobicContact CB-CB 4.09Å; F844-V850 HydrophobicContact CB-CG1 4.18Å; F844-V850 HydrophobicContact CD1-CB 3.44Å; F844-V850 VanDerWaalsContact CD1-CB 3.44Å; F844-V850 HydrophobicContact CD1-CG1 3.72Å; F844-V850 HydrophobicContact CD1-CG2 3.41Å; F844-V850 VanDerWaalsContact CD1-CG2 3.41Å; F844-V850 HydrophobicContact CD2-CG1 3.99Å; F844-V850 HydrophobicContact CE1-CB 4.02Å; F844-V850 HydrophobicContact CE1-CG1 4.09Å; F844-V850 HydrophobicContact CE1-CG2 3.53Å; F844-V850 HydrophobicContact CE2-CG1 4.36Å; F844-V850 HydrophobicContact CG-CB 3.78Å; F844-V850 HydrophobicContact CG-CG1 3.68Å; F844-V850 HydrophobicContact CG-CG2 4.24Å; F844-V850 HydrophobicContact CZ-CG1 4.42Å; F844-V850 HydrophobicContact CZ-CG2 4.46Å; D847-V850 PolarHBondContact O-N 3.27Å; D847-V850 VanDerWaalsContact O-N 3.12Å; P848-V850 VanDerWaalsContact C-N 3.3Å
851	L	98.9	Very high	98.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116.9	171	170	59.4	0	0	0	108.7	I827 L828 I829 M853 F881 V883 I911 F915 W1021	I827-L851 PolarHBondContact O-N 3.42Å; L828-L851 HydrophobicContact CD1-CB 4.24Å; L828-L851 HydrophobicContact CD1-CD2 3.81Å; L828-L851 HydrophobicContact CD1-CG 3.78Å; I829-L851 PolarHBondContact N-O 3.39Å; L851-M853 HydrophobicContact CD1-CG 3.9Å; L851-M853 HydrophobicContact CD1-SD 4.48Å; L851-M853 HydrophobicContact CD2-CG 4.23Å; L851-M853 HydrophobicContact CD2-SD 3.99Å; L851-M853 HydrophobicContact CG-CG 3.82Å; L851-M853 HydrophobicContact CG-SD 4.26Å; L851-F881 WeakPolarHBondContact CA-O 3.32Å; L851-F881 WeakPolarHBondContact CD1-O 3.41Å; L851-V883 HydrophobicContact CD1-CG2 3.85Å; L851-I911 HydrophobicContact CD1-CG2 4.37Å; L851-I911 HydrophobicContact CD2-CG2 3.86Å; L851-F915 HydrophobicContact CB-CD1 3.68Å; L851-F915 HydrophobicContact CB-CD2 4.12Å; L851-F915 HydrophobicContact CB-CE1 3.53Å; L851-F915 HydrophobicContact CB-CE2 3.98Å; L851-F915 HydrophobicContact CB-CG 3.97Å; L851-F915 HydrophobicContact CB-CZ 3.68Å; L851-F915 HydrophobicContact CD2-CB 3.57Å; L851-F915 HydrophobicContact CD2-CD1 3.66Å; L851-F915 HydrophobicContact CD2-CD2 4.29Å; L851-F915 HydrophobicContact CD2-CE1 4.4Å; L851-F915 HydrophobicContact CD2-CG 3.59Å; L851-F915 HydrophobicContact CG-CD1 4.33Å; L851-F915 HydrophobicContact CG-CG 4.43Å; L851-W1021 HydrophobicContact CD1-CZ2 4.22Å; L851-W1021 HydrophobicContact CD2-CH2 4.46Å
852	Y	99	Very high	98.6	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.3	170	178.6	-110.4	0	0	0	110.1	I829 D831 H836 G837 T840 Q841 F881 N882 V883	I829-Y852 HydrophobicContact CB-CD2 4.17Å; I829-Y852 HydrophobicContact CG2-CD2 4.06Å; I829-Y852 HydrophobicContact CG2-CE2 4.42Å; D831-Y852 HydrophobicContact CB-CE2 3.72Å; D831-Y852 PolarHBondContact OD2-OH 2.9Å; H836-Y852 AromaticContact NE2-CE1 3.74Å; G837-Y852 VanDerWaalsContact CA-OH 3.25Å; G837-Y852 WeakPolarHBondContact CA-OH 3.5Å; G837-Y852 PolarHBondContact N-OH 3.04Å; G837-Y852 PolarHBondContact O-OH 3.4Å; T840-Y852 HydrophobicContact CG2-CD2 3.49Å; T840-Y852 VanDerWaalsContact CG2-CD2 3.49Å; T840-Y852 HydrophobicContact CG2-CE2 3.45Å; T840-Y852 VanDerWaalsContact CG2-CE2 3.45Å; T840-Y852 HydrophobicContact CG2-CG 4.46Å; Q841-Y852 HydrophobicContact CB-CD1 4.15Å; Q841-Y852 HydrophobicContact CB-CE1 3.9Å; Y852-F881 PolarHBondContact N-O 2.88Å; Y852-N882 VanDerWaalsContact CD1-OD1 3.28Å; Y852-N882 WeakPolarHBondContact CD1-OD1 3.34Å; Y852-V883 PolarHBondContact O-N 3.01Å
853	M	99	Very high	98.5	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	114.3	177.4	-53.6	-164.2	78.5	0	0	110.4	L828 I829 V830 D831 L851 V883 V907 V908 I911 A912	L828-M853 HydrophobicContact CD1-CG 3.86Å; L828-M853 HydrophobicContact CD1-SD 3.96Å; I829-M853 PolarHBondContact O-N 2.99Å; V830-M853 CarbonylContact C-O 3.58Å; V830-M853 WeakPolarHBondContact CA-O 3.38Å; D831-M853 PolarHBondContact N-O 2.83Å; L851-M853 HydrophobicContact CD1-CG 3.9Å; L851-M853 HydrophobicContact CD1-SD 4.48Å; L851-M853 HydrophobicContact CD2-CG 4.23Å; L851-M853 HydrophobicContact CD2-SD 3.99Å; L851-M853 HydrophobicContact CG-CG 3.82Å; L851-M853 HydrophobicContact CG-SD 4.26Å; M853-V883 WeakPolarHBondContact CA-O 3.39Å; M853-V883 HydrophobicContact CE-CB 3.81Å; M853-V883 HydrophobicContact CE-CG1 3.72Å; M853-V883 HydrophobicContact CE-CG2 4.07Å; M853-V883 HydrophobicContact CG-CB 4.2Å; M853-V907 HydrophobicContact CE-CG1 4.38Å; M853-V908 HydrophobicContact SD-CG1 4.1Å; M853-I911 HydrophobicContact CE-CB 3.79Å; M853-I911 HydrophobicContact CE-CD1 3.85Å; M853-I911 HydrophobicContact CE-CG1 4.4Å; M853-I911 HydrophobicContact CE-CG2 3.85Å; M853-I911 HydrophobicContact SD-CB 4.43Å; M853-I911 HydrophobicContact SD-CG2 4.21Å; M853-A912 HydrophobicContact SD-CB 4.49Å
854	S	98.9	Very high	98.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134	-177.6	-172.3	0	0	0	0	112.2	D831 H856 V883 M885	D831-S854 CarbonylContact O-C 3.53Å; D831-S854 WeakPolarHBondContact O-CA 3.36Å; S854-H856 WeakPolarHBondContact CB-ND1 3.39Å; S854-H856 PolarHBondContact OG-ND1 3.36Å; S854-V883 PolarHBondContact N-O 3.06Å; S854-M885 WeakPolarHBondContact O-CA 3.26Å; S854-M885 VanDerWaalsContact O-CB 3.3Å; S854-M885 WeakPolarHBondContact O-CB 3.42Å; S854-M885 PolarHBondContact O-N 3.4Å
855	L	98.9	Very high	98.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.			trans	-115.2	74.4	177.3	-64.1	97.5	0	0	0	111.4	V830 D831 M885 Y900 A903 F904 V908	V830-L855 HydrophobicContact CG1-CD1 3.92Å; D831-L855 PolarHBondContact O-N 2.9Å; L855-M885 HydrophobicContact CD2-CG 4.22Å; L855-M885 HydrophobicContact CG-CB 4.09Å; L855-M885 HydrophobicContact CG-CG 4.21Å; L855-Y900 HydrophobicContact CB-CD1 4.4Å; L855-Y900 HydrophobicContact CB-CE1 3.78Å; L855-Y900 HydrophobicContact CD2-CD1 4.05Å; L855-Y900 HydrophobicContact CD2-CE1 4.26Å; L855-Y900 PolarHBondContact O-OH 3.28Å; L855-A903 HydrophobicContact CD2-CB 4.17Å; L855-F904 HydrophobicContact CD1-CE2 3.98Å; L855-F904 HydrophobicContact CD2-CD2 3.82Å; L855-F904 HydrophobicContact CD2-CE2 3.7Å; L855-V908 HydrophobicContact CD1-CG2 3.93Å; L855-V908 HydrophobicContact CD2-CG2 3.87Å; L855-V908 HydrophobicContact CG-CG2 4.19Å
856	H	98.9	Very high	98.3	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.166	C	C	.	.			trans	-115.1	161.1	-170.7	59.8	-97.9	0	0	0	113	V834 H836 S854 G868 A886 F887	V834-H856 WeakPolarHBondContact O-CA 3.46Å; V834-H856 WeakPolarHBondContact O-CB 3.33Å; H836-H856 HydrophobicContact CB-CB 4.27Å; H836-H856 AromaticContact CD2-CE1 3.77Å; H836-H856 AromaticContact CD2-ND1 3.77Å; H836-H856 AromaticContact CG-CE1 3.93Å; H836-H856 AromaticContact CG-ND1 4Å; S854-H856 WeakPolarHBondContact CB-ND1 3.39Å; S854-H856 PolarHBondContact OG-ND1 3.36Å; H856-G868 PolarHBondContact CE1-O 3.5Å; H856-G868 VanDerWaalsContact CE1-O 3.3Å; H856-G868 PolarHBondContact NE2-O 2.89Å; H856-G868 VanDerWaalsContact NE2-O 3.07Å; H856-A886 WeakPolarHBondContact NE2-CB 3.32Å; H856-F887 PolarHBondContact O-N 3.37Å
857	R	98.7	Very high	98.3	Very high	26 Å²	26	27.9 Å²	27.9	10%	0.098	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-76.7	121.1	167.6	-179.9	173.1	175	-146.9	-19.3	109.1	V834 D859 F863 T934 G937 Y939	V834-R857 HydrophobicContact CG2-CB 3.99Å; V834-R857 PolarHBondContact O-N 3.26Å; R857-D859 IonicContact CZ-OD2 3.83Å; R857-D859 IonicContact NE-OD2 2.84Å; R857-D859 PolarHBondContact NE-OD2 2.9Å; R857-D859 IonicContact NH2-OD2 2.92Å; R857-D859 PolarHBondContact NH2-OD2 3.31Å; R857-F863 HydrophobicContact CB-CD1 3.74Å; R857-F863 HydrophobicContact CB-CE1 4.05Å; R857-F863 HydrophobicContact CB-CG 4.25Å; R857-F863 HydrophobicContact CG-CB 4.11Å; R857-F863 HydrophobicContact CG-CD1 3.88Å; R857-F863 HydrophobicContact CG-CD2 4.38Å; R857-F863 HydrophobicContact CG-CE1 4.4Å; R857-F863 HydrophobicContact CG-CG 3.85Å; R857-F863 VanDerWaalsContact O-CD1 3.29Å; R857-F863 WeakPolarHBondContact O-CD1 3.4Å; R857-T934 PolarHBondContact NH1-O 3.46Å; R857-G937 WeakPolarHBondContact CD-O 3.47Å; R857-G937 PolarHBondContact NH1-O 2.99Å; R857-Y939 WeakPolarHBondContact CA-OH 3.36Å; R857-Y939 HydrophobicContact CB-CE1 4.27Å; R857-Y939 HydrophobicContact CB-CE2 3.94Å; R857-Y939 WeakPolarHBondContact CB-OH 3.03Å; R857-Y939 HydrophobicContact CG-CE1 4.08Å; R857-Y939 WeakPolarHBondContact CG-OH 3.32Å
858	Y	98.7	Very high	98.3	Very high	31 Å²	31	27 Å²	27	12%	0.122	15%	0.146	C	C	.	.			trans	-111.4	-43.5	-175.8	-178.9	-119.8	0	0	0	112.6	D860 G861 N862 F863 A869 A886 F887	Y858-D860 VanDerWaalsContact CE1-CA 3.48Å; Y858-D860 PolarHBondContact O-N 2.95Å; Y858-G861 PolarHBondContact O-N 2.95Å; Y858-N862 PolarHBondContact O-N 3.47Å; Y858-F863 PolarHBondContact O-N 3.03Å; Y858-A869 HydrophobicContact CE1-CB 4.22Å; Y858-A869 HydrophobicContact CE2-CB 4.31Å; Y858-A869 WeakPolarHBondContact OH-CB 3.49Å; Y858-A886 HydrophobicContact CD1-CB 4.04Å; Y858-A886 HydrophobicContact CG-CB 3.88Å; Y858-F887 PolarHBondContact N-O 3.24Å
859	D	98.1	Very high	98.3	Very high	20 Å²	20	25.6 Å²	25.6	11%	0.107	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	46.4	46.3	-179	-69	-18.6	0	0	0	113.1	R857 G861 N862 F887 G889 G890	R857-D859 IonicContact CZ-OD2 3.83Å; R857-D859 IonicContact NE-OD2 2.84Å; R857-D859 PolarHBondContact NE-OD2 2.9Å; R857-D859 IonicContact NH2-OD2 2.92Å; R857-D859 PolarHBondContact NH2-OD2 3.31Å; D859-G861 VanDerWaalsContact C-N 3.28Å; D859-G861 PolarHBondContact O-N 2.98Å; D859-N862 HydrophobicContact CB-CB 4.45Å; D859-N862 WeakPolarHBondContact O-CB 3.45Å; D859-N862 PolarHBondContact O-N 3.42Å; D859-N862 VanDerWaalsContact O-N 3.16Å; D859-N862 PolarHBondContact O-ND2 2.93Å; D859-F887 PolarHBondContact N-O 3.29Å; D859-F887 VanDerWaalsContact N-O 3.15Å; D859-G889 PolarHBondContact OD1-N 3.48Å; D859-G890 VanDerWaalsContact OD1-CA 3.25Å; D859-G890 WeakPolarHBondContact OD1-CA 3.1Å; D859-G890 PolarHBondContact OD1-N 3.41Å
860	D	97.7	Very high	98.3	Very high	94 Å²	94	22 Å²	22	50%	0.503	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	50.3	42.8	-175	-63.1	-30	0	0	0	114	Y858 N862 T888	Y858-D860 VanDerWaalsContact CE1-CA 3.48Å; Y858-D860 PolarHBondContact O-N 2.95Å; D860-N862 PolarHBondContact O-ND2 3.5Å; D860-N862 VanDerWaalsContact O-ND2 3.17Å; D860-T888 VanDerWaalsContact CG-CG2 3.48Å; D860-T888 PolarHBondContact N-OG1 3.28Å; D860-T888 VanDerWaalsContact N-OG1 3.12Å; D860-T888 VanDerWaalsContact OD1-CG2 3.29Å; D860-T888 WeakPolarHBondContact OD1-CG2 3.25Å; D860-T888 PolarHBondContact OD1-OG1 2.93Å; D860-T888 WeakPolarHBondContact OD2-CG2 3.26Å
861	G	97.3	Very high	98.2	Very high	17 Å²	17	27.4 Å²	27.4	18%	0.175	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	84.6	9.5	177.7	0	0	0	0	0	114.8	Y858 D859	Y858-G861 PolarHBondContact O-N 2.95Å; D859-G861 VanDerWaalsContact C-N 3.28Å; D859-G861 PolarHBondContact O-N 2.98Å
862	N	97.9	Very high	98.2	Very high	112 Å²	112	29.5 Å²	29.5	60%	0.599	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	2.2	-176.7	-62.3	-88.1	0	0	0	114.1	Y858 D859 D860	Y858-N862 PolarHBondContact O-N 3.47Å; D859-N862 HydrophobicContact CB-CB 4.45Å; D859-N862 WeakPolarHBondContact O-CB 3.45Å; D859-N862 PolarHBondContact O-N 3.42Å; D859-N862 VanDerWaalsContact O-N 3.16Å; D859-N862 PolarHBondContact O-ND2 2.93Å; D860-N862 PolarHBondContact O-ND2 3.5Å; D860-N862 VanDerWaalsContact O-ND2 3.17Å
863	F	97.6	Very high	98.2	Very high	15 Å²	15	30.2 Å²	30.2	7%	0.066	16%	0.162	C	C	.	.	S	Bend	trans	-114.7	152.7	172.2	-169.2	-104	0	0	0	111	V834 H835 R857 Y858 G866	V834-F863 HydrophobicContact CG1-CE1 4.21Å; V834-F863 HydrophobicContact CG1-CZ 4.36Å; H835-F863 AromaticContact CD2-CE1 3.32Å; H835-F863 WeakPolarHBondContact CD2-CE1 3.23Å; H835-F863 AromaticContact CD2-CZ 3.7Å; H835-F863 AromaticContact NE2-CE1 3.73Å; H835-F863 AromaticContact NE2-CZ 3.62Å; R857-F863 HydrophobicContact CB-CD1 3.74Å; R857-F863 HydrophobicContact CB-CE1 4.05Å; R857-F863 HydrophobicContact CB-CG 4.25Å; R857-F863 HydrophobicContact CG-CB 4.11Å; R857-F863 HydrophobicContact CG-CD1 3.88Å; R857-F863 HydrophobicContact CG-CD2 4.38Å; R857-F863 HydrophobicContact CG-CE1 4.4Å; R857-F863 HydrophobicContact CG-CG 3.85Å; R857-F863 VanDerWaalsContact O-CD1 3.29Å; R857-F863 WeakPolarHBondContact O-CD1 3.4Å; Y858-F863 PolarHBondContact O-N 3.03Å; F863-G866 VanDerWaalsContact O-CA 3.27Å; F863-G866 WeakPolarHBondContact O-CA 3.39Å; F863-G866 PolarHBondContact O-N 2.89Å
864	F	96.9	Very high	98.2	Very high	84 Å²	84	30.5 Å²	30.5	37%	0.368	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	138.5	-175.1	-178.9	-89.5	0	0	0	111.7	H796 M803 H835	H796-F864 AromaticContact CD2-CE1 3.89Å; H796-F864 AromaticContact CE1-CE1 3.85Å; H796-F864 AromaticContact NE2-CE1 3.57Å; M803-F864 HydrophobicContact CE-CE2 4.12Å; M803-F864 HydrophobicContact CE-CZ 3.75Å; H835-F864 AromaticContact CD2-CD1 3.97Å
865	P	97.6	Very high	98.2	Very high	10 Å²	10	33.7 Å²	33.7	7%	0.065	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.4	-3.4	2.8	35.5	-37.7	0	0	0	115.3	L350 M803 H836 N838	L350-P865 WeakPolarHBondContact CD1-O 3.39Å; M803-P865 HydrophobicContact CE-CB 3.8Å; H836-P865 HydrophobicContact CB-CG 4.16Å; H836-P865 WeakPolarHBondContact O-CG 3.14Å; N838-P865 HydrophobicContact CB-CG 4.27Å
866	G	96.4	Very high	98.1	Very high	9 Å²	9	36.7 Å²	36.7	9%	0.093	22%	0.217	C	C	.	.			trans	95.6	-5.5	179	0	0	0	0	0	115.3	F863	F863-G866 VanDerWaalsContact O-CA 3.27Å; F863-G866 WeakPolarHBondContact O-CA 3.39Å; F863-G866 PolarHBondContact O-N 2.89Å
867	S	98.4	Very high	98.1	Very high	30 Å²	30	41.1 Å²	41.1	21%	0.21	25%	0.246	C	C	.	.			trans	-100.9	177.5	167.3	60.5	0	0	0	0	111.1	H836	H836-S867 VanDerWaalsContact ND1-C 3.35Å; H836-S867 PolarHBondContact ND1-O 3.12Å; H836-S867 PolarHBondContact ND1-OG 3.09Å
868	G	98.5	Very high	98.1	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.242	C	C	.	.			trans	104.5	26	179.6	0	0	0	0	0	113.1	H836 H856 E872 N884 A886	H836-G868 WeakPolarHBondContact ND1-CA 3.38Å; H836-G868 PolarHBondContact ND1-N 3.24Å; H856-G868 PolarHBondContact CE1-O 3.5Å; H856-G868 VanDerWaalsContact CE1-O 3.3Å; H856-G868 PolarHBondContact NE2-O 2.89Å; H856-G868 VanDerWaalsContact NE2-O 3.07Å; G868-E872 WeakPolarHBondContact CA-OE2 3.33Å; G868-E872 PolarHBondContact N-OE1 3.02Å; G868-E872 VanDerWaalsContact N-OE1 3.11Å; G868-E872 PolarHBondContact N-OE2 2.95Å; G868-N884 WeakPolarHBondContact CA-ND2 3.31Å; G868-N884 VanDerWaalsContact O-CB 3.22Å; G868-N884 WeakPolarHBondContact O-CB 3.48Å; G868-N884 PolarHBondContact O-ND2 2.96Å; G868-A886 VanDerWaalsContact O-CB 3.28Å; G868-A886 WeakPolarHBondContact O-CB 3.15Å
869	A	98.7	Very high	98.1	Very high	7 Å²	7	41.4 Å²	41.4	6%	0.058	25%	0.253	C	S	.	.			trans	-60.5	149	-179.6	0	0	0	0	0	112.1	Y858 D871 E872 N884	Y858-A869 HydrophobicContact CE1-CB 4.22Å; Y858-A869 HydrophobicContact CE2-CB 4.31Å; Y858-A869 WeakPolarHBondContact OH-CB 3.49Å; A869-D871 VanDerWaalsContact CB-OD1 3.24Å; A869-D871 WeakPolarHBondContact CB-OD1 3.48Å; A869-D871 PolarHBondContact O-N 2.69Å; A869-D871 VanDerWaalsContact O-N 3.07Å; A869-E872 HydrophobicContact CB-CG 4.07Å; A869-E872 VanDerWaalsContact CB-OE1 3.31Å; A869-E872 WeakPolarHBondContact CB-OE1 3.41Å; A869-E872 PolarHBondContact N-OE1 2.92Å; A869-E872 WeakPolarHBondContact O-CB 3.49Å; A869-E872 PolarHBondContact O-N 3Å; A869-N884 PolarHBondContact O-ND2 2.85Å
870	P	98.6	Very high	98.1	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.013	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.8	176.4	-31.4	39.2	0	0	0	115.9	A886 K1012 V1013 I1016	P870-A886 HydrophobicContact CG-CB 3.79Å; P870-K1012 HydrophobicContact CB-CD 4.38Å; P870-K1012 HydrophobicContact CB-CG 4.3Å; P870-K1012 HydrophobicContact CG-CD 4.04Å; P870-K1012 HydrophobicContact CG-CG 4.43Å; P870-V1013 HydrophobicContact CB-CG2 3.98Å; P870-V1013 HydrophobicContact CG-CG2 4.15Å; P870-I1016 HydrophobicContact CB-CD1 3.71Å; P870-I1016 WeakPolarHBondContact O-CD1 3.3Å
871	D	98.2	Very high	98.2	Very high	113 Å²	113	38.8 Å²	38.8	60%	0.604	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-1.6	178	51	-43.3	0	0	0	113.9	A869 V873 I1016	A869-D871 VanDerWaalsContact CB-OD1 3.24Å; A869-D871 WeakPolarHBondContact CB-OD1 3.48Å; A869-D871 PolarHBondContact O-N 2.69Å; A869-D871 VanDerWaalsContact O-N 3.07Å; D871-V873 PolarHBondContact O-N 2.92Å; D871-I1016 HydrophobicContact CB-CD1 4.37Å
872	E	98.8	Very high	98.3	Very high	44 Å²	44	38.1 Å²	38.1	21%	0.206	23%	0.229	C	C	.	.			trans	-77	64.5	170.2	-68.2	168.8	-142	0	0	110.9	Q841 Y845 G868 A869 G874 N882	Q841-E872 PolarHBondContact NE2-OE2 3.25Å; Y845-E872 HydrophobicContact CE2-CB 4.33Å; Y845-E872 WeakPolarHBondContact OH-CA 3.44Å; Y845-E872 WeakPolarHBondContact OH-CB 3.42Å; G868-E872 WeakPolarHBondContact CA-OE2 3.33Å; G868-E872 PolarHBondContact N-OE1 3.02Å; G868-E872 VanDerWaalsContact N-OE1 3.11Å; G868-E872 PolarHBondContact N-OE2 2.95Å; A869-E872 HydrophobicContact CB-CG 4.07Å; A869-E872 VanDerWaalsContact CB-OE1 3.31Å; A869-E872 WeakPolarHBondContact CB-OE1 3.41Å; A869-E872 PolarHBondContact N-OE1 2.92Å; A869-E872 WeakPolarHBondContact O-CB 3.49Å; A869-E872 PolarHBondContact O-N 3Å; E872-G874 PolarHBondContact O-N 2.89Å; E872-N882 PolarHBondContact O-ND2 3.32Å
873	V	98.7	Very high	98.3	Very high	17 Å²	17	32.8 Å²	32.8	10%	0.103	20%	0.201	C	C	.	.			trans	-85.4	5.1	-169.7	-58.6	0	0	0	0	115.7	D871 V879 G880 I1016 Y1020	D871-V873 PolarHBondContact O-N 2.92Å; V873-V879 HydrophobicContact CG2-CG1 4.26Å; V873-G880 PolarHBondContact O-N 3.37Å; V873-I1016 HydrophobicContact CG1-CG2 3.53Å; V873-Y1020 HydrophobicContact CB-CE2 4.2Å; V873-Y1020 HydrophobicContact CG1-CE2 4.2Å; V873-Y1020 HydrophobicContact CG2-CE2 4.24Å
874	G	98.6	Very high	98.4	Very high	9 Å²	9	32.1 Å²	32.1	9%	0.093	20%	0.198	C	C	.	.			trans	99.6	-179.1	-174.3	0	0	0	0	0	114	Y845 E872	Y845-G874 VanDerWaalsContact CE2-CA 3.49Å; Y845-G874 CarbonylContact O-C 3.47Å; Y845-G874 WeakPolarHBondContact O-CA 3.4Å; Y845-G874 PolarHBondContact OH-N 3.04Å; E872-G874 PolarHBondContact O-N 2.89Å
875	T	98.5	Very high	98.5	Very high	66 Å²	66	28.3 Å²	28.3	41%	0.405	18%	0.181	S	C	.	.			trans	-142.7	154	-172.5	51.2	0	0	0	0	112.9	Y845 N846 G878	Y845-T875 HydrophobicContact CD1-CG2 3.75Å; Y845-T875 HydrophobicContact CE1-CG2 3.55Å; Y845-T875 PolarHBondContact O-N 2.66Å; Y845-T875 PolarHBondContact O-OG1 3.37Å; N846-T875 WeakPolarHBondContact CA-O 3.35Å; T875-G878 WeakPolarHBondContact O-CA 3.16Å; T875-G878 PolarHBondContact O-N 3.4Å
876	G	98.5	Very high	98.5	Very high	64 Å²	64	27.9 Å²	27.9	66%	0.66	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	57.4	-125.2	178.2	0	0	0	0	0	111.6	G878 V879	G876-G878 VanDerWaalsContact C-N 3.28Å; G876-G878 PolarHBondContact O-N 3.48Å; G876-V879 WeakPolarHBondContact O-CG2 3.2Å
877	P	98.3	Very high	98.7	Very high	94 Å²	94	27.5 Å²	27.5	61%	0.61	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-77.1	-11.9	176.6	33	-32.5	0	0	0	113.6	N846 P848	N846-P877 WeakPolarHBondContact O-CG 3.1Å; P848-P877 WeakPolarHBondContact CB-O 3.48Å; P848-P877 HydrophobicContact CG-CB 4.21Å; P848-P877 WeakPolarHBondContact CG-O 3.48Å
878	G	98.5	Very high	98.7	Very high	2 Å²	2	27.2 Å²	27.2	2%	0.021	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-86.3	3.4	177.8	0	0	0	0	0	115.2	T875 G876 G880 F881	T875-G878 WeakPolarHBondContact O-CA 3.16Å; T875-G878 PolarHBondContact O-N 3.4Å; G876-G878 VanDerWaalsContact C-N 3.28Å; G876-G878 PolarHBondContact O-N 3.48Å; G878-G880 PolarHBondContact O-N 3Å; G878-F881 WeakPolarHBondContact O-CB 3.26Å; G878-F881 PolarHBondContact O-N 3.31Å
879	V	98.8	Very high	98.6	Very high	60 Å²	60	28.6 Å²	28.6	36%	0.364	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	126.2	176.7	175.6	0	0	0	0	110.4	V873 G876 F881 Y1020	V873-V879 HydrophobicContact CG2-CG1 4.26Å; G876-V879 WeakPolarHBondContact O-CG2 3.2Å; V879-F881 WeakPolarHBondContact O-CD2 3.48Å; V879-Y1020 HydrophobicContact CG1-CE1 4.17Å
880	G	98.5	Very high	98.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	-14	-176	0	0	0	0	0	114.6	V873 G878 W1021	V873-G880 PolarHBondContact O-N 3.37Å; G878-G880 PolarHBondContact O-N 3Å; G880-W1021 PolarHBondContact O-NE1 3.46Å
881	F	98.8	Very high	98.4	Very high	58 Å²	58	31.5 Å²	31.5	25%	0.254	21%	0.205	S	C	.	.	S	Bend	trans	-96.2	4.7	-176.5	-63.3	-94.5	0	0	0	114	P848 L851 Y852 G878 V879 F915 W1021	P848-F881 HydrophobicContact CB-CD1 4.19Å; P848-F881 HydrophobicContact CB-CD2 3.66Å; P848-F881 HydrophobicContact CB-CE1 4.11Å; P848-F881 HydrophobicContact CB-CE2 3.58Å; P848-F881 HydrophobicContact CB-CG 3.98Å; P848-F881 HydrophobicContact CB-CZ 3.81Å; P848-F881 WeakPolarHBondContact O-CD1 3.4Å; P848-F881 WeakPolarHBondContact O-CE1 3.39Å; L851-F881 WeakPolarHBondContact CA-O 3.32Å; L851-F881 WeakPolarHBondContact CD1-O 3.41Å; Y852-F881 PolarHBondContact N-O 2.88Å; G878-F881 WeakPolarHBondContact O-CB 3.26Å; G878-F881 PolarHBondContact O-N 3.31Å; V879-F881 WeakPolarHBondContact O-CD2 3.48Å; F881-F915 HydrophobicContact CD1-CD2 4.17Å; F881-F915 AromaticContact CD1-CE2 3.9Å; F881-F915 HydrophobicContact CD1-CE2 3.9Å; F881-F915 AromaticContact CE1-CD2 3.98Å; F881-F915 HydrophobicContact CE1-CD2 3.98Å; F881-F915 AromaticContact CE1-CE2 3.88Å; F881-F915 HydrophobicContact CE1-CE2 3.88Å; F881-W1021 HydrophobicContact CD1-CH2 4.26Å; F881-W1021 HydrophobicContact CD1-CZ2 4.19Å; F881-W1021 HydrophobicContact CE1-CH2 4.06Å; F881-W1021 HydrophobicContact CE1-CZ2 4.32Å
882	N	98.9	Very high	98.4	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.1	167.8	-164.4	87.5	0	0	0	108.9	Q841 Y845 Y852 E872 N884 H1017	Q841-N882 WeakPolarHBondContact CG-OD1 3.47Å; Q841-N882 PolarHBondContact OE1-ND2 3.32Å; Y845-N882 HydrophobicContact CD2-CB 4.18Å; Y845-N882 HydrophobicContact CE2-CB 4.15Å; Y852-N882 VanDerWaalsContact CD1-OD1 3.28Å; Y852-N882 WeakPolarHBondContact CD1-OD1 3.34Å; E872-N882 PolarHBondContact O-ND2 3.32Å; N882-N884 PolarHBondContact ND2-ND2 2.94Å; N882-H1017 PolarHBondContact O-CE1 3.11Å
883	V	98.9	Very high	98.3	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	102.5	-172.7	-173.2	0	0	0	0	110.7	L851 Y852 M853 S854 M885 V907 I911 V1013	L851-V883 HydrophobicContact CD1-CG2 3.85Å; Y852-V883 PolarHBondContact O-N 3.01Å; M853-V883 WeakPolarHBondContact CA-O 3.39Å; M853-V883 HydrophobicContact CE-CB 3.81Å; M853-V883 HydrophobicContact CE-CG1 3.72Å; M853-V883 HydrophobicContact CE-CG2 4.07Å; M853-V883 HydrophobicContact CG-CB 4.2Å; S854-V883 PolarHBondContact N-O 3.06Å; V883-M885 PolarHBondContact O-N 3.14Å; V883-V907 HydrophobicContact CG1-CG1 4.01Å; V883-I911 HydrophobicContact CG1-CD1 3.95Å; V883-I911 HydrophobicContact CG2-CD1 4.24Å; V883-I911 HydrophobicContact CG2-CG2 4.43Å; V883-V1013 HydrophobicContact CG1-CG1 4.28Å
884	N	98.9	Very high	98.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	101.7	177.1	-74	-32.3	0	0	0	110.9	Q841 G868 A869 N882 A886 V1013	Q841-N884 PolarHBondContact OE1-ND2 3.43Å; G868-N884 WeakPolarHBondContact CA-ND2 3.31Å; G868-N884 VanDerWaalsContact O-CB 3.22Å; G868-N884 WeakPolarHBondContact O-CB 3.48Å; G868-N884 PolarHBondContact O-ND2 2.96Å; A869-N884 PolarHBondContact O-ND2 2.85Å; N882-N884 PolarHBondContact ND2-ND2 2.94Å; N884-A886 HydrophobicContact CB-CB 4.47Å; N884-A886 PolarHBondContact O-N 3.37Å; N884-V1013 WeakPolarHBondContact O-CG2 3.47Å
885	M	98.9	Very high	98.3	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.015	22%	0.223	C	C	.	.			trans	-76.8	62.4	166.6	-175.6	55.1	-100.8	0	0	109.2	S854 L855 V883 F887 A903 V907 M1010 V1013	S854-M885 WeakPolarHBondContact O-CA 3.26Å; S854-M885 VanDerWaalsContact O-CB 3.3Å; S854-M885 WeakPolarHBondContact O-CB 3.42Å; S854-M885 PolarHBondContact O-N 3.4Å; L855-M885 HydrophobicContact CD2-CG 4.22Å; L855-M885 HydrophobicContact CG-CB 4.09Å; L855-M885 HydrophobicContact CG-CG 4.21Å; V883-M885 PolarHBondContact O-N 3.14Å; M885-F887 HydrophobicContact CE-CD1 4.05Å; M885-F887 HydrophobicContact CE-CE1 3.89Å; M885-F887 HydrophobicContact CE-CG 4.46Å; M885-F887 HydrophobicContact CE-CZ 4.18Å; M885-F887 HydrophobicContact CG-CE2 4.23Å; M885-F887 HydrophobicContact CG-CZ 4.22Å; M885-F887 PolarHBondContact O-N 2.85Å; M885-A903 HydrophobicContact CG-CB 3.95Å; M885-A903 HydrophobicContact SD-CB 4.07Å; M885-V907 HydrophobicContact SD-CB 4.43Å; M885-V907 HydrophobicContact SD-CG2 4Å; M885-M1010 HydrophobicContact CE-CG 3.92Å; M885-M1010 HydrophobicContact SD-CG 3.76Å; M885-V1013 HydrophobicContact CE-CG2 4.22Å; M885-V1013 HydrophobicContact SD-CG2 4.39Å
886	A	98.8	Very high	98.3	Very high	2 Å²	2	31.3 Å²	31.3	2%	0.017	21%	0.208	C	C	.	.			trans	-76.4	110.3	-174.1	0	0	0	0	0	110.1	H856 Y858 G868 P870 N884 T888	H856-A886 WeakPolarHBondContact NE2-CB 3.32Å; Y858-A886 HydrophobicContact CD1-CB 4.04Å; Y858-A886 HydrophobicContact CG-CB 3.88Å; G868-A886 VanDerWaalsContact O-CB 3.28Å; G868-A886 WeakPolarHBondContact O-CB 3.15Å; P870-A886 HydrophobicContact CG-CB 3.79Å; N884-A886 HydrophobicContact CB-CB 4.47Å; N884-A886 PolarHBondContact O-N 3.37Å; A886-T888 PolarHBondContact O-N 3.16Å
887	F	98.9	Very high	98.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-80.8	116.8	178.3	-72.2	-74	0	0	0	110.8	H856 Y858 D859 M885 M895 Y900 A903 Y939 A1006	H856-F887 PolarHBondContact O-N 3.37Å; Y858-F887 PolarHBondContact N-O 3.24Å; D859-F887 PolarHBondContact N-O 3.29Å; D859-F887 VanDerWaalsContact N-O 3.15Å; M885-F887 HydrophobicContact CE-CD1 4.05Å; M885-F887 HydrophobicContact CE-CE1 3.89Å; M885-F887 HydrophobicContact CE-CG 4.46Å; M885-F887 HydrophobicContact CE-CZ 4.18Å; M885-F887 HydrophobicContact CG-CE2 4.23Å; M885-F887 HydrophobicContact CG-CZ 4.22Å; M885-F887 PolarHBondContact O-N 2.85Å; F887-M895 HydrophobicContact CB-CE 4.17Å; F887-M895 HydrophobicContact CB-CG 4.41Å; F887-M895 HydrophobicContact CD1-CE 4.07Å; F887-M895 HydrophobicContact CD1-CG 4.2Å; F887-M895 HydrophobicContact CD1-SD 4.26Å; F887-M895 HydrophobicContact CG-CE 4.47Å; F887-M895 HydrophobicContact CG-CG 4.25Å; F887-Y900 HydrophobicContact CD2-CE2 4.18Å; F887-Y900 HydrophobicContact CE2-CD2 4.04Å; F887-Y900 AromaticContact CE2-CE2 3.6Å; F887-Y900 HydrophobicContact CE2-CE2 3.6Å; F887-Y900 AromaticContact CE2-CZ 3.86Å; F887-Y900 HydrophobicContact CZ-CD2 4.16Å; F887-Y900 HydrophobicContact CZ-CE2 4.15Å; F887-A903 HydrophobicContact CZ-CB 3.96Å; F887-Y939 WeakPolarHBondContact CB-OH 3.33Å; F887-Y939 HydrophobicContact CD2-CE2 4.42Å; F887-A1006 HydrophobicContact CD1-CB 4.34Å; F887-A1006 HydrophobicContact CE1-CB 4.08Å
888	T	98.5	Very high	98.3	Very high	25 Å²	25	24.7 Å²	24.7	15%	0.153	15%	0.153	C	C	.	.			trans	-109.1	139.5	172.1	-82.4	0	0	0	0	109.9	D860 A886 S1009	D860-T888 VanDerWaalsContact CG-CG2 3.48Å; D860-T888 PolarHBondContact N-OG1 3.28Å; D860-T888 VanDerWaalsContact N-OG1 3.12Å; D860-T888 VanDerWaalsContact OD1-CG2 3.29Å; D860-T888 WeakPolarHBondContact OD1-CG2 3.25Å; D860-T888 PolarHBondContact OD1-OG1 2.93Å; D860-T888 WeakPolarHBondContact OD2-CG2 3.26Å; A886-T888 PolarHBondContact O-N 3.16Å; T888-S1009 PolarHBondContact N-OG 3.03Å; T888-S1009 PolarHBondContact O-OG 3.45Å
889	G	97.1	Very high	98.3	Very high	29 Å²	29	24.7 Å²	24.7	30%	0.299	15%	0.153	S	C	.	.	S	Bend	trans	146.4	-0.3	171.2	0	0	0	0	0	114.6	D859 N1005	D859-G889 PolarHBondContact OD1-N 3.48Å; G889-N1005 PolarHBondContact O-ND2 3.26Å
890	G	95.9	Very high	98.3	Very high	20 Å²	20	21.9 Å²	21.9	21%	0.206	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	-143.7	-173.9	0	0	0	0	0	111.7	D859	D859-G890 VanDerWaalsContact OD1-CA 3.25Å; D859-G890 WeakPolarHBondContact OD1-CA 3.1Å; D859-G890 PolarHBondContact OD1-N 3.41Å
891	L	97.9	Very high	98.3	Very high	49 Å²	49	22.4 Å²	22.4	26%	0.257	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	42.7	-178.4	-61.5	-172.2	0	0	0	111.2	P893 P894 T934 G938 Y939	L891-P893 CarbonylContact C-O 3.52Å; L891-P893 CarbonylContact O-C 3.47Å; L891-P894 HydrophobicContact CB-CG 4.11Å; L891-P894 HydrophobicContact CD2-CB 4.14Å; L891-P894 HydrophobicContact CD2-CG 4.45Å; L891-P894 WeakPolarHBondContact O-CD 3.29Å; L891-T934 HydrophobicContact CD1-CG2 3.57Å; L891-G938 WeakPolarHBondContact CD2-O 3.44Å; L891-Y939 HydrophobicContact CD2-CD1 3.7Å; L891-Y939 HydrophobicContact CD2-CE1 3.75Å
892	D	97.2	Very high	98.3	Very high	132 Å²	132	19.8 Å²	19.8	71%	0.706	13%	0.127	S	C	*	.	S	Bend	trans	-123.1	79.8	-179.6	-170.2	23.4	0	0	0	112.7	N1005	D892-N1005 PolarHBondContact O-ND2 3.32Å
893	P	97.8	Very high	98.3	Very high	65 Å²	65	19.6 Å²	19.6	42%	0.422	13%	0.126	S	C	.	.	S	Bend	cis	-77.6	171.8	-14.7	36.2	-36	0	0	0	111.6	L891 N1003	L891-P893 CarbonylContact C-O 3.52Å; L891-P893 CarbonylContact O-C 3.47Å; P893-N1003 HydrophobicContact CG-CB 3.74Å
894	P	98.3	Very high	98.3	Very high	41 Å²	41	19.6 Å²	19.6	27%	0.266	13%	0.126	S	C	.	.	P	Polyproline II helix	trans	-55.6	145.9	165.8	-22.3	33.1	0	0	0	112	L891 G938 N940	L891-P894 HydrophobicContact CB-CG 4.11Å; L891-P894 HydrophobicContact CD2-CB 4.14Å; L891-P894 HydrophobicContact CD2-CG 4.45Å; L891-P894 WeakPolarHBondContact O-CD 3.29Å; P894-G938 WeakPolarHBondContact CB-O 3.5Å; P894-N940 WeakPolarHBondContact CB-ND2 3.26Å
895	M	98.7	Very high	98.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-68.1	146.4	171.1	-50.2	-52.6	175.9	0	0	110.3	F887 E899 Y900 Y939 N940 N1003 N1005 A1006	F887-M895 HydrophobicContact CB-CE 4.17Å; F887-M895 HydrophobicContact CB-CG 4.41Å; F887-M895 HydrophobicContact CD1-CE 4.07Å; F887-M895 HydrophobicContact CD1-CG 4.2Å; F887-M895 HydrophobicContact CD1-SD 4.26Å; F887-M895 HydrophobicContact CG-CE 4.47Å; F887-M895 HydrophobicContact CG-CG 4.25Å; M895-E899 HydrophobicContact CB-CB 4.17Å; M895-E899 HydrophobicContact CB-CG 4.39Å; M895-E899 HydrophobicContact SD-CB 4.36Å; M895-E899 HydrophobicContact SD-CG 3.91Å; M895-Y900 HydrophobicContact CB-CE2 4.27Å; M895-Y939 HydrophobicContact CB-CD1 3.98Å; M895-Y939 HydrophobicContact CB-CD2 3.85Å; M895-Y939 HydrophobicContact CB-CE1 3.93Å; M895-Y939 HydrophobicContact CB-CE2 3.81Å; M895-Y939 HydrophobicContact CB-CG 3.93Å; M895-Y939 HydrophobicContact CG-CD1 4.16Å; M895-Y939 HydrophobicContact CG-CD2 4.32Å; M895-Y939 HydrophobicContact CG-CE1 3.59Å; M895-Y939 HydrophobicContact CG-CE2 3.78Å; M895-Y939 HydrophobicContact CG-CG 4.5Å; M895-Y939 WeakPolarHBondContact O-CB 3.44Å; M895-N940 PolarHBondContact O-N 2.87Å; M895-N1003 PolarHBondContact SD-ND2 3.4Å; M895-N1005 HydrophobicContact CE-CB 3.96Å; M895-A1006 HydrophobicContact CE-CB 4.31Å; M895-A1006 HydrophobicContact SD-CB 3.79Å
896	G	98.5	Very high	98.2	Very high	7 Å²	7	21.7 Å²	21.7	7%	0.072	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-142.5	-159.1	178.4	0	0	0	0	0	112.5	A898 E899 Y900	G896-A898 VanDerWaalsContact C-N 3.31Å; G896-A898 PolarHBondContact O-N 3.34Å; G896-E899 WeakPolarHBondContact CA-OE2 3.49Å; G896-E899 PolarHBondContact N-OE2 2.78Å; G896-E899 PolarHBondContact O-N 3.38Å; G896-Y900 PolarHBondContact O-N 2.9Å; G896-Y900 VanDerWaalsContact O-N 3.13Å
897	D	98.7	Very high	98.2	Very high	11 Å²	11	21.6 Å²	21.6	6%	0.059	13%	0.133	C	C	.	.	H	α-helix	trans	-55.1	-42.5	-177.5	-70.9	1.4	0	0	0	113.1	E899 L901 L941 S942 C945 V997	D897-E899 VanDerWaalsContact C-N 3.33Å; D897-E899 PolarHBondContact O-N 3.05Å; D897-L901 HydrophobicContact CB-CD1 4.39Å; D897-L901 WeakPolarHBondContact O-CB 3.34Å; D897-L901 WeakPolarHBondContact O-CD1 3.46Å; D897-L901 WeakPolarHBondContact O-CG 3.5Å; D897-L901 PolarHBondContact O-N 2.87Å; D897-L941 VanDerWaalsContact OD1-CA 3.3Å; D897-L941 WeakPolarHBondContact OD1-CA 3.36Å; D897-S942 PolarHBondContact OD1-N 3.32Å; D897-S942 PolarHBondContact OD1-OG 3.4Å; D897-S942 WeakPolarHBondContact OD2-CB 3.45Å; D897-S942 PolarHBondContact OD2-OG 2.91Å; D897-C945 HydrophobicContact CB-CB 4.34Å; D897-C945 WeakPolarHBondContact OD1-CB 3.28Å; D897-V997 HydrophobicContact CB-CG1 3.44Å; D897-V997 VanDerWaalsContact CB-CG1 3.44Å; D897-V997 HydrophobicContact CB-CG2 4.31Å
898	A	98.6	Very high	98.2	Very high	8 Å²	8	21.6 Å²	21.6	7%	0.066	13%	0.133	C	C	.	.	H	α-helix	trans	-65.2	-38.5	-176.8	0	0	0	0	0	112.1	G896 A902 Q1000	G896-A898 VanDerWaalsContact C-N 3.31Å; G896-A898 PolarHBondContact O-N 3.34Å; A898-A902 VanDerWaalsContact O-CB 3.24Å; A898-A902 WeakPolarHBondContact O-CB 3.26Å; A898-A902 PolarHBondContact O-N 3.1Å; A898-Q1000 HydrophobicContact CB-CB 3.9Å; A898-Q1000 HydrophobicContact CB-CG 3.61Å
899	E	98.7	Very high	98.2	Very high	3 Å²	3	21.6 Å²	21.6	1%	0.014	13%	0.131	C	C	.	.	H	α-helix	trans	-69.6	-47.3	178.4	-68.1	73.1	-161.5	0	0	112.1	M895 G896 D897 A902 A903 P1002 N1003 A1006	M895-E899 HydrophobicContact CB-CB 4.17Å; M895-E899 HydrophobicContact CB-CG 4.39Å; M895-E899 HydrophobicContact SD-CB 4.36Å; M895-E899 HydrophobicContact SD-CG 3.91Å; G896-E899 WeakPolarHBondContact CA-OE2 3.49Å; G896-E899 PolarHBondContact N-OE2 2.78Å; G896-E899 PolarHBondContact O-N 3.38Å; D897-E899 VanDerWaalsContact C-N 3.33Å; D897-E899 PolarHBondContact O-N 3.05Å; E899-A902 PolarHBondContact O-N 3.42Å; E899-A903 WeakPolarHBondContact O-CB 3.3Å; E899-A903 PolarHBondContact O-N 3.02Å; E899-P1002 HydrophobicContact CG-CB 4.14Å; E899-N1003 VanDerWaalsContact CG-ND2 3.29Å; E899-N1003 WeakPolarHBondContact CG-ND2 3.39Å; E899-N1003 PolarHBondContact OE1-N 3.14Å; E899-N1003 PolarHBondContact OE1-ND2 3.08Å; E899-A1006 HydrophobicContact CB-CB 3.85Å; E899-A1006 HydrophobicContact CG-CB 3.38Å
900	Y	98.8	Very high	98.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-70	-36.2	178.1	-88.5	-116.8	0	0	0	112.2	L855 F887 M895 G896 A903 F904 Y939 L941 L949	L855-Y900 HydrophobicContact CB-CD1 4.4Å; L855-Y900 HydrophobicContact CB-CE1 3.78Å; L855-Y900 HydrophobicContact CD2-CD1 4.05Å; L855-Y900 HydrophobicContact CD2-CE1 4.26Å; L855-Y900 PolarHBondContact O-OH 3.28Å; F887-Y900 HydrophobicContact CD2-CE2 4.18Å; F887-Y900 HydrophobicContact CE2-CD2 4.04Å; F887-Y900 AromaticContact CE2-CE2 3.6Å; F887-Y900 HydrophobicContact CE2-CE2 3.6Å; F887-Y900 AromaticContact CE2-CZ 3.86Å; F887-Y900 HydrophobicContact CZ-CD2 4.16Å; F887-Y900 HydrophobicContact CZ-CE2 4.15Å; M895-Y900 HydrophobicContact CB-CE2 4.27Å; G896-Y900 PolarHBondContact O-N 2.9Å; G896-Y900 VanDerWaalsContact O-N 3.13Å; Y900-A903 PolarHBondContact O-N 3.2Å; Y900-F904 WeakPolarHBondContact O-CB 3.46Å; Y900-F904 WeakPolarHBondContact O-CD2 3.44Å; Y900-F904 PolarHBondContact O-N 2.9Å; Y900-Y939 AromaticContact CE2-CD2 3.9Å; Y900-Y939 HydrophobicContact CE2-CD2 3.9Å; Y900-Y939 HydrophobicContact CE2-CE2 4.02Å; Y900-L941 HydrophobicContact CD1-CD2 3.79Å; Y900-L941 HydrophobicContact CD2-CD1 3.67Å; Y900-L941 HydrophobicContact CD2-CD2 4.09Å; Y900-L941 HydrophobicContact CD2-CG 4.33Å; Y900-L941 HydrophobicContact CE1-CD2 4.27Å; Y900-L941 HydrophobicContact CE2-CD1 3.79Å; Y900-L941 HydrophobicContact CG-CD1 4.16Å; Y900-L941 HydrophobicContact CG-CD2 3.69Å; Y900-L941 HydrophobicContact CG-CG 4.35Å; Y900-L949 HydrophobicContact CD1-CD1 4.37Å
901	L	98.6	Very high	98.3	Very high	12 Å²	12	20.1 Å²	20.1	6%	0.063	11%	0.113	C	C	.	.	H	α-helix	trans	-67.4	-36.1	173.6	-69.9	167	0	0	0	112.1	D897 R905 L949 L993 V997	D897-L901 HydrophobicContact CB-CD1 4.39Å; D897-L901 WeakPolarHBondContact O-CB 3.34Å; D897-L901 WeakPolarHBondContact O-CD1 3.46Å; D897-L901 WeakPolarHBondContact O-CG 3.5Å; D897-L901 PolarHBondContact O-N 2.87Å; L901-R905 VanDerWaalsContact O-CB 3.31Å; L901-R905 WeakPolarHBondContact O-CB 3.11Å; L901-R905 PolarHBondContact O-N 3.45Å; L901-L949 HydrophobicContact CD2-CD2 4.02Å; L901-L993 HydrophobicContact CD1-CD1 3.58Å; L901-V997 HydrophobicContact CD1-CG1 4.24Å
902	A	98.3	Very high	98.4	Very high	3 Å²	3	17.8 Å²	17.8	3%	0.025	10%	0.101	C	C	.	.	H	α-helix	trans	-65	-48.5	172.1	0	0	0	0	0	111.3	A898 E899 F904 R905 T906 P1002 M1010	A898-A902 VanDerWaalsContact O-CB 3.24Å; A898-A902 WeakPolarHBondContact O-CB 3.26Å; A898-A902 PolarHBondContact O-N 3.1Å; E899-A902 PolarHBondContact O-N 3.42Å; A902-F904 VanDerWaalsContact C-N 3.3Å; A902-F904 PolarHBondContact O-N 3.35Å; A902-R905 WeakPolarHBondContact O-CA 3.42Å; A902-R905 WeakPolarHBondContact O-CB 3.48Å; A902-R905 PolarHBondContact O-N 3.44Å; A902-T906 PolarHBondContact O-N 3.49Å; A902-T906 PolarHBondContact O-OG1 2.88Å; A902-P1002 HydrophobicContact CB-CB 3.94Å; A902-P1002 HydrophobicContact CB-CG 3.77Å; A902-M1010 HydrophobicContact CB-CE 3.77Å; A902-M1010 HydrophobicContact CB-SD 3.89Å
903	A	98.6	Very high	98.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.3	-37.4	178	0	0	0	0	0	112.6	L855 M885 F887 E899 Y900 V907 V908 M1010	L855-A903 HydrophobicContact CD2-CB 4.17Å; M885-A903 HydrophobicContact CG-CB 3.95Å; M885-A903 HydrophobicContact SD-CB 4.07Å; F887-A903 HydrophobicContact CZ-CB 3.96Å; E899-A903 WeakPolarHBondContact O-CB 3.3Å; E899-A903 PolarHBondContact O-N 3.02Å; Y900-A903 PolarHBondContact O-N 3.2Å; A903-V907 WeakPolarHBondContact O-CA 3.31Å; A903-V907 WeakPolarHBondContact O-CB 3.47Å; A903-V907 PolarHBondContact O-N 3.48Å; A903-V908 PolarHBondContact O-N 3.18Å; A903-M1010 VanDerWaalsContact CA-SD 3.51Å; A903-M1010 HydrophobicContact CB-CG 4.23Å; A903-M1010 HydrophobicContact CB-SD 3.97Å; A903-M1010 PolarHBondContact N-SD 3.28Å; A903-M1010 VanDerWaalsContact N-SD 3.38Å
904	F	98.7	Very high	98.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.088	C	C	.	.	I	π-helix	trans	-62.7	-42.6	171.2	-99.1	-111.3	0	0	0	112.5	V830 W832 L855 Y900 A902 V908 M909 L949 Q952 L953	V830-F904 HydrophobicContact CG1-CZ 4.46Å; W832-F904 HydrophobicContact CE3-CZ 4.13Å; W832-F904 HydrophobicContact CZ3-CZ 4.43Å; L855-F904 HydrophobicContact CD1-CE2 3.98Å; L855-F904 HydrophobicContact CD2-CD2 3.82Å; L855-F904 HydrophobicContact CD2-CE2 3.7Å; Y900-F904 WeakPolarHBondContact O-CB 3.46Å; Y900-F904 WeakPolarHBondContact O-CD2 3.44Å; Y900-F904 PolarHBondContact O-N 2.9Å; A902-F904 VanDerWaalsContact C-N 3.3Å; A902-F904 PolarHBondContact O-N 3.35Å; F904-V908 HydrophobicContact CD1-CB 4.34Å; F904-V908 HydrophobicContact CD1-CG1 4.46Å; F904-V908 HydrophobicContact CD2-CB 4.31Å; F904-V908 HydrophobicContact CD2-CG2 3.88Å; F904-V908 HydrophobicContact CE1-CG1 4.26Å; F904-V908 HydrophobicContact CE2-CG2 4.08Å; F904-V908 HydrophobicContact CG-CB 4.21Å; F904-V908 HydrophobicContact CG-CG2 4.24Å; F904-V908 HydrophobicContact CZ-CG1 4.3Å; F904-M909 HydrophobicContact CD1-CG 4.07Å; F904-M909 HydrophobicContact CD1-SD 4.22Å; F904-M909 VanDerWaalsContact O-CB 3.24Å; F904-M909 WeakPolarHBondContact O-CB 3.26Å; F904-M909 WeakPolarHBondContact O-CG 3.13Å; F904-M909 PolarHBondContact O-N 2.97Å; F904-L949 HydrophobicContact CB-CD2 4.4Å; F904-L949 HydrophobicContact CD1-CD2 3.97Å; F904-L949 HydrophobicContact CD2-CD1 4.35Å; F904-L949 HydrophobicContact CD2-CD2 3.73Å; F904-L949 HydrophobicContact CE1-CB 4.04Å; F904-L949 HydrophobicContact CE1-CD2 4.15Å; F904-L949 HydrophobicContact CE2-CB 4.43Å; F904-L949 HydrophobicContact CE2-CD1 3.84Å; F904-L949 HydrophobicContact CE2-CD2 3.93Å; F904-L949 HydrophobicContact CE2-CG 4.27Å; F904-L949 HydrophobicContact CG-CD2 3.75Å; F904-L949 HydrophobicContact CZ-CB 3.94Å; F904-L949 HydrophobicContact CZ-CD1 4.13Å; F904-L949 HydrophobicContact CZ-CD2 4.14Å; F904-L949 HydrophobicContact CZ-CG 4.27Å; F904-Q952 HydrophobicContact CD1-CB 4.35Å; F904-L953 HydrophobicContact CE1-CD1 4.45Å; F904-L953 HydrophobicContact CE1-CD2 3.85Å; F904-L953 HydrophobicContact CE1-CG 3.96Å; F904-L953 HydrophobicContact CZ-CD2 4.48Å
905	R	97.6	Very high	98.5	Very high	48 Å²	48	15 Å²	15	18%	0.181	8%	0.077	C	C	.	.	I	π-helix	trans	-68.9	-33.8	-179.8	179.5	176.3	60.7	73.6	-3.8	113.6	L901 A902 P910 T1030 H1033	L901-R905 VanDerWaalsContact O-CB 3.31Å; L901-R905 WeakPolarHBondContact O-CB 3.11Å; L901-R905 PolarHBondContact O-N 3.45Å; A902-R905 WeakPolarHBondContact O-CA 3.42Å; A902-R905 WeakPolarHBondContact O-CB 3.48Å; A902-R905 PolarHBondContact O-N 3.44Å; R905-P910 VanDerWaalsContact O-CG 3.24Å; R905-P910 WeakPolarHBondContact O-CG 3.41Å; R905-T1030 PolarHBondContact NH1-O 2.98Å; R905-T1030 PolarHBondContact NH1-OG1 2.89Å; R905-T1030 PolarHBondContact NH2-O 3.33Å; R905-H1033 PolarHBondContact NH2-O 3.35Å
906	T	97.6	Very high	98.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	I	π-helix	trans	-107.8	-25.4	-170.5	58.5	0	0	0	0	115	A902 M1010 L1024 V1031	A902-T906 PolarHBondContact O-N 3.49Å; A902-T906 PolarHBondContact O-OG1 2.88Å; T906-M1010 PolarHBondContact OG1-SD 3.45Å; T906-L1024 WeakPolarHBondContact O-CD2 3.26Å; T906-V1031 HydrophobicContact CG2-CG2 4.2Å
907	V	98.5	Very high	98.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.096	C	C	.	.	I	π-helix	trans	-118.7	-62	-178.4	-176.3	0	0	0	0	111.2	M853 V883 M885 A903 I911 V1013 M1014	M853-V907 HydrophobicContact CE-CG1 4.38Å; V883-V907 HydrophobicContact CG1-CG1 4.01Å; M885-V907 HydrophobicContact SD-CB 4.43Å; M885-V907 HydrophobicContact SD-CG2 4Å; A903-V907 WeakPolarHBondContact O-CA 3.31Å; A903-V907 WeakPolarHBondContact O-CB 3.47Å; A903-V907 PolarHBondContact O-N 3.48Å; V907-I911 HydrophobicContact CG1-CD1 3.88Å; V907-I911 WeakPolarHBondContact O-CB 3.4Å; V907-I911 VanDerWaalsContact O-CG1 3.31Å; V907-I911 WeakPolarHBondContact O-CG1 3.05Å; V907-I911 PolarHBondContact O-N 3.2Å; V907-V1013 HydrophobicContact CG1-CG1 3.98Å; V907-V1013 HydrophobicContact CG2-CG1 4.48Å; V907-M1014 HydrophobicContact CG2-CG 3.78Å; V907-M1014 HydrophobicContact CG2-SD 4.36Å
908	V	98.8	Very high	98.5	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	11%	0.107	C	C	.	.	I	π-helix	trans	-65.2	-60.5	-168.3	-168.8	0	0	0	0	112.2	V830 M853 L855 A903 F904 A912	V830-V908 HydrophobicContact CG2-CG1 4.46Å; M853-V908 HydrophobicContact SD-CG1 4.1Å; L855-V908 HydrophobicContact CD1-CG2 3.93Å; L855-V908 HydrophobicContact CD2-CG2 3.87Å; L855-V908 HydrophobicContact CG-CG2 4.19Å; A903-V908 PolarHBondContact O-N 3.18Å; F904-V908 HydrophobicContact CD1-CB 4.34Å; F904-V908 HydrophobicContact CD1-CG1 4.46Å; F904-V908 HydrophobicContact CD2-CB 4.31Å; F904-V908 HydrophobicContact CD2-CG2 3.88Å; F904-V908 HydrophobicContact CE1-CG1 4.26Å; F904-V908 HydrophobicContact CE2-CG2 4.08Å; F904-V908 HydrophobicContact CG-CB 4.21Å; F904-V908 HydrophobicContact CG-CG2 4.24Å; F904-V908 HydrophobicContact CZ-CG1 4.3Å; V908-A912 WeakPolarHBondContact O-CB 3.37Å; V908-A912 PolarHBondContact O-N 3.38Å
909	M	98.6	Very high	98.5	Very high	24 Å²	24	19.3 Å²	19.3	12%	0.118	11%	0.105	C	C	.	.	H	α-helix	trans	-66.8	-39.1	-175.7	-63.4	-57.9	-61.6	0	0	113	F904 N913 Q952 L953 L956	F904-M909 HydrophobicContact CD1-CG 4.07Å; F904-M909 HydrophobicContact CD1-SD 4.22Å; F904-M909 VanDerWaalsContact O-CB 3.24Å; F904-M909 WeakPolarHBondContact O-CB 3.26Å; F904-M909 WeakPolarHBondContact O-CG 3.13Å; F904-M909 PolarHBondContact O-N 2.97Å; M909-N913 VanDerWaalsContact O-CB 3.31Å; M909-N913 WeakPolarHBondContact O-CB 3.48Å; M909-N913 PolarHBondContact O-N 3.49Å; M909-N913 PolarHBondContact O-ND2 2.87Å; M909-Q952 HydrophobicContact CE-CB 4.23Å; M909-Q952 VanDerWaalsContact CE-O 3.31Å; M909-Q952 WeakPolarHBondContact CE-O 3.45Å; M909-Q952 HydrophobicContact CG-CB 4.36Å; M909-Q952 HydrophobicContact SD-CB 3.9Å; M909-L953 HydrophobicContact SD-CD2 3.93Å; M909-L956 HydrophobicContact CE-CD1 4.22Å; M909-L956 HydrophobicContact CE-CD2 4.17Å; M909-L956 HydrophobicContact CE-CG 4.07Å; M909-L956 HydrophobicContact SD-CD1 4.39Å
910	P	98.1	Very high	98.5	Very high	19 Å²	19	19.2 Å²	19.2	12%	0.123	11%	0.105	C	C	.	.	H	α-helix	trans	-57.7	-51.9	174.3	-29	38.1	0	0	0	113.3	R905 N913 E914 C1023 L1024 L1027	R905-P910 VanDerWaalsContact O-CG 3.24Å; R905-P910 WeakPolarHBondContact O-CG 3.41Å; P910-N913 PolarHBondContact O-N 2.99Å; P910-E914 PolarHBondContact O-N 3.32Å; P910-E914 VanDerWaalsContact O-N 3.08Å; P910-C1023 VanDerWaalsContact C-SG 3.52Å; P910-C1023 HydrophobicContact CB-CB 3.98Å; P910-L1024 HydrophobicContact CB-CD2 4.47Å; P910-L1027 HydrophobicContact CB-CD1 3.61Å; P910-L1027 HydrophobicContact CG-CD1 3.32Å
911	I	98.7	Very high	98.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.1	-45.4	-179.9	-65.5	171.2	0	0	0	110.4	L851 M853 V883 V907 N913 E914 F915 W1021 L1024	L851-I911 HydrophobicContact CD1-CG2 4.37Å; L851-I911 HydrophobicContact CD2-CG2 3.86Å; M853-I911 HydrophobicContact CE-CB 3.79Å; M853-I911 HydrophobicContact CE-CD1 3.85Å; M853-I911 HydrophobicContact CE-CG1 4.4Å; M853-I911 HydrophobicContact CE-CG2 3.85Å; M853-I911 HydrophobicContact SD-CB 4.43Å; M853-I911 HydrophobicContact SD-CG2 4.21Å; V883-I911 HydrophobicContact CG1-CD1 3.95Å; V883-I911 HydrophobicContact CG2-CD1 4.24Å; V883-I911 HydrophobicContact CG2-CG2 4.43Å; V907-I911 HydrophobicContact CG1-CD1 3.88Å; V907-I911 WeakPolarHBondContact O-CB 3.4Å; V907-I911 VanDerWaalsContact O-CG1 3.31Å; V907-I911 WeakPolarHBondContact O-CG1 3.05Å; V907-I911 PolarHBondContact O-N 3.2Å; I911-N913 VanDerWaalsContact C-N 3.3Å; I911-N913 PolarHBondContact O-N 3.15Å; I911-E914 PolarHBondContact O-N 3.25Å; I911-E914 VanDerWaalsContact O-N 3.12Å; I911-F915 WeakPolarHBondContact O-CB 3.42Å; I911-F915 PolarHBondContact O-N 3.01Å; I911-W1021 HydrophobicContact CB-CD2 4.43Å; I911-W1021 HydrophobicContact CD1-CG 4.42Å; I911-W1021 HydrophobicContact CG1-CB 4.19Å; I911-W1021 HydrophobicContact CG1-CD2 4.33Å; I911-W1021 HydrophobicContact CG1-CG 3.97Å; I911-W1021 HydrophobicContact CG2-CD2 3.67Å; I911-W1021 HydrophobicContact CG2-CE3 3.99Å; I911-W1021 HydrophobicContact CG2-CG 4.15Å; I911-W1021 HydrophobicContact CG2-CH2 4.17Å; I911-W1021 HydrophobicContact CG2-CZ2 3.85Å; I911-W1021 HydrophobicContact CG2-CZ3 4.23Å; I911-L1024 HydrophobicContact CD1-CD1 4.1Å; I911-L1024 HydrophobicContact CD1-CD2 4.22Å; I911-L1024 HydrophobicContact CG1-CD1 4.32Å; I911-L1024 HydrophobicContact CG1-CD2 4Å; I911-L1024 HydrophobicContact CG1-CG 4.34Å
912	A	98.8	Very high	98.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.3	-32.4	179.7	0	0	0	0	0	113.5	L828 M853 V908 A916 P917 L956	L828-A912 HydrophobicContact CD2-CB 3.73Å; M853-A912 HydrophobicContact SD-CB 4.49Å; V908-A912 WeakPolarHBondContact O-CB 3.37Å; V908-A912 PolarHBondContact O-N 3.38Å; A912-A916 PolarHBondContact O-N 2.88Å; A912-P917 VanDerWaalsContact O-CD 3.24Å; A912-P917 WeakPolarHBondContact O-CD 3.42Å; A912-L956 HydrophobicContact CB-CD1 3.67Å; A912-L956 HydrophobicContact CB-CD2 4.27Å
913	N	98.4	Very high	98.6	Very high	96 Å²	96	18.7 Å²	18.7	51%	0.513	10%	0.102	S	C	.	.	H	α-helix	trans	-73.8	-36.1	172.4	-81.7	-71.4	0	0	0	112.5	M909 P910 I911 A916	M909-N913 VanDerWaalsContact O-CB 3.31Å; M909-N913 WeakPolarHBondContact O-CB 3.48Å; M909-N913 PolarHBondContact O-N 3.49Å; M909-N913 PolarHBondContact O-ND2 2.87Å; P910-N913 PolarHBondContact O-N 2.99Å; I911-N913 VanDerWaalsContact C-N 3.3Å; I911-N913 PolarHBondContact O-N 3.15Å; N913-A916 PolarHBondContact O-N 3.37Å
914	E	98.5	Very high	98.6	Very high	74 Å²	74	18.7 Å²	18.7	35%	0.346	10%	0.102	S	C	.	.	H	α-helix	trans	-70.2	-37.3	175.2	-170.3	168.6	174.7	0	0	111.6	P910 I911 W1021 R1022 C1023	P910-E914 PolarHBondContact O-N 3.32Å; P910-E914 VanDerWaalsContact O-N 3.08Å; I911-E914 PolarHBondContact O-N 3.25Å; I911-E914 VanDerWaalsContact O-N 3.12Å; E914-W1021 HydrophobicContact CB-CE3 3.97Å; E914-W1021 HydrophobicContact CB-CZ3 4.23Å; E914-W1021 HydrophobicContact CG-CE3 3.92Å; E914-W1021 HydrophobicContact CG-CZ3 4.25Å; E914-R1022 VanDerWaalsContact OE1-CB 3.27Å; E914-R1022 WeakPolarHBondContact OE1-CB 3.37Å; E914-R1022 WeakPolarHBondContact OE1-CG 3.24Å; E914-R1022 PolarHBondContact OE1-N 2.99Å; E914-R1022 PolarHBondContact OE2-N 3.35Å; E914-C1023 VanDerWaalsContact OE2-CB 3.32Å; E914-C1023 WeakPolarHBondContact OE2-CB 3.41Å; E914-C1023 PolarHBondContact OE2-N 3.29Å; E914-C1023 PolarHBondContact OE2-SG 2.89Å
915	F	98.6	Very high	98.6	Very high	8 Å²	8	18.7 Å²	18.7	4%	0.035	10%	0.102	C	C	.	.	H	α-helix	trans	-68.1	-36	171.4	-176.9	-115.1	0	0	0	112.6	K826 I827 L828 L851 F881 I911 P917 W1021	K826-F915 HydrophobicContact CB-CE1 3.85Å; K826-F915 HydrophobicContact CB-CE2 4.32Å; K826-F915 HydrophobicContact CB-CZ 3.67Å; K826-F915 HydrophobicContact CD-CD2 4.36Å; K826-F915 HydrophobicContact CD-CE2 4.08Å; K826-F915 HydrophobicContact CD-CZ 4.28Å; K826-F915 WeakPolarHBondContact CD-O 3.35Å; K826-F915 WeakPolarHBondContact CE-O 3.16Å; K826-F915 HydrophobicContact CG-CE2 4.11Å; K826-F915 HydrophobicContact CG-CZ 3.94Å; K826-F915 PolarHBondContact NZ-O 3.46Å; I827-F915 WeakPolarHBondContact O-CE1 3.27Å; L828-F915 HydrophobicContact CB-CE1 4.49Å; L851-F915 HydrophobicContact CB-CD1 3.68Å; L851-F915 HydrophobicContact CB-CD2 4.12Å; L851-F915 HydrophobicContact CB-CE1 3.53Å; L851-F915 HydrophobicContact CB-CE2 3.98Å; L851-F915 HydrophobicContact CB-CG 3.97Å; L851-F915 HydrophobicContact CB-CZ 3.68Å; L851-F915 HydrophobicContact CD2-CB 3.57Å; L851-F915 HydrophobicContact CD2-CD1 3.66Å; L851-F915 HydrophobicContact CD2-CD2 4.29Å; L851-F915 HydrophobicContact CD2-CE1 4.4Å; L851-F915 HydrophobicContact CD2-CG 3.59Å; L851-F915 HydrophobicContact CG-CD1 4.33Å; L851-F915 HydrophobicContact CG-CG 4.43Å; F881-F915 HydrophobicContact CD1-CD2 4.17Å; F881-F915 AromaticContact CD1-CE2 3.9Å; F881-F915 HydrophobicContact CD1-CE2 3.9Å; F881-F915 AromaticContact CE1-CD2 3.98Å; F881-F915 HydrophobicContact CE1-CD2 3.98Å; F881-F915 AromaticContact CE1-CE2 3.88Å; F881-F915 HydrophobicContact CE1-CE2 3.88Å; I911-F915 WeakPolarHBondContact O-CB 3.42Å; I911-F915 PolarHBondContact O-N 3.01Å; F915-P917 HydrophobicContact CD1-CB 3.98Å; F915-P917 HydrophobicContact CD1-CG 4.45Å; F915-P917 HydrophobicContact CE1-CB 3.99Å; F915-W1021 HydrophobicContact CB-CH2 3.82Å; F915-W1021 HydrophobicContact CB-CZ3 3.92Å; F915-W1021 AromaticContact CD2-CH2 3.98Å; F915-W1021 HydrophobicContact CD2-CH2 3.98Å; F915-W1021 HydrophobicContact CG-CH2 4.3Å
916	A	98.7	Very high	98.6	Very high	51 Å²	51	16.4 Å²	16.4	42%	0.421	9%	0.093	S	C	.	.			trans	50.1	70.1	178.1	0	0	0	0	0	113.8	K826 A912 N913	K826-A916 WeakPolarHBondContact CE-O 3.04Å; K826-A916 PolarHBondContact NZ-O 2.97Å; A912-A916 PolarHBondContact O-N 2.88Å; N913-A916 PolarHBondContact O-N 3.37Å
917	P	98.8	Very high	98.7	Very high	7 Å²	7	16.4 Å²	16.4	5%	0.045	9%	0.093	C	C	.	.			trans	-69.9	154.1	-173.2	29.7	-37.3	0	0	0	114	L828 A912 F915 V920 L956 A957	L828-P917 HydrophobicContact CB-CB 3.67Å; L828-P917 HydrophobicContact CB-CG 3.71Å; L828-P917 HydrophobicContact CD2-CG 4.14Å; A912-P917 VanDerWaalsContact O-CD 3.24Å; A912-P917 WeakPolarHBondContact O-CD 3.42Å; F915-P917 HydrophobicContact CD1-CB 3.98Å; F915-P917 HydrophobicContact CD1-CG 4.45Å; F915-P917 HydrophobicContact CE1-CB 3.99Å; P917-V920 HydrophobicContact CG-CG2 3.97Å; P917-L956 HydrophobicContact CG-CB 4.27Å; P917-A957 VanDerWaalsContact O-CA 3.29Å; P917-A957 WeakPolarHBondContact O-CA 3.48Å; P917-A957 WeakPolarHBondContact O-CB 3.35Å
918	D	98.8	Very high	98.7	Very high	56 Å²	56	16.4 Å²	16.4	30%	0.299	9%	0.093	S	C	.	.	S	Bend	trans	-81.1	-31	173.4	-63.4	-49.9	0	0	0	112.4	V824 S825 K826 R960	V824-D918 HydrophobicContact CG1-CB 3.73Å; S825-D918 WeakPolarHBondContact CB-OD2 3.27Å; S825-D918 PolarHBondContact N-OD2 3.19Å; K826-D918 PolarHBondContact N-OD2 3.23Å; K826-D918 WeakPolarHBondContact O-CB 3.21Å; K826-D918 PolarHBondContact O-N 2.89Å; D918-R960 VanDerWaalsContact O-CZ 3.24Å; D918-R960 PolarHBondContact O-NE 3.06Å; D918-R960 PolarHBondContact O-NH2 3.2Å
919	V	98.9	Very high	98.7	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.024	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	141.2	177.6	178.7	0	0	0	0	108.8	A779 L818 V824 L828 L921	A779-V919 HydrophobicContact CB-CG2 4.23Å; L818-V919 HydrophobicContact CD1-CB 4.3Å; L818-V919 HydrophobicContact CD1-CG1 4Å; L818-V919 HydrophobicContact CD1-CG2 4.38Å; V824-V919 HydrophobicContact CG1-CB 4.49Å; V824-V919 HydrophobicContact CG1-CG2 4.05Å; L828-V919 PolarHBondContact N-O 2.95Å; V919-L921 HydrophobicContact CG1-CD2 4.09Å
920	V	98.9	Very high	98.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.3	170	-175.5	0	0	0	0	109.9	L828 P917 V922 L956 A957 R960 I961 V962	L828-V920 HydrophobicContact CB-CG2 4.33Å; L828-V920 HydrophobicContact CD2-CG1 4.1Å; L828-V920 HydrophobicContact CD2-CG2 4.09Å; L828-V920 HydrophobicContact CG-CG1 4.26Å; L828-V920 CarbonylContact O-C 3.39Å; L828-V920 WeakPolarHBondContact O-CA 3.29Å; P917-V920 HydrophobicContact CG-CG2 3.97Å; V920-V922 HydrophobicContact CG1-CG2 4.13Å; V920-L956 HydrophobicContact CG2-CB 3.87Å; V920-L956 HydrophobicContact CG2-CD1 4.35Å; V920-A957 HydrophobicContact CG2-CB 3.91Å; V920-R960 PolarHBondContact N-O 3.32Å; V920-I961 HydrophobicContact CB-CB 4.27Å; V920-I961 HydrophobicContact CB-CD1 4.43Å; V920-I961 HydrophobicContact CB-CG1 3.99Å; V920-I961 HydrophobicContact CG1-CD1 4.09Å; V920-I961 HydrophobicContact CG1-CG1 4.01Å; V920-I961 VanDerWaalsContact O-CA 3.28Å; V920-I961 WeakPolarHBondContact O-CA 3.45Å; V920-V962 PolarHBondContact O-N 3.13Å
921	L	99	Very high	98.4	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	148.8	165.4	-53.7	-177.5	0	0	0	108.8	V775 V811 A814 A815 I827 L828 I829 V830 V919 V962	V775-L921 HydrophobicContact CB-CD2 4.46Å; V775-L921 HydrophobicContact CG1-CD2 3.94Å; V775-L921 HydrophobicContact CG2-CD2 3.63Å; V811-L921 HydrophobicContact CG1-CB 3.89Å; V811-L921 HydrophobicContact CG1-CD1 4.02Å; A814-L921 HydrophobicContact CB-CD1 4.43Å; A815-L921 HydrophobicContact CB-CD1 3.9Å; I827-L921 HydrophobicContact CG2-CD1 4.26Å; I827-L921 HydrophobicContact CG2-CG 4.25Å; L828-L921 PolarHBondContact O-N 3.4Å; I829-L921 WeakPolarHBondContact CA-O 3.42Å; I829-L921 HydrophobicContact CG1-CB 4.37Å; V830-L921 PolarHBondContact N-O 3.38Å; V919-L921 HydrophobicContact CG1-CD2 4.09Å; L921-V962 CarbonylContact C-O 3.56Å; L921-V962 WeakPolarHBondContact CA-O 3.39Å; L921-V962 HydrophobicContact CD2-CB 4.26Å
922	V	99	Very high	98.4	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	116	176.8	-172.8	0	0	0	0	110.3	V830 W832 V920 S924 L953 I961 V962 L963 A964	V830-V922 HydrophobicContact CB-CG2 4.5Å; V830-V922 CarbonylContact O-C 3.5Å; V830-V922 WeakPolarHBondContact O-CA 3.33Å; V830-V922 WeakPolarHBondContact O-CG1 3.47Å; W832-V922 HydrophobicContact CD2-CG1 3.73Å; W832-V922 HydrophobicContact CE3-CG1 3.9Å; W832-V922 HydrophobicContact CG-CG1 4.37Å; W832-V922 HydrophobicContact CH2-CG1 3.95Å; W832-V922 HydrophobicContact CZ2-CG1 3.8Å; W832-V922 HydrophobicContact CZ3-CG1 4.01Å; V920-V922 HydrophobicContact CG1-CG2 4.13Å; V922-S924 PolarHBondContact O-N 3.26Å; V922-L953 HydrophobicContact CG2-CD1 3.69Å; V922-I961 HydrophobicContact CG2-CD1 3.93Å; V922-I961 HydrophobicContact CG2-CG1 4.13Å; V922-V962 PolarHBondContact N-O 2.92Å; V922-L963 HydrophobicContact CB-CB 4.48Å; V922-L963 HydrophobicContact CB-CD1 3.97Å; V922-L963 HydrophobicContact CB-CG 3.88Å; V922-L963 HydrophobicContact CG1-CG 4.26Å; V922-L963 HydrophobicContact CG2-CD1 3.79Å; V922-L963 HydrophobicContact CG2-CG 4.24Å; V922-A964 PolarHBondContact O-N 2.98Å
923	S	98.9	Very high	98.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	104.4	162.6	-85.3	0	0	0	0	106.7	V811 V830 D831 W832 E966	V811-S923 WeakPolarHBondContact CG2-OG 3.41Å; V830-S923 PolarHBondContact O-N 3.28Å; D831-S923 VanDerWaalsContact CG-CB 3.49Å; D831-S923 WeakPolarHBondContact OD1-CB 3.24Å; W832-S923 PolarHBondContact N-O 3.32Å; W832-S923 VanDerWaalsContact N-O 3.15Å; S923-E966 WeakPolarHBondContact CB-OE1 3.44Å; S923-E966 PolarHBondContact OG-OE1 2.73Å
924	S	98.8	Very high	98	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	66.5	-160.5	179.9	0	0	0	0	111.3	W832 V922 F926 A964 E966	W832-S924 PolarHBondContact NE1-OG 3.49Å; W832-S924 VanDerWaalsContact NE1-OG 3.17Å; V922-S924 PolarHBondContact O-N 3.26Å; S924-F926 WeakPolarHBondContact OG-CZ 3.48Å; S924-A964 WeakPolarHBondContact CA-O 3.36Å; S924-A964 VanDerWaalsContact CB-O 3.26Å; S924-A964 WeakPolarHBondContact CB-O 3.26Å; S924-A964 PolarHBondContact N-O 3.01Å; S924-E966 PolarHBondContact O-N 3.05Å
925	G	98.5	Very high	97.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.173	C	C	.	.			trans	-65	162.2	162.9	0	0	0	0	0	112.6	W832 D833	W832-G925 PolarHBondContact NE1-O 3.22Å; D833-G925 WeakPolarHBondContact OD2-CA 3.38Å
926	F	98.8	Very high	97.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.183	C	C	.	.			trans	-138.8	17.4	-179	-66.1	-48.7	0	0	0	112.9	F787 S924 A928 V929 H932 F946 L965 G967 I974 A977 S978	F787-F926 HydrophobicContact CE2-CE2 4.27Å; F787-F926 AromaticContact CE2-CZ 3.97Å; F787-F926 HydrophobicContact CE2-CZ 3.97Å; F787-F926 AromaticContact CZ-CE2 3.93Å; F787-F926 HydrophobicContact CZ-CE2 3.93Å; F787-F926 HydrophobicContact CZ-CZ 4.12Å; S924-F926 WeakPolarHBondContact OG-CZ 3.48Å; F926-A928 VanDerWaalsContact C-N 3.32Å; F926-V929 HydrophobicContact CB-CG2 4.24Å; F926-V929 VanDerWaalsContact O-CB 3.27Å; F926-V929 WeakPolarHBondContact O-CB 3.4Å; F926-V929 WeakPolarHBondContact O-CG2 3.44Å; F926-V929 PolarHBondContact O-N 3.24Å; F926-H932 PolarHBondContact O-CE1 2.88Å; F926-H932 PolarHBondContact O-ND1 2.86Å; F926-F946 AromaticContact CD1-CD1 3.76Å; F926-F946 HydrophobicContact CD1-CD1 3.76Å; F926-F946 AromaticContact CD1-CE1 3.93Å; F926-F946 HydrophobicContact CD1-CE1 3.93Å; F926-F946 HydrophobicContact CD1-CG 4.09Å; F926-F946 HydrophobicContact CD1-CZ 4.4Å; F926-F946 HydrophobicContact CE1-CB 4.28Å; F926-F946 AromaticContact CE1-CD1 3.76Å; F926-F946 HydrophobicContact CE1-CD1 3.76Å; F926-F946 HydrophobicContact CE1-CE1 4.33Å; F926-F946 HydrophobicContact CE1-CG 4.08Å; F926-L965 HydrophobicContact CD2-CD1 3.66Å; F926-L965 HydrophobicContact CE2-CD1 3.76Å; F926-G967 PolarHBondContact N-O 3.32Å; F926-I974 HydrophobicContact CB-CB 4.45Å; F926-I974 HydrophobicContact CB-CG2 3.92Å; F926-I974 HydrophobicContact CD2-CB 4.26Å; F926-I974 HydrophobicContact CD2-CG2 4.5Å; F926-A977 HydrophobicContact CB-CB 4.32Å; F926-A977 HydrophobicContact CD1-CB 3.46Å; F926-A977 VanDerWaalsContact CD1-CB 3.46Å; F926-A977 HydrophobicContact CD2-CB 4.14Å; F926-A977 HydrophobicContact CE1-CB 3.66Å; F926-A977 HydrophobicContact CE2-CB 4.29Å; F926-A977 HydrophobicContact CG-CB 3.73Å; F926-A977 HydrophobicContact CZ-CB 4.07Å; F926-S978 WeakPolarHBondContact CE2-OG 3.46Å
927	D	98.2	Very high	97.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.1	177.2	26	35	0	0	0	114.3	V834 H835 V929 H932 L936 G967 G968	V834-D927 HydrophobicContact CB-CB 4.4Å; V834-D927 HydrophobicContact CG1-CB 3.71Å; V834-D927 WeakPolarHBondContact CG1-OD1 3.47Å; V834-D927 PolarHBondContact N-OD1 3.01Å; H835-D927 IonicContact CE1-OD2 3.91Å; H835-D927 PolarHBondContact CE1-OD2 3.36Å; H835-D927 IonicContact ND1-OD2 3.88Å; D927-V929 PolarHBondContact O-N 3.15Å; D927-H932 VanDerWaalsContact O-CB 3.27Å; D927-H932 WeakPolarHBondContact O-CB 3.39Å; D927-H932 PolarHBondContact O-ND1 3.37Å; D927-L936 WeakPolarHBondContact CB-O 3.46Å; D927-G967 WeakPolarHBondContact OD2-CA 3.35Å; D927-G968 VanDerWaalsContact CG-N 3.27Å; D927-G968 PolarHBondContact OD2-N 2.84Å
928	A	98.5	Very high	97.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-9.9	166.8	0	0	0	0	0	113.1	V834 F926 Y939 L941 F946	V834-A928 HydrophobicContact CB-CB 4.02Å; V834-A928 HydrophobicContact CG2-CB 4.05Å; F926-A928 VanDerWaalsContact C-N 3.32Å; A928-Y939 HydrophobicContact CB-CD2 4.29Å; A928-Y939 CarbonylContact O-C 3.38Å; A928-Y939 WeakPolarHBondContact O-CB 3.47Å; A928-L941 HydrophobicContact CB-CD1 4.15Å; A928-L941 WeakPolarHBondContact O-CB 3.26Å; A928-L941 WeakPolarHBondContact O-CD1 3.36Å; A928-L941 PolarHBondContact O-N 3.16Å; A928-F946 HydrophobicContact CB-CZ 4.31Å
929	V	98.5	Very high	97.2	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.03	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-73.5	144	177	-177.3	0	0	0	0	110.8	F926 D927 G931 H932 L941 F946 A973 A977	F926-V929 HydrophobicContact CB-CG2 4.24Å; F926-V929 VanDerWaalsContact O-CB 3.27Å; F926-V929 WeakPolarHBondContact O-CB 3.4Å; F926-V929 WeakPolarHBondContact O-CG2 3.44Å; F926-V929 PolarHBondContact O-N 3.24Å; D927-V929 PolarHBondContact O-N 3.15Å; V929-G931 PolarHBondContact O-N 3.41Å; V929-H932 PolarHBondContact O-ND1 2.9Å; V929-L941 CarbonylContact C-O 3.52Å; V929-L941 WeakPolarHBondContact CA-O 3.3Å; V929-L941 WeakPolarHBondContact CG1-O 3.48Å; V929-F946 HydrophobicContact CG2-CD2 3.78Å; V929-F946 HydrophobicContact CG2-CE2 3.31Å; V929-F946 HydrophobicContact CG2-CZ 4.04Å; V929-A973 HydrophobicContact CB-CB 4.02Å; V929-A973 HydrophobicContact CG1-CB 3.66Å; V929-A977 HydrophobicContact CG2-CB 4.22Å
930	E	97.5	Very high	97.2	Very high	131 Å²	131	27.6 Å²	27.6	61%	0.612	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.1	135.6	172.4	-176.7	176.4	-167.9	0	0	111.8	N940 L941	E930-N940 HydrophobicContact CB-CB 4.45Å; E930-L941 PolarHBondContact N-O 2.95Å
931	G	94.3	Very high	97.1	Very high	50 Å²	50	27.6 Å²	27.6	52%	0.515	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	113.6	-19.6	-176.5	0	0	0	0	0	114.1	V929 P933	V929-G931 PolarHBondContact O-N 3.41Å; G931-P933 WeakPolarHBondContact O-CD 3.47Å
932	H	97.3	Very high	97.1	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.046	18%	0.178	C	C	.	.			trans	-79.3	123.2	177.6	-66.9	88.7	0	0	0	112	F926 D927 V929 G938 H969 D970	F926-H932 PolarHBondContact O-CE1 2.88Å; F926-H932 PolarHBondContact O-ND1 2.86Å; D927-H932 VanDerWaalsContact O-CB 3.27Å; D927-H932 WeakPolarHBondContact O-CB 3.39Å; D927-H932 PolarHBondContact O-ND1 3.37Å; V929-H932 PolarHBondContact O-ND1 2.9Å; H932-G938 WeakPolarHBondContact O-CA 3.27Å; H932-G938 PolarHBondContact O-N 3.38Å; H932-H969 PolarHBondContact NE2-N 3.16Å; H932-D970 PolarHBondContact NE2-N 3.36Å
933	P	93.7	Very high	97.1	Very high	77 Å²	77	29.6 Å²	29.6	50%	0.5	18%	0.184	S	C	.	.			trans	-59.9	149	179.3	-25.8	35.9	0	0	0	113.2	G931 P935 L936 G937	G931-P933 WeakPolarHBondContact O-CD 3.47Å; P933-P935 VanDerWaalsContact C-N 3.28Å; P933-P935 WeakPolarHBondContact O-CD 3.39Å; P933-L936 PolarHBondContact O-N 3.13Å; P933-G937 PolarHBondContact O-N 2.9Å
934	T	95.7	Very high	97.1	Very high	82 Å²	82	33.6 Å²	33.6	50%	0.503	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-42.8	-36.4	179.7	-61.2	0	0	0	0	116.8	R857 L891	R857-T934 PolarHBondContact NH1-O 3.46Å; L891-T934 HydrophobicContact CD1-CG2 3.57Å
935	P	93.2	Very high	97	Very high	88 Å²	88	33.6 Å²	33.6	57%	0.571	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-76.6	-13.1	176.6	-18.7	34.5	0	0	0	115.8	P933	P933-P935 VanDerWaalsContact C-N 3.28Å; P933-P935 WeakPolarHBondContact O-CD 3.39Å
936	L	92.1	Very high	97.1	Very high	48 Å²	48	33.6 Å²	33.6	25%	0.251	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-116.5	14	-177.9	-66.4	171.5	0	0	0	112.4	P674 D927 P933	P674-L936 HydrophobicContact CB-CD1 4.38Å; P674-L936 HydrophobicContact CG-CD1 4.25Å; D927-L936 WeakPolarHBondContact CB-O 3.46Å; P933-L936 PolarHBondContact O-N 3.13Å
937	G	95.9	Very high	97.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.201	C	C	.	.			trans	149.9	-84.8	-176.3	0	0	0	0	0	110.8	R857 P933	R857-G937 WeakPolarHBondContact CD-O 3.47Å; R857-G937 PolarHBondContact NH1-O 2.99Å; P933-G937 PolarHBondContact O-N 2.9Å
938	G	96.9	Very high	97.1	Very high	7 Å²	7	36.6 Å²	36.6	7%	0.072	21%	0.213	C	C	.	.			trans	81.2	11	177.2	0	0	0	0	0	115.4	L891 P894 H932	L891-G938 WeakPolarHBondContact CD2-O 3.44Å; P894-G938 WeakPolarHBondContact CB-O 3.5Å; H932-G938 WeakPolarHBondContact O-CA 3.27Å; H932-G938 PolarHBondContact O-N 3.38Å
939	Y	98.6	Very high	97.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.213	C	C	.	.			trans	-85	164.3	169	-71.5	-6	0	0	0	111.3	V834 R857 F887 L891 M895 Y900 A928	V834-Y939 HydrophobicContact CG2-CD2 3.74Å; V834-Y939 HydrophobicContact CG2-CE2 4.05Å; V834-Y939 HydrophobicContact CG2-CG 4.26Å; R857-Y939 WeakPolarHBondContact CA-OH 3.36Å; R857-Y939 HydrophobicContact CB-CE1 4.27Å; R857-Y939 HydrophobicContact CB-CE2 3.94Å; R857-Y939 WeakPolarHBondContact CB-OH 3.03Å; R857-Y939 HydrophobicContact CG-CE1 4.08Å; R857-Y939 WeakPolarHBondContact CG-OH 3.32Å; F887-Y939 WeakPolarHBondContact CB-OH 3.33Å; F887-Y939 HydrophobicContact CD2-CE2 4.42Å; L891-Y939 HydrophobicContact CD2-CD1 3.7Å; L891-Y939 HydrophobicContact CD2-CE1 3.75Å; M895-Y939 HydrophobicContact CB-CD1 3.98Å; M895-Y939 HydrophobicContact CB-CD2 3.85Å; M895-Y939 HydrophobicContact CB-CE1 3.93Å; M895-Y939 HydrophobicContact CB-CE2 3.81Å; M895-Y939 HydrophobicContact CB-CG 3.93Å; M895-Y939 HydrophobicContact CG-CD1 4.16Å; M895-Y939 HydrophobicContact CG-CD2 4.32Å; M895-Y939 HydrophobicContact CG-CE1 3.59Å; M895-Y939 HydrophobicContact CG-CE2 3.78Å; M895-Y939 HydrophobicContact CG-CG 4.5Å; M895-Y939 WeakPolarHBondContact O-CB 3.44Å; Y900-Y939 AromaticContact CE2-CD2 3.9Å; Y900-Y939 HydrophobicContact CE2-CD2 3.9Å; Y900-Y939 HydrophobicContact CE2-CE2 4.02Å; A928-Y939 HydrophobicContact CB-CD2 4.29Å; A928-Y939 CarbonylContact O-C 3.38Å; A928-Y939 WeakPolarHBondContact O-CB 3.47Å
940	N	98	Very high	97.1	Very high	77 Å²	77	36.3 Å²	36.3	41%	0.412	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-126.9	52.8	-173.5	-64.6	-45.5	0	0	0	111.2	P894 M895 E930	P894-N940 WeakPolarHBondContact CB-ND2 3.26Å; M895-N940 PolarHBondContact O-N 2.87Å; E930-N940 HydrophobicContact CB-CB 4.45Å
941	L	98.6	Very high	97.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-73.4	147.3	167.6	-82	73.6	0	0	0	110.1	D897 Y900 A928 V929 E930 F946	D897-L941 VanDerWaalsContact OD1-CA 3.3Å; D897-L941 WeakPolarHBondContact OD1-CA 3.36Å; Y900-L941 HydrophobicContact CD1-CD2 3.79Å; Y900-L941 HydrophobicContact CD2-CD1 3.67Å; Y900-L941 HydrophobicContact CD2-CD2 4.09Å; Y900-L941 HydrophobicContact CD2-CG 4.33Å; Y900-L941 HydrophobicContact CE1-CD2 4.27Å; Y900-L941 HydrophobicContact CE2-CD1 3.79Å; Y900-L941 HydrophobicContact CG-CD1 4.16Å; Y900-L941 HydrophobicContact CG-CD2 3.69Å; Y900-L941 HydrophobicContact CG-CG 4.35Å; A928-L941 HydrophobicContact CB-CD1 4.15Å; A928-L941 WeakPolarHBondContact O-CB 3.26Å; A928-L941 WeakPolarHBondContact O-CD1 3.36Å; A928-L941 PolarHBondContact O-N 3.16Å; V929-L941 CarbonylContact C-O 3.52Å; V929-L941 WeakPolarHBondContact CA-O 3.3Å; V929-L941 WeakPolarHBondContact CG1-O 3.48Å; E930-L941 PolarHBondContact N-O 2.95Å; L941-F946 HydrophobicContact CB-CE2 3.83Å; L941-F946 HydrophobicContact CD2-CD2 4.36Å; L941-F946 HydrophobicContact CD2-CE2 3.54Å; L941-F946 HydrophobicContact CD2-CZ 3.79Å; L941-F946 HydrophobicContact CG-CE2 4.36Å
942	S	98.5	Very high	97.4	Very high	31 Å²	31	36.2 Å²	36.2	22%	0.217	20%	0.196	C	C	.	.			trans	-80.1	143.3	165.2	76.9	0	0	0	0	110.3	D897 K944 C945	D897-S942 PolarHBondContact OD1-N 3.32Å; D897-S942 PolarHBondContact OD1-OG 3.4Å; D897-S942 WeakPolarHBondContact OD2-CB 3.45Å; D897-S942 PolarHBondContact OD2-OG 2.91Å; S942-K944 PolarHBondContact O-N 2.99Å; S942-K944 VanDerWaalsContact O-N 3.09Å; S942-C945 VanDerWaalsContact O-CB 3.26Å; S942-C945 WeakPolarHBondContact O-CB 3.36Å; S942-C945 PolarHBondContact O-N 2.92Å; S942-C945 PolarHBondContact OG-N 2.85Å
943	A	98.5	Very high	97.4	Very high	15 Å²	15	35.8 Å²	35.8	12%	0.124	19%	0.193	C	C	.	.	H	α-helix	trans	-52.8	-30.5	170.1	0	0	0	0	0	113	C945 F946 D976 A977 A980	A943-C945 VanDerWaalsContact C-N 3.34Å; A943-C945 PolarHBondContact O-N 3.13Å; A943-F946 PolarHBondContact O-N 3.05Å; A943-D976 HydrophobicContact CB-CB 3.44Å; A943-D976 VanDerWaalsContact CB-CB 3.44Å; A943-A977 HydrophobicContact CB-CB 4.11Å; A943-A980 VanDerWaalsContact O-CB 3.22Å; A943-A980 WeakPolarHBondContact O-CB 3.47Å
944	K	98.1	Very high	97.7	Very high	85 Å²	85	33.8 Å²	33.8	37%	0.37	18%	0.178	S	C	.	.	H	α-helix	trans	-64.6	-37.2	177	-53.5	-170	-170.5	-166.2	0	111.9	S942 F946 G947 Y948 E991 L993	S942-K944 PolarHBondContact O-N 2.99Å; S942-K944 VanDerWaalsContact O-N 3.09Å; K944-F946 VanDerWaalsContact C-N 3.3Å; K944-F946 PolarHBondContact O-N 3.24Å; K944-G947 WeakPolarHBondContact O-CA 3.27Å; K944-G947 PolarHBondContact O-N 2.89Å; K944-Y948 WeakPolarHBondContact O-CD2 3.46Å; K944-Y948 PolarHBondContact O-N 3.39Å; K944-E991 HydrophobicContact CD-CB 4.23Å; K944-E991 VanDerWaalsContact CE-OE2 3.31Å; K944-E991 WeakPolarHBondContact CE-OE2 3.34Å; K944-E991 IonicContact NZ-OE2 3.58Å; K944-E991 PolarHBondContact NZ-OE2 2.91Å; K944-L993 HydrophobicContact CB-CD2 4.2Å
945	C	98.7	Very high	97.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-56.5	-43.7	178.4	-171.7	0	0	0	0	111.7	D897 S942 A943 G947 Y948 L949	D897-C945 HydrophobicContact CB-CB 4.34Å; D897-C945 WeakPolarHBondContact OD1-CB 3.28Å; S942-C945 VanDerWaalsContact O-CB 3.26Å; S942-C945 WeakPolarHBondContact O-CB 3.36Å; S942-C945 PolarHBondContact O-N 2.92Å; S942-C945 PolarHBondContact OG-N 2.85Å; A943-C945 VanDerWaalsContact C-N 3.34Å; A943-C945 PolarHBondContact O-N 3.13Å; C945-G947 PolarHBondContact O-N 2.88Å; C945-Y948 CarbonylContact O-C 3.5Å; C945-Y948 WeakPolarHBondContact O-CA 3.28Å; C945-Y948 WeakPolarHBondContact O-CB 3.43Å; C945-Y948 PolarHBondContact O-N 2.86Å; C945-L949 WeakPolarHBondContact O-CG 3.45Å; C945-L949 PolarHBondContact O-N 3.45Å
946	F	98.8	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.8	-32.4	176.4	-74.6	-91.8	0	0	0	113.4	W832 F926 A928 V929 L941 A943 K944 L949 T950	W832-F946 AromaticContact CD1-CD1 3.99Å; W832-F946 AromaticContact CD1-CE1 3.53Å; W832-F946 HydrophobicContact CD2-CD1 4.13Å; W832-F946 HydrophobicContact CD2-CE1 4.2Å; W832-F946 AromaticContact CE2-CD1 3.68Å; W832-F946 HydrophobicContact CG-CD1 4.32Å; W832-F946 AromaticContact CG-CE1 3.9Å; W832-F946 HydrophobicContact CG-CE1 3.9Å; W832-F946 HydrophobicContact CZ2-CD1 4.09Å; W832-F946 AromaticContact NE1-CD1 3.56Å; W832-F946 AromaticContact NE1-CE1 3.58Å; F926-F946 AromaticContact CD1-CD1 3.76Å; F926-F946 HydrophobicContact CD1-CD1 3.76Å; F926-F946 AromaticContact CD1-CE1 3.93Å; F926-F946 HydrophobicContact CD1-CE1 3.93Å; F926-F946 HydrophobicContact CD1-CG 4.09Å; F926-F946 HydrophobicContact CD1-CZ 4.4Å; F926-F946 HydrophobicContact CE1-CB 4.28Å; F926-F946 AromaticContact CE1-CD1 3.76Å; F926-F946 HydrophobicContact CE1-CD1 3.76Å; F926-F946 HydrophobicContact CE1-CE1 4.33Å; F926-F946 HydrophobicContact CE1-CG 4.08Å; A928-F946 HydrophobicContact CB-CZ 4.31Å; V929-F946 HydrophobicContact CG2-CD2 3.78Å; V929-F946 HydrophobicContact CG2-CE2 3.31Å; V929-F946 HydrophobicContact CG2-CZ 4.04Å; L941-F946 HydrophobicContact CB-CE2 3.83Å; L941-F946 HydrophobicContact CD2-CD2 4.36Å; L941-F946 HydrophobicContact CD2-CE2 3.54Å; L941-F946 HydrophobicContact CD2-CZ 3.79Å; L941-F946 HydrophobicContact CG-CE2 4.36Å; A943-F946 PolarHBondContact O-N 3.05Å; K944-F946 VanDerWaalsContact C-N 3.3Å; K944-F946 PolarHBondContact O-N 3.24Å; F946-L949 PolarHBondContact O-N 3.39Å; F946-T950 WeakPolarHBondContact O-CB 3.37Å; F946-T950 PolarHBondContact O-N 3.31Å; F946-T950 PolarHBondContact O-OG1 3.48Å
947	G	98.7	Very high	98.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.1	-40.2	168.8	0	0	0	0	0	113	K944 C945 K951 A984 L990	K944-G947 WeakPolarHBondContact O-CA 3.27Å; K944-G947 PolarHBondContact O-N 2.89Å; C945-G947 PolarHBondContact O-N 2.88Å; G947-K951 WeakPolarHBondContact O-CB 3.41Å; G947-K951 PolarHBondContact O-N 3.34Å; G947-A984 WeakPolarHBondContact O-CB 3.4Å; G947-L990 VanDerWaalsContact C-CD1 3.47Å; G947-L990 WeakPolarHBondContact O-CD1 3.34Å
948	Y	98.7	Very high	98.4	Very high	62 Å²	62	31 Å²	31	24%	0.243	19%	0.191	C	C	.	.	H	α-helix	trans	-70.4	-39.4	174.3	-80.3	-99.3	0	0	0	112.8	K944 C945 K951 Q952 L990 P992 L993	K944-Y948 WeakPolarHBondContact O-CD2 3.46Å; K944-Y948 PolarHBondContact O-N 3.39Å; C945-Y948 CarbonylContact O-C 3.5Å; C945-Y948 WeakPolarHBondContact O-CA 3.28Å; C945-Y948 WeakPolarHBondContact O-CB 3.43Å; C945-Y948 PolarHBondContact O-N 2.86Å; Y948-K951 PolarHBondContact O-N 3.26Å; Y948-Q952 WeakPolarHBondContact O-CG 3.37Å; Y948-Q952 PolarHBondContact O-N 2.87Å; Y948-L990 HydrophobicContact CD2-CD1 4.05Å; Y948-L990 HydrophobicContact CE2-CB 4.03Å; Y948-L990 HydrophobicContact CE2-CD1 4.24Å; Y948-L990 HydrophobicContact CG-CD1 4.34Å; Y948-P992 WeakPolarHBondContact OH-CA 3.45Å; Y948-L993 HydrophobicContact CD1-CD1 4.34Å; Y948-L993 HydrophobicContact CD2-CD1 4.24Å; Y948-L993 HydrophobicContact CD2-CD2 3.85Å; Y948-L993 HydrophobicContact CD2-CG 3.86Å; Y948-L993 HydrophobicContact CE1-CD1 4.48Å; Y948-L993 HydrophobicContact CE1-CG 4.42Å; Y948-L993 HydrophobicContact CE2-CD1 4.39Å; Y948-L993 HydrophobicContact CE2-CD2 3.94Å; Y948-L993 HydrophobicContact CE2-CG 3.67Å; Y948-L993 HydrophobicContact CG-CD1 4.22Å; Y948-L993 HydrophobicContact CG-CG 4.32Å
949	L	98.8	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62	-46.7	173.6	-56.7	-170.3	0	0	0	110.6	W832 Y900 L901 F904 C945 F946 K951 Q952 L953	W832-L949 HydrophobicContact CE3-CB 4.12Å; W832-L949 HydrophobicContact CE3-CD1 4.31Å; W832-L949 HydrophobicContact CH2-CB 4.34Å; W832-L949 HydrophobicContact CZ3-CB 3.68Å; Y900-L949 HydrophobicContact CD1-CD1 4.37Å; L901-L949 HydrophobicContact CD2-CD2 4.02Å; F904-L949 HydrophobicContact CB-CD2 4.4Å; F904-L949 HydrophobicContact CD1-CD2 3.97Å; F904-L949 HydrophobicContact CD2-CD1 4.35Å; F904-L949 HydrophobicContact CD2-CD2 3.73Å; F904-L949 HydrophobicContact CE1-CB 4.04Å; F904-L949 HydrophobicContact CE1-CD2 4.15Å; F904-L949 HydrophobicContact CE2-CB 4.43Å; F904-L949 HydrophobicContact CE2-CD1 3.84Å; F904-L949 HydrophobicContact CE2-CD2 3.93Å; F904-L949 HydrophobicContact CE2-CG 4.27Å; F904-L949 HydrophobicContact CG-CD2 3.75Å; F904-L949 HydrophobicContact CZ-CB 3.94Å; F904-L949 HydrophobicContact CZ-CD1 4.13Å; F904-L949 HydrophobicContact CZ-CD2 4.14Å; F904-L949 HydrophobicContact CZ-CG 4.27Å; C945-L949 WeakPolarHBondContact O-CG 3.45Å; C945-L949 PolarHBondContact O-N 3.45Å; F946-L949 PolarHBondContact O-N 3.39Å; L949-K951 VanDerWaalsContact C-N 3.32Å; L949-K951 PolarHBondContact O-N 3.05Å; L949-Q952 PolarHBondContact O-N 3.49Å; L949-Q952 VanDerWaalsContact O-N 3.16Å; L949-L953 PolarHBondContact O-N 3.06Å
950	T	98.9	Very high	98.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-54.4	-47.5	171.9	-57.9	0	0	0	0	111.4	W832 F946 Q952 L953 M954 L963 C981 A984 L985	W832-T950 WeakPolarHBondContact CH2-OG1 3.37Å; F946-T950 WeakPolarHBondContact O-CB 3.37Å; F946-T950 PolarHBondContact O-N 3.31Å; F946-T950 PolarHBondContact O-OG1 3.48Å; T950-Q952 VanDerWaalsContact C-N 3.31Å; T950-Q952 PolarHBondContact O-N 3.05Å; T950-L953 PolarHBondContact O-N 3.13Å; T950-M954 HydrophobicContact CG2-CG 4.47Å; T950-M954 HydrophobicContact CG2-SD 4.09Å; T950-M954 VanDerWaalsContact O-CG 3.26Å; T950-M954 WeakPolarHBondContact O-CG 3.42Å; T950-M954 PolarHBondContact O-N 3.44Å; T950-L963 HydrophobicContact CG2-CD2 4.29Å; T950-C981 PolarHBondContact OG1-SG 3.1Å; T950-A984 HydrophobicContact CG2-CB 3.86Å; T950-L985 HydrophobicContact CG2-CD2 3.72Å; T950-L985 HydrophobicContact CG2-CG 3.89Å
951	K	98.6	Very high	98.5	Very high	118 Å²	118	31.9 Å²	31.9	51%	0.513	19%	0.189	S	C	.	.	H	α-helix	trans	-64.4	-31.5	180	-173.6	175.6	178.1	179.6	0	113.1	G947 Y948 L949 L990	G947-K951 WeakPolarHBondContact O-CB 3.41Å; G947-K951 PolarHBondContact O-N 3.34Å; Y948-K951 PolarHBondContact O-N 3.26Å; L949-K951 VanDerWaalsContact C-N 3.32Å; L949-K951 PolarHBondContact O-N 3.05Å; K951-L990 HydrophobicContact CB-CD1 4.2Å; K951-L990 HydrophobicContact CD-CD1 3.93Å
952	Q	98.6	Very high	98.6	Very high	61 Å²	61	32 Å²	32	29%	0.285	19%	0.19	S	C	.	.	H	α-helix	trans	-69.6	-50	172.2	-73	-175.3	89.4	0	0	111.4	F904 M909 Y948 L949 T950 M954 G955	F904-Q952 HydrophobicContact CD1-CB 4.35Å; M909-Q952 HydrophobicContact CE-CB 4.23Å; M909-Q952 VanDerWaalsContact CE-O 3.31Å; M909-Q952 WeakPolarHBondContact CE-O 3.45Å; M909-Q952 HydrophobicContact CG-CB 4.36Å; M909-Q952 HydrophobicContact SD-CB 3.9Å; Y948-Q952 WeakPolarHBondContact O-CG 3.37Å; Y948-Q952 PolarHBondContact O-N 2.87Å; L949-Q952 PolarHBondContact O-N 3.49Å; L949-Q952 VanDerWaalsContact O-N 3.16Å; T950-Q952 VanDerWaalsContact C-N 3.31Å; T950-Q952 PolarHBondContact O-N 3.05Å; Q952-M954 PolarHBondContact O-N 3.05Å; Q952-G955 PolarHBondContact O-N 3.32Å
953	L	98.8	Very high	98.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63	-29	178.8	-61.9	-177.9	0	0	0	112.9	V830 W832 F904 M909 V922 L949 T950 G955 L956 I961	V830-L953 HydrophobicContact CB-CD1 4.1Å; V830-L953 HydrophobicContact CG1-CD1 4.28Å; V830-L953 HydrophobicContact CG2-CD1 3.98Å; V830-L953 HydrophobicContact CG2-CD2 3.96Å; W832-L953 HydrophobicContact CE3-CD1 4.27Å; W832-L953 HydrophobicContact CH2-CD1 4.47Å; W832-L953 HydrophobicContact CZ3-CD1 3.66Å; F904-L953 HydrophobicContact CE1-CD1 4.45Å; F904-L953 HydrophobicContact CE1-CD2 3.85Å; F904-L953 HydrophobicContact CE1-CG 3.96Å; F904-L953 HydrophobicContact CZ-CD2 4.48Å; M909-L953 HydrophobicContact SD-CD2 3.93Å; V922-L953 HydrophobicContact CG2-CD1 3.69Å; L949-L953 PolarHBondContact O-N 3.06Å; T950-L953 PolarHBondContact O-N 3.13Å; L953-G955 PolarHBondContact O-N 2.9Å; L953-G955 VanDerWaalsContact O-N 3.16Å; L953-L956 HydrophobicContact CD2-CD1 3.98Å; L953-L956 WeakPolarHBondContact O-CB 3.23Å; L953-L956 PolarHBondContact O-N 3.48Å; L953-I961 HydrophobicContact CB-CD1 3.47Å; L953-I961 VanDerWaalsContact CB-CD1 3.47Å; L953-I961 HydrophobicContact CD1-CD1 4.25Å
954	M	98.7	Very high	98.6	Very high	36 Å²	36	30 Å²	30	18%	0.177	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-14.3	171.5	-77.2	172.5	64.7	0	0	114.7	T950 Q952 L956 G959 I961 A984 L985	T950-M954 HydrophobicContact CG2-CG 4.47Å; T950-M954 HydrophobicContact CG2-SD 4.09Å; T950-M954 VanDerWaalsContact O-CG 3.26Å; T950-M954 WeakPolarHBondContact O-CG 3.42Å; T950-M954 PolarHBondContact O-N 3.44Å; Q952-M954 PolarHBondContact O-N 3.05Å; M954-L956 VanDerWaalsContact C-N 3.3Å; M954-G959 WeakPolarHBondContact O-CA 3.36Å; M954-I961 HydrophobicContact CG-CG2 3.85Å; M954-A984 WeakPolarHBondContact CE-O 3.41Å; M954-A984 VanDerWaalsContact SD-O 3.35Å; M954-L985 HydrophobicContact CG-CD2 4.31Å; M954-L985 HydrophobicContact SD-CD2 4.08Å
955	G	98.3	Very high	98.6	Very high	63 Å²	63	26 Å²	26	65%	0.649	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-19.9	170.7	0	0	0	0	0	113.7	Q952 L953	Q952-G955 PolarHBondContact O-N 3.32Å; L953-G955 PolarHBondContact O-N 2.9Å; L953-G955 VanDerWaalsContact O-N 3.16Å
956	L	98.7	Very high	98.6	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.037	16%	0.158	C	C	.	.	S	Bend	trans	-88.4	165.1	179.5	-54.4	168.5	0	0	0	111	L828 M909 A912 P917 V920 L953 M954 G958 G959	L828-L956 HydrophobicContact CD2-CD1 3.67Å; M909-L956 HydrophobicContact CE-CD1 4.22Å; M909-L956 HydrophobicContact CE-CD2 4.17Å; M909-L956 HydrophobicContact CE-CG 4.07Å; M909-L956 HydrophobicContact SD-CD1 4.39Å; A912-L956 HydrophobicContact CB-CD1 3.67Å; A912-L956 HydrophobicContact CB-CD2 4.27Å; P917-L956 HydrophobicContact CG-CB 4.27Å; V920-L956 HydrophobicContact CG2-CB 3.87Å; V920-L956 HydrophobicContact CG2-CD1 4.35Å; L953-L956 HydrophobicContact CD2-CD1 3.98Å; L953-L956 WeakPolarHBondContact O-CB 3.23Å; L953-L956 PolarHBondContact O-N 3.48Å; M954-L956 VanDerWaalsContact C-N 3.3Å; L956-G958 PolarHBondContact O-N 3.11Å; L956-G959 PolarHBondContact O-N 3.36Å
957	A	98.4	Very high	98.5	Very high	12 Å²	12	26.5 Å²	26.5	10%	0.099	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	52.3	21.2	173.5	0	0	0	0	0	116.1	P917 V920 G959 R960	P917-A957 VanDerWaalsContact O-CA 3.29Å; P917-A957 WeakPolarHBondContact O-CA 3.48Å; P917-A957 WeakPolarHBondContact O-CB 3.35Å; V920-A957 HydrophobicContact CG2-CB 3.91Å; A957-G959 PolarHBondContact O-N 2.99Å; A957-R960 HydrophobicContact CB-CB 4.29Å; A957-R960 WeakPolarHBondContact O-CB 3.25Å; A957-R960 VanDerWaalsContact O-CZ 3.25Å; A957-R960 PolarHBondContact O-N 2.93Å; A957-R960 PolarHBondContact O-NE 2.91Å; A957-R960 PolarHBondContact O-NH2 3.43Å
958	G	97.5	Very high	98.4	Very high	78 Å²	78	26.5 Å²	26.5	80%	0.804	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	62.3	24	-171.6	0	0	0	0	0	113.9	L956	L956-G958 PolarHBondContact O-N 3.11Å
959	G	98.1	Very high	98.2	Very high	9 Å²	9	24.4 Å²	24.4	9%	0.093	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	85.9	4.2	-176.5	0	0	0	0	0	115.4	M954 L956 A957 I961	M954-G959 WeakPolarHBondContact O-CA 3.36Å; L956-G959 PolarHBondContact O-N 3.36Å; A957-G959 PolarHBondContact O-N 2.99Å; G959-I961 VanDerWaalsContact C-N 3.3Å; G959-I961 PolarHBondContact O-N 2.88Å
960	R	98.8	Very high	98	Very high	92 Å²	92	27.3 Å²	27.3	35%	0.347	17%	0.169	S	C	.	.			trans	-73.3	82.3	174.1	-71	-175.2	-62.5	-89.4	-2.8	110.9	V778 D918 V920 A957	V778-R960 HydrophobicContact CG1-CB 4.03Å; V778-R960 HydrophobicContact CG1-CG 4.37Å; D918-R960 VanDerWaalsContact O-CZ 3.24Å; D918-R960 PolarHBondContact O-NE 3.06Å; D918-R960 PolarHBondContact O-NH2 3.2Å; V920-R960 PolarHBondContact N-O 3.32Å; A957-R960 HydrophobicContact CB-CB 4.29Å; A957-R960 WeakPolarHBondContact O-CB 3.25Å; A957-R960 VanDerWaalsContact O-CZ 3.25Å; A957-R960 PolarHBondContact O-N 2.93Å; A957-R960 PolarHBondContact O-NE 2.91Å; A957-R960 PolarHBondContact O-NH2 3.43Å
961	I	98.9	Very high	98	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.6	-178.9	-170.9	171.3	0	0	0	112	N785 G786 V920 V922 L953 M954 G959 L963 L985	N785-I961 CarbonylContact C-O 3.59Å; N785-I961 WeakPolarHBondContact CA-O 3.22Å; N785-I961 HydrophobicContact CB-CG2 3.68Å; N785-I961 VanDerWaalsContact CB-O 3.23Å; N785-I961 WeakPolarHBondContact CB-O 3.43Å; G786-I961 PolarHBondContact N-O 2.99Å; V920-I961 HydrophobicContact CB-CB 4.27Å; V920-I961 HydrophobicContact CB-CD1 4.43Å; V920-I961 HydrophobicContact CB-CG1 3.99Å; V920-I961 HydrophobicContact CG1-CD1 4.09Å; V920-I961 HydrophobicContact CG1-CG1 4.01Å; V920-I961 VanDerWaalsContact O-CA 3.28Å; V920-I961 WeakPolarHBondContact O-CA 3.45Å; V922-I961 HydrophobicContact CG2-CD1 3.93Å; V922-I961 HydrophobicContact CG2-CG1 4.13Å; L953-I961 HydrophobicContact CB-CD1 3.47Å; L953-I961 VanDerWaalsContact CB-CD1 3.47Å; L953-I961 HydrophobicContact CD1-CD1 4.25Å; M954-I961 HydrophobicContact CG-CG2 3.85Å; G959-I961 VanDerWaalsContact C-N 3.3Å; G959-I961 PolarHBondContact O-N 2.88Å; I961-L963 HydrophobicContact CD1-CD1 3.77Å; I961-L963 HydrophobicContact CG1-CD1 3.77Å; I961-L985 HydrophobicContact CG2-CD2 3.61Å
962	V	98.9	Very high	97.9	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.4	167.5	175.1	0	0	0	0	110.6	L774 V775 V778 G786 V920 L921 V922	L774-V962 HydrophobicContact CD2-CG1 3.71Å; L774-V962 HydrophobicContact CG-CG1 4.09Å; L774-V962 HydrophobicContact CG-CG2 4.25Å; V775-V962 HydrophobicContact CG2-CB 3.97Å; V775-V962 HydrophobicContact CG2-CG1 3.85Å; V775-V962 HydrophobicContact CG2-CG2 4.13Å; V778-V962 HydrophobicContact CB-CG2 3.83Å; V778-V962 HydrophobicContact CG1-CG2 4.13Å; V778-V962 HydrophobicContact CG2-CG2 3.64Å; G786-V962 WeakPolarHBondContact O-CA 3.29Å; V920-V962 PolarHBondContact O-N 3.13Å; L921-V962 CarbonylContact C-O 3.56Å; L921-V962 WeakPolarHBondContact CA-O 3.39Å; L921-V962 HydrophobicContact CD2-CB 4.26Å; V922-V962 PolarHBondContact N-O 2.92Å
963	L	98.9	Very high	97.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	138.2	168.8	-79.7	56.2	0	0	0	109	G786 F787 A788 W832 V922 T950 I961 C981 L985	G786-L963 PolarHBondContact O-N 3.31Å; F787-L963 CarbonylContact C-O 3.54Å; F787-L963 WeakPolarHBondContact CA-O 3.36Å; F787-L963 HydrophobicContact CD2-CB 3.47Å; F787-L963 VanDerWaalsContact CD2-CB 3.47Å; F787-L963 HydrophobicContact CD2-CD2 3.76Å; F787-L963 HydrophobicContact CD2-CG 4.28Å; F787-L963 HydrophobicContact CE2-CB 3.85Å; F787-L963 HydrophobicContact CE2-CD2 3.97Å; F787-L963 HydrophobicContact CG-CB 4.3Å; A788-L963 PolarHBondContact N-O 3.2Å; W832-L963 HydrophobicContact CH2-CD2 4.1Å; W832-L963 HydrophobicContact CH2-CG 4.42Å; W832-L963 HydrophobicContact CZ2-CD2 3.84Å; W832-L963 HydrophobicContact CZ2-CG 4.22Å; V922-L963 HydrophobicContact CB-CB 4.48Å; V922-L963 HydrophobicContact CB-CD1 3.97Å; V922-L963 HydrophobicContact CB-CG 3.88Å; V922-L963 HydrophobicContact CG1-CG 4.26Å; V922-L963 HydrophobicContact CG2-CD1 3.79Å; V922-L963 HydrophobicContact CG2-CG 4.24Å; T950-L963 HydrophobicContact CG2-CD2 4.29Å; I961-L963 HydrophobicContact CD1-CD1 3.77Å; I961-L963 HydrophobicContact CG1-CD1 3.77Å; L963-C981 HydrophobicContact CD2-CB 3.75Å; L963-L985 HydrophobicContact CD1-CD2 4.4Å
964	A	98.9	Very high	97.9	Very high	2 Å²	2	25.9 Å²	25.9	2%	0.017	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.7	171.1	0	0	0	0	0	110.1	V771 A788 V811 V922 S924 E966	V771-A964 HydrophobicContact CG1-CB 4.3Å; V771-A964 HydrophobicContact CG2-CB 3.82Å; A788-A964 HydrophobicContact CB-CB 4.2Å; V811-A964 HydrophobicContact CG2-CB 3.94Å; V922-A964 PolarHBondContact O-N 2.98Å; S924-A964 WeakPolarHBondContact CA-O 3.36Å; S924-A964 VanDerWaalsContact CB-O 3.26Å; S924-A964 WeakPolarHBondContact CB-O 3.26Å; S924-A964 PolarHBondContact N-O 3.01Å; A964-E966 PolarHBondContact O-N 2.88Å
965	L	98.9	Very high	97.9	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	126.4	-177.5	-176.1	72.1	0	0	0	111.5	I680 I683 F787 A788 F926	I680-L965 HydrophobicContact CG2-CD2 3.8Å; I683-L965 HydrophobicContact CD1-CD1 4.09Å; I683-L965 HydrophobicContact CD1-CD2 3.58Å; F787-L965 HydrophobicContact CE1-CB 4.48Å; F787-L965 HydrophobicContact CZ-CB 4.44Å; A788-L965 PolarHBondContact O-N 3.39Å; A788-L965 VanDerWaalsContact O-N 3.07Å; F926-L965 HydrophobicContact CD2-CD1 3.66Å; F926-L965 HydrophobicContact CE2-CD1 3.76Å
966	E	98.8	Very high	97.9	Very high	3 Å²	3	24.3 Å²	24.3	1%	0.014	15%	0.151	C	C	.	.			trans	-107.3	-109.6	172.9	-56.6	-75.9	-179	0	0	109.4	R679 P793 G794 H795 S923 S924 A964	R679-E966 PolarHBondContact NH1-O 2.9Å; R679-E966 PolarHBondContact NH2-O 2.91Å; P793-E966 HydrophobicContact CB-CB 4.34Å; G794-E966 PolarHBondContact N-OE2 2.71Å; H795-E966 HydrophobicContact CB-CG 4.47Å; H795-E966 IonicContact CD2-OE2 2.66Å; H795-E966 IonicContact CG-OE2 3.7Å; H795-E966 PolarHBondContact N-OE2 2.6Å; S923-E966 WeakPolarHBondContact CB-OE1 3.44Å; S923-E966 PolarHBondContact OG-OE1 2.73Å; S924-E966 PolarHBondContact O-N 3.05Å; A964-E966 PolarHBondContact O-N 2.88Å
967	G	95.1	Very high	97.9	Very high	7 Å²	7	24 Å²	24	7%	0.072	15%	0.149	C	C	.	.			trans	-80.4	-157.3	176.5	0	0	0	0	0	115.4	R679 D833 F926 D927	R679-G967 PolarHBondContact NH2-O 3.36Å; D833-G967 WeakPolarHBondContact OD2-CA 3.36Å; D833-G967 PolarHBondContact OD2-N 3.13Å; F926-G967 PolarHBondContact N-O 3.32Å; D927-G967 WeakPolarHBondContact OD2-CA 3.35Å
968	G	96.3	Very high	97.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.144	C	C	.	.			trans	83.9	127.5	-166.3	0	0	0	0	0	112.3	R679 D927 I974	R679-G968 VanDerWaalsContact CZ-O 3.25Å; R679-G968 PolarHBondContact NE-O 2.92Å; R679-G968 PolarHBondContact NH2-O 3.12Å; D927-G968 VanDerWaalsContact CG-N 3.27Å; D927-G968 PolarHBondContact OD2-N 2.84Å; G968-I974 VanDerWaalsContact C-CG2 3.43Å
969	H	94.3	Very high	98	Very high	19 Å²	19	22.6 Å²	22.6	9%	0.088	12%	0.119	C	C	.	.			trans	-128	-26.7	-166.5	-58.6	-67.7	0	0	0	115	P674 F805 H932 L971	P674-H969 HydrophobicContact CB-CB 4.13Å; P674-H969 WeakPolarHBondContact CB-ND1 3.3Å; P674-H969 PolarHBondContact O-ND1 3.22Å; F805-H969 AromaticContact CE2-CE1 3.77Å; F805-H969 AromaticContact CE2-NE2 3.88Å; H932-H969 PolarHBondContact NE2-N 3.16Å; H969-L971 PolarHBondContact O-N 3.39Å
970	D	96.6	Very high	98	Very high	60 Å²	60	23 Å²	23	32%	0.321	12%	0.121	S	C	.	.			trans	-71.6	125	171.4	178.1	72.4	0	0	0	110.3	H932 T972 A973 I974	H932-D970 PolarHBondContact NE2-N 3.36Å; D970-T972 PolarHBondContact O-N 2.95Å; D970-T972 VanDerWaalsContact OD2-CA 3.31Å; D970-T972 WeakPolarHBondContact OD2-CA 3.15Å; D970-T972 WeakPolarHBondContact OD2-CB 3.41Å; D970-T972 PolarHBondContact OD2-N 3.21Å; D970-T972 PolarHBondContact OD2-OG1 3.39Å; D970-A973 HydrophobicContact CB-CB 3.99Å; D970-A973 PolarHBondContact O-N 2.97Å; D970-A973 PolarHBondContact OD2-N 3.46Å; D970-I974 WeakPolarHBondContact O-CG1 3.41Å; D970-I974 WeakPolarHBondContact O-CG2 3.41Å; D970-I974 PolarHBondContact O-N 3.3Å
971	L	97.1	Very high	98	Very high	63 Å²	63	18.6 Å²	18.6	33%	0.33	11%	0.105	S	C	.	.	H	α-helix	trans	-67.4	-23.3	-173.3	-60.9	-178	0	0	0	113.1	R679 H969 I974 C975	R679-L971 HydrophobicContact CG-CD2 4.29Å; H969-L971 PolarHBondContact O-N 3.39Å; L971-I974 HydrophobicContact CD2-CD1 4.04Å; L971-C975 WeakPolarHBondContact O-CB 3.39Å; L971-C975 PolarHBondContact O-SG 2.92Å
972	T	97.9	Very high	98	Very high	80 Å²	80	18.5 Å²	18.5	49%	0.491	11%	0.105	S	C	.	.	H	α-helix	trans	-77.2	-54.9	175.4	-37.7	0	0	0	0	109.2	D970 I974 C975 D976	D970-T972 PolarHBondContact O-N 2.95Å; D970-T972 VanDerWaalsContact OD2-CA 3.31Å; D970-T972 WeakPolarHBondContact OD2-CA 3.15Å; D970-T972 WeakPolarHBondContact OD2-CB 3.41Å; D970-T972 PolarHBondContact OD2-N 3.21Å; D970-T972 PolarHBondContact OD2-OG1 3.39Å; T972-I974 PolarHBondContact O-N 3.32Å; T972-C975 PolarHBondContact O-N 2.89Å; T972-C975 VanDerWaalsContact O-N 3.1Å; T972-D976 PolarHBondContact O-N 3Å
973	A	98.1	Very high	98	Very high	6 Å²	6	19.4 Å²	19.4	5%	0.05	11%	0.111	C	C	.	.	H	α-helix	trans	-53.2	-49.1	-178.9	0	0	0	0	0	112.7	V929 D970 C975 A977	V929-A973 HydrophobicContact CB-CB 4.02Å; V929-A973 HydrophobicContact CG1-CB 3.66Å; D970-A973 HydrophobicContact CB-CB 3.99Å; D970-A973 PolarHBondContact O-N 2.97Å; D970-A973 PolarHBondContact OD2-N 3.46Å; A973-C975 PolarHBondContact O-N 3.06Å; A973-A977 VanDerWaalsContact O-CB 3.27Å; A973-A977 WeakPolarHBondContact O-CB 3.26Å; A973-A977 PolarHBondContact O-N 3.35Å
974	I	98.5	Very high	98	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-70.4	-30	-179.4	71.5	-173.8	0	0	0	113	R679 I683 F926 G968 D970 L971 T972 S978	R679-I974 HydrophobicContact CB-CD1 3.77Å; R679-I974 HydrophobicContact CG-CD1 3.94Å; I683-I974 HydrophobicContact CD1-CB 4.17Å; I683-I974 HydrophobicContact CD1-CD1 4.01Å; I683-I974 HydrophobicContact CD1-CG1 3.94Å; I683-I974 HydrophobicContact CG1-CB 4.49Å; I683-I974 HydrophobicContact CG1-CD1 4.32Å; I683-I974 HydrophobicContact CG1-CG1 3.96Å; F926-I974 HydrophobicContact CB-CB 4.45Å; F926-I974 HydrophobicContact CB-CG2 3.92Å; F926-I974 HydrophobicContact CD2-CB 4.26Å; F926-I974 HydrophobicContact CD2-CG2 4.5Å; G968-I974 VanDerWaalsContact C-CG2 3.43Å; D970-I974 WeakPolarHBondContact O-CG1 3.41Å; D970-I974 WeakPolarHBondContact O-CG2 3.41Å; D970-I974 PolarHBondContact O-N 3.3Å; L971-I974 HydrophobicContact CD2-CD1 4.04Å; T972-I974 PolarHBondContact O-N 3.32Å; I974-S978 WeakPolarHBondContact O-CB 3.43Å; I974-S978 PolarHBondContact O-N 3.13Å; I974-S978 PolarHBondContact O-OG 3.18Å
975	C	98.7	Very high	98	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.034	11%	0.112	C	C	.	.	H	α-helix	trans	-72.9	-46.2	176	-73.1	0	0	0	0	111.1	S682 I683 R686 L971 T972 A973 A977 S978 E979	S682-C975 VanDerWaalsContact CB-SG 3.56Å; S682-C975 PolarHBondContact O-SG 3.33Å; I683-C975 PolarHBondContact N-SG 3.47Å; R686-C975 HydrophobicContact CB-CB 4.1Å; R686-C975 HydrophobicContact CG-CB 4.19Å; L971-C975 WeakPolarHBondContact O-CB 3.39Å; L971-C975 PolarHBondContact O-SG 2.92Å; T972-C975 PolarHBondContact O-N 2.89Å; T972-C975 VanDerWaalsContact O-N 3.1Å; A973-C975 PolarHBondContact O-N 3.06Å; C975-A977 VanDerWaalsContact C-N 3.35Å; C975-S978 PolarHBondContact O-N 3.01Å; C975-E979 VanDerWaalsContact O-CB 3.28Å; C975-E979 WeakPolarHBondContact O-CB 3.18Å; C975-E979 PolarHBondContact O-N 3.01Å
976	D	98.6	Very high	98	Very high	62 Å²	62	20.9 Å²	20.9	33%	0.332	12%	0.119	S	C	.	.	H	α-helix	trans	-62.3	-42.7	178	-67.8	10.3	0	0	0	110.8	R686 A943 T972 E979 A980	R686-D976 IonicContact CZ-OD1 3.76Å; R686-D976 IonicContact NH1-OD1 3.13Å; R686-D976 PolarHBondContact NH1-OD1 2.97Å; R686-D976 IonicContact NH2-OD1 2.96Å; R686-D976 PolarHBondContact NH2-OD1 2.75Å; A943-D976 HydrophobicContact CB-CB 3.44Å; A943-D976 VanDerWaalsContact CB-CB 3.44Å; T972-D976 PolarHBondContact O-N 3Å; D976-E979 PolarHBondContact O-N 2.95Å; D976-A980 WeakPolarHBondContact O-CB 3.43Å; D976-A980 PolarHBondContact O-N 3.49Å
977	A	98.8	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-70.4	-41.6	178.7	0	0	0	0	0	112	F926 V929 A943 A973 C975 E979 A980 C981	F926-A977 HydrophobicContact CB-CB 4.32Å; F926-A977 HydrophobicContact CD1-CB 3.46Å; F926-A977 VanDerWaalsContact CD1-CB 3.46Å; F926-A977 HydrophobicContact CD2-CB 4.14Å; F926-A977 HydrophobicContact CE1-CB 3.66Å; F926-A977 HydrophobicContact CE2-CB 4.29Å; F926-A977 HydrophobicContact CG-CB 3.73Å; F926-A977 HydrophobicContact CZ-CB 4.07Å; V929-A977 HydrophobicContact CG2-CB 4.22Å; A943-A977 HydrophobicContact CB-CB 4.11Å; A973-A977 VanDerWaalsContact O-CB 3.27Å; A973-A977 WeakPolarHBondContact O-CB 3.26Å; A973-A977 PolarHBondContact O-N 3.35Å; C975-A977 VanDerWaalsContact C-N 3.35Å; A977-E979 VanDerWaalsContact C-N 3.3Å; A977-E979 PolarHBondContact O-N 3.39Å; A977-A980 PolarHBondContact O-N 3.46Å; A977-C981 WeakPolarHBondContact O-CB 3.45Å; A977-C981 PolarHBondContact O-N 3.46Å; A977-C981 PolarHBondContact O-SG 3.24Å
978	S	98.8	Very high	98.1	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	15%	0.153	C	C	.	.	H	α-helix	trans	-60.5	-40.1	172.7	-63.1	0	0	0	0	112.1	I683 F926 I974 C975 V982	I683-S978 WeakPolarHBondContact CG2-OG 3.37Å; F926-S978 WeakPolarHBondContact CE2-OG 3.46Å; I974-S978 WeakPolarHBondContact O-CB 3.43Å; I974-S978 PolarHBondContact O-N 3.13Å; I974-S978 PolarHBondContact O-OG 3.18Å; C975-S978 PolarHBondContact O-N 3.01Å; S978-V982 WeakPolarHBondContact O-CB 3.46Å; S978-V982 WeakPolarHBondContact O-CG2 3.25Å; S978-V982 PolarHBondContact O-N 3.04Å
979	E	98.8	Very high	98.1	Very high	59 Å²	59	34 Å²	34	28%	0.276	19%	0.194	S	C	.	.	H	α-helix	trans	-63	-47.7	175.6	-176.5	176.4	168.4	0	0	111.4	R686 T690 L692 C975 D976 A977 V982 S983	R686-E979 VanDerWaalsContact CD-OE2 3.25Å; R686-E979 WeakPolarHBondContact CD-OE2 3.24Å; R686-E979 HydrophobicContact CG-CB 4.38Å; R686-E979 WeakPolarHBondContact CG-OE2 3.39Å; R686-E979 IonicContact CZ-OE2 2.79Å; R686-E979 IonicContact NE-OE2 2.75Å; R686-E979 IonicContact NH1-OE2 3.47Å; R686-E979 PolarHBondContact NH1-OE2 3.22Å; T690-E979 HydrophobicContact CG2-CG 4.14Å; T690-E979 VanDerWaalsContact CG2-OE1 3.25Å; T690-E979 WeakPolarHBondContact CG2-OE1 3.35Å; T690-E979 WeakPolarHBondContact CG2-OE2 3.49Å; L692-E979 HydrophobicContact CD1-CB 4.48Å; L692-E979 HydrophobicContact CD1-CG 3.76Å; C975-E979 VanDerWaalsContact O-CB 3.28Å; C975-E979 WeakPolarHBondContact O-CB 3.18Å; C975-E979 PolarHBondContact O-N 3.01Å; D976-E979 PolarHBondContact O-N 2.95Å; A977-E979 VanDerWaalsContact C-N 3.3Å; A977-E979 PolarHBondContact O-N 3.39Å; E979-V982 PolarHBondContact O-N 3.42Å; E979-S983 WeakPolarHBondContact O-CB 3.41Å; E979-S983 PolarHBondContact O-N 3.01Å
980	A	98.7	Very high	98.2	Very high	17 Å²	17	34 Å²	34	14%	0.14	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-45.7	176.4	0	0	0	0	0	112.4	A943 D976 A977 S983 A984	A943-A980 VanDerWaalsContact O-CB 3.22Å; A943-A980 WeakPolarHBondContact O-CB 3.47Å; D976-A980 WeakPolarHBondContact O-CB 3.43Å; D976-A980 PolarHBondContact O-N 3.49Å; A977-A980 PolarHBondContact O-N 3.46Å; A980-S983 PolarHBondContact O-N 3.45Å; A980-A984 WeakPolarHBondContact O-CB 3.46Å; A980-A984 PolarHBondContact O-N 3.35Å
981	C	98.9	Very high	98.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-51.2	176.8	-71.3	0	0	0	0	112.2	F787 T950 L963 A977 S983 A984 L985	F787-C981 HydrophobicContact CD2-CB 4.35Å; F787-C981 HydrophobicContact CE2-CB 4.33Å; T950-C981 PolarHBondContact OG1-SG 3.1Å; L963-C981 HydrophobicContact CD2-CB 3.75Å; A977-C981 WeakPolarHBondContact O-CB 3.45Å; A977-C981 PolarHBondContact O-N 3.46Å; A977-C981 PolarHBondContact O-SG 3.24Å; C981-S983 VanDerWaalsContact C-N 3.28Å; C981-S983 PolarHBondContact O-N 2.94Å; C981-A984 WeakPolarHBondContact O-CB 3.45Å; C981-A984 PolarHBondContact O-N 2.97Å; C981-A984 VanDerWaalsContact O-N 3.17Å; C981-L985 WeakPolarHBondContact O-CG 3.31Å; C981-L985 PolarHBondContact O-N 3.19Å
982	V	98.8	Very high	98.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-34.2	179.3	174.1	0	0	0	0	111.4	L654 L687 L692 F787 S978 E979 L985 L986	L654-V982 HydrophobicContact CD2-CG1 4.19Å; L654-V982 HydrophobicContact CD2-CG2 3.85Å; L687-V982 HydrophobicContact CD1-CG2 4.15Å; L687-V982 HydrophobicContact CD2-CB 3.87Å; L687-V982 HydrophobicContact CD2-CG1 4.09Å; L687-V982 HydrophobicContact CD2-CG2 3.91Å; L692-V982 HydrophobicContact CB-CG1 4.13Å; L692-V982 HydrophobicContact CD1-CB 4.36Å; L692-V982 HydrophobicContact CD1-CG1 4.25Å; F787-V982 HydrophobicContact CB-CG2 3.81Å; F787-V982 HydrophobicContact CD1-CG2 4.47Å; F787-V982 HydrophobicContact CD2-CG2 4.3Å; F787-V982 HydrophobicContact CG-CG2 3.95Å; S978-V982 WeakPolarHBondContact O-CB 3.46Å; S978-V982 WeakPolarHBondContact O-CG2 3.25Å; S978-V982 PolarHBondContact O-N 3.04Å; E979-V982 PolarHBondContact O-N 3.42Å; V982-L985 PolarHBondContact O-N 3.39Å; V982-L986 HydrophobicContact CG1-CD1 4.14Å; V982-L986 WeakPolarHBondContact O-CG 3.38Å; V982-L986 PolarHBondContact O-N 3.38Å; V982-L986 VanDerWaalsContact O-N 3.14Å
983	S	98.7	Very high	98	Very high	22 Å²	22	35.9 Å²	35.9	15%	0.154	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-41.3	173.5	-165.4	0	0	0	0	112.3	E979 A980 C981 G987 N988	E979-S983 WeakPolarHBondContact O-CB 3.41Å; E979-S983 PolarHBondContact O-N 3.01Å; A980-S983 PolarHBondContact O-N 3.45Å; C981-S983 VanDerWaalsContact C-N 3.28Å; C981-S983 PolarHBondContact O-N 2.94Å; S983-G987 PolarHBondContact O-N 3.16Å; S983-N988 WeakPolarHBondContact CA-ND2 3.39Å; S983-N988 WeakPolarHBondContact O-CB 3.35Å; S983-N988 PolarHBondContact O-N 3.47Å; S983-N988 VanDerWaalsContact O-N 3.12Å; S983-N988 PolarHBondContact O-ND2 3Å; S983-N988 WeakPolarHBondContact OG-CB 3.4Å; S983-N988 PolarHBondContact OG-ND2 3.08Å
984	A	98.7	Very high	97.9	Very high	4 Å²	4	39 Å²	39	3%	0.033	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-47.8	173.6	0	0	0	0	0	112.1	G947 T950 M954 A980 C981 L986 G987 L990	G947-A984 WeakPolarHBondContact O-CB 3.4Å; T950-A984 HydrophobicContact CG2-CB 3.86Å; M954-A984 WeakPolarHBondContact CE-O 3.41Å; M954-A984 VanDerWaalsContact SD-O 3.35Å; A980-A984 WeakPolarHBondContact O-CB 3.46Å; A980-A984 PolarHBondContact O-N 3.35Å; C981-A984 WeakPolarHBondContact O-CB 3.45Å; C981-A984 PolarHBondContact O-N 2.97Å; C981-A984 VanDerWaalsContact O-N 3.17Å; A984-L986 VanDerWaalsContact C-N 3.3Å; A984-L986 PolarHBondContact O-N 3.29Å; A984-G987 WeakPolarHBondContact O-CA 3.37Å; A984-G987 PolarHBondContact O-N 2.91Å; A984-L990 HydrophobicContact CB-CD1 4.24Å; A984-L990 HydrophobicContact CB-CD2 4.02Å
985	L	98.8	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-56.8	-42.3	-179.9	-69.6	174	0	0	0	112.5	T652 K784 N785 G786 F787 T950 M954 I961 L963 C981 V982 G987	T652-L985 HydrophobicContact CG2-CB 3.71Å; T652-L985 HydrophobicContact CG2-CD1 4.04Å; T652-L985 VanDerWaalsContact OG1-C 3.24Å; T652-L985 PolarHBondContact OG1-O 3.05Å; K784-L985 PolarHBondContact NZ-O 3.17Å; N785-L985 HydrophobicContact CB-CD2 4.09Å; N785-L985 WeakPolarHBondContact ND2-CA 3.49Å; N785-L985 WeakPolarHBondContact ND2-CD2 3.49Å; N785-L985 PolarHBondContact ND2-O 2.93Å; G786-L985 WeakPolarHBondContact O-CD1 3.4Å; F787-L985 HydrophobicContact CB-CD1 3.99Å; T950-L985 HydrophobicContact CG2-CD2 3.72Å; T950-L985 HydrophobicContact CG2-CG 3.89Å; M954-L985 HydrophobicContact CG-CD2 4.31Å; M954-L985 HydrophobicContact SD-CD2 4.08Å; I961-L985 HydrophobicContact CG2-CD2 3.61Å; L963-L985 HydrophobicContact CD1-CD2 4.4Å; C981-L985 WeakPolarHBondContact O-CG 3.31Å; C981-L985 PolarHBondContact O-N 3.19Å; V982-L985 PolarHBondContact O-N 3.39Å; L985-G987 PolarHBondContact O-N 3.21Å
986	L	98.6	Very high	97.8	Very high	30 Å²	30	53.4 Å²	53.4	16%	0.157	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-17.5	174.8	-76.8	166.4	0	0	0	113.4	T652 L692 K695 V982 A984	T652-L986 PolarHBondContact OG1-N 3.15Å; L692-L986 HydrophobicContact CD2-CD1 3.89Å; K695-L986 HydrophobicContact CB-CD1 3.84Å; K695-L986 HydrophobicContact CB-CD2 3.77Å; K695-L986 HydrophobicContact CB-CG 4.48Å; K695-L986 HydrophobicContact CD-CD1 3.87Å; V982-L986 HydrophobicContact CG1-CD1 4.14Å; V982-L986 WeakPolarHBondContact O-CG 3.38Å; V982-L986 PolarHBondContact O-N 3.38Å; V982-L986 VanDerWaalsContact O-N 3.14Å; A984-L986 VanDerWaalsContact C-N 3.3Å; A984-L986 PolarHBondContact O-N 3.29Å
987	G	98	Very high	97.7	Very high	54 Å²	54	51.4 Å²	51.4	56%	0.557	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	26.7	-175.9	0	0	0	0	0	113.5	S983 A984 L985	S983-G987 PolarHBondContact O-N 3.16Å; A984-G987 WeakPolarHBondContact O-CA 3.37Å; A984-G987 PolarHBondContact O-N 2.91Å; L985-G987 PolarHBondContact O-N 3.21Å
988	N	98.1	Very high	97.6	Very high	45 Å²	45	53.6 Å²	53.6	24%	0.241	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-65.7	159.7	167.5	-55.4	-51.2	0	0	0	109.4	K695 S983	K695-N988 PolarHBondContact NZ-OD1 3.29Å; S983-N988 WeakPolarHBondContact CA-ND2 3.39Å; S983-N988 WeakPolarHBondContact O-CB 3.35Å; S983-N988 PolarHBondContact O-N 3.47Å; S983-N988 VanDerWaalsContact O-N 3.12Å; S983-N988 PolarHBondContact O-ND2 3Å; S983-N988 WeakPolarHBondContact OG-CB 3.4Å; S983-N988 PolarHBondContact OG-ND2 3.08Å
989	E	97	Very high	97.6	Very high	187 Å²	187	58.3 Å²	58.3	87%	0.874	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-66.1	137	163.7	-170.7	164.2	-157.5	0	0	109.4
990	L	96.6	Very high	97.5	Very high	20 Å²	20	58.6 Å²	58.6	11%	0.105	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-93.8	144.5	179.2	-63.2	179.9	0	0	0	109.6	G947 Y948 K951 A984	G947-L990 VanDerWaalsContact C-CD1 3.47Å; G947-L990 WeakPolarHBondContact O-CD1 3.34Å; Y948-L990 HydrophobicContact CD2-CD1 4.05Å; Y948-L990 HydrophobicContact CE2-CB 4.03Å; Y948-L990 HydrophobicContact CE2-CD1 4.24Å; Y948-L990 HydrophobicContact CG-CD1 4.34Å; K951-L990 HydrophobicContact CB-CD1 4.2Å; K951-L990 HydrophobicContact CD-CD1 3.93Å; A984-L990 HydrophobicContact CB-CD1 4.24Å; A984-L990 HydrophobicContact CB-CD2 4.02Å
991	E	93.8	Very high	97.5	Very high	130 Å²	130	64.6 Å²	64.6	61%	0.607	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-60.9	129.9	172.7	-66	-165.5	167.9	0	0	110.4	K944 L993	K944-E991 HydrophobicContact CD-CB 4.23Å; K944-E991 VanDerWaalsContact CE-OE2 3.31Å; K944-E991 WeakPolarHBondContact CE-OE2 3.34Å; K944-E991 IonicContact NZ-OE2 3.58Å; K944-E991 PolarHBondContact NZ-OE2 2.91Å; E991-L993 PolarHBondContact O-N 3.29Å
992	P	96.3	Very high	97.5	Very high	105 Å²	105	65 Å²	65	68%	0.682	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-51.9	135.6	179	-30.3	36.4	0	0	0	113.6	Y948	Y948-P992 WeakPolarHBondContact OH-CA 3.45Å
993	L	97	Very high	97.5	Very high	7 Å²	7	66 Å²	66	4%	0.037	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-58.9	144.1	164.8	-63.2	175.8	0	0	0	109.6	L901 K944 Y948 E991 V997 L998	L901-L993 HydrophobicContact CD1-CD1 3.58Å; K944-L993 HydrophobicContact CB-CD2 4.2Å; Y948-L993 HydrophobicContact CD1-CD1 4.34Å; Y948-L993 HydrophobicContact CD2-CD1 4.24Å; Y948-L993 HydrophobicContact CD2-CD2 3.85Å; Y948-L993 HydrophobicContact CD2-CG 3.86Å; Y948-L993 HydrophobicContact CE1-CD1 4.48Å; Y948-L993 HydrophobicContact CE1-CG 4.42Å; Y948-L993 HydrophobicContact CE2-CD1 4.39Å; Y948-L993 HydrophobicContact CE2-CD2 3.94Å; Y948-L993 HydrophobicContact CE2-CG 3.67Å; Y948-L993 HydrophobicContact CG-CD1 4.22Å; Y948-L993 HydrophobicContact CG-CG 4.32Å; E991-L993 PolarHBondContact O-N 3.29Å; L993-V997 HydrophobicContact CD1-CG1 4.49Å; L993-L998 HydrophobicContact CB-CD2 4Å; L993-L998 HydrophobicContact CB-CG 4.39Å; L993-L998 HydrophobicContact CD1-CD2 4.17Å
994	P	96.5	Very high	97.4	Very high	70 Å²	70	68.7 Å²	68.7	46%	0.455	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-57.8	140.3	177.7	-23.5	33.6	0	0	0	112	K996 V997 L998	P994-K996 PolarHBondContact O-N 3.39Å; P994-K996 VanDerWaalsContact O-N 3.08Å; P994-V997 HydrophobicContact CB-CG2 4.35Å; P994-V997 HydrophobicContact CG-CG2 4.36Å; P994-V997 WeakPolarHBondContact O-CA 3.31Å; P994-V997 WeakPolarHBondContact O-CB 3.18Å; P994-V997 PolarHBondContact O-N 2.92Å; P994-L998 PolarHBondContact O-N 3.37Å
995	E	96.7	Very high	97.4	Very high	148 Å²	148	70.8 Å²	70.8	69%	0.692	37%	0.374	S	S	*	.	H	α-helix	trans	-52.7	-35.5	178.8	-174.1	174.7	-159.8	0	0	112.7	V997 L998 H999	E995-V997 VanDerWaalsContact C-N 3.31Å; E995-V997 PolarHBondContact O-N 3.01Å; E995-L998 PolarHBondContact O-N 3.46Å; E995-H999 PolarHBondContact O-CD2 3.04Å; E995-H999 PolarHBondContact O-N 3.39Å; E995-H999 VanDerWaalsContact O-N 3.08Å
996	K	96.9	Very high	97.4	Very high	161 Å²	161	70.8 Å²	70.8	70%	0.7	37%	0.374	S	S	*	.	H	α-helix	trans	-52.4	-45.6	171.1	-175.4	-165	169.5	-162.7	0	112.5	P994 Q1000	P994-K996 PolarHBondContact O-N 3.39Å; P994-K996 VanDerWaalsContact O-N 3.08Å; K996-Q1000 VanDerWaalsContact O-CB 3.27Å; K996-Q1000 WeakPolarHBondContact O-CB 3.41Å; K996-Q1000 PolarHBondContact O-N 3.41Å
997	V	97.1	Very high	97.4	Very high	20 Å²	20	70.4 Å²	70.4	12%	0.121	37%	0.373	C	S	.	.	H	α-helix	trans	-68.2	-43	-179.5	172.5	0	0	0	0	110.6	D897 L901 L993 P994 E995 H999 Q1000	D897-V997 HydrophobicContact CB-CG1 3.44Å; D897-V997 VanDerWaalsContact CB-CG1 3.44Å; D897-V997 HydrophobicContact CB-CG2 4.31Å; L901-V997 HydrophobicContact CD1-CG1 4.24Å; L993-V997 HydrophobicContact CD1-CG1 4.49Å; P994-V997 HydrophobicContact CB-CG2 4.35Å; P994-V997 HydrophobicContact CG-CG2 4.36Å; P994-V997 WeakPolarHBondContact O-CA 3.31Å; P994-V997 WeakPolarHBondContact O-CB 3.18Å; P994-V997 PolarHBondContact O-N 2.92Å; E995-V997 VanDerWaalsContact C-N 3.31Å; E995-V997 PolarHBondContact O-N 3.01Å; V997-H999 PolarHBondContact O-N 2.93Å; V997-Q1000 PolarHBondContact O-N 3.14Å; V997-Q1000 VanDerWaalsContact O-N 3.15Å
998	L	97.2	Very high	97.4	Very high	45 Å²	45	73.1 Å²	73.1	24%	0.236	37%	0.371	C	S	.	.	H	α-helix	trans	-61.7	-34.4	-179.7	-58.9	177.9	0	0	0	112.5	L993 P994 E995 L1035 I1036	L993-L998 HydrophobicContact CB-CD2 4Å; L993-L998 HydrophobicContact CB-CG 4.39Å; L993-L998 HydrophobicContact CD1-CD2 4.17Å; P994-L998 PolarHBondContact O-N 3.37Å; E995-L998 PolarHBondContact O-N 3.46Å; L998-L1035 HydrophobicContact CD2-CD2 3.81Å; L998-L1035 PolarHBondContact O-N 2.66Å; L998-I1036 HydrophobicContact CB-CD1 4.27Å; L998-I1036 HydrophobicContact CB-CG1 3.85Å; L998-I1036 WeakPolarHBondContact O-CG1 3.19Å; L998-I1036 PolarHBondContact O-N 3.31Å; L998-I1036 VanDerWaalsContact O-N 3.16Å
999	H	97.9	Very high	97.4	Very high	100 Å²	100	71.1 Å²	71.1	46%	0.463	36%	0.36	S	S	.	.	H	α-helix	trans	-92.9	-7.3	176.4	-77.8	-82	0	0	0	114.9	E995 V997 R1001	E995-H999 PolarHBondContact O-CD2 3.04Å; E995-H999 PolarHBondContact O-N 3.39Å; E995-H999 VanDerWaalsContact O-N 3.08Å; V997-H999 PolarHBondContact O-N 2.93Å; H999-R1001 PolarHBondContact O-N 2.94Å
1000	Q	97.9	Very high	97.5	Very high	66 Å²	66	62.2 Å²	62.2	31%	0.308	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-75.6	124.9	177.7	177.6	171.6	-35.5	0	0	109.5	A898 K996 V997 S1034	A898-Q1000 HydrophobicContact CB-CB 3.9Å; A898-Q1000 HydrophobicContact CB-CG 3.61Å; K996-Q1000 VanDerWaalsContact O-CB 3.27Å; K996-Q1000 WeakPolarHBondContact O-CB 3.41Å; K996-Q1000 PolarHBondContact O-N 3.41Å; V997-Q1000 PolarHBondContact O-N 3.14Å; V997-Q1000 VanDerWaalsContact O-N 3.15Å; Q1000-S1034 VanDerWaalsContact C-CB 3.49Å; Q1000-S1034 WeakPolarHBondContact O-CA 3.49Å; Q1000-S1034 WeakPolarHBondContact O-CB 3.4Å
1001	R	98.3	Very high	97.6	Very high	143 Å²	143	65.6 Å²	65.6	54%	0.54	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-74	144.2	165.6	-69.7	-177.4	175.7	-168.2	2	109.2	H999 G1032 E1037	H999-R1001 PolarHBondContact O-N 2.94Å; R1001-G1032 VanDerWaalsContact CD-O 3.31Å; R1001-G1032 WeakPolarHBondContact CD-O 3.47Å; R1001-G1032 WeakPolarHBondContact CG-O 3.49Å; R1001-E1037 VanDerWaalsContact CG-OE2 3.26Å; R1001-E1037 WeakPolarHBondContact CG-OE2 3.3Å; R1001-E1037 IonicContact CZ-OE1 3.54Å; R1001-E1037 VanDerWaalsContact CZ-OE1 3.27Å; R1001-E1037 IonicContact CZ-OE2 3.83Å; R1001-E1037 IonicContact NE-OE1 3.57Å; R1001-E1037 PolarHBondContact NE-OE1 3.18Å; R1001-E1037 IonicContact NE-OE2 3.55Å; R1001-E1037 PolarHBondContact NE-OE2 3.06Å; R1001-E1037 IonicContact NH2-OE1 3.55Å; R1001-E1037 PolarHBondContact NH2-OE1 3.39Å; R1001-E1037 IonicContact NH2-OE2 2.73Å
1002	P	98.4	Very high	97.8	Very high	9 Å²	9	63.1 Å²	63.1	6%	0.058	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-59	142.4	171	27.5	-35.6	0	0	0	110.2	E899 A902 A1006 V1007 M1010 V1031	E899-P1002 HydrophobicContact CG-CB 4.14Å; A902-P1002 HydrophobicContact CB-CB 3.94Å; A902-P1002 HydrophobicContact CB-CG 3.77Å; P1002-A1006 HydrophobicContact CB-CB 4.33Å; P1002-V1007 HydrophobicContact CB-CG2 4.26Å; P1002-V1007 HydrophobicContact CG-CG2 3.85Å; P1002-M1010 HydrophobicContact CB-CE 3.98Å; P1002-M1010 HydrophobicContact CG-CE 4.13Å; P1002-V1031 WeakPolarHBondContact CG-O 3.4Å
1003	N	98.3	Very high	97.9	Very high	20 Å²	20	58.1 Å²	58.1	11%	0.107	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-65.4	163.2	179.5	73.5	68	0	0	0	113.1	P893 M895 E899 N1005 A1006 V1007	P893-N1003 HydrophobicContact CG-CB 3.74Å; M895-N1003 PolarHBondContact SD-ND2 3.4Å; E899-N1003 VanDerWaalsContact CG-ND2 3.29Å; E899-N1003 WeakPolarHBondContact CG-ND2 3.39Å; E899-N1003 PolarHBondContact OE1-N 3.14Å; E899-N1003 PolarHBondContact OE1-ND2 3.08Å; N1003-N1005 VanDerWaalsContact C-N 3.29Å; N1003-N1005 PolarHBondContact O-N 2.93Å; N1003-N1005 WeakPolarHBondContact OD1-CB 3.49Å; N1003-N1005 PolarHBondContact OD1-N 3.34Å; N1003-A1006 WeakPolarHBondContact O-CB 3.31Å; N1003-A1006 PolarHBondContact O-N 2.88Å; N1003-A1006 VanDerWaalsContact O-N 3.15Å; N1003-A1006 PolarHBondContact OD1-N 3.45Å; N1003-V1007 WeakPolarHBondContact O-CG2 3.35Å; N1003-V1007 PolarHBondContact O-N 3.23Å
1004	A	98.3	Very high	97.9	Very high	79 Å²	79	58.1 Å²	58.1	65%	0.653	29%	0.288	S	S	*	.	H	α-helix	trans	-60.4	-33.7	-173.2	0	0	0	0	0	114.1	V1007 H1008	A1004-V1007 PolarHBondContact O-N 3.42Å; A1004-H1008 WeakPolarHBondContact O-CB 3.49Å; A1004-H1008 PolarHBondContact O-N 2.9Å
1005	N	98.5	Very high	97.9	Very high	48 Å²	48	56.9 Å²	56.9	26%	0.257	29%	0.288	S	S	.	.	H	α-helix	trans	-71.5	-39.5	178.5	-69.2	-22.4	0	0	0	111.3	G889 D892 M895 N1003 S1009	G889-N1005 PolarHBondContact O-ND2 3.26Å; D892-N1005 PolarHBondContact O-ND2 3.32Å; M895-N1005 HydrophobicContact CE-CB 3.96Å; N1003-N1005 VanDerWaalsContact C-N 3.29Å; N1003-N1005 PolarHBondContact O-N 2.93Å; N1003-N1005 WeakPolarHBondContact OD1-CB 3.49Å; N1003-N1005 PolarHBondContact OD1-N 3.34Å; N1005-S1009 WeakPolarHBondContact O-CB 3.39Å; N1005-S1009 PolarHBondContact O-N 3.35Å; N1005-S1009 PolarHBondContact O-OG 2.98Å
1006	A	98.6	Very high	97.9	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-42.5	171.2	0	0	0	0	0	112.4	F887 M895 E899 P1002 N1003 S1009 M1010	F887-A1006 HydrophobicContact CD1-CB 4.34Å; F887-A1006 HydrophobicContact CE1-CB 4.08Å; M895-A1006 HydrophobicContact CE-CB 4.31Å; M895-A1006 HydrophobicContact SD-CB 3.79Å; E899-A1006 HydrophobicContact CB-CB 3.85Å; E899-A1006 HydrophobicContact CG-CB 3.38Å; P1002-A1006 HydrophobicContact CB-CB 4.33Å; N1003-A1006 WeakPolarHBondContact O-CB 3.31Å; N1003-A1006 PolarHBondContact O-N 2.88Å; N1003-A1006 VanDerWaalsContact O-N 3.15Å; N1003-A1006 PolarHBondContact OD1-N 3.45Å; A1006-S1009 PolarHBondContact O-N 3.48Å; A1006-M1010 HydrophobicContact CB-CE 4.14Å; A1006-M1010 WeakPolarHBondContact O-CB 3.37Å; A1006-M1010 VanDerWaalsContact O-CE 3.28Å; A1006-M1010 WeakPolarHBondContact O-CE 3.25Å; A1006-M1010 WeakPolarHBondContact O-CG 3.48Å; A1006-M1010 PolarHBondContact O-N 2.96Å
1007	V	98.4	Very high	98	Very high	22 Å²	22	44.4 Å²	44.4	13%	0.133	23%	0.233	C	C	.	.	H	α-helix	trans	-59.8	-50.4	175.1	172.5	0	0	0	0	110.7	P1002 N1003 A1004 S1009 M1010 E1011 V1031	P1002-V1007 HydrophobicContact CB-CG2 4.26Å; P1002-V1007 HydrophobicContact CG-CG2 3.85Å; N1003-V1007 WeakPolarHBondContact O-CG2 3.35Å; N1003-V1007 PolarHBondContact O-N 3.23Å; A1004-V1007 PolarHBondContact O-N 3.42Å; V1007-S1009 VanDerWaalsContact C-N 3.33Å; V1007-S1009 PolarHBondContact O-N 3.09Å; V1007-M1010 PolarHBondContact O-N 2.87Å; V1007-E1011 HydrophobicContact CG1-CG 4.3Å; V1007-E1011 WeakPolarHBondContact O-CB 3.44Å; V1007-E1011 WeakPolarHBondContact O-CG 3.34Å; V1007-E1011 PolarHBondContact O-N 2.95Å; V1007-V1031 HydrophobicContact CB-CG1 4.38Å; V1007-V1031 HydrophobicContact CG1-CG1 4.04Å; V1007-V1031 HydrophobicContact CG2-CG1 4.4Å
1008	H	98	Very high	98	Very high	111 Å²	111	45.3 Å²	45.3	51%	0.514	24%	0.241	S	C	.	.	H	α-helix	trans	-61.2	-40.2	177.9	-176.2	55.9	0	0	0	112.6	A1004 E1011 K1012	A1004-H1008 WeakPolarHBondContact O-CB 3.49Å; A1004-H1008 PolarHBondContact O-N 2.9Å; H1008-E1011 PolarHBondContact O-N 3.33Å; H1008-K1012 WeakPolarHBondContact O-CB 3.46Å; H1008-K1012 PolarHBondContact O-N 3.39Å
1009	S	98.6	Very high	97.9	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-48.4	175.5	-59.5	0	0	0	0	111.4	T888 N1005 A1006 V1007 K1012 V1013	T888-S1009 PolarHBondContact N-OG 3.03Å; T888-S1009 PolarHBondContact O-OG 3.45Å; N1005-S1009 WeakPolarHBondContact O-CB 3.39Å; N1005-S1009 PolarHBondContact O-N 3.35Å; N1005-S1009 PolarHBondContact O-OG 2.98Å; A1006-S1009 PolarHBondContact O-N 3.48Å; V1007-S1009 VanDerWaalsContact C-N 3.33Å; V1007-S1009 PolarHBondContact O-N 3.09Å; S1009-K1012 PolarHBondContact O-N 3.43Å; S1009-V1013 VanDerWaalsContact O-CG2 3.28Å; S1009-V1013 WeakPolarHBondContact O-CG2 3.38Å; S1009-V1013 PolarHBondContact O-N 2.83Å; S1009-V1013 VanDerWaalsContact O-N 3.11Å
1010	M	98.5	Very high	97.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.1	-44.6	176	-76.7	-178.4	-81	0	0	112	M885 A902 A903 T906 P1002 A1006 V1007 K1012 V1013 M1014 V1031	M885-M1010 HydrophobicContact CE-CG 3.92Å; M885-M1010 HydrophobicContact SD-CG 3.76Å; A902-M1010 HydrophobicContact CB-CE 3.77Å; A902-M1010 HydrophobicContact CB-SD 3.89Å; A903-M1010 VanDerWaalsContact CA-SD 3.51Å; A903-M1010 HydrophobicContact CB-CG 4.23Å; A903-M1010 HydrophobicContact CB-SD 3.97Å; A903-M1010 PolarHBondContact N-SD 3.28Å; A903-M1010 VanDerWaalsContact N-SD 3.38Å; T906-M1010 PolarHBondContact OG1-SD 3.45Å; P1002-M1010 HydrophobicContact CB-CE 3.98Å; P1002-M1010 HydrophobicContact CG-CE 4.13Å; A1006-M1010 HydrophobicContact CB-CE 4.14Å; A1006-M1010 WeakPolarHBondContact O-CB 3.37Å; A1006-M1010 VanDerWaalsContact O-CE 3.28Å; A1006-M1010 WeakPolarHBondContact O-CE 3.25Å; A1006-M1010 WeakPolarHBondContact O-CG 3.48Å; A1006-M1010 PolarHBondContact O-N 2.96Å; V1007-M1010 PolarHBondContact O-N 2.87Å; M1010-K1012 PolarHBondContact O-N 3.15Å; M1010-V1013 PolarHBondContact O-N 3.39Å; M1010-M1014 WeakPolarHBondContact O-CB 3.1Å; M1010-M1014 WeakPolarHBondContact O-CG 3.49Å; M1010-M1014 PolarHBondContact O-N 3.07Å; M1010-V1031 HydrophobicContact CB-CG1 3.56Å; M1010-V1031 HydrophobicContact CE-CG1 3.79Å; M1010-V1031 HydrophobicContact CG-CG1 4.35Å; M1010-V1031 HydrophobicContact SD-CG1 3.93Å
1011	E	97.5	Very high	97.9	Very high	91 Å²	91	47 Å²	47	43%	0.425	24%	0.244	S	C	.	.	H	α-helix	trans	-61.6	-40.8	177.8	-74.5	174.6	165	0	0	112.3	V1007 H1008 G1015 V1031	V1007-E1011 HydrophobicContact CG1-CG 4.3Å; V1007-E1011 WeakPolarHBondContact O-CB 3.44Å; V1007-E1011 WeakPolarHBondContact O-CG 3.34Å; V1007-E1011 PolarHBondContact O-N 2.95Å; H1008-E1011 PolarHBondContact O-N 3.33Å; E1011-G1015 PolarHBondContact O-N 3.32Å; E1011-V1031 HydrophobicContact CG-CB 4.49Å; E1011-V1031 HydrophobicContact CG-CG1 4.34Å
1012	K	97.9	Very high	97.8	Very high	77 Å²	77	50 Å²	50	34%	0.335	26%	0.255	S	S	.	.	H	α-helix	trans	-60.9	-48.7	175.2	-178.4	179.6	176.1	-172.5	0	111.4	P870 H1008 S1009 M1010 G1015 I1016	P870-K1012 HydrophobicContact CB-CD 4.38Å; P870-K1012 HydrophobicContact CB-CG 4.3Å; P870-K1012 HydrophobicContact CG-CD 4.04Å; P870-K1012 HydrophobicContact CG-CG 4.43Å; H1008-K1012 WeakPolarHBondContact O-CB 3.46Å; H1008-K1012 PolarHBondContact O-N 3.39Å; S1009-K1012 PolarHBondContact O-N 3.43Å; M1010-K1012 PolarHBondContact O-N 3.15Å; K1012-G1015 PolarHBondContact O-N 3.46Å; K1012-I1016 HydrophobicContact CG-CD1 4.37Å; K1012-I1016 WeakPolarHBondContact O-CG1 3.37Å; K1012-I1016 PolarHBondContact O-N 3.37Å
1013	V	98.5	Very high	97.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.1	-44.7	178.9	174.7	0	0	0	0	111.1	P870 V883 N884 M885 V907 S1009 M1010 G1015 I1016 H1017	P870-V1013 HydrophobicContact CB-CG2 3.98Å; P870-V1013 HydrophobicContact CG-CG2 4.15Å; V883-V1013 HydrophobicContact CG1-CG1 4.28Å; N884-V1013 WeakPolarHBondContact O-CG2 3.47Å; M885-V1013 HydrophobicContact CE-CG2 4.22Å; M885-V1013 HydrophobicContact SD-CG2 4.39Å; V907-V1013 HydrophobicContact CG1-CG1 3.98Å; V907-V1013 HydrophobicContact CG2-CG1 4.48Å; S1009-V1013 VanDerWaalsContact O-CG2 3.28Å; S1009-V1013 WeakPolarHBondContact O-CG2 3.38Å; S1009-V1013 PolarHBondContact O-N 2.83Å; S1009-V1013 VanDerWaalsContact O-N 3.11Å; M1010-V1013 PolarHBondContact O-N 3.39Å; V1013-G1015 VanDerWaalsContact C-N 3.34Å; V1013-G1015 PolarHBondContact O-N 2.95Å; V1013-I1016 PolarHBondContact O-N 3.06Å; V1013-H1017 WeakPolarHBondContact O-CB 3.44Å; V1013-H1017 PolarHBondContact O-CD2 3.26Å; V1013-H1017 PolarHBondContact O-N 3.18Å
1014	M	97.6	Very high	97.4	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.039	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-37.2	177	-71.2	179.2	72.8	0	0	112.5	V907 M1010 S1018 L1024 L1027 V1031	V907-M1014 HydrophobicContact CG2-CG 3.78Å; V907-M1014 HydrophobicContact CG2-SD 4.36Å; M1010-M1014 WeakPolarHBondContact O-CB 3.1Å; M1010-M1014 WeakPolarHBondContact O-CG 3.49Å; M1010-M1014 PolarHBondContact O-N 3.07Å; M1014-S1018 VanDerWaalsContact O-CB 3.25Å; M1014-S1018 WeakPolarHBondContact O-CB 3.47Å; M1014-S1018 PolarHBondContact O-N 3.01Å; M1014-L1024 HydrophobicContact CE-CB 4.43Å; M1014-L1024 HydrophobicContact CE-CD2 4.33Å; M1014-L1024 HydrophobicContact CG-CD2 4.36Å; M1014-L1027 HydrophobicContact CE-CB 3.67Å; M1014-V1031 HydrophobicContact CE-CG2 4.3Å; M1014-V1031 HydrophobicContact SD-CG2 3.48Å; M1014-V1031 WeakPolarHBondContact SD-CG2 3.46Å
1015	G	96.7	Very high	96.7	Very high	44 Å²	44	52.5 Å²	52.5	45%	0.454	25%	0.253	S	S	.	.	H	α-helix	trans	-58.9	-53.1	175	0	0	0	0	0	111.6	E1011 K1012 V1013 S1018	E1011-G1015 PolarHBondContact O-N 3.32Å; K1012-G1015 PolarHBondContact O-N 3.46Å; V1013-G1015 VanDerWaalsContact C-N 3.34Å; V1013-G1015 PolarHBondContact O-N 2.95Å; G1015-S1018 PolarHBondContact O-N 2.99Å; G1015-S1018 PolarHBondContact O-OG 3.02Å
1016	I	97.7	Very high	96	Very high	45 Å²	45	59.3 Å²	59.3	23%	0.231	28%	0.276	C	S	.	.	H	α-helix	trans	-60.6	-52	178.4	-66.2	166.4	0	0	0	110.9	P870 D871 V873 K1012 V1013 S1018	P870-I1016 HydrophobicContact CB-CD1 3.71Å; P870-I1016 WeakPolarHBondContact O-CD1 3.3Å; D871-I1016 HydrophobicContact CB-CD1 4.37Å; V873-I1016 HydrophobicContact CG1-CG2 3.53Å; K1012-I1016 HydrophobicContact CG-CD1 4.37Å; K1012-I1016 WeakPolarHBondContact O-CG1 3.37Å; K1012-I1016 PolarHBondContact O-N 3.37Å; V1013-I1016 PolarHBondContact O-N 3.06Å; I1016-S1018 VanDerWaalsContact C-N 3.26Å; I1016-S1018 PolarHBondContact O-N 3.35Å
1017	H	98.3	Very high	95.4	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-75.3	-9.2	-175	-78.5	-76.9	0	0	0	114.8	N882 V1013 E1019 Y1020 W1021 L1024	N882-H1017 PolarHBondContact O-CE1 3.11Å; V1013-H1017 WeakPolarHBondContact O-CB 3.44Å; V1013-H1017 PolarHBondContact O-CD2 3.26Å; V1013-H1017 PolarHBondContact O-N 3.18Å; H1017-E1019 PolarHBondContact O-N 3.15Å; H1017-Y1020 AromaticContact ND1-CD2 3.84Å; H1017-Y1020 PolarHBondContact O-N 2.88Å; H1017-W1021 AromaticContact ND1-CD1 3.91Å; H1017-W1021 AromaticContact ND1-NE1 3.96Å; H1017-W1021 PolarHBondContact O-N 3.5Å; H1017-L1024 HydrophobicContact CB-CD1 3.46Å; H1017-L1024 VanDerWaalsContact CB-CD1 3.46Å
1018	S	96.7	Very high	94.5	Very high	39 Å²	39	63.6 Å²	63.6	27%	0.273	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.4	176.7	71.7	0	0	0	0	114.4	M1014 G1015 I1016 Q1025	M1014-S1018 VanDerWaalsContact O-CB 3.25Å; M1014-S1018 WeakPolarHBondContact O-CB 3.47Å; M1014-S1018 PolarHBondContact O-N 3.01Å; G1015-S1018 PolarHBondContact O-N 2.99Å; G1015-S1018 PolarHBondContact O-OG 3.02Å; I1016-S1018 VanDerWaalsContact C-N 3.26Å; I1016-S1018 PolarHBondContact O-N 3.35Å; S1018-Q1025 PolarHBondContact O-NE2 3.29Å
1019	E	96	Very high	93.9	Very high	147 Å²	147	63.1 Å²	63.1	69%	0.687	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-30.1	169.5	-63.1	-168.3	161.5	0	0	112.6	H1017	H1017-E1019 PolarHBondContact O-N 3.15Å
1020	Y	97.4	Very high	93.6	Very high	85 Å²	85	64.5 Å²	64.5	33%	0.333	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-31.7	-169.3	-41.8	-49.4	0	0	0	112.9	V873 V879 H1017	V873-Y1020 HydrophobicContact CB-CE2 4.2Å; V873-Y1020 HydrophobicContact CG1-CE2 4.2Å; V873-Y1020 HydrophobicContact CG2-CE2 4.24Å; V879-Y1020 HydrophobicContact CG1-CE1 4.17Å; H1017-Y1020 AromaticContact ND1-CD2 3.84Å; H1017-Y1020 PolarHBondContact O-N 2.88Å
1021	W	97.8	Very high	93.4	Very high	16 Å²	16	64.6 Å²	64.6	6%	0.061	32%	0.318	C	S	.	.			trans	-120.8	118.8	-172.4	-59.7	99.1	0	0	0	112.1	L851 G880 F881 I911 E914 F915 H1017 C1023 L1024	L851-W1021 HydrophobicContact CD1-CZ2 4.22Å; L851-W1021 HydrophobicContact CD2-CH2 4.46Å; G880-W1021 PolarHBondContact O-NE1 3.46Å; F881-W1021 HydrophobicContact CD1-CH2 4.26Å; F881-W1021 HydrophobicContact CD1-CZ2 4.19Å; F881-W1021 HydrophobicContact CE1-CH2 4.06Å; F881-W1021 HydrophobicContact CE1-CZ2 4.32Å; I911-W1021 HydrophobicContact CB-CD2 4.43Å; I911-W1021 HydrophobicContact CD1-CG 4.42Å; I911-W1021 HydrophobicContact CG1-CB 4.19Å; I911-W1021 HydrophobicContact CG1-CD2 4.33Å; I911-W1021 HydrophobicContact CG1-CG 3.97Å; I911-W1021 HydrophobicContact CG2-CD2 3.67Å; I911-W1021 HydrophobicContact CG2-CE3 3.99Å; I911-W1021 HydrophobicContact CG2-CG 4.15Å; I911-W1021 HydrophobicContact CG2-CH2 4.17Å; I911-W1021 HydrophobicContact CG2-CZ2 3.85Å; I911-W1021 HydrophobicContact CG2-CZ3 4.23Å; E914-W1021 HydrophobicContact CB-CE3 3.97Å; E914-W1021 HydrophobicContact CB-CZ3 4.23Å; E914-W1021 HydrophobicContact CG-CE3 3.92Å; E914-W1021 HydrophobicContact CG-CZ3 4.25Å; F915-W1021 HydrophobicContact CB-CH2 3.82Å; F915-W1021 HydrophobicContact CB-CZ3 3.92Å; F915-W1021 AromaticContact CD2-CH2 3.98Å; F915-W1021 HydrophobicContact CD2-CH2 3.98Å; F915-W1021 HydrophobicContact CG-CH2 4.3Å; H1017-W1021 AromaticContact ND1-CD1 3.91Å; H1017-W1021 AromaticContact ND1-NE1 3.96Å; H1017-W1021 PolarHBondContact O-N 3.5Å; W1021-C1023 VanDerWaalsContact C-N 3.32Å; W1021-C1023 PolarHBondContact O-N 2.96Å; W1021-L1024 HydrophobicContact CB-CD1 3.99Å; W1021-L1024 HydrophobicContact CB-CG 4.12Å
1022	R	95.4	Very high	93.3	Very high	205 Å²	205	61.5 Å²	61.5	77%	0.774	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-25.2	-172	-58.2	174.8	179.5	175.7	1.8	112.8	E914 L1024	E914-R1022 VanDerWaalsContact OE1-CB 3.27Å; E914-R1022 WeakPolarHBondContact OE1-CB 3.37Å; E914-R1022 WeakPolarHBondContact OE1-CG 3.24Å; E914-R1022 PolarHBondContact OE1-N 2.99Å; E914-R1022 PolarHBondContact OE2-N 3.35Å; R1022-L1024 VanDerWaalsContact C-N 3.31Å; R1022-L1024 PolarHBondContact O-N 3.03Å
1023	C	94.8	Very high	93.3	Very high	16 Å²	16	60 Å²	60	11%	0.108	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-37.4	178.6	57.1	0	0	0	0	113.1	P910 E914 W1021 Q1025 R1026	P910-C1023 VanDerWaalsContact C-SG 3.52Å; P910-C1023 HydrophobicContact CB-CB 3.98Å; E914-C1023 VanDerWaalsContact OE2-CB 3.32Å; E914-C1023 WeakPolarHBondContact OE2-CB 3.41Å; E914-C1023 PolarHBondContact OE2-N 3.29Å; E914-C1023 PolarHBondContact OE2-SG 2.89Å; W1021-C1023 VanDerWaalsContact C-N 3.32Å; W1021-C1023 PolarHBondContact O-N 2.96Å; C1023-Q1025 PolarHBondContact O-N 3.25Å; C1023-R1026 PolarHBondContact O-N 3.01Å
1024	L	94.6	Very high	93.2	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.016	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-67.6	-32.5	-169	-59	178.8	0	0	0	113.6	T906 P910 I911 M1014 H1017 W1021 R1022 R1026 L1027	T906-L1024 WeakPolarHBondContact O-CD2 3.26Å; P910-L1024 HydrophobicContact CB-CD2 4.47Å; I911-L1024 HydrophobicContact CD1-CD1 4.1Å; I911-L1024 HydrophobicContact CD1-CD2 4.22Å; I911-L1024 HydrophobicContact CG1-CD1 4.32Å; I911-L1024 HydrophobicContact CG1-CD2 4Å; I911-L1024 HydrophobicContact CG1-CG 4.34Å; M1014-L1024 HydrophobicContact CE-CB 4.43Å; M1014-L1024 HydrophobicContact CE-CD2 4.33Å; M1014-L1024 HydrophobicContact CG-CD2 4.36Å; H1017-L1024 HydrophobicContact CB-CD1 3.46Å; H1017-L1024 VanDerWaalsContact CB-CD1 3.46Å; W1021-L1024 HydrophobicContact CB-CD1 3.99Å; W1021-L1024 HydrophobicContact CB-CG 4.12Å; R1022-L1024 VanDerWaalsContact C-N 3.31Å; R1022-L1024 PolarHBondContact O-N 3.03Å; L1024-R1026 PolarHBondContact O-N 3.43Å; L1024-L1027 PolarHBondContact O-N 3.37Å
1025	Q	84.1	Confident	93.2	Very high	141 Å²	141	62 Å²	62	66%	0.659	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-59	-22.1	-176.7	-62.8	-178.7	0.1	0	0	113.7	S1018 C1023	S1018-Q1025 PolarHBondContact O-NE2 3.29Å; C1023-Q1025 PolarHBondContact O-N 3.25Å
1026	R	83.5	Confident	93.2	Very high	192 Å²	192	61.6 Å²	61.6	73%	0.725	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-94.2	-20.9	177.8	-65.9	-175.3	-68.6	155.7	-0.3	114.2	C1023 L1024	C1023-R1026 PolarHBondContact O-N 3.01Å; L1024-R1026 PolarHBondContact O-N 3.43Å
1027	L	85	Confident	93.1	Very high	47 Å²	47	62 Å²	62	25%	0.246	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-18.7	-165	-65.8	175.7	0	0	0	114.3	P910 M1014 L1024 P1029 T1030	P910-L1027 HydrophobicContact CB-CD1 3.61Å; P910-L1027 HydrophobicContact CG-CD1 3.32Å; M1014-L1027 HydrophobicContact CE-CB 3.67Å; L1024-L1027 PolarHBondContact O-N 3.37Å; L1027-P1029 VanDerWaalsContact C-CD 3.4Å; L1027-P1029 VanDerWaalsContact C-N 3.34Å; L1027-T1030 PolarHBondContact O-N 3.44Å; L1027-T1030 PolarHBondContact O-OG1 3.47Å
1028	S	79.5	Confident	93	Very high	64 Å²	64	62.4 Å²	62.4	45%	0.448	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-47	-42.4	-178.3	166	0	0	0	0	114.9	T1030 V1031	S1028-T1030 PolarHBondContact O-N 3.1Å; S1028-V1031 WeakPolarHBondContact O-CG2 3.35Å; S1028-V1031 PolarHBondContact O-N 3.01Å
1029	P	86	Confident	92.8	Very high	102 Å²	102	64.8 Å²	64.8	66%	0.662	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-62.8	-16.8	178.6	-24	35.4	0	0	0	115	L1027	L1027-P1029 VanDerWaalsContact C-CD 3.4Å; L1027-P1029 VanDerWaalsContact C-N 3.34Å
1030	T	92.6	Very high	92.7	Very high	32 Å²	32	63.2 Å²	63.2	20%	0.196	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-102.6	2.7	-171.6	75.3	0	0	0	0	113.9	R905 L1027 S1028 G1032 H1033	R905-T1030 PolarHBondContact NH1-O 2.98Å; R905-T1030 PolarHBondContact NH1-OG1 2.89Å; R905-T1030 PolarHBondContact NH2-O 3.33Å; L1027-T1030 PolarHBondContact O-N 3.44Å; L1027-T1030 PolarHBondContact O-OG1 3.47Å; S1028-T1030 PolarHBondContact O-N 3.1Å; T1030-G1032 PolarHBondContact O-N 3.32Å; T1030-H1033 WeakPolarHBondContact O-CB 3.49Å; T1030-H1033 PolarHBondContact O-N 3.38Å
1031	V	94.1	Very high	92.3	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.006	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-45.3	-172.9	178.6	0	0	0	0	111.7	T906 P1002 V1007 M1010 E1011 M1014 S1028 H1033	T906-V1031 HydrophobicContact CG2-CG2 4.2Å; P1002-V1031 WeakPolarHBondContact CG-O 3.4Å; V1007-V1031 HydrophobicContact CB-CG1 4.38Å; V1007-V1031 HydrophobicContact CG1-CG1 4.04Å; V1007-V1031 HydrophobicContact CG2-CG1 4.4Å; M1010-V1031 HydrophobicContact CB-CG1 3.56Å; M1010-V1031 HydrophobicContact CE-CG1 3.79Å; M1010-V1031 HydrophobicContact CG-CG1 4.35Å; M1010-V1031 HydrophobicContact SD-CG1 3.93Å; E1011-V1031 HydrophobicContact CG-CB 4.49Å; E1011-V1031 HydrophobicContact CG-CG1 4.34Å; M1014-V1031 HydrophobicContact CE-CG2 4.3Å; M1014-V1031 HydrophobicContact SD-CG2 3.48Å; M1014-V1031 WeakPolarHBondContact SD-CG2 3.46Å; S1028-V1031 WeakPolarHBondContact O-CG2 3.35Å; S1028-V1031 PolarHBondContact O-N 3.01Å; V1031-H1033 PolarHBondContact O-N 2.94Å
1032	G	95.9	Very high	91.9	Very high	26 Å²	26	66.9 Å²	66.9	27%	0.268	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	4.8	177.6	0	0	0	0	0	116.4	R1001 T1030	R1001-G1032 VanDerWaalsContact CD-O 3.31Å; R1001-G1032 WeakPolarHBondContact CD-O 3.47Å; R1001-G1032 WeakPolarHBondContact CG-O 3.49Å; T1030-G1032 PolarHBondContact O-N 3.32Å
1033	H	96.9	Very high	91.6	Very high	47 Å²	47	61.8 Å²	61.8	22%	0.218	32%	0.319	C	S	.	.			trans	-82.9	138.1	-179	-69.8	-166.2	0	0	0	112.2	R905 T1030 V1031 E1037 A1038	R905-H1033 PolarHBondContact NH2-O 3.35Å; T1030-H1033 WeakPolarHBondContact O-CB 3.49Å; T1030-H1033 PolarHBondContact O-N 3.38Å; V1031-H1033 PolarHBondContact O-N 2.94Å; H1033-E1037 HydrophobicContact CB-CB 3.99Å; H1033-A1038 HydrophobicContact CB-CB 4.23Å
1034	S	97.8	Very high	91.4	Very high	3 Å²	3	66.5 Å²	66.5	2%	0.021	34%	0.339	C	S	.	.			trans	-63.8	166.8	163.1	63.5	0	0	0	0	111.1	Q1000 I1036 E1037 A1038	Q1000-S1034 VanDerWaalsContact C-CB 3.49Å; Q1000-S1034 WeakPolarHBondContact O-CA 3.49Å; Q1000-S1034 WeakPolarHBondContact O-CB 3.4Å; S1034-I1036 VanDerWaalsContact C-N 3.32Å; S1034-I1036 PolarHBondContact O-N 3.06Å; S1034-E1037 VanDerWaalsContact CB-OE2 3.32Å; S1034-E1037 WeakPolarHBondContact CB-OE2 3.49Å; S1034-E1037 PolarHBondContact N-OE2 3.4Å; S1034-E1037 PolarHBondContact O-N 3.35Å; S1034-E1037 WeakPolarHBondContact OG-CB 3.45Å; S1034-E1037 VanDerWaalsContact OG-CD 3.22Å; S1034-E1037 WeakPolarHBondContact OG-CG 3.46Å; S1034-E1037 PolarHBondContact OG-N 3.43Å; S1034-E1037 PolarHBondContact OG-OE2 3.01Å; S1034-A1038 PolarHBondContact O-N 2.87Å
1035	L	96.1	Very high	91.1	Very high	47 Å²	47	72.3 Å²	72.3	25%	0.246	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-41.1	-178.3	-162.2	74	0	0	0	111.8	L998 A1038 Q1039	L998-L1035 HydrophobicContact CD2-CD2 3.81Å; L998-L1035 PolarHBondContact O-N 2.66Å; L1035-A1038 PolarHBondContact O-N 3.49Å; L1035-Q1039 WeakPolarHBondContact O-CB 3.5Å; L1035-Q1039 VanDerWaalsContact O-CG 3.29Å; L1035-Q1039 WeakPolarHBondContact O-CG 3.44Å; L1035-Q1039 PolarHBondContact O-N 3.01Å
1036	I	96.8	Very high	91.3	Very high	35 Å²	35	68 Å²	68	18%	0.179	35%	0.354	C	S	.	.	H	α-helix	trans	-68.6	-34.8	177.7	-63	-66.8	0	0	0	112.1	L998 S1034 K1040	L998-I1036 HydrophobicContact CB-CD1 4.27Å; L998-I1036 HydrophobicContact CB-CG1 3.85Å; L998-I1036 WeakPolarHBondContact O-CG1 3.19Å; L998-I1036 PolarHBondContact O-N 3.31Å; L998-I1036 VanDerWaalsContact O-N 3.16Å; S1034-I1036 VanDerWaalsContact C-N 3.32Å; S1034-I1036 PolarHBondContact O-N 3.06Å; I1036-K1040 HydrophobicContact CG2-CD 4.36Å; I1036-K1040 VanDerWaalsContact O-CG 3.3Å; I1036-K1040 WeakPolarHBondContact O-CG 3.43Å; I1036-K1040 PolarHBondContact O-N 3.05Å; I1036-K1040 VanDerWaalsContact O-N 3.09Å
1037	E	96.6	Very high	91.7	Very high	52 Å²	52	65.5 Å²	65.5	24%	0.243	35%	0.351	C	S	.	.	H	α-helix	trans	-70.1	-42.8	175.5	-72.4	167.1	133.4	0	0	111.6	R1001 H1033 S1034 K1040 C1041	R1001-E1037 VanDerWaalsContact CG-OE2 3.26Å; R1001-E1037 WeakPolarHBondContact CG-OE2 3.3Å; R1001-E1037 IonicContact CZ-OE1 3.54Å; R1001-E1037 VanDerWaalsContact CZ-OE1 3.27Å; R1001-E1037 IonicContact CZ-OE2 3.83Å; R1001-E1037 IonicContact NE-OE1 3.57Å; R1001-E1037 PolarHBondContact NE-OE1 3.18Å; R1001-E1037 IonicContact NE-OE2 3.55Å; R1001-E1037 PolarHBondContact NE-OE2 3.06Å; R1001-E1037 IonicContact NH2-OE1 3.55Å; R1001-E1037 PolarHBondContact NH2-OE1 3.39Å; R1001-E1037 IonicContact NH2-OE2 2.73Å; H1033-E1037 HydrophobicContact CB-CB 3.99Å; S1034-E1037 VanDerWaalsContact CB-OE2 3.32Å; S1034-E1037 WeakPolarHBondContact CB-OE2 3.49Å; S1034-E1037 PolarHBondContact N-OE2 3.4Å; S1034-E1037 PolarHBondContact O-N 3.35Å; S1034-E1037 WeakPolarHBondContact OG-CB 3.45Å; S1034-E1037 VanDerWaalsContact OG-CD 3.22Å; S1034-E1037 WeakPolarHBondContact OG-CG 3.46Å; S1034-E1037 PolarHBondContact OG-N 3.43Å; S1034-E1037 PolarHBondContact OG-OE2 3.01Å; E1037-K1040 PolarHBondContact O-N 2.72Å; E1037-C1041 PolarHBondContact O-N 2.73Å; E1037-C1041 PolarHBondContact O-SG 2.95Å; E1037-C1041 VanDerWaalsContact O-SG 3.35Å
1038	A	94.8	Very high	91.9	Very high	11 Å²	11	67.4 Å²	67.4	9%	0.091	37%	0.365	C	S	.	.	H	α-helix	trans	-62.2	-44.2	175.6	0	0	0	0	0	112	H1033 S1034 L1035 K1040 C1041 E1042	H1033-A1038 HydrophobicContact CB-CB 4.23Å; S1034-A1038 PolarHBondContact O-N 2.87Å; L1035-A1038 PolarHBondContact O-N 3.49Å; A1038-K1040 VanDerWaalsContact C-N 3.31Å; A1038-K1040 PolarHBondContact O-N 2.95Å; A1038-C1041 PolarHBondContact O-N 3.27Å; A1038-E1042 WeakPolarHBondContact O-CB 3.49Å; A1038-E1042 PolarHBondContact O-N 3.47Å
1039	Q	92.6	Very high	92.4	Very high	88 Å²	88	68.5 Å²	68.5	41%	0.411	37%	0.369	S	S	.	.	H	α-helix	trans	-62.2	-34.7	175.3	-75.8	174.7	-12.1	0	0	112.8	L1035 N1043	L1035-Q1039 WeakPolarHBondContact O-CB 3.5Å; L1035-Q1039 VanDerWaalsContact O-CG 3.29Å; L1035-Q1039 WeakPolarHBondContact O-CG 3.44Å; L1035-Q1039 PolarHBondContact O-N 3.01Å; Q1039-N1043 PolarHBondContact O-N 2.94Å; Q1039-N1043 PolarHBondContact O-ND2 3.38Å
1040	K	93.5	Very high	92.6	Very high	115 Å²	115	68 Å²	68	50%	0.5	36%	0.364	S	S	.	.	H	α-helix	trans	-66.4	-49.1	174.2	-76.5	171.6	-179.3	-178.3	0	111.4	I1036 E1037 A1038 E1042 N1043 E1044	I1036-K1040 HydrophobicContact CG2-CD 4.36Å; I1036-K1040 VanDerWaalsContact O-CG 3.3Å; I1036-K1040 WeakPolarHBondContact O-CG 3.43Å; I1036-K1040 PolarHBondContact O-N 3.05Å; I1036-K1040 VanDerWaalsContact O-N 3.09Å; E1037-K1040 PolarHBondContact O-N 2.72Å; A1038-K1040 VanDerWaalsContact C-N 3.31Å; A1038-K1040 PolarHBondContact O-N 2.95Å; K1040-E1042 VanDerWaalsContact C-N 3.3Å; K1040-E1042 PolarHBondContact O-N 2.66Å; K1040-N1043 PolarHBondContact O-N 3.39Å; K1040-E1044 WeakPolarHBondContact O-CB 3.49Å; K1040-E1044 VanDerWaalsContact O-CG 3.3Å; K1040-E1044 WeakPolarHBondContact O-CG 3.45Å; K1040-E1044 PolarHBondContact O-N 2.99Å
1041	C	89.8	Confident	92.5	Very high	44 Å²	44	69 Å²	69	30%	0.297	38%	0.375	S	S	.	.	H	α-helix	trans	-60.6	-38.1	176.9	-62	0	0	0	0	112.5	E1037 A1038 E1044 E1045	E1037-C1041 PolarHBondContact O-N 2.73Å; E1037-C1041 PolarHBondContact O-SG 2.95Å; E1037-C1041 VanDerWaalsContact O-SG 3.35Å; A1038-C1041 PolarHBondContact O-N 3.27Å; C1041-E1044 PolarHBondContact O-N 3.34Å; C1041-E1045 WeakPolarHBondContact O-CB 3.32Å; C1041-E1045 PolarHBondContact O-N 3.02Å
1042	E	88.7	Confident	92.4	Very high	134 Å²	134	74.4 Å²	74.4	63%	0.626	40%	0.401	S	S	*	.	H	α-helix	trans	-64.6	-42.1	175.6	-175.3	177.7	-169	0	0	112.1	A1038 K1040 E1045 A1046	A1038-E1042 WeakPolarHBondContact O-CB 3.49Å; A1038-E1042 PolarHBondContact O-N 3.47Å; K1040-E1042 VanDerWaalsContact C-N 3.3Å; K1040-E1042 PolarHBondContact O-N 2.66Å; E1042-E1045 PolarHBondContact O-N 3.18Å; E1042-A1046 VanDerWaalsContact O-CB 3.29Å; E1042-A1046 WeakPolarHBondContact O-CB 3.35Å; E1042-A1046 PolarHBondContact O-N 2.65Å
1043	N	90.1	Very high	92	Very high	98 Å²	98	75.7 Å²	75.7	52%	0.524	41%	0.41	S	S	.	.	H	α-helix	trans	-65.8	-43.3	173.9	-73.4	-55.6	0	0	0	111.8	Q1039 K1040 E1045 A1046 E1047	Q1039-N1043 PolarHBondContact O-N 2.94Å; Q1039-N1043 PolarHBondContact O-ND2 3.38Å; K1040-N1043 PolarHBondContact O-N 3.39Å; N1043-E1045 PolarHBondContact O-N 3.33Å; N1043-A1046 PolarHBondContact O-N 3.44Å; N1043-E1047 WeakPolarHBondContact O-CB 3.4Å; N1043-E1047 WeakPolarHBondContact O-CG 3.36Å; N1043-E1047 PolarHBondContact O-N 3.06Å
1044	E	90.9	Very high	91.6	Very high	115 Å²	115	77.3 Å²	77.3	54%	0.537	43%	0.426	S	S	.	.	H	α-helix	trans	-63	-38.6	177.1	-71.6	164.8	-165.1	0	0	111.9	K1040 C1041 T1048	K1040-E1044 WeakPolarHBondContact O-CB 3.49Å; K1040-E1044 VanDerWaalsContact O-CG 3.3Å; K1040-E1044 WeakPolarHBondContact O-CG 3.45Å; K1040-E1044 PolarHBondContact O-N 2.99Å; C1041-E1044 PolarHBondContact O-N 3.34Å; E1044-T1048 VanDerWaalsContact O-CB 3.29Å; E1044-T1048 WeakPolarHBondContact O-CB 3.49Å; E1044-T1048 PolarHBondContact O-N 3Å; E1044-T1048 PolarHBondContact O-OG1 3.17Å
1045	E	87.1	Confident	91	Very high	124 Å²	124	83.5 Å²	83.5	58%	0.579	46%	0.459	S	S	*	.	H	α-helix	trans	-66.8	-45.4	172	-172.5	177.1	171.2	0	0	111.2	C1041 E1042 N1043 E1047 T1048 V1049	C1041-E1045 WeakPolarHBondContact O-CB 3.32Å; C1041-E1045 PolarHBondContact O-N 3.02Å; E1042-E1045 PolarHBondContact O-N 3.18Å; N1043-E1045 PolarHBondContact O-N 3.33Å; E1045-E1047 PolarHBondContact O-N 3.14Å; E1045-T1048 WeakPolarHBondContact O-CB 3.44Å; E1045-T1048 PolarHBondContact O-N 2.99Å; E1045-V1049 HydrophobicContact CG-CG2 4.45Å; E1045-V1049 WeakPolarHBondContact O-CB 3.37Å; E1045-V1049 WeakPolarHBondContact O-CG2 3.45Å; E1045-V1049 PolarHBondContact O-N 3.4Å
1046	A	88.4	Confident	90	Very high	50 Å²	50	85.6 Å²	85.6	41%	0.413	48%	0.477	S	S	.	.	H	α-helix	trans	-64.4	-39.9	178.9	0	0	0	0	0	112.9	E1042 N1043 T1050	E1042-A1046 VanDerWaalsContact O-CB 3.29Å; E1042-A1046 WeakPolarHBondContact O-CB 3.35Å; E1042-A1046 PolarHBondContact O-N 2.65Å; N1043-A1046 PolarHBondContact O-N 3.44Å; A1046-T1050 VanDerWaalsContact O-CB 3.3Å; A1046-T1050 WeakPolarHBondContact O-CB 3.48Å; A1046-T1050 PolarHBondContact O-N 3.38Å; A1046-T1050 PolarHBondContact O-OG1 2.93Å
1047	E	91.8	Very high	88.5	Confident	141 Å²	141	89.8 Å²	89.8	66%	0.659	50%	0.504	S	S	*	.	H	α-helix	trans	-64	-43.2	172.1	-75.5	-176.7	-169.7	0	0	111	N1043 E1045 T1050 A1051	N1043-E1047 WeakPolarHBondContact O-CB 3.4Å; N1043-E1047 WeakPolarHBondContact O-CG 3.36Å; N1043-E1047 PolarHBondContact O-N 3.06Å; E1045-E1047 PolarHBondContact O-N 3.14Å; E1047-T1050 PolarHBondContact O-N 3.48Å; E1047-A1051 WeakPolarHBondContact O-CB 3.36Å; E1047-A1051 PolarHBondContact O-N 3.33Å
1048	T	90.8	Very high	86.5	Confident	87 Å²	87	90.2 Å²	90.2	53%	0.534	52%	0.522	S	S	.	.	H	α-helix	trans	-61.8	-46.5	176.2	-61.4	0	0	0	0	111.7	E1044 E1045 T1050 A1051 M1052	E1044-T1048 VanDerWaalsContact O-CB 3.29Å; E1044-T1048 WeakPolarHBondContact O-CB 3.49Å; E1044-T1048 PolarHBondContact O-N 3Å; E1044-T1048 PolarHBondContact O-OG1 3.17Å; E1045-T1048 WeakPolarHBondContact O-CB 3.44Å; E1045-T1048 PolarHBondContact O-N 2.99Å; T1048-T1050 VanDerWaalsContact C-N 3.33Å; T1048-T1050 PolarHBondContact O-N 3.02Å; T1048-A1051 PolarHBondContact O-N 3.5Å; T1048-M1052 WeakPolarHBondContact O-CB 3.5Å; T1048-M1052 VanDerWaalsContact O-CG 3.29Å; T1048-M1052 WeakPolarHBondContact O-CG 3.43Å; T1048-M1052 PolarHBondContact O-N 2.91Å
1049	V	88.8	Confident	84.6	Confident	87 Å²	87	95.8 Å²	95.8	53%	0.527	56%	0.555	S	S	.	*	H	α-helix	trans	-62.6	-40.8	175.6	170.2	0	0	0	0	110.9	E1045 M1052 A1053	E1045-V1049 HydrophobicContact CG-CG2 4.45Å; E1045-V1049 WeakPolarHBondContact O-CB 3.37Å; E1045-V1049 WeakPolarHBondContact O-CG2 3.45Å; E1045-V1049 PolarHBondContact O-N 3.4Å; V1049-M1052 PolarHBondContact O-N 3.21Å; V1049-A1053 VanDerWaalsContact O-CB 3.29Å; V1049-A1053 WeakPolarHBondContact O-CB 3.41Å; V1049-A1053 PolarHBondContact O-N 3.4Å
1050	T	90.6	Very high	82.8	Confident	91 Å²	91	100.5 Å²	100.5	56%	0.558	57%	0.574	S	S	*	*	H	α-helix	trans	-64.5	-40.1	177	-59.7	0	0	0	0	111.9	A1046 E1047 T1048 S1054	A1046-T1050 VanDerWaalsContact O-CB 3.3Å; A1046-T1050 WeakPolarHBondContact O-CB 3.48Å; A1046-T1050 PolarHBondContact O-N 3.38Å; A1046-T1050 PolarHBondContact O-OG1 2.93Å; E1047-T1050 PolarHBondContact O-N 3.48Å; T1048-T1050 VanDerWaalsContact C-N 3.33Å; T1048-T1050 PolarHBondContact O-N 3.02Å; T1050-S1054 WeakPolarHBondContact O-CB 3.12Å; T1050-S1054 PolarHBondContact O-N 3.09Å; T1050-S1054 PolarHBondContact O-OG 2.96Å
1051	A	91.2	Very high	80.7	Confident	52 Å²	52	100.4 Å²	100.4	43%	0.43	59%	0.585	S	S	.	*	H	α-helix	trans	-65.3	-46.5	174.3	0	0	0	0	0	111.8	E1047 T1048 A1053 S1054 L1055	E1047-A1051 WeakPolarHBondContact O-CB 3.36Å; E1047-A1051 PolarHBondContact O-N 3.33Å; T1048-A1051 PolarHBondContact O-N 3.5Å; A1051-A1053 PolarHBondContact O-N 2.94Å; A1051-S1054 WeakPolarHBondContact O-CB 3.35Å; A1051-S1054 PolarHBondContact O-N 3.34Å; A1051-S1054 VanDerWaalsContact O-N 3.16Å; A1051-L1055 WeakPolarHBondContact O-CG 3.48Å; A1051-L1055 PolarHBondContact O-N 3.29Å
1052	M	90.9	Very high	78.7	Confident	115 Å²	115	103 Å²	103	57%	0.567	61%	0.61	S	S	*	*	H	α-helix	trans	-64.4	-38.5	178.2	-70.6	-64.8	-71.2	0	0	112.7	T1048 V1049 L1055 S1056	T1048-M1052 WeakPolarHBondContact O-CB 3.5Å; T1048-M1052 VanDerWaalsContact O-CG 3.29Å; T1048-M1052 WeakPolarHBondContact O-CG 3.43Å; T1048-M1052 PolarHBondContact O-N 2.91Å; V1049-M1052 PolarHBondContact O-N 3.21Å; M1052-L1055 PolarHBondContact O-N 3.43Å; M1052-L1055 HydrophobicContact SD-CD1 4.29Å; M1052-S1056 PolarHBondContact O-N 3.02Å; M1052-S1056 PolarHBondContact O-OG 2.94Å
1053	A	88.4	Confident	76.8	Confident	54 Å²	54	105.2 Å²	105.2	45%	0.446	62%	0.62	S	S	.	*	H	α-helix	trans	-62.4	-44.4	171.4	0	0	0	0	0	111.2	V1049 A1051 L1055 S1056 V1057	V1049-A1053 VanDerWaalsContact O-CB 3.29Å; V1049-A1053 WeakPolarHBondContact O-CB 3.41Å; V1049-A1053 PolarHBondContact O-N 3.4Å; A1051-A1053 PolarHBondContact O-N 2.94Å; A1053-L1055 VanDerWaalsContact C-N 3.35Å; A1053-L1055 PolarHBondContact O-N 3.36Å; A1053-S1056 WeakPolarHBondContact O-CB 3.39Å; A1053-S1056 PolarHBondContact O-N 2.94Å; A1053-V1057 VanDerWaalsContact O-CG2 3.27Å; A1053-V1057 WeakPolarHBondContact O-CG2 3.38Å; A1053-V1057 PolarHBondContact O-N 3.24Å
1054	S	87.3	Confident	74.8	Confident	80 Å²	80	110.4 Å²	110.4	56%	0.559	64%	0.638	S	S	*	*	H	α-helix	trans	-61.7	-38.9	178.9	-59.9	0	0	0	0	112.9	T1050 A1051 S1056	T1050-S1054 WeakPolarHBondContact O-CB 3.12Å; T1050-S1054 PolarHBondContact O-N 3.09Å; T1050-S1054 PolarHBondContact O-OG 2.96Å; A1051-S1054 WeakPolarHBondContact O-CB 3.35Å; A1051-S1054 PolarHBondContact O-N 3.34Å; A1051-S1054 VanDerWaalsContact O-N 3.16Å; S1054-S1056 VanDerWaalsContact C-N 3.29Å; S1054-S1056 PolarHBondContact O-N 3.41Å
1055	L	85.8	Confident	72.4	Confident	134 Å²	134	116.3 Å²	116.3	70%	0.702	66%	0.655	S	S	*	*	H	α-helix	trans	-64.3	-34.5	172.7	-67.9	172.7	0	0	0	112.3	A1051 M1052 A1053 V1057 G1058	A1051-L1055 WeakPolarHBondContact O-CG 3.48Å; A1051-L1055 PolarHBondContact O-N 3.29Å; M1052-L1055 PolarHBondContact O-N 3.43Å; M1052-L1055 HydrophobicContact SD-CD1 4.29Å; A1053-L1055 VanDerWaalsContact C-N 3.35Å; A1053-L1055 PolarHBondContact O-N 3.36Å; L1055-V1057 VanDerWaalsContact C-N 3.34Å; L1055-V1057 PolarHBondContact O-N 2.95Å; L1055-G1058 PolarHBondContact O-N 3.26Å
1056	S	74.9	Confident	70.6	Confident	91 Å²	91	115.4 Å²	115.4	64%	0.636	66%	0.663	S	S	*	*	H	α-helix	trans	-71.8	-23.1	-175.8	-58.5	0	0	0	0	113.8	M1052 A1053 S1054 G1058	M1052-S1056 PolarHBondContact O-N 3.02Å; M1052-S1056 PolarHBondContact O-OG 2.94Å; A1053-S1056 WeakPolarHBondContact O-CB 3.39Å; A1053-S1056 PolarHBondContact O-N 2.94Å; S1054-S1056 VanDerWaalsContact C-N 3.29Å; S1054-S1056 PolarHBondContact O-N 3.41Å; S1056-G1058 PolarHBondContact O-N 3.26Å
1057	V	64.8	Low	68.4	Low	122 Å²	122	122.5 Å²	122.5	74%	0.739	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-0	177.5	-146.3	0	0	0	0	113.1	A1053 L1055 V1059	A1053-V1057 VanDerWaalsContact O-CG2 3.27Å; A1053-V1057 WeakPolarHBondContact O-CG2 3.38Å; A1053-V1057 PolarHBondContact O-N 3.24Å; L1055-V1057 VanDerWaalsContact C-N 3.34Å; L1055-V1057 PolarHBondContact O-N 2.95Å; V1057-V1059 VanDerWaalsContact C-N 3.28Å; V1057-V1059 PolarHBondContact O-N 2.85Å
1058	G	55.7	Low	66.2	Low	61 Å²	61	124.7 Å²	124.7	63%	0.629	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-15.5	-178.1	0	0	0	0	0	115.6	L1055 S1056 K1060	L1055-G1058 PolarHBondContact O-N 3.26Å; S1056-G1058 PolarHBondContact O-N 3.26Å; G1058-K1060 PolarHBondContact O-N 2.89Å
1059	V	54	Low	64.1	Low	128 Å²	128	128.3 Å²	128.3	78%	0.776	71%	0.709	S	S	*	*			trans	-79.4	86.2	-178.8	-172.5	0	0	0	0	110.5	V1057	V1057-V1059 VanDerWaalsContact C-N 3.28Å; V1057-V1059 PolarHBondContact O-N 2.85Å
1060	K	54.9	Low	62.1	Low	188 Å²	188	129.3 Å²	129.3	82%	0.817	72%	0.717	S	S	*	*			trans	-55.1	132.4	160.4	-71.8	-175.1	177	-177	0	108.6	G1058 A1062	G1058-K1060 PolarHBondContact O-N 2.89Å; K1060-A1062 PolarHBondContact O-N 3.3Å
1061	P	49.2	Very low	60.1	Low	112 Å²	112	131.3 Å²	131.3	73%	0.727	72%	0.721	S	S	*	*			trans	-60.3	129.7	169	27.1	-33.1	0	0	0	108.2	E1063	P1061-E1063 PolarHBondContact O-N 2.95Å
1062	A	48.6	Very low	58.1	Low	99 Å²	99	136 Å²	136	82%	0.818	74%	0.735	S	S	*	*			trans	-63.1	109.8	174.2	0	0	0	0	0	108.4	K1060 K1064	K1060-A1062 PolarHBondContact O-N 3.3Å; A1062-K1064 PolarHBondContact O-N 3.4Å
1063	E	49.1	Very low	56.1	Low	181 Å²	181	138.8 Å²	138.8	85%	0.846	75%	0.746	S	S	*	*			trans	-58.3	126.8	177.1	-67.6	-178.3	140.6	0	0	108.9	P1061 R1065	P1061-E1063 PolarHBondContact O-N 2.95Å; E1063-R1065 PolarHBondContact O-N 3.02Å
1064	K	47	Very low	54.1	Low	206 Å²	206	144.2 Å²	144.2	90%	0.896	76%	0.762	S	S	*	*			trans	-66.8	88.7	170	-75.3	-173.9	174.4	-174.5	0	108.5	A1062 S1066	A1062-K1064 PolarHBondContact O-N 3.4Å; K1064-S1066 PolarHBondContact O-N 2.78Å
1065	R	41.7	Very low	52.3	Low	240 Å²	240	145.6 Å²	145.6	91%	0.906	77%	0.769	S	S	*	*			trans	-61.4	105.8	156.3	-86.6	-175.3	167.1	173.9	-5.4	107.3	E1063	E1063-R1065 PolarHBondContact O-N 3.02Å
1066	S	48.4	Very low	50.6	Low	105 Å²	105	144.8 Å²	144.8	73%	0.734	77%	0.772	S	S	*	*			trans	-61	146.3	162.5	43.8	0	0	0	0	109.6	K1064 E1068	K1064-S1066 PolarHBondContact O-N 2.78Å; S1066-E1068 PolarHBondContact O-N 2.67Å
1067	E	41.9	Very low	49.2	Very low	199 Å²	199	152.4 Å²	152.4	93%	0.93	80%	0.804	S	S	*	*			trans	-69.7	120.6	173	-62.5	161.2	130	0	0	109.1
1068	E	46.9	Very low	48.4	Very low	187 Å²	187	154 Å²	154	87%	0.874	81%	0.808	S	S	*	*			trans	-150.6	100.2	160.4	-152.7	162	-143.9	0	0	108.6	S1066	S1066-E1068 PolarHBondContact O-N 2.67Å
1069	E	46.7	Very low	48.1	Very low	163 Å²	163	158.8 Å²	158.8	76%	0.762	82%	0.817	S	S	*	*			trans	-76	154.1	164.1	-125.3	-165.9	136	0	0	108.6
1070	P	46.9	Very low	47.7	Very low	108 Å²	108	160.6 Å²	160.6	70%	0.701	82%	0.819	S	S	*	*				-142.7	170.1	67.5	36.9	-18.5	0	0	0	116.6
1071	M	48	Very low	47.3	Very low	133 Å²	133	158.9 Å²	158.9	66%	0.655	82%	0.819	S	S	*	*			trans	-2.6	150.3	139.6	-62.8	175.5	-67.1	0	0	117.5
1072	E	49.3	Very low	47.2	Very low	151 Å²	151	161.9 Å²	161.9	71%	0.706	83%	0.825	S	S	*	*			cis	-164.5	158.5	32.1	-141	146.5	-143.9	0	0	111.5
1073	E	49.2	Very low	47.1	Very low	172 Å²	172	166.1 Å²	166.1	80%	0.804	83%	0.826	S	S	*	*			trans	42.9	153.7	153.4	-72.6	177.1	157.1	0	0	122.4
1074	E	46.6	Very low	47	Very low	169 Å²	169	165 Å²	165	79%	0.79	82%	0.824	S	S	*	*			cis	-146.6	153	9.3	-142.9	-172.9	161.9	0	0	110.2
1075	P	48.3	Very low	46.9	Very low	109 Å²	109	161.8 Å²	161.8	71%	0.708	82%	0.819	S	S	*	*			trans	-104.6	-164.7	176.8	40.4	-31.4	0	0	0	112.4
1076	P	51	Low	47.4	Very low	117 Å²	117	155.3 Å²	155.3	76%	0.76	81%	0.811	S	S	*	*				-124.2	176.8	-72.8	39.6	-26.2	0	0	0	113.5
1077	L	45.4	Very low	47.3	Very low	251 Å²	251	159.9 Å²	159.9	100%	1.314	82%	0.818	S	S	*	*			trans	-125.5	0	154.9	-83.8	175.1	0	0	0	109.7

Retrieved 1,077 of 1,077 residues in 1804.1 ms (Link to these results)

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