A0AA82N2B9_SCHMA Loading...

Helicase ATP-binding domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N2B9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,256 aa.

						>A0AA82N2B9_SCHMA|A0AA82N2B9
MTGDHYDIVIPENRIMKTDEQSVKDSTLMSEGMVSVIEAPDYLASFNIDAGGEAEGSSMPHYIVNLNMYNTTTDMDASTTLPVHSQVPGIGESSASLPTPDMNSPVIMNENVGLMCGVNSTGQGQQFFTPTMRSKARGRGRFSSVPLDDVMEKKIRTYEGKDCVQELGKLLKLFPRFKRAYINRVFTRNMLSYERSYEQLKEEDDRERERCSKVRLIQAPKAESKRSIESKTHSRPELPLQSQAFLCMGLPLGRCPPHVANSLYRRVIVTPEGAVESADEHEQKFLDSTGLSSSALETPSSHCEPPRPRPSLFTGDNNIETLNSEDTTIQQSGNKFFRTDHVSEAQKKKRGYINREMRTSTVSTSVSRIKITASEVRSDLNSEDSTGKPGDAVKYLAKVGVVSNSVSRKRSTRRGGKSTRPKLTTEIQGVGNETGTSPAVEVIKEDDGLDLTNEERRHLLSFFNDAVLEELTLVPGCSWKTAQAIINMRPFKNTKDLIFQMSGVRHLSSNLYECCKDILEVRTSVIRLLNKCERLTEQVASHATRLLENTIDLPENAITDQNQSDGVVDEHDGFTINKANGYPVQLVTQQPAILNPLRELKPYQLVGLNWLRLLHHEQVNGILADEMGLGKTVQAIAFLASLWESGNRGPHLIICPSSTQDSWQRELSLWCPHLKVLVYQGSAEQRKAIRLKIYESESQPDFNILLTSYAVGTSAIEDRTLMKRVNFRYGIFDEAHMLKNMTSQRYRNLMNFRVQRRLLLTGTPIQNNLLELISLLSFVMPEMFLKSTDLLKRIFQIYSKPMNSREEDQSANNSPIRSSFEEERLVQAKGLLQPFCLRRLKSQVLGQLPPKTTEVVSVTMTKSQATHYYDLVKRLRSQRSVKDTNSNSQDSSLLLNSECDDGDENADPDANDRKVNGTKSFPVTSRSISESLQSPCNMVTALRKAANHQALFSGLAYTDSNLRDIAESLHLDPSHSNADPNLIYEDLRAMNDHQIHKLCQLYEVLSPYTLSPESIISGSGKIQWLNDNLPKLISEGHRILIFSQFVIMLDILEEFLRITNRRYIRMDGSTPVSERQTLIDRFNSSSIEVFLLSTRAGGLGINLTGADTVIIHDIDFNPYNDKQAEDRCHRLGQKNPVHVIRLISEGTLEEGMLRIASEKLQMEQNVTGCVSGYNTEQTEESEKTARVSSRRRRSKSANILPCSSLDGMTENGNVFKVLGNLNPTASDLSLSIVNPISSSRISERDVRSLLSDALKL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.8	Very low	35.7	Very low	243 Å²	243	151.9 Å²	151.9	100%	1.197	82%	0.815	S	S	*	*				0	164.8	0	-83.4	170.2	160.5	0	0	108.3
2	T	34.3	Very low	35.1	Very low	143 Å²	143	154.1 Å²	154.1	88%	0.877	82%	0.816	S	S	*	*			trans	-46	149.6	-179	43.7	0	0	0	0	115.1
3	G	35.1	Very low	35	Very low	66 Å²	66	154.8 Å²	154.8	68%	0.68	82%	0.821	S	S	*	*			cis	169.6	-158	-0.8	0	0	0	0	0	115.3
4	D	42.3	Very low	34.9	Very low	165 Å²	165	160.2 Å²	160.2	88%	0.882	82%	0.824	S	S	*	*			trans	86.4	110.9	164.2	-54.9	-9.6	0	0	0	119.3
5	H	36.6	Very low	34.5	Very low	151 Å²	151	159.5 Å²	159.5	70%	0.699	82%	0.82	S	S	*	*			trans	-83.5	166.2	174.5	-77.9	-101.4	0	0	0	112.3	D7	H5-D7 IonicContact CE1-OD2 2.71Å; H5-D7 IonicContact ND1-OD2 3.04Å; H5-D7 PolarHBondContact ND1-OD2 3.26Å
6	Y	42.3	Very low	34.4	Very low	236 Å²	236	161.2 Å²	161.2	93%	0.925	83%	0.827	S	S	*	*				-148.1	107.9	121.4	-98.5	-70.1	0	0	0	111
7	D	32.5	Very low	34.1	Very low	116 Å²	116	162.3 Å²	162.3	62%	0.62	82%	0.824	S	S	*	*			trans	-110.1	145.5	170.8	-71.9	-72.4	0	0	0	110.2	H5 V9	H5-D7 IonicContact CE1-OD2 2.71Å; H5-D7 IonicContact ND1-OD2 3.04Å; H5-D7 PolarHBondContact ND1-OD2 3.26Å; D7-V9 HydrophobicContact CB-CG2 4.46Å
8	I	38.3	Very low	34.2	Very low	170 Å²	170	160.7 Å²	160.7	87%	0.872	82%	0.824	S	S	*	*			trans	-134.2	122	167.2	-61.1	179.7	0	0	0	107.9
9	V	30.7	Very low	34.2	Very low	106 Å²	106	159.4 Å²	159.4	64%	0.642	82%	0.818	S	S	*	*			trans	-145.9	161.5	-171.6	-164.3	0	0	0	0	109.7	D7	D7-V9 HydrophobicContact CB-CG2 4.46Å
10	I	34.5	Very low	34	Very low	159 Å²	159	159.2 Å²	159.2	82%	0.815	81%	0.814	S	S	*	*			trans	63.2	159.8	166.6	42.7	175.7	0	0	0	117.8
11	P	36.6	Very low	33.8	Very low	116 Å²	116	159 Å²	159	75%	0.753	81%	0.81	S	S	*	*			cis	-126.3	154.4	2.5	27.7	-6.7	0	0	0	117
12	E	28.2	Very low	33.7	Very low	178 Å²	178	152.4 Å²	152.4	83%	0.832	79%	0.788	S	S	*	*			trans	-75.6	148.4	151.3	-62	-177.4	118.3	0	0	110.8
13	N	33.8	Very low	33.7	Very low	163 Å²	163	151.7 Å²	151.7	87%	0.872	78%	0.782	S	S	*	*			trans	179.2	129.7	142.7	-109.7	-75.9	0	0	0	111.8
14	R	33	Very low	33.3	Very low	231 Å²	231	157 Å²	157	87%	0.872	79%	0.787	S	S	*	*				164.2	134.8	101.5	-163	169.4	-156.3	156.2	6.4	111.9
15	I	29.8	Very low	32.6	Very low	149 Å²	149	155.7 Å²	155.7	76%	0.764	78%	0.78	S	S	*	*			trans	-89.2	142.9	177.7	-63.6	158.5	0	0	0	110.9
16	M	33.2	Very low	32.3	Very low	187 Å²	187	154.5 Å²	154.5	92%	0.921	79%	0.789	S	S	*	*			trans	-138.3	147.3	150.3	-85.2	-167.2	155.9	0	0	110.8
17	K	28.9	Very low	31.5	Very low	180 Å²	180	149.3 Å²	149.3	78%	0.783	78%	0.782	S	S	*	*			trans	-125.1	143.9	175	-69.1	-178.8	173.8	-174.3	0	109.1
18	T	35.1	Very low	31.3	Very low	133 Å²	133	150.7 Å²	150.7	82%	0.816	79%	0.788	S	S	*	*			trans	-156.8	91.4	154.5	44.8	0	0	0	0	110.2
19	D	33.8	Very low	30.8	Very low	136 Å²	136	149.8 Å²	149.8	73%	0.727	78%	0.782	S	S	*	*				51.6	111.9	122.4	-49.7	-17.8	0	0	0	121.9
20	E	30.5	Very low	30.6	Very low	155 Å²	155	150 Å²	150	72%	0.724	79%	0.788	S	S	*	*				75.2	126	121.1	-63	-133.3	93.2	0	0	124.2
21	Q	30	Very low	30.3	Very low	157 Å²	157	149.4 Å²	149.4	73%	0.734	78%	0.782	S	S	*	*			trans	69.2	139.9	141.3	-64.6	173.9	34.5	0	0	119.2
22	S	29	Very low	30	Very low	104 Å²	104	146.9 Å²	146.9	73%	0.727	78%	0.777	S	S	*	*			cis	-166.7	-174.6	-3.7	52.6	0	0	0	0	112.1
23	V	32.4	Very low	29.9	Very low	127 Å²	127	143.8 Å²	143.8	77%	0.77	76%	0.764	S	S	*	*			trans	81.8	85.1	166.7	-163.3	0	0	0	0	119.2
24	K	28.4	Very low	29.5	Very low	178 Å²	178	139.8 Å²	139.8	77%	0.774	75%	0.745	S	S	*	*				49	138.9	115.2	-73.2	-169.2	173.7	-165.3	0	124.1
25	D	26.6	Very low	29.3	Very low	137 Å²	137	133.2 Å²	133.2	73%	0.733	74%	0.735	S	S	*	*			trans	66.5	94.4	140.4	-52.8	-15.9	0	0	0	120.8
26	S	30.5	Very low	29.1	Very low	127 Å²	127	131.6 Å²	131.6	89%	0.888	73%	0.732	S	S	*	*				-166	152.9	123	19.5	0	0	0	0	111.8
27	T	26.6	Very low	28.9	Very low	127 Å²	127	127.8 Å²	127.8	78%	0.779	71%	0.714	S	S	*	*			trans	-121	166.2	-165.8	-39	0	0	0	0	111.2
28	L	27.1	Very low	28.8	Very low	144 Å²	144	124.2 Å²	124.2	75%	0.754	70%	0.7	S	S	*	*			trans	78.2	143.7	168.8	-49.4	171.2	0	0	0	114.6
29	M	27.8	Very low	28.4	Very low	151 Å²	151	122.3 Å²	122.3	74%	0.744	70%	0.698	S	S	*	*			cis	-151.4	146.5	-4.9	-117	-79.4	172.5	0	0	110
30	S	26.4	Very low	28.3	Very low	110 Å²	110	119.9 Å²	119.9	77%	0.769	69%	0.69	S	S	*	*			trans	-113.5	98.3	177.8	56.3	0	0	0	0	111	G32	S30-G32 PolarHBondContact O-N 2.93Å
31	E	28.5	Very low	28.1	Very low	147 Å²	147	119.7 Å²	119.7	69%	0.687	69%	0.694	S	S	*	*			trans	-92.2	88.8	179	-68.9	-166.1	166.7	0	0	112.6	R210	E31-R210 PolarHBondContact O-NH2 3.37Å; E31-R210 IonicContact OE2-NH1 2.92Å; E31-R210 PolarHBondContact OE2-NH1 3.03Å
32	G	30.1	Very low	28.1	Very low	63 Å²	63	121.6 Å²	121.6	65%	0.649	70%	0.695	S	S	*	*			trans	-66.8	150.4	162.2	0	0	0	0	0	111.8	S30 V34	S30-G32 PolarHBondContact O-N 2.93Å; G32-V34 PolarHBondContact O-N 2.89Å
33	M	26.9	Very low	28	Very low	113 Å²	113	124.6 Å²	124.6	56%	0.557	70%	0.702	S	S	*	*			trans	-93.9	100.2	-177.3	-159.4	164.1	-178.1	0	0	110.9	S35 E207 R210	M33-S35 PolarHBondContact O-N 2.86Å; M33-E207 WeakPolarHBondContact CE-OE1 3.35Å; M33-E207 WeakPolarHBondContact CE-OE2 3.46Å; M33-R210 HydrophobicContact SD-CG 4.45Å; M33-R210 PolarHBondContact SD-NE 3.19Å
34	V	25.7	Very low	27.7	Very low	79 Å²	79	122.9 Å²	122.9	48%	0.479	70%	0.702	S	S	.	*			trans	-87.4	101.6	178.4	-176.1	0	0	0	0	109.6	G32 P973	G32-V34 PolarHBondContact O-N 2.89Å; V34-P973 HydrophobicContact CG1-CB 4.09Å; V34-P973 HydrophobicContact CG2-CB 3.62Å
35	S	27.6	Very low	27.5	Very low	94 Å²	94	118.9 Å²	118.9	66%	0.657	70%	0.696	S	S	*	*			trans	-90	111.8	173	60.7	0	0	0	0	110.6	M33 I37	M33-S35 PolarHBondContact O-N 2.86Å; S35-I37 PolarHBondContact O-N 3.31Å
36	V	26.5	Very low	27.5	Very low	114 Å²	114	121 Å²	121	69%	0.691	70%	0.699	S	S	*	*			trans	-56.2	121.5	-177.1	-180	0	0	0	0	112	E38	V36-E38 HydrophobicContact CG1-CG 4.33Å
37	I	27.7	Very low	27.2	Very low	107 Å²	107	121.6 Å²	121.6	55%	0.549	69%	0.692	S	S	.	*			trans	-94	106.2	173.5	-58.5	176.9	0	0	0	108.1	S35	S35-I37 PolarHBondContact O-N 3.31Å
38	E	26.5	Very low	27.2	Very low	105 Å²	105	123.8 Å²	123.8	49%	0.491	70%	0.698	S	S	.	*	P	Polyproline II helix	trans	-83.2	128.3	167.1	-65.5	-173.3	122.4	0	0	109.3	V36 R184	V36-E38 HydrophobicContact CG1-CG 4.33Å; E38-R184 IonicContact OE1-CZ 3.57Å; E38-R184 IonicContact OE1-NH1 2.69Å; E38-R184 PolarHBondContact OE1-NH1 3.45Å; E38-R184 IonicContact OE1-NH2 3.58Å; E38-R184 PolarHBondContact OE1-NH2 3.14Å
39	A	28.6	Very low	27.2	Very low	93 Å²	93	123.1 Å²	123.1	77%	0.769	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-67.5	139.4	-174.2	0	0	0	0	0	112.6
40	P	30.5	Very low	27.2	Very low	86 Å²	86	120 Å²	120	56%	0.558	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-84	138.2	176.8	32.3	-33.5	0	0	0	112.9	Y42	P40-Y42 HydrophobicContact CG-CD2 4.48Å; P40-Y42 HydrophobicContact CG-CE2 4.01Å; P40-Y42 WeakPolarHBondContact O-CD2 3.11Å; P40-Y42 PolarHBondContact O-N 3.27Å
41	D	27.1	Very low	27.2	Very low	151 Å²	151	118.2 Å²	118.2	81%	0.807	69%	0.692	S	S	*	*			trans	-60.9	99.6	178.3	-77.4	-62.3	0	0	0	113.7	L43	D41-L43 PolarHBondContact O-N 2.99Å
42	Y	30.2	Very low	27.1	Very low	196 Å²	196	114.4 Å²	114.4	77%	0.769	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	5.4	-178.2	-94	-81.9	0	0	0	116.1	P40	P40-Y42 HydrophobicContact CG-CD2 4.48Å; P40-Y42 HydrophobicContact CG-CE2 4.01Å; P40-Y42 WeakPolarHBondContact O-CD2 3.11Å; P40-Y42 PolarHBondContact O-N 3.27Å
43	L	26.9	Very low	26.8	Very low	167 Å²	167	120.5 Å²	120.5	87%	0.874	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-1	179.2	-73.3	171.7	0	0	0	114.6	D41 S45	D41-L43 PolarHBondContact O-N 2.99Å; L43-S45 VanDerWaalsContact C-N 3.33Å; L43-S45 PolarHBondContact O-N 2.99Å
44	A	25.1	Very low	27	Very low	92 Å²	92	119.9 Å²	119.9	76%	0.76	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	43	-172.5	0	0	0	0	0	115.8
45	S	25.6	Very low	27.1	Very low	93 Å²	93	125.7 Å²	125.7	65%	0.65	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.3	10	177.9	61.6	0	0	0	0	116.7	L43	L43-S45 VanDerWaalsContact C-N 3.33Å; L43-S45 PolarHBondContact O-N 2.99Å
46	F	24.8	Very low	27.1	Very low	182 Å²	182	124.3 Å²	124.3	80%	0.798	74%	0.739	S	S	*	*			trans	-125.3	40.2	-177.1	-84.9	-79.8	0	0	0	115.7
47	N	25.4	Very low	27.3	Very low	140 Å²	140	123.4 Å²	123.4	75%	0.749	74%	0.738	S	S	*	*			trans	-127.7	99.5	168.8	-87.8	-30.2	0	0	0	112.7	D49	N47-D49 PolarHBondContact O-N 3.03Å
48	I	27.1	Very low	27.3	Very low	173 Å²	173	123.4 Å²	123.4	89%	0.887	75%	0.748	S	S	*	*			trans	-88	90.3	146.3	-63	179.9	0	0	0	105.1
49	D	25.9	Very low	27.4	Very low	129 Å²	129	127 Å²	127	69%	0.69	77%	0.766	S	S	*	*			trans	-70.9	146.3	-170	-153.9	-12.1	0	0	0	112.3	N47	N47-D49 PolarHBondContact O-N 3.03Å
50	A	27.5	Very low	27.3	Very low	85 Å²	85	127 Å²	127	70%	0.702	76%	0.759	S	S	*	*			trans	-110.1	92.8	-177.5	0	0	0	0	0	109.2	G52	A50-G52 PolarHBondContact O-N 3.47Å
51	G	26.2	Very low	27.1	Very low	73 Å²	73	131 Å²	131	75%	0.753	77%	0.769	S	S	*	*			trans	-54.7	128.8	-156.9	0	0	0	0	0	118.4
52	G	26.5	Very low	27	Very low	67 Å²	67	133.6 Å²	133.6	69%	0.691	77%	0.77	S	S	*	*			trans	-143.1	159.5	148.2	0	0	0	0	0	106.3	A50	A50-G52 PolarHBondContact O-N 3.47Å
53	E	24.4	Very low	26.7	Very low	192 Å²	192	132 Å²	132	90%	0.897	77%	0.773	S	S	*	*			cis	-137.2	157.8	20.4	-59.4	178.5	140.6	0	0	111.5
54	A	31.7	Very low	26.6	Very low	100 Å²	100	129.8 Å²	129.8	83%	0.826	77%	0.766	S	S	*	*			trans	-158.8	115.6	161.9	0	0	0	0	0	108.8
55	E	27.4	Very low	26.5	Very low	200 Å²	200	130.6 Å²	130.6	94%	0.935	76%	0.757	S	S	*	*			trans	-75.9	153.2	-173	-56	-178	115.5	0	0	113.1
56	G	27.7	Very low	26.5	Very low	66 Å²	66	133.8 Å²	133.8	68%	0.68	77%	0.766	S	S	*	*			trans	157	99.7	166.3	0	0	0	0	0	118.2
57	S	29.6	Very low	26.6	Very low	95 Å²	95	131.8 Å²	131.8	66%	0.664	76%	0.764	S	S	*	*			trans	65.5	102.1	155	60.6	0	0	0	0	121.3
58	S	28.4	Very low	26.6	Very low	107 Å²	107	132.2 Å²	132.2	75%	0.748	76%	0.763	S	S	*	*				73.4	123	124.6	66.8	0	0	0	0	123.6
59	M	29	Very low	26.5	Very low	179 Å²	179	135 Å²	135	88%	0.882	76%	0.764	S	S	*	*			trans	79.4	146.5	152.9	-67.6	-128.5	105.3	0	0	119.3
60	P	27.4	Very low	26.5	Very low	95 Å²	95	136.5 Å²	136.5	62%	0.617	77%	0.772	S	S	*	*			trans	-134.4	134.5	-135.1	36.9	-17.9	0	0	0	116
61	H	25.7	Very low	26.6	Very low	168 Å²	168	138.7 Å²	138.7	78%	0.778	78%	0.777	S	S	*	*			trans	-140.1	122.6	161.9	-81.4	-63.8	0	0	0	113.5
62	Y	24.9	Very low	26.6	Very low	207 Å²	207	140.4 Å²	140.4	81%	0.812	77%	0.773	S	S	*	*			trans	35	96.8	154.1	-53.4	-68.4	0	0	0	119.5
63	I	24.4	Very low	26.7	Very low	163 Å²	163	142.6 Å²	142.6	84%	0.836	77%	0.773	S	S	*	*			trans	-95.6	116	144.6	-65	176.1	0	0	0	107.2	N65	I63-N65 PolarHBondContact O-N 3.28Å
64	V	23.9	Very low	26.8	Very low	120 Å²	120	140.3 Å²	140.3	73%	0.727	77%	0.767	S	S	*	*			trans	-71.7	114.2	175	178.3	0	0	0	0	109	L66	V64-L66 HydrophobicContact CG1-CG 4.37Å; V64-L66 PolarHBondContact O-N 3.01Å
65	N	23.4	Very low	26.8	Very low	109 Å²	109	144.5 Å²	144.5	58%	0.583	77%	0.772	S	S	*	*			trans	-88.7	85.2	-175.1	-175.6	44.1	0	0	0	110.9	I63 N67	I63-N65 PolarHBondContact O-N 3.28Å; N65-N67 PolarHBondContact O-N 2.98Å
66	L	26.1	Very low	26.7	Very low	160 Å²	160	142.6 Å²	142.6	84%	0.838	77%	0.768	S	S	*	*			trans	-75.6	63.8	174.8	-81.2	169.8	0	0	0	112.2	V64	V64-L66 HydrophobicContact CG1-CG 4.37Å; V64-L66 PolarHBondContact O-N 3.01Å
67	N	25.5	Very low	26.9	Very low	140 Å²	140	144.2 Å²	144.2	75%	0.749	78%	0.775	S	S	*	*			trans	-142.3	72.4	164.4	-97.5	-14.5	0	0	0	107.2	N65	N65-N67 PolarHBondContact O-N 2.98Å
68	M	25.2	Very low	26.7	Very low	149 Å²	149	145.1 Å²	145.1	73%	0.734	78%	0.782	S	S	*	*			trans	-146	83.5	179.6	-102.7	-172.1	67.6	0	0	110.8
69	Y	26.1	Very low	26.8	Very low	232 Å²	232	146.2 Å²	146.2	91%	0.91	78%	0.784	S	S	*	*			trans	-152.3	72.9	147.8	-83.9	-60.5	0	0	0	108
70	N	25	Very low	26.8	Very low	160 Å²	160	143.1 Å²	143.1	86%	0.856	78%	0.775	S	S	*	*			trans	-154.1	94.7	161.5	-113.1	8.7	0	0	0	106.5
71	T	29.6	Very low	26.9	Very low	131 Å²	131	146.5 Å²	146.5	80%	0.804	79%	0.787	S	S	*	*			trans	-120.8	89.2	175.7	45.1	0	0	0	0	108.2
72	T	26.5	Very low	27.5	Very low	108 Å²	108	143.9 Å²	143.9	66%	0.663	79%	0.785	S	S	*	*			trans	-66.1	134.5	161.7	47.5	0	0	0	0	109.9
73	T	29.3	Very low	27.8	Very low	113 Å²	113	141 Å²	141	69%	0.693	79%	0.789	S	S	*	*				172.7	117.5	122.8	41.9	0	0	0	0	109.8
74	D	25.9	Very low	28.1	Very low	145 Å²	145	141.8 Å²	141.8	78%	0.775	79%	0.788	S	S	*	*			trans	54	120	130.7	-35	-28.9	0	0	0	120.8
75	M	31.9	Very low	28.5	Very low	187 Å²	187	141.7 Å²	141.7	92%	0.921	79%	0.793	S	S	*	*				-175.5	129.4	126.1	-97.8	-70	170.3	0	0	109.7
76	D	25	Very low	28.9	Very low	160 Å²	160	145.1 Å²	145.1	86%	0.856	81%	0.805	S	S	*	*			trans	-77.4	140.1	-177.6	-61.8	-76.2	0	0	0	113.8
77	A	32	Very low	29.4	Very low	101 Å²	101	144.3 Å²	144.3	84%	0.835	81%	0.807	S	S	*	*			trans	-160.9	103.4	159.5	0	0	0	0	0	111.9
78	S	25.3	Very low	30.1	Very low	114 Å²	114	143.6 Å²	143.6	80%	0.797	81%	0.81	S	S	*	*			trans	-82.4	135.8	177.8	-50.5	0	0	0	0	112.5
79	T	31.6	Very low	30.6	Very low	130 Å²	130	140 Å²	140	80%	0.798	81%	0.81	S	S	*	*			trans	-168.7	100.3	147	9.1	0	0	0	0	114.6
80	T	29.1	Very low	31.1	Very low	114 Å²	114	137 Å²	137	70%	0.699	81%	0.808	S	S	*	*				39.4	120.3	129.4	56.8	0	0	0	0	123.9
81	L	29.7	Very low	31.6	Very low	166 Å²	166	132.7 Å²	132.7	87%	0.869	80%	0.802	S	S	*	*				92.8	147.7	126.7	-67.6	169.8	0	0	0	122.3
82	P	37	Very low	31.9	Very low	113 Å²	113	135 Å²	135	73%	0.734	80%	0.804	S	S	*	*			trans	-117.2	169.5	-172.7	43.8	-33.4	0	0	0	115.4
83	V	32.1	Very low	32.4	Very low	146 Å²	146	135 Å²	135	89%	0.885	81%	0.808	S	S	*	*			trans	-145	142.4	167.7	-179.9	0	0	0	0	111.9
84	H	30	Very low	32.7	Very low	180 Å²	180	134.8 Å²	134.8	83%	0.833	81%	0.811	S	S	*	*			trans	-83.5	154.3	172.5	-98.3	-55.1	0	0	0	113.4
85	S	32.3	Very low	33.3	Very low	118 Å²	118	132.3 Å²	132.3	83%	0.825	81%	0.811	S	S	*	*			trans	-152.2	155.5	143.3	53.7	0	0	0	0	111.8
86	Q	31.6	Very low	33.5	Very low	180 Å²	180	127.9 Å²	127.9	84%	0.841	80%	0.798	S	S	*	*			trans	-115.6	178	-179.1	-60.5	174.4	-21.1	0	0	110.2
87	V	36.4	Very low	34.2	Very low	144 Å²	144	128 Å²	128	87%	0.873	80%	0.798	S	S	*	*			trans	160.9	145.2	135.7	155.2	0	0	0	0	110.1
88	P	39.7	Very low	34.5	Very low	125 Å²	125	128.4 Å²	128.4	81%	0.812	79%	0.792	S	S	*	*			trans	-128.6	-167.4	-135.4	44.6	-31.7	0	0	0	116.9
89	G	36.2	Very low	35.1	Very low	72 Å²	72	129.1 Å²	129.1	74%	0.742	79%	0.792	S	S	*	*			trans	-161.3	46.9	-175.6	0	0	0	0	0	120.3
90	I	36.6	Very low	35.5	Very low	169 Å²	169	127.8 Å²	127.8	87%	0.867	79%	0.785	S	S	*	*			trans	54.8	119.3	147.7	-52.6	175.5	0	0	0	121.7
91	G	35.3	Very low	35.8	Very low	70 Å²	70	127.9 Å²	127.9	72%	0.722	78%	0.782	S	S	*	*			trans	105.3	143.7	135.1	0	0	0	0	0	119.6
92	E	35.8	Very low	36.2	Very low	180 Å²	180	126.5 Å²	126.5	84%	0.841	77%	0.772	S	S	*	*			cis	-164.1	144.7	-17.8	-158.5	168.4	-118.3	0	0	112.4
93	S	36.7	Very low	36.2	Very low	108 Å²	108	127 Å²	127	76%	0.755	77%	0.769	S	S	*	*			trans	67.3	149.9	165.1	76.7	0	0	0	0	120.8
94	S	37	Very low	36.1	Very low	108 Å²	108	124.5 Å²	124.5	76%	0.755	76%	0.758	S	S	*	*			cis	-168.4	152.8	-30.1	52.6	0	0	0	0	112.9
95	A	37.5	Very low	36.5	Very low	93 Å²	93	121.1 Å²	121.1	77%	0.769	75%	0.752	S	S	*	*			trans	71.2	144.2	156.6	0	0	0	0	0	121.1
96	S	37.1	Very low	36.4	Very low	94 Å²	94	121.8 Å²	121.8	66%	0.657	75%	0.751	S	S	*	*			cis	-172.1	130.2	-17.9	50.6	0	0	0	0	114.6
97	L	39	Very low	36.3	Very low	162 Å²	162	120 Å²	120	85%	0.848	75%	0.745	S	S	*	*			trans	61.5	160	142.8	-83.8	80.2	0	0	0	121.4
98	P	38.2	Very low	36	Very low	110 Å²	110	121 Å²	121	71%	0.714	74%	0.743	S	S	*	*			cis	-134.2	169	-26.7	36.1	-18.7	0	0	0	115.4
99	T	38	Very low	35.5	Very low	130 Å²	130	122.6 Å²	122.6	80%	0.798	74%	0.744	S	S	*	*			trans	-100.8	-137.7	162	60.2	0	0	0	0	108.1
100	P	39.5	Very low	35.2	Very low	101 Å²	101	128.5 Å²	128.5	66%	0.656	75%	0.753	S	S	*	*			cis	-122.9	-138.6	0.5	30.3	-2	0	0	0	110.5
101	D	36	Very low	34.9	Very low	116 Å²	116	127.9 Å²	127.9	62%	0.62	75%	0.751	S	S	*	*			cis	-166.9	166.5	2.4	-141	-18	0	0	0	114.8
102	M	39.2	Very low	34.7	Very low	137 Å²	137	131.6 Å²	131.6	68%	0.675	76%	0.76	S	S	*	*			trans	54.2	151.6	157.7	-53.4	-60.5	163.7	0	0	120.5
103	N	36	Very low	34.3	Very low	125 Å²	125	126 Å²	126	67%	0.668	75%	0.749	S	S	*	*			cis	-161.3	149.3	-19.1	-96.1	-24.4	0	0	0	107
104	S	30.7	Very low	34	Very low	93 Å²	93	129.5 Å²	129.5	65%	0.65	76%	0.759	S	S	*	*			cis	81.1	149.4	31	97.6	0	0	0	0	115.3
105	P	38.7	Very low	33.6	Very low	108 Å²	108	132.6 Å²	132.6	70%	0.701	76%	0.764	S	S	*	*				-142.2	169.6	-52.8	39.9	-23	0	0	0	116
106	V	29.1	Very low	33.1	Very low	132 Å²	132	134.3 Å²	134.3	80%	0.8	77%	0.769	S	S	*	*			trans	43.9	136	143	176.4	0	0	0	0	122.1
107	I	29.9	Very low	32.7	Very low	142 Å²	142	133.3 Å²	133.3	73%	0.728	77%	0.773	S	S	*	*				-175.3	124.2	129.1	-100.1	167.1	0	0	0	115.5
108	M	29.6	Very low	32.5	Very low	167 Å²	167	132.6 Å²	132.6	82%	0.823	78%	0.775	S	S	*	*			trans	58.9	153.6	145.9	-58.3	179.6	-171	0	0	125.3
109	N	28.7	Very low	32	Very low	157 Å²	157	134.6 Å²	134.6	84%	0.84	78%	0.78	S	S	*	*			trans	-87.6	168.8	178.2	-43.8	-38.9	0	0	0	112.3
110	E	31.2	Very low	31.7	Very low	196 Å²	196	134.4 Å²	134.4	92%	0.916	78%	0.783	S	S	*	*				-157.7	162.1	118.8	-120	172.4	-164.4	0	0	113.4
111	N	29.4	Very low	31.2	Very low	157 Å²	157	135.8 Å²	135.8	84%	0.84	79%	0.79	S	S	*	*			trans	-98.8	147.8	-179.9	-73.5	-49.6	0	0	0	111.5
112	V	31.6	Very low	31	Very low	148 Å²	148	134 Å²	134	90%	0.897	80%	0.8	S	S	*	*			trans	-168.9	141.1	135.7	148.8	0	0	0	0	107.5
113	G	27.3	Very low	30.5	Very low	61 Å²	61	136.8 Å²	136.8	63%	0.629	81%	0.811	S	S	*	*			trans	-125.7	-174.7	175.8	0	0	0	0	0	112.1
114	L	30.8	Very low	30.3	Very low	182 Å²	182	134.6 Å²	134.6	95%	0.953	82%	0.818	S	S	*	*			trans	-154.8	178.1	163.4	-136.6	74.3	0	0	0	112.2
115	M	27.5	Very low	30.3	Very low	174 Å²	174	138 Å²	138	86%	0.857	82%	0.824	S	S	*	*			trans	-111.2	157	-163.1	-58.1	174.4	62.7	0	0	114.8
116	C	28.8	Very low	29.8	Very low	129 Å²	129	139.8 Å²	139.8	87%	0.872	82%	0.823	S	S	*	*			trans	157.4	136.2	137	-86.3	0	0	0	0	108.5
117	G	28.7	Very low	29.8	Very low	72 Å²	72	141.4 Å²	141.4	74%	0.742	82%	0.819	S	S	*	*				99.1	134.7	67.4	0	0	0	0	0	108.1
118	V	32.9	Very low	29.8	Very low	148 Å²	148	142.2 Å²	142.2	90%	0.897	82%	0.818	S	S	*	*			cis	-148.7	164.2	32.7	-174.9	0	0	0	0	111.1
119	N	28.2	Very low	29.8	Very low	152 Å²	152	140 Å²	140	81%	0.813	81%	0.814	S	S	*	*			trans	-84.4	160.8	179.5	-53.4	-64.7	0	0	0	114.8
120	S	32.9	Very low	29.9	Very low	125 Å²	125	137.6 Å²	137.6	87%	0.874	81%	0.807	S	S	*	*			trans	-149	137.6	142.3	62.8	0	0	0	0	111.4
121	T	28.5	Very low	29.6	Very low	130 Å²	130	134.1 Å²	134.1	80%	0.798	80%	0.799	S	S	*	*			trans	-121.7	153.5	-167.9	49.7	0	0	0	0	114
122	G	32	Very low	29.6	Very low	80 Å²	80	135.4 Å²	135.4	83%	0.825	80%	0.802	S	S	*	*			trans	-137.9	137.4	163.3	0	0	0	0	0	111.1
123	Q	29.1	Very low	29.3	Very low	195 Å²	195	140.3 Å²	140.3	91%	0.911	80%	0.804	S	S	*	*			trans	-118.4	152.6	-174.6	-68	-174	-7.4	0	0	112.6
124	G	30.4	Very low	29.3	Very low	79 Å²	79	143.2 Å²	143.2	81%	0.814	82%	0.815	S	S	*	*			trans	-157	101.6	175.6	0	0	0	0	0	112.1
125	Q	31	Very low	29.2	Very low	165 Å²	165	144.1 Å²	144.1	77%	0.771	81%	0.811	S	S	*	*			trans	-52.8	138.1	-167.4	-71.9	159.6	-22.2	0	0	118.4
126	Q	27.8	Very low	29.2	Very low	145 Å²	145	141 Å²	141	68%	0.678	81%	0.813	S	S	*	*				48.5	149	115.7	-53.9	174.6	-0.2	0	0	119.5
127	F	29.5	Very low	29.2	Very low	165 Å²	165	145.7 Å²	145.7	72%	0.724	81%	0.813	S	S	*	*			cis	-149.4	138.1	42.9	-90.8	-108.4	0	0	0	115.5
128	F	29.7	Very low	29.1	Very low	160 Å²	160	146.4 Å²	146.4	70%	0.702	82%	0.82	S	S	*	*			trans	49.1	103.7	139.8	-69.9	-105	0	0	0	124
129	T	28.9	Very low	28.9	Very low	120 Å²	120	150.9 Å²	150.9	74%	0.736	82%	0.821	S	S	*	*				37.5	156.1	110.1	63.2	0	0	0	0	122.6
130	P	31.3	Very low	29	Very low	107 Å²	107	147.1 Å²	147.1	70%	0.695	82%	0.818	S	S	*	*			cis	-141.8	161.4	19.2	42.8	-24	0	0	0	119.5
131	T	25.7	Very low	28.9	Very low	123 Å²	123	153 Å²	153	76%	0.755	82%	0.821	S	S	*	*			trans	39.3	117.5	146.4	59.9	0	0	0	0	122.7
132	M	29	Very low	29	Very low	184 Å²	184	156.9 Å²	156.9	91%	0.906	83%	0.827	S	S	*	*				-161.5	141.8	108.5	-107.2	-61.1	167.6	0	0	112.1
133	R	25.6	Very low	28.9	Very low	250 Å²	250	157.9 Å²	157.9	94%	0.943	82%	0.821	S	S	*	*			trans	-85.5	127.4	-179.8	-91.9	176.9	163.3	171.7	-5.8	111.1
134	S	27.5	Very low	29.2	Very low	122 Å²	122	154.3 Å²	154.3	85%	0.853	82%	0.818	S	S	*	*			trans	-130.4	146.7	159.7	-170.2	0	0	0	0	110.7	A136	S134-A136 PolarHBondContact O-N 3.14Å
135	K	27.8	Very low	29.8	Very low	201 Å²	201	154.6 Å²	154.6	87%	0.874	80%	0.804	S	S	*	*			trans	-87.5	104.8	-172.1	-69.1	179.3	177.7	179.3	0	110.8	R137	K135-R137 PolarHBondContact O-N 3.3Å; K135-R137 VanDerWaalsContact O-N 3.09Å
136	A	27.4	Very low	30.6	Very low	109 Å²	109	150.3 Å²	150.3	90%	0.901	79%	0.79	S	S	*	*			trans	-64.5	107.8	168.4	0	0	0	0	0	110.2	S134	S134-A136 PolarHBondContact O-N 3.14Å
137	R	28.8	Very low	31.3	Very low	228 Å²	228	149.4 Å²	149.4	86%	0.86	79%	0.79	S	S	*	*			trans	-103.2	117.8	170.3	-114	-177.7	169.7	179.9	-4	108.1	K135 R139	K135-R137 PolarHBondContact O-N 3.3Å; K135-R137 VanDerWaalsContact O-N 3.09Å; R137-R139 PolarHBondContact O-N 3.42Å
138	G	27.8	Very low	32.4	Very low	87 Å²	87	144.8 Å²	144.8	90%	0.897	77%	0.772	S	S	*	*			trans	-56.2	120.3	179.2	0	0	0	0	0	112.3
139	R	28.2	Very low	33.6	Very low	242 Å²	242	141.7 Å²	141.7	91%	0.913	76%	0.763	S	S	*	*			trans	-142	126.1	167.6	-86.5	-172.5	166.2	-163.6	-3.4	107.8	R137	R137-R139 PolarHBondContact O-N 3.42Å
140	G	29.2	Very low	35	Very low	72 Å²	72	138.8 Å²	138.8	74%	0.742	75%	0.745	S	S	*	*			trans	173.3	85.6	-178.7	0	0	0	0	0	111.6
141	R	32	Very low	36.2	Very low	249 Å²	249	135.3 Å²	135.3	94%	0.94	72%	0.72	S	S	*	*			trans	-110.6	127.8	148.5	-81.1	-170.9	172	-164.5	-4.6	105.9	S143	R141-S143 PolarHBondContact O-N 2.73Å
142	F	30.7	Very low	37.9	Very low	211 Å²	211	132 Å²	132	93%	0.925	70%	0.696	S	S	*	*			trans	-64.9	124.4	-176	-70.6	-95	0	0	0	110.4
143	S	29.6	Very low	39.3	Very low	101 Å²	101	131.1 Å²	131.1	71%	0.706	69%	0.687	S	S	*	*			trans	-79.9	124.2	154.6	52.5	0	0	0	0	107.9	R141 V145	R141-S143 PolarHBondContact O-N 2.73Å; S143-V145 PolarHBondContact O-N 2.86Å
144	S	34.8	Very low	40.8	Very low	120 Å²	120	125.5 Å²	125.5	84%	0.839	67%	0.669	S	S	*	*			trans	-66.4	97.5	172.9	51.2	0	0	0	0	109.9
145	V	43.7	Very low	42.4	Very low	86 Å²	86	119.8 Å²	119.8	52%	0.521	63%	0.629	S	S	.	*			trans	-65.8	129.6	167.8	178.5	0	0	0	0	107.6	S143 D149 V150	S143-V145 PolarHBondContact O-N 2.86Å; V145-D149 HydrophobicContact CG1-CB 3.73Å; V145-V150 HydrophobicContact CB-CG2 4.16Å; V145-V150 HydrophobicContact CG1-CG2 3.84Å
146	P	47.5	Very low	43.9	Very low	75 Å²	75	118.1 Å²	118.1	49%	0.487	62%	0.617	S	S	.	*			trans	-51.9	140.6	179.2	-28.2	35.2	0	0	0	112.5	D148 D149 V150	P146-D148 PolarHBondContact O-N 3.02Å; P146-D149 WeakPolarHBondContact CD-OD2 3.43Å; P146-D149 WeakPolarHBondContact O-CB 3.48Å; P146-D149 PolarHBondContact O-N 2.96Å; P146-V150 PolarHBondContact O-N 3.33Å
147	L	42	Very low	45.2	Very low	126 Å²	126	118.2 Å²	118.2	66%	0.66	61%	0.607	S	S	*	*	H	α-helix	trans	-58.9	-35.1	-178.1	-168	68.8	0	0	0	111.8	D149 V150 M151	L147-D149 PolarHBondContact O-N 3.38Å; L147-V150 PolarHBondContact O-N 3.35Å; L147-M151 HydrophobicContact CG-CG 4.34Å; L147-M151 WeakPolarHBondContact O-CB 3.47Å; L147-M151 WeakPolarHBondContact O-CG 3.46Å; L147-M151 PolarHBondContact O-N 3.41Å
148	D	52.9	Low	46.6	Very low	68 Å²	68	110.9 Å²	110.9	36%	0.364	58%	0.58	S	S	.	*	H	α-helix	trans	-60.1	-40	173	-89	-55.6	0	0	0	113.2	P146 M151 E152 R179 N183	P146-D148 PolarHBondContact O-N 3.02Å; D148-M151 PolarHBondContact O-N 3.44Å; D148-E152 VanDerWaalsContact O-CB 3.3Å; D148-E152 WeakPolarHBondContact O-CB 3.31Å; D148-E152 PolarHBondContact O-N 2.8Å; D148-R179 IonicContact OD1-NE 3.62Å; D148-N183 PolarHBondContact OD1-ND2 3.06Å
149	D	55.8	Low	47.9	Very low	95 Å²	95	112.7 Å²	112.7	51%	0.508	57%	0.565	S	S	.	*	H	α-helix	trans	-67.9	-39.1	176.9	-76.7	-26	0	0	0	111.2	V145 P146 L147 K153	V145-D149 HydrophobicContact CG1-CB 3.73Å; P146-D149 WeakPolarHBondContact CD-OD2 3.43Å; P146-D149 WeakPolarHBondContact O-CB 3.48Å; P146-D149 PolarHBondContact O-N 2.96Å; L147-D149 PolarHBondContact O-N 3.38Å; D149-K153 WeakPolarHBondContact O-CB 3.22Å; D149-K153 PolarHBondContact O-N 3.02Å
150	V	57.7	Low	49.1	Very low	59 Å²	59	105.4 Å²	105.4	36%	0.358	57%	0.565	S	S	.	*	H	α-helix	trans	-66.1	-41.8	176.1	-179.5	0	0	0	0	110.9	V145 P146 L147 K154	V145-V150 HydrophobicContact CB-CG2 4.16Å; V145-V150 HydrophobicContact CG1-CG2 3.84Å; P146-V150 PolarHBondContact O-N 3.33Å; L147-V150 PolarHBondContact O-N 3.35Å; V150-K154 PolarHBondContact O-N 3.02Å
151	M	56.9	Low	50.5	Low	34 Å²	34	108.5 Å²	108.5	17%	0.167	56%	0.558	C	S	.	*	H	α-helix	trans	-69.5	-47.6	178.3	-69.7	-72.6	-80.6	0	0	111.3	L147 D148 K153 K154 I155 N183 T187	L147-M151 HydrophobicContact CG-CG 4.34Å; L147-M151 WeakPolarHBondContact O-CB 3.47Å; L147-M151 WeakPolarHBondContact O-CG 3.46Å; L147-M151 PolarHBondContact O-N 3.41Å; D148-M151 PolarHBondContact O-N 3.44Å; M151-K153 PolarHBondContact O-N 3.01Å; M151-K154 WeakPolarHBondContact O-CB 3.28Å; M151-K154 PolarHBondContact O-N 2.99Å; M151-I155 HydrophobicContact CB-CD1 4.46Å; M151-I155 WeakPolarHBondContact O-CD1 3.47Å; M151-I155 VanDerWaalsContact O-CG1 3.26Å; M151-I155 WeakPolarHBondContact O-CG1 3.31Å; M151-I155 PolarHBondContact O-N 3.3Å; M151-N183 HydrophobicContact CE-CB 4.43Å; M151-T187 HydrophobicContact CE-CG2 4.08Å; M151-T187 WeakPolarHBondContact CE-OG1 3.49Å
152	E	61	Low	51.9	Low	52 Å²	52	100.8 Å²	100.8	24%	0.243	54%	0.536	C	S	.	.	H	α-helix	trans	-64.2	-31.7	179.2	-161.2	178.4	-84.5	0	0	111.9	D148 I155 R156 R179	D148-E152 VanDerWaalsContact O-CB 3.3Å; D148-E152 WeakPolarHBondContact O-CB 3.31Å; D148-E152 PolarHBondContact O-N 2.8Å; E152-I155 PolarHBondContact O-N 2.96Å; E152-R156 WeakPolarHBondContact O-CD 3.4Å; E152-R156 VanDerWaalsContact O-CG 3.26Å; E152-R156 WeakPolarHBondContact O-CG 3.26Å; E152-R156 PolarHBondContact O-N 3.24Å; E152-R156 IonicContact OE2-CZ 2.71Å; E152-R156 IonicContact OE2-NE 3.81Å; E152-R156 IonicContact OE2-NH2 3.56Å; E152-R156 PolarHBondContact OE2-NH2 3.06Å; E152-R179 IonicContact OE1-CZ 2.81Å; E152-R179 IonicContact OE1-NH1 3.35Å; E152-R179 IonicContact OE1-NH2 2.69Å; E152-R179 PolarHBondContact OE1-NH2 2.98Å
153	K	58.6	Low	53.9	Low	166 Å²	166	91.1 Å²	91.1	72%	0.722	49%	0.494	S	S	*	.	H	α-helix	trans	-67.9	-33.3	172.3	-164	169.8	-173.5	175.6	0	113.1	D149 M151 T157	D149-K153 WeakPolarHBondContact O-CB 3.22Å; D149-K153 PolarHBondContact O-N 3.02Å; M151-K153 PolarHBondContact O-N 3.01Å; K153-T157 PolarHBondContact O-OG1 2.75Å
154	K	58	Low	56	Low	132 Å²	132	89.4 Å²	89.4	57%	0.574	48%	0.479	S	S	*	.	H	α-helix	trans	-72.6	-44	171.5	-73.7	-179.8	177.9	-178.6	0	112.4	V150 M151 R156 T157	V150-K154 PolarHBondContact O-N 3.02Å; M151-K154 WeakPolarHBondContact O-CB 3.28Å; M151-K154 PolarHBondContact O-N 2.99Å; K154-R156 PolarHBondContact O-N 3.19Å; K154-T157 PolarHBondContact O-N 3.24Å; K154-T157 PolarHBondContact O-OG1 3.22Å
155	I	60.4	Low	58	Low	3 Å²	3	89.4 Å²	89.4	2%	0.015	47%	0.466	C	S	.	.	H	α-helix	trans	-56.6	-32.1	180	-70.5	157.8	0	0	0	111.6	M151 E152 T157 C163 L167 F186 L191	M151-I155 HydrophobicContact CB-CD1 4.46Å; M151-I155 WeakPolarHBondContact O-CD1 3.47Å; M151-I155 VanDerWaalsContact O-CG1 3.26Å; M151-I155 WeakPolarHBondContact O-CG1 3.31Å; M151-I155 PolarHBondContact O-N 3.3Å; E152-I155 PolarHBondContact O-N 2.96Å; I155-T157 VanDerWaalsContact C-N 3.26Å; I155-T157 PolarHBondContact O-N 2.93Å; I155-C163 HydrophobicContact CG2-CB 4.11Å; I155-L167 HydrophobicContact CD1-CD2 4.05Å; I155-L167 HydrophobicContact CG2-CD2 4.39Å; I155-F186 HydrophobicContact CG2-CE1 4.35Å; I155-L191 HydrophobicContact CB-CD2 4.19Å; I155-L191 HydrophobicContact CG1-CD2 3.59Å; I155-L191 HydrophobicContact CG2-CD2 4.27Å
156	R	58.5	Low	59.9	Low	165 Å²	165	87.7 Å²	87.7	62%	0.623	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	1.5	177	-68.7	165.8	-173.8	-110	8.1	115.3	E152 K154 V164	E152-R156 WeakPolarHBondContact O-CD 3.4Å; E152-R156 VanDerWaalsContact O-CG 3.26Å; E152-R156 WeakPolarHBondContact O-CG 3.26Å; E152-R156 PolarHBondContact O-N 3.24Å; E152-R156 IonicContact OE2-CZ 2.71Å; E152-R156 IonicContact OE2-NE 3.81Å; E152-R156 IonicContact OE2-NH2 3.56Å; E152-R156 PolarHBondContact OE2-NH2 3.06Å; K154-R156 PolarHBondContact O-N 3.19Å; R156-V164 HydrophobicContact CG-CG2 4.25Å
157	T	55.6	Low	61.7	Low	112 Å²	112	84.4 Å²	84.4	69%	0.687	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.5	22.4	-167.9	48.3	0	0	0	0	116.1	K153 K154 I155	K153-T157 PolarHBondContact O-OG1 2.75Å; K154-T157 PolarHBondContact O-N 3.24Å; K154-T157 PolarHBondContact O-OG1 3.22Å; I155-T157 VanDerWaalsContact C-N 3.26Å; I155-T157 PolarHBondContact O-N 2.93Å
158	Y	58.5	Low	63.8	Low	74 Å²	74	80 Å²	80	29%	0.29	42%	0.415	S	S	.	.	S	Bend	trans	-110.3	128.6	-175.9	-158.2	-93.8	0	0	0	113.6	G160 K161 M190 L191	Y158-G160 PolarHBondContact O-N 2.83Å; Y158-K161 PolarHBondContact O-N 2.8Å; Y158-M190 VanDerWaalsContact CE1-O 3.28Å; Y158-M190 WeakPolarHBondContact CE1-O 3.27Å; Y158-L191 HydrophobicContact CD1-CD1 3.79Å; Y158-L191 HydrophobicContact CD2-CD1 3.94Å; Y158-L191 HydrophobicContact CG-CD1 3.42Å; Y158-L191 VanDerWaalsContact CG-CD1 3.42Å
159	E	55.5	Low	65.4	Low	125 Å²	125	80.8 Å²	80.8	58%	0.584	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	9.5	172.5	-75.3	-177.9	-165.1	0	0	118.7	K161	E159-K161 HydrophobicContact CB-CD 4.32Å; E159-K161 PolarHBondContact O-N 3.36Å; E159-K161 IonicContact OE2-NZ 3.71Å; E159-K161 PolarHBondContact OE2-NZ 3.03Å
160	G	53.2	Low	67.1	Low	88 Å²	88	76.2 Å²	76.2	91%	0.907	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	14.3	-176	0	0	0	0	0	114.5	Y158	Y158-G160 PolarHBondContact O-N 2.83Å
161	K	57.8	Low	68.6	Low	137 Å²	137	76 Å²	76	60%	0.596	39%	0.387	S	S	*	.	S	Bend	trans	-97.1	143.8	176.1	-65.4	165.9	-175.4	160.7	0	109.9	Y158 E159 C163	Y158-K161 PolarHBondContact O-N 2.8Å; E159-K161 HydrophobicContact CB-CD 4.32Å; E159-K161 PolarHBondContact O-N 3.36Å; E159-K161 IonicContact OE2-NZ 3.71Å; E159-K161 PolarHBondContact OE2-NZ 3.03Å; K161-C163 VanDerWaalsContact C-N 3.25Å; K161-C163 PolarHBondContact O-N 2.99Å; K161-C163 PolarHBondContact O-SG 2.79Å; K161-C163 VanDerWaalsContact O-SG 3.37Å
162	D	62	Low	70.2	Confident	88 Å²	88	83 Å²	83	47%	0.471	42%	0.417	S	S	.	.			trans	-77.4	76.1	177.7	-170	-1	0	0	0	111.7	V164 Q165	D162-V164 PolarHBondContact O-N 2.74Å; D162-V164 VanDerWaalsContact O-N 3.07Å; D162-V164 WeakPolarHBondContact OD1-CB 3.25Å; D162-V164 PolarHBondContact OD1-N 2.82Å; D162-Q165 PolarHBondContact O-N 3.48Å; D162-Q165 WeakPolarHBondContact OD2-CG 2.98Å; D162-Q165 PolarHBondContact OD2-NE2 2.79Å
163	C	71.4	Confident	71.6	Confident	7 Å²	7	84.4 Å²	84.4	5%	0.047	43%	0.425	C	S	.	.	H	α-helix	trans	-63.3	-12.7	-178.8	-58.5	0	0	0	0	113	I155 K161 L167 F186	I155-C163 HydrophobicContact CG2-CB 4.11Å; K161-C163 VanDerWaalsContact C-N 3.25Å; K161-C163 PolarHBondContact O-N 2.99Å; K161-C163 PolarHBondContact O-SG 2.79Å; K161-C163 VanDerWaalsContact O-SG 3.37Å; C163-L167 WeakPolarHBondContact O-CB 3.42Å; C163-L167 PolarHBondContact O-N 2.93Å; C163-F186 HydrophobicContact CB-CE1 4.05Å; C163-F186 HydrophobicContact CB-CZ 4.08Å; C163-F186 WeakPolarHBondContact O-CE1 3.45Å
164	V	74.4	Confident	73.1	Confident	65 Å²	65	76.9 Å²	76.9	39%	0.394	39%	0.393	S	S	.	.	H	α-helix	trans	-71.4	-35.5	176.7	-172.5	0	0	0	0	110.8	R156 D162 G168	R156-V164 HydrophobicContact CG-CG2 4.25Å; D162-V164 PolarHBondContact O-N 2.74Å; D162-V164 VanDerWaalsContact O-N 3.07Å; D162-V164 WeakPolarHBondContact OD1-CB 3.25Å; D162-V164 PolarHBondContact OD1-N 2.82Å; V164-G168 PolarHBondContact O-N 2.73Å
165	Q	77.6	Confident	74.5	Confident	120 Å²	120	75.8 Å²	75.8	56%	0.561	40%	0.399	S	S	*	.	H	α-helix	trans	-68.1	-44.1	176.2	-66.5	-176.4	45	0	0	111.6	D162 G168 K169	D162-Q165 PolarHBondContact O-N 3.48Å; D162-Q165 WeakPolarHBondContact OD2-CG 2.98Å; D162-Q165 PolarHBondContact OD2-NE2 2.79Å; Q165-G168 CarbonylContact O-C 3.58Å; Q165-G168 WeakPolarHBondContact O-CA 3.36Å; Q165-G168 PolarHBondContact O-N 2.93Å; Q165-G168 VanDerWaalsContact O-N 3.15Å; Q165-K169 PolarHBondContact O-N 2.89Å
166	E	83.7	Confident	75.6	Confident	51 Å²	51	81.6 Å²	81.6	24%	0.238	42%	0.421	C	S	.	.	H	α-helix	trans	-65.7	-43	178.7	-59.8	-50.3	141	0	0	112.1	G168 K169 L170 F186 Y193	E166-G168 VanDerWaalsContact C-N 3.27Å; E166-G168 PolarHBondContact O-N 3.47Å; E166-K169 WeakPolarHBondContact O-CB 3.48Å; E166-K169 PolarHBondContact O-N 3.4Å; E166-K169 VanDerWaalsContact O-N 3.11Å; E166-K169 IonicContact OE1-NZ 2.67Å; E166-K169 PolarHBondContact OE1-NZ 3.43Å; E166-K169 WeakPolarHBondContact OE2-CD 3.37Å; E166-K169 WeakPolarHBondContact OE2-CE 3.38Å; E166-K169 IonicContact OE2-NZ 3.94Å; E166-K169 PolarHBondContact OE2-NZ 3.06Å; E166-L170 WeakPolarHBondContact O-CG 3.23Å; E166-L170 PolarHBondContact O-N 2.89Å; E166-F186 HydrophobicContact CB-CE2 4.23Å; E166-F186 HydrophobicContact CB-CZ 3.94Å; E166-Y193 HydrophobicContact CB-CD2 4.07Å; E166-Y193 HydrophobicContact CB-CG 4.48Å; E166-Y193 VanDerWaalsContact OE2-CD2 3.27Å; E166-Y193 WeakPolarHBondContact OE2-CD2 3.3Å
167	L	85.2	Confident	77	Confident	6 Å²	6	75.9 Å²	75.9	3%	0.031	40%	0.401	C	S	.	.	H	α-helix	trans	-58.9	-40.1	170.4	-178.5	61.3	0	0	0	111.7	I155 C163 K169 L170 L171 I182 F186	I155-L167 HydrophobicContact CD1-CD2 4.05Å; I155-L167 HydrophobicContact CG2-CD2 4.39Å; C163-L167 WeakPolarHBondContact O-CB 3.42Å; C163-L167 PolarHBondContact O-N 2.93Å; L167-K169 VanDerWaalsContact C-N 3.29Å; L167-K169 PolarHBondContact O-N 3.43Å; L167-L170 PolarHBondContact O-N 3.18Å; L167-L171 HydrophobicContact CD1-CD1 4.33Å; L167-L171 HydrophobicContact CD1-CG 4.31Å; L167-L171 HydrophobicContact CG-CD1 3.97Å; L167-L171 HydrophobicContact CG-CG 4.41Å; L167-L171 WeakPolarHBondContact O-CB 3.38Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-L171 PolarHBondContact O-N 2.98Å; L167-I182 HydrophobicContact CD1-CG2 3.84Å; L167-F186 HydrophobicContact CB-CD1 4.06Å; L167-F186 HydrophobicContact CB-CE1 3.79Å; L167-F186 HydrophobicContact CB-CZ 4.44Å; L167-F186 HydrophobicContact CD1-CB 4.42Å; L167-F186 HydrophobicContact CD1-CD1 3.93Å; L167-F186 HydrophobicContact CD1-CG 4.34Å; L167-F186 HydrophobicContact CG-CD1 4.42Å
168	G	84.5	Confident	78.4	Confident	32 Å²	32	76.2 Å²	76.2	33%	0.33	39%	0.392	S	S	.	.	H	α-helix	trans	-63.2	-29.2	175	0	0	0	0	0	114.3	V164 Q165 E166 K172	V164-G168 PolarHBondContact O-N 2.73Å; Q165-G168 CarbonylContact O-C 3.58Å; Q165-G168 WeakPolarHBondContact O-CA 3.36Å; Q165-G168 PolarHBondContact O-N 2.93Å; Q165-G168 VanDerWaalsContact O-N 3.15Å; E166-G168 VanDerWaalsContact C-N 3.27Å; E166-G168 PolarHBondContact O-N 3.47Å; G168-K172 WeakPolarHBondContact O-CG 3.41Å
169	K	87.7	Confident	79.7	Confident	85 Å²	85	77.4 Å²	77.4	37%	0.37	40%	0.396	S	S	.	.	H	α-helix	trans	-72.2	-49.5	170.2	-64.1	176.8	-156.2	163.4	0	111	Q165 E166 L167 L171 K172 L173 Y193	Q165-K169 PolarHBondContact O-N 2.89Å; E166-K169 WeakPolarHBondContact O-CB 3.48Å; E166-K169 PolarHBondContact O-N 3.4Å; E166-K169 VanDerWaalsContact O-N 3.11Å; E166-K169 IonicContact OE1-NZ 2.67Å; E166-K169 PolarHBondContact OE1-NZ 3.43Å; E166-K169 WeakPolarHBondContact OE2-CD 3.37Å; E166-K169 WeakPolarHBondContact OE2-CE 3.38Å; E166-K169 IonicContact OE2-NZ 3.94Å; E166-K169 PolarHBondContact OE2-NZ 3.06Å; L167-K169 VanDerWaalsContact C-N 3.29Å; L167-K169 PolarHBondContact O-N 3.43Å; K169-L171 VanDerWaalsContact C-N 3.32Å; K169-L171 PolarHBondContact O-N 2.83Å; K169-K172 WeakPolarHBondContact O-CB 3.35Å; K169-K172 PolarHBondContact O-N 3.12Å; K169-L173 HydrophobicContact CB-CD1 4.46Å; K169-L173 WeakPolarHBondContact O-CG 3.32Å; K169-L173 PolarHBondContact O-N 3.4Å; K169-Y193 HydrophobicContact CB-CE2 3.69Å; K169-Y193 HydrophobicContact CD-CE2 3.99Å
170	L	91.2	Very high	80.8	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-58.6	-42.9	-179.9	-64.2	173.4	0	0	0	111.9	E166 L167 K172 L173 F174 I182 F186 Y193 L200	E166-L170 WeakPolarHBondContact O-CG 3.23Å; E166-L170 PolarHBondContact O-N 2.89Å; L167-L170 PolarHBondContact O-N 3.18Å; L170-K172 PolarHBondContact O-N 3.49Å; L170-L173 PolarHBondContact O-N 3.48Å; L170-F174 HydrophobicContact CD2-CD2 4.47Å; L170-F174 HydrophobicContact CD2-CE2 4.01Å; L170-F174 PolarHBondContact O-N 3.35Å; L170-F174 VanDerWaalsContact O-N 3.11Å; L170-I182 HydrophobicContact CB-CG2 3.96Å; L170-F186 HydrophobicContact CD1-CB 4.36Å; L170-F186 HydrophobicContact CD1-CD2 3.54Å; L170-F186 HydrophobicContact CD1-CE2 4.03Å; L170-F186 HydrophobicContact CD1-CG 4.11Å; L170-Y193 HydrophobicContact CD1-CD2 4.37Å; L170-Y193 HydrophobicContact CD2-CD2 3.8Å; L170-Y193 HydrophobicContact CD2-CE2 3.6Å; L170-Y193 HydrophobicContact CG-CD2 3.85Å; L170-Y193 HydrophobicContact CG-CE2 3.88Å; L170-L200 HydrophobicContact CB-CD1 4.49Å; L170-L200 HydrophobicContact CD2-CD1 4.35Å
171	L	89.5	Confident	82.4	Confident	54 Å²	54	73 Å²	73	28%	0.283	36%	0.357	S	S	.	.	H	α-helix	trans	-63.6	-24.4	175.7	-72	169.7	0	0	0	113.8	L167 K169 R179 I182	L167-L171 HydrophobicContact CD1-CD1 4.33Å; L167-L171 HydrophobicContact CD1-CG 4.31Å; L167-L171 HydrophobicContact CG-CD1 3.97Å; L167-L171 HydrophobicContact CG-CG 4.41Å; L167-L171 WeakPolarHBondContact O-CB 3.38Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-L171 PolarHBondContact O-N 2.98Å; K169-L171 VanDerWaalsContact C-N 3.32Å; K169-L171 PolarHBondContact O-N 2.83Å; L171-R179 HydrophobicContact CD2-CB 4.01Å; L171-R179 HydrophobicContact CD2-CG 4.09Å; L171-I182 HydrophobicContact CD2-CB 4.2Å; L171-I182 HydrophobicContact CD2-CD1 3.89Å; L171-I182 HydrophobicContact CD2-CG2 4.12Å; L171-I182 HydrophobicContact CG-CG2 4.35Å
172	K	89.4	Confident	83.9	Confident	180 Å²	180	66.6 Å²	66.6	78%	0.783	33%	0.33	S	S	*	.	H	α-helix	trans	-85.8	-33	173.4	-76.3	-178.7	174.6	-172.8	0	113.1	G168 K169 L170	G168-K172 WeakPolarHBondContact O-CG 3.41Å; K169-K172 WeakPolarHBondContact O-CB 3.35Å; K169-K172 PolarHBondContact O-N 3.12Å; L170-K172 PolarHBondContact O-N 3.49Å
173	L	90.4	Very high	85	Confident	82 Å²	82	62.5 Å²	62.5	43%	0.429	31%	0.308	S	S	.	.	H	α-helix	trans	-78.9	-31.3	-175.3	-72.3	164	0	0	0	113	K169 L170 P175 Y193 Y197	K169-L173 HydrophobicContact CB-CD1 4.46Å; K169-L173 WeakPolarHBondContact O-CG 3.32Å; K169-L173 PolarHBondContact O-N 3.4Å; L170-L173 PolarHBondContact O-N 3.48Å; L173-P175 VanDerWaalsContact C-CD 3.42Å; L173-P175 WeakPolarHBondContact O-CD 3.46Å; L173-Y193 WeakPolarHBondContact CD1-OH 3.41Å; L173-Y197 HydrophobicContact CD1-CD2 3.97Å; L173-Y197 HydrophobicContact CD1-CE2 4.02Å
174	F	91.6	Very high	85.6	Confident	9 Å²	9	67.9 Å²	67.9	4%	0.039	33%	0.327	C	S	.	.			trans	-124.7	62.1	-174.5	-51.2	-75.9	0	0	0	113.6	L170 R176 F177 I182 Y197 L200 K201	L170-F174 HydrophobicContact CD2-CD2 4.47Å; L170-F174 HydrophobicContact CD2-CE2 4.01Å; L170-F174 PolarHBondContact O-N 3.35Å; L170-F174 VanDerWaalsContact O-N 3.11Å; F174-R176 PolarHBondContact O-N 3.05Å; F174-F177 HydrophobicContact CB-CD2 3.75Å; F174-F177 HydrophobicContact CB-CE2 4.23Å; F174-F177 PolarHBondContact O-N 3.17Å; F174-I182 HydrophobicContact CB-CD1 4.45Å; F174-Y197 AromaticContact CE2-CD2 3.72Å; F174-Y197 HydrophobicContact CE2-CD2 3.72Å; F174-Y197 HydrophobicContact CE2-CE2 4.32Å; F174-Y197 AromaticContact CZ-CD2 3.51Å; F174-Y197 HydrophobicContact CZ-CD2 3.51Å; F174-Y197 AromaticContact CZ-CE2 3.77Å; F174-Y197 HydrophobicContact CZ-CE2 3.77Å; F174-Y197 HydrophobicContact CZ-CG 4.28Å; F174-Y197 WeakPolarHBondContact CZ-O 3.44Å; F174-L200 HydrophobicContact CD1-CB 4.04Å; F174-L200 HydrophobicContact CD2-CB 3.61Å; F174-L200 HydrophobicContact CD2-CD1 3.73Å; F174-L200 HydrophobicContact CD2-CG 4.28Å; F174-L200 HydrophobicContact CE1-CB 4.03Å; F174-L200 HydrophobicContact CE2-CB 3.59Å; F174-L200 HydrophobicContact CE2-CD1 4.07Å; F174-L200 HydrophobicContact CE2-CG 4.48Å; F174-L200 HydrophobicContact CG-CB 3.83Å; F174-L200 HydrophobicContact CG-CD1 4.45Å; F174-L200 HydrophobicContact CZ-CB 3.8Å; F174-K201 HydrophobicContact CE1-CB 3.96Å; F174-K201 HydrophobicContact CZ-CB 4.06Å
175	P	87.2	Confident	86.2	Confident	108 Å²	108	65 Å²	65	70%	0.701	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-8.8	-175.1	28.6	-36.9	0	0	0	114.9	L173	L173-P175 VanDerWaalsContact C-CD 3.42Å; L173-P175 WeakPolarHBondContact O-CD 3.46Å
176	R	82.9	Confident	86.9	Confident	126 Å²	126	59.3 Å²	59.3	48%	0.475	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-21.5	175.7	-63.7	179.1	76.5	-157.5	5.7	113.2	F174 D204 E207	F174-R176 PolarHBondContact O-N 3.05Å; R176-D204 VanDerWaalsContact CD-OD1 3.29Å; R176-D204 WeakPolarHBondContact CD-OD1 3.31Å; R176-D204 IonicContact CZ-OD1 3.67Å; R176-D204 IonicContact NE-OD1 3.32Å; R176-D204 IonicContact NH1-OD1 2.79Å; R176-D204 PolarHBondContact NH1-OD1 3.42Å; R176-E207 VanDerWaalsContact NH2-CG 3.34Å; R176-E207 IonicContact NH2-OE1 2.82Å
177	F	87.7	Confident	86.8	Confident	45 Å²	45	59.1 Å²	59.1	20%	0.197	29%	0.285	C	S	.	.	S	Bend	trans	-94	145.8	178.3	-59.3	-62.8	0	0	0	112.4	F174 Y181 I182 L200 E203 D204	F174-F177 HydrophobicContact CB-CD2 3.75Å; F174-F177 HydrophobicContact CB-CE2 4.23Å; F174-F177 PolarHBondContact O-N 3.17Å; F177-Y181 HydrophobicContact CB-CD1 4.07Å; F177-Y181 AromaticContact CD1-CD1 3.94Å; F177-Y181 HydrophobicContact CD1-CD1 3.94Å; F177-Y181 HydrophobicContact CD1-CE1 4.21Å; F177-Y181 HydrophobicContact CE1-CE1 4.47Å; F177-Y181 HydrophobicContact CG-CD1 4.02Å; F177-I182 HydrophobicContact CB-CD1 4.02Å; F177-I182 HydrophobicContact CB-CG1 3.92Å; F177-L200 HydrophobicContact CD2-CD2 3.65Å; F177-L200 HydrophobicContact CE2-CB 4.25Å; F177-L200 HydrophobicContact CE2-CD2 3.89Å; F177-L200 WeakPolarHBondContact CE2-O 3.44Å; F177-L200 HydrophobicContact CG-CD2 4.29Å; F177-E203 HydrophobicContact CE1-CG 4.09Å; F177-E203 HydrophobicContact CZ-CB 3.84Å; F177-E203 HydrophobicContact CZ-CG 3.86Å; F177-D204 HydrophobicContact CE2-CB 4.14Å; F177-D204 HydrophobicContact CZ-CB 4.23Å
178	K	85.2	Confident	86.9	Confident	118 Å²	118	67.9 Å²	67.9	51%	0.513	32%	0.318	S	S	.	.			trans	-63.5	143	174.3	-55	-178.2	-174.1	-169.2	0	110.1	A180 Y181 I182 Y264	K178-A180 PolarHBondContact O-N 3.14Å; K178-Y181 WeakPolarHBondContact O-CA 3.3Å; K178-Y181 WeakPolarHBondContact O-CB 3.16Å; K178-Y181 PolarHBondContact O-N 3.37Å; K178-I182 PolarHBondContact O-N 3.41Å; K178-I182 VanDerWaalsContact O-N 3.12Å; K178-Y264 VanDerWaalsContact CD-OH 3.28Å; K178-Y264 WeakPolarHBondContact CD-OH 3.17Å; K178-Y264 WeakPolarHBondContact CE-OH 3.39Å; K178-Y264 PolarHBondContact NZ-OH 3.25Å
179	R	85.2	Confident	87	Confident	99 Å²	99	67.4 Å²	67.4	37%	0.374	31%	0.308	S	S	.	.	H	α-helix	trans	-51.2	-41.8	174	168.6	172.1	160.1	115.3	-8.4	112.5	D148 E152 L171 Y181 I182 N183	D148-R179 IonicContact OD1-NE 3.62Å; E152-R179 IonicContact OE1-CZ 2.81Å; E152-R179 IonicContact OE1-NH1 3.35Å; E152-R179 IonicContact OE1-NH2 2.69Å; E152-R179 PolarHBondContact OE1-NH2 2.98Å; L171-R179 HydrophobicContact CD2-CB 4.01Å; L171-R179 HydrophobicContact CD2-CG 4.09Å; R179-Y181 VanDerWaalsContact C-N 3.28Å; R179-Y181 PolarHBondContact O-N 2.92Å; R179-I182 PolarHBondContact O-N 2.99Å; R179-N183 WeakPolarHBondContact O-CB 3.49Å; R179-N183 PolarHBondContact O-N 2.97Å; R179-N183 PolarHBondContact O-OD1 3.41Å
180	A	79.3	Confident	86.9	Confident	46 Å²	46	69 Å²	69	38%	0.38	32%	0.318	S	S	.	.	H	α-helix	trans	-59.6	-36	176.2	0	0	0	0	0	113.1	K178 R184	K178-A180 PolarHBondContact O-N 3.14Å; A180-R184 WeakPolarHBondContact O-CB 3.45Å; A180-R184 PolarHBondContact O-N 3.12Å
181	Y	87.1	Confident	86.5	Confident	75 Å²	75	70 Å²	70	29%	0.294	32%	0.324	S	S	.	.	H	α-helix	trans	-69	-47.9	175.6	-170.6	-107.8	0	0	0	111.5	F177 K178 R179 N183 R184 V185 L200 E203	F177-Y181 HydrophobicContact CB-CD1 4.07Å; F177-Y181 AromaticContact CD1-CD1 3.94Å; F177-Y181 HydrophobicContact CD1-CD1 3.94Å; F177-Y181 HydrophobicContact CD1-CE1 4.21Å; F177-Y181 HydrophobicContact CE1-CE1 4.47Å; F177-Y181 HydrophobicContact CG-CD1 4.02Å; K178-Y181 WeakPolarHBondContact O-CA 3.3Å; K178-Y181 WeakPolarHBondContact O-CB 3.16Å; K178-Y181 PolarHBondContact O-N 3.37Å; R179-Y181 VanDerWaalsContact C-N 3.28Å; R179-Y181 PolarHBondContact O-N 2.92Å; Y181-N183 VanDerWaalsContact C-N 3.3Å; Y181-N183 PolarHBondContact O-N 3.48Å; Y181-R184 PolarHBondContact O-N 3.37Å; Y181-R184 VanDerWaalsContact O-N 3.09Å; Y181-V185 HydrophobicContact CD1-CG2 4.08Å; Y181-V185 HydrophobicContact CE1-CG2 3.64Å; Y181-V185 HydrophobicContact CE2-CG2 4.24Å; Y181-V185 WeakPolarHBondContact O-CG2 3.28Å; Y181-V185 PolarHBondContact O-N 3.16Å; Y181-L200 HydrophobicContact CD1-CD2 4.11Å; Y181-L200 HydrophobicContact CE1-CD2 3.98Å; Y181-E203 WeakPolarHBondContact CE1-OE2 3.43Å; Y181-E203 VanDerWaalsContact CZ-OE2 3.31Å; Y181-E203 PolarHBondContact OH-OE2 2.8Å
182	I	89.6	Confident	86.2	Confident	2 Å²	2	69 Å²	69	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-40.7	176.4	-65.2	170.6	0	0	0	110.5	L167 L170 L171 F174 F177 K178 R179 R184 V185 F186 L200	L167-I182 HydrophobicContact CD1-CG2 3.84Å; L170-I182 HydrophobicContact CB-CG2 3.96Å; L171-I182 HydrophobicContact CD2-CB 4.2Å; L171-I182 HydrophobicContact CD2-CD1 3.89Å; L171-I182 HydrophobicContact CD2-CG2 4.12Å; L171-I182 HydrophobicContact CG-CG2 4.35Å; F174-I182 HydrophobicContact CB-CD1 4.45Å; F177-I182 HydrophobicContact CB-CD1 4.02Å; F177-I182 HydrophobicContact CB-CG1 3.92Å; K178-I182 PolarHBondContact O-N 3.41Å; K178-I182 VanDerWaalsContact O-N 3.12Å; R179-I182 PolarHBondContact O-N 2.99Å; I182-R184 PolarHBondContact O-N 3.14Å; I182-V185 PolarHBondContact O-N 3.02Å; I182-F186 WeakPolarHBondContact O-CB 3.5Å; I182-F186 PolarHBondContact O-N 2.8Å; I182-L200 HydrophobicContact CG1-CD1 4.14Å; I182-L200 HydrophobicContact CG1-CD2 4.26Å; I182-L200 HydrophobicContact CG2-CD1 4.25Å
183	N	84.2	Confident	86.2	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.011	30%	0.295	C	S	.	.	H	α-helix	trans	-59.6	-43.8	172.6	-72.9	-9	0	0	0	111.8	D148 M151 R179 Y181 T187	D148-N183 PolarHBondContact OD1-ND2 3.06Å; M151-N183 HydrophobicContact CE-CB 4.43Å; R179-N183 WeakPolarHBondContact O-CB 3.49Å; R179-N183 PolarHBondContact O-N 2.97Å; R179-N183 PolarHBondContact O-OD1 3.41Å; Y181-N183 VanDerWaalsContact C-N 3.3Å; Y181-N183 PolarHBondContact O-N 3.48Å; N183-T187 VanDerWaalsContact O-CB 3.28Å; N183-T187 WeakPolarHBondContact O-CB 3.47Å; N183-T187 PolarHBondContact O-N 3.2Å; N183-T187 PolarHBondContact O-OG1 3.05Å
184	R	84.7	Confident	86.1	Confident	121 Å²	121	66.2 Å²	66.2	46%	0.457	31%	0.306	S	S	.	.	H	α-helix	trans	-66.1	-44.6	177	-176	-178.1	-83.3	144	-2	111.8	E38 A180 Y181 I182 T187 R188	E38-R184 IonicContact OE1-CZ 3.57Å; E38-R184 IonicContact OE1-NH1 2.69Å; E38-R184 PolarHBondContact OE1-NH1 3.45Å; E38-R184 IonicContact OE1-NH2 3.58Å; E38-R184 PolarHBondContact OE1-NH2 3.14Å; A180-R184 WeakPolarHBondContact O-CB 3.45Å; A180-R184 PolarHBondContact O-N 3.12Å; Y181-R184 PolarHBondContact O-N 3.37Å; Y181-R184 VanDerWaalsContact O-N 3.09Å; I182-R184 PolarHBondContact O-N 3.14Å; R184-T187 PolarHBondContact O-N 3.26Å; R184-R188 VanDerWaalsContact O-CB 3.23Å; R184-R188 WeakPolarHBondContact O-CB 3.48Å; R184-R188 PolarHBondContact O-N 2.68Å
185	V	87.1	Confident	86	Confident	4 Å²	4	73.1 Å²	73.1	2%	0.024	33%	0.332	C	S	.	.	H	α-helix	trans	-63.8	-49.3	177.6	170.3	0	0	0	0	111.2	Y181 I182 T187 R188 N189 Q199 L200	Y181-V185 HydrophobicContact CD1-CG2 4.08Å; Y181-V185 HydrophobicContact CE1-CG2 3.64Å; Y181-V185 HydrophobicContact CE2-CG2 4.24Å; Y181-V185 WeakPolarHBondContact O-CG2 3.28Å; Y181-V185 PolarHBondContact O-N 3.16Å; I182-V185 PolarHBondContact O-N 3.02Å; V185-T187 VanDerWaalsContact C-N 3.29Å; V185-T187 PolarHBondContact O-N 3.49Å; V185-R188 PolarHBondContact O-N 3.37Å; V185-N189 WeakPolarHBondContact O-CB 3.27Å; V185-N189 PolarHBondContact O-N 3.07Å; V185-N189 PolarHBondContact O-ND2 3.49Å; V185-Q199 HydrophobicContact CG1-CB 4.5Å; V185-L200 HydrophobicContact CB-CD2 4.4Å; V185-L200 HydrophobicContact CG1-CD1 4.42Å; V185-L200 HydrophobicContact CG1-CD2 4.29Å; V185-L200 HydrophobicContact CG1-CG 4.07Å; V185-L200 HydrophobicContact CG2-CD2 4.23Å
186	F	91.2	Very high	86.2	Confident	0 Å²	0	68 Å²	68	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.5	-36.8	179	-170.5	-127	0	0	0	112.4	I155 C163 E166 L167 L170 I182 L191 S196	I155-F186 HydrophobicContact CG2-CE1 4.35Å; C163-F186 HydrophobicContact CB-CE1 4.05Å; C163-F186 HydrophobicContact CB-CZ 4.08Å; C163-F186 WeakPolarHBondContact O-CE1 3.45Å; E166-F186 HydrophobicContact CB-CE2 4.23Å; E166-F186 HydrophobicContact CB-CZ 3.94Å; L167-F186 HydrophobicContact CB-CD1 4.06Å; L167-F186 HydrophobicContact CB-CE1 3.79Å; L167-F186 HydrophobicContact CB-CZ 4.44Å; L167-F186 HydrophobicContact CD1-CB 4.42Å; L167-F186 HydrophobicContact CD1-CD1 3.93Å; L167-F186 HydrophobicContact CD1-CG 4.34Å; L167-F186 HydrophobicContact CG-CD1 4.42Å; L170-F186 HydrophobicContact CD1-CB 4.36Å; L170-F186 HydrophobicContact CD1-CD2 3.54Å; L170-F186 HydrophobicContact CD1-CE2 4.03Å; L170-F186 HydrophobicContact CD1-CG 4.11Å; I182-F186 WeakPolarHBondContact O-CB 3.5Å; I182-F186 PolarHBondContact O-N 2.8Å; F186-L191 HydrophobicContact CD1-CB 3.78Å; F186-L191 HydrophobicContact CD1-CD2 3.51Å; F186-L191 HydrophobicContact CD1-CG 4.27Å; F186-L191 HydrophobicContact CD2-CB 3.89Å; F186-L191 HydrophobicContact CE1-CB 3.53Å; F186-L191 HydrophobicContact CE1-CD2 3.6Å; F186-L191 HydrophobicContact CE1-CG 4.21Å; F186-L191 HydrophobicContact CE2-CB 3.65Å; F186-L191 VanDerWaalsContact CE2-O 3.26Å; F186-L191 WeakPolarHBondContact CE2-O 3.45Å; F186-L191 HydrophobicContact CG-CB 3.95Å; F186-L191 HydrophobicContact CG-CD2 4.26Å; F186-L191 HydrophobicContact CZ-CB 3.46Å; F186-L191 VanDerWaalsContact CZ-CB 3.46Å; F186-L191 HydrophobicContact CZ-CD2 4.41Å; F186-L191 WeakPolarHBondContact O-CB 3.34Å; F186-L191 PolarHBondContact O-N 3.43Å; F186-L191 VanDerWaalsContact O-N 3.15Å; F186-S196 WeakPolarHBondContact CA-OG 3.43Å
187	T	83	Confident	86.8	Confident	47 Å²	47	66.2 Å²	66.2	29%	0.288	29%	0.292	S	S	.	.	H	α-helix	trans	-73	-42	174.6	-53.8	0	0	0	0	112.2	M151 N183 R184 V185 N189 M190	M151-T187 HydrophobicContact CE-CG2 4.08Å; M151-T187 WeakPolarHBondContact CE-OG1 3.49Å; N183-T187 VanDerWaalsContact O-CB 3.28Å; N183-T187 WeakPolarHBondContact O-CB 3.47Å; N183-T187 PolarHBondContact O-N 3.2Å; N183-T187 PolarHBondContact O-OG1 3.05Å; R184-T187 PolarHBondContact O-N 3.26Å; V185-T187 VanDerWaalsContact C-N 3.29Å; V185-T187 PolarHBondContact O-N 3.49Å; T187-N189 VanDerWaalsContact C-N 3.26Å; T187-N189 PolarHBondContact O-N 2.95Å; T187-M190 PolarHBondContact O-N 2.86Å
188	R	86.5	Confident	87	Confident	190 Å²	190	70.1 Å²	70.1	72%	0.717	31%	0.311	S	S	*	.	H	α-helix	trans	-60.1	-37	175.6	178.2	178	177.4	169.7	-0.9	111.7	R184 V185 M190	R184-R188 VanDerWaalsContact O-CB 3.23Å; R184-R188 WeakPolarHBondContact O-CB 3.48Å; R184-R188 PolarHBondContact O-N 2.68Å; V185-R188 PolarHBondContact O-N 3.37Å; R188-M190 PolarHBondContact O-N 2.94Å
189	N	87.3	Confident	87.3	Confident	23 Å²	23	66.4 Å²	66.4	12%	0.123	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	23.5	178.7	-68.2	-27	0	0	0	113.7	V185 T187 L191 S192 R195 S196 Q199	V185-N189 WeakPolarHBondContact O-CB 3.27Å; V185-N189 PolarHBondContact O-N 3.07Å; V185-N189 PolarHBondContact O-ND2 3.49Å; T187-N189 VanDerWaalsContact C-N 3.26Å; T187-N189 PolarHBondContact O-N 2.95Å; N189-L191 VanDerWaalsContact C-N 3.26Å; N189-L191 PolarHBondContact O-N 3.14Å; N189-S192 WeakPolarHBondContact O-CB 3.29Å; N189-S192 PolarHBondContact O-N 2.85Å; N189-R195 HydrophobicContact CB-CB 4.02Å; N189-S196 WeakPolarHBondContact CB-OG 3.38Å; N189-Q199 PolarHBondContact ND2-OE1 3.37Å
190	M	84.1	Confident	87.8	Confident	117 Å²	117	61.7 Å²	61.7	58%	0.576	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	35.6	170.2	-59.2	-72.4	-80.8	0	0	113.8	Y158 T187 R188 S192	Y158-M190 VanDerWaalsContact CE1-O 3.28Å; Y158-M190 WeakPolarHBondContact CE1-O 3.27Å; T187-M190 PolarHBondContact O-N 2.86Å; R188-M190 PolarHBondContact O-N 2.94Å; M190-S192 VanDerWaalsContact C-N 3.27Å; M190-S192 PolarHBondContact O-N 2.95Å
191	L	83	Confident	88.4	Confident	23 Å²	23	64.2 Å²	64.2	12%	0.12	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-4.6	176.8	51.9	65.4	0	0	0	113.1	I155 Y158 F186 N189 Y193	I155-L191 HydrophobicContact CB-CD2 4.19Å; I155-L191 HydrophobicContact CG1-CD2 3.59Å; I155-L191 HydrophobicContact CG2-CD2 4.27Å; Y158-L191 HydrophobicContact CD1-CD1 3.79Å; Y158-L191 HydrophobicContact CD2-CD1 3.94Å; Y158-L191 HydrophobicContact CG-CD1 3.42Å; Y158-L191 VanDerWaalsContact CG-CD1 3.42Å; F186-L191 HydrophobicContact CD1-CB 3.78Å; F186-L191 HydrophobicContact CD1-CD2 3.51Å; F186-L191 HydrophobicContact CD1-CG 4.27Å; F186-L191 HydrophobicContact CD2-CB 3.89Å; F186-L191 HydrophobicContact CE1-CB 3.53Å; F186-L191 HydrophobicContact CE1-CD2 3.6Å; F186-L191 HydrophobicContact CE1-CG 4.21Å; F186-L191 HydrophobicContact CE2-CB 3.65Å; F186-L191 VanDerWaalsContact CE2-O 3.26Å; F186-L191 WeakPolarHBondContact CE2-O 3.45Å; F186-L191 HydrophobicContact CG-CB 3.95Å; F186-L191 HydrophobicContact CG-CD2 4.26Å; F186-L191 HydrophobicContact CZ-CB 3.46Å; F186-L191 VanDerWaalsContact CZ-CB 3.46Å; F186-L191 HydrophobicContact CZ-CD2 4.41Å; F186-L191 WeakPolarHBondContact O-CB 3.34Å; F186-L191 PolarHBondContact O-N 3.43Å; F186-L191 VanDerWaalsContact O-N 3.15Å; N189-L191 VanDerWaalsContact C-N 3.26Å; N189-L191 PolarHBondContact O-N 3.14Å; L191-Y193 PolarHBondContact O-N 2.89Å
192	S	84.7	Confident	88.6	Confident	31 Å²	31	66.4 Å²	66.4	22%	0.217	29%	0.293	C	S	.	.			trans	-74.8	117.5	-173.2	179.1	0	0	0	0	111.7	N189 M190 R195 S196	N189-S192 WeakPolarHBondContact O-CB 3.29Å; N189-S192 PolarHBondContact O-N 2.85Å; M190-S192 VanDerWaalsContact C-N 3.27Å; M190-S192 PolarHBondContact O-N 2.95Å; S192-R195 PolarHBondContact OG-N 3.38Å; S192-S196 VanDerWaalsContact O-CB 3.28Å; S192-S196 WeakPolarHBondContact O-CB 3.27Å; S192-S196 PolarHBondContact O-N 3.12Å; S192-S196 PolarHBondContact O-OG 3.18Å
193	Y	89.1	Confident	88.6	Confident	63 Å²	63	68 Å²	68	25%	0.247	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-49.4	170.9	175.7	-100.2	0	0	0	111.6	E166 K169 L170 L173 L191 S196 Y197	E166-Y193 HydrophobicContact CB-CD2 4.07Å; E166-Y193 HydrophobicContact CB-CG 4.48Å; E166-Y193 VanDerWaalsContact OE2-CD2 3.27Å; E166-Y193 WeakPolarHBondContact OE2-CD2 3.3Å; K169-Y193 HydrophobicContact CB-CE2 3.69Å; K169-Y193 HydrophobicContact CD-CE2 3.99Å; L170-Y193 HydrophobicContact CD1-CD2 4.37Å; L170-Y193 HydrophobicContact CD2-CD2 3.8Å; L170-Y193 HydrophobicContact CD2-CE2 3.6Å; L170-Y193 HydrophobicContact CG-CD2 3.85Å; L170-Y193 HydrophobicContact CG-CE2 3.88Å; L173-Y193 WeakPolarHBondContact CD1-OH 3.41Å; L191-Y193 PolarHBondContact O-N 2.89Å; Y193-S196 PolarHBondContact O-N 3.3Å; Y193-Y197 VanDerWaalsContact O-CB 3.3Å; Y193-Y197 WeakPolarHBondContact O-CB 3.45Å; Y193-Y197 PolarHBondContact O-N 3.23Å
194	E	88.3	Confident	88.8	Confident	141 Å²	141	68.3 Å²	68.3	66%	0.659	30%	0.302	S	S	*	.	H	α-helix	trans	-59.2	-55.7	-174	-65.1	169	150.9	0	0	111.7	S196 Y197 E198	E194-S196 VanDerWaalsContact C-N 3.25Å; E194-S196 PolarHBondContact O-N 2.76Å; E194-Y197 PolarHBondContact O-N 3.38Å; E194-Y197 VanDerWaalsContact O-N 3.13Å; E194-E198 WeakPolarHBondContact O-CG 3.36Å; E194-E198 PolarHBondContact O-N 3.03Å
195	R	88.6	Confident	88.9	Confident	154 Å²	154	65.4 Å²	65.4	58%	0.581	30%	0.296	S	S	*	.	H	α-helix	trans	-60	-35.8	178.3	-66.9	179.4	178.9	177	-0.8	112.8	N189 S192 Q199	N189-R195 HydrophobicContact CB-CB 4.02Å; S192-R195 PolarHBondContact OG-N 3.38Å; R195-Q199 WeakPolarHBondContact O-CB 3.17Å; R195-Q199 PolarHBondContact O-N 2.79Å
196	S	91.9	Very high	88.7	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-73.2	-36.7	178.4	-55.3	0	0	0	0	112.2	F186 N189 S192 Y193 E194 L200	F186-S196 WeakPolarHBondContact CA-OG 3.43Å; N189-S196 WeakPolarHBondContact CB-OG 3.38Å; S192-S196 VanDerWaalsContact O-CB 3.28Å; S192-S196 WeakPolarHBondContact O-CB 3.27Å; S192-S196 PolarHBondContact O-N 3.12Å; S192-S196 PolarHBondContact O-OG 3.18Å; Y193-S196 PolarHBondContact O-N 3.3Å; E194-S196 VanDerWaalsContact C-N 3.25Å; E194-S196 PolarHBondContact O-N 2.76Å; S196-L200 VanDerWaalsContact O-CB 3.26Å; S196-L200 WeakPolarHBondContact O-CB 3.22Å; S196-L200 WeakPolarHBondContact O-CD1 3.5Å; S196-L200 WeakPolarHBondContact O-CG 3.42Å; S196-L200 PolarHBondContact O-N 3.05Å
197	Y	95.3	Very high	88	Confident	89 Å²	89	73.4 Å²	73.4	35%	0.349	33%	0.328	S	S	.	.	H	α-helix	trans	-67.5	-44.8	174	173.6	-96.6	0	0	0	111.2	L173 F174 Y193 E194 K201	L173-Y197 HydrophobicContact CD1-CD2 3.97Å; L173-Y197 HydrophobicContact CD1-CE2 4.02Å; F174-Y197 AromaticContact CE2-CD2 3.72Å; F174-Y197 HydrophobicContact CE2-CD2 3.72Å; F174-Y197 HydrophobicContact CE2-CE2 4.32Å; F174-Y197 AromaticContact CZ-CD2 3.51Å; F174-Y197 HydrophobicContact CZ-CD2 3.51Å; F174-Y197 AromaticContact CZ-CE2 3.77Å; F174-Y197 HydrophobicContact CZ-CE2 3.77Å; F174-Y197 HydrophobicContact CZ-CG 4.28Å; F174-Y197 WeakPolarHBondContact CZ-O 3.44Å; Y193-Y197 VanDerWaalsContact O-CB 3.3Å; Y193-Y197 WeakPolarHBondContact O-CB 3.45Å; Y193-Y197 PolarHBondContact O-N 3.23Å; E194-Y197 PolarHBondContact O-N 3.38Å; E194-Y197 VanDerWaalsContact O-N 3.13Å; Y197-K201 HydrophobicContact CE1-CD 4.46Å; Y197-K201 WeakPolarHBondContact O-CB 3.27Å; Y197-K201 PolarHBondContact O-N 3.46Å
198	E	91.8	Very high	87.6	Confident	127 Å²	127	77.6 Å²	77.6	59%	0.593	34%	0.339	S	S	*	.	H	α-helix	trans	-59.6	-51.1	175.4	-71.9	175.9	151.3	0	0	111.5	E194 K201 E202	E194-E198 WeakPolarHBondContact O-CG 3.36Å; E194-E198 PolarHBondContact O-N 3.03Å; E198-K201 PolarHBondContact O-N 3.08Å; E198-E202 PolarHBondContact O-N 3.23Å
199	Q	92.3	Very high	87.2	Confident	41 Å²	41	73.5 Å²	73.5	19%	0.192	33%	0.328	C	S	.	.	H	α-helix	trans	-62	-49	179.2	-173.2	-176.3	-12.6	0	0	112.2	V185 N189 R195 K201 E202 E203	V185-Q199 HydrophobicContact CG1-CB 4.5Å; N189-Q199 PolarHBondContact ND2-OE1 3.37Å; R195-Q199 WeakPolarHBondContact O-CB 3.17Å; R195-Q199 PolarHBondContact O-N 2.79Å; Q199-K201 VanDerWaalsContact C-N 3.27Å; Q199-K201 PolarHBondContact O-N 3.39Å; Q199-E202 PolarHBondContact O-N 2.85Å; Q199-E203 VanDerWaalsContact O-CB 3.28Å; Q199-E203 WeakPolarHBondContact O-CB 3.35Å; Q199-E203 PolarHBondContact O-N 2.88Å; Q199-E203 VanDerWaalsContact O-N 3.08Å
200	L	94.8	Very high	86.4	Confident	0 Å²	0	76 Å²	76	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-66.5	-30.2	-180	-68.8	167.9	0	0	0	112.1	L170 F174 F177 Y181 I182 V185 S196 D204	L170-L200 HydrophobicContact CB-CD1 4.49Å; L170-L200 HydrophobicContact CD2-CD1 4.35Å; F174-L200 HydrophobicContact CD1-CB 4.04Å; F174-L200 HydrophobicContact CD2-CB 3.61Å; F174-L200 HydrophobicContact CD2-CD1 3.73Å; F174-L200 HydrophobicContact CD2-CG 4.28Å; F174-L200 HydrophobicContact CE1-CB 4.03Å; F174-L200 HydrophobicContact CE2-CB 3.59Å; F174-L200 HydrophobicContact CE2-CD1 4.07Å; F174-L200 HydrophobicContact CE2-CG 4.48Å; F174-L200 HydrophobicContact CG-CB 3.83Å; F174-L200 HydrophobicContact CG-CD1 4.45Å; F174-L200 HydrophobicContact CZ-CB 3.8Å; F177-L200 HydrophobicContact CD2-CD2 3.65Å; F177-L200 HydrophobicContact CE2-CB 4.25Å; F177-L200 HydrophobicContact CE2-CD2 3.89Å; F177-L200 WeakPolarHBondContact CE2-O 3.44Å; F177-L200 HydrophobicContact CG-CD2 4.29Å; Y181-L200 HydrophobicContact CD1-CD2 4.11Å; Y181-L200 HydrophobicContact CE1-CD2 3.98Å; I182-L200 HydrophobicContact CG1-CD1 4.14Å; I182-L200 HydrophobicContact CG1-CD2 4.26Å; I182-L200 HydrophobicContact CG2-CD1 4.25Å; V185-L200 HydrophobicContact CB-CD2 4.4Å; V185-L200 HydrophobicContact CG1-CD1 4.42Å; V185-L200 HydrophobicContact CG1-CD2 4.29Å; V185-L200 HydrophobicContact CG1-CG 4.07Å; V185-L200 HydrophobicContact CG2-CD2 4.23Å; S196-L200 VanDerWaalsContact O-CB 3.26Å; S196-L200 WeakPolarHBondContact O-CB 3.22Å; S196-L200 WeakPolarHBondContact O-CD1 3.5Å; S196-L200 WeakPolarHBondContact O-CG 3.42Å; S196-L200 PolarHBondContact O-N 3.05Å; L200-D204 WeakPolarHBondContact O-CB 3.38Å; L200-D204 PolarHBondContact O-N 3.46Å
201	K	92.4	Very high	85.6	Confident	99 Å²	99	73.5 Å²	73.5	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-70.6	-50.3	174.8	-175	-167.6	170.3	-158	0	111.9	F174 Y197 E198 Q199 E203 D204 D205	F174-K201 HydrophobicContact CE1-CB 3.96Å; F174-K201 HydrophobicContact CZ-CB 4.06Å; Y197-K201 HydrophobicContact CE1-CD 4.46Å; Y197-K201 WeakPolarHBondContact O-CB 3.27Å; Y197-K201 PolarHBondContact O-N 3.46Å; E198-K201 PolarHBondContact O-N 3.08Å; Q199-K201 VanDerWaalsContact C-N 3.27Å; Q199-K201 PolarHBondContact O-N 3.39Å; K201-E203 PolarHBondContact O-N 3.38Å; K201-D204 PolarHBondContact O-N 3Å; K201-D205 WeakPolarHBondContact CE-OD2 3.35Å; K201-D205 WeakPolarHBondContact O-CB 3.35Å; K201-D205 PolarHBondContact O-N 3.42Å
202	E	91.1	Very high	84.9	Confident	120 Å²	120	76.5 Å²	76.5	56%	0.561	35%	0.352	S	S	*	.	H	α-helix	trans	-56.8	-35	177.1	-170.7	-163.2	-141.2	0	0	111.3	E198 Q199 R206	E198-E202 PolarHBondContact O-N 3.23Å; Q199-E202 PolarHBondContact O-N 2.85Å; E202-R206 WeakPolarHBondContact O-CB 3.33Å; E202-R206 PolarHBondContact O-N 3.47Å; E202-R206 IonicContact OE2-CZ 2.75Å; E202-R206 IonicContact OE2-NH2 2.97Å; E202-R206 PolarHBondContact OE2-NH2 2.99Å
203	E	88.4	Confident	83.7	Confident	36 Å²	36	82 Å²	82	17%	0.168	37%	0.372	C	S	.	.	H	α-helix	trans	-76.1	-39.6	179.9	-158	135.9	-97	0	0	113.4	F177 Y181 Q199 K201 R206 E207	F177-E203 HydrophobicContact CE1-CG 4.09Å; F177-E203 HydrophobicContact CZ-CB 3.84Å; F177-E203 HydrophobicContact CZ-CG 3.86Å; Y181-E203 WeakPolarHBondContact CE1-OE2 3.43Å; Y181-E203 VanDerWaalsContact CZ-OE2 3.31Å; Y181-E203 PolarHBondContact OH-OE2 2.8Å; Q199-E203 VanDerWaalsContact O-CB 3.28Å; Q199-E203 WeakPolarHBondContact O-CB 3.35Å; Q199-E203 PolarHBondContact O-N 2.88Å; Q199-E203 VanDerWaalsContact O-N 3.08Å; K201-E203 PolarHBondContact O-N 3.38Å; E203-R206 IonicContact OE1-CZ 3.72Å; E203-R206 IonicContact OE1-NH1 3.66Å; E203-R206 PolarHBondContact OE1-NH1 2.7Å; E203-R206 IonicContact OE1-NH2 2.74Å; E203-R206 PolarHBondContact OE1-NH2 3.03Å; E203-E207 WeakPolarHBondContact O-CB 3.42Å; E203-E207 PolarHBondContact O-N 3.35Å
204	D	88.7	Confident	81.5	Confident	9 Å²	9	84.7 Å²	84.7	5%	0.048	39%	0.394	C	S	.	.	H	α-helix	trans	-69.8	-38	172.1	-173.9	27.9	0	0	0	111.5	R176 F177 L200 K201 E207 R208	R176-D204 VanDerWaalsContact CD-OD1 3.29Å; R176-D204 WeakPolarHBondContact CD-OD1 3.31Å; R176-D204 IonicContact CZ-OD1 3.67Å; R176-D204 IonicContact NE-OD1 3.32Å; R176-D204 IonicContact NH1-OD1 2.79Å; R176-D204 PolarHBondContact NH1-OD1 3.42Å; F177-D204 HydrophobicContact CE2-CB 4.14Å; F177-D204 HydrophobicContact CZ-CB 4.23Å; L200-D204 WeakPolarHBondContact O-CB 3.38Å; L200-D204 PolarHBondContact O-N 3.46Å; K201-D204 PolarHBondContact O-N 3Å; D204-E207 PolarHBondContact O-N 2.75Å; D204-R208 WeakPolarHBondContact O-CB 3.33Å; D204-R208 WeakPolarHBondContact O-CG 3.46Å; D204-R208 PolarHBondContact O-N 3.14Å; D204-R208 IonicContact OD1-NE 2.67Å; D204-R208 PolarHBondContact OD1-NE 2.97Å; D204-R208 IonicContact OD2-CZ 3.06Å; D204-R208 IonicContact OD2-NE 2.96Å; D204-R208 PolarHBondContact OD2-NE 3.49Å; D204-R208 VanDerWaalsContact OD2-NE 3.07Å; D204-R208 IonicContact OD2-NH2 2.61Å; D204-R208 PolarHBondContact OD2-NH2 2.88Å
205	D	87.4	Confident	79.2	Confident	59 Å²	59	88.7 Å²	88.7	32%	0.316	40%	0.403	S	S	.	.	H	α-helix	trans	-66.9	-40.4	175.3	-74.3	-29.6	0	0	0	111.6	K201 E207 R208 E209	K201-D205 WeakPolarHBondContact CE-OD2 3.35Å; K201-D205 WeakPolarHBondContact O-CB 3.35Å; K201-D205 PolarHBondContact O-N 3.42Å; D205-E207 VanDerWaalsContact C-N 3.35Å; D205-E207 PolarHBondContact O-N 3.09Å; D205-R208 PolarHBondContact O-N 2.88Å; D205-R208 IonicContact OD1-CZ 2.69Å; D205-R208 IonicContact OD1-NE 3.99Å; D205-R208 IonicContact OD1-NH1 2.8Å; D205-R208 PolarHBondContact OD1-NH1 3.38Å; D205-E209 PolarHBondContact O-N 3.38Å
206	R	83.5	Confident	76.6	Confident	111 Å²	111	88.8 Å²	88.8	42%	0.419	41%	0.414	S	S	.	.	H	α-helix	trans	-55.1	-48.1	167.4	-94.1	-177.6	-86.9	125.7	-5.5	111.9	E202 E203 E209 R210	E202-R206 WeakPolarHBondContact O-CB 3.33Å; E202-R206 PolarHBondContact O-N 3.47Å; E202-R206 IonicContact OE2-CZ 2.75Å; E202-R206 IonicContact OE2-NH2 2.97Å; E202-R206 PolarHBondContact OE2-NH2 2.99Å; E203-R206 IonicContact OE1-CZ 3.72Å; E203-R206 IonicContact OE1-NH1 3.66Å; E203-R206 PolarHBondContact OE1-NH1 2.7Å; E203-R206 IonicContact OE1-NH2 2.74Å; E203-R206 PolarHBondContact OE1-NH2 3.03Å; R206-E209 PolarHBondContact O-N 3.03Å; R206-R210 WeakPolarHBondContact O-CB 3.46Å; R206-R210 PolarHBondContact O-N 3.09Å
207	E	75.2	Confident	73.9	Confident	62 Å²	62	96.3 Å²	96.3	29%	0.29	45%	0.453	S	S	.	.	H	α-helix	trans	-68.2	-35.4	-177.9	-177.8	63.5	-169.7	0	0	112.2	M33 R176 E203 D204 D205 C211	M33-E207 WeakPolarHBondContact CE-OE1 3.35Å; M33-E207 WeakPolarHBondContact CE-OE2 3.46Å; R176-E207 VanDerWaalsContact NH2-CG 3.34Å; R176-E207 IonicContact NH2-OE1 2.82Å; E203-E207 WeakPolarHBondContact O-CB 3.42Å; E203-E207 PolarHBondContact O-N 3.35Å; D204-E207 PolarHBondContact O-N 2.75Å; D205-E207 VanDerWaalsContact C-N 3.35Å; D205-E207 PolarHBondContact O-N 3.09Å; E207-C211 WeakPolarHBondContact O-CB 3.44Å; E207-C211 PolarHBondContact O-N 3.34Å; E207-C211 PolarHBondContact O-SG 3.1Å
208	R	75.8	Confident	70.9	Confident	134 Å²	134	100.4 Å²	100.4	51%	0.506	48%	0.475	S	S	.	.	H	α-helix	trans	-64.4	-44.7	171.4	-70.8	164	-167.8	-176.1	-6.2	111.6	D204 D205 R210 C211 S212	D204-R208 WeakPolarHBondContact O-CB 3.33Å; D204-R208 WeakPolarHBondContact O-CG 3.46Å; D204-R208 PolarHBondContact O-N 3.14Å; D204-R208 IonicContact OD1-NE 2.67Å; D204-R208 PolarHBondContact OD1-NE 2.97Å; D204-R208 IonicContact OD2-CZ 3.06Å; D204-R208 IonicContact OD2-NE 2.96Å; D204-R208 PolarHBondContact OD2-NE 3.49Å; D204-R208 VanDerWaalsContact OD2-NE 3.07Å; D204-R208 IonicContact OD2-NH2 2.61Å; D204-R208 PolarHBondContact OD2-NH2 2.88Å; D205-R208 PolarHBondContact O-N 2.88Å; D205-R208 IonicContact OD1-CZ 2.69Å; D205-R208 IonicContact OD1-NE 3.99Å; D205-R208 IonicContact OD1-NH1 2.8Å; D205-R208 PolarHBondContact OD1-NH1 3.38Å; R208-R210 VanDerWaalsContact C-N 3.32Å; R208-R210 PolarHBondContact O-N 3.23Å; R208-C211 PolarHBondContact O-N 3.5Å; R208-S212 WeakPolarHBondContact O-CB 3.39Å; R208-S212 PolarHBondContact O-N 3.32Å
209	E	76.8	Confident	68.1	Low	105 Å²	105	98.5 Å²	98.5	49%	0.491	48%	0.482	S	S	.	.	H	α-helix	trans	-63	-41.8	177.8	-157.7	-161.8	150.1	0	0	110.7	D205 R206 S212 K213	D205-E209 PolarHBondContact O-N 3.38Å; R206-E209 PolarHBondContact O-N 3.03Å; E209-S212 PolarHBondContact O-N 2.93Å; E209-S212 PolarHBondContact O-OG 3.17Å; E209-K213 WeakPolarHBondContact O-CG 3.43Å; E209-K213 PolarHBondContact O-N 2.98Å; E209-K213 WeakPolarHBondContact OE1-CE 3.41Å; E209-K213 IonicContact OE1-NZ 3.95Å; E209-K213 PolarHBondContact OE1-NZ 3.4Å
210	R	71.3	Confident	65.4	Low	76 Å²	76	102.6 Å²	102.6	29%	0.287	51%	0.512	S	S	.	.	H	α-helix	trans	-62.8	-42.1	175	-164.4	166.8	-176.5	97	13.8	112.5	E31 M33 R206 R208	E31-R210 PolarHBondContact O-NH2 3.37Å; E31-R210 IonicContact OE2-NH1 2.92Å; E31-R210 PolarHBondContact OE2-NH1 3.03Å; M33-R210 HydrophobicContact SD-CG 4.45Å; M33-R210 PolarHBondContact SD-NE 3.19Å; R206-R210 WeakPolarHBondContact O-CB 3.46Å; R206-R210 PolarHBondContact O-N 3.09Å; R208-R210 VanDerWaalsContact C-N 3.32Å; R208-R210 PolarHBondContact O-N 3.23Å
211	C	66.4	Low	62.6	Low	64 Å²	64	111.5 Å²	111.5	43%	0.432	55%	0.55	S	S	.	*	H	α-helix	trans	-62.3	-42.5	172.1	-68.3	0	0	0	0	112.3	E207 R208 K213 V214	E207-C211 WeakPolarHBondContact O-CB 3.44Å; E207-C211 PolarHBondContact O-N 3.34Å; E207-C211 PolarHBondContact O-SG 3.1Å; R208-C211 PolarHBondContact O-N 3.5Å; C211-K213 VanDerWaalsContact C-N 3.26Å; C211-K213 PolarHBondContact O-N 3.03Å; C211-V214 PolarHBondContact O-N 2.91Å
212	S	68.6	Low	59.8	Low	86 Å²	86	111.9 Å²	111.9	60%	0.601	57%	0.572	S	S	*	*	H	α-helix	trans	-67.6	-23.8	-175.2	75.5	0	0	0	0	114.2	R208 E209 V214	R208-S212 WeakPolarHBondContact O-CB 3.39Å; R208-S212 PolarHBondContact O-N 3.32Å; E209-S212 PolarHBondContact O-N 2.93Å; E209-S212 PolarHBondContact O-OG 3.17Å; S212-V214 VanDerWaalsContact C-N 3.3Å; S212-V214 PolarHBondContact O-N 3.42Å
213	K	59.3	Low	57.1	Low	147 Å²	147	113.7 Å²	113.7	64%	0.639	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-16.1	176.6	-71.9	167.6	-177.3	170.1	0	113.1	E209 C211 R215	E209-K213 WeakPolarHBondContact O-CG 3.43Å; E209-K213 PolarHBondContact O-N 2.98Å; E209-K213 WeakPolarHBondContact OE1-CE 3.41Å; E209-K213 IonicContact OE1-NZ 3.95Å; E209-K213 PolarHBondContact OE1-NZ 3.4Å; C211-K213 VanDerWaalsContact C-N 3.26Å; C211-K213 PolarHBondContact O-N 3.03Å; K213-R215 PolarHBondContact O-N 2.94Å; K213-R215 VanDerWaalsContact O-N 3.12Å
214	V	44.2	Very low	54.5	Low	118 Å²	118	117.3 Å²	117.3	72%	0.715	61%	0.61	S	S	*	*			trans	-85.3	82.3	-179.1	-172.6	0	0	0	0	111	C211 S212	C211-V214 PolarHBondContact O-N 2.91Å; S212-V214 VanDerWaalsContact C-N 3.3Å; S212-V214 PolarHBondContact O-N 3.42Å
215	R	39.2	Very low	52.1	Low	225 Å²	225	126.3 Å²	126.3	85%	0.849	65%	0.649	S	S	*	*			trans	-79.4	126.9	167	-78.4	-174.1	173	178.3	-1.5	110.8	K213 I217	K213-R215 PolarHBondContact O-N 2.94Å; K213-R215 VanDerWaalsContact O-N 3.12Å; R215-I217 PolarHBondContact O-N 3.4Å; R215-I217 VanDerWaalsContact O-N 3.15Å
216	L	35.1	Very low	49.5	Very low	156 Å²	156	135 Å²	135	82%	0.817	68%	0.677	S	S	*	*			trans	-73.1	103.7	179.1	-150.6	110.5	0	0	0	110.5	Q218	L216-Q218 PolarHBondContact O-N 3.25Å
217	I	34.6	Very low	47.1	Very low	159 Å²	159	134.5 Å²	134.5	82%	0.815	69%	0.691	S	S	*	*			trans	-75.8	104.6	176.5	-58.2	177.7	0	0	0	108.8	R215 A219	R215-I217 PolarHBondContact O-N 3.4Å; R215-I217 VanDerWaalsContact O-N 3.15Å; I217-A219 PolarHBondContact O-N 2.83Å
218	Q	31.4	Very low	45.3	Very low	174 Å²	174	138.7 Å²	138.7	81%	0.813	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-72	119.9	168.2	-70.1	-174.9	-14	0	0	109.6	L216	L216-Q218 PolarHBondContact O-N 3.25Å
219	A	33.4	Very low	43.4	Very low	88 Å²	88	140.3 Å²	140.3	73%	0.727	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-67.4	134.3	173.6	0	0	0	0	0	110.4	I217	I217-A219 PolarHBondContact O-N 2.83Å
220	P	35.3	Very low	41.5	Very low	127 Å²	127	139.9 Å²	139.9	83%	0.825	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-71.7	131.5	-176	28.2	-34.2	0	0	0	111.7
221	K	36	Very low	39.8	Very low	186 Å²	186	145.6 Å²	145.6	81%	0.809	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-67.3	131.9	167	-75.4	-177.3	173.9	-177.9	0	110	E223	K221-E223 PolarHBondContact O-N 3.43Å
222	A	33.4	Very low	38.3	Very low	107 Å²	107	147.8 Å²	147.8	88%	0.884	77%	0.774	S	S	*	*			trans	-83.4	107.3	170.5	0	0	0	0	0	110.4
223	E	34.5	Very low	36.8	Very low	158 Å²	158	152.1 Å²	152.1	74%	0.738	78%	0.784	S	S	*	*			trans	-117	117.4	168.5	-75.9	-175	-166.7	0	0	110.2	K221	K221-E223 PolarHBondContact O-N 3.43Å
224	S	34.1	Very low	35.8	Very low	113 Å²	113	149.7 Å²	149.7	79%	0.79	79%	0.786	S	S	*	*			trans	-89.3	126.4	175.3	-174.9	0	0	0	0	110.4
225	K	38	Very low	35.2	Very low	197 Å²	197	155.5 Å²	155.5	86%	0.857	80%	0.795	S	S	*	*			trans	-106.7	116.1	166	-73.8	-174.8	177.8	177.1	0	109.8
226	R	32.7	Very low	35	Very low	241 Å²	241	150.3 Å²	150.3	91%	0.909	79%	0.79	S	S	*	*			trans	-85.5	156.1	166.8	-74.9	-178.7	171.5	-178.3	-3.2	110.8
227	S	34.2	Very low	34.6	Very low	101 Å²	101	151.8 Å²	151.8	71%	0.706	79%	0.793	S	S	*	*			trans	-145.2	146.3	150.7	51.6	0	0	0	0	108.7
228	I	37.4	Very low	34.5	Very low	150 Å²	150	152.3 Å²	152.3	77%	0.769	80%	0.797	S	S	*	*			trans	70.5	127.1	167.1	-59.6	161.8	0	0	0	113.5
229	E	34.4	Very low	34.5	Very low	169 Å²	169	149.5 Å²	149.5	79%	0.79	79%	0.794	S	S	*	*			cis	-153.6	157.5	5.1	-140	161.4	-137.6	0	0	115.3
230	S	37.1	Very low	34.2	Very low	96 Å²	96	154 Å²	154	67%	0.671	80%	0.804	S	S	*	*			trans	76.3	117.4	151.2	75.1	0	0	0	0	123.5
231	K	36.1	Very low	34	Very low	196 Å²	196	156.6 Å²	156.6	85%	0.852	81%	0.805	S	S	*	*				55.9	128.9	126.1	-64.5	172.9	-174.6	174.9	0	119.2
232	T	34.9	Very low	33.6	Very low	109 Å²	109	152.5 Å²	152.5	67%	0.669	80%	0.8	S	S	*	*			cis	-167.6	150.8	22	12.3	0	0	0	0	112.8
233	H	37.9	Very low	33.5	Very low	177 Å²	177	156.5 Å²	156.5	82%	0.819	80%	0.801	S	S	*	*			trans	45.6	143.2	153.7	-57	-62.4	0	0	0	122.7
234	S	36.8	Very low	33.1	Very low	97 Å²	97	153.6 Å²	153.6	68%	0.678	80%	0.804	S	S	*	*			cis	-174.4	134.3	-17	52.4	0	0	0	0	114.4
235	R	32.4	Very low	33	Very low	239 Å²	239	157.8 Å²	157.8	90%	0.902	81%	0.808	S	S	*	*			trans	70	150.5	141.2	-166.1	175.1	-161.9	-163.2	5.4	119.7
236	P	35.5	Very low	32.7	Very low	116 Å²	116	155.6 Å²	155.6	75%	0.753	81%	0.805	S	S	*	*			cis	-116.1	177.2	-13.9	28.1	-7.9	0	0	0	115
237	E	27.2	Very low	32.4	Very low	187 Å²	187	150.4 Å²	150.4	87%	0.874	80%	0.804	S	S	*	*			trans	-97.5	165.1	174.9	-53.2	167.7	131.6	0	0	112.7
238	L	32.4	Very low	32.3	Very low	171 Å²	171	153.8 Å²	153.8	90%	0.895	81%	0.811	S	S	*	*			trans	-158.1	161.9	147.2	-98.5	171.3	0	0	0	108
239	P	30.1	Very low	31.7	Very low	115 Å²	115	150.3 Å²	150.3	75%	0.747	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-84.9	154.8	-147.2	32.4	-38.5	0	0	0	116.9	Q241	P239-Q241 PolarHBondContact O-N 3.3Å
240	L	27.8	Very low	31.6	Very low	181 Å²	181	149.7 Å²	149.7	95%	0.948	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-68.2	117	170	-80.2	159.9	0	0	0	111.4
241	Q	31.6	Very low	31.4	Very low	182 Å²	182	149.7 Å²	149.7	85%	0.85	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-95.3	149.3	167.7	-162	165.7	7.6	0	0	109.7	P239	P239-Q241 PolarHBondContact O-N 3.3Å
242	S	28	Very low	31.2	Very low	101 Å²	101	147.7 Å²	147.7	71%	0.706	81%	0.809	S	S	*	*	S	Bend	trans	-76.8	166.2	-177.6	51	0	0	0	0	113
243	Q	30	Very low	31.2	Very low	190 Å²	190	144.1 Å²	144.1	89%	0.888	79%	0.794	S	S	*	*			trans	87	149.4	-175.8	-49.5	176.1	11.7	0	0	115
244	A	27.5	Very low	30.7	Very low	97 Å²	97	146.9 Å²	146.9	80%	0.802	80%	0.797	S	S	*	*			trans	84.3	42.3	177.3	0	0	0	0	0	120.6
245	F	30.6	Very low	30.5	Very low	202 Å²	202	146.1 Å²	146.1	89%	0.886	79%	0.791	S	S	*	*			trans	-142.6	137.2	156	-79	-80.8	0	0	0	108.2
246	L	32	Very low	30.4	Very low	150 Å²	150	138.7 Å²	138.7	79%	0.785	77%	0.774	S	S	*	*			cis	-127.1	136.2	9.8	-74.5	143.7	0	0	0	111.8
247	C	26	Very low	30.2	Very low	132 Å²	132	139.6 Å²	139.6	89%	0.892	78%	0.78	S	S	*	*			trans	-93.6	117.8	153.8	-80.8	0	0	0	0	109.2
248	M	31.9	Very low	30.7	Very low	172 Å²	172	137.4 Å²	137.4	85%	0.847	77%	0.769	S	S	*	*			trans	-135.1	134.6	161.5	-77.4	-62.8	-72.4	0	0	108.1
249	G	26.4	Very low	30.9	Very low	77 Å²	77	133.8 Å²	133.8	79%	0.794	75%	0.754	S	S	*	*			trans	-78.6	133.6	-161.3	0	0	0	0	0	115.3
250	L	31.7	Very low	31	Very low	156 Å²	156	132.8 Å²	132.8	82%	0.817	76%	0.755	S	S	*	*			trans	-128	136.6	155.2	-74.4	171.8	0	0	0	108	L252	L250-L252 PolarHBondContact O-N 2.97Å
251	P	32.2	Very low	31.1	Very low	97 Å²	97	128.1 Å²	128.1	63%	0.63	73%	0.731	S	S	*	*			trans	-68	124.6	-179.3	26.8	-33.2	0	0	0	110.7	G253	P251-G253 PolarHBondContact O-N 3.38Å
252	L	31.8	Very low	31.2	Very low	153 Å²	153	124.5 Å²	124.5	80%	0.801	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	71.5	-180	-70.5	168	0	0	0	111.1	L250	L250-L252 PolarHBondContact O-N 2.97Å
253	G	34.7	Very low	31.3	Very low	35 Å²	35	127 Å²	127	36%	0.361	73%	0.731	S	S	.	*	T	Hydrogen-bonded Turn	trans	-157.3	-18.5	179.5	0	0	0	0	0	115.2	P251	P251-G253 PolarHBondContact O-N 3.38Å
254	R	28.3	Very low	31.3	Very low	235 Å²	235	124.4 Å²	124.4	89%	0.887	71%	0.714	S	S	*	*			trans	-87.6	109.2	171.1	-72	-168.9	177.9	-151.1	-1.7	110.8
255	C	32	Very low	31.8	Very low	81 Å²	81	129 Å²	129	55%	0.547	71%	0.71	S	S	.	*			trans	-71.6	130.4	160.9	-153	0	0	0	0	108.5	V259	C255-V259 VanDerWaalsContact SG-CG2 3.59Å
256	P	30.3	Very low	32.2	Very low	83 Å²	83	128.1 Å²	128.1	54%	0.539	70%	0.701	S	S	.	*			trans	-61.8	148.8	176.9	-23.6	34.3	0	0	0	111.7	H258 V259	P256-H258 PolarHBondContact O-N 2.81Å; P256-V259 PolarHBondContact O-N 3.42Å
257	P	32.4	Very low	33.1	Very low	135 Å²	135	124.3 Å²	124.3	88%	0.877	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-5.1	178.5	-26.8	35.7	0	0	0	115.9
258	H	36.8	Very low	34.8	Very low	140 Å²	140	120.8 Å²	120.8	65%	0.648	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-10	-177.4	-129.1	-67.2	0	0	0	115	P256 A260	P256-H258 PolarHBondContact O-N 2.81Å; H258-A260 VanDerWaalsContact C-N 3.33Å; H258-A260 PolarHBondContact O-N 3.12Å
259	V	37.2	Very low	36.6	Very low	95 Å²	95	117.1 Å²	117.1	58%	0.576	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-7	-171.4	-176.7	0	0	0	0	113.6	C255 P256 N261	C255-V259 VanDerWaalsContact SG-CG2 3.59Å; P256-V259 PolarHBondContact O-N 3.42Å; V259-N261 PolarHBondContact O-N 2.85Å; V259-N261 VanDerWaalsContact O-N 3.15Å
260	A	32.3	Very low	38.7	Very low	94 Å²	94	114.3 Å²	114.3	78%	0.777	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-4.3	168.7	0	0	0	0	0	114.3	H258 S262	H258-A260 VanDerWaalsContact C-N 3.33Å; H258-A260 PolarHBondContact O-N 3.12Å; A260-S262 PolarHBondContact O-N 3.06Å
261	N	30.5	Very low	40.3	Very low	83 Å²	83	113.7 Å²	113.7	44%	0.444	62%	0.616	S	S	.	*			trans	-94.7	37.5	-173.8	-83.3	-64.8	0	0	0	114.9	V259 L263 Y264	V259-N261 PolarHBondContact O-N 2.85Å; V259-N261 VanDerWaalsContact O-N 3.15Å; N261-L263 PolarHBondContact O-N 3.38Å; N261-Y264 PolarHBondContact O-N 3.22Å
262	S	33.2	Very low	42.2	Very low	107 Å²	107	117.7 Å²	117.7	75%	0.748	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	20.4	-179.6	70	0	0	0	0	115.5	A260	A260-S262 PolarHBondContact O-N 3.06Å
263	L	30.3	Very low	43.5	Very low	152 Å²	152	112.8 Å²	112.8	80%	0.796	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.2	1.9	179.2	-71	174.3	0	0	0	113.7	N261	N261-L263 PolarHBondContact O-N 3.38Å
264	Y	29	Very low	45.1	Very low	136 Å²	136	113 Å²	113	53%	0.533	61%	0.61	S	S	.	*			trans	-112.2	95.1	175.2	-77.6	-76.8	0	0	0	112.3	K178 N261 R266	K178-Y264 VanDerWaalsContact CD-OH 3.28Å; K178-Y264 WeakPolarHBondContact CD-OH 3.17Å; K178-Y264 WeakPolarHBondContact CE-OH 3.39Å; K178-Y264 PolarHBondContact NZ-OH 3.25Å; N261-Y264 PolarHBondContact O-N 3.22Å; Y264-R266 PolarHBondContact O-N 3.22Å; Y264-R266 VanDerWaalsContact O-N 3.14Å
265	R	38	Very low	47	Very low	194 Å²	194	107 Å²	107	73%	0.732	60%	0.6	S	S	*	*			trans	-64.2	109.7	163.7	-168	178.6	-163.1	-167.8	-0.2	107.8	V267	R265-V267 PolarHBondContact O-N 3.32Å
266	R	39.4	Very low	48.7	Very low	183 Å²	183	105 Å²	105	69%	0.691	58%	0.582	S	S	*	*			trans	-62.3	122.8	171	-72.7	-176.8	176.3	172.2	-1.4	108.3	Y264 A278	Y264-R266 PolarHBondContact O-N 3.22Å; Y264-R266 VanDerWaalsContact O-N 3.14Å; R266-A278 HydrophobicContact CB-CB 3.52Å; R266-A278 PolarHBondContact O-N 3.11Å
267	V	50.6	Low	50.9	Low	70 Å²	70	101.4 Å²	101.4	42%	0.424	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.9	132.8	174.5	167	0	0	0	0	107	R265 V269 V275 E276	R265-V267 PolarHBondContact O-N 3.32Å; V267-V269 HydrophobicContact CG1-CG2 4.43Å; V267-V275 HydrophobicContact CG1-CB 4.36Å; V267-V275 HydrophobicContact CG1-CG1 3.7Å; V267-E276 CarbonylContact C-O 3.57Å; V267-E276 VanDerWaalsContact CA-O 3.22Å; V267-E276 WeakPolarHBondContact CA-O 3.46Å
268	I	61.6	Low	52.6	Low	59 Å²	59	95.2 Å²	95.2	30%	0.303	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.1	168.3	-66.2	-176.9	0	0	0	107.2	E276 A278 H281	I268-E276 PolarHBondContact N-O 2.94Å; I268-E276 PolarHBondContact O-N 3.39Å; I268-A278 HydrophobicContact CD1-CB 4.23Å; I268-A278 HydrophobicContact CG1-CB 4.32Å; I268-H281 HydrophobicContact CB-CB 4.25Å; I268-H281 HydrophobicContact CD1-CB 3.92Å
269	V	69.8	Low	54.2	Low	94 Å²	94	94.2 Å²	94.2	57%	0.57	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	118.7	172.1	-177	0	0	0	0	107	V267 A274	V267-V269 HydrophobicContact CG1-CG2 4.43Å; V269-A274 CarbonylContact C-O 3.6Å; V269-A274 VanDerWaalsContact CA-O 3.3Å; V269-A274 WeakPolarHBondContact CA-O 3.36Å
270	T	70.3	Confident	55.9	Low	18 Å²	18	94.5 Å²	94.5	11%	0.11	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-69.5	162.6	177.8	67.9	0	0	0	0	110.7	E272 G273 A274 E276	T270-E272 PolarHBondContact O-N 3.31Å; T270-E272 PolarHBondContact OG1-N 2.92Å; T270-G273 PolarHBondContact O-N 2.96Å; T270-A274 HydrophobicContact CG2-CB 4.22Å; T270-A274 PolarHBondContact N-O 3.03Å; T270-A274 WeakPolarHBondContact OG1-CB 3.41Å; T270-A274 PolarHBondContact OG1-N 3.06Å; T270-A274 VanDerWaalsContact OG1-N 3.08Å; T270-E276 HydrophobicContact CG2-CG 4.12Å
271	P	66	Low	58	Low	144 Å²	144	93 Å²	93	94%	0.935	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-18.9	171.5	-25.8	36	0	0	0	114.2
272	E	72.7	Confident	60	Low	181 Å²	181	94.5 Å²	94.5	85%	0.846	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.7	177.5	-61	161.5	-178.6	0	0	112.7	T270	T270-E272 PolarHBondContact O-N 3.31Å; T270-E272 PolarHBondContact OG1-N 2.92Å
273	G	57.2	Low	61.9	Low	50 Å²	50	95.2 Å²	95.2	52%	0.515	49%	0.486	S	S	.	.			trans	82.8	7	-179	0	0	0	0	0	115.1	T270	T270-G273 PolarHBondContact O-N 2.96Å
274	A	69.2	Low	64	Low	38 Å²	38	92.6 Å²	92.6	31%	0.314	47%	0.469	S	S	.	.			trans	-74.4	141.6	177.1	0	0	0	0	0	111.3	V269 T270 E276	V269-A274 CarbonylContact C-O 3.6Å; V269-A274 VanDerWaalsContact CA-O 3.3Å; V269-A274 WeakPolarHBondContact CA-O 3.36Å; T270-A274 HydrophobicContact CG2-CB 4.22Å; T270-A274 PolarHBondContact N-O 3.03Å; T270-A274 WeakPolarHBondContact OG1-CB 3.41Å; T270-A274 PolarHBondContact OG1-N 3.06Å; T270-A274 VanDerWaalsContact OG1-N 3.08Å; A274-E276 HydrophobicContact CB-CG 4.48Å
275	V	68.9	Low	66	Low	111 Å²	111	92.2 Å²	92.2	67%	0.673	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	100.2	-175.7	163.2	0	0	0	0	108.5	V267	V267-V275 HydrophobicContact CG1-CB 4.36Å; V267-V275 HydrophobicContact CG1-CG1 3.7Å
276	E	68.1	Low	67.5	Low	38 Å²	38	87.8 Å²	87.8	18%	0.178	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	152.7	-176.6	-48.5	-160.6	147.2	0	0	110.3	V267 I268 T270 A274 K284	V267-E276 CarbonylContact C-O 3.57Å; V267-E276 VanDerWaalsContact CA-O 3.22Å; V267-E276 WeakPolarHBondContact CA-O 3.46Å; I268-E276 PolarHBondContact N-O 2.94Å; I268-E276 PolarHBondContact O-N 3.39Å; T270-E276 HydrophobicContact CG2-CG 4.12Å; A274-E276 HydrophobicContact CB-CG 4.48Å; E276-K284 IonicContact OE1-NZ 3.95Å; E276-K284 PolarHBondContact OE1-NZ 2.84Å; E276-K284 IonicContact OE2-NZ 2.71Å; E276-K284 PolarHBondContact OE2-NZ 3.34Å
277	S	75.9	Confident	69	Low	7 Å²	7	84.7 Å²	84.7	5%	0.049	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	151.9	170.2	65.3	0	0	0	0	111	D279 E280 H281	S277-D279 PolarHBondContact O-N 2.85Å; S277-E280 VanDerWaalsContact CB-OE2 3.27Å; S277-E280 WeakPolarHBondContact CB-OE2 3.32Å; S277-E280 PolarHBondContact N-OE2 3.09Å; S277-E280 PolarHBondContact O-N 2.66Å; S277-E280 VanDerWaalsContact OG-CG 3.24Å; S277-E280 WeakPolarHBondContact OG-CG 3.08Å; S277-E280 PolarHBondContact OG-N 3Å; S277-E280 PolarHBondContact OG-OE2 2.84Å; S277-H281 PolarHBondContact O-N 3.36Å
278	A	68.6	Low	69.8	Low	5 Å²	5	85.9 Å²	85.9	4%	0.041	47%	0.469	C	S	.	.	H	α-helix	trans	-59.2	-34.2	175.7	0	0	0	0	0	111.9	R266 I268 H281 E282	R266-A278 HydrophobicContact CB-CB 3.52Å; R266-A278 PolarHBondContact O-N 3.11Å; I268-A278 HydrophobicContact CD1-CB 4.23Å; I268-A278 HydrophobicContact CG1-CB 4.32Å; A278-H281 PolarHBondContact O-N 3.38Å; A278-E282 WeakPolarHBondContact O-CB 3.43Å; A278-E282 WeakPolarHBondContact O-CG 3.43Å; A278-E282 PolarHBondContact O-N 2.89Å
279	D	69.4	Low	69.5	Low	120 Å²	120	86 Å²	86	64%	0.642	47%	0.472	S	S	*	.	H	α-helix	trans	-63.4	-46.4	177.1	-40.9	-40.6	0	0	0	111	S277 H281 E282 Q283	S277-D279 PolarHBondContact O-N 2.85Å; D279-H281 VanDerWaalsContact C-N 3.3Å; D279-H281 PolarHBondContact O-N 2.68Å; D279-E282 PolarHBondContact O-N 3.39Å; D279-Q283 WeakPolarHBondContact O-CB 3.45Å; D279-Q283 PolarHBondContact O-N 2.98Å
280	E	73.2	Confident	68.3	Low	100 Å²	100	84.2 Å²	84.2	47%	0.467	47%	0.473	S	S	.	.	H	α-helix	trans	-63.5	-34.4	174.7	-72.3	159.7	142	0	0	112.2	S277 K284	S277-E280 VanDerWaalsContact CB-OE2 3.27Å; S277-E280 WeakPolarHBondContact CB-OE2 3.32Å; S277-E280 PolarHBondContact N-OE2 3.09Å; S277-E280 PolarHBondContact O-N 2.66Å; S277-E280 VanDerWaalsContact OG-CG 3.24Å; S277-E280 WeakPolarHBondContact OG-CG 3.08Å; S277-E280 PolarHBondContact OG-N 3Å; S277-E280 PolarHBondContact OG-OE2 2.84Å; E280-K284 VanDerWaalsContact O-CG 3.3Å; E280-K284 WeakPolarHBondContact O-CG 3.19Å; E280-K284 PolarHBondContact O-N 2.82Å
281	H	76.9	Confident	66.9	Low	62 Å²	62	90.4 Å²	90.4	29%	0.287	51%	0.505	S	S	.	.	H	α-helix	trans	-76.9	-39.8	179.6	-166.6	85.8	0	0	0	112.6	I268 S277 A278 D279 Q283 K284 F285	I268-H281 HydrophobicContact CB-CB 4.25Å; I268-H281 HydrophobicContact CD1-CB 3.92Å; S277-H281 PolarHBondContact O-N 3.36Å; A278-H281 PolarHBondContact O-N 3.38Å; D279-H281 VanDerWaalsContact C-N 3.3Å; D279-H281 PolarHBondContact O-N 2.68Å; H281-Q283 VanDerWaalsContact C-N 3.34Å; H281-K284 PolarHBondContact O-N 3.29Å; H281-F285 WeakPolarHBondContact O-CB 3.44Å; H281-F285 PolarHBondContact O-N 3.3Å
282	E	72.5	Confident	65.5	Low	115 Å²	115	88.6 Å²	88.6	54%	0.537	50%	0.495	S	S	.	.	H	α-helix	trans	-63.7	-40.1	170.6	-76.5	-176.3	-171.1	0	0	110.8	A278 D279 F285 L286	A278-E282 WeakPolarHBondContact O-CB 3.43Å; A278-E282 WeakPolarHBondContact O-CG 3.43Å; A278-E282 PolarHBondContact O-N 2.89Å; D279-E282 PolarHBondContact O-N 3.39Å; E282-F285 PolarHBondContact O-N 3.19Å; E282-L286 WeakPolarHBondContact O-CG 3.37Å; E282-L286 PolarHBondContact O-N 3.29Å
283	Q	72.8	Confident	63.7	Low	122 Å²	122	85.9 Å²	85.9	57%	0.57	50%	0.496	S	S	*	.	H	α-helix	trans	-57.3	-52.6	172.6	-162.6	86.4	59.4	0	0	110.9	D279 H281 F285 L286 D287	D279-Q283 WeakPolarHBondContact O-CB 3.45Å; D279-Q283 PolarHBondContact O-N 2.98Å; H281-Q283 VanDerWaalsContact C-N 3.34Å; Q283-F285 VanDerWaalsContact C-N 3.28Å; Q283-F285 PolarHBondContact O-N 3.31Å; Q283-L286 PolarHBondContact O-N 3.45Å; Q283-D287 VanDerWaalsContact O-CG 3.23Å; Q283-D287 PolarHBondContact O-N 2.73Å
284	K	74.6	Confident	62.5	Low	98 Å²	98	89.1 Å²	89.1	43%	0.426	51%	0.511	S	S	.	.	H	α-helix	trans	-61.4	-32.4	175.9	-73.7	175	-177.1	-173.9	0	113.5	E276 E280 H281 S288	E276-K284 IonicContact OE1-NZ 3.95Å; E276-K284 PolarHBondContact OE1-NZ 2.84Å; E276-K284 IonicContact OE2-NZ 2.71Å; E276-K284 PolarHBondContact OE2-NZ 3.34Å; E280-K284 VanDerWaalsContact O-CG 3.3Å; E280-K284 WeakPolarHBondContact O-CG 3.19Å; E280-K284 PolarHBondContact O-N 2.82Å; H281-K284 PolarHBondContact O-N 3.29Å; K284-S288 VanDerWaalsContact O-CB 3.27Å; K284-S288 WeakPolarHBondContact O-CB 3.45Å; K284-S288 PolarHBondContact O-N 3.01Å; K284-S288 PolarHBondContact O-OG 2.99Å
285	F	71.4	Confident	60.9	Low	127 Å²	127	91.7 Å²	91.7	56%	0.557	53%	0.533	S	S	*	.	H	α-helix	trans	-70.4	-39.8	175.9	-175.1	-97.2	0	0	0	111.6	H281 E282 Q283 S288 T289	H281-F285 WeakPolarHBondContact O-CB 3.44Å; H281-F285 PolarHBondContact O-N 3.3Å; E282-F285 PolarHBondContact O-N 3.19Å; Q283-F285 VanDerWaalsContact C-N 3.28Å; Q283-F285 PolarHBondContact O-N 3.31Å; F285-S288 PolarHBondContact O-N 2.75Å; F285-S288 PolarHBondContact O-OG 3.39Å; F285-T289 HydrophobicContact CD1-CG2 4.18Å; F285-T289 HydrophobicContact CD2-CG2 4.48Å; F285-T289 HydrophobicContact CE1-CG2 3.79Å; F285-T289 HydrophobicContact CE2-CG2 4.11Å; F285-T289 HydrophobicContact CZ-CG2 3.75Å; F285-T289 WeakPolarHBondContact O-CB 3.36Å; F285-T289 VanDerWaalsContact O-CG2 3.29Å; F285-T289 WeakPolarHBondContact O-CG2 3.41Å; F285-T289 PolarHBondContact O-N 3.29Å; F285-T289 PolarHBondContact O-OG1 3.2Å
286	L	68.7	Low	59.2	Low	102 Å²	102	95 Å²	95	53%	0.534	55%	0.545	S	S	.	.	H	α-helix	trans	-65.9	-43	172.7	-68.4	167.8	0	0	0	111.6	E282 Q283 S288 T289	E282-L286 WeakPolarHBondContact O-CG 3.37Å; E282-L286 PolarHBondContact O-N 3.29Å; Q283-L286 PolarHBondContact O-N 3.45Å; L286-S288 VanDerWaalsContact C-N 3.34Å; L286-S288 PolarHBondContact O-N 2.79Å; L286-T289 PolarHBondContact O-OG1 3Å
287	D	71	Confident	57.5	Low	118 Å²	118	102 Å²	102	63%	0.631	58%	0.578	S	S	*	*	H	α-helix	trans	-64.4	-36.9	176.9	-65.5	-26.3	0	0	0	112.2	Q283	Q283-D287 VanDerWaalsContact O-CG 3.23Å; Q283-D287 PolarHBondContact O-N 2.73Å
288	S	67.3	Low	55.5	Low	95 Å²	95	108.3 Å²	108.3	66%	0.664	62%	0.617	S	S	*	*	H	α-helix	trans	-87.6	-16.3	-179.1	57.8	0	0	0	0	115.2	K284 F285 L286 G290	K284-S288 VanDerWaalsContact O-CB 3.27Å; K284-S288 WeakPolarHBondContact O-CB 3.45Å; K284-S288 PolarHBondContact O-N 3.01Å; K284-S288 PolarHBondContact O-OG 2.99Å; F285-S288 PolarHBondContact O-N 2.75Å; F285-S288 PolarHBondContact O-OG 3.39Å; L286-S288 VanDerWaalsContact C-N 3.34Å; L286-S288 PolarHBondContact O-N 2.79Å; S288-G290 VanDerWaalsContact C-N 3.3Å
289	T	54.7	Low	53.9	Low	60 Å²	60	113.3 Å²	113.3	37%	0.368	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.3	-6.6	172.6	46.2	0	0	0	0	113.5	F285 L286 L291	F285-T289 HydrophobicContact CD1-CG2 4.18Å; F285-T289 HydrophobicContact CD2-CG2 4.48Å; F285-T289 HydrophobicContact CE1-CG2 3.79Å; F285-T289 HydrophobicContact CE2-CG2 4.11Å; F285-T289 HydrophobicContact CZ-CG2 3.75Å; F285-T289 WeakPolarHBondContact O-CB 3.36Å; F285-T289 VanDerWaalsContact O-CG2 3.29Å; F285-T289 WeakPolarHBondContact O-CG2 3.41Å; F285-T289 PolarHBondContact O-N 3.29Å; F285-T289 PolarHBondContact O-OG1 3.2Å; L286-T289 PolarHBondContact O-OG1 3Å; T289-L291 PolarHBondContact O-N 3.33Å
290	G	45.3	Very low	52.1	Low	57 Å²	57	112.9 Å²	112.9	59%	0.588	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.5	7.5	175.2	0	0	0	0	0	114.8	S288 S292	S288-G290 VanDerWaalsContact C-N 3.3Å; G290-S292 VanDerWaalsContact C-N 3.26Å; G290-S292 PolarHBondContact O-N 2.72Å; G290-S292 VanDerWaalsContact O-N 3.16Å
291	L	40.9	Very low	50.4	Low	148 Å²	148	113.8 Å²	113.8	78%	0.775	67%	0.673	S	S	*	*			trans	-90	46.5	-175.5	-71.1	169.2	0	0	0	112.6	T289	T289-L291 PolarHBondContact O-N 3.33Å
292	S	36.4	Very low	48.2	Very low	106 Å²	106	119.4 Å²	119.4	74%	0.741	70%	0.699	S	S	*	*			trans	-82.3	124.6	168.2	56.8	0	0	0	0	109.9	G290 S294	G290-S292 VanDerWaalsContact C-N 3.26Å; G290-S292 PolarHBondContact O-N 2.72Å; G290-S292 VanDerWaalsContact O-N 3.16Å; S292-S294 PolarHBondContact O-N 2.81Å; S292-S294 VanDerWaalsContact O-N 3.16Å
293	S	34.6	Very low	46.2	Very low	124 Å²	124	118.9 Å²	118.9	87%	0.867	71%	0.707	S	S	*	*			trans	-76.8	102.7	-174.6	56.8	0	0	0	0	111.7
294	S	33.2	Very low	44.3	Very low	118 Å²	118	121.3 Å²	121.3	83%	0.825	72%	0.718	S	S	*	*			trans	-78.4	138.1	172	54.5	0	0	0	0	112.2	S292	S292-S294 PolarHBondContact O-N 2.81Å; S292-S294 VanDerWaalsContact O-N 3.16Å
295	A	34.1	Very low	42.6	Very low	93 Å²	93	122.4 Å²	122.4	77%	0.769	74%	0.735	S	S	*	*			trans	159.3	103.3	136	0	0	0	0	0	111.9
296	L	33.6	Very low	41.1	Very low	179 Å²	179	121.7 Å²	121.7	94%	0.937	74%	0.743	S	S	*	*			trans	-170.5	73.1	142.9	-108.9	169.1	0	0	0	109.3
297	E	32.8	Very low	39.4	Very low	185 Å²	185	128.4 Å²	128.4	86%	0.864	76%	0.761	S	S	*	*			trans	-89	149.4	173.3	-65.8	-171.9	146.6	0	0	111.4
298	T	32.7	Very low	37.8	Very low	140 Å²	140	128.7 Å²	128.7	86%	0.859	77%	0.77	S	S	*	*			trans	-133.4	146.6	152.2	37.6	0	0	0	0	108.7
299	P	35.3	Very low	36.1	Very low	111 Å²	111	136 Å²	136	72%	0.721	78%	0.783	S	S	*	*			trans	-109.4	147.5	-139.9	38.8	-34.6	0	0	0	117
300	S	32.1	Very low	35.3	Very low	110 Å²	110	138.9 Å²	138.9	77%	0.769	80%	0.803	S	S	*	*			trans	54.6	119.3	140.3	66.2	0	0	0	0	122.2
301	S	37	Very low	34.8	Very low	119 Å²	119	141.4 Å²	141.4	83%	0.832	81%	0.811	S	S	*	*				-154.1	150.5	125.4	63.9	0	0	0	0	112.4
302	H	31.7	Very low	34.4	Very low	180 Å²	180	141.1 Å²	141.1	83%	0.833	81%	0.81	S	S	*	*			trans	-64.3	171.1	-178.7	-66.7	-102.1	0	0	0	113.6
303	C	30.9	Very low	34.2	Very low	105 Å²	105	145.5 Å²	145.5	71%	0.709	82%	0.816	S	S	*	*			cis	-155.6	179.7	27.3	-144.8	0	0	0	0	116.5
304	E	32.2	Very low	34.1	Very low	172 Å²	172	145.2 Å²	145.2	80%	0.804	81%	0.809	S	S	*	*			trans	-42.9	155.4	-170.7	-63.5	168.6	115.9	0	0	122.4
305	P	39.6	Very low	34.2	Very low	122 Å²	122	142.6 Å²	142.6	79%	0.792	80%	0.801	S	S	*	*			trans	-112.5	152.1	159.6	39.1	-29.7	0	0	0	114.4
306	P	39.1	Very low	34.3	Very low	112 Å²	112	144.4 Å²	144.4	73%	0.727	80%	0.798	S	S	*	*			trans	-137.4	119.8	164.4	35.3	-18.2	0	0	0	117.7
307	R	32.4	Very low	34.4	Very low	242 Å²	242	141.5 Å²	141.5	91%	0.913	78%	0.783	S	S	*	*			trans	59.9	135.8	135.3	-53.9	-179.1	-173.1	-149	-0.9	122.2
308	P	36.9	Very low	34.5	Very low	124 Å²	124	139 Å²	139	81%	0.805	78%	0.776	S	S	*	*			trans	-95.5	165.9	163.5	38.5	-34.5	0	0	0	113.4
309	R	32.8	Very low	34.4	Very low	248 Å²	248	138.3 Å²	138.3	94%	0.936	77%	0.765	S	S	*	*			trans	-164.6	162.4	149.2	-108.4	174.2	-160.7	-126.9	0.6	113.1
310	P	38.4	Very low	34.2	Very low	122 Å²	122	141 Å²	141	79%	0.792	77%	0.768	S	S	*	*			trans	-127.7	173	-161.9	44.4	-32	0	0	0	116.7
311	S	34.5	Very low	34	Very low	110 Å²	110	141.7 Å²	141.7	77%	0.769	77%	0.768	S	S	*	*			trans	-176.5	151.9	161.9	55.5	0	0	0	0	109.9
312	L	31.3	Very low	33.7	Very low	141 Å²	141	143.9 Å²	143.9	74%	0.738	77%	0.769	S	S	*	*			cis	-164.8	153.1	-17.6	-144.1	91.7	0	0	0	107
313	F	34	Very low	33.4	Very low	199 Å²	199	141.4 Å²	141.4	87%	0.873	76%	0.762	S	S	*	*			trans	176.5	160.7	132.6	-102.7	-67.9	0	0	0	110.6
314	T	32.2	Very low	33.3	Very low	117 Å²	117	141.2 Å²	141.2	72%	0.718	76%	0.762	S	S	*	*			trans	-136.8	162.4	-148.1	48.5	0	0	0	0	115.1
315	G	35	Very low	33.1	Very low	63 Å²	63	141.3 Å²	141.3	65%	0.649	76%	0.762	S	S	*	*			trans	142.7	92.2	175.9	0	0	0	0	0	109.9
316	D	36.4	Very low	32.5	Very low	132 Å²	132	142.2 Å²	142.2	71%	0.706	76%	0.761	S	S	*	*				73.5	129.4	72.5	-70.7	45.1	0	0	0	111.9
317	N	35.9	Very low	32	Very low	117 Å²	117	142.2 Å²	142.2	63%	0.626	76%	0.759	S	S	*	*			cis	-162.4	158.4	-0.2	-103.9	-27.8	0	0	0	112
318	N	33.9	Very low	31.8	Very low	134 Å²	134	136.5 Å²	136.5	72%	0.717	75%	0.751	S	S	*	*			trans	66.9	154.5	148.3	-65.1	-2.9	0	0	0	121.2
319	I	31.1	Very low	31.3	Very low	125 Å²	125	136.8 Å²	136.8	64%	0.641	75%	0.745	S	S	*	*			cis	-169.5	168.2	-36	-123.1	168.8	0	0	0	108.4
320	E	31.3	Very low	31.1	Very low	167 Å²	167	132.7 Å²	132.7	78%	0.78	74%	0.736	S	S	*	*			trans	59.4	117.8	170.5	-79.2	145.2	-140.1	0	0	117
321	T	26.7	Very low	30.8	Very low	124 Å²	124	135.6 Å²	135.6	76%	0.761	74%	0.739	S	S	*	*			cis	69.3	108.4	30.1	-37.8	0	0	0	0	115.4
322	L	31.7	Very low	30.7	Very low	166 Å²	166	136.5 Å²	136.5	87%	0.869	75%	0.745	S	S	*	*			trans	-168.7	167	138.7	-105.3	165.8	0	0	0	111.5
323	N	25.6	Very low	30.6	Very low	128 Å²	128	133.3 Å²	133.3	68%	0.684	75%	0.746	S	S	*	*			trans	-108.4	177	-161.3	-56	-40.9	0	0	0	114
324	S	27.9	Very low	30.5	Very low	101 Å²	101	130.9 Å²	130.9	71%	0.706	74%	0.742	S	S	*	*			trans	66.4	153.8	149.5	40.2	0	0	0	0	117.6
325	E	29.1	Very low	30.5	Very low	173 Å²	173	133.4 Å²	133.4	81%	0.808	74%	0.743	S	S	*	*			cis	-156.4	153	-2.6	-123.6	154.7	-145	0	0	111.7
326	D	27.4	Very low	30.1	Very low	141 Å²	141	138.8 Å²	138.8	75%	0.754	75%	0.75	S	S	*	*			trans	48	152.5	143.9	-94.7	-16.5	0	0	0	128
327	T	27.7	Very low	29.6	Very low	113 Å²	113	140.8 Å²	140.8	69%	0.693	75%	0.752	S	S	*	*			trans	74.8	112.5	151	47.4	0	0	0	0	123.7
328	T	27.4	Very low	29	Very low	122 Å²	122	145.9 Å²	145.9	75%	0.748	76%	0.763	S	S	*	*				33.3	148.7	122.7	65.9	0	0	0	0	121.3
329	I	27.6	Very low	28.6	Very low	130 Å²	130	144.6 Å²	144.6	67%	0.667	76%	0.76	S	S	*	*			cis	-171.8	160.9	35.9	-142.7	162.5	0	0	0	112.7
330	Q	28.1	Very low	28.4	Very low	162 Å²	162	145.8 Å²	145.8	76%	0.757	77%	0.767	S	S	*	*			trans	56.5	171.2	160.6	-73	165.3	16.2	0	0	119.8
331	Q	31.4	Very low	28.3	Very low	182 Å²	182	146.8 Å²	146.8	85%	0.85	77%	0.772	S	S	*	*			cis	171	123.5	-48.4	-107.7	-167.2	-0.3	0	0	108.3
332	S	33.4	Very low	28.6	Very low	129 Å²	129	146 Å²	146	90%	0.902	77%	0.766	S	S	*	*			trans	170.8	148.4	152.3	38.2	0	0	0	0	106.9
333	G	29.2	Very low	28.9	Very low	74 Å²	74	140.4 Å²	140.4	76%	0.763	74%	0.741	S	S	*	*			cis	105.8	130.7	46.1	0	0	0	0	0	107.8
334	N	31.2	Very low	29.4	Very low	148 Å²	148	139.3 Å²	139.3	79%	0.791	73%	0.732	S	S	*	*			cis	-167.7	175.2	12.1	-155.8	-20.9	0	0	0	111.2
335	K	33.4	Very low	30.1	Very low	170 Å²	170	137.8 Å²	137.8	74%	0.739	73%	0.726	S	S	*	*			trans	78.6	102.9	154.4	-69.1	173.5	-179.6	176.7	0	123.6
336	F	26.1	Very low	31	Very low	177 Å²	177	134.5 Å²	134.5	78%	0.776	71%	0.71	S	S	*	*				75.9	106.7	113.7	-94.2	-117	0	0	0	124.6
337	F	24.9	Very low	31.9	Very low	173 Å²	173	134.3 Å²	134.3	76%	0.759	70%	0.703	S	S	*	*				66.5	133.2	125.6	-87.4	-90	0	0	0	125.2
338	R	24.9	Very low	33	Very low	225 Å²	225	135.7 Å²	135.7	85%	0.849	70%	0.699	S	S	*	*			trans	98.5	138.7	155	-73.4	-177.9	171.2	158.6	-1.1	120.8
339	T	24.3	Very low	33.9	Very low	107 Å²	107	137 Å²	137	66%	0.656	70%	0.695	S	S	*	*			trans	65.7	112.8	159.2	44.8	0	0	0	0	122
340	D	28.3	Very low	34.8	Very low	149 Å²	149	139.2 Å²	139.2	80%	0.797	69%	0.694	S	S	*	*				56.2	64.4	126.4	-55.5	-0.9	0	0	0	120.8
341	H	27.6	Very low	35.7	Very low	189 Å²	189	133.6 Å²	133.6	88%	0.875	68%	0.68	S	S	*	*			trans	-123.4	111	166.6	-74.7	-23.9	0	0	0	115
342	V	33.2	Very low	36.2	Very low	106 Å²	106	132.7 Å²	132.7	64%	0.642	67%	0.67	S	S	*	*			trans	-59.2	133.5	170.8	174.8	0	0	0	0	110.5	Q346	V342-Q346 HydrophobicContact CG1-CB 3.75Å
343	S	37.7	Very low	36.9	Very low	50 Å²	50	130.8 Å²	130.8	35%	0.35	65%	0.649	S	S	.	*			trans	-61.6	149	-170	68.9	0	0	0	0	114.4	A345 Q346 K347	S343-A345 PolarHBondContact O-N 3.33Å; S343-Q346 PolarHBondContact O-N 3.16Å; S343-Q346 WeakPolarHBondContact OG-CG 3.45Å; S343-Q346 PolarHBondContact OG-N 2.95Å; S343-Q346 PolarHBondContact OG-OE1 3.35Å; S343-K347 PolarHBondContact O-N 3.49Å
344	E	37.4	Very low	37.7	Very low	104 Å²	104	131.9 Å²	131.9	49%	0.486	64%	0.637	S	S	.	*	H	α-helix	trans	-54.4	-33.5	169.9	-108.1	-66.8	105.5	0	0	112.4	Q346 K347 K348	E344-Q346 PolarHBondContact O-N 3.21Å; E344-K347 PolarHBondContact O-N 3.49Å; E344-K347 WeakPolarHBondContact OE1-CD 3.36Å; E344-K348 WeakPolarHBondContact O-CB 3.31Å; E344-K348 PolarHBondContact O-N 2.88Å; E344-K348 VanDerWaalsContact OE2-CE 3.29Å; E344-K348 WeakPolarHBondContact OE2-CE 3.44Å; E344-K348 IonicContact OE2-NZ 2.8Å; E344-K348 PolarHBondContact OE2-NZ 2.93Å
345	A	42.3	Very low	38.2	Very low	70 Å²	70	134 Å²	134	58%	0.579	63%	0.634	S	S	*	*	H	α-helix	trans	-62	-40.9	174.1	0	0	0	0	0	112.2	S343 K349	S343-A345 PolarHBondContact O-N 3.33Å; A345-K349 VanDerWaalsContact O-CB 3.26Å; A345-K349 WeakPolarHBondContact O-CB 3.42Å; A345-K349 PolarHBondContact O-N 3.11Å
346	Q	46.9	Very low	38.7	Very low	104 Å²	104	131.3 Å²	131.3	49%	0.486	62%	0.624	S	S	.	*	H	α-helix	trans	-72.5	-35.1	175.7	-73.7	158.9	-53.8	0	0	112.3	V342 S343 E344 K349 R350	V342-Q346 HydrophobicContact CG1-CB 3.75Å; S343-Q346 PolarHBondContact O-N 3.16Å; S343-Q346 WeakPolarHBondContact OG-CG 3.45Å; S343-Q346 PolarHBondContact OG-N 2.95Å; S343-Q346 PolarHBondContact OG-OE1 3.35Å; E344-Q346 PolarHBondContact O-N 3.21Å; Q346-K349 PolarHBondContact O-N 3.06Å; Q346-R350 PolarHBondContact O-N 3.4Å
347	K	47.2	Very low	39.4	Very low	137 Å²	137	129.6 Å²	129.6	60%	0.596	62%	0.62	S	S	*	*	H	α-helix	trans	-60	-50.2	169.8	-81.6	-178.9	175.6	174.8	0	111.5	S343 E344 K349 R350 G351	S343-K347 PolarHBondContact O-N 3.49Å; E344-K347 PolarHBondContact O-N 3.49Å; E344-K347 WeakPolarHBondContact OE1-CD 3.36Å; K347-K349 PolarHBondContact O-N 3.47Å; K347-R350 PolarHBondContact O-N 3.03Å; K347-G351 PolarHBondContact O-N 2.93Å
348	K	50.5	Low	40	Very low	142 Å²	142	131.3 Å²	131.3	62%	0.617	62%	0.622	S	S	*	*	H	α-helix	trans	-61.8	-39.1	176.2	-79.7	165.4	169.7	137.5	0	112.4	E344 G351 Y352	E344-K348 WeakPolarHBondContact O-CB 3.31Å; E344-K348 PolarHBondContact O-N 2.88Å; E344-K348 VanDerWaalsContact OE2-CE 3.29Å; E344-K348 WeakPolarHBondContact OE2-CE 3.44Å; E344-K348 IonicContact OE2-NZ 2.8Å; E344-K348 PolarHBondContact OE2-NZ 2.93Å; K348-G351 PolarHBondContact O-N 2.91Å; K348-Y352 PolarHBondContact O-N 2.94Å
349	K	46.7	Very low	40.7	Very low	150 Å²	150	125.6 Å²	125.6	65%	0.652	61%	0.612	S	S	*	*	H	α-helix	trans	-63.5	-42.7	175.4	-164.3	169.7	-175.9	177.6	0	112.6	A345 Q346 K347 I353	A345-K349 VanDerWaalsContact O-CB 3.26Å; A345-K349 WeakPolarHBondContact O-CB 3.42Å; A345-K349 PolarHBondContact O-N 3.11Å; Q346-K349 PolarHBondContact O-N 3.06Å; K347-K349 PolarHBondContact O-N 3.47Å; K349-I353 WeakPolarHBondContact O-CG1 3.49Å; K349-I353 PolarHBondContact O-N 2.84Å
350	R	45.3	Very low	41.2	Very low	175 Å²	175	125 Å²	125	66%	0.66	61%	0.612	S	S	*	*	H	α-helix	trans	-64.7	-40	170.4	-93.4	-175	166.5	-168.6	-3.7	112.5	Q346 K347 Y352 N354	Q346-R350 PolarHBondContact O-N 3.4Å; K347-R350 PolarHBondContact O-N 3.03Å; R350-Y352 VanDerWaalsContact C-N 3.34Å; R350-Y352 PolarHBondContact O-N 3.43Å; R350-N354 WeakPolarHBondContact O-CB 3.37Å; R350-N354 PolarHBondContact O-N 2.83Å
351	G	47.2	Very low	41.2	Very low	44 Å²	44	123.4 Å²	123.4	45%	0.454	61%	0.608	S	S	.	*	H	α-helix	trans	-61.3	-38.5	177.5	0	0	0	0	0	113.5	K347 K348 R355	K347-G351 PolarHBondContact O-N 2.93Å; K348-G351 PolarHBondContact O-N 2.91Å; G351-R355 PolarHBondContact O-N 2.86Å
352	Y	42.7	Very low	41.4	Very low	164 Å²	164	120.3 Å²	120.3	64%	0.643	60%	0.602	S	S	*	*	H	α-helix	trans	-69.7	-47.5	178.1	-147	-87.2	0	0	0	112.1	K348 R350 N354 R355 E356	K348-Y352 PolarHBondContact O-N 2.94Å; R350-Y352 VanDerWaalsContact C-N 3.34Å; R350-Y352 PolarHBondContact O-N 3.43Å; Y352-N354 VanDerWaalsContact C-N 3.33Å; Y352-N354 PolarHBondContact O-N 3.08Å; Y352-R355 WeakPolarHBondContact O-CA 3.37Å; Y352-R355 VanDerWaalsContact O-CB 3.27Å; Y352-R355 WeakPolarHBondContact O-CB 3.22Å; Y352-R355 PolarHBondContact O-N 3.47Å; Y352-E356 PolarHBondContact O-N 3.17Å; Y352-E356 VanDerWaalsContact O-N 3.14Å
353	I	48.9	Very low	41	Very low	88 Å²	88	120.9 Å²	120.9	45%	0.451	61%	0.611	S	S	.	*	H	α-helix	trans	-61.5	-41.2	179.2	-66.3	166.4	0	0	0	111	K349 R355 E356 M357	K349-I353 WeakPolarHBondContact O-CG1 3.49Å; K349-I353 PolarHBondContact O-N 2.84Å; I353-R355 PolarHBondContact O-N 2.8Å; I353-E356 PolarHBondContact O-N 2.88Å; I353-M357 HydrophobicContact CG2-CG 4.35Å; I353-M357 WeakPolarHBondContact O-CB 3.32Å; I353-M357 VanDerWaalsContact O-CG 3.29Å; I353-M357 WeakPolarHBondContact O-CG 3.43Å; I353-M357 PolarHBondContact O-N 3.5Å
354	N	44.2	Very low	40.6	Very low	98 Å²	98	124.9 Å²	124.9	52%	0.524	63%	0.633	S	S	.	*	H	α-helix	trans	-68	-9.7	174.3	-76.4	-12.6	0	0	0	114	R350 Y352 R358	R350-N354 WeakPolarHBondContact O-CB 3.37Å; R350-N354 PolarHBondContact O-N 2.83Å; Y352-N354 VanDerWaalsContact C-N 3.33Å; Y352-N354 PolarHBondContact O-N 3.08Å; N354-R358 WeakPolarHBondContact O-CD 3.47Å; N354-R358 VanDerWaalsContact O-CG 3.29Å; N354-R358 WeakPolarHBondContact O-CG 3.31Å
355	R	42.2	Very low	40.1	Very low	193 Å²	193	125.4 Å²	125.4	73%	0.728	65%	0.649	S	S	*	*	H	α-helix	trans	-92.7	-40.6	175.2	-147.8	173.9	-164	169.8	4.7	111.7	G351 Y352 I353 R358 T359	G351-R355 PolarHBondContact O-N 2.86Å; Y352-R355 WeakPolarHBondContact O-CA 3.37Å; Y352-R355 VanDerWaalsContact O-CB 3.27Å; Y352-R355 WeakPolarHBondContact O-CB 3.22Å; Y352-R355 PolarHBondContact O-N 3.47Å; I353-R355 PolarHBondContact O-N 2.8Å; R355-R358 PolarHBondContact O-N 3.45Å; R355-T359 PolarHBondContact O-N 3.22Å; R355-T359 PolarHBondContact O-OG1 3.16Å
356	E	44.5	Very low	39.2	Very low	113 Å²	113	128.5 Å²	128.5	53%	0.528	66%	0.66	S	S	.	*	H	α-helix	trans	-64.4	-44.6	171.1	-71.7	-176.8	110.9	0	0	111.7	Y352 I353 R358 T359 S360	Y352-E356 PolarHBondContact O-N 3.17Å; Y352-E356 VanDerWaalsContact O-N 3.14Å; I353-E356 PolarHBondContact O-N 2.88Å; E356-R358 PolarHBondContact O-N 3.29Å; E356-R358 VanDerWaalsContact O-N 3.16Å; E356-T359 WeakPolarHBondContact CA-OG1 3.38Å; E356-T359 PolarHBondContact O-N 2.92Å; E356-T359 VanDerWaalsContact O-N 3.12Å; E356-T359 PolarHBondContact O-OG1 2.88Å; E356-S360 PolarHBondContact O-N 3.16Å; E356-S360 PolarHBondContact O-OG 2.95Å
357	M	40.9	Very low	38.4	Very low	140 Å²	140	128.9 Å²	128.9	69%	0.69	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-20.2	177.7	-68.8	-67.6	-72.5	0	0	113.5	I353	I353-M357 HydrophobicContact CG2-CG 4.35Å; I353-M357 WeakPolarHBondContact O-CB 3.32Å; I353-M357 VanDerWaalsContact O-CG 3.29Å; I353-M357 WeakPolarHBondContact O-CG 3.43Å; I353-M357 PolarHBondContact O-N 3.5Å
358	R	37.5	Very low	37.3	Very low	209 Å²	209	132.9 Å²	132.9	79%	0.789	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-4.1	176.9	-74.6	-178.8	175.2	-179.2	-2.8	114.5	N354 R355 E356	N354-R358 WeakPolarHBondContact O-CD 3.47Å; N354-R358 VanDerWaalsContact O-CG 3.29Å; N354-R358 WeakPolarHBondContact O-CG 3.31Å; R355-R358 PolarHBondContact O-N 3.45Å; E356-R358 PolarHBondContact O-N 3.29Å; E356-R358 VanDerWaalsContact O-N 3.16Å
359	T	39.7	Very low	36.3	Very low	105 Å²	105	133.3 Å²	133.3	64%	0.644	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	-1.7	178.1	40.8	0	0	0	0	113.1	R355 E356	R355-T359 PolarHBondContact O-N 3.22Å; R355-T359 PolarHBondContact O-OG1 3.16Å; E356-T359 WeakPolarHBondContact CA-OG1 3.38Å; E356-T359 PolarHBondContact O-N 2.92Å; E356-T359 VanDerWaalsContact O-N 3.12Å; E356-T359 PolarHBondContact O-OG1 2.88Å
360	S	34.3	Very low	35.2	Very low	95 Å²	95	135.1 Å²	135.1	66%	0.664	70%	0.7	S	S	*	*	S	Bend	trans	-90.3	8.5	-177	-58.8	0	0	0	0	114.7	E356	E356-S360 PolarHBondContact O-N 3.16Å; E356-S360 PolarHBondContact O-OG 2.95Å
361	T	29.3	Very low	34.4	Very low	115 Å²	115	134.4 Å²	134.4	71%	0.706	71%	0.708	S	S	*	*			trans	-122	55.8	-170.4	56.6	0	0	0	0	113.5
362	V	30.6	Very low	33.4	Very low	125 Å²	125	138.9 Å²	138.9	76%	0.758	73%	0.727	S	S	*	*			trans	-132	110.3	163.5	-177.7	0	0	0	0	109.3
363	S	25.4	Very low	32.6	Very low	118 Å²	118	136 Å²	136	83%	0.825	74%	0.737	S	S	*	*			trans	-81.8	137.7	171	49.7	0	0	0	0	110.7
364	T	28.3	Very low	31.6	Very low	134 Å²	134	136.9 Å²	136.9	82%	0.822	75%	0.751	S	S	*	*			trans	-139.4	148.7	167.2	-38.8	0	0	0	0	110.1
365	S	26.6	Very low	30.7	Very low	115 Å²	115	140.2 Å²	140.2	80%	0.804	76%	0.763	S	S	*	*			trans	-101.5	161.1	-156.4	33.6	0	0	0	0	115.4
366	V	25.1	Very low	30.1	Very low	134 Å²	134	138.1 Å²	138.1	81%	0.812	77%	0.772	S	S	*	*			trans	-71.7	136.9	176.4	176.3	0	0	0	0	111.2
367	S	29.6	Very low	29.2	Very low	112 Å²	112	142.5 Å²	142.5	78%	0.783	78%	0.784	S	S	*	*			trans	-126.4	149.9	156.5	63.8	0	0	0	0	110.1
368	R	24.7	Very low	28.6	Very low	222 Å²	222	140.6 Å²	140.6	84%	0.838	78%	0.784	S	S	*	*			trans	-141.1	112.6	-170.5	177.6	-163.6	-72.4	170	-5.4	108.9
369	I	28.1	Very low	28.1	Very low	150 Å²	150	137.6 Å²	137.6	77%	0.769	78%	0.783	S	S	*	*			trans	-99.5	136.5	179.7	-64.4	174.6	0	0	0	110	I371	I369-I371 HydrophobicContact CG2-CD1 4.48Å; I369-I371 HydrophobicContact CG2-CG1 4.11Å
370	K	23.2	Very low	27.6	Very low	188 Å²	188	140.3 Å²	140.3	82%	0.817	79%	0.793	S	S	*	*			trans	-113.1	140.3	163.7	-75.5	179.4	171	-176.7	0	107.6
371	I	28.4	Very low	27.2	Very low	160 Å²	160	143 Å²	143	82%	0.821	80%	0.8	S	S	*	*			trans	-130	148.3	160.7	-62.2	-177.8	0	0	0	107.2	I369	I369-I371 HydrophobicContact CG2-CD1 4.48Å; I369-I371 HydrophobicContact CG2-CG1 4.11Å
372	T	26.5	Very low	27.2	Very low	138 Å²	138	142.7 Å²	142.7	85%	0.847	80%	0.802	S	S	*	*			trans	-114.4	170.7	-175.3	41.8	0	0	0	0	110.5
373	A	25.8	Very low	27.1	Very low	104 Å²	104	143.2 Å²	143.2	86%	0.86	80%	0.797	S	S	*	*			trans	-127.7	152.7	-164.9	0	0	0	0	0	114
374	S	28.3	Very low	27.2	Very low	107 Å²	107	142.2 Å²	142.2	75%	0.748	78%	0.782	S	S	*	*			trans	-146.4	117.6	165.6	42.5	0	0	0	0	107.3
375	E	26.1	Very low	27.3	Very low	167 Å²	167	140.1 Å²	140.1	78%	0.78	77%	0.773	S	S	*	*				70.4	104.6	92.1	-72.1	-159	133.9	0	0	115.7
376	V	29.4	Very low	27.4	Very low	149 Å²	149	141.5 Å²	141.5	90%	0.903	78%	0.777	S	S	*	*			trans	-142.4	156.6	134.5	177	0	0	0	0	107.1
377	R	24.6	Very low	27.6	Very low	206 Å²	206	138.3 Å²	138.3	78%	0.777	77%	0.771	S	S	*	*			trans	-112.9	-176.8	-176.1	-78.8	-176.4	165.5	103.4	-3.9	112.3
378	S	28.9	Very low	27.6	Very low	99 Å²	99	143.5 Å²	143.5	69%	0.692	78%	0.78	S	S	*	*			trans	74.8	141.4	155.4	55.7	0	0	0	0	119.3
379	D	27.4	Very low	27.9	Very low	146 Å²	146	137.7 Å²	137.7	78%	0.781	77%	0.77	S	S	*	*			cis	-166.7	178.4	-17.2	-99.3	-27.7	0	0	0	110.2
380	L	29.6	Very low	28.2	Very low	162 Å²	162	133.4 Å²	133.4	85%	0.848	76%	0.764	S	S	*	*			trans	93.8	148.4	161.4	-49.6	-177.5	0	0	0	118.7
381	N	25.6	Very low	29.2	Very low	153 Å²	153	130.6 Å²	130.6	82%	0.818	76%	0.757	S	S	*	*			trans	-137.9	154.8	-160.6	-45.2	-34.1	0	0	0	113.1
382	S	29.2	Very low	29.8	Very low	107 Å²	107	125.9 Å²	125.9	75%	0.748	74%	0.743	S	S	*	*			trans	171.6	126.4	140.5	48.7	0	0	0	0	107.4
383	E	28.4	Very low	30.5	Very low	136 Å²	136	120.6 Å²	120.6	64%	0.636	71%	0.71	S	S	*	*				69.5	133	53.2	-63	-179.7	157.9	0	0	112.2	A557	E383-A557 HydrophobicContact CB-CB 4.3Å; E383-A557 WeakPolarHBondContact OE2-CB 3.3Å
384	D	27.9	Very low	31.2	Very low	97 Å²	97	122.9 Å²	122.9	52%	0.519	70%	0.701	S	S	.	*			cis	-153	179.4	11.7	-163.6	7.3	0	0	0	112.9
385	S	29.2	Very low	32	Very low	91 Å²	91	121.4 Å²	121.4	64%	0.636	68%	0.679	S	S	*	*			trans	118.4	100.1	143	74.4	0	0	0	0	121.6
386	T	28.6	Very low	32.8	Very low	144 Å²	144	114.6 Å²	114.6	88%	0.883	65%	0.648	S	S	*	*			trans	70.5	99.3	136.3	59.7	0	0	0	0	122.3
387	G	29.9	Very low	33.5	Very low	67 Å²	67	109.3 Å²	109.3	69%	0.691	62%	0.62	S	S	*	*			trans	-171.9	109.3	158.7	0	0	0	0	0	113.1	P389	G387-P389 WeakPolarHBondContact O-CD 3.38Å; G387-P389 WeakPolarHBondContact O-CG 3.25Å
388	K	30.2	Very low	34.4	Very low	221 Å²	221	107.1 Å²	107.1	96%	0.961	62%	0.616	S	S	*	*			trans	-63.1	115	-167.2	-67	177.8	179.3	176.1	0	114.4
389	P	30.6	Very low	35	Very low	99 Å²	99	103.5 Å²	103.5	64%	0.643	59%	0.59	S	S	*	*			trans	-118.2	21.6	-179	32.6	-13.4	0	0	0	114.9	G387 D391	G387-P389 WeakPolarHBondContact O-CD 3.38Å; G387-P389 WeakPolarHBondContact O-CG 3.25Å; P389-D391 VanDerWaalsContact C-N 3.34Å; P389-D391 PolarHBondContact O-N 3.34Å
390	G	34.9	Very low	35.7	Very low	61 Å²	61	98.4 Å²	98.4	63%	0.629	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-14.6	-170.7	0	0	0	0	0	117.2
391	D	43.2	Very low	36.5	Very low	128 Å²	128	92.1 Å²	92.1	68%	0.684	54%	0.54	S	S	*	.	H	α-helix	trans	-85.1	-27.2	-172.6	-82.7	-45	0	0	0	114.6	P389 V393 K394 Y395	P389-D391 VanDerWaalsContact C-N 3.34Å; P389-D391 PolarHBondContact O-N 3.34Å; D391-V393 PolarHBondContact O-N 3.28Å; D391-K394 PolarHBondContact O-N 3.22Å; D391-Y395 WeakPolarHBondContact O-CB 3.25Å; D391-Y395 PolarHBondContact O-N 3.12Å
392	A	41.2	Very low	37	Very low	62 Å²	62	86 Å²	86	51%	0.512	51%	0.508	S	S	.	.	H	α-helix	trans	-61	-48.6	-171.1	0	0	0	0	0	112.9	Y395 L396	A392-Y395 PolarHBondContact O-N 3.3Å; A392-L396 WeakPolarHBondContact O-CB 3.29Å; A392-L396 WeakPolarHBondContact O-CD1 3.4Å; A392-L396 WeakPolarHBondContact O-CG 3.43Å; A392-L396 PolarHBondContact O-N 3.3Å
393	V	41.5	Very low	37.3	Very low	27 Å²	27	84 Å²	84	16%	0.164	49%	0.494	C	S	.	.	H	α-helix	trans	-70.5	-38.9	178.8	-176.2	0	0	0	0	111.6	D391 Y395 L396 A397 L547 T550 I551	D391-V393 PolarHBondContact O-N 3.28Å; V393-Y395 VanDerWaalsContact C-N 3.3Å; V393-Y395 PolarHBondContact O-N 3.08Å; V393-L396 PolarHBondContact O-N 3.39Å; V393-A397 PolarHBondContact O-N 3.14Å; V393-L547 HydrophobicContact CG1-CB 3.85Å; V393-L547 HydrophobicContact CG2-CB 4.05Å; V393-L547 HydrophobicContact CG2-CD2 4.02Å; V393-T550 VanDerWaalsContact CG2-OG1 3.31Å; V393-T550 WeakPolarHBondContact CG2-OG1 3.47Å; V393-I551 HydrophobicContact CB-CD1 3.91Å; V393-I551 HydrophobicContact CB-CG1 4.35Å; V393-I551 HydrophobicContact CG1-CD1 3.8Å; V393-I551 HydrophobicContact CG2-CD1 3.97Å; V393-I551 HydrophobicContact CG2-CG1 3.95Å
394	K	41.1	Very low	37.3	Very low	152 Å²	152	84.2 Å²	84.2	66%	0.661	50%	0.499	S	S	*	.	H	α-helix	trans	-61.6	-40.6	177	-137.6	173	-170.8	173.4	0	111	D391 K398	D391-K394 PolarHBondContact O-N 3.22Å; K394-K398 VanDerWaalsContact O-CB 3.23Å; K394-K398 WeakPolarHBondContact O-CB 3.48Å; K394-K398 PolarHBondContact O-N 3.19Å
395	Y	43.8	Very low	37.5	Very low	76 Å²	76	84.4 Å²	84.4	30%	0.298	51%	0.509	S	S	.	.	H	α-helix	trans	-66.2	-45.9	172.2	-174.5	-102.1	0	0	0	111.5	D391 A392 V393 A397 K398 V399 V606	D391-Y395 WeakPolarHBondContact O-CB 3.25Å; D391-Y395 PolarHBondContact O-N 3.12Å; A392-Y395 PolarHBondContact O-N 3.3Å; V393-Y395 VanDerWaalsContact C-N 3.3Å; V393-Y395 PolarHBondContact O-N 3.08Å; Y395-A397 PolarHBondContact O-N 3.45Å; Y395-K398 CarbonylContact O-C 3.55Å; Y395-K398 WeakPolarHBondContact O-CA 3.45Å; Y395-K398 WeakPolarHBondContact O-CB 3.22Å; Y395-K398 PolarHBondContact O-N 3.43Å; Y395-V399 HydrophobicContact CD1-CG1 4.34Å; Y395-V399 HydrophobicContact CD1-CG2 4.34Å; Y395-V399 HydrophobicContact CD2-CG1 4.42Å; Y395-V399 HydrophobicContact CE1-CG1 3.95Å; Y395-V399 HydrophobicContact CE1-CG2 4.29Å; Y395-V399 HydrophobicContact CE2-CG1 4.02Å; Y395-V399 WeakPolarHBondContact O-CG2 3.45Å; Y395-V399 PolarHBondContact O-N 3.47Å; Y395-V606 HydrophobicContact CD1-CG2 4.07Å; Y395-V606 HydrophobicContact CE1-CG2 3.97Å
396	L	43.6	Very low	37.4	Very low	24 Å²	24	86.3 Å²	86.3	13%	0.126	52%	0.516	C	S	.	.	H	α-helix	trans	-60.6	-40.2	178.9	-82.2	160.2	0	0	0	113.8	A392 V393 G400 V401 L547 V606	A392-L396 WeakPolarHBondContact O-CB 3.29Å; A392-L396 WeakPolarHBondContact O-CD1 3.4Å; A392-L396 WeakPolarHBondContact O-CG 3.43Å; A392-L396 PolarHBondContact O-N 3.3Å; V393-L396 PolarHBondContact O-N 3.39Å; L396-G400 PolarHBondContact O-N 3.42Å; L396-V401 HydrophobicContact CD2-CB 4.07Å; L396-V401 HydrophobicContact CD2-CG1 4.18Å; L396-V401 HydrophobicContact CD2-CG2 3.96Å; L396-V401 PolarHBondContact O-N 2.76Å; L396-V401 VanDerWaalsContact O-N 3.08Å; L396-L547 HydrophobicContact CB-CD1 4.33Å; L396-L547 HydrophobicContact CD1-CD1 4.33Å; L396-L547 HydrophobicContact CD1-CD2 3.45Å; L396-L547 VanDerWaalsContact CD1-CD2 3.45Å; L396-V606 HydrophobicContact CD2-CB 4.11Å; L396-V606 HydrophobicContact CD2-CG1 3.44Å; L396-V606 VanDerWaalsContact CD2-CG1 3.44Å; L396-V606 HydrophobicContact CD2-CG2 3.71Å; L396-V606 HydrophobicContact CG-CG2 4.18Å
397	A	45.1	Very low	37.3	Very low	37 Å²	37	84.6 Å²	84.6	31%	0.306	51%	0.51	S	S	.	.	H	α-helix	trans	-65.7	-44.4	169.5	0	0	0	0	0	111.5	V393 Y395 V399 G400	V393-A397 PolarHBondContact O-N 3.14Å; Y395-A397 PolarHBondContact O-N 3.45Å; A397-V399 VanDerWaalsContact C-N 3.32Å; A397-V399 PolarHBondContact O-N 3.04Å; A397-G400 PolarHBondContact O-N 2.93Å
398	K	41.5	Very low	37.2	Very low	161 Å²	161	92.3 Å²	92.3	70%	0.7	52%	0.518	S	S	*	.	H	α-helix	trans	-64.3	-29.7	178.9	-171.3	176.8	-177.8	179.8	0	113.8	K394 Y395 G400	K394-K398 VanDerWaalsContact O-CB 3.23Å; K394-K398 WeakPolarHBondContact O-CB 3.48Å; K394-K398 PolarHBondContact O-N 3.19Å; Y395-K398 CarbonylContact O-C 3.55Å; Y395-K398 WeakPolarHBondContact O-CA 3.45Å; Y395-K398 WeakPolarHBondContact O-CB 3.22Å; Y395-K398 PolarHBondContact O-N 3.43Å; K398-G400 VanDerWaalsContact C-N 3.34Å
399	V	42.1	Very low	37	Very low	23 Å²	23	91.7 Å²	91.7	14%	0.139	52%	0.515	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	15.7	172.4	-57.5	0	0	0	0	113.7	Y395 A397 V401 V606	Y395-V399 HydrophobicContact CD1-CG1 4.34Å; Y395-V399 HydrophobicContact CD1-CG2 4.34Å; Y395-V399 HydrophobicContact CD2-CG1 4.42Å; Y395-V399 HydrophobicContact CE1-CG1 3.95Å; Y395-V399 HydrophobicContact CE1-CG2 4.29Å; Y395-V399 HydrophobicContact CE2-CG1 4.02Å; Y395-V399 WeakPolarHBondContact O-CG2 3.45Å; Y395-V399 PolarHBondContact O-N 3.47Å; A397-V399 VanDerWaalsContact C-N 3.32Å; A397-V399 PolarHBondContact O-N 3.04Å; V399-V401 HydrophobicContact CG2-CG2 4.14Å; V399-V401 PolarHBondContact O-N 3.31Å; V399-V606 HydrophobicContact CG2-CG1 4.03Å
400	G	43.5	Very low	36.7	Very low	39 Å²	39	98 Å²	98	40%	0.402	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	12.6	165.1	0	0	0	0	0	116.5	L396 A397 K398 V402	L396-G400 PolarHBondContact O-N 3.42Å; A397-G400 PolarHBondContact O-N 2.93Å; K398-G400 VanDerWaalsContact C-N 3.34Å; G400-V402 VanDerWaalsContact C-N 3.27Å; G400-V402 PolarHBondContact O-N 2.97Å
401	V	45	Very low	36.4	Very low	30 Å²	30	100.6 Å²	100.6	18%	0.182	54%	0.535	C	S	.	.	S	Bend	trans	-72.1	-23.7	180	177.7	0	0	0	0	112	L396 V399 V606 L837	L396-V401 HydrophobicContact CD2-CB 4.07Å; L396-V401 HydrophobicContact CD2-CG1 4.18Å; L396-V401 HydrophobicContact CD2-CG2 3.96Å; L396-V401 PolarHBondContact O-N 2.76Å; L396-V401 VanDerWaalsContact O-N 3.08Å; V399-V401 HydrophobicContact CG2-CG2 4.14Å; V399-V401 PolarHBondContact O-N 3.31Å; V401-V606 HydrophobicContact CG2-CG1 3.8Å; V401-L837 HydrophobicContact CG2-CD1 4.31Å
402	V	37.1	Very low	35.7	Very low	23 Å²	23	100.8 Å²	100.8	14%	0.139	54%	0.541	C	S	.	.	S	Bend	trans	-132.2	135.8	173.4	-178.5	0	0	0	0	109.2	G400 A543 T544 L547	G400-V402 VanDerWaalsContact C-N 3.27Å; G400-V402 PolarHBondContact O-N 2.97Å; V402-A543 HydrophobicContact CG2-CB 4.02Å; V402-T544 WeakPolarHBondContact CG1-OG1 3.43Å; V402-L547 HydrophobicContact CG2-CD1 3.71Å
403	S	34.4	Very low	35.3	Very low	65 Å²	65	109.5 Å²	109.5	46%	0.455	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-79.9	128.9	168.1	42.3	0	0	0	0	110	S405	S403-S405 PolarHBondContact O-N 3.23Å
404	N	29.6	Very low	34.8	Very low	141 Å²	141	120.4 Å²	120.4	75%	0.754	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-53.4	125.3	173.3	-81.3	-9.7	0	0	0	109.7	V406	N404-V406 PolarHBondContact O-N 3.08Å
405	S	30.9	Very low	34.2	Very low	102 Å²	102	117 Å²	117	71%	0.713	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-60.9	124	-175.7	56.1	0	0	0	0	110.5	S403 S407	S403-S405 PolarHBondContact O-N 3.23Å; S405-S407 PolarHBondContact O-N 2.87Å
406	V	27	Very low	33.6	Very low	131 Å²	131	116.9 Å²	116.9	79%	0.794	63%	0.628	S	S	*	*			trans	-66.8	98.1	-178.9	178.5	0	0	0	0	108.6	N404 R408	N404-V406 PolarHBondContact O-N 3.08Å; V406-R408 PolarHBondContact O-N 3.48Å
407	S	27	Very low	33	Very low	107 Å²	107	125.6 Å²	125.6	75%	0.748	67%	0.666	S	S	*	*			trans	-64.1	84.7	173.6	-76.5	0	0	0	0	109.8	S405 K409	S405-S407 PolarHBondContact O-N 2.87Å; S407-K409 VanDerWaalsContact C-N 3.31Å; S407-K409 PolarHBondContact O-N 3.08Å
408	R	26.9	Very low	32.3	Very low	230 Å²	230	129.3 Å²	129.3	87%	0.868	69%	0.689	S	S	*	*			trans	-59	94.7	172.3	-82.1	-174.9	170	168	-0.7	108.5	V406 R410	V406-R408 PolarHBondContact O-N 3.48Å; R408-R410 PolarHBondContact O-N 3.46Å
409	K	26.1	Very low	31.9	Very low	208 Å²	208	128 Å²	128	90%	0.904	69%	0.694	S	S	*	*			trans	-65.8	78.3	-175.1	-163.1	173.9	-172	175.2	0	110.5	S407 S411	S407-K409 VanDerWaalsContact C-N 3.31Å; S407-K409 PolarHBondContact O-N 3.08Å; K409-S411 PolarHBondContact O-N 2.94Å
410	R	25.4	Very low	31.2	Very low	231 Å²	231	136.3 Å²	136.3	87%	0.872	72%	0.724	S	S	*	*			trans	-67.5	103.3	-173.2	-162.4	176.3	-169.5	178.1	3.1	109.2	R408 T412	R408-R410 PolarHBondContact O-N 3.46Å; R410-T412 PolarHBondContact O-N 3.19Å
411	S	28	Very low	30.7	Very low	116 Å²	116	140.6 Å²	140.6	81%	0.811	74%	0.744	S	S	*	*			trans	-56.8	105.2	-176.2	-178.5	0	0	0	0	111.8	K409 R413	K409-S411 PolarHBondContact O-N 2.94Å; S411-R413 PolarHBondContact O-N 3.07Å; S411-R413 VanDerWaalsContact O-N 3.14Å
412	T	29.1	Very low	29.8	Very low	132 Å²	132	146.6 Å²	146.6	81%	0.81	77%	0.768	S	S	*	*			trans	-82.7	82.5	-179.2	37.5	0	0	0	0	111.2	R410	R410-T412 PolarHBondContact O-N 3.19Å
413	R	31.9	Very low	29.5	Very low	245 Å²	245	153.4 Å²	153.4	93%	0.925	80%	0.802	S	S	*	*			trans	-64.2	134.8	159.2	-108	-178.6	170.5	-179.9	-3.5	109.2	S411	S411-R413 PolarHBondContact O-N 3.07Å; S411-R413 VanDerWaalsContact O-N 3.14Å
414	R	32.2	Very low	29.2	Very low	255 Å²	255	155.1 Å²	155.1	96%	0.962	81%	0.81	S	S	*	*			trans	-75.4	144.6	-167.8	-68.5	173.2	166.7	173.9	-6.2	113.8
415	G	28.8	Very low	29.1	Very low	80 Å²	80	154.2 Å²	154.2	83%	0.825	81%	0.81	S	S	*	*			trans	106.9	139.5	142.2	0	0	0	0	0	118.2
416	G	30.8	Very low	28.9	Very low	74 Å²	74	157.2 Å²	157.2	76%	0.763	81%	0.813	S	S	*	*			trans	93.1	69.6	170.6	0	0	0	0	0	115.2
417	K	31.7	Very low	29.2	Very low	208 Å²	208	158.5 Å²	158.5	90%	0.904	81%	0.814	S	S	*	*				57.9	118.9	85.8	-84.7	-165.7	173.2	-174.9	0	116.8
418	S	29.5	Very low	29.3	Very low	114 Å²	114	162.6 Å²	162.6	80%	0.797	82%	0.821	S	S	*	*			trans	69.9	146.1	152.7	-112.9	0	0	0	0	118.6
419	T	33.8	Very low	29.5	Very low	133 Å²	133	155.4 Å²	155.4	82%	0.816	82%	0.819	S	S	*	*			cis	-148.1	165.5	-7.6	-30	0	0	0	0	109.8
420	R	26.9	Very low	29.6	Very low	199 Å²	199	153.2 Å²	153.2	75%	0.751	82%	0.822	S	S	*	*			trans	-121.9	156.6	173.9	-145.8	-172.4	-169.1	169.6	7.9	109.7
421	P	32.4	Very low	29.9	Very low	128 Å²	128	145.6 Å²	145.6	83%	0.831	82%	0.816	S	S	*	*				-145.1	-161	96.4	36.9	-18.6	0	0	0	114.3
422	K	27.5	Very low	29.9	Very low	157 Å²	157	148.1 Å²	148.1	68%	0.683	82%	0.82	S	S	*	*			trans	-126.2	156.5	-178.1	-66.8	175.6	171.5	-178.3	0	111.5
423	L	30.6	Very low	30.1	Very low	165 Å²	165	151.1 Å²	151.1	86%	0.864	83%	0.825	S	S	*	*			trans	-161.3	109.2	149.5	-126.7	59.4	0	0	0	104.8
424	T	27.6	Very low	30	Very low	101 Å²	101	146.3 Å²	146.3	62%	0.62	82%	0.823	S	S	*	*				72	115.8	66.1	62.7	0	0	0	0	115.7
425	T	28.3	Very low	30.1	Very low	122 Å²	122	138 Å²	138	75%	0.748	82%	0.816	S	S	*	*			trans	64.5	150.4	157.2	15.4	0	0	0	0	117.4
426	E	26.6	Very low	30.3	Very low	165 Å²	165	141 Å²	141	77%	0.771	82%	0.819	S	S	*	*			cis	-159.5	-168.4	-2.9	-159.5	154.9	-117.2	0	0	110.8
427	I	33.3	Very low	30.2	Very low	159 Å²	159	141.9 Å²	141.9	82%	0.815	81%	0.814	S	S	*	*			trans	85.9	154	160.3	-63	168	0	0	0	117.6
428	Q	28.5	Very low	30.3	Very low	192 Å²	192	137.6 Å²	137.6	90%	0.897	81%	0.807	S	S	*	*			trans	-94.1	155.8	-169.5	-57.7	159	-5.8	0	0	112.1
429	G	31.2	Very low	30.3	Very low	80 Å²	80	136.8 Å²	136.8	83%	0.825	81%	0.807	S	S	*	*			trans	-176.5	131.1	166.6	0	0	0	0	0	112.4
430	V	27.2	Very low	30.4	Very low	162 Å²	162	136.8 Å²	136.8	98%	0.982	81%	0.807	S	S	*	*			trans	-98	125.9	172.2	175	0	0	0	0	108.5
431	G	31.4	Very low	30.6	Very low	71 Å²	71	135.8 Å²	135.8	73%	0.732	81%	0.81	S	S	*	*			trans	-167.3	120.6	174.5	0	0	0	0	0	111.4
432	N	28.2	Very low	30.7	Very low	169 Å²	169	135.1 Å²	135.1	90%	0.904	80%	0.804	S	S	*	*			trans	-87.4	120	168.7	-79.6	-19.2	0	0	0	108.8
433	E	34.6	Very low	31.4	Very low	194 Å²	194	134.2 Å²	134.2	91%	0.907	81%	0.805	S	S	*	*			trans	-136.9	147.6	152	-73.9	-157.4	159.7	0	0	110.6
434	T	29.5	Very low	31.9	Very low	145 Å²	145	135.2 Å²	135.2	89%	0.89	80%	0.802	S	S	*	*			trans	-100.6	116	-167	43.5	0	0	0	0	112.6
435	G	32.9	Very low	33	Very low	79 Å²	79	134.2 Å²	134.2	81%	0.814	79%	0.791	S	S	*	*			trans	-106.8	125.7	172.4	0	0	0	0	0	112.6
436	T	33.5	Very low	34.3	Very low	143 Å²	143	134.7 Å²	134.7	88%	0.877	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-71.9	134.1	-169.4	-51	0	0	0	0	114.2
437	S	28.8	Very low	35.7	Very low	94 Å²	94	127.7 Å²	127.7	66%	0.657	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-85.1	147.2	167.1	-178.4	0	0	0	0	111.1
438	P	34.5	Very low	37	Very low	118 Å²	118	123.4 Å²	123.4	77%	0.766	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-58.2	141.7	158	28.3	-34.4	0	0	0	109.4
439	A	28.9	Very low	38.5	Very low	96 Å²	96	115.4 Å²	115.4	79%	0.793	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-81	134.3	-173.8	0	0	0	0	0	112.1
440	V	35.4	Very low	40.1	Very low	134 Å²	134	119.3 Å²	119.3	81%	0.812	72%	0.717	S	S	*	*			trans	-108.1	120.4	156.7	177.9	0	0	0	0	105.9	V442	V440-V442 PolarHBondContact O-N 2.88Å
441	E	32.1	Very low	41.9	Very low	177 Å²	177	113 Å²	113	83%	0.827	68%	0.677	S	S	*	*			trans	-66	124.1	-172.5	-65.9	-173.2	125.7	0	0	111.7	I443	E441-I443 PolarHBondContact O-N 3.2Å; E441-I443 VanDerWaalsContact O-N 3.14Å
442	V	33.5	Very low	43.9	Very low	115 Å²	115	113.3 Å²	113.3	70%	0.697	67%	0.665	S	S	*	*			trans	-84	89.3	176.9	-177.6	0	0	0	0	108.6	V440 K444	V440-V442 PolarHBondContact O-N 2.88Å; V442-K444 HydrophobicContact CG1-CG 4.34Å; V442-K444 PolarHBondContact O-N 2.66Å
443	I	41.8	Very low	45.9	Very low	138 Å²	138	109.6 Å²	109.6	71%	0.708	65%	0.645	S	S	*	*			trans	-64	101.8	169.1	-54.9	179.6	0	0	0	108.1	E441 E445	E441-I443 PolarHBondContact O-N 3.2Å; E441-I443 VanDerWaalsContact O-N 3.14Å; I443-E445 VanDerWaalsContact C-N 3.34Å; I443-E445 HydrophobicContact CG2-CG 3.89Å; I443-E445 PolarHBondContact O-N 2.94Å; I443-E445 VanDerWaalsContact O-N 3.12Å
444	K	41.3	Very low	47.6	Very low	185 Å²	185	106 Å²	106	80%	0.804	63%	0.628	S	S	*	*			trans	-78.2	86.2	167.7	-69.7	-174.7	178.6	-178.1	0	108.5	V442 D446	V442-K444 HydrophobicContact CG1-CG 4.34Å; V442-K444 PolarHBondContact O-N 2.66Å; K444-D446 PolarHBondContact O-N 2.83Å
445	E	52	Low	49.4	Very low	80 Å²	80	101.7 Å²	101.7	37%	0.374	60%	0.598	S	S	.	*			trans	-66.2	100.3	164.7	-70.5	-145.2	118.8	0	0	108.8	I443 D447 N493	I443-E445 VanDerWaalsContact C-N 3.34Å; I443-E445 HydrophobicContact CG2-CG 3.89Å; I443-E445 PolarHBondContact O-N 2.94Å; I443-E445 VanDerWaalsContact O-N 3.12Å; E445-D447 PolarHBondContact O-N 3.33Å; E445-D447 VanDerWaalsContact O-N 3.15Å; E445-N493 PolarHBondContact OE1-ND2 2.82Å; E445-N493 PolarHBondContact OE2-ND2 3.01Å
446	D	54.1	Low	51.3	Low	132 Å²	132	99.9 Å²	99.9	71%	0.706	57%	0.567	S	S	*	*			trans	-73.9	99.7	172.2	-176.1	6.7	0	0	0	109.4	K444 G448 K495	K444-D446 PolarHBondContact O-N 2.83Å; D446-G448 PolarHBondContact OD1-N 3.06Å; D446-G448 VanDerWaalsContact OD1-N 3.17Å; D446-K495 WeakPolarHBondContact O-CE 3.42Å; D446-K495 PolarHBondContact O-NZ 2.73Å
447	D	57.8	Low	53.2	Low	19 Å²	19	100.5 Å²	100.5	10%	0.102	55%	0.553	C	S	.	*			trans	-93.1	-3.9	-178.5	-55.3	-31	0	0	0	112.6	E445 L449 R456 K495 I498	E445-D447 PolarHBondContact O-N 3.33Å; E445-D447 VanDerWaalsContact O-N 3.15Å; D447-L449 HydrophobicContact CB-CB 4.3Å; D447-L449 HydrophobicContact CB-CG 4.39Å; D447-L449 PolarHBondContact O-N 3.28Å; D447-R456 IonicContact OD2-CZ 3.63Å; D447-R456 VanDerWaalsContact OD2-CZ 3.32Å; D447-R456 IonicContact OD2-NE 3.84Å; D447-R456 PolarHBondContact OD2-NE 2.79Å; D447-R456 IonicContact OD2-NH2 2.63Å; D447-R456 PolarHBondContact OD2-NH2 2.93Å; D447-K495 WeakPolarHBondContact OD1-CE 3.49Å; D447-K495 WeakPolarHBondContact OD1-CG 3.34Å; D447-I498 HydrophobicContact CB-CD1 4.15Å
448	G	59.4	Low	55.3	Low	68 Å²	68	100 Å²	100	70%	0.701	54%	0.54	S	S	*	.	S	Bend	trans	67.1	2	-162.9	0	0	0	0	0	114.8	D446	D446-G448 PolarHBondContact OD1-N 3.06Å; D446-G448 VanDerWaalsContact OD1-N 3.17Å
449	L	60.5	Low	57.3	Low	24 Å²	24	94.7 Å²	94.7	13%	0.126	51%	0.505	C	S	.	.			trans	-106.8	124.3	179.7	-57.9	-167.5	0	0	0	112.2	D447 L451 R456 T494 I498 Y512	D447-L449 HydrophobicContact CB-CB 4.3Å; D447-L449 HydrophobicContact CB-CG 4.39Å; D447-L449 PolarHBondContact O-N 3.28Å; L449-L451 HydrophobicContact CB-CD1 3.89Å; L449-L451 HydrophobicContact CB-CG 4.02Å; L449-L451 HydrophobicContact CD1-CD1 3.76Å; L449-L451 PolarHBondContact O-N 2.79Å; L449-R456 PolarHBondContact O-NH2 2.92Å; L449-T494 HydrophobicContact CD1-CG2 4.2Å; L449-I498 HydrophobicContact CD1-CD1 3.63Å; L449-I498 HydrophobicContact CD1-CG1 4.15Å; L449-I498 HydrophobicContact CG-CD1 3.85Å; L449-Y512 HydrophobicContact CD1-CD1 4.36Å; L449-Y512 HydrophobicContact CD1-CD2 4.01Å; L449-Y512 HydrophobicContact CD1-CE1 4.44Å; L449-Y512 HydrophobicContact CD1-CE2 4.12Å; L449-Y512 HydrophobicContact CD1-CG 4.2Å; L449-Y512 HydrophobicContact CD2-CD2 4.34Å; L449-Y512 HydrophobicContact CD2-CE1 3.93Å; L449-Y512 HydrophobicContact CD2-CE2 3.61Å; L449-Y512 WeakPolarHBondContact CD2-OH 3.45Å
450	D	64.4	Low	59.8	Low	163 Å²	163	92 Å²	92	87%	0.872	48%	0.477	S	S	*	.			trans	-77.5	73.9	173.2	-165.7	22.9	0	0	0	110.8
451	L	65.4	Low	61.8	Low	29 Å²	29	88.2 Å²	88.2	15%	0.152	46%	0.457	C	S	.	.			trans	-123	143.4	179.6	-65.9	173.3	0	0	0	110.1	L449 E455 R456 L459	L449-L451 HydrophobicContact CB-CD1 3.89Å; L449-L451 HydrophobicContact CB-CG 4.02Å; L449-L451 HydrophobicContact CD1-CD1 3.76Å; L449-L451 PolarHBondContact O-N 2.79Å; L451-E455 HydrophobicContact CB-CB 4.28Å; L451-E455 HydrophobicContact CD2-CB 4.06Å; L451-R456 HydrophobicContact CB-CG 4.27Å; L451-R456 PolarHBondContact O-NH1 3.08Å; L451-L459 HydrophobicContact CD1-CD2 4.13Å
452	T	73.4	Confident	63.9	Low	77 Å²	77	80 Å²	80	47%	0.472	42%	0.418	S	S	.	.			trans	-70.6	159.2	166.3	61.9	0	0	0	0	111.4	E454 E455 R456	T452-E454 PolarHBondContact O-N 3.46Å; T452-E454 VanDerWaalsContact O-N 3.14Å; T452-E455 VanDerWaalsContact CB-OE2 3.29Å; T452-E455 WeakPolarHBondContact CB-OE2 3.36Å; T452-E455 VanDerWaalsContact CG2-OE2 3.32Å; T452-E455 WeakPolarHBondContact CG2-OE2 3.48Å; T452-E455 PolarHBondContact N-OE2 2.81Å; T452-E455 PolarHBondContact O-N 2.83Å; T452-E455 WeakPolarHBondContact OG1-CG 3.21Å; T452-E455 PolarHBondContact OG1-N 2.93Å; T452-E455 VanDerWaalsContact OG1-N 3.14Å; T452-E455 PolarHBondContact OG1-OE2 2.96Å; T452-R456 PolarHBondContact O-N 2.98Å
453	N	71	Confident	66.2	Low	91 Å²	91	74.6 Å²	74.6	49%	0.487	39%	0.386	S	S	.	.	H	α-helix	trans	-67	-11.2	175.2	-70.4	-11	0	0	0	113.7	R456 R457	N453-R456 PolarHBondContact OD1-NH1 3.36Å; N453-R457 PolarHBondContact O-NE 3.27Å; N453-R457 PolarHBondContact O-NH2 2.77Å
454	E	68.5	Low	68.1	Low	120 Å²	120	69.9 Å²	69.9	56%	0.561	36%	0.362	S	S	*	.	H	α-helix	trans	-85.9	-45.5	171.2	-170	159	-130.6	0	0	111	T452 R456 R457 H458	T452-E454 PolarHBondContact O-N 3.46Å; T452-E454 VanDerWaalsContact O-N 3.14Å; E454-R456 PolarHBondContact O-N 3.11Å; E454-R457 PolarHBondContact O-N 3.34Å; E454-H458 PolarHBondContact O-CD2 3.14Å; E454-H458 PolarHBondContact O-N 2.82Å
455	E	68	Low	69.6	Low	53 Å²	53	66.3 Å²	66.3	25%	0.248	35%	0.351	C	S	.	.	H	α-helix	trans	-58.8	-42.6	171	-72.9	161.5	115.6	0	0	112.2	L451 T452 R457 H458 L459 K516	L451-E455 HydrophobicContact CB-CB 4.28Å; L451-E455 HydrophobicContact CD2-CB 4.06Å; T452-E455 VanDerWaalsContact CB-OE2 3.29Å; T452-E455 WeakPolarHBondContact CB-OE2 3.36Å; T452-E455 VanDerWaalsContact CG2-OE2 3.32Å; T452-E455 WeakPolarHBondContact CG2-OE2 3.48Å; T452-E455 PolarHBondContact N-OE2 2.81Å; T452-E455 PolarHBondContact O-N 2.83Å; T452-E455 WeakPolarHBondContact OG1-CG 3.21Å; T452-E455 PolarHBondContact OG1-N 2.93Å; T452-E455 VanDerWaalsContact OG1-N 3.14Å; T452-E455 PolarHBondContact OG1-OE2 2.96Å; E455-R457 VanDerWaalsContact C-N 3.3Å; E455-R457 PolarHBondContact O-N 2.95Å; E455-H458 PolarHBondContact O-N 2.87Å; E455-L459 VanDerWaalsContact O-CB 3.3Å; E455-L459 WeakPolarHBondContact O-CB 3.24Å; E455-L459 PolarHBondContact O-N 2.82Å; E455-K516 WeakPolarHBondContact OE1-CE 3.37Å; E455-K516 IonicContact OE1-NZ 3.88Å; E455-K516 PolarHBondContact OE1-NZ 3.16Å
456	R	72.6	Confident	70.5	Confident	42 Å²	42	62.5 Å²	62.5	16%	0.158	33%	0.334	C	S	.	.	H	α-helix	trans	-52.1	-47.4	173.5	-76.6	-174.7	174.2	71.6	26.2	112.1	D447 L449 L451 T452 N453 E454 L460	D447-R456 IonicContact OD2-CZ 3.63Å; D447-R456 VanDerWaalsContact OD2-CZ 3.32Å; D447-R456 IonicContact OD2-NE 3.84Å; D447-R456 PolarHBondContact OD2-NE 2.79Å; D447-R456 IonicContact OD2-NH2 2.63Å; D447-R456 PolarHBondContact OD2-NH2 2.93Å; L449-R456 PolarHBondContact O-NH2 2.92Å; L451-R456 HydrophobicContact CB-CG 4.27Å; L451-R456 PolarHBondContact O-NH1 3.08Å; T452-R456 PolarHBondContact O-N 2.98Å; N453-R456 PolarHBondContact OD1-NH1 3.36Å; E454-R456 PolarHBondContact O-N 3.11Å; R456-L460 WeakPolarHBondContact O-CB 3.34Å; R456-L460 PolarHBondContact O-N 2.82Å
457	R	74.8	Confident	71.2	Confident	155 Å²	155	58.3 Å²	58.3	59%	0.585	31%	0.313	S	S	*	.	H	α-helix	trans	-68.2	-41.3	-179.9	-76.7	-173.8	-109.1	103.8	-4.3	112.2	N453 E454 E455 L460 S461	N453-R457 PolarHBondContact O-NE 3.27Å; N453-R457 PolarHBondContact O-NH2 2.77Å; E454-R457 PolarHBondContact O-N 3.34Å; E455-R457 VanDerWaalsContact C-N 3.3Å; E455-R457 PolarHBondContact O-N 2.95Å; R457-L460 PolarHBondContact O-N 2.83Å; R457-S461 WeakPolarHBondContact O-CB 3.27Å; R457-S461 PolarHBondContact O-N 2.94Å
458	H	71.7	Confident	71.8	Confident	84 Å²	84	58.6 Å²	58.6	39%	0.389	31%	0.314	S	S	.	.	H	α-helix	trans	-68.9	-35.1	177.3	-73.9	-55.7	0	0	0	113.1	E454 E455 F462 L519	E454-H458 PolarHBondContact O-CD2 3.14Å; E454-H458 PolarHBondContact O-N 2.82Å; E455-H458 PolarHBondContact O-N 2.87Å; H458-F462 VanDerWaalsContact O-CB 3.31Å; H458-F462 WeakPolarHBondContact O-CB 3.36Å; H458-F462 PolarHBondContact O-N 3.46Å; H458-L519 HydrophobicContact CB-CD1 4.24Å; H458-L519 HydrophobicContact CB-CD2 4.17Å
459	L	77.6	Confident	71.8	Confident	7 Å²	7	59.9 Å²	59.9	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-65	-47.7	172.6	-170.8	72.8	0	0	0	111	L451 E455 F462 F463 T494 L497 C515 L519	L451-L459 HydrophobicContact CD1-CD2 4.13Å; E455-L459 VanDerWaalsContact O-CB 3.3Å; E455-L459 WeakPolarHBondContact O-CB 3.24Å; E455-L459 PolarHBondContact O-N 2.82Å; L459-F462 PolarHBondContact O-N 2.97Å; L459-F463 HydrophobicContact CD1-CD2 3.9Å; L459-F463 HydrophobicContact CD1-CE2 3.7Å; L459-F463 HydrophobicContact CG-CD2 4.1Å; L459-F463 HydrophobicContact CG-CE2 4.31Å; L459-F463 WeakPolarHBondContact O-CD2 3.36Å; L459-F463 PolarHBondContact O-N 2.91Å; L459-T494 HydrophobicContact CD2-CG2 4.38Å; L459-L497 HydrophobicContact CD2-CD2 4.19Å; L459-L497 HydrophobicContact CG-CD2 4.18Å; L459-C515 HydrophobicContact CD1-CB 3.92Å; L459-L519 HydrophobicContact CB-CD1 4.11Å; L459-L519 HydrophobicContact CD1-CD1 4.08Å
460	L	80.3	Confident	72	Confident	38 Å²	38	59.2 Å²	59.2	20%	0.199	30%	0.298	C	S	.	.	H	α-helix	trans	-64.9	-41.2	-179.7	-169	67.4	0	0	0	112.5	R456 R457 N464 F491	R456-L460 WeakPolarHBondContact O-CB 3.34Å; R456-L460 PolarHBondContact O-N 2.82Å; R457-L460 PolarHBondContact O-N 2.83Å; L460-N464 WeakPolarHBondContact O-CB 3.41Å; L460-N464 PolarHBondContact O-N 2.9Å; L460-N464 VanDerWaalsContact O-N 3.12Å; L460-N464 PolarHBondContact O-ND2 2.86Å; L460-F491 HydrophobicContact CD1-CB 3.85Å
461	S	76.7	Confident	72.3	Confident	56 Å²	56	51.5 Å²	51.5	39%	0.392	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-51.3	170.8	164	0	0	0	0	110.8	R457 F463 N464 D465	R457-S461 WeakPolarHBondContact O-CB 3.27Å; R457-S461 PolarHBondContact O-N 2.94Å; S461-F463 VanDerWaalsContact C-N 3.34Å; S461-F463 PolarHBondContact O-N 2.88Å; S461-N464 PolarHBondContact O-N 3.22Å; S461-N464 VanDerWaalsContact O-N 3.13Å; S461-D465 WeakPolarHBondContact CA-OD2 3.42Å; S461-D465 WeakPolarHBondContact CB-OD2 3.14Å; S461-D465 VanDerWaalsContact O-CB 3.23Å; S461-D465 WeakPolarHBondContact O-CB 3.5Å; S461-D465 PolarHBondContact O-N 3.42Å; S461-D465 PolarHBondContact OG-OD2 3.47Å
462	F	77.4	Confident	72.6	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.018	26%	0.258	C	S	.	.	H	α-helix	trans	-55.2	-47	178.5	179.6	-102.6	0	0	0	112.8	H458 L459 N464 A466 L471 V474 I518 L519	H458-F462 VanDerWaalsContact O-CB 3.31Å; H458-F462 WeakPolarHBondContact O-CB 3.36Å; H458-F462 PolarHBondContact O-N 3.46Å; L459-F462 PolarHBondContact O-N 2.97Å; F462-N464 VanDerWaalsContact C-N 3.33Å; F462-N464 PolarHBondContact O-N 2.87Å; F462-A466 HydrophobicContact CD2-CB 4.03Å; F462-A466 HydrophobicContact CE2-CB 3.81Å; F462-A466 HydrophobicContact CZ-CB 4.13Å; F462-A466 WeakPolarHBondContact O-CB 3.27Å; F462-A466 PolarHBondContact O-N 2.89Å; F462-L471 HydrophobicContact CE1-CD2 4.22Å; F462-V474 HydrophobicContact CE1-CG2 3.79Å; F462-V474 HydrophobicContact CZ-CG2 3.88Å; F462-I518 HydrophobicContact CE2-CG2 4.14Å; F462-I518 HydrophobicContact CZ-CG2 4.33Å; F462-L519 HydrophobicContact CB-CD2 4.09Å; F462-L519 HydrophobicContact CG-CD2 4.47Å
463	F	80.7	Confident	72	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-70.4	-23.9	-179.1	-89	-86.6	0	0	0	114.3	L459 S461 I485 R489 F491 L497 M501 C515	L459-F463 HydrophobicContact CD1-CD2 3.9Å; L459-F463 HydrophobicContact CD1-CE2 3.7Å; L459-F463 HydrophobicContact CG-CD2 4.1Å; L459-F463 HydrophobicContact CG-CE2 4.31Å; L459-F463 WeakPolarHBondContact O-CD2 3.36Å; L459-F463 PolarHBondContact O-N 2.91Å; S461-F463 VanDerWaalsContact C-N 3.34Å; S461-F463 PolarHBondContact O-N 2.88Å; F463-I485 HydrophobicContact CD1-CG2 3.79Å; F463-I485 HydrophobicContact CE1-CD1 4.08Å; F463-I485 HydrophobicContact CE1-CG2 4.21Å; F463-R489 PolarHBondContact O-NE 3.38Å; F463-R489 PolarHBondContact O-NH2 2.9Å; F463-F491 HydrophobicContact CB-CD2 4.03Å; F463-F491 HydrophobicContact CB-CE2 4.12Å; F463-L497 HydrophobicContact CB-CD1 3.91Å; F463-L497 HydrophobicContact CB-CD2 4.07Å; F463-L497 HydrophobicContact CD1-CD1 3.73Å; F463-L497 HydrophobicContact CD1-CD2 4.48Å; F463-L497 HydrophobicContact CD2-CD1 4.45Å; F463-L497 HydrophobicContact CD2-CD2 3.74Å; F463-L497 HydrophobicContact CE1-CD1 4.36Å; F463-L497 HydrophobicContact CE2-CD2 4.3Å; F463-L497 HydrophobicContact CG-CD1 3.77Å; F463-L497 HydrophobicContact CG-CD2 3.83Å; F463-L497 HydrophobicContact CG-CG 4.47Å; F463-M501 HydrophobicContact CD1-SD 4.48Å; F463-M501 HydrophobicContact CE1-CE 3.88Å; F463-M501 HydrophobicContact CE1-SD 3.91Å; F463-M501 HydrophobicContact CZ-CE 4.16Å; F463-M501 HydrophobicContact CZ-SD 4.25Å; F463-C515 HydrophobicContact CE2-CB 4.07Å; F463-C515 WeakPolarHBondContact CE2-SG 3.49Å; F463-C515 VanDerWaalsContact CZ-SG 3.51Å
464	N	81.8	Confident	72	Confident	38 Å²	38	45.9 Å²	45.9	20%	0.203	23%	0.225	C	C	.	.	H	α-helix	trans	-87.4	-36.9	173.4	-79.2	-39.4	0	0	0	113.6	L460 S461 F462 R489 P490 F491	L460-N464 WeakPolarHBondContact O-CB 3.41Å; L460-N464 PolarHBondContact O-N 2.9Å; L460-N464 VanDerWaalsContact O-N 3.12Å; L460-N464 PolarHBondContact O-ND2 2.86Å; S461-N464 PolarHBondContact O-N 3.22Å; S461-N464 VanDerWaalsContact O-N 3.13Å; F462-N464 VanDerWaalsContact C-N 3.33Å; F462-N464 PolarHBondContact O-N 2.87Å; N464-R489 WeakPolarHBondContact O-CD 3.39Å; N464-R489 PolarHBondContact O-NE 3.35Å; N464-R489 VanDerWaalsContact O-NE 3.16Å; N464-R489 PolarHBondContact O-NH1 2.87Å; N464-R489 VanDerWaalsContact O-NH1 3.16Å; N464-P490 WeakPolarHBondContact OD1-CA 3.39Å; N464-F491 PolarHBondContact ND2-O 2.93Å; N464-F491 WeakPolarHBondContact OD1-CD2 3.48Å; N464-F491 PolarHBondContact OD1-N 2.8Å
465	D	73.8	Confident	72	Confident	110 Å²	110	43.5 Å²	43.5	59%	0.588	22%	0.22	S	C	*	.	H	α-helix	trans	-99.1	-26.2	-166.2	-54.8	-35.5	0	0	0	113.7	S461	S461-D465 WeakPolarHBondContact CA-OD2 3.42Å; S461-D465 WeakPolarHBondContact CB-OD2 3.14Å; S461-D465 VanDerWaalsContact O-CB 3.23Å; S461-D465 WeakPolarHBondContact O-CB 3.5Å; S461-D465 PolarHBondContact O-N 3.42Å; S461-D465 PolarHBondContact OG-OD2 3.47Å
466	A	70.7	Confident	72	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.008	24%	0.242	C	C	.	.			trans	-62.8	138.1	-174.6	0	0	0	0	0	112.6	F462 E470 L471 R489	F462-A466 HydrophobicContact CD2-CB 4.03Å; F462-A466 HydrophobicContact CE2-CB 3.81Å; F462-A466 HydrophobicContact CZ-CB 4.13Å; F462-A466 WeakPolarHBondContact O-CB 3.27Å; F462-A466 PolarHBondContact O-N 2.89Å; A466-E470 HydrophobicContact CB-CB 3.86Å; A466-L471 HydrophobicContact CB-CD2 4.15Å; A466-L471 HydrophobicContact CB-CG 4.15Å; A466-R489 PolarHBondContact O-NH1 2.88Å; A466-R489 PolarHBondContact O-NH2 2.71Å
467	V	69.5	Low	72	Confident	43 Å²	43	42.8 Å²	42.8	26%	0.261	24%	0.238	S	C	.	.			trans	-70.7	167.9	172.6	-62.5	0	0	0	0	111.8	E469 E470 L471	V467-E469 WeakPolarHBondContact CB-OE2 3.35Å; V467-E469 HydrophobicContact CG2-CB 4.17Å; V467-E469 WeakPolarHBondContact CG2-OE2 2.94Å; V467-E469 PolarHBondContact O-N 3.17Å; V467-E470 HydrophobicContact CG2-CB 3.99Å; V467-E470 HydrophobicContact CG2-CG 3.73Å; V467-E470 PolarHBondContact O-N 3.47Å; V467-E470 VanDerWaalsContact O-N 3.11Å; V467-L471 PolarHBondContact O-N 3.02Å; V467-L471 VanDerWaalsContact O-N 3.07Å
468	L	69.2	Low	72.2	Confident	26 Å²	26	38.1 Å²	38.1	14%	0.136	23%	0.229	C	C	.	.	H	α-helix	trans	-55.5	-40.2	-177.3	-180	66.1	0	0	0	111.2	L471 T472 A482 Q483 I486	L468-L471 PolarHBondContact O-N 3.1Å; L468-T472 WeakPolarHBondContact O-CG2 3.45Å; L468-T472 PolarHBondContact O-N 3.38Å; L468-T472 VanDerWaalsContact O-N 3.1Å; L468-A482 HydrophobicContact CD1-CB 3.72Å; L468-Q483 HydrophobicContact CD1-CB 4.1Å; L468-I486 HydrophobicContact CB-CD1 3.67Å; L468-I486 HydrophobicContact CD1-CD1 3.92Å; L468-I486 HydrophobicContact CG-CD1 4.4Å
469	E	60.5	Low	72.2	Confident	94 Å²	94	41.4 Å²	41.4	44%	0.439	24%	0.238	S	C	.	.	H	α-helix	trans	-62.9	-52.3	177.9	-59	65	-142.6	0	0	109.8	V467 L471 T472 L473	V467-E469 WeakPolarHBondContact CB-OE2 3.35Å; V467-E469 HydrophobicContact CG2-CB 4.17Å; V467-E469 WeakPolarHBondContact CG2-OE2 2.94Å; V467-E469 PolarHBondContact O-N 3.17Å; E469-L471 PolarHBondContact O-N 3.4Å; E469-T472 PolarHBondContact O-N 2.87Å; E469-T472 PolarHBondContact O-OG1 2.88Å; E469-L473 VanDerWaalsContact O-CD1 3.32Å; E469-L473 WeakPolarHBondContact O-CD1 3.43Å; E469-L473 VanDerWaalsContact O-CG 3.24Å; E469-L473 WeakPolarHBondContact O-CG 3.34Å; E469-L473 PolarHBondContact O-N 3.08Å
470	E	63.5	Low	72.2	Confident	11 Å²	11	48.8 Å²	48.8	5%	0.051	27%	0.27	C	S	.	.	H	α-helix	trans	-58	-33.7	178.3	-78.1	-175.9	-164.9	0	0	112.8	A466 V467 L473 R522 Y798 S818	A466-E470 HydrophobicContact CB-CB 3.86Å; V467-E470 HydrophobicContact CG2-CB 3.99Å; V467-E470 HydrophobicContact CG2-CG 3.73Å; V467-E470 PolarHBondContact O-N 3.47Å; V467-E470 VanDerWaalsContact O-N 3.11Å; E470-L473 PolarHBondContact O-N 3.21Å; E470-R522 IonicContact OE1-NH2 2.77Å; E470-R522 PolarHBondContact OE1-NH2 2.99Å; E470-R522 IonicContact OE2-CZ 3.85Å; E470-R522 IonicContact OE2-NH1 3.83Å; E470-R522 IonicContact OE2-NH2 2.69Å; E470-R522 PolarHBondContact OE2-NH2 2.92Å; E470-Y798 HydrophobicContact CG-CE1 4.27Å; E470-S818 VanDerWaalsContact OE1-CB 3.31Å; E470-S818 WeakPolarHBondContact OE1-CB 3.42Å; E470-S818 PolarHBondContact OE1-OG 3.04Å
471	L	72.1	Confident	72.2	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-69.9	-43.5	172.8	-69.3	172.3	0	0	0	112.2	F462 A466 V467 L468 E469 L473 V474 C477 A482 I485 I486	F462-L471 HydrophobicContact CE1-CD2 4.22Å; A466-L471 HydrophobicContact CB-CD2 4.15Å; A466-L471 HydrophobicContact CB-CG 4.15Å; V467-L471 PolarHBondContact O-N 3.02Å; V467-L471 VanDerWaalsContact O-N 3.07Å; L468-L471 PolarHBondContact O-N 3.1Å; E469-L471 PolarHBondContact O-N 3.4Å; L471-L473 PolarHBondContact O-N 3.4Å; L471-V474 WeakPolarHBondContact O-CB 3.43Å; L471-V474 WeakPolarHBondContact O-CG2 3.38Å; L471-V474 PolarHBondContact O-N 3.19Å; L471-C477 WeakPolarHBondContact O-CB 2.97Å; L471-C477 PolarHBondContact O-SG 3.16Å; L471-A482 HydrophobicContact CB-CB 3.65Å; L471-A482 HydrophobicContact CD1-CB 4.49Å; L471-I485 HydrophobicContact CD1-CB 4Å; L471-I485 HydrophobicContact CD1-CG2 3.66Å; L471-I485 HydrophobicContact CD2-CG2 3.98Å; L471-I485 HydrophobicContact CG-CG2 4.49Å; L471-I486 HydrophobicContact CD1-CD1 4.16Å; L471-I486 HydrophobicContact CD1-CG1 3.67Å
472	T	69.8	Low	72.2	Confident	29 Å²	29	44.9 Å²	44.9	18%	0.178	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-10.6	175.7	62	0	0	0	0	114.7	L468 E469 W479 A482	L468-T472 WeakPolarHBondContact O-CG2 3.45Å; L468-T472 PolarHBondContact O-N 3.38Å; L468-T472 VanDerWaalsContact O-N 3.1Å; E469-T472 PolarHBondContact O-N 2.87Å; E469-T472 PolarHBondContact O-OG1 2.88Å; T472-W479 HydrophobicContact CG2-CB 4.25Å; T472-A482 HydrophobicContact CG2-CB 3.54Å
473	L	62.3	Low	72.4	Confident	43 Å²	43	47.6 Å²	47.6	23%	0.225	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-8.3	177.1	-64.5	159.1	0	0	0	112.3	E469 E470 L471 I797	E469-L473 VanDerWaalsContact O-CD1 3.32Å; E469-L473 WeakPolarHBondContact O-CD1 3.43Å; E469-L473 VanDerWaalsContact O-CG 3.24Å; E469-L473 WeakPolarHBondContact O-CG 3.34Å; E469-L473 PolarHBondContact O-N 3.08Å; E470-L473 PolarHBondContact O-N 3.21Å; L471-L473 PolarHBondContact O-N 3.4Å; L473-I797 HydrophobicContact CB-CG2 4.2Å; L473-I797 HydrophobicContact CD1-CG2 3.42Å; L473-I797 VanDerWaalsContact CD1-CG2 3.42Å; L473-I797 HydrophobicContact CD2-CB 4.39Å; L473-I797 HydrophobicContact CD2-CG1 4.19Å; L473-I797 HydrophobicContact CD2-CG2 3.89Å; L473-I797 HydrophobicContact CG-CG2 4.01Å
474	V	71.2	Confident	72.4	Confident	6 Å²	6	48.8 Å²	48.8	4%	0.036	27%	0.268	C	S	.	.	S	Bend	trans	-70.7	127	167.1	-178	0	0	0	0	109.6	F462 L471 G476 C477 L511 C514 C515 I518	F462-V474 HydrophobicContact CE1-CG2 3.79Å; F462-V474 HydrophobicContact CZ-CG2 3.88Å; L471-V474 WeakPolarHBondContact O-CB 3.43Å; L471-V474 WeakPolarHBondContact O-CG2 3.38Å; L471-V474 PolarHBondContact O-N 3.19Å; V474-G476 PolarHBondContact O-N 2.75Å; V474-C477 HydrophobicContact CB-CB 3.89Å; V474-C477 WeakPolarHBondContact O-CB 3.26Å; V474-C477 PolarHBondContact O-N 3.19Å; V474-L511 HydrophobicContact CG1-CD2 4.01Å; V474-C514 HydrophobicContact CG1-CB 3.82Å; V474-C515 VanDerWaalsContact CG1-SG 3.57Å; V474-I518 HydrophobicContact CB-CD1 4.19Å; V474-I518 HydrophobicContact CG2-CD1 3.79Å
475	P	66.8	Low	72.4	Confident	71 Å²	71	47 Å²	47	46%	0.461	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	128	173.9	-27	34.3	0	0	0	112.2	C477 C514	P475-C477 VanDerWaalsContact C-N 3.33Å; P475-C514 HydrophobicContact CB-CB 4.08Å; P475-C514 HydrophobicContact CG-CB 4.37Å; P475-C514 WeakPolarHBondContact O-CB 3.38Å
476	G	68.8	Low	72.8	Confident	69 Å²	69	44 Å²	44	71%	0.711	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.1	-7.8	-175.7	0	0	0	0	0	115.4	V474 S478	V474-G476 PolarHBondContact O-N 2.75Å; G476-S478 PolarHBondContact O-N 2.95Å
477	C	73.5	Confident	73.4	Confident	11 Å²	11	49.5 Å²	49.5	7%	0.074	27%	0.272	C	S	.	.			trans	-88.7	105.1	176.7	-157.1	0	0	0	0	111.8	L471 V474 P475 T481 L511	L471-C477 WeakPolarHBondContact O-CB 2.97Å; L471-C477 PolarHBondContact O-SG 3.16Å; V474-C477 HydrophobicContact CB-CB 3.89Å; V474-C477 WeakPolarHBondContact O-CB 3.26Å; V474-C477 PolarHBondContact O-N 3.19Å; P475-C477 VanDerWaalsContact C-N 3.33Å; C477-T481 PolarHBondContact SG-OG1 3.31Å; C477-L511 HydrophobicContact CB-CD2 3.78Å
478	S	78	Confident	73.9	Confident	57 Å²	57	49 Å²	49	40%	0.399	27%	0.267	S	S	.	.			trans	-71.8	162.7	168.6	74	0	0	0	0	111.9	G476 K480 T481 A482	G476-S478 PolarHBondContact O-N 2.95Å; S478-K480 PolarHBondContact O-N 3.45Å; S478-K480 PolarHBondContact OG-N 3.42Å; S478-T481 PolarHBondContact N-OG1 3.44Å; S478-T481 PolarHBondContact O-N 3.48Å; S478-T481 VanDerWaalsContact O-N 3.08Å; S478-T481 PolarHBondContact O-OG1 3.41Å; S478-T481 PolarHBondContact OG-N 3.14Å; S478-T481 VanDerWaalsContact OG-N 3.1Å; S478-T481 PolarHBondContact OG-OG1 2.85Å; S478-A482 WeakPolarHBondContact O-CB 3.32Å; S478-A482 PolarHBondContact O-N 3.07Å
479	W	72.3	Confident	74.5	Confident	152 Å²	152	50.9 Å²	50.9	58%	0.576	27%	0.272	S	S	*	.	H	α-helix	trans	-53.2	-39.8	170.5	-177.3	88.3	0	0	0	113.2	T472 T481 A482 Q483	T472-W479 HydrophobicContact CG2-CB 4.25Å; W479-T481 PolarHBondContact O-N 2.94Å; W479-A482 PolarHBondContact O-N 2.66Å; W479-Q483 WeakPolarHBondContact O-CB 3.39Å; W479-Q483 PolarHBondContact O-N 2.76Å
480	K	76.6	Confident	75.5	Confident	163 Å²	163	51.3 Å²	51.3	71%	0.709	28%	0.283	S	S	*	.	H	α-helix	trans	-65.9	-38.1	177.6	-67.7	-173.3	176.9	-175.4	0	112.5	S478 A484	S478-K480 PolarHBondContact O-N 3.45Å; S478-K480 PolarHBondContact OG-N 3.42Å; K480-A484 WeakPolarHBondContact O-CB 3.44Å; K480-A484 PolarHBondContact O-N 2.9Å; K480-A484 VanDerWaalsContact O-N 3.08Å
481	T	80.1	Confident	76.4	Confident	12 Å²	12	51.1 Å²	51.1	7%	0.074	28%	0.282	C	S	.	.	H	α-helix	trans	-79.1	-33.1	179.3	49.8	0	0	0	0	112	C477 S478 W479 A484 I485 H506 L507	C477-T481 PolarHBondContact SG-OG1 3.31Å; S478-T481 PolarHBondContact N-OG1 3.44Å; S478-T481 PolarHBondContact O-N 3.48Å; S478-T481 VanDerWaalsContact O-N 3.08Å; S478-T481 PolarHBondContact O-OG1 3.41Å; S478-T481 PolarHBondContact OG-N 3.14Å; S478-T481 VanDerWaalsContact OG-N 3.1Å; S478-T481 PolarHBondContact OG-OG1 2.85Å; W479-T481 PolarHBondContact O-N 2.94Å; T481-A484 PolarHBondContact O-N 3.3Å; T481-I485 WeakPolarHBondContact O-CD1 3.23Å; T481-I485 VanDerWaalsContact O-CG1 3.25Å; T481-I485 WeakPolarHBondContact O-CG1 3.41Å; T481-I485 PolarHBondContact O-N 3.5Å; T481-H506 WeakPolarHBondContact CG2-O 3.33Å; T481-L507 HydrophobicContact CG2-CD1 3.99Å
482	A	78.1	Confident	76.8	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-45.3	169.1	0	0	0	0	0	111.8	L468 L471 T472 S478 W479 A484 I485 I486	L468-A482 HydrophobicContact CD1-CB 3.72Å; L471-A482 HydrophobicContact CB-CB 3.65Å; L471-A482 HydrophobicContact CD1-CB 4.49Å; T472-A482 HydrophobicContact CG2-CB 3.54Å; S478-A482 WeakPolarHBondContact O-CB 3.32Å; S478-A482 PolarHBondContact O-N 3.07Å; W479-A482 PolarHBondContact O-N 2.66Å; A482-A484 PolarHBondContact O-N 2.86Å; A482-I485 PolarHBondContact O-N 3.42Å; A482-I486 PolarHBondContact O-N 3.05Å
483	Q	80.8	Confident	77.3	Confident	61 Å²	61	60 Å²	60	29%	0.285	32%	0.32	S	S	.	.	H	α-helix	trans	-63.1	-41.4	175	-170.8	63.6	58.6	0	0	111.9	L468 W479 I485 I486 N487	L468-Q483 HydrophobicContact CD1-CB 4.1Å; W479-Q483 WeakPolarHBondContact O-CB 3.39Å; W479-Q483 PolarHBondContact O-N 2.76Å; Q483-I485 VanDerWaalsContact C-N 3.34Å; Q483-I485 PolarHBondContact O-N 3.35Å; Q483-I486 PolarHBondContact O-N 3.42Å; Q483-N487 PolarHBondContact NE2-OD1 3.33Å; Q483-N487 PolarHBondContact O-N 3.36Å; Q483-N487 PolarHBondContact O-OD1 3.33Å; Q483-N487 VanDerWaalsContact O-OD1 3.08Å
484	A	81	Confident	78	Confident	26 Å²	26	58.3 Å²	58.3	22%	0.215	31%	0.312	C	S	.	.	H	α-helix	trans	-62.6	-38.3	174.8	0	0	0	0	0	112.6	K480 T481 A482 N487 M488 L507	K480-A484 WeakPolarHBondContact O-CB 3.44Å; K480-A484 PolarHBondContact O-N 2.9Å; K480-A484 VanDerWaalsContact O-N 3.08Å; T481-A484 PolarHBondContact O-N 3.3Å; A482-A484 PolarHBondContact O-N 2.86Å; A484-N487 PolarHBondContact O-N 2.86Å; A484-M488 WeakPolarHBondContact O-CG 3.39Å; A484-M488 PolarHBondContact O-N 3.42Å; A484-L507 HydrophobicContact CB-CD1 3.97Å
485	I	81.1	Confident	78.2	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-62.8	-43.8	174.4	-70.4	159.2	0	0	0	111.2	F463 L471 T481 A482 Q483 N487 M488 F491 M501 L507 L511	F463-I485 HydrophobicContact CD1-CG2 3.79Å; F463-I485 HydrophobicContact CE1-CD1 4.08Å; F463-I485 HydrophobicContact CE1-CG2 4.21Å; L471-I485 HydrophobicContact CD1-CB 4Å; L471-I485 HydrophobicContact CD1-CG2 3.66Å; L471-I485 HydrophobicContact CD2-CG2 3.98Å; L471-I485 HydrophobicContact CG-CG2 4.49Å; T481-I485 WeakPolarHBondContact O-CD1 3.23Å; T481-I485 VanDerWaalsContact O-CG1 3.25Å; T481-I485 WeakPolarHBondContact O-CG1 3.41Å; T481-I485 PolarHBondContact O-N 3.5Å; A482-I485 PolarHBondContact O-N 3.42Å; Q483-I485 VanDerWaalsContact C-N 3.34Å; Q483-I485 PolarHBondContact O-N 3.35Å; I485-N487 VanDerWaalsContact C-N 3.35Å; I485-N487 PolarHBondContact O-N 2.99Å; I485-M488 HydrophobicContact CG1-CE 4.47Å; I485-M488 PolarHBondContact O-N 2.87Å; I485-F491 HydrophobicContact CG2-CE2 4.25Å; I485-F491 HydrophobicContact CG2-CZ 4.3Å; I485-M501 HydrophobicContact CD1-CE 4.47Å; I485-L507 HydrophobicContact CG1-CD2 3.94Å; I485-L511 HydrophobicContact CD1-CD1 4.45Å
486	I	82	Confident	78.9	Confident	47 Å²	47	59.8 Å²	59.8	24%	0.241	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-43.2	176.4	-72.6	-178.8	0	0	0	111.3	L468 L471 A482 Q483 M488 R489	L468-I486 HydrophobicContact CB-CD1 3.67Å; L468-I486 HydrophobicContact CD1-CD1 3.92Å; L468-I486 HydrophobicContact CG-CD1 4.4Å; L471-I486 HydrophobicContact CD1-CD1 4.16Å; L471-I486 HydrophobicContact CD1-CG1 3.67Å; A482-I486 PolarHBondContact O-N 3.05Å; Q483-I486 PolarHBondContact O-N 3.42Å; I486-M488 PolarHBondContact O-N 3.27Å; I486-M488 VanDerWaalsContact O-N 3.13Å; I486-R489 WeakPolarHBondContact O-CB 3.27Å; I486-R489 PolarHBondContact O-N 2.94Å; I486-R489 VanDerWaalsContact O-N 3.17Å
487	N	83.2	Confident	79.5	Confident	117 Å²	117	56.7 Å²	56.7	63%	0.626	28%	0.279	S	S	*	.	H	α-helix	trans	-66.5	-11.9	-179.8	-65.8	6.8	0	0	0	113.8	Q483 A484 I485	Q483-N487 PolarHBondContact NE2-OD1 3.33Å; Q483-N487 PolarHBondContact O-N 3.36Å; Q483-N487 PolarHBondContact O-OD1 3.33Å; Q483-N487 VanDerWaalsContact O-OD1 3.08Å; A484-N487 PolarHBondContact O-N 2.86Å; I485-N487 VanDerWaalsContact C-N 3.35Å; I485-N487 PolarHBondContact O-N 2.99Å
488	M	80.4	Confident	79.7	Confident	32 Å²	32	58.5 Å²	58.5	16%	0.158	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	0.5	177.3	-71.4	-171.7	-64.1	0	0	113.9	A484 I485 I486 F491 Q500 V504 L507	A484-M488 WeakPolarHBondContact O-CG 3.39Å; A484-M488 PolarHBondContact O-N 3.42Å; I485-M488 HydrophobicContact CG1-CE 4.47Å; I485-M488 PolarHBondContact O-N 2.87Å; I486-M488 PolarHBondContact O-N 3.27Å; I486-M488 VanDerWaalsContact O-N 3.13Å; M488-F491 HydrophobicContact CB-CE1 3.72Å; M488-F491 HydrophobicContact CB-CZ 3.77Å; M488-Q500 PolarHBondContact O-OE1 3.18Å; M488-Q500 HydrophobicContact SD-CB 3.99Å; M488-V504 HydrophobicContact CE-CG2 4.47Å; M488-V504 HydrophobicContact SD-CG2 3.82Å; M488-L507 HydrophobicContact CE-CD2 3.5Å
489	R	82.6	Confident	79.6	Confident	66 Å²	66	63 Å²	63	25%	0.249	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-73.3	150.7	-179.8	-70.3	175.5	174.2	175.1	-2.7	112.5	F463 N464 A466 I486 F491	F463-R489 PolarHBondContact O-NE 3.38Å; F463-R489 PolarHBondContact O-NH2 2.9Å; N464-R489 WeakPolarHBondContact O-CD 3.39Å; N464-R489 PolarHBondContact O-NE 3.35Å; N464-R489 VanDerWaalsContact O-NE 3.16Å; N464-R489 PolarHBondContact O-NH1 2.87Å; N464-R489 VanDerWaalsContact O-NH1 3.16Å; A466-R489 PolarHBondContact O-NH1 2.88Å; A466-R489 PolarHBondContact O-NH2 2.71Å; I486-R489 WeakPolarHBondContact O-CB 3.27Å; I486-R489 PolarHBondContact O-N 2.94Å; I486-R489 VanDerWaalsContact O-N 3.17Å; R489-F491 HydrophobicContact CG-CD2 4.38Å; R489-F491 HydrophobicContact CG-CE2 3.91Å
490	P	81.4	Confident	79.9	Confident	103 Å²	103	58.2 Å²	58.2	67%	0.669	28%	0.284	S	S	*	.	P	Polyproline II helix	cis	-92.6	141.4	-1	34.7	-32.9	0	0	0	113.4	N464	N464-P490 WeakPolarHBondContact OD1-CA 3.39Å
491	F	83.2	Confident	79.7	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.026	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-80.4	133.4	171.7	-51	-74	0	0	0	110.5	L460 F463 N464 I485 M488 R489 L497 Q500	L460-F491 HydrophobicContact CD1-CB 3.85Å; F463-F491 HydrophobicContact CB-CD2 4.03Å; F463-F491 HydrophobicContact CB-CE2 4.12Å; N464-F491 PolarHBondContact ND2-O 2.93Å; N464-F491 WeakPolarHBondContact OD1-CD2 3.48Å; N464-F491 PolarHBondContact OD1-N 2.8Å; I485-F491 HydrophobicContact CG2-CE2 4.25Å; I485-F491 HydrophobicContact CG2-CZ 4.3Å; M488-F491 HydrophobicContact CB-CE1 3.72Å; M488-F491 HydrophobicContact CB-CZ 3.77Å; R489-F491 HydrophobicContact CG-CD2 4.38Å; R489-F491 HydrophobicContact CG-CE2 3.91Å; F491-L497 HydrophobicContact CB-CB 4.27Å; F491-L497 HydrophobicContact CD1-CB 4.29Å; F491-L497 HydrophobicContact CD1-CD1 3.77Å; F491-L497 HydrophobicContact CD2-CD1 3.79Å; F491-L497 HydrophobicContact CE1-CD1 3.82Å; F491-L497 HydrophobicContact CE2-CD1 3.85Å; F491-L497 HydrophobicContact CG-CB 4.28Å; F491-L497 HydrophobicContact CG-CD1 3.75Å; F491-L497 HydrophobicContact CZ-CD1 3.86Å; F491-Q500 HydrophobicContact CE1-CB 4.25Å
492	K	79.3	Confident	79.3	Confident	174 Å²	174	54.5 Å²	54.5	76%	0.757	28%	0.278	S	S	*	.			trans	-86.3	-43.1	-172.6	-63.7	168.6	-174.7	166.6	0	114.1	D496	K492-D496 HydrophobicContact CB-CB 4.28Å; K492-D496 WeakPolarHBondContact CB-OD2 3.41Å; K492-D496 WeakPolarHBondContact CG-OD2 3.43Å; K492-D496 PolarHBondContact N-OD2 2.94Å
493	N	81.2	Confident	78.8	Confident	44 Å²	44	57.6 Å²	57.6	24%	0.235	31%	0.31	C	S	.	.	S	Bend	trans	-149.1	177.4	175.5	70	-14.9	0	0	0	110.2	E445 K495 D496 L497	E445-N493 PolarHBondContact OE1-ND2 2.82Å; E445-N493 PolarHBondContact OE2-ND2 3.01Å; N493-K495 PolarHBondContact O-N 3.18Å; N493-K495 PolarHBondContact OD1-N 2.96Å; N493-D496 PolarHBondContact O-N 2.7Å; N493-D496 VanDerWaalsContact OD1-CB 3.3Å; N493-D496 WeakPolarHBondContact OD1-CB 3.04Å; N493-D496 PolarHBondContact OD1-N 2.78Å; N493-L497 PolarHBondContact O-N 2.83Å; N493-L497 VanDerWaalsContact O-N 3.1Å
494	T	75.7	Confident	78.5	Confident	7 Å²	7	57.2 Å²	57.2	4%	0.043	31%	0.312	C	S	.	.	H	α-helix	trans	-57.8	-37.5	179.5	-39.8	0	0	0	0	112	L449 L459 L497 I498	L449-T494 HydrophobicContact CD1-CG2 4.2Å; L459-T494 HydrophobicContact CD2-CG2 4.38Å; T494-L497 PolarHBondContact O-N 3.23Å; T494-I498 HydrophobicContact CG2-CD1 4.08Å; T494-I498 WeakPolarHBondContact O-CD1 3.26Å; T494-I498 VanDerWaalsContact O-CG1 3.25Å; T494-I498 WeakPolarHBondContact O-CG1 3.45Å; T494-I498 PolarHBondContact O-N 2.73Å
495	K	76.6	Confident	77.4	Confident	80 Å²	80	67.4 Å²	67.4	35%	0.348	35%	0.345	S	S	.	.	H	α-helix	trans	-63.5	-46.2	177.2	-61	-164.7	170.4	-166.1	0	112.6	D446 D447 N493 L497 I498 F499	D446-K495 WeakPolarHBondContact O-CE 3.42Å; D446-K495 PolarHBondContact O-NZ 2.73Å; D447-K495 WeakPolarHBondContact OD1-CE 3.49Å; D447-K495 WeakPolarHBondContact OD1-CG 3.34Å; N493-K495 PolarHBondContact O-N 3.18Å; N493-K495 PolarHBondContact OD1-N 2.96Å; K495-L497 VanDerWaalsContact C-N 3.33Å; K495-L497 PolarHBondContact O-N 3.31Å; K495-I498 PolarHBondContact O-N 2.79Å; K495-F499 WeakPolarHBondContact O-CB 3.05Å; K495-F499 PolarHBondContact O-N 3.11Å
496	D	82	Confident	76.5	Confident	28 Å²	28	75.1 Å²	75.1	15%	0.15	38%	0.38	C	S	.	.	H	α-helix	trans	-60.9	-42.1	177.3	-174.7	36.3	0	0	0	111.4	K492 N493 F499 Q500	K492-D496 HydrophobicContact CB-CB 4.28Å; K492-D496 WeakPolarHBondContact CB-OD2 3.41Å; K492-D496 WeakPolarHBondContact CG-OD2 3.43Å; K492-D496 PolarHBondContact N-OD2 2.94Å; N493-D496 PolarHBondContact O-N 2.7Å; N493-D496 VanDerWaalsContact OD1-CB 3.3Å; N493-D496 WeakPolarHBondContact OD1-CB 3.04Å; N493-D496 PolarHBondContact OD1-N 2.78Å; D496-F499 PolarHBondContact O-N 2.82Å; D496-Q500 VanDerWaalsContact CG-NE2 3.32Å; D496-Q500 WeakPolarHBondContact O-CB 3.12Å; D496-Q500 VanDerWaalsContact O-CG 3.32Å; D496-Q500 WeakPolarHBondContact O-CG 3.41Å; D496-Q500 PolarHBondContact O-N 3.06Å; D496-Q500 PolarHBondContact OD1-NE2 3.14Å; D496-Q500 PolarHBondContact OD2-NE2 3.02Å
497	L	79.8	Confident	75.8	Confident	3 Å²	3	73.9 Å²	73.9	2%	0.016	37%	0.374	C	S	.	.	H	α-helix	trans	-59.1	-53.1	172.1	178.2	65.1	0	0	0	112	L459 F463 F491 N493 T494 K495 F499 M501	L459-L497 HydrophobicContact CD2-CD2 4.19Å; L459-L497 HydrophobicContact CG-CD2 4.18Å; F463-L497 HydrophobicContact CB-CD1 3.91Å; F463-L497 HydrophobicContact CB-CD2 4.07Å; F463-L497 HydrophobicContact CD1-CD1 3.73Å; F463-L497 HydrophobicContact CD1-CD2 4.48Å; F463-L497 HydrophobicContact CD2-CD1 4.45Å; F463-L497 HydrophobicContact CD2-CD2 3.74Å; F463-L497 HydrophobicContact CE1-CD1 4.36Å; F463-L497 HydrophobicContact CE2-CD2 4.3Å; F463-L497 HydrophobicContact CG-CD1 3.77Å; F463-L497 HydrophobicContact CG-CD2 3.83Å; F463-L497 HydrophobicContact CG-CG 4.47Å; F491-L497 HydrophobicContact CB-CB 4.27Å; F491-L497 HydrophobicContact CD1-CB 4.29Å; F491-L497 HydrophobicContact CD1-CD1 3.77Å; F491-L497 HydrophobicContact CD2-CD1 3.79Å; F491-L497 HydrophobicContact CE1-CD1 3.82Å; F491-L497 HydrophobicContact CE2-CD1 3.85Å; F491-L497 HydrophobicContact CG-CB 4.28Å; F491-L497 HydrophobicContact CG-CD1 3.75Å; F491-L497 HydrophobicContact CZ-CD1 3.86Å; N493-L497 PolarHBondContact O-N 2.83Å; N493-L497 VanDerWaalsContact O-N 3.1Å; T494-L497 PolarHBondContact O-N 3.23Å; K495-L497 VanDerWaalsContact C-N 3.33Å; K495-L497 PolarHBondContact O-N 3.31Å; L497-F499 VanDerWaalsContact C-N 3.34Å; L497-F499 PolarHBondContact O-N 3.13Å; L497-M501 HydrophobicContact CD1-CG 4.08Å; L497-M501 HydrophobicContact CD1-SD 3.62Å; L497-M501 HydrophobicContact CG-SD 3.94Å; L497-M501 WeakPolarHBondContact O-CB 3.27Å; L497-M501 WeakPolarHBondContact O-CG 3.3Å; L497-M501 PolarHBondContact O-N 2.91Å
498	I	77.5	Confident	74.9	Confident	50 Å²	50	70.8 Å²	70.8	26%	0.256	36%	0.362	S	S	.	.	H	α-helix	trans	-59.1	-46.3	178.8	-63.6	159.1	0	0	0	110.7	D447 L449 T494 K495 M501 S502	D447-I498 HydrophobicContact CB-CD1 4.15Å; L449-I498 HydrophobicContact CD1-CD1 3.63Å; L449-I498 HydrophobicContact CD1-CG1 4.15Å; L449-I498 HydrophobicContact CG-CD1 3.85Å; T494-I498 HydrophobicContact CG2-CD1 4.08Å; T494-I498 WeakPolarHBondContact O-CD1 3.26Å; T494-I498 VanDerWaalsContact O-CG1 3.25Å; T494-I498 WeakPolarHBondContact O-CG1 3.45Å; T494-I498 PolarHBondContact O-N 2.73Å; K495-I498 PolarHBondContact O-N 2.79Å; I498-M501 PolarHBondContact O-N 3.06Å; I498-S502 WeakPolarHBondContact O-CB 3.28Å; I498-S502 PolarHBondContact O-N 2.88Å; I498-S502 PolarHBondContact O-OG 3.16Å
499	F	77.5	Confident	74.1	Confident	151 Å²	151	72.8 Å²	72.8	66%	0.662	38%	0.379	S	S	*	.	H	α-helix	trans	-61.1	-52.3	-177.6	-178.4	-101.6	0	0	0	111.4	K495 D496 L497 M501 S502 G503	K495-F499 WeakPolarHBondContact O-CB 3.05Å; K495-F499 PolarHBondContact O-N 3.11Å; D496-F499 PolarHBondContact O-N 2.82Å; L497-F499 VanDerWaalsContact C-N 3.34Å; L497-F499 PolarHBondContact O-N 3.13Å; F499-M501 PolarHBondContact O-N 3.09Å; F499-S502 PolarHBondContact O-N 3.23Å; F499-S502 PolarHBondContact O-OG 3.22Å; F499-G503 PolarHBondContact O-N 3.32Å; F499-G503 VanDerWaalsContact O-N 3.13Å
500	Q	77.4	Confident	73.3	Confident	51 Å²	51	73.7 Å²	73.7	24%	0.238	39%	0.389	C	S	.	.	H	α-helix	trans	-63.3	-42.1	178.4	-68.9	-170.8	51.1	0	0	112	M488 F491 D496 S502 G503	M488-Q500 PolarHBondContact O-OE1 3.18Å; M488-Q500 HydrophobicContact SD-CB 3.99Å; F491-Q500 HydrophobicContact CE1-CB 4.25Å; D496-Q500 VanDerWaalsContact CG-NE2 3.32Å; D496-Q500 WeakPolarHBondContact O-CB 3.12Å; D496-Q500 VanDerWaalsContact O-CG 3.32Å; D496-Q500 WeakPolarHBondContact O-CG 3.41Å; D496-Q500 PolarHBondContact O-N 3.06Å; D496-Q500 PolarHBondContact OD1-NE2 3.14Å; D496-Q500 PolarHBondContact OD2-NE2 3.02Å; Q500-S502 VanDerWaalsContact C-N 3.31Å; Q500-S502 PolarHBondContact O-N 2.94Å; Q500-G503 PolarHBondContact O-N 3.06Å
501	M	73.5	Confident	72.8	Confident	6 Å²	6	68.9 Å²	68.9	3%	0.03	36%	0.358	C	S	.	.	H	α-helix	trans	-64.2	-34.9	175.7	-67.1	-176.5	78.6	0	0	112.6	F463 I485 L497 I498 F499 G503 L507 L511	F463-M501 HydrophobicContact CD1-SD 4.48Å; F463-M501 HydrophobicContact CE1-CE 3.88Å; F463-M501 HydrophobicContact CE1-SD 3.91Å; F463-M501 HydrophobicContact CZ-CE 4.16Å; F463-M501 HydrophobicContact CZ-SD 4.25Å; I485-M501 HydrophobicContact CD1-CE 4.47Å; L497-M501 HydrophobicContact CD1-CG 4.08Å; L497-M501 HydrophobicContact CD1-SD 3.62Å; L497-M501 HydrophobicContact CG-SD 3.94Å; L497-M501 WeakPolarHBondContact O-CB 3.27Å; L497-M501 WeakPolarHBondContact O-CG 3.3Å; L497-M501 PolarHBondContact O-N 2.91Å; I498-M501 PolarHBondContact O-N 3.06Å; F499-M501 PolarHBondContact O-N 3.09Å; M501-G503 VanDerWaalsContact C-N 3.33Å; M501-L507 HydrophobicContact CB-CD2 4.03Å; M501-L507 HydrophobicContact CE-CD2 4.02Å; M501-L507 HydrophobicContact CG-CD2 3.83Å; M501-L511 HydrophobicContact CE-CB 3.58Å; M501-L511 HydrophobicContact CE-CD1 3.69Å; M501-L511 HydrophobicContact CE-CG 4.28Å
502	S	71.3	Confident	72.3	Confident	91 Å²	91	71.7 Å²	71.7	64%	0.636	37%	0.368	S	S	*	.	H	α-helix	trans	-72.9	-22.6	177.3	75.1	0	0	0	0	114	I498 F499 Q500	I498-S502 WeakPolarHBondContact O-CB 3.28Å; I498-S502 PolarHBondContact O-N 2.88Å; I498-S502 PolarHBondContact O-OG 3.16Å; F499-S502 PolarHBondContact O-N 3.23Å; F499-S502 PolarHBondContact O-OG 3.22Å; Q500-S502 VanDerWaalsContact C-N 3.31Å; Q500-S502 PolarHBondContact O-N 2.94Å
503	G	68.3	Low	71.8	Confident	65 Å²	65	69 Å²	69	67%	0.67	36%	0.358	S	S	*	.	H	α-helix	trans	-77.1	-16.2	-179.9	0	0	0	0	0	115.2	F499 Q500 M501	F499-G503 PolarHBondContact O-N 3.32Å; F499-G503 VanDerWaalsContact O-N 3.13Å; Q500-G503 PolarHBondContact O-N 3.06Å; M501-G503 VanDerWaalsContact C-N 3.33Å
504	V	72.6	Confident	71.1	Confident	53 Å²	53	68.8 Å²	68.8	32%	0.321	36%	0.36	S	S	.	.	S	Bend	trans	-103.6	116.3	-172.6	-177.2	0	0	0	0	111.1	M488 H506 L507	M488-V504 HydrophobicContact CE-CG2 4.47Å; M488-V504 HydrophobicContact SD-CG2 3.82Å; V504-H506 PolarHBondContact O-N 3.11Å; V504-L507 HydrophobicContact CB-CD1 4.17Å; V504-L507 HydrophobicContact CG1-CD1 3.87Å; V504-L507 PolarHBondContact O-N 3.33Å
505	R	59.1	Low	71	Confident	241 Å²	241	68.4 Å²	68.4	91%	0.909	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-2.4	-175.1	-74.8	-173.9	172.1	-172.6	-2.3	117.6
506	H	62.1	Low	70.6	Confident	162 Å²	162	69 Å²	69	75%	0.75	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.9	4.6	-178.9	-58.4	-44.4	0	0	0	114	T481 V504	T481-H506 WeakPolarHBondContact CG2-O 3.33Å; V504-H506 PolarHBondContact O-N 3.11Å
507	L	66.7	Low	69.8	Low	21 Å²	21	71.2 Å²	71.2	11%	0.11	37%	0.372	C	S	.	.			trans	-96	137.7	168	-90.7	68.2	0	0	0	109.3	T481 A484 I485 M488 M501 V504 L511	T481-L507 HydrophobicContact CG2-CD1 3.99Å; A484-L507 HydrophobicContact CB-CD1 3.97Å; I485-L507 HydrophobicContact CG1-CD2 3.94Å; M488-L507 HydrophobicContact CE-CD2 3.5Å; M501-L507 HydrophobicContact CB-CD2 4.03Å; M501-L507 HydrophobicContact CE-CD2 4.02Å; M501-L507 HydrophobicContact CG-CD2 3.83Å; V504-L507 HydrophobicContact CB-CD1 4.17Å; V504-L507 HydrophobicContact CG1-CD1 3.87Å; V504-L507 PolarHBondContact O-N 3.33Å; L507-L511 HydrophobicContact CG-CD1 4.33Å
508	S	64.9	Low	69.2	Low	53 Å²	53	72 Å²	72	37%	0.371	38%	0.376	S	S	.	.			trans	-92.4	139.4	169.1	53.4	0	0	0	0	110.3	N510 L511	S508-N510 PolarHBondContact O-N 3.38Å; S508-L511 WeakPolarHBondContact O-CG 3.49Å; S508-L511 PolarHBondContact O-N 3.49Å
509	S	63.2	Low	68.9	Low	73 Å²	73	70.7 Å²	70.7	51%	0.51	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-40.8	170.9	40.8	0	0	0	0	111.9	L511 Y512	S509-L511 PolarHBondContact O-N 3.4Å; S509-Y512 WeakPolarHBondContact O-CD1 3.36Å; S509-Y512 WeakPolarHBondContact O-CE1 3.5Å; S509-Y512 PolarHBondContact O-N 3Å
510	N	66.8	Low	68.3	Low	85 Å²	85	69.2 Å²	69.2	46%	0.455	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-5.8	-171.2	-52.2	26.2	0	0	0	113.7	S508 Y512 E513 C514	S508-N510 PolarHBondContact O-N 3.38Å; N510-Y512 VanDerWaalsContact C-N 3.29Å; N510-Y512 PolarHBondContact O-N 2.85Å; N510-E513 WeakPolarHBondContact O-CB 3.42Å; N510-E513 PolarHBondContact O-N 3.1Å; N510-E513 VanDerWaalsContact O-N 3.08Å; N510-C514 PolarHBondContact O-N 3.05Å; N510-C514 PolarHBondContact O-SG 3.21Å
511	L	71.2	Confident	67.6	Low	3 Å²	3	67.6 Å²	67.6	2%	0.016	36%	0.358	C	S	.	.	H	α-helix	trans	-59.2	-34	174.4	-77.7	168.6	0	0	0	113.2	V474 C477 I485 M501 L507 S508 S509 E513 C515	V474-L511 HydrophobicContact CG1-CD2 4.01Å; C477-L511 HydrophobicContact CB-CD2 3.78Å; I485-L511 HydrophobicContact CD1-CD1 4.45Å; M501-L511 HydrophobicContact CE-CB 3.58Å; M501-L511 HydrophobicContact CE-CD1 3.69Å; M501-L511 HydrophobicContact CE-CG 4.28Å; L507-L511 HydrophobicContact CG-CD1 4.33Å; S508-L511 WeakPolarHBondContact O-CG 3.49Å; S508-L511 PolarHBondContact O-N 3.49Å; S509-L511 PolarHBondContact O-N 3.4Å; L511-E513 VanDerWaalsContact C-N 3.29Å; L511-E513 PolarHBondContact O-N 3.03Å; L511-C515 PolarHBondContact O-N 3.12Å; L511-C515 PolarHBondContact O-SG 3.19Å
512	Y	71.3	Confident	67.2	Low	65 Å²	65	69 Å²	69	26%	0.255	36%	0.363	S	S	.	.	H	α-helix	trans	-66.9	-33.9	174.6	69.5	-105.6	0	0	0	111.8	L449 S509 N510 C515 K516	L449-Y512 HydrophobicContact CD1-CD1 4.36Å; L449-Y512 HydrophobicContact CD1-CD2 4.01Å; L449-Y512 HydrophobicContact CD1-CE1 4.44Å; L449-Y512 HydrophobicContact CD1-CE2 4.12Å; L449-Y512 HydrophobicContact CD1-CG 4.2Å; L449-Y512 HydrophobicContact CD2-CD2 4.34Å; L449-Y512 HydrophobicContact CD2-CE1 3.93Å; L449-Y512 HydrophobicContact CD2-CE2 3.61Å; L449-Y512 WeakPolarHBondContact CD2-OH 3.45Å; S509-Y512 WeakPolarHBondContact O-CD1 3.36Å; S509-Y512 WeakPolarHBondContact O-CE1 3.5Å; S509-Y512 PolarHBondContact O-N 3Å; N510-Y512 VanDerWaalsContact C-N 3.29Å; N510-Y512 PolarHBondContact O-N 2.85Å; Y512-C515 WeakPolarHBondContact O-CB 3.44Å; Y512-C515 PolarHBondContact O-N 2.82Å; Y512-K516 PolarHBondContact O-N 2.87Å
513	E	68.6	Low	67	Low	117 Å²	117	66.7 Å²	66.7	55%	0.547	35%	0.345	S	S	.	.	H	α-helix	trans	-71.5	-43.5	179.5	-166.9	172.1	-141.9	0	0	109.9	N510 L511 C515 K516	N510-E513 WeakPolarHBondContact O-CB 3.42Å; N510-E513 PolarHBondContact O-N 3.1Å; N510-E513 VanDerWaalsContact O-N 3.08Å; L511-E513 VanDerWaalsContact C-N 3.29Å; L511-E513 PolarHBondContact O-N 3.03Å; E513-C515 PolarHBondContact O-N 3.03Å; E513-K516 VanDerWaalsContact O-CB 3.25Å; E513-K516 WeakPolarHBondContact O-CB 3.34Å; E513-K516 PolarHBondContact O-N 2.88Å
514	C	67.8	Low	66.8	Low	39 Å²	39	64.3 Å²	64.3	26%	0.264	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-21.1	170.2	-62.8	0	0	0	0	113.8	V474 P475 N510	V474-C514 HydrophobicContact CG1-CB 3.82Å; P475-C514 HydrophobicContact CB-CB 4.08Å; P475-C514 HydrophobicContact CG-CB 4.37Å; P475-C514 WeakPolarHBondContact O-CB 3.38Å; N510-C514 PolarHBondContact O-N 3.05Å; N510-C514 PolarHBondContact O-SG 3.21Å
515	C	72.3	Confident	66.3	Low	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-77.4	-23.4	170.3	-69.7	0	0	0	0	113.2	L459 F463 V474 L511 Y512 E513 D517 I518 L519	L459-C515 HydrophobicContact CD1-CB 3.92Å; F463-C515 HydrophobicContact CE2-CB 4.07Å; F463-C515 WeakPolarHBondContact CE2-SG 3.49Å; F463-C515 VanDerWaalsContact CZ-SG 3.51Å; V474-C515 VanDerWaalsContact CG1-SG 3.57Å; L511-C515 PolarHBondContact O-N 3.12Å; L511-C515 PolarHBondContact O-SG 3.19Å; Y512-C515 WeakPolarHBondContact O-CB 3.44Å; Y512-C515 PolarHBondContact O-N 2.82Å; E513-C515 PolarHBondContact O-N 3.03Å; C515-D517 VanDerWaalsContact C-N 3.3Å; C515-D517 PolarHBondContact O-N 2.9Å; C515-I518 PolarHBondContact O-N 2.83Å; C515-L519 WeakPolarHBondContact O-CG 3.22Å; C515-L519 PolarHBondContact O-N 3.16Å
516	K	69.3	Low	66.6	Low	91 Å²	91	53.8 Å²	53.8	40%	0.396	28%	0.278	S	S	.	.	H	α-helix	trans	-60.2	-41.9	178.4	-167.8	166.1	-174.3	149.7	0	111.4	E455 Y512 E513 I518 L519 E520	E455-K516 WeakPolarHBondContact OE1-CE 3.37Å; E455-K516 IonicContact OE1-NZ 3.88Å; E455-K516 PolarHBondContact OE1-NZ 3.16Å; Y512-K516 PolarHBondContact O-N 2.87Å; E513-K516 VanDerWaalsContact O-CB 3.25Å; E513-K516 WeakPolarHBondContact O-CB 3.34Å; E513-K516 PolarHBondContact O-N 2.88Å; K516-I518 VanDerWaalsContact C-N 3.34Å; K516-I518 PolarHBondContact O-N 3.36Å; K516-L519 PolarHBondContact O-N 2.88Å; K516-E520 PolarHBondContact O-N 3.28Å
517	D	65.1	Low	67	Low	75 Å²	75	53.4 Å²	53.4	40%	0.401	27%	0.27	S	S	.	.	H	α-helix	trans	-49.5	-52.4	168.8	-105.6	49.8	0	0	0	111.3	C515 L519 E520 V521 R793	C515-D517 VanDerWaalsContact C-N 3.3Å; C515-D517 PolarHBondContact O-N 2.9Å; D517-L519 PolarHBondContact O-N 2.88Å; D517-E520 PolarHBondContact O-N 2.93Å; D517-V521 WeakPolarHBondContact O-CB 3.3Å; D517-V521 WeakPolarHBondContact O-CG2 3.49Å; D517-V521 PolarHBondContact O-N 3.06Å; D517-R793 IonicContact OD2-CZ 3.28Å; D517-R793 IonicContact OD2-NH1 3.14Å; D517-R793 PolarHBondContact OD2-NH1 3.12Å
518	I	66.2	Low	67	Low	21 Å²	21	53 Å²	53	11%	0.108	27%	0.268	C	S	.	.	H	α-helix	trans	-68.4	-35	-176.4	-72.1	166	0	0	0	111.9	F462 V474 C515 K516 V521 R522	F462-I518 HydrophobicContact CE2-CG2 4.14Å; F462-I518 HydrophobicContact CZ-CG2 4.33Å; V474-I518 HydrophobicContact CB-CD1 4.19Å; V474-I518 HydrophobicContact CG2-CD1 3.79Å; C515-I518 PolarHBondContact O-N 2.83Å; K516-I518 VanDerWaalsContact C-N 3.34Å; K516-I518 PolarHBondContact O-N 3.36Å; I518-V521 PolarHBondContact O-N 3Å; I518-R522 WeakPolarHBondContact O-CB 3.37Å; I518-R522 WeakPolarHBondContact O-CG 3.31Å; I518-R522 PolarHBondContact O-N 3.46Å
519	L	70.8	Confident	67.1	Low	21 Å²	21	51.5 Å²	51.5	11%	0.11	26%	0.256	C	S	.	.	H	α-helix	trans	-72.5	-41.6	176.9	-66.8	179.4	0	0	0	112.5	H458 L459 F462 C515 K516 D517 V521 R522 T523	H458-L519 HydrophobicContact CB-CD1 4.24Å; H458-L519 HydrophobicContact CB-CD2 4.17Å; L459-L519 HydrophobicContact CB-CD1 4.11Å; L459-L519 HydrophobicContact CD1-CD1 4.08Å; F462-L519 HydrophobicContact CB-CD2 4.09Å; F462-L519 HydrophobicContact CG-CD2 4.47Å; C515-L519 WeakPolarHBondContact O-CG 3.22Å; C515-L519 PolarHBondContact O-N 3.16Å; K516-L519 PolarHBondContact O-N 2.88Å; D517-L519 PolarHBondContact O-N 2.88Å; L519-V521 VanDerWaalsContact C-N 3.28Å; L519-V521 PolarHBondContact O-N 3.01Å; L519-R522 PolarHBondContact O-N 2.98Å; L519-T523 VanDerWaalsContact O-CB 3.29Å; L519-T523 WeakPolarHBondContact O-CB 3.43Å; L519-T523 PolarHBondContact O-N 3.13Å; L519-T523 PolarHBondContact O-OG1 2.96Å
520	E	66.7	Low	67.4	Low	121 Å²	121	50.8 Å²	50.8	57%	0.565	25%	0.246	S	C	*	.	H	α-helix	trans	-62.5	-40.3	171.8	-176.9	177.2	-163.5	0	0	110.9	K516 D517 T523 S524	K516-E520 PolarHBondContact O-N 3.28Å; D517-E520 PolarHBondContact O-N 2.93Å; E520-T523 PolarHBondContact O-N 3.16Å; E520-S524 VanDerWaalsContact O-CB 3.25Å; E520-S524 WeakPolarHBondContact O-CB 3.32Å; E520-S524 PolarHBondContact O-N 2.61Å; E520-S524 PolarHBondContact O-OG 2.84Å
521	V	61.8	Low	67.7	Low	16 Å²	16	51.8 Å²	51.8	10%	0.097	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-48.6	176.1	162.8	0	0	0	0	111.5	D517 I518 L519 V525 L790 I794	D517-V521 WeakPolarHBondContact O-CB 3.3Å; D517-V521 WeakPolarHBondContact O-CG2 3.49Å; D517-V521 PolarHBondContact O-N 3.06Å; I518-V521 PolarHBondContact O-N 3Å; L519-V521 VanDerWaalsContact C-N 3.28Å; L519-V521 PolarHBondContact O-N 3.01Å; V521-V525 PolarHBondContact O-N 3.34Å; V521-L790 HydrophobicContact CB-CD1 4.48Å; V521-L790 HydrophobicContact CB-CG 4.25Å; V521-L790 HydrophobicContact CG1-CD2 4.48Å; V521-L790 HydrophobicContact CG1-CG 4.18Å; V521-L790 HydrophobicContact CG2-CD1 4.05Å; V521-L790 HydrophobicContact CG2-CG 3.96Å; V521-I794 HydrophobicContact CG1-CD1 3.36Å; V521-I794 HydrophobicContact CG1-CG1 3.37Å
522	R	64.8	Low	67.5	Low	36 Å²	36	52 Å²	52	14%	0.136	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-48.8	172.8	-78.7	-175.4	172.1	-167.8	-3.9	111.8	E470 I518 L519 S524 V525 I526 Y798 F820	E470-R522 IonicContact OE1-NH2 2.77Å; E470-R522 PolarHBondContact OE1-NH2 2.99Å; E470-R522 IonicContact OE2-CZ 3.85Å; E470-R522 IonicContact OE2-NH1 3.83Å; E470-R522 IonicContact OE2-NH2 2.69Å; E470-R522 PolarHBondContact OE2-NH2 2.92Å; I518-R522 WeakPolarHBondContact O-CB 3.37Å; I518-R522 WeakPolarHBondContact O-CG 3.31Å; I518-R522 PolarHBondContact O-N 3.46Å; L519-R522 PolarHBondContact O-N 2.98Å; R522-S524 VanDerWaalsContact C-N 3.34Å; R522-S524 PolarHBondContact O-N 2.97Å; R522-V525 PolarHBondContact O-N 3.29Å; R522-I526 WeakPolarHBondContact O-CG1 3.45Å; R522-I526 PolarHBondContact O-N 3.42Å; R522-Y798 PolarHBondContact NE-OH 3.05Å; R522-Y798 PolarHBondContact NH2-OH 2.7Å; R522-Y798 VanDerWaalsContact NH2-OH 3.14Å; R522-F820 HydrophobicContact CG-CZ 4.24Å
523	T	67.1	Low	67.4	Low	43 Å²	43	52.8 Å²	52.8	26%	0.264	25%	0.254	S	S	.	.	H	α-helix	trans	-61.6	-41.8	-177.5	-54.6	0	0	0	0	111.8	L519 E520 V525 I526 R527	L519-T523 VanDerWaalsContact O-CB 3.29Å; L519-T523 WeakPolarHBondContact O-CB 3.43Å; L519-T523 PolarHBondContact O-N 3.13Å; L519-T523 PolarHBondContact O-OG1 2.96Å; E520-T523 PolarHBondContact O-N 3.16Å; T523-V525 VanDerWaalsContact C-N 3.34Å; T523-V525 PolarHBondContact O-N 3.03Å; T523-I526 PolarHBondContact O-N 2.64Å; T523-R527 WeakPolarHBondContact O-CG 3.43Å; T523-R527 PolarHBondContact O-N 2.74Å
524	S	64.7	Low	67.7	Low	15 Å²	15	55.3 Å²	55.3	11%	0.105	26%	0.259	C	S	.	.	H	α-helix	trans	-66.1	-35.4	179	-63.7	0	0	0	0	112.6	E520 R522 R527 L528	E520-S524 VanDerWaalsContact O-CB 3.25Å; E520-S524 WeakPolarHBondContact O-CB 3.32Å; E520-S524 PolarHBondContact O-N 2.61Å; E520-S524 PolarHBondContact O-OG 2.84Å; R522-S524 VanDerWaalsContact C-N 3.34Å; R522-S524 PolarHBondContact O-N 2.97Å; S524-R527 PolarHBondContact OG-NH1 2.88Å; S524-L528 PolarHBondContact O-N 3.26Å
525	V	62.8	Low	68	Low	17 Å²	17	55.7 Å²	55.7	10%	0.103	26%	0.258	C	S	.	.	H	α-helix	trans	-66.5	-47.9	169.9	170.4	0	0	0	0	111	V521 R522 T523 R527 L528 L529 L790 L791 I794	V521-V525 PolarHBondContact O-N 3.34Å; R522-V525 PolarHBondContact O-N 3.29Å; T523-V525 VanDerWaalsContact C-N 3.34Å; T523-V525 PolarHBondContact O-N 3.03Å; V525-R527 VanDerWaalsContact C-N 3.29Å; V525-R527 PolarHBondContact O-N 2.91Å; V525-L528 CarbonylContact O-C 3.59Å; V525-L528 WeakPolarHBondContact O-CA 3.29Å; V525-L528 WeakPolarHBondContact O-CB 3.43Å; V525-L528 PolarHBondContact O-N 3.46Å; V525-L529 HydrophobicContact CG1-CD1 3.65Å; V525-L529 HydrophobicContact CG1-CD2 4.29Å; V525-L529 HydrophobicContact CG1-CG 3.75Å; V525-L529 VanDerWaalsContact O-CG 3.32Å; V525-L529 WeakPolarHBondContact O-CG 3.32Å; V525-L529 PolarHBondContact O-N 3.15Å; V525-L790 HydrophobicContact CG2-CD2 3.62Å; V525-L791 HydrophobicContact CG2-CD2 3.55Å; V525-L791 HydrophobicContact CG2-CG 4.24Å; V525-I794 HydrophobicContact CB-CD1 4.16Å; V525-I794 HydrophobicContact CG2-CD1 3.3Å
526	I	65.5	Low	67.8	Low	56 Å²	56	56.9 Å²	56.9	29%	0.287	27%	0.265	S	S	.	.	H	α-helix	trans	-55.7	-43.6	178	-65.8	165.5	0	0	0	111.2	R522 T523 L528 L529 N530	R522-I526 WeakPolarHBondContact O-CG1 3.45Å; R522-I526 PolarHBondContact O-N 3.42Å; T523-I526 PolarHBondContact O-N 2.64Å; I526-L528 VanDerWaalsContact C-N 3.31Å; I526-L528 PolarHBondContact O-N 2.92Å; I526-L529 PolarHBondContact O-N 2.89Å; I526-N530 WeakPolarHBondContact O-CB 3.39Å; I526-N530 PolarHBondContact O-N 3.43Å; I526-N530 PolarHBondContact O-OD1 3.02Å
527	R	70	Confident	67.9	Low	154 Å²	154	58.4 Å²	58.4	58%	0.581	27%	0.274	S	S	*	.	H	α-helix	trans	-58.4	-39.7	173.5	-66.8	177.2	-156	137.9	-0.7	113	T523 S524 V525 K531	T523-R527 WeakPolarHBondContact O-CG 3.43Å; T523-R527 PolarHBondContact O-N 2.74Å; S524-R527 PolarHBondContact OG-NH1 2.88Å; V525-R527 VanDerWaalsContact C-N 3.29Å; V525-R527 PolarHBondContact O-N 2.91Å; R527-K531 PolarHBondContact O-N 3.44Å
528	L	67	Low	68.2	Low	13 Å²	13	60.1 Å²	60.1	7%	0.068	28%	0.279	C	S	.	.	H	α-helix	trans	-72.1	-45.1	179.4	-173.8	154.8	0	0	0	111.2	S524 V525 I526 K531 C532 M783 F784 L791	S524-L528 PolarHBondContact O-N 3.26Å; V525-L528 CarbonylContact O-C 3.59Å; V525-L528 WeakPolarHBondContact O-CA 3.29Å; V525-L528 WeakPolarHBondContact O-CB 3.43Å; V525-L528 PolarHBondContact O-N 3.46Å; I526-L528 VanDerWaalsContact C-N 3.31Å; I526-L528 PolarHBondContact O-N 2.92Å; L528-K531 WeakPolarHBondContact O-CA 3.32Å; L528-K531 WeakPolarHBondContact O-CB 3.49Å; L528-K531 PolarHBondContact O-N 3.39Å; L528-C532 PolarHBondContact O-N 2.94Å; L528-C532 PolarHBondContact O-SG 3.2Å; L528-M783 VanDerWaalsContact CD1-O 3.32Å; L528-M783 WeakPolarHBondContact CD1-O 3.45Å; L528-F784 HydrophobicContact CD1-CD1 3.95Å; L528-F784 HydrophobicContact CD1-CE1 4.12Å; L528-F784 HydrophobicContact CD1-CG 4.45Å; L528-F784 HydrophobicContact CD2-CD1 4.31Å; L528-F784 HydrophobicContact CD2-CE1 3.64Å; L528-F784 HydrophobicContact CD2-CZ 3.78Å; L528-L791 HydrophobicContact CD1-CD1 4.24Å
529	L	65.5	Low	68.4	Low	21 Å²	21	59.4 Å²	59.4	11%	0.11	28%	0.276	C	S	.	.	H	α-helix	trans	-58.5	-49	176.4	-64.4	-176.8	0	0	0	110.3	V525 I526 K531 C532 E533 Q827 L831	V525-L529 HydrophobicContact CG1-CD1 3.65Å; V525-L529 HydrophobicContact CG1-CD2 4.29Å; V525-L529 HydrophobicContact CG1-CG 3.75Å; V525-L529 VanDerWaalsContact O-CG 3.32Å; V525-L529 WeakPolarHBondContact O-CG 3.32Å; V525-L529 PolarHBondContact O-N 3.15Å; I526-L529 PolarHBondContact O-N 2.89Å; L529-K531 PolarHBondContact O-N 3.44Å; L529-C532 CarbonylContact O-C 3.58Å; L529-C532 WeakPolarHBondContact O-CA 3.4Å; L529-C532 WeakPolarHBondContact O-CB 3.41Å; L529-C532 PolarHBondContact O-N 3.29Å; L529-C532 VanDerWaalsContact O-N 3.08Å; L529-E533 PolarHBondContact O-N 2.98Å; L529-Q827 HydrophobicContact CD1-CG 4.47Å; L529-Q827 VanDerWaalsContact CD1-OE1 3.24Å; L529-L831 HydrophobicContact CB-CD1 3.59Å; L529-L831 HydrophobicContact CD2-CD1 3.52Å; L529-L831 HydrophobicContact CG-CD1 4.03Å; L529-L831 WeakPolarHBondContact O-CD2 3.25Å
530	N	70.4	Confident	68.2	Low	58 Å²	58	59.8 Å²	59.8	31%	0.31	28%	0.282	S	S	.	.	H	α-helix	trans	-64.9	-21.2	176.6	-60.7	9.2	0	0	0	113	I526 R534	I526-N530 WeakPolarHBondContact O-CB 3.39Å; I526-N530 PolarHBondContact O-N 3.43Å; I526-N530 PolarHBondContact O-OD1 3.02Å; N530-R534 WeakPolarHBondContact O-CG 3.41Å; N530-R534 PolarHBondContact O-N 3.38Å
531	K	73.3	Confident	68.3	Low	106 Å²	106	57 Å²	57	46%	0.461	28%	0.275	S	S	.	.	H	α-helix	trans	-79.7	-39.8	171.7	-171	-172.7	171.4	-173.4	0	111.4	R527 L528 L529 E533 L535 M783	R527-K531 PolarHBondContact O-N 3.44Å; L528-K531 WeakPolarHBondContact O-CA 3.32Å; L528-K531 WeakPolarHBondContact O-CB 3.49Å; L528-K531 PolarHBondContact O-N 3.39Å; L529-K531 PolarHBondContact O-N 3.44Å; K531-E533 PolarHBondContact O-N 2.86Å; K531-L535 PolarHBondContact O-N 2.8Å; K531-M783 HydrophobicContact CB-CE 4.21Å; K531-M783 HydrophobicContact CD-CE 4.01Å; K531-M783 HydrophobicContact CG-CE 3.92Å
532	C	66.8	Low	68.6	Low	6 Å²	6	58 Å²	58	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-60.4	-37.5	168.9	-64.7	0	0	0	0	111	L528 L529 L535 T536 M783 L831	L528-C532 PolarHBondContact O-N 2.94Å; L528-C532 PolarHBondContact O-SG 3.2Å; L529-C532 CarbonylContact O-C 3.58Å; L529-C532 WeakPolarHBondContact O-CA 3.4Å; L529-C532 WeakPolarHBondContact O-CB 3.41Å; L529-C532 PolarHBondContact O-N 3.29Å; L529-C532 VanDerWaalsContact O-N 3.08Å; C532-L535 PolarHBondContact O-N 3.03Å; C532-T536 WeakPolarHBondContact O-CB 3.18Å; C532-T536 PolarHBondContact O-N 3Å; C532-T536 PolarHBondContact O-OG1 2.98Å; C532-M783 HydrophobicContact CB-CE 4.27Å; C532-M783 WeakPolarHBondContact SG-CE 3.26Å; C532-L831 HydrophobicContact CB-CB 4.13Å; C532-L831 HydrophobicContact CB-CD1 4.32Å; C532-L831 HydrophobicContact CB-CD2 3.84Å; C532-L831 HydrophobicContact CB-CG 4.32Å
533	E	68.5	Low	68.5	Low	82 Å²	82	56.7 Å²	56.7	38%	0.383	28%	0.276	S	S	.	.	H	α-helix	trans	-62.9	-47.8	-177.9	-160.1	166.6	-154	0	0	111.3	L529 K531 L535 T536 E537 L831	L529-E533 PolarHBondContact O-N 2.98Å; K531-E533 PolarHBondContact O-N 2.86Å; E533-L535 VanDerWaalsContact C-N 3.32Å; E533-L535 PolarHBondContact O-N 3.49Å; E533-T536 CarbonylContact O-C 3.58Å; E533-T536 WeakPolarHBondContact O-CA 3.33Å; E533-T536 WeakPolarHBondContact O-CB 3.26Å; E533-T536 PolarHBondContact O-N 3.15Å; E533-E537 WeakPolarHBondContact O-CG 3.25Å; E533-E537 PolarHBondContact O-N 2.95Å; E533-L831 HydrophobicContact CB-CD2 3.6Å; E533-L831 HydrophobicContact CG-CD2 4.09Å; E533-L831 VanDerWaalsContact N-CD2 3.29Å
534	R	75.3	Confident	68.4	Low	171 Å²	171	56.5 Å²	56.5	65%	0.645	28%	0.275	S	S	*	.	H	α-helix	trans	-62.6	-36.2	176.7	-67.1	171	-172	-176.5	1.8	113.3	N530 T536 Q538	N530-R534 WeakPolarHBondContact O-CG 3.41Å; N530-R534 PolarHBondContact O-N 3.38Å; R534-T536 VanDerWaalsContact C-N 3.34Å; R534-Q538 WeakPolarHBondContact O-CB 3.41Å; R534-Q538 WeakPolarHBondContact O-CG 3.25Å; R534-Q538 PolarHBondContact O-N 3.2Å
535	L	73.3	Confident	68.2	Low	47 Å²	47	62.7 Å²	62.7	25%	0.246	30%	0.296	C	S	.	.	H	α-helix	trans	-70.1	-33.7	172.7	-67.3	173.1	0	0	0	111.5	K531 C532 E533 Q538 V539 M783 F835	K531-L535 PolarHBondContact O-N 2.8Å; C532-L535 PolarHBondContact O-N 3.03Å; E533-L535 VanDerWaalsContact C-N 3.32Å; E533-L535 PolarHBondContact O-N 3.49Å; L535-Q538 PolarHBondContact O-N 3.19Å; L535-V539 WeakPolarHBondContact O-CG2 3.45Å; L535-V539 PolarHBondContact O-N 3.21Å; L535-M783 HydrophobicContact CD1-CE 3.74Å; L535-M783 HydrophobicContact CD1-SD 3.45Å; L535-M783 WeakPolarHBondContact CD1-SD 3.47Å; L535-F835 HydrophobicContact CB-CZ 3.95Å
536	T	68.5	Low	67.9	Low	25 Å²	25	62.5 Å²	62.5	15%	0.153	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-50.8	174.1	-56.1	0	0	0	0	110.7	C532 E533 R534 Q538 V539 A540 P834	C532-T536 WeakPolarHBondContact O-CB 3.18Å; C532-T536 PolarHBondContact O-N 3Å; C532-T536 PolarHBondContact O-OG1 2.98Å; E533-T536 CarbonylContact O-C 3.58Å; E533-T536 WeakPolarHBondContact O-CA 3.33Å; E533-T536 WeakPolarHBondContact O-CB 3.26Å; E533-T536 PolarHBondContact O-N 3.15Å; R534-T536 VanDerWaalsContact C-N 3.34Å; T536-Q538 VanDerWaalsContact C-N 3.32Å; T536-Q538 PolarHBondContact O-N 3.2Å; T536-V539 PolarHBondContact O-N 2.81Å; T536-A540 WeakPolarHBondContact O-CB 3.32Å; T536-A540 PolarHBondContact O-N 3.45Å; T536-P834 HydrophobicContact CG2-CB 4.22Å; T536-P834 HydrophobicContact CG2-CG 3.61Å; T536-P834 WeakPolarHBondContact OG1-CG 3.09Å
537	E	71.1	Confident	67.3	Low	123 Å²	123	60.5 Å²	60.5	58%	0.575	28%	0.284	S	S	*	.	H	α-helix	trans	-58.2	-42.3	175.4	-68.6	177.6	136.2	0	0	111.6	E533 S541	E533-E537 WeakPolarHBondContact O-CG 3.25Å; E533-E537 PolarHBondContact O-N 2.95Å; E537-S541 WeakPolarHBondContact O-CB 3.08Å; E537-S541 PolarHBondContact O-N 3.27Å; E537-S541 PolarHBondContact O-OG 2.95Å; E537-S541 VanDerWaalsContact O-OG 3.12Å
538	Q	73.3	Confident	66.2	Low	111 Å²	111	58 Å²	58	52%	0.519	28%	0.279	S	S	.	.	H	α-helix	trans	-61.5	-57.6	176.9	-77.8	172.3	-24.9	0	0	111.8	R534 L535 T536 A540 S541 H542	R534-Q538 WeakPolarHBondContact O-CB 3.41Å; R534-Q538 WeakPolarHBondContact O-CG 3.25Å; R534-Q538 PolarHBondContact O-N 3.2Å; L535-Q538 PolarHBondContact O-N 3.19Å; T536-Q538 VanDerWaalsContact C-N 3.32Å; T536-Q538 PolarHBondContact O-N 3.2Å; Q538-A540 VanDerWaalsContact C-N 3.34Å; Q538-A540 PolarHBondContact O-N 2.98Å; Q538-S541 PolarHBondContact O-N 3.26Å; Q538-S541 PolarHBondContact O-OG 3.34Å; Q538-H542 PolarHBondContact O-N 2.87Å
539	V	68.8	Low	64.8	Low	6 Å²	6	60.7 Å²	60.7	4%	0.036	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-42.8	-179.8	175.3	0	0	0	0	111.4	L535 T536 H542 A543 L613 L614 E617 V619 P834	L535-V539 WeakPolarHBondContact O-CG2 3.45Å; L535-V539 PolarHBondContact O-N 3.21Å; T536-V539 PolarHBondContact O-N 2.81Å; V539-H542 PolarHBondContact O-N 2.98Å; V539-A543 WeakPolarHBondContact O-CB 3.43Å; V539-A543 PolarHBondContact O-N 3.31Å; V539-L613 HydrophobicContact CG1-CD2 4.22Å; V539-L614 HydrophobicContact CG1-CD2 4.39Å; V539-E617 HydrophobicContact CG2-CB 4.07Å; V539-E617 HydrophobicContact CG2-CG 4.18Å; V539-V619 HydrophobicContact CG2-CG2 3.98Å; V539-P834 HydrophobicContact CB-CB 4.42Å; V539-P834 HydrophobicContact CG1-CB 4.31Å
540	A	67.6	Low	63.6	Low	28 Å²	28	62.4 Å²	62.4	23%	0.231	31%	0.305	C	S	.	.	H	α-helix	trans	-66.2	-40.4	178	0	0	0	0	0	112.4	T536 Q538 H542 A543 T544	T536-A540 WeakPolarHBondContact O-CB 3.32Å; T536-A540 PolarHBondContact O-N 3.45Å; Q538-A540 VanDerWaalsContact C-N 3.34Å; Q538-A540 PolarHBondContact O-N 2.98Å; A540-H542 VanDerWaalsContact C-N 3.32Å; A540-H542 PolarHBondContact O-N 3.17Å; A540-A543 PolarHBondContact O-N 2.89Å; A540-T544 WeakPolarHBondContact O-CB 3.18Å; A540-T544 PolarHBondContact O-N 2.94Å; A540-T544 PolarHBondContact O-OG1 3.22Å
541	S	69.4	Low	62	Low	62 Å²	62	64.6 Å²	64.6	43%	0.434	32%	0.315	S	S	.	.	H	α-helix	trans	-66.3	-34.7	175.9	73.8	0	0	0	0	112.2	E537 Q538 R545	E537-S541 WeakPolarHBondContact O-CB 3.08Å; E537-S541 PolarHBondContact O-N 3.27Å; E537-S541 PolarHBondContact O-OG 2.95Å; E537-S541 VanDerWaalsContact O-OG 3.12Å; Q538-S541 PolarHBondContact O-N 3.26Å; Q538-S541 PolarHBondContact O-OG 3.34Å; S541-R545 WeakPolarHBondContact O-CB 3.45Å; S541-R545 VanDerWaalsContact O-CG 3.26Å; S541-R545 WeakPolarHBondContact O-CG 3.38Å; S541-R545 PolarHBondContact O-N 3.38Å
542	H	66.8	Low	59.9	Low	39 Å²	39	66 Å²	66	18%	0.181	33%	0.328	C	S	.	.	H	α-helix	trans	-72.7	-41.2	175.3	-154	-100.2	0	0	0	111.5	Q538 V539 A540 T544 R545 L546 L613 H616 E617	Q538-H542 PolarHBondContact O-N 2.87Å; V539-H542 PolarHBondContact O-N 2.98Å; A540-H542 VanDerWaalsContact C-N 3.32Å; A540-H542 PolarHBondContact O-N 3.17Å; H542-T544 PolarHBondContact O-N 2.91Å; H542-R545 PolarHBondContact O-N 2.88Å; H542-L546 VanDerWaalsContact O-CG 3.3Å; H542-L546 WeakPolarHBondContact O-CG 3.37Å; H542-L546 PolarHBondContact O-N 2.66Å; H542-L613 HydrophobicContact CB-CD1 4.28Å; H542-L613 WeakPolarHBondContact ND1-CD1 3.33Å; H542-H616 AromaticContact CE1-CE1 3.63Å; H542-H616 AromaticContact CE1-ND1 3.61Å; H542-H616 AromaticContact NE2-CE1 3.95Å; H542-E617 HydrophobicContact CB-CG 4.5Å; H542-E617 IonicContact CD2-OE1 2.77Å; H542-E617 IonicContact CE1-OE1 3.45Å; H542-E617 IonicContact CG-OE1 3.73Å; H542-E617 IonicContact ND1-OE1 3.18Å; H542-E617 PolarHBondContact ND1-OE1 3Å; H542-E617 IonicContact NE2-OE1 2.77Å
543	A	62.7	Low	58.1	Low	7 Å²	7	72 Å²	72	6%	0.058	36%	0.359	C	S	.	.	H	α-helix	trans	-56.1	-48.9	171.2	0	0	0	0	0	111.8	V402 V539 A540 L546 L547 L613	V402-A543 HydrophobicContact CG2-CB 4.02Å; V539-A543 WeakPolarHBondContact O-CB 3.43Å; V539-A543 PolarHBondContact O-N 3.31Å; A540-A543 PolarHBondContact O-N 2.89Å; A543-L546 PolarHBondContact O-N 3.4Å; A543-L547 WeakPolarHBondContact O-CD1 3.48Å; A543-L547 VanDerWaalsContact O-CG 3.31Å; A543-L547 WeakPolarHBondContact O-CG 3.19Å; A543-L547 PolarHBondContact O-N 2.63Å; A543-L613 HydrophobicContact CB-CD2 3.61Å
544	T	64.8	Low	56.4	Low	40 Å²	40	73.1 Å²	73.1	25%	0.245	37%	0.373	C	S	.	.	H	α-helix	trans	-62.2	-48.8	-179.4	-50.3	0	0	0	0	110.9	V402 A540 H542 L546 L547 E548	V402-T544 WeakPolarHBondContact CG1-OG1 3.43Å; A540-T544 WeakPolarHBondContact O-CB 3.18Å; A540-T544 PolarHBondContact O-N 2.94Å; A540-T544 PolarHBondContact O-OG1 3.22Å; H542-T544 PolarHBondContact O-N 2.91Å; T544-L546 VanDerWaalsContact C-N 3.33Å; T544-L546 PolarHBondContact O-N 3.03Å; T544-L547 CarbonylContact O-C 3.55Å; T544-L547 WeakPolarHBondContact O-CA 3.34Å; T544-L547 PolarHBondContact O-N 2.77Å; T544-E548 HydrophobicContact CG2-CG 4.17Å; T544-E548 WeakPolarHBondContact O-CG 3.12Å; T544-E548 PolarHBondContact O-N 3.16Å
545	R	61.5	Low	54	Low	144 Å²	144	73.4 Å²	73.4	54%	0.543	38%	0.382	S	S	.	.	H	α-helix	trans	-63.6	-34.1	179.9	-74	176	65.8	-136.9	-5.5	113.6	S541 H542 L547 N549	S541-R545 WeakPolarHBondContact O-CB 3.45Å; S541-R545 VanDerWaalsContact O-CG 3.26Å; S541-R545 WeakPolarHBondContact O-CG 3.38Å; S541-R545 PolarHBondContact O-N 3.38Å; H542-R545 PolarHBondContact O-N 2.88Å; R545-L547 PolarHBondContact O-N 3.39Å; R545-N549 WeakPolarHBondContact O-CB 3.41Å; R545-N549 PolarHBondContact O-N 3.45Å; R545-N549 PolarHBondContact O-ND2 3.37Å
546	L	56	Low	51.8	Low	14 Å²	14	78.7 Å²	78.7	7%	0.073	41%	0.41	C	S	.	.	H	α-helix	trans	-66.7	-23.5	173.7	-71.4	172.2	0	0	0	112.5	H542 A543 T544 V584 L586 L613	H542-L546 VanDerWaalsContact O-CG 3.3Å; H542-L546 WeakPolarHBondContact O-CG 3.37Å; H542-L546 PolarHBondContact O-N 2.66Å; A543-L546 PolarHBondContact O-N 3.4Å; T544-L546 VanDerWaalsContact C-N 3.33Å; T544-L546 PolarHBondContact O-N 3.03Å; L546-V584 HydrophobicContact CD1-CB 4.12Å; L546-V584 HydrophobicContact CD1-CG1 3.79Å; L546-V584 HydrophobicContact CD2-CB 3.99Å; L546-V584 HydrophobicContact CD2-CG1 4.41Å; L546-L586 HydrophobicContact CB-CD1 4.04Å; L546-L586 HydrophobicContact CB-CG 4.33Å; L546-L586 VanDerWaalsContact O-CD1 3.31Å; L546-L586 WeakPolarHBondContact O-CD1 3.4Å; L546-L613 HydrophobicContact CD1-CD1 3.89Å
547	L	53.1	Low	50.1	Low	13 Å²	13	79.2 Å²	79.2	7%	0.068	42%	0.417	C	S	.	.	H	α-helix	trans	-96.8	-34.9	-177.9	-65.1	169.3	0	0	0	113.2	V393 L396 V402 A543 T544 R545 N549 T550 L586	V393-L547 HydrophobicContact CG1-CB 3.85Å; V393-L547 HydrophobicContact CG2-CB 4.05Å; V393-L547 HydrophobicContact CG2-CD2 4.02Å; L396-L547 HydrophobicContact CB-CD1 4.33Å; L396-L547 HydrophobicContact CD1-CD1 4.33Å; L396-L547 HydrophobicContact CD1-CD2 3.45Å; L396-L547 VanDerWaalsContact CD1-CD2 3.45Å; V402-L547 HydrophobicContact CG2-CD1 3.71Å; A543-L547 WeakPolarHBondContact O-CD1 3.48Å; A543-L547 VanDerWaalsContact O-CG 3.31Å; A543-L547 WeakPolarHBondContact O-CG 3.19Å; A543-L547 PolarHBondContact O-N 2.63Å; T544-L547 CarbonylContact O-C 3.55Å; T544-L547 WeakPolarHBondContact O-CA 3.34Å; T544-L547 PolarHBondContact O-N 2.77Å; R545-L547 PolarHBondContact O-N 3.39Å; L547-N549 VanDerWaalsContact C-N 3.29Å; L547-N549 PolarHBondContact O-N 3.12Å; L547-T550 WeakPolarHBondContact CA-OG1 3.3Å; L547-T550 PolarHBondContact O-N 3.04Å; L547-T550 PolarHBondContact O-OG1 2.94Å; L547-L586 HydrophobicContact CD2-CD1 3.65Å; L547-L586 HydrophobicContact CG-CD1 4.39Å
548	E	45.6	Very low	48.1	Very low	101 Å²	101	80.4 Å²	80.4	47%	0.472	43%	0.426	S	S	.	.	H	α-helix	trans	-57.3	-44.7	168	-70.5	169.2	153.6	0	0	110.3	T544 T550 I551 D552	T544-E548 HydrophobicContact CG2-CG 4.17Å; T544-E548 WeakPolarHBondContact O-CG 3.12Å; T544-E548 PolarHBondContact O-N 3.16Å; E548-T550 PolarHBondContact O-N 3.12Å; E548-I551 PolarHBondContact O-N 3.46Å; E548-D552 PolarHBondContact O-N 3.32Å
549	N	38.9	Very low	46	Very low	71 Å²	71	80.7 Å²	80.7	38%	0.38	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-1.2	174.2	-65.5	-21.8	0	0	0	115	R545 L547 I576	R545-N549 WeakPolarHBondContact O-CB 3.41Å; R545-N549 PolarHBondContact O-N 3.45Å; R545-N549 PolarHBondContact O-ND2 3.37Å; L547-N549 VanDerWaalsContact C-N 3.29Å; L547-N549 PolarHBondContact O-N 3.12Å; N549-I576 HydrophobicContact CB-CD1 3.62Å; N549-I576 HydrophobicContact CB-CG1 4.41Å
550	T	39.6	Very low	44.3	Very low	56 Å²	56	86.2 Å²	86.2	34%	0.344	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	7.2	171.7	53	0	0	0	0	113.5	V393 L547 E548 L586	V393-T550 VanDerWaalsContact CG2-OG1 3.31Å; V393-T550 WeakPolarHBondContact CG2-OG1 3.47Å; L547-T550 WeakPolarHBondContact CA-OG1 3.3Å; L547-T550 PolarHBondContact O-N 3.04Å; L547-T550 PolarHBondContact O-OG1 2.94Å; E548-T550 PolarHBondContact O-N 3.12Å; T550-L586 HydrophobicContact CG2-CD1 4.26Å
551	I	36.6	Very low	42.5	Very low	104 Å²	104	92 Å²	92	53%	0.533	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-37.1	177.3	-66.4	167.9	0	0	0	111.5	V393 E548 L553	V393-I551 HydrophobicContact CB-CD1 3.91Å; V393-I551 HydrophobicContact CB-CG1 4.35Å; V393-I551 HydrophobicContact CG1-CD1 3.8Å; V393-I551 HydrophobicContact CG2-CD1 3.97Å; V393-I551 HydrophobicContact CG2-CG1 3.95Å; E548-I551 PolarHBondContact O-N 3.46Å; I551-L553 VanDerWaalsContact C-N 3.33Å; I551-L553 PolarHBondContact O-N 2.99Å
552	D	30.1	Very low	40.6	Very low	135 Å²	135	95.1 Å²	95.1	72%	0.722	50%	0.499	S	S	*	.			trans	-80.5	71.8	-175.1	-70.7	-19.6	0	0	0	113.2	E548	E548-D552 PolarHBondContact O-N 3.32Å
553	L	29.2	Very low	38.9	Very low	133 Å²	133	102 Å²	102	70%	0.696	53%	0.531	S	S	*	.			trans	-114.4	113.4	156.6	-82.7	170.8	0	0	0	108.7	I551 E555	I551-L553 VanDerWaalsContact C-N 3.33Å; I551-L553 PolarHBondContact O-N 2.99Å; L553-E555 PolarHBondContact O-N 3.24Å
554	P	31.5	Very low	37.4	Very low	105 Å²	105	106.7 Å²	106.7	68%	0.682	56%	0.564	S	S	*	*			trans	-79.6	114	-174.6	30.8	-33.5	0	0	0	112.2	N556	P554-N556 PolarHBondContact O-N 3.19Å
555	E	25.1	Very low	35.7	Very low	178 Å²	178	112.5 Å²	112.5	83%	0.832	59%	0.593	S	S	*	*			trans	-67.6	105	168.8	176.7	178.5	-124.7	0	0	110.1	L553	L553-E555 PolarHBondContact O-N 3.24Å
556	N	27.5	Very low	34.1	Very low	157 Å²	157	109 Å²	109	84%	0.84	60%	0.602	S	S	*	*			trans	174.6	77.7	161	-95.1	-58.9	0	0	0	114.7	P554	P554-N556 PolarHBondContact O-N 3.19Å
557	A	32	Very low	32.9	Very low	36 Å²	36	115.5 Å²	115.5	30%	0.298	64%	0.642	S	S	.	*			trans	-150.4	64.5	170.4	0	0	0	0	0	115.2	E383	E383-A557 HydrophobicContact CB-CB 4.3Å; E383-A557 WeakPolarHBondContact OE2-CB 3.3Å
558	I	30.8	Very low	31.7	Very low	148 Å²	148	121.2 Å²	121.2	76%	0.759	68%	0.677	S	S	*	*			trans	-85.7	149.2	-178.1	-68.6	169.2	0	0	0	112.7
559	T	28.8	Very low	31.1	Very low	118 Å²	118	123.5 Å²	123.5	72%	0.724	69%	0.693	S	S	*	*			trans	68.2	138.1	175.2	41	0	0	0	0	116.9
560	D	31.9	Very low	30.5	Very low	122 Å²	122	128.1 Å²	128.1	65%	0.652	71%	0.712	S	S	*	*			cis	-153.4	135.3	11.8	-126.2	-28	0	0	0	115.1
561	Q	31.4	Very low	30.3	Very low	148 Å²	148	134.3 Å²	134.3	69%	0.692	74%	0.736	S	S	*	*			trans	42	119.3	144.6	-73.1	176	81.8	0	0	125.7
562	N	28.7	Very low	30	Very low	128 Å²	128	136.7 Å²	136.7	68%	0.684	75%	0.75	S	S	*	*				73.2	108.7	125.8	-59.4	-26.7	0	0	0	123.5
563	Q	31.8	Very low	30.1	Very low	183 Å²	183	132.4 Å²	132.4	86%	0.855	74%	0.738	S	S	*	*				161.5	136.3	109.1	-88.3	178.9	20.1	0	0	115.1
564	S	30.1	Very low	30.3	Very low	106 Å²	106	131.8 Å²	131.8	74%	0.741	73%	0.73	S	S	*	*			trans	59.4	153.9	161.8	64.7	0	0	0	0	118.9
565	D	28.9	Very low	30.2	Very low	163 Å²	163	129.8 Å²	129.8	87%	0.872	72%	0.716	S	S	*	*			cis	-160.8	139.3	-22.3	-104.7	-25.5	0	0	0	109.6
566	G	28.8	Very low	30.6	Very low	71 Å²	71	123.6 Å²	123.6	73%	0.732	69%	0.688	S	S	*	*			trans	95.6	145.8	153.6	0	0	0	0	0	120.3
567	V	31.4	Very low	30.8	Very low	150 Å²	150	121.6 Å²	121.6	91%	0.909	68%	0.678	S	S	*	*			trans	70.1	132	169.3	-166.5	0	0	0	0	116.7
568	V	26.3	Very low	30.8	Very low	132 Å²	132	129.8 Å²	129.8	80%	0.8	71%	0.706	S	S	*	*			trans	-119.6	136.5	177.4	-179.9	0	0	0	0	108.4
569	D	33.3	Very low	31	Very low	149 Å²	149	127.4 Å²	127.4	80%	0.797	71%	0.709	S	S	*	*			trans	-147.1	136.8	167.5	-158.9	5.7	0	0	0	109.5
570	E	26.9	Very low	31.3	Very low	169 Å²	169	128.7 Å²	128.7	79%	0.79	71%	0.711	S	S	*	*			trans	-107.1	96.6	-164.4	-69.9	-170.7	135.8	0	0	113.1
571	H	36.1	Very low	31.3	Very low	185 Å²	185	126.2 Å²	126.2	86%	0.856	72%	0.715	S	S	*	*			trans	-144.2	79.1	172	-89.3	-40.1	0	0	0	113.9
572	D	29.3	Very low	31.5	Very low	154 Å²	154	128.7 Å²	128.7	82%	0.824	72%	0.719	S	S	*	*			trans	-85.6	111.3	169.7	-173	15.6	0	0	0	111.3
573	G	31.7	Very low	31.9	Very low	46 Å²	46	125.2 Å²	125.2	47%	0.474	70%	0.704	S	S	.	*			trans	-163.4	79.3	-168.6	0	0	0	0	0	114.3	T575	G573-T575 PolarHBondContact O-N 3.44Å; G573-T575 PolarHBondContact O-OG1 3Å
574	F	33.3	Very low	32.6	Very low	120 Å²	120	117.5 Å²	117.5	53%	0.526	67%	0.669	S	S	.	*			trans	-55.8	117.4	-175.3	-166.6	-106.5	0	0	0	113.6	I576	F574-I576 HydrophobicContact CD1-CD1 4.27Å; F574-I576 HydrophobicContact CD1-CG1 3.93Å; F574-I576 HydrophobicContact CE1-CD1 3.98Å; F574-I576 HydrophobicContact CE1-CG1 3.58Å
575	T	29.6	Very low	33.6	Very low	62 Å²	62	116.1 Å²	116.1	38%	0.38	65%	0.651	S	S	.	*			trans	-120.7	102	-168.6	-63.3	0	0	0	0	112.3	G573 N577 P583 Q585	G573-T575 PolarHBondContact O-N 3.44Å; G573-T575 PolarHBondContact O-OG1 3Å; T575-N577 PolarHBondContact O-N 3.22Å; T575-P583 HydrophobicContact CG2-CB 4.32Å; T575-P583 HydrophobicContact CG2-CG 4.2Å; T575-Q585 PolarHBondContact OG1-NE2 3.14Å
576	I	34.7	Very low	34.9	Very low	49 Å²	49	110.5 Å²	110.5	25%	0.251	62%	0.621	S	S	.	*			trans	-83.6	103.2	-179	-57.4	158.7	0	0	0	110.6	N549 F574 P583	N549-I576 HydrophobicContact CB-CD1 3.62Å; N549-I576 HydrophobicContact CB-CG1 4.41Å; F574-I576 HydrophobicContact CD1-CD1 4.27Å; F574-I576 HydrophobicContact CD1-CG1 3.93Å; F574-I576 HydrophobicContact CE1-CD1 3.98Å; F574-I576 HydrophobicContact CE1-CG1 3.58Å; I576-P583 WeakPolarHBondContact O-CB 3.47Å
577	N	31	Very low	36.3	Very low	115 Å²	115	108.8 Å²	108.8	62%	0.615	60%	0.596	S	S	*	*			trans	-92.3	121.8	176.2	-75.1	-46.2	0	0	0	112.6	T575	T575-N577 PolarHBondContact O-N 3.22Å
578	K	32.9	Very low	37.5	Very low	207 Å²	207	107.4 Å²	107.4	90%	0.9	59%	0.588	S	S	*	*			trans	-168.6	144.4	145.5	-107.7	144.9	-163.7	167.1	0	116.6	N580	K578-N580 PolarHBondContact O-N 2.97Å
579	A	34.4	Very low	39.2	Very low	99 Å²	99	107.4 Å²	107.4	82%	0.818	58%	0.579	S	S	*	*	S	Bend	trans	66.5	-59.6	162.9	0	0	0	0	0	119.4
580	N	34.7	Very low	41.4	Very low	144 Å²	144	102.7 Å²	102.7	77%	0.77	55%	0.552	S	S	*	*	S	Bend	trans	-114.3	70	-164.7	-82	-2.5	0	0	0	114.8	K578 Y582	K578-N580 PolarHBondContact O-N 2.97Å; N580-Y582 PolarHBondContact O-N 2.92Å
581	G	31.9	Very low	43.9	Very low	70 Å²	70	94.9 Å²	94.9	72%	0.722	52%	0.516	S	S	*	.	S	Bend	trans	84.7	-55.5	153.6	0	0	0	0	0	117.4
582	Y	35	Very low	45.9	Very low	200 Å²	200	90.4 Å²	90.4	78%	0.784	51%	0.511	S	S	*	.	S	Bend	trans	-143.8	137.1	-177.9	-69.6	-81.7	0	0	0	111.9	N580	N580-Y582 PolarHBondContact O-N 2.92Å
583	P	37.2	Very low	48.5	Very low	56 Å²	56	83.8 Å²	83.8	36%	0.364	48%	0.476	S	S	.	.			trans	-74.4	127.7	178.8	30	-33.8	0	0	0	111.2	T575 I576 Q585	T575-P583 HydrophobicContact CG2-CB 4.32Å; T575-P583 HydrophobicContact CG2-CG 4.2Å; I576-P583 WeakPolarHBondContact O-CB 3.47Å; P583-Q585 PolarHBondContact O-N 3.21Å
584	V	47.9	Very low	51	Low	20 Å²	20	81.7 Å²	81.7	12%	0.121	45%	0.454	C	S	.	.			trans	-79.6	79.9	165.1	-174.2	0	0	0	0	108.2	L546 L586 H616	L546-V584 HydrophobicContact CD1-CB 4.12Å; L546-V584 HydrophobicContact CD1-CG1 3.79Å; L546-V584 HydrophobicContact CD2-CB 3.99Å; L546-V584 HydrophobicContact CD2-CG1 4.41Å; V584-L586 PolarHBondContact O-N 2.92Å; V584-H616 HydrophobicContact CG2-CB 3.86Å; V584-H616 WeakPolarHBondContact CG2-CD2 3.42Å
585	Q	51.2	Low	53.4	Low	78 Å²	78	77.8 Å²	77.8	36%	0.364	44%	0.438	S	S	.	.			trans	-57.3	111.8	163.4	-74.9	169.9	-29.2	0	0	107.9	T575 P583 V587 R612	T575-Q585 PolarHBondContact OG1-NE2 3.14Å; P583-Q585 PolarHBondContact O-N 3.21Å; Q585-V587 PolarHBondContact O-N 3.4Å; Q585-R612 PolarHBondContact O-NH1 3.4Å; Q585-R612 PolarHBondContact O-NH2 3.16Å
586	L	55.6	Low	55.7	Low	45 Å²	45	80.7 Å²	80.7	24%	0.236	46%	0.458	C	S	.	.			trans	-62.7	117.8	163.9	-77.4	174.6	0	0	0	106.9	L546 L547 T550 V584 T588 N609	L546-L586 HydrophobicContact CB-CD1 4.04Å; L546-L586 HydrophobicContact CB-CG 4.33Å; L546-L586 VanDerWaalsContact O-CD1 3.31Å; L546-L586 WeakPolarHBondContact O-CD1 3.4Å; L547-L586 HydrophobicContact CD2-CD1 3.65Å; L547-L586 HydrophobicContact CG-CD1 4.39Å; T550-L586 HydrophobicContact CG2-CD1 4.26Å; V584-L586 PolarHBondContact O-N 2.92Å; L586-T588 PolarHBondContact O-N 3.41Å; L586-N609 HydrophobicContact CD2-CB 4.15Å
587	V	58.2	Low	57.8	Low	34 Å²	34	86 Å²	86	21%	0.206	49%	0.486	C	S	.	.			trans	-84.7	109	-172.2	155.3	0	0	0	0	108	Q585 Q589 L605 N609 R612	Q585-V587 PolarHBondContact O-N 3.4Å; V587-Q589 WeakPolarHBondContact CG1-O 3.44Å; V587-L605 HydrophobicContact CG1-CD1 4.37Å; V587-L605 WeakPolarHBondContact O-CD1 3.3Å; V587-N609 PolarHBondContact N-OD1 2.92Å; V587-N609 PolarHBondContact O-ND2 3.48Å; V587-R612 VanDerWaalsContact CG2-CZ 3.45Å
588	T	57.5	Low	60.3	Low	121 Å²	121	84.7 Å²	84.7	74%	0.742	47%	0.473	S	S	*	.			trans	-83.2	-23.5	179.5	47.6	0	0	0	0	112.7	L586 L605	L586-T588 PolarHBondContact O-N 3.41Å; T588-L605 VanDerWaalsContact O-CD2 3.28Å; T588-L605 WeakPolarHBondContact O-CD2 3.28Å
589	Q	61.3	Low	62.7	Low	132 Å²	132	81.8 Å²	81.8	62%	0.617	46%	0.462	S	S	*	.	S	Bend	trans	-103.6	-176.4	177.6	-59.8	-175.8	5.1	0	0	111	V587 L605	V587-Q589 WeakPolarHBondContact CG1-O 3.44Å; Q589-L605 VanDerWaalsContact O-CD1 3.28Å; Q589-L605 WeakPolarHBondContact O-CD1 3.09Å
590	Q	79.1	Confident	65.1	Low	51 Å²	51	77.6 Å²	77.6	24%	0.238	43%	0.426	C	S	.	.			trans	-86.8	143.6	174	-176.4	167.5	-67.1	0	0	110.9	A592 L594 R598 L600	Q590-A592 PolarHBondContact O-N 3.14Å; Q590-L594 HydrophobicContact CG-CB 4.16Å; Q590-L594 HydrophobicContact CG-CD1 3.63Å; Q590-R598 PolarHBondContact NE2-O 3.22Å; Q590-R598 PolarHBondContact OE1-O 2.65Å; Q590-L600 HydrophobicContact CG-CD1 4.07Å; Q590-L600 HydrophobicContact CG-CG 4.26Å
591	P	79	Confident	67.5	Low	4 Å²	4	75.2 Å²	75.2	3%	0.026	41%	0.409	C	S	.	.			trans	-47.6	120.5	165.4	-31.9	37	0	0	0	112	I593 L594 L608 A640 E644	P591-I593 PolarHBondContact O-N 3.31Å; P591-L594 HydrophobicContact CB-CD1 3.89Å; P591-L594 HydrophobicContact CB-CG 4.11Å; P591-L594 HydrophobicContact CG-CD1 4.03Å; P591-L594 VanDerWaalsContact O-CB 3.29Å; P591-L594 WeakPolarHBondContact O-CB 3.43Å; P591-L594 PolarHBondContact O-N 2.67Å; P591-L608 HydrophobicContact CG-CD2 3.65Å; P591-A640 HydrophobicContact CB-CB 4.17Å; P591-E644 WeakPolarHBondContact CA-OE1 3.34Å; P591-E644 WeakPolarHBondContact CB-OE1 3.26Å; P591-E644 WeakPolarHBondContact CB-OE2 3.28Å
592	A	79.2	Confident	69.8	Low	92 Å²	92	76.2 Å²	76.2	76%	0.76	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-20	-173.1	0	0	0	0	0	114.1	Q590 L594 E644	Q590-A592 PolarHBondContact O-N 3.14Å; A592-L594 VanDerWaalsContact C-N 3.25Å; A592-L594 PolarHBondContact O-N 3.4Å; A592-E644 PolarHBondContact N-OE1 2.9Å
593	I	83.5	Confident	72.1	Confident	14 Å²	14	66.9 Å²	66.9	7%	0.072	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-15.9	171.3	-163.6	-178.6	0	0	0	113.3	P591 A640 W643 E644 H673	P591-I593 PolarHBondContact O-N 3.31Å; I593-A640 HydrophobicContact CG2-CB 3.42Å; I593-A640 VanDerWaalsContact CG2-CB 3.42Å; I593-W643 HydrophobicContact CD1-CB 4.29Å; I593-W643 HydrophobicContact CD1-CD2 3.33Å; I593-W643 HydrophobicContact CD1-CE3 3.44Å; I593-W643 VanDerWaalsContact CD1-CE3 3.44Å; I593-W643 HydrophobicContact CD1-CG 3.75Å; I593-W643 HydrophobicContact CD1-CH2 4.18Å; I593-W643 HydrophobicContact CD1-CZ2 4.1Å; I593-W643 HydrophobicContact CD1-CZ3 3.86Å; I593-W643 HydrophobicContact CG1-CE3 4.5Å; I593-E644 HydrophobicContact CB-CG 4.42Å; I593-E644 HydrophobicContact CG2-CG 4.1Å; I593-E644 WeakPolarHBondContact CG2-OE1 3.49Å; I593-E644 PolarHBondContact N-OE1 3.32Å; I593-H673 HydrophobicContact CD1-CB 3.77Å; I593-H673 HydrophobicContact CG1-CB 3.75Å
594	L	83.8	Confident	74.5	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.016	35%	0.351	C	S	.	.	S	Bend	trans	-75	142.7	173.7	-65.4	168.6	0	0	0	110.3	Q590 P591 A592 P596 L600 I636 A637 A640 W670 C671	Q590-L594 HydrophobicContact CG-CB 4.16Å; Q590-L594 HydrophobicContact CG-CD1 3.63Å; P591-L594 HydrophobicContact CB-CD1 3.89Å; P591-L594 HydrophobicContact CB-CG 4.11Å; P591-L594 HydrophobicContact CG-CD1 4.03Å; P591-L594 VanDerWaalsContact O-CB 3.29Å; P591-L594 WeakPolarHBondContact O-CB 3.43Å; P591-L594 PolarHBondContact O-N 2.67Å; A592-L594 VanDerWaalsContact C-N 3.25Å; A592-L594 PolarHBondContact O-N 3.4Å; L594-P596 VanDerWaalsContact O-CD 3.27Å; L594-P596 WeakPolarHBondContact O-CD 3.35Å; L594-P596 VanDerWaalsContact O-N 3.11Å; L594-L600 HydrophobicContact CD1-CD1 4.18Å; L594-I636 HydrophobicContact CD2-CG2 4.25Å; L594-A637 HydrophobicContact CD1-CB 3.79Å; L594-A640 HydrophobicContact CD1-CB 4.43Å; L594-A640 HydrophobicContact CD2-CB 3.73Å; L594-A640 HydrophobicContact CG-CB 3.83Å; L594-W670 CarbonylContact C-O 3.58Å; L594-W670 VanDerWaalsContact CA-O 3.27Å; L594-W670 WeakPolarHBondContact CA-O 3.4Å; L594-W670 HydrophobicContact CD2-CB 4.32Å; L594-W670 WeakPolarHBondContact CD2-O 3.33Å; L594-C671 HydrophobicContact CD2-CB 4.04Å
595	N	83.5	Confident	76.3	Confident	38 Å²	38	65.3 Å²	65.3	20%	0.203	35%	0.354	C	S	.	.			trans	-49.6	113.8	-179.5	-176.4	-13.5	0	0	0	111.7	L597 R598 L669 W670	N595-L597 PolarHBondContact O-N 3.09Å; N595-L597 WeakPolarHBondContact OD1-CB 3.24Å; N595-L597 PolarHBondContact OD1-N 2.98Å; N595-L597 VanDerWaalsContact OD1-N 3.14Å; N595-R598 PolarHBondContact O-N 3.24Å; N595-L669 WeakPolarHBondContact CB-O 3.32Å; N595-L669 PolarHBondContact ND2-O 3.3Å; N595-W670 PolarHBondContact N-O 3.48Å
596	P	77.7	Confident	77.8	Confident	123 Å²	123	62.3 Å²	62.3	80%	0.799	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.7	-176.1	-27.9	36.5	0	0	0	114.8	L594 R598	L594-P596 VanDerWaalsContact O-CD 3.27Å; L594-P596 WeakPolarHBondContact O-CD 3.35Å; L594-P596 VanDerWaalsContact O-N 3.11Å; P596-R598 PolarHBondContact O-N 3.1Å
597	L	80.1	Confident	79.3	Confident	161 Å²	161	60.1 Å²	60.1	84%	0.843	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	2.6	175.9	-56.5	177	0	0	0	113.6	N595	N595-L597 PolarHBondContact O-N 3.09Å; N595-L597 WeakPolarHBondContact OD1-CB 3.24Å; N595-L597 PolarHBondContact OD1-N 2.98Å; N595-L597 VanDerWaalsContact OD1-N 3.14Å
598	R	82.7	Confident	80.8	Confident	87 Å²	87	58.5 Å²	58.5	33%	0.328	32%	0.319	S	S	.	.			trans	-138.6	117.5	-175	-64	-176.5	169.1	-119.6	-10.6	111.3	Q590 N595 P596 W670	Q590-R598 PolarHBondContact NE2-O 3.22Å; Q590-R598 PolarHBondContact OE1-O 2.65Å; N595-R598 PolarHBondContact O-N 3.24Å; P596-R598 PolarHBondContact O-N 3.1Å; R598-W670 HydrophobicContact CB-CD2 4.38Å; R598-W670 HydrophobicContact CB-CE3 3.79Å; R598-W670 HydrophobicContact CB-CH2 3.85Å; R598-W670 HydrophobicContact CB-CZ2 4.41Å; R598-W670 HydrophobicContact CB-CZ3 3.51Å
599	E	84.2	Confident	82.1	Confident	145 Å²	145	53.9 Å²	53.9	68%	0.678	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-100.7	132.2	-177.5	-169	-165	-148.1	0	0	112.4	K601	E599-K601 IonicContact OE2-NZ 3.93Å
600	L	85.1	Confident	83.3	Confident	12 Å²	12	48.2 Å²	48.2	6%	0.063	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-67.1	135.5	169.4	-68.2	176.1	0	0	0	111.3	Q590 L594 Q604 L608 V633 A637 W670	Q590-L600 HydrophobicContact CG-CD1 4.07Å; Q590-L600 HydrophobicContact CG-CG 4.26Å; L594-L600 HydrophobicContact CD1-CD1 4.18Å; L600-Q604 HydrophobicContact CB-CB 4.41Å; L600-Q604 HydrophobicContact CD2-CB 4.36Å; L600-L608 HydrophobicContact CD1-CD2 4.29Å; L600-V633 HydrophobicContact CD2-CG1 3.51Å; L600-A637 HydrophobicContact CD1-CB 3.83Å; L600-A637 HydrophobicContact CD2-CB 4.15Å; L600-W670 HydrophobicContact CD2-CH2 4.45Å; L600-W670 HydrophobicContact CD2-CZ3 4.13Å
601	K	84.6	Confident	83.8	Confident	93 Å²	93	46 Å²	46	40%	0.404	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-70.5	151.5	173.5	-60.8	-49.3	-178	-167.2	0	111.5	E599 Y603 Q604 L605	E599-K601 IonicContact OE2-NZ 3.93Å; K601-Y603 VanDerWaalsContact C-N 3.27Å; K601-Y603 HydrophobicContact CB-CD1 3.99Å; K601-Y603 HydrophobicContact CB-CE1 3.71Å; K601-Y603 HydrophobicContact CG-CE1 4.44Å; K601-Y603 PolarHBondContact O-N 3.41Å; K601-Y603 VanDerWaalsContact O-N 3.09Å; K601-Q604 HydrophobicContact CB-CG 4.26Å; K601-Q604 WeakPolarHBondContact O-CA 3.29Å; K601-Q604 VanDerWaalsContact O-CB 3.27Å; K601-Q604 WeakPolarHBondContact O-CB 3.27Å; K601-Q604 PolarHBondContact O-N 2.88Å; K601-L605 PolarHBondContact O-N 3.39Å; K601-L605 VanDerWaalsContact O-N 3.09Å
602	P	80.5	Confident	84.2	Confident	92 Å²	92	47.4 Å²	47.4	60%	0.597	26%	0.258	S	S	*	.	H	α-helix	trans	-53.8	-37.4	-173.8	-30.7	36.3	0	0	0	114.8	Q604 L605 V606	P602-Q604 VanDerWaalsContact C-N 3.35Å; P602-Q604 PolarHBondContact O-N 2.84Å; P602-L605 PolarHBondContact O-N 2.69Å; P602-V606 WeakPolarHBondContact O-CG2 3.36Å; P602-V606 PolarHBondContact O-N 3.46Å
603	Y	82.7	Confident	84.4	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-69.7	-29.5	174.3	77.1	-91.8	0	0	0	113	K601 V606 G607 L629 R839 V844 L845	K601-Y603 VanDerWaalsContact C-N 3.27Å; K601-Y603 HydrophobicContact CB-CD1 3.99Å; K601-Y603 HydrophobicContact CB-CE1 3.71Å; K601-Y603 HydrophobicContact CG-CE1 4.44Å; K601-Y603 PolarHBondContact O-N 3.41Å; K601-Y603 VanDerWaalsContact O-N 3.09Å; Y603-V606 WeakPolarHBondContact O-CB 3.06Å; Y603-V606 PolarHBondContact O-N 3.36Å; Y603-G607 PolarHBondContact O-N 2.87Å; Y603-L629 HydrophobicContact CE2-CB 4.13Å; Y603-L629 VanDerWaalsContact CE2-O 3.31Å; Y603-L629 WeakPolarHBondContact CE2-O 3.43Å; Y603-L629 PolarHBondContact OH-O 3.29Å; Y603-R839 PolarHBondContact O-NH1 2.81Å; Y603-V844 HydrophobicContact CD1-CB 3.95Å; Y603-V844 HydrophobicContact CD1-CG2 4.07Å; Y603-V844 HydrophobicContact CD2-CB 4.27Å; Y603-V844 HydrophobicContact CD2-CG2 3.97Å; Y603-V844 HydrophobicContact CE1-CG2 4.28Å; Y603-V844 HydrophobicContact CE2-CG2 4.19Å; Y603-V844 HydrophobicContact CG-CB 3.77Å; Y603-V844 HydrophobicContact CG-CG1 4.3Å; Y603-V844 HydrophobicContact CG-CG2 3.92Å; Y603-L845 HydrophobicContact CE1-CD2 3.87Å; Y603-L845 HydrophobicContact CE1-CG 4.16Å
604	Q	87.6	Confident	84.6	Confident	9 Å²	9	43.1 Å²	43.1	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-70	-38.7	175.1	-60.5	175.8	-31.5	0	0	110.6	L600 K601 P602 G607 L608 L629 Q634	L600-Q604 HydrophobicContact CB-CB 4.41Å; L600-Q604 HydrophobicContact CD2-CB 4.36Å; K601-Q604 HydrophobicContact CB-CG 4.26Å; K601-Q604 WeakPolarHBondContact O-CA 3.29Å; K601-Q604 VanDerWaalsContact O-CB 3.27Å; K601-Q604 WeakPolarHBondContact O-CB 3.27Å; K601-Q604 PolarHBondContact O-N 2.88Å; P602-Q604 VanDerWaalsContact C-N 3.35Å; P602-Q604 PolarHBondContact O-N 2.84Å; Q604-G607 PolarHBondContact O-N 2.94Å; Q604-G607 VanDerWaalsContact O-N 3.14Å; Q604-L608 PolarHBondContact O-N 2.69Å; Q604-L629 PolarHBondContact NE2-O 3Å; Q604-Q634 HydrophobicContact CB-CG 3.73Å; Q604-Q634 HydrophobicContact CG-CG 3.99Å
605	L	84.9	Confident	84.8	Confident	34 Å²	34	45 Å²	45	18%	0.178	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-41.3	171.4	-176.3	65.5	0	0	0	112.2	V587 T588 Q589 K601 P602 G607 L608 N609	V587-L605 HydrophobicContact CG1-CD1 4.37Å; V587-L605 WeakPolarHBondContact O-CD1 3.3Å; T588-L605 VanDerWaalsContact O-CD2 3.28Å; T588-L605 WeakPolarHBondContact O-CD2 3.28Å; Q589-L605 VanDerWaalsContact O-CD1 3.28Å; Q589-L605 WeakPolarHBondContact O-CD1 3.09Å; K601-L605 PolarHBondContact O-N 3.39Å; K601-L605 VanDerWaalsContact O-N 3.09Å; P602-L605 PolarHBondContact O-N 2.69Å; L605-G607 VanDerWaalsContact C-N 3.3Å; L605-G607 PolarHBondContact O-N 3.42Å; L605-L608 HydrophobicContact CD1-CD2 4.24Å; L605-L608 WeakPolarHBondContact O-CB 3.3Å; L605-L608 PolarHBondContact O-N 3.16Å; L605-N609 PolarHBondContact O-N 2.91Å; L605-N609 PolarHBondContact O-ND2 3.36Å
606	V	82.5	Confident	84.7	Confident	14 Å²	14	46.5 Å²	46.5	9%	0.085	24%	0.236	C	C	.	.	H	α-helix	trans	-58	-42.3	170.1	164.1	0	0	0	0	111.7	Y395 L396 V399 V401 P602 Y603 N609 W610	Y395-V606 HydrophobicContact CD1-CG2 4.07Å; Y395-V606 HydrophobicContact CE1-CG2 3.97Å; L396-V606 HydrophobicContact CD2-CB 4.11Å; L396-V606 HydrophobicContact CD2-CG1 3.44Å; L396-V606 VanDerWaalsContact CD2-CG1 3.44Å; L396-V606 HydrophobicContact CD2-CG2 3.71Å; L396-V606 HydrophobicContact CG-CG2 4.18Å; V399-V606 HydrophobicContact CG2-CG1 4.03Å; V401-V606 HydrophobicContact CG2-CG1 3.8Å; P602-V606 WeakPolarHBondContact O-CG2 3.36Å; P602-V606 PolarHBondContact O-N 3.46Å; Y603-V606 WeakPolarHBondContact O-CB 3.06Å; Y603-V606 PolarHBondContact O-N 3.36Å; V606-N609 PolarHBondContact O-N 2.68Å; V606-W610 PolarHBondContact O-N 3.26Å
607	G	87.3	Confident	84.9	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.7	-39	177	0	0	0	0	0	112.8	Y603 Q604 L605 W610 L611	Y603-G607 PolarHBondContact O-N 2.87Å; Q604-G607 PolarHBondContact O-N 2.94Å; Q604-G607 VanDerWaalsContact O-N 3.14Å; L605-G607 VanDerWaalsContact C-N 3.3Å; L605-G607 PolarHBondContact O-N 3.42Å; G607-W610 PolarHBondContact O-N 2.9Å; G607-L611 WeakPolarHBondContact O-CG 3.19Å; G607-L611 PolarHBondContact O-N 2.97Å
608	L	89.4	Confident	85.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.5	-46.7	172.5	174.9	60.1	0	0	0	111.7	P591 L600 Q604 L605 W610 L611 R612 A637 F638	P591-L608 HydrophobicContact CG-CD2 3.65Å; L600-L608 HydrophobicContact CD1-CD2 4.29Å; Q604-L608 PolarHBondContact O-N 2.69Å; L605-L608 HydrophobicContact CD1-CD2 4.24Å; L605-L608 WeakPolarHBondContact O-CB 3.3Å; L605-L608 PolarHBondContact O-N 3.16Å; L608-W610 PolarHBondContact O-N 3.31Å; L608-L611 PolarHBondContact O-N 3.22Å; L608-R612 HydrophobicContact CD1-CG 4.18Å; L608-R612 WeakPolarHBondContact O-CG 3.16Å; L608-R612 PolarHBondContact O-N 2.92Å; L608-A637 HydrophobicContact CD1-CB 4.37Å; L608-A637 WeakPolarHBondContact CD1-O 3.49Å; L608-A637 HydrophobicContact CD2-CB 4.33Å; L608-F638 VanDerWaalsContact CD1-CA 3.45Å; L608-F638 HydrophobicContact CD1-CB 4Å; L608-F638 HydrophobicContact CD1-CD2 4.4Å
609	N	86.1	Confident	85.2	Confident	24 Å²	24	38.4 Å²	38.4	13%	0.128	19%	0.188	C	C	.	.	H	α-helix	trans	-66.4	-36	178.6	-78.9	-46.2	0	0	0	112.8	L586 V587 L605 V606 R612 L613	L586-N609 HydrophobicContact CD2-CB 4.15Å; V587-N609 PolarHBondContact N-OD1 2.92Å; V587-N609 PolarHBondContact O-ND2 3.48Å; L605-N609 PolarHBondContact O-N 2.91Å; L605-N609 PolarHBondContact O-ND2 3.36Å; V606-N609 PolarHBondContact O-N 2.68Å; N609-R612 PolarHBondContact O-N 2.83Å; N609-R612 PolarHBondContact OD1-NH1 3.48Å; N609-R612 VanDerWaalsContact OD1-NH1 3.14Å; N609-L613 PolarHBondContact O-N 2.74Å
610	W	86.3	Confident	85.5	Confident	13 Å²	13	32.4 Å²	32.4	5%	0.049	16%	0.161	C	C	.	.	H	α-helix	trans	-62.5	-43.1	170.4	178.3	78.5	0	0	0	112.4	V606 G607 L608 R612 L613 L614 I622 L623 P834 L837	V606-W610 PolarHBondContact O-N 3.26Å; G607-W610 PolarHBondContact O-N 2.9Å; L608-W610 PolarHBondContact O-N 3.31Å; W610-R612 PolarHBondContact O-N 3.08Å; W610-L613 PolarHBondContact O-N 3.07Å; W610-L614 HydrophobicContact CD2-CD1 4.07Å; W610-L614 HydrophobicContact CE3-CD1 4.09Å; W610-L614 HydrophobicContact CH2-CD1 3.61Å; W610-L614 HydrophobicContact CZ2-CD1 3.57Å; W610-L614 HydrophobicContact CZ2-CG 4.47Å; W610-L614 HydrophobicContact CZ3-CD1 3.87Å; W610-L614 PolarHBondContact O-N 2.88Å; W610-I622 WeakPolarHBondContact CH2-O 3.31Å; W610-L623 HydrophobicContact CZ3-CD1 4.39Å; W610-P834 WeakPolarHBondContact CZ2-O 3.15Å; W610-P834 PolarHBondContact NE1-O 2.98Å; W610-L837 HydrophobicContact CB-CD2 4.08Å; W610-L837 HydrophobicContact CD2-CB 3.78Å; W610-L837 HydrophobicContact CD2-CD2 3.8Å; W610-L837 HydrophobicContact CD2-CG 4.37Å; W610-L837 HydrophobicContact CE3-CB 3.69Å; W610-L837 HydrophobicContact CE3-CD2 3.69Å; W610-L837 HydrophobicContact CE3-CG 4.35Å; W610-L837 HydrophobicContact CG-CD2 3.99Å; W610-L837 HydrophobicContact CH2-CB 3.65Å; W610-L837 HydrophobicContact CZ2-CB 3.71Å; W610-L837 HydrophobicContact CZ3-CB 3.63Å; W610-L837 HydrophobicContact CZ3-CD2 4.38Å
611	L	90	Very high	85.6	Confident	5 Å²	5	32 Å²	32	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-65.1	-37.9	175.4	-68.8	173	0	0	0	112.7	G607 L608 L614 H615 F638 L758	G607-L611 WeakPolarHBondContact O-CG 3.19Å; G607-L611 PolarHBondContact O-N 2.97Å; L608-L611 PolarHBondContact O-N 3.22Å; L611-L614 PolarHBondContact O-N 2.71Å; L611-H615 PolarHBondContact O-N 3.42Å; L611-F638 HydrophobicContact CB-CB 4.34Å; L611-F638 HydrophobicContact CB-CD2 3.49Å; L611-F638 VanDerWaalsContact CB-CD2 3.49Å; L611-F638 HydrophobicContact CB-CE2 3.87Å; L611-F638 HydrophobicContact CB-CG 3.87Å; L611-F638 HydrophobicContact CD1-CB 3.8Å; L611-F638 HydrophobicContact CD1-CD2 4.49Å; L611-F638 HydrophobicContact CD1-CG 4.03Å; L611-F638 WeakPolarHBondContact O-CE2 3.47Å; L611-L758 HydrophobicContact CD1-CD2 4.35Å; L611-L758 HydrophobicContact CD2-CD1 3.62Å; L611-L758 HydrophobicContact CD2-CD2 3.99Å; L611-L758 HydrophobicContact CD2-CG 4.47Å
612	R	86.3	Confident	85.9	Confident	33 Å²	33	27.6 Å²	27.6	13%	0.125	14%	0.14	C	C	.	.	H	α-helix	trans	-67.7	-36.8	175.2	-71.6	173.7	71.4	-109.3	1	112.1	Q585 V587 L608 N609 W610 H615 H616 F638 S641	Q585-R612 PolarHBondContact O-NH1 3.4Å; Q585-R612 PolarHBondContact O-NH2 3.16Å; V587-R612 VanDerWaalsContact CG2-CZ 3.45Å; L608-R612 HydrophobicContact CD1-CG 4.18Å; L608-R612 WeakPolarHBondContact O-CG 3.16Å; L608-R612 PolarHBondContact O-N 2.92Å; N609-R612 PolarHBondContact O-N 2.83Å; N609-R612 PolarHBondContact OD1-NH1 3.48Å; N609-R612 VanDerWaalsContact OD1-NH1 3.14Å; W610-R612 PolarHBondContact O-N 3.08Å; R612-H615 PolarHBondContact O-N 2.63Å; R612-H616 PolarHBondContact O-N 3.06Å; R612-H616 VanDerWaalsContact O-N 3.12Å; R612-F638 HydrophobicContact CG-CD2 4.21Å; R612-F638 HydrophobicContact CG-CE2 4.36Å; R612-S641 WeakPolarHBondContact CD-OG 3.39Å
613	L	84.1	Confident	86.5	Confident	11 Å²	11	23.2 Å²	23.2	6%	0.058	11%	0.112	C	C	.	.	H	α-helix	trans	-61.5	-48.2	170.3	176.5	63.6	0	0	0	111.6	V539 H542 A543 L546 N609 W610 H615 H616 E617	V539-L613 HydrophobicContact CG1-CD2 4.22Å; H542-L613 HydrophobicContact CB-CD1 4.28Å; H542-L613 WeakPolarHBondContact ND1-CD1 3.33Å; A543-L613 HydrophobicContact CB-CD2 3.61Å; L546-L613 HydrophobicContact CD1-CD1 3.89Å; N609-L613 PolarHBondContact O-N 2.74Å; W610-L613 PolarHBondContact O-N 3.07Å; L613-H615 VanDerWaalsContact C-N 3.27Å; L613-H615 PolarHBondContact O-N 3.27Å; L613-H616 WeakPolarHBondContact O-CB 3.22Å; L613-H616 PolarHBondContact O-N 2.83Å; L613-H616 VanDerWaalsContact O-N 3.1Å; L613-E617 HydrophobicContact CD1-CG 3.82Å; L613-E617 HydrophobicContact CG-CG 4.29Å; L613-E617 PolarHBondContact O-N 3.5Å
614	L	86.4	Confident	86.8	Confident	4 Å²	4	23 Å²	23	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-60.5	-35.6	177.1	-69.9	178.8	0	0	0	112.7	V539 W610 L611 Q618 V619	V539-L614 HydrophobicContact CG1-CD2 4.39Å; W610-L614 HydrophobicContact CD2-CD1 4.07Å; W610-L614 HydrophobicContact CE3-CD1 4.09Å; W610-L614 HydrophobicContact CH2-CD1 3.61Å; W610-L614 HydrophobicContact CZ2-CD1 3.57Å; W610-L614 HydrophobicContact CZ2-CG 4.47Å; W610-L614 HydrophobicContact CZ3-CD1 3.87Å; W610-L614 PolarHBondContact O-N 2.88Å; L611-L614 PolarHBondContact O-N 2.71Å; L614-Q618 PolarHBondContact O-N 2.94Å; L614-V619 HydrophobicContact CD2-CB 4.04Å; L614-V619 HydrophobicContact CD2-CG1 4.41Å; L614-V619 PolarHBondContact O-N 3.34Å
615	H	87.9	Confident	86.8	Confident	44 Å²	44	22.6 Å²	22.6	20%	0.204	11%	0.109	C	C	.	.	H	α-helix	trans	-62.1	-44.1	172.9	176.5	-119.6	0	0	0	112.3	L611 R612 L613 Q618 F638 L642 R728 Y729	L611-H615 PolarHBondContact O-N 3.42Å; R612-H615 PolarHBondContact O-N 2.63Å; L613-H615 VanDerWaalsContact C-N 3.27Å; L613-H615 PolarHBondContact O-N 3.27Å; H615-Q618 PolarHBondContact O-N 3.1Å; H615-F638 HydrophobicContact CB-CE2 4.13Å; H615-F638 HydrophobicContact CB-CZ 4.09Å; H615-L642 HydrophobicContact CB-CD2 4.46Å; H615-L642 WeakPolarHBondContact ND1-CD2 3.39Å; H615-R728 PolarHBondContact NE2-NH2 2.81Å; H615-Y729 WeakPolarHBondContact CB-OH 3.4Å; H615-Y729 AromaticContact CD2-CE2 3.71Å; H615-Y729 PolarHBondContact CD2-OH 2.77Å
616	H	83.3	Confident	86.8	Confident	68 Å²	68	22.2 Å²	22.2	32%	0.315	11%	0.106	S	C	.	.	H	α-helix	trans	-65.1	-52.4	177.7	-178.7	-95	0	0	0	112.2	H542 V584 R612 L613 Q618	H542-H616 AromaticContact CE1-CE1 3.63Å; H542-H616 AromaticContact CE1-ND1 3.61Å; H542-H616 AromaticContact NE2-CE1 3.95Å; V584-H616 HydrophobicContact CG2-CB 3.86Å; V584-H616 WeakPolarHBondContact CG2-CD2 3.42Å; R612-H616 PolarHBondContact O-N 3.06Å; R612-H616 VanDerWaalsContact O-N 3.12Å; L613-H616 WeakPolarHBondContact O-CB 3.22Å; L613-H616 PolarHBondContact O-N 2.83Å; L613-H616 VanDerWaalsContact O-N 3.1Å; H616-Q618 WeakPolarHBondContact O-CG 3.35Å; H616-Q618 PolarHBondContact O-N 3.2Å
617	E	81.3	Confident	86.9	Confident	50 Å²	50	22 Å²	22	23%	0.234	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-1	178.5	-62.5	-49.9	110.4	0	0	113.6	V539 H542 L613 V619	V539-E617 HydrophobicContact CG2-CB 4.07Å; V539-E617 HydrophobicContact CG2-CG 4.18Å; H542-E617 HydrophobicContact CB-CG 4.5Å; H542-E617 IonicContact CD2-OE1 2.77Å; H542-E617 IonicContact CE1-OE1 3.45Å; H542-E617 IonicContact CG-OE1 3.73Å; H542-E617 IonicContact ND1-OE1 3.18Å; H542-E617 PolarHBondContact ND1-OE1 3Å; H542-E617 IonicContact NE2-OE1 2.77Å; L613-E617 HydrophobicContact CD1-CG 3.82Å; L613-E617 HydrophobicContact CG-CG 4.29Å; L613-E617 PolarHBondContact O-N 3.5Å; E617-V619 VanDerWaalsContact C-N 3.32Å; E617-V619 HydrophobicContact CB-CG2 3.97Å; E617-V619 WeakPolarHBondContact O-CG2 3.32Å; E617-V619 PolarHBondContact O-N 3.4Å
618	Q	85.2	Confident	86.5	Confident	136 Å²	136	23 Å²	23	64%	0.636	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	34	178.3	-57.2	-144.4	18.9	0	0	114.1	L614 H615 H616 R756	L614-Q618 PolarHBondContact O-N 2.94Å; H615-Q618 PolarHBondContact O-N 3.1Å; H616-Q618 WeakPolarHBondContact O-CG 3.35Å; H616-Q618 PolarHBondContact O-N 3.2Å; Q618-R756 VanDerWaalsContact CA-CZ 3.46Å; Q618-R756 VanDerWaalsContact CG-NH2 3.31Å; Q618-R756 PolarHBondContact O-NH1 2.91Å
619	V	83.6	Confident	86.3	Confident	15 Å²	15	23 Å²	23	9%	0.091	11%	0.114	C	C	.	.			trans	-110.4	157.2	-177.7	-164.9	0	0	0	0	111.4	V539 L614 E617 F835	V539-V619 HydrophobicContact CG2-CG2 3.98Å; L614-V619 HydrophobicContact CD2-CB 4.04Å; L614-V619 HydrophobicContact CD2-CG1 4.41Å; L614-V619 PolarHBondContact O-N 3.34Å; E617-V619 VanDerWaalsContact C-N 3.32Å; E617-V619 HydrophobicContact CB-CG2 3.97Å; E617-V619 WeakPolarHBondContact O-CG2 3.32Å; E617-V619 PolarHBondContact O-N 3.4Å; V619-F835 HydrophobicContact CG1-CD1 3.62Å; V619-F835 HydrophobicContact CG1-CE1 3.66Å
620	N	90.4	Very high	86.3	Confident	19 Å²	19	22.6 Å²	22.6	10%	0.102	12%	0.116	C	C	.	.			trans	-102.7	150	177.1	-68.6	-23.7	0	0	0	109.8	R756 R757 V779	N620-R756 VanDerWaalsContact OD1-CA 3.22Å; N620-R756 WeakPolarHBondContact OD1-CA 3.45Å; N620-R756 WeakPolarHBondContact OD1-CD 3.39Å; N620-R757 WeakPolarHBondContact CA-O 3.29Å; N620-R757 HydrophobicContact CB-CB 4.33Å; N620-R757 VanDerWaalsContact CB-O 3.27Å; N620-R757 WeakPolarHBondContact CB-O 3.35Å; N620-R757 VanDerWaalsContact CG-N 3.31Å; N620-R757 PolarHBondContact OD1-N 3.36Å; N620-V779 VanDerWaalsContact C-CG1 3.48Å; N620-V779 HydrophobicContact CB-CG1 3.48Å; N620-V779 VanDerWaalsContact CB-CG1 3.48Å; N620-V779 VanDerWaalsContact CB-O 3.23Å; N620-V779 WeakPolarHBondContact CB-O 3.46Å; N620-V779 PolarHBondContact ND2-O 3.21Å; N620-V779 WeakPolarHBondContact O-CG1 3.23Å
621	G	88.1	Confident	86.6	Confident	3 Å²	3	22.8 Å²	22.8	3%	0.031	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	165.7	-167.7	0	0	0	0	0	115.8	R757 L758 L759 F835	G621-R757 PolarHBondContact N-O 3.35Å; G621-R757 VanDerWaalsContact N-O 3.16Å; G621-L758 WeakPolarHBondContact O-CA 3.41Å; G621-L759 PolarHBondContact O-N 3.01Å; G621-F835 CarbonylContact C-O 3.54Å
622	I	90.5	Very high	86.7	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	110.6	173	-49.7	179.2	0	0	0	108	W610 A624 L759 T761 L775 V779 F835 C836 L837	W610-I622 WeakPolarHBondContact CH2-O 3.31Å; I622-A624 HydrophobicContact CG2-CB 4.13Å; I622-A624 PolarHBondContact O-N 3Å; I622-L759 CarbonylContact C-O 3.38Å; I622-L759 WeakPolarHBondContact CA-O 3.3Å; I622-L759 HydrophobicContact CB-CB 4.46Å; I622-L759 HydrophobicContact CG1-CB 4.25Å; I622-L759 HydrophobicContact CG1-CD1 4.33Å; I622-L759 HydrophobicContact CG2-CB 4.18Å; I622-T761 HydrophobicContact CG2-CG2 4.01Å; I622-L775 HydrophobicContact CD1-CB 4.31Å; I622-V779 HydrophobicContact CD1-CG2 4.16Å; I622-V779 HydrophobicContact CG1-CG2 3.8Å; I622-F835 PolarHBondContact N-O 3.4Å; I622-C836 HydrophobicContact CB-CB 4.46Å; I622-C836 WeakPolarHBondContact O-CA 3.32Å; I622-L837 PolarHBondContact O-N 3.14Å
623	L	92	Very high	87	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	96.2	167.2	-172.7	63.2	0	0	0	107.9	W610 K631 Q634 L758 L759 L760 T761 L837	W610-L623 HydrophobicContact CZ3-CD1 4.39Å; L623-K631 HydrophobicContact CD2-CB 4.14Å; L623-K631 HydrophobicContact CD2-CG 3.99Å; L623-K631 HydrophobicContact CG-CD 4.4Å; L623-K631 HydrophobicContact CG-CG 4.11Å; L623-K631 WeakPolarHBondContact O-CD 3.47Å; L623-Q634 HydrophobicContact CD2-CB 3.98Å; L623-L758 HydrophobicContact CB-CD1 4.4Å; L623-L759 PolarHBondContact N-O 2.91Å; L623-L760 HydrophobicContact CB-CD2 3.8Å; L623-L760 HydrophobicContact CD2-CD2 4.13Å; L623-T761 PolarHBondContact O-N 3.42Å; L623-T761 VanDerWaalsContact O-N 3.14Å; L623-L837 HydrophobicContact CD1-CB 4.2Å; L623-L837 HydrophobicContact CD1-CD2 3.95Å; L623-L837 HydrophobicContact CD1-CG 4.23Å
624	A	89	Confident	87.4	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.			trans	-98.2	9.2	-171.5	0	0	0	0	0	113.8	I622 T761 P764 C836 L837 R838	I622-A624 HydrophobicContact CG2-CB 4.13Å; I622-A624 PolarHBondContact O-N 3Å; A624-T761 CarbonylContact C-O 3.6Å; A624-T761 WeakPolarHBondContact CA-O 3.37Å; A624-T761 HydrophobicContact CB-CG2 4.37Å; A624-P764 HydrophobicContact CB-CB 4.14Å; A624-P764 HydrophobicContact CB-CG 4.16Å; A624-C836 VanDerWaalsContact CB-SG 3.58Å; A624-L837 CarbonylContact C-O 3.44Å; A624-L837 WeakPolarHBondContact CA-O 3.42Å; A624-L837 PolarHBondContact N-O 2.88Å; A624-R838 HydrophobicContact CB-CB 4.24Å; A624-R838 WeakPolarHBondContact O-CD 3.47Å; A624-R838 PolarHBondContact O-NH1 3.14Å
625	D	88.7	Confident	87.8	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.			trans	-34.8	145.2	171.8	-80.5	-10.8	0	0	0	113.3	L629 K631 Q634 L837 R839	D625-L629 HydrophobicContact CB-CB 4.2Å; D625-L629 HydrophobicContact CB-CD1 4.05Å; D625-K631 HydrophobicContact CB-CD 4Å; D625-K631 HydrophobicContact CB-CG 3.71Å; D625-K631 PolarHBondContact O-NZ 3.21Å; D625-Q634 PolarHBondContact OD2-NE2 3.28Å; D625-L837 PolarHBondContact N-O 2.87Å; D625-R839 VanDerWaalsContact CG-NH2 3.27Å; D625-R839 IonicContact OD1-CZ 3.17Å; D625-R839 IonicContact OD1-NE 2.68Å; D625-R839 PolarHBondContact OD1-NE 3.33Å; D625-R839 IonicContact OD1-NH2 3.36Å; D625-R839 PolarHBondContact OD1-NH2 2.64Å; D625-R839 IonicContact OD2-CZ 3.8Å; D625-R839 IonicContact OD2-NE 2.66Å; D625-R839 IonicContact OD2-NH2 4Å; D625-R839 PolarHBondContact OD2-NH2 3.1Å
626	E	84.6	Confident	88.1	Confident	26 Å²	26	19.9 Å²	19.9	12%	0.121	11%	0.107	C	C	.	.			trans	-55.5	161	173.5	-162.3	173.9	162.9	0	0	112.8	L629 K631 R839 L840 K841	E626-L629 HydrophobicContact CB-CD1 3.93Å; E626-L629 HydrophobicContact CB-CG 4.18Å; E626-L629 PolarHBondContact O-N 2.79Å; E626-K631 PolarHBondContact O-NZ 3.45Å; E626-K631 VanDerWaalsContact O-NZ 3.11Å; E626-R839 PolarHBondContact N-O 3.04Å; E626-L840 WeakPolarHBondContact OE2-CA 3.47Å; E626-L840 WeakPolarHBondContact OE2-CB 3.44Å; E626-K841 HydrophobicContact CB-CG 4.45Å; E626-K841 HydrophobicContact CG-CD 4.48Å; E626-K841 HydrophobicContact CG-CG 4.25Å; E626-K841 WeakPolarHBondContact OE1-CD 3.09Å; E626-K841 PolarHBondContact OE2-N 2.63Å
627	M	84.2	Confident	88.6	Confident	11 Å²	11	16.7 Å²	16.7	5%	0.054	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	142.2	178.4	-62.9	-174.3	67.8	0	0	110.7	L629 K841 Q1123 D1126	M627-L629 VanDerWaalsContact C-N 3.33Å; M627-L629 PolarHBondContact O-N 3.44Å; M627-K841 WeakPolarHBondContact O-CE 3.02Å; M627-Q1123 HydrophobicContact CE-CB 3.76Å; M627-Q1123 HydrophobicContact CE-CG 3.64Å; M627-Q1123 VanDerWaalsContact CE-OE1 3.32Å; M627-Q1123 HydrophobicContact SD-CB 4.1Å; M627-Q1123 HydrophobicContact SD-CG 3.6Å; M627-D1126 HydrophobicContact CB-CB 4.03Å
628	G	80.1	Confident	89.2	Confident	19 Å²	19	14.4 Å²	14.4	20%	0.196	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-15.5	-176.7	0	0	0	0	0	116.8	G630	G628-G630 PolarHBondContact O-N 2.8Å
629	L	84.4	Confident	89.6	Confident	1 Å²	1	8 Å²	8	1%	0.005	5%	0.052	C	C	.	.	S	Bend	trans	-68.3	1.4	-178.6	-66.2	-171.9	0	0	0	116	Y603 Q604 D625 E626 M627 R839 K841 V844 L845	Y603-L629 HydrophobicContact CE2-CB 4.13Å; Y603-L629 VanDerWaalsContact CE2-O 3.31Å; Y603-L629 WeakPolarHBondContact CE2-O 3.43Å; Y603-L629 PolarHBondContact OH-O 3.29Å; Q604-L629 PolarHBondContact NE2-O 3Å; D625-L629 HydrophobicContact CB-CB 4.2Å; D625-L629 HydrophobicContact CB-CD1 4.05Å; E626-L629 HydrophobicContact CB-CD1 3.93Å; E626-L629 HydrophobicContact CB-CG 4.18Å; E626-L629 PolarHBondContact O-N 2.79Å; M627-L629 VanDerWaalsContact C-N 3.33Å; M627-L629 PolarHBondContact O-N 3.44Å; L629-R839 HydrophobicContact CD1-CB 4.4Å; L629-R839 WeakPolarHBondContact CD1-O 3.29Å; L629-K841 HydrophobicContact CD2-CG 3.97Å; L629-V844 HydrophobicContact CD1-CG2 3.96Å; L629-V844 HydrophobicContact CD2-CG2 3.76Å; L629-L845 HydrophobicContact CD2-CD1 3.47Å; L629-L845 VanDerWaalsContact CD2-CD1 3.47Å; L629-L845 HydrophobicContact CD2-CG 4.19Å
630	G	86.6	Confident	90	Very high	16 Å²	16	7.3 Å²	7.3	17%	0.165	5%	0.047	C	C	.	.			trans	80.4	40.6	176.9	0	0	0	0	0	114.8	G628 T632 V633 Q634	G628-G630 PolarHBondContact O-N 2.8Å; G630-T632 VanDerWaalsContact C-N 3.25Å; G630-T632 PolarHBondContact O-N 2.84Å; G630-V633 PolarHBondContact O-N 3.1Å; G630-V633 VanDerWaalsContact O-N 3.16Å; G630-Q634 PolarHBondContact O-N 2.91Å; G630-Q634 VanDerWaalsContact O-N 3.11Å
631	K	91.4	Very high	90	Very high	16 Å²	16	6.5 Å²	6.5	7%	0.07	4%	0.043	C	C	.	.	H	α-helix	trans	-52.9	-41.7	172.8	-72.9	-172.7	-74.3	-81.3	0	112.9	L623 D625 E626 V633 Q634 A635 L760 T761	L623-K631 HydrophobicContact CD2-CB 4.14Å; L623-K631 HydrophobicContact CD2-CG 3.99Å; L623-K631 HydrophobicContact CG-CD 4.4Å; L623-K631 HydrophobicContact CG-CG 4.11Å; L623-K631 WeakPolarHBondContact O-CD 3.47Å; D625-K631 HydrophobicContact CB-CD 4Å; D625-K631 HydrophobicContact CB-CG 3.71Å; D625-K631 PolarHBondContact O-NZ 3.21Å; E626-K631 PolarHBondContact O-NZ 3.45Å; E626-K631 VanDerWaalsContact O-NZ 3.11Å; K631-V633 PolarHBondContact O-N 2.77Å; K631-Q634 PolarHBondContact O-N 3.19Å; K631-A635 WeakPolarHBondContact O-CB 3.33Å; K631-A635 PolarHBondContact O-N 2.92Å; K631-L760 HydrophobicContact CD-CB 4.34Å; K631-T761 VanDerWaalsContact CE-C 3.45Å; K631-T761 WeakPolarHBondContact CE-O 3.3Å; K631-T761 PolarHBondContact NZ-O 3.3Å
632	T	92.8	Very high	90.1	Very high	24 Å²	24	6.4 Å²	6.4	15%	0.147	4%	0.042	C	C	.	.	H	α-helix	trans	-55	-50.2	175	-47.8	0	0	0	0	111.6	G630 Q634 A635 I636 W663 E666	G630-T632 VanDerWaalsContact C-N 3.25Å; G630-T632 PolarHBondContact O-N 2.84Å; T632-Q634 PolarHBondContact O-N 3.14Å; T632-A635 WeakPolarHBondContact O-CB 3.31Å; T632-A635 PolarHBondContact O-N 2.71Å; T632-I636 HydrophobicContact CG2-CD1 4.04Å; T632-I636 VanDerWaalsContact O-CG1 3.31Å; T632-I636 WeakPolarHBondContact O-CG1 3.4Å; T632-I636 PolarHBondContact O-N 2.73Å; T632-W663 HydrophobicContact CG2-CD2 3.87Å; T632-W663 HydrophobicContact CG2-CE3 3.82Å; T632-W663 HydrophobicContact CG2-CH2 3.89Å; T632-W663 HydrophobicContact CG2-CZ2 3.9Å; T632-W663 HydrophobicContact CG2-CZ3 3.84Å; T632-E666 HydrophobicContact CG2-CB 4.17Å; T632-E666 HydrophobicContact CG2-CG 4.27Å
633	V	92.1	Very high	90.1	Very high	12 Å²	12	9.8 Å²	9.8	7%	0.073	6%	0.055	C	C	.	.	H	α-helix	trans	-63	-44.2	179.9	-178.1	0	0	0	0	111.3	L600 G630 K631 A635 I636 A637 W670	L600-V633 HydrophobicContact CD2-CG1 3.51Å; G630-V633 PolarHBondContact O-N 3.1Å; G630-V633 VanDerWaalsContact O-N 3.16Å; K631-V633 PolarHBondContact O-N 2.77Å; V633-A635 VanDerWaalsContact C-N 3.31Å; V633-A635 PolarHBondContact O-N 3.41Å; V633-I636 PolarHBondContact O-N 3.07Å; V633-A637 WeakPolarHBondContact O-CB 3.45Å; V633-A637 PolarHBondContact O-N 2.88Å; V633-W670 HydrophobicContact CB-CZ2 4.37Å; V633-W670 HydrophobicContact CG1-CD2 3.95Å; V633-W670 HydrophobicContact CG1-CE3 4.11Å; V633-W670 HydrophobicContact CG1-CH2 3.68Å; V633-W670 HydrophobicContact CG1-CZ2 3.5Å; V633-W670 VanDerWaalsContact CG1-CZ2 3.5Å; V633-W670 HydrophobicContact CG1-CZ3 3.97Å; V633-W670 HydrophobicContact CG2-CZ2 3.89Å
634	Q	92.5	Very high	89.9	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62	-37.5	175.7	-70.6	174.9	77.6	0	0	112.6	Q604 L623 D625 G630 K631 T632 F638	Q604-Q634 HydrophobicContact CB-CG 3.73Å; Q604-Q634 HydrophobicContact CG-CG 3.99Å; L623-Q634 HydrophobicContact CD2-CB 3.98Å; D625-Q634 PolarHBondContact OD2-NE2 3.28Å; G630-Q634 PolarHBondContact O-N 2.91Å; G630-Q634 VanDerWaalsContact O-N 3.11Å; K631-Q634 PolarHBondContact O-N 3.19Å; T632-Q634 PolarHBondContact O-N 3.14Å; Q634-F638 WeakPolarHBondContact O-CB 3.38Å; Q634-F638 PolarHBondContact O-N 2.74Å
635	A	95	Very high	89.7	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-69.6	-37.9	176.1	0	0	0	0	0	112.4	K631 T632 V633 F638 L639 W663 I731 L760	K631-A635 WeakPolarHBondContact O-CB 3.33Å; K631-A635 PolarHBondContact O-N 2.92Å; T632-A635 WeakPolarHBondContact O-CB 3.31Å; T632-A635 PolarHBondContact O-N 2.71Å; V633-A635 VanDerWaalsContact C-N 3.31Å; V633-A635 PolarHBondContact O-N 3.41Å; A635-F638 PolarHBondContact O-N 3.02Å; A635-L639 WeakPolarHBondContact O-CG 3.45Å; A635-L639 PolarHBondContact O-N 3.32Å; A635-W663 HydrophobicContact CB-CH2 3.91Å; A635-W663 HydrophobicContact CB-CZ3 4.43Å; A635-I731 HydrophobicContact CB-CD1 4.27Å; A635-L760 HydrophobicContact CB-CD1 3.97Å; A635-L760 HydrophobicContact CB-CD2 4.38Å
636	I	94.8	Very high	89.4	Confident	1 Å²	1	19.2 Å²	19.2	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-66.8	-46.6	173.5	-65.3	166.8	0	0	0	110.4	L594 T632 V633 F638 L639 A640 W663 E666 L667 W670 C671	L594-I636 HydrophobicContact CD2-CG2 4.25Å; T632-I636 HydrophobicContact CG2-CD1 4.04Å; T632-I636 VanDerWaalsContact O-CG1 3.31Å; T632-I636 WeakPolarHBondContact O-CG1 3.4Å; T632-I636 PolarHBondContact O-N 2.73Å; V633-I636 PolarHBondContact O-N 3.07Å; I636-F638 PolarHBondContact O-N 2.87Å; I636-L639 PolarHBondContact O-N 2.83Å; I636-L639 VanDerWaalsContact O-N 3.12Å; I636-A640 WeakPolarHBondContact O-CB 3.35Å; I636-A640 PolarHBondContact O-N 3.35Å; I636-W663 HydrophobicContact CG1-CZ3 4.16Å; I636-E666 HydrophobicContact CD1-CB 3.7Å; I636-L667 HydrophobicContact CD1-CD2 4.22Å; I636-L667 HydrophobicContact CD1-CG 4.15Å; I636-L667 HydrophobicContact CG1-CD2 3.81Å; I636-L667 HydrophobicContact CG1-CG 4.24Å; I636-L667 HydrophobicContact CG2-CD2 4.29Å; I636-W670 HydrophobicContact CG2-CB 3.98Å; I636-C671 HydrophobicContact CG2-CB 4Å
637	A	92.8	Very high	89.4	Confident	1 Å²	1	18 Å²	18	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-60	-33.9	175.6	0	0	0	0	0	112.7	L594 L600 L608 V633 A640 S641	L594-A637 HydrophobicContact CD1-CB 3.79Å; L600-A637 HydrophobicContact CD1-CB 3.83Å; L600-A637 HydrophobicContact CD2-CB 4.15Å; L608-A637 HydrophobicContact CD1-CB 4.37Å; L608-A637 WeakPolarHBondContact CD1-O 3.49Å; L608-A637 HydrophobicContact CD2-CB 4.33Å; V633-A637 WeakPolarHBondContact O-CB 3.45Å; V633-A637 PolarHBondContact O-N 2.88Å; A637-A640 WeakPolarHBondContact O-CB 3.42Å; A637-S641 PolarHBondContact O-N 3.18Å
638	F	94.1	Very high	89.5	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.009	13%	0.131	C	C	.	.	H	α-helix	trans	-66.5	-48.4	172.3	175.8	-114.2	0	0	0	112	L608 L611 R612 H615 Q634 A635 I636 A640 S641 L642 Y729 L758	L608-F638 VanDerWaalsContact CD1-CA 3.45Å; L608-F638 HydrophobicContact CD1-CB 4Å; L608-F638 HydrophobicContact CD1-CD2 4.4Å; L611-F638 HydrophobicContact CB-CB 4.34Å; L611-F638 HydrophobicContact CB-CD2 3.49Å; L611-F638 VanDerWaalsContact CB-CD2 3.49Å; L611-F638 HydrophobicContact CB-CE2 3.87Å; L611-F638 HydrophobicContact CB-CG 3.87Å; L611-F638 HydrophobicContact CD1-CB 3.8Å; L611-F638 HydrophobicContact CD1-CD2 4.49Å; L611-F638 HydrophobicContact CD1-CG 4.03Å; L611-F638 WeakPolarHBondContact O-CE2 3.47Å; R612-F638 HydrophobicContact CG-CD2 4.21Å; R612-F638 HydrophobicContact CG-CE2 4.36Å; H615-F638 HydrophobicContact CB-CE2 4.13Å; H615-F638 HydrophobicContact CB-CZ 4.09Å; Q634-F638 WeakPolarHBondContact O-CB 3.38Å; Q634-F638 PolarHBondContact O-N 2.74Å; A635-F638 PolarHBondContact O-N 3.02Å; I636-F638 PolarHBondContact O-N 2.87Å; F638-A640 VanDerWaalsContact C-N 3.29Å; F638-A640 PolarHBondContact O-N 2.97Å; F638-S641 PolarHBondContact O-N 3.05Å; F638-S641 PolarHBondContact O-OG 3.33Å; F638-L642 HydrophobicContact CD1-CD1 4.21Å; F638-L642 HydrophobicContact CD2-CG 4.45Å; F638-L642 HydrophobicContact CE1-CD1 3.61Å; F638-L642 HydrophobicContact CE1-CG 4.24Å; F638-L642 HydrophobicContact CE2-CD1 4.27Å; F638-L642 HydrophobicContact CE2-CD2 4.03Å; F638-L642 HydrophobicContact CE2-CG 4.04Å; F638-L642 HydrophobicContact CZ-CD1 3.65Å; F638-L642 HydrophobicContact CZ-CD2 4Å; F638-L642 HydrophobicContact CZ-CG 3.92Å; F638-L642 WeakPolarHBondContact O-CG 3.39Å; F638-L642 PolarHBondContact O-N 3.03Å; F638-Y729 AromaticContact CE1-CD1 3.89Å; F638-Y729 HydrophobicContact CE1-CD1 3.89Å; F638-Y729 HydrophobicContact CE1-CD2 4.44Å; F638-Y729 AromaticContact CE1-CE1 3.53Å; F638-Y729 HydrophobicContact CE1-CE1 3.53Å; F638-Y729 HydrophobicContact CE1-CE2 4.13Å; F638-Y729 HydrophobicContact CE1-CG 4.34Å; F638-Y729 AromaticContact CE1-CZ 3.68Å; F638-Y729 AromaticContact CZ-CE1 3.81Å; F638-Y729 HydrophobicContact CZ-CE1 3.81Å; F638-Y729 HydrophobicContact CZ-CE2 4.01Å; F638-Y729 AromaticContact CZ-CZ 3.52Å; F638-L758 HydrophobicContact CD1-CD2 4.42Å
639	L	94.1	Very high	89.7	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-60.9	-36.4	174.6	-67.6	-177.5	0	0	0	112.8	A635 I636 L642 W643 H651 I653 I704 I731	A635-L639 WeakPolarHBondContact O-CG 3.45Å; A635-L639 PolarHBondContact O-N 3.32Å; I636-L639 PolarHBondContact O-N 2.83Å; I636-L639 VanDerWaalsContact O-N 3.12Å; L639-L642 HydrophobicContact CD2-CD1 4.22Å; L639-L642 PolarHBondContact O-N 3.19Å; L639-W643 PolarHBondContact O-N 3.16Å; L639-H651 HydrophobicContact CD2-CB 4.21Å; L639-I653 HydrophobicContact CD1-CD1 4.06Å; L639-I704 HydrophobicContact CD1-CD1 3.62Å; L639-I704 HydrophobicContact CD1-CG1 4.13Å; L639-I731 HydrophobicContact CD1-CD1 3.83Å; L639-I731 HydrophobicContact CD2-CD1 4.03Å; L639-I731 HydrophobicContact CG-CD1 3.91Å
640	A	92.4	Very high	90	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.8	-52.6	170.8	0	0	0	0	0	111.7	P591 I593 L594 I636 A637 F638 L642 W643 E644	P591-A640 HydrophobicContact CB-CB 4.17Å; I593-A640 HydrophobicContact CG2-CB 3.42Å; I593-A640 VanDerWaalsContact CG2-CB 3.42Å; L594-A640 HydrophobicContact CD1-CB 4.43Å; L594-A640 HydrophobicContact CD2-CB 3.73Å; L594-A640 HydrophobicContact CG-CB 3.83Å; I636-A640 WeakPolarHBondContact O-CB 3.35Å; I636-A640 PolarHBondContact O-N 3.35Å; A637-A640 WeakPolarHBondContact O-CB 3.42Å; F638-A640 VanDerWaalsContact C-N 3.29Å; F638-A640 PolarHBondContact O-N 2.97Å; A640-L642 PolarHBondContact O-N 3.33Å; A640-W643 WeakPolarHBondContact O-CB 3.48Å; A640-W643 PolarHBondContact O-N 3.42Å; A640-E644 PolarHBondContact O-N 2.76Å
641	S	89.8	Confident	90.4	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.014	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-29.2	177.6	75.6	0	0	0	0	113.6	R612 A637 F638 S645	R612-S641 WeakPolarHBondContact CD-OG 3.39Å; A637-S641 PolarHBondContact O-N 3.18Å; F638-S641 PolarHBondContact O-N 3.05Å; F638-S641 PolarHBondContact O-OG 3.33Å; S641-S645 VanDerWaalsContact O-CB 3.3Å; S641-S645 WeakPolarHBondContact O-CB 3.39Å; S641-S645 PolarHBondContact O-N 3.35Å; S641-S645 VanDerWaalsContact O-N 3.07Å; S641-S645 PolarHBondContact O-OG 3.45Å
642	L	91	Very high	90.6	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-68.9	-44.3	171.8	-72	-175.8	0	0	0	111.2	H615 F638 L639 A640 E644 S645 N647 Y729	H615-L642 HydrophobicContact CB-CD2 4.46Å; H615-L642 WeakPolarHBondContact ND1-CD2 3.39Å; F638-L642 HydrophobicContact CD1-CD1 4.21Å; F638-L642 HydrophobicContact CD2-CG 4.45Å; F638-L642 HydrophobicContact CE1-CD1 3.61Å; F638-L642 HydrophobicContact CE1-CG 4.24Å; F638-L642 HydrophobicContact CE2-CD1 4.27Å; F638-L642 HydrophobicContact CE2-CD2 4.03Å; F638-L642 HydrophobicContact CE2-CG 4.04Å; F638-L642 HydrophobicContact CZ-CD1 3.65Å; F638-L642 HydrophobicContact CZ-CD2 4Å; F638-L642 HydrophobicContact CZ-CG 3.92Å; F638-L642 WeakPolarHBondContact O-CG 3.39Å; F638-L642 PolarHBondContact O-N 3.03Å; L639-L642 HydrophobicContact CD2-CD1 4.22Å; L639-L642 PolarHBondContact O-N 3.19Å; A640-L642 PolarHBondContact O-N 3.33Å; L642-E644 VanDerWaalsContact C-N 3.32Å; L642-E644 PolarHBondContact O-N 3.28Å; L642-S645 CarbonylContact O-C 3.53Å; L642-S645 WeakPolarHBondContact O-CA 3.49Å; L642-S645 PolarHBondContact O-N 3.11Å; L642-S645 VanDerWaalsContact O-N 3.14Å; L642-N647 CarbonylContact C-O 3.54Å; L642-N647 HydrophobicContact CB-CB 4.11Å; L642-N647 WeakPolarHBondContact O-CA 3.42Å; L642-N647 VanDerWaalsContact O-CB 3.27Å; L642-N647 WeakPolarHBondContact O-CB 3.5Å; L642-N647 PolarHBondContact O-N 3.21Å; L642-Y729 HydrophobicContact CD1-CD2 3.63Å; L642-Y729 HydrophobicContact CD1-CE2 3.68Å; L642-Y729 HydrophobicContact CD1-CG 4.39Å
643	W	90.5	Very high	90.8	Very high	72 Å²	72	21.2 Å²	21.2	27%	0.273	12%	0.123	S	C	.	.	H	α-helix	trans	-56.7	-47.4	176.8	-172.1	108.3	0	0	0	110.8	I593 L639 A640 S645 G646 N647 R648 L674	I593-W643 HydrophobicContact CD1-CB 4.29Å; I593-W643 HydrophobicContact CD1-CD2 3.33Å; I593-W643 HydrophobicContact CD1-CE3 3.44Å; I593-W643 VanDerWaalsContact CD1-CE3 3.44Å; I593-W643 HydrophobicContact CD1-CG 3.75Å; I593-W643 HydrophobicContact CD1-CH2 4.18Å; I593-W643 HydrophobicContact CD1-CZ2 4.1Å; I593-W643 HydrophobicContact CD1-CZ3 3.86Å; I593-W643 HydrophobicContact CG1-CE3 4.5Å; L639-W643 PolarHBondContact O-N 3.16Å; A640-W643 WeakPolarHBondContact O-CB 3.48Å; A640-W643 PolarHBondContact O-N 3.42Å; W643-S645 PolarHBondContact O-N 2.7Å; W643-G646 PolarHBondContact O-N 3.4Å; W643-N647 PolarHBondContact N-O 3.44Å; W643-R648 VanDerWaalsContact CG-CD 3.48Å; W643-R648 PolarHBondContact O-NE 3.19Å; W643-R648 PolarHBondContact O-NH1 3.49Å; W643-R648 PolarHBondContact O-NH2 2.69Å; W643-L674 HydrophobicContact CB-CD2 4.29Å; W643-L674 HydrophobicContact CG-CD2 4.06Å
644	E	87.2	Confident	91	Very high	76 Å²	76	20.7 Å²	20.7	36%	0.355	12%	0.12	S	C	.	.	H	α-helix	trans	-58.5	-46.6	174.6	-68.4	166.6	170.1	0	0	111.4	P591 A592 I593 A640 L642 G646	P591-E644 WeakPolarHBondContact CA-OE1 3.34Å; P591-E644 WeakPolarHBondContact CB-OE1 3.26Å; P591-E644 WeakPolarHBondContact CB-OE2 3.28Å; A592-E644 PolarHBondContact N-OE1 2.9Å; I593-E644 HydrophobicContact CB-CG 4.42Å; I593-E644 HydrophobicContact CG2-CG 4.1Å; I593-E644 WeakPolarHBondContact CG2-OE1 3.49Å; I593-E644 PolarHBondContact N-OE1 3.32Å; A640-E644 PolarHBondContact O-N 2.76Å; L642-E644 VanDerWaalsContact C-N 3.32Å; L642-E644 PolarHBondContact O-N 3.28Å; E644-G646 PolarHBondContact O-N 3.04Å
645	S	84.5	Confident	91	Very high	71 Å²	71	20.7 Å²	20.7	50%	0.497	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	27.3	177	-52.3	0	0	0	0	114.5	S641 L642 W643 N647	S641-S645 VanDerWaalsContact O-CB 3.3Å; S641-S645 WeakPolarHBondContact O-CB 3.39Å; S641-S645 PolarHBondContact O-N 3.35Å; S641-S645 VanDerWaalsContact O-N 3.07Å; S641-S645 PolarHBondContact O-OG 3.45Å; L642-S645 CarbonylContact O-C 3.53Å; L642-S645 WeakPolarHBondContact O-CA 3.49Å; L642-S645 PolarHBondContact O-N 3.11Å; L642-S645 VanDerWaalsContact O-N 3.14Å; W643-S645 PolarHBondContact O-N 2.7Å; S645-N647 PolarHBondContact O-N 3.37Å; S645-N647 VanDerWaalsContact O-N 3.14Å
646	G	83.2	Confident	90.6	Very high	51 Å²	51	21 Å²	21	53%	0.526	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-15.3	179.3	0	0	0	0	0	115.5	W643 E644 R648	W643-G646 PolarHBondContact O-N 3.4Å; E644-G646 PolarHBondContact O-N 3.04Å; G646-R648 PolarHBondContact O-N 2.97Å; G646-R648 VanDerWaalsContact O-N 3.12Å
647	N	84.4	Confident	90.1	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.143	C	C	.	.			trans	-87.2	84.1	-171.6	-179.9	14.5	0	0	0	111.7	L642 W643 S645 G649 R728	L642-N647 CarbonylContact C-O 3.54Å; L642-N647 HydrophobicContact CB-CB 4.11Å; L642-N647 WeakPolarHBondContact O-CA 3.42Å; L642-N647 VanDerWaalsContact O-CB 3.27Å; L642-N647 WeakPolarHBondContact O-CB 3.5Å; L642-N647 PolarHBondContact O-N 3.21Å; W643-N647 PolarHBondContact N-O 3.44Å; S645-N647 PolarHBondContact O-N 3.37Å; S645-N647 VanDerWaalsContact O-N 3.14Å; N647-G649 VanDerWaalsContact C-N 3.3Å; N647-G649 PolarHBondContact O-N 2.84Å; N647-R728 VanDerWaalsContact CG-NH1 3.34Å; N647-R728 VanDerWaalsContact ND2-CZ 3.33Å; N647-R728 PolarHBondContact ND2-NE 3.01Å; N647-R728 WeakPolarHBondContact OD1-CD 3.47Å; N647-R728 PolarHBondContact OD1-NE 3.27Å; N647-R728 PolarHBondContact OD1-NH1 3.19Å
648	R	85.2	Confident	89.4	Confident	105 Å²	105	26.5 Å²	26.5	40%	0.396	16%	0.16	S	C	.	.			trans	-79.4	2.8	-176.4	-58.7	-50.9	-160.5	-78	23.7	115.8	W643 G646 N703	W643-R648 VanDerWaalsContact CG-CD 3.48Å; W643-R648 PolarHBondContact O-NE 3.19Å; W643-R648 PolarHBondContact O-NH1 3.49Å; W643-R648 PolarHBondContact O-NH2 2.69Å; G646-R648 PolarHBondContact O-N 2.97Å; G646-R648 VanDerWaalsContact O-N 3.12Å; R648-N703 PolarHBondContact O-ND2 3.11Å
649	G	84.5	Confident	88.9	Confident	25 Å²	25	26.9 Å²	26.9	26%	0.258	16%	0.163	S	C	.	.			trans	103.6	-157.1	-177.9	0	0	0	0	0	114.4	N647 H651	N647-G649 VanDerWaalsContact C-N 3.3Å; N647-G649 PolarHBondContact O-N 2.84Å; G649-H651 WeakPolarHBondContact CA-NE2 3.29Å; G649-H651 PolarHBondContact N-NE2 3.38Å
650	P	92.4	Very high	88.6	Confident	21 Å²	21	27 Å²	27	14%	0.136	16%	0.163	C	C	.	.			cis	-68.7	144	-2.2	30.3	-36.9	0	0	0	112.1	P700 F702 V725 F727 R728	P650-P700 HydrophobicContact CB-CG 3.81Å; P650-P700 HydrophobicContact CG-CG 3.82Å; P650-F702 HydrophobicContact CB-CD2 4.44Å; P650-F702 HydrophobicContact CB-CE2 3.83Å; P650-V725 HydrophobicContact CG-CG1 4.1Å; P650-F727 HydrophobicContact CB-CD1 4.09Å; P650-F727 HydrophobicContact CB-CE1 4.47Å; P650-F727 HydrophobicContact CG-CD1 4.38Å; P650-F727 CarbonylContact O-C 3.56Å; P650-F727 WeakPolarHBondContact O-CA 3.38Å; P650-R728 PolarHBondContact O-N 2.9Å
651	H	95	Very high	88.2	Confident	3 Å²	3	30.9 Å²	30.9	1%	0.014	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	152.1	172.5	-52.7	-64.4	0	0	0	110.4	L639 G649 N703 I704 L705 Y729	L639-H651 HydrophobicContact CD2-CB 4.21Å; G649-H651 WeakPolarHBondContact CA-NE2 3.29Å; G649-H651 PolarHBondContact N-NE2 3.38Å; H651-N703 PolarHBondContact CD2-O 3.04Å; H651-N703 PolarHBondContact N-O 3.3Å; H651-I704 HydrophobicContact CB-CG1 4.36Å; H651-I704 CarbonylContact O-C 3.6Å; H651-I704 WeakPolarHBondContact O-CA 3.42Å; H651-L705 PolarHBondContact O-N 3.25Å; H651-Y729 CarbonylContact C-O 3.43Å; H651-Y729 WeakPolarHBondContact CA-O 3.37Å
652	L	95.5	Very high	88	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.1	177.5	178	62.1	0	0	0	109.1	I654 L705 T707 M722 F727 Y729 G730 I731 F752 V754	L652-I654 HydrophobicContact CD1-CG1 4.15Å; L652-I654 HydrophobicContact CD2-CD1 3.94Å; L652-I654 HydrophobicContact CD2-CG1 4.06Å; L652-I654 HydrophobicContact CG-CD1 4.3Å; L652-I654 HydrophobicContact CG-CG1 3.85Å; L652-L705 HydrophobicContact CD1-CB 4.4Å; L652-L705 HydrophobicContact CD1-CD2 3.78Å; L652-T707 HydrophobicContact CD1-CG2 4.24Å; L652-M722 HydrophobicContact CD1-CE 4.49Å; L652-M722 HydrophobicContact CD1-SD 4.02Å; L652-M722 HydrophobicContact CD2-SD 4.34Å; L652-F727 HydrophobicContact CB-CB 4.18Å; L652-F727 HydrophobicContact CB-CD1 3.65Å; L652-F727 HydrophobicContact CB-CD2 4.1Å; L652-F727 HydrophobicContact CB-CE1 3.93Å; L652-F727 HydrophobicContact CB-CE2 4.36Å; L652-F727 HydrophobicContact CB-CG 3.72Å; L652-F727 HydrophobicContact CB-CZ 4.27Å; L652-F727 HydrophobicContact CD1-CE1 4.34Å; L652-F727 HydrophobicContact CD1-CE2 4.46Å; L652-F727 HydrophobicContact CD1-CZ 4.11Å; L652-F727 HydrophobicContact CD2-CD2 4Å; L652-F727 HydrophobicContact CD2-CE2 3.98Å; L652-F727 HydrophobicContact CD2-CG 4.46Å; L652-F727 HydrophobicContact CD2-CZ 4.43Å; L652-Y729 PolarHBondContact N-O 2.86Å; L652-G730 CarbonylContact O-C 3.58Å; L652-G730 WeakPolarHBondContact O-CA 3.43Å; L652-I731 PolarHBondContact O-N 2.69Å; L652-F752 HydrophobicContact CD2-CD2 3.81Å; L652-F752 HydrophobicContact CD2-CE2 4.29Å; L652-V754 HydrophobicContact CD2-CG2 4.3Å
653	I	96.8	Very high	88	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122	168.6	-57.2	178.2	0	0	0	107.6	L639 W663 L667 I704 L705 L706 T707 I731	L639-I653 HydrophobicContact CD1-CD1 4.06Å; I653-W663 HydrophobicContact CD1-CE3 3.98Å; I653-W663 HydrophobicContact CD1-CZ3 3.96Å; I653-W663 HydrophobicContact CG2-CD2 4.06Å; I653-W663 HydrophobicContact CG2-CE3 4.03Å; I653-W663 HydrophobicContact CG2-CZ3 4.25Å; I653-L667 HydrophobicContact CD1-CD1 4.09Å; I653-I704 HydrophobicContact CD1-CD1 4.44Å; I653-I704 HydrophobicContact CD1-CG2 3.67Å; I653-I704 HydrophobicContact CG1-CG2 3.92Å; I653-L705 PolarHBondContact N-O 3.5Å; I653-L706 HydrophobicContact CB-CD1 3.87Å; I653-L706 HydrophobicContact CG2-CD1 3.67Å; I653-T707 PolarHBondContact O-N 3Å; I653-I731 WeakPolarHBondContact CA-O 3.4Å; I653-I731 HydrophobicContact CG1-CB 4.32Å
654	I	95.1	Very high	88.1	Confident	1 Å²	1	33 Å²	33	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.9	172.8	-44.9	-172.5	0	0	0	108.9	L652 T707 Y709 I731 F732 D733 L749 F752	L652-I654 HydrophobicContact CD1-CG1 4.15Å; L652-I654 HydrophobicContact CD2-CD1 3.94Å; L652-I654 HydrophobicContact CD2-CG1 4.06Å; L652-I654 HydrophobicContact CG-CD1 4.3Å; L652-I654 HydrophobicContact CG-CG1 3.85Å; I654-T707 WeakPolarHBondContact CA-O 3.37Å; I654-T707 HydrophobicContact CG1-CG2 4.24Å; I654-Y709 HydrophobicContact CB-CD1 4.47Å; I654-Y709 HydrophobicContact CB-CE1 4.31Å; I654-Y709 HydrophobicContact CG2-CD1 3.41Å; I654-Y709 VanDerWaalsContact CG2-CD1 3.41Å; I654-Y709 HydrophobicContact CG2-CD2 4.33Å; I654-Y709 HydrophobicContact CG2-CE1 3.7Å; I654-Y709 HydrophobicContact CG2-CG 3.77Å; I654-I731 PolarHBondContact N-O 3.16Å; I654-F732 HydrophobicContact CB-CD1 4.19Å; I654-F732 HydrophobicContact CD1-CD1 3.94Å; I654-F732 HydrophobicContact CD1-CE1 3.59Å; I654-F732 HydrophobicContact CG1-CD1 4.24Å; I654-F732 HydrophobicContact CG1-CE1 4.23Å; I654-F732 WeakPolarHBondContact O-CA 3.37Å; I654-D733 PolarHBondContact O-N 2.86Å; I654-L749 HydrophobicContact CD1-CD2 3.51Å; I654-F752 HydrophobicContact CD1-CD2 4.09Å; I654-F752 HydrophobicContact CD1-CE2 3.7Å
655	C	92.7	Very high	88.2	Confident	0 Å²	0	35 Å²	35	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	171.3	-179.2	63.7	0	0	0	0	111.7	T659 T707 S708 Y709 D733	C655-T659 WeakPolarHBondContact CB-OG1 3.32Å; C655-T707 PolarHBondContact N-O 2.86Å; C655-T707 VanDerWaalsContact N-O 3.13Å; C655-S708 VanDerWaalsContact O-CA 3.24Å; C655-S708 WeakPolarHBondContact O-CA 3.49Å; C655-Y709 WeakPolarHBondContact O-CD2 3.19Å; C655-Y709 PolarHBondContact O-N 3.39Å; C655-D733 HydrophobicContact CB-CB 4.04Å
656	P	88.1	Confident	88.5	Confident	7 Å²	7	33.7 Å²	33.7	5%	0.045	19%	0.192	C	C	.	.			trans	-55	145.3	159.5	-23.1	29.5	0	0	0	112.1	S658 T659 Q660 E734 M737	P656-S658 PolarHBondContact O-N 3.25Å; P656-T659 WeakPolarHBondContact CB-OG1 3.48Å; P656-T659 WeakPolarHBondContact CD-OG1 3.31Å; P656-T659 PolarHBondContact O-N 3.45Å; P656-T659 PolarHBondContact O-OG1 2.9Å; P656-Q660 PolarHBondContact O-N 3.39Å; P656-E734 HydrophobicContact CG-CB 3.77Å; P656-E734 HydrophobicContact CG-CG 4.09Å; P656-M737 HydrophobicContact CB-SD 4.38Å; P656-M737 HydrophobicContact CG-SD 3.89Å
657	S	83.5	Confident	89	Confident	64 Å²	64	31.3 Å²	31.3	45%	0.448	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-60.1	-32.2	178.8	-47	0	0	0	0	112.9	T659 Q660 S708	S657-T659 VanDerWaalsContact C-N 3.26Å; S657-T659 PolarHBondContact O-N 3.07Å; S657-Q660 PolarHBondContact O-N 3.12Å; S657-S708 WeakPolarHBondContact OG-CB 3.36Å
658	S	77.3	Confident	89.4	Confident	53 Å²	53	34.7 Å²	34.7	37%	0.371	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-73.8	-10.1	176.6	52.4	0	0	0	0	114.8	P656	P656-S658 PolarHBondContact O-N 3.25Å
659	T	84.5	Confident	89.6	Confident	10 Å²	10	32.7 Å²	32.7	6%	0.061	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-101.9	-7.8	174.4	42.7	0	0	0	0	113.1	C655 P656 S657 D661 S662 W663 G1100	C655-T659 WeakPolarHBondContact CB-OG1 3.32Å; P656-T659 WeakPolarHBondContact CB-OG1 3.48Å; P656-T659 WeakPolarHBondContact CD-OG1 3.31Å; P656-T659 PolarHBondContact O-N 3.45Å; P656-T659 PolarHBondContact O-OG1 2.9Å; S657-T659 VanDerWaalsContact C-N 3.26Å; S657-T659 PolarHBondContact O-N 3.07Å; T659-D661 PolarHBondContact O-N 3.28Å; T659-S662 WeakPolarHBondContact O-CB 2.97Å; T659-S662 PolarHBondContact O-N 3.16Å; T659-S662 VanDerWaalsContact O-N 3.15Å; T659-W663 PolarHBondContact O-N 3.02Å; T659-G1100 VanDerWaalsContact CG2-CA 3.44Å
660	Q	87	Confident	89.9	Confident	4 Å²	4	32.5 Å²	32.5	2%	0.019	18%	0.179	C	C	.	.	H	α-helix	trans	-63	-44.7	-169.5	-173.3	160.9	-16.9	0	0	112.3	P656 S657 S662 W663 Q664 V678 Q680 L706	P656-Q660 PolarHBondContact O-N 3.39Å; S657-Q660 PolarHBondContact O-N 3.12Å; Q660-S662 VanDerWaalsContact C-N 3.32Å; Q660-S662 PolarHBondContact O-N 3.36Å; Q660-W663 PolarHBondContact O-N 3.14Å; Q660-Q664 PolarHBondContact O-N 3.44Å; Q660-V678 HydrophobicContact CG-CG1 4.48Å; Q660-V678 VanDerWaalsContact NE2-CG1 3.29Å; Q660-Q680 VanDerWaalsContact CD-OE1 3.3Å; Q660-L706 HydrophobicContact CG-CD2 4.19Å; Q660-L706 HydrophobicContact CG-CG 4.16Å
661	D	83.8	Confident	89.8	Confident	80 Å²	80	31.6 Å²	31.6	43%	0.428	17%	0.173	S	C	.	.	H	α-helix	trans	-68.5	-31.5	177.1	-50.4	-55.7	0	0	0	112.2	T659 Q664 R665	T659-D661 PolarHBondContact O-N 3.28Å; D661-Q664 PolarHBondContact O-N 2.81Å; D661-R665 VanDerWaalsContact O-CB 3.28Å; D661-R665 WeakPolarHBondContact O-CB 3.34Å; D661-R665 PolarHBondContact O-N 2.53Å
662	S	85.7	Confident	89.5	Confident	45 Å²	45	35.3 Å²	35.3	32%	0.315	20%	0.198	S	C	.	.	H	α-helix	trans	-67.8	-39.1	172.4	-175.9	0	0	0	0	111.9	T659 Q660 E666	T659-S662 WeakPolarHBondContact O-CB 2.97Å; T659-S662 PolarHBondContact O-N 3.16Å; T659-S662 VanDerWaalsContact O-N 3.15Å; Q660-S662 VanDerWaalsContact C-N 3.32Å; Q660-S662 PolarHBondContact O-N 3.36Å; S662-E666 WeakPolarHBondContact O-CB 3.49Å; S662-E666 WeakPolarHBondContact O-CG 3.42Å; S662-E666 PolarHBondContact O-N 3.15Å
663	W	92.1	Very high	89	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-43.2	173.6	-89.3	95.6	0	0	0	111.5	T632 A635 I636 I653 T659 Q660 L667 L706 I731 D733 L760	T632-W663 HydrophobicContact CG2-CD2 3.87Å; T632-W663 HydrophobicContact CG2-CE3 3.82Å; T632-W663 HydrophobicContact CG2-CH2 3.89Å; T632-W663 HydrophobicContact CG2-CZ2 3.9Å; T632-W663 HydrophobicContact CG2-CZ3 3.84Å; A635-W663 HydrophobicContact CB-CH2 3.91Å; A635-W663 HydrophobicContact CB-CZ3 4.43Å; I636-W663 HydrophobicContact CG1-CZ3 4.16Å; I653-W663 HydrophobicContact CD1-CE3 3.98Å; I653-W663 HydrophobicContact CD1-CZ3 3.96Å; I653-W663 HydrophobicContact CG2-CD2 4.06Å; I653-W663 HydrophobicContact CG2-CE3 4.03Å; I653-W663 HydrophobicContact CG2-CZ3 4.25Å; T659-W663 PolarHBondContact O-N 3.02Å; Q660-W663 PolarHBondContact O-N 3.14Å; W663-L667 VanDerWaalsContact O-CB 3.29Å; W663-L667 WeakPolarHBondContact O-CB 3.31Å; W663-L667 WeakPolarHBondContact O-CD1 3.3Å; W663-L667 VanDerWaalsContact O-CG 3.25Å; W663-L667 WeakPolarHBondContact O-CG 3.4Å; W663-L667 PolarHBondContact O-N 3.47Å; W663-L706 HydrophobicContact CB-CD1 3.91Å; W663-L706 HydrophobicContact CB-CD2 3.95Å; W663-L706 HydrophobicContact CG-CD1 4.36Å; W663-I731 HydrophobicContact CH2-CG2 4.45Å; W663-D733 HydrophobicContact CZ2-CB 3.89Å; W663-D733 PolarHBondContact NE1-OD2 2.94Å; W663-L760 HydrophobicContact CH2-CD1 3.72Å; W663-L760 HydrophobicContact CZ2-CD1 3.66Å
664	Q	91.5	Very high	88.7	Confident	75 Å²	75	42.1 Å²	42.1	35%	0.35	23%	0.229	S	C	.	.	H	α-helix	trans	-60.8	-47.6	175.3	-177.1	176.6	-21.5	0	0	111.4	Q660 D661 L667 S668 V678 L706	Q660-Q664 PolarHBondContact O-N 3.44Å; D661-Q664 PolarHBondContact O-N 2.81Å; Q664-L667 PolarHBondContact O-N 3.39Å; Q664-S668 PolarHBondContact O-N 3.14Å; Q664-S668 PolarHBondContact O-OG 2.87Å; Q664-S668 VanDerWaalsContact O-OG 3.08Å; Q664-V678 HydrophobicContact CG-CG2 4.36Å; Q664-L706 HydrophobicContact CB-CD2 4.1Å
665	R	88.9	Confident	88.5	Confident	117 Å²	117	47 Å²	47	44%	0.442	25%	0.251	S	S	.	.	H	α-helix	trans	-60.5	-49.1	177.7	-172.3	-174.4	-69.7	-177.9	-3.4	112	D661 S668 L669	D661-R665 VanDerWaalsContact O-CB 3.28Å; D661-R665 WeakPolarHBondContact O-CB 3.34Å; D661-R665 PolarHBondContact O-N 2.53Å; R665-S668 PolarHBondContact O-N 3.36Å; R665-L669 HydrophobicContact CG-CD1 3.87Å; R665-L669 HydrophobicContact CG-CG 4.47Å; R665-L669 WeakPolarHBondContact O-CB 3.35Å; R665-L669 VanDerWaalsContact O-CG 3.25Å; R665-L669 WeakPolarHBondContact O-CG 3.45Å; R665-L669 PolarHBondContact O-N 3.07Å
666	E	91.6	Very high	88.5	Confident	43 Å²	43	48.9 Å²	48.9	20%	0.201	26%	0.262	C	S	.	.	H	α-helix	trans	-65.2	-41.1	179.1	-70.2	-67.6	120.3	0	0	111.9	T632 I636 S662 S668 L669 W670	T632-E666 HydrophobicContact CG2-CB 4.17Å; T632-E666 HydrophobicContact CG2-CG 4.27Å; I636-E666 HydrophobicContact CD1-CB 3.7Å; S662-E666 WeakPolarHBondContact O-CB 3.49Å; S662-E666 WeakPolarHBondContact O-CG 3.42Å; S662-E666 PolarHBondContact O-N 3.15Å; E666-S668 PolarHBondContact O-N 2.97Å; E666-L669 PolarHBondContact O-N 3.37Å; E666-W670 WeakPolarHBondContact O-CB 3.34Å; E666-W670 VanDerWaalsContact O-CD1 3.28Å; E666-W670 PolarHBondContact O-N 3Å; E666-W670 VanDerWaalsContact OE2-CD1 3.25Å; E666-W670 PolarHBondContact OE2-NE1 3.28Å
667	L	93.4	Very high	88.8	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-58.4	-47.5	175	-79.9	162.2	0	0	0	111.6	I636 I653 W663 Q664 C671 V676 I704	I636-L667 HydrophobicContact CD1-CD2 4.22Å; I636-L667 HydrophobicContact CD1-CG 4.15Å; I636-L667 HydrophobicContact CG1-CD2 3.81Å; I636-L667 HydrophobicContact CG1-CG 4.24Å; I636-L667 HydrophobicContact CG2-CD2 4.29Å; I653-L667 HydrophobicContact CD1-CD1 4.09Å; W663-L667 VanDerWaalsContact O-CB 3.29Å; W663-L667 WeakPolarHBondContact O-CB 3.31Å; W663-L667 WeakPolarHBondContact O-CD1 3.3Å; W663-L667 VanDerWaalsContact O-CG 3.25Å; W663-L667 WeakPolarHBondContact O-CG 3.4Å; W663-L667 PolarHBondContact O-N 3.47Å; Q664-L667 PolarHBondContact O-N 3.39Å; L667-C671 CarbonylContact O-C 3.56Å; L667-C671 PolarHBondContact O-N 3.18Å; L667-V676 HydrophobicContact CB-CG2 4.14Å; L667-V676 HydrophobicContact CD1-CG1 4.16Å; L667-V676 HydrophobicContact CD1-CG2 3.93Å; L667-V676 HydrophobicContact CD2-CG2 4.46Å; L667-V676 HydrophobicContact CG-CG2 4.41Å; L667-I704 HydrophobicContact CD2-CD1 3.69Å
668	S	92	Very high	89.2	Confident	72 Å²	72	49.2 Å²	49.2	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-65.4	-36.9	177.9	-60.2	0	0	0	0	113.2	Q664 R665 E666	Q664-S668 PolarHBondContact O-N 3.14Å; Q664-S668 PolarHBondContact O-OG 2.87Å; Q664-S668 VanDerWaalsContact O-OG 3.08Å; R665-S668 PolarHBondContact O-N 3.36Å; E666-S668 PolarHBondContact O-N 2.97Å
669	L	90.2	Very high	89.9	Confident	62 Å²	62	46.7 Å²	46.7	33%	0.325	24%	0.242	S	C	.	.	H	α-helix	trans	-76.1	-37.8	-179	-74.6	173.1	0	0	0	113.6	N595 R665 E666	N595-L669 WeakPolarHBondContact CB-O 3.32Å; N595-L669 PolarHBondContact ND2-O 3.3Å; R665-L669 HydrophobicContact CG-CD1 3.87Å; R665-L669 HydrophobicContact CG-CG 4.47Å; R665-L669 WeakPolarHBondContact O-CB 3.35Å; R665-L669 VanDerWaalsContact O-CG 3.25Å; R665-L669 WeakPolarHBondContact O-CG 3.45Å; R665-L669 PolarHBondContact O-N 3.07Å; E666-L669 PolarHBondContact O-N 3.37Å
670	W	91.1	Very high	90.1	Very high	22 Å²	22	49.8 Å²	49.8	8%	0.083	26%	0.255	C	S	.	.	H	α-helix	trans	-92.8	-32.6	-175.9	-75.7	95.7	0	0	0	113.7	L594 N595 R598 L600 V633 I636 E666	L594-W670 CarbonylContact C-O 3.58Å; L594-W670 VanDerWaalsContact CA-O 3.27Å; L594-W670 WeakPolarHBondContact CA-O 3.4Å; L594-W670 HydrophobicContact CD2-CB 4.32Å; L594-W670 WeakPolarHBondContact CD2-O 3.33Å; N595-W670 PolarHBondContact N-O 3.48Å; R598-W670 HydrophobicContact CB-CD2 4.38Å; R598-W670 HydrophobicContact CB-CE3 3.79Å; R598-W670 HydrophobicContact CB-CH2 3.85Å; R598-W670 HydrophobicContact CB-CZ2 4.41Å; R598-W670 HydrophobicContact CB-CZ3 3.51Å; L600-W670 HydrophobicContact CD2-CH2 4.45Å; L600-W670 HydrophobicContact CD2-CZ3 4.13Å; V633-W670 HydrophobicContact CB-CZ2 4.37Å; V633-W670 HydrophobicContact CG1-CD2 3.95Å; V633-W670 HydrophobicContact CG1-CE3 4.11Å; V633-W670 HydrophobicContact CG1-CH2 3.68Å; V633-W670 HydrophobicContact CG1-CZ2 3.5Å; V633-W670 VanDerWaalsContact CG1-CZ2 3.5Å; V633-W670 HydrophobicContact CG1-CZ3 3.97Å; V633-W670 HydrophobicContact CG2-CZ2 3.89Å; I636-W670 HydrophobicContact CG2-CB 3.98Å; E666-W670 WeakPolarHBondContact O-CB 3.34Å; E666-W670 VanDerWaalsContact O-CD1 3.28Å; E666-W670 PolarHBondContact O-N 3Å; E666-W670 VanDerWaalsContact OE2-CD1 3.25Å; E666-W670 PolarHBondContact OE2-NE1 3.28Å
671	C	89.7	Confident	90	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.007	27%	0.274	C	S	.	.			trans	-146.8	65.3	-172.2	-159.3	0	0	0	0	112.3	L594 I636 L667 H673 L674	L594-C671 HydrophobicContact CD2-CB 4.04Å; I636-C671 HydrophobicContact CG2-CB 4Å; L667-C671 CarbonylContact O-C 3.56Å; L667-C671 PolarHBondContact O-N 3.18Å; C671-H673 PolarHBondContact O-N 3.49Å; C671-L674 HydrophobicContact CB-CD1 3.85Å; C671-L674 HydrophobicContact CB-CG 4.35Å; C671-L674 PolarHBondContact O-N 2.99Å; C671-L674 WeakPolarHBondContact SG-CD1 3.43Å; C671-L674 VanDerWaalsContact SG-CG 3.59Å
672	P	88.4	Confident	90.2	Very high	82 Å²	82	50.1 Å²	50.1	53%	0.532	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-18.3	-173.9	25.5	-35.6	0	0	0	114.4	L674	P672-L674 VanDerWaalsContact C-N 3.26Å; P672-L674 PolarHBondContact O-N 3.22Å
673	H	86.5	Confident	90.2	Very high	129 Å²	129	51 Å²	51	60%	0.597	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-11.3	175.7	-61.1	-73.1	0	0	0	114.6	I593 C671	I593-H673 HydrophobicContact CD1-CB 3.77Å; I593-H673 HydrophobicContact CG1-CB 3.75Å; C671-H673 PolarHBondContact O-N 3.49Å
674	L	89	Confident	90.1	Very high	13 Å²	13	58.2 Å²	58.2	7%	0.068	32%	0.315	C	S	.	.	S	Bend	trans	-87.4	120.1	178.4	-70.7	171.5	0	0	0	111.2	W643 C671 P672 V676 N703 I704	W643-L674 HydrophobicContact CB-CD2 4.29Å; W643-L674 HydrophobicContact CG-CD2 4.06Å; C671-L674 HydrophobicContact CB-CD1 3.85Å; C671-L674 HydrophobicContact CB-CG 4.35Å; C671-L674 PolarHBondContact O-N 2.99Å; C671-L674 WeakPolarHBondContact SG-CD1 3.43Å; C671-L674 VanDerWaalsContact SG-CG 3.59Å; P672-L674 VanDerWaalsContact C-N 3.26Å; P672-L674 PolarHBondContact O-N 3.22Å; L674-V676 PolarHBondContact O-N 3.32Å; L674-V676 VanDerWaalsContact O-N 3.11Å; L674-N703 HydrophobicContact CD2-CB 4.04Å; L674-I704 HydrophobicContact CB-CD1 4.31Å; L674-I704 HydrophobicContact CD1-CD1 3.96Å
675	K	91.6	Very high	90	Very high	103 Å²	103	60.1 Å²	60.1	45%	0.448	32%	0.324	S	S	.	.			trans	-75.1	102.3	176	-169	165.6	179.7	177.8	0	110.4	D701 N703 I704	K675-D701 WeakPolarHBondContact CD-O 3.24Å; K675-D701 WeakPolarHBondContact CE-O 3.22Å; K675-D701 PolarHBondContact NZ-O 3.33Å; K675-D701 IonicContact NZ-OD1 3.54Å; K675-D701 PolarHBondContact NZ-OD1 2.73Å; K675-D701 IonicContact NZ-OD2 3.52Å; K675-D701 PolarHBondContact NZ-OD2 3.5Å; K675-N703 WeakPolarHBondContact CB-OD1 3.34Å; K675-N703 PolarHBondContact N-OD1 3.43Å; K675-N703 PolarHBondContact O-N 3.42Å; K675-I704 PolarHBondContact O-N 2.69Å; K675-I704 VanDerWaalsContact O-N 3.17Å
676	V	93.7	Very high	90.2	Very high	41 Å²	41	56 Å²	56	25%	0.248	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.9	179.7	-175.5	0	0	0	0	110.7	L667 L674 V678 I704 L706	L667-V676 HydrophobicContact CB-CG2 4.14Å; L667-V676 HydrophobicContact CD1-CG1 4.16Å; L667-V676 HydrophobicContact CD1-CG2 3.93Å; L667-V676 HydrophobicContact CD2-CG2 4.46Å; L667-V676 HydrophobicContact CG-CG2 4.41Å; L674-V676 PolarHBondContact O-N 3.32Å; L674-V676 VanDerWaalsContact O-N 3.11Å; V676-V678 HydrophobicContact CG1-CG2 4.23Å; V676-I704 WeakPolarHBondContact CA-O 3.08Å; V676-I704 HydrophobicContact CG1-CG2 4.27Å; V676-I704 HydrophobicContact CG2-CB 4.29Å; V676-I704 HydrophobicContact CG2-CD1 4.36Å; V676-L706 HydrophobicContact CG1-CB 4.02Å
677	L	93.1	Very high	90.1	Very high	47 Å²	47	60 Å²	60	25%	0.246	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	115.6	169.5	178.4	60.2	0	0	0	110.1	Y679 I689 I693 F702 I704 L705 L706	L677-Y679 PolarHBondContact O-N 3.29Å; L677-I689 HydrophobicContact CD1-CG2 4.17Å; L677-I689 HydrophobicContact CD2-CG2 3.95Å; L677-I689 HydrophobicContact CG-CG2 4.37Å; L677-I693 HydrophobicContact CD2-CD1 3.83Å; L677-I693 HydrophobicContact CD2-CG1 4.16Å; L677-F702 HydrophobicContact CB-CB 3.85Å; L677-F702 HydrophobicContact CB-CD1 4.09Å; L677-F702 HydrophobicContact CB-CG 3.9Å; L677-F702 HydrophobicContact CD2-CD1 3.48Å; L677-F702 VanDerWaalsContact CD2-CD1 3.48Å; L677-F702 HydrophobicContact CD2-CE1 3.71Å; L677-F702 HydrophobicContact CD2-CG 4.15Å; L677-F702 HydrophobicContact CG-CD1 4.45Å; L677-I704 PolarHBondContact N-O 3.14Å; L677-L705 WeakPolarHBondContact O-CA 3.33Å; L677-L706 PolarHBondContact O-N 2.81Å
678	V	92.8	Very high	90	Very high	31 Å²	31	62.4 Å²	62.4	19%	0.188	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	104.7	-179	-167.8	0	0	0	0	109.9	Q660 Q664 V676 Q680	Q660-V678 HydrophobicContact CG-CG1 4.48Å; Q660-V678 VanDerWaalsContact NE2-CG1 3.29Å; Q664-V678 HydrophobicContact CG-CG2 4.36Å; V676-V678 HydrophobicContact CG1-CG2 4.23Å; V678-Q680 HydrophobicContact CG1-CG 3.95Å; V678-Q680 PolarHBondContact O-N 3.25Å
679	Y	91.7	Very high	89.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	85.8	-177.1	-167.6	-97.3	0	0	0	111	L677 R686 I689 R690 L705 L706 T707 V711 D718 L721 M722	L677-Y679 PolarHBondContact O-N 3.29Å; Y679-R686 HydrophobicContact CE1-CG 4.36Å; Y679-R686 HydrophobicContact CE2-CB 4.32Å; Y679-R686 HydrophobicContact CE2-CG 4.48Å; Y679-I689 HydrophobicContact CD2-CB 4.25Å; Y679-I689 HydrophobicContact CD2-CG2 3.66Å; Y679-I689 HydrophobicContact CE2-CB 4.17Å; Y679-I689 HydrophobicContact CE2-CG2 3.94Å; Y679-R690 HydrophobicContact CE2-CG 4.1Å; Y679-R690 VanDerWaalsContact OH-CD 3.31Å; Y679-R690 WeakPolarHBondContact OH-CD 3.47Å; Y679-R690 VanDerWaalsContact OH-CG 3.3Å; Y679-R690 WeakPolarHBondContact OH-CG 3.27Å; Y679-R690 PolarHBondContact OH-NH1 3.15Å; Y679-R690 VanDerWaalsContact OH-NH1 3.15Å; Y679-L705 HydrophobicContact CG-CD2 4.34Å; Y679-L706 PolarHBondContact N-O 2.91Å; Y679-T707 PolarHBondContact O-OG1 3.49Å; Y679-V711 HydrophobicContact CD1-CG1 3.69Å; Y679-V711 HydrophobicContact CE1-CG1 3.73Å; Y679-D718 VanDerWaalsContact CE1-OD1 3.3Å; Y679-D718 WeakPolarHBondContact CE1-OD1 3.45Å; Y679-D718 PolarHBondContact OH-OD1 3.26Å; Y679-L721 HydrophobicContact CD2-CD2 4.22Å; Y679-L721 HydrophobicContact CE2-CD2 3.72Å; Y679-M722 HydrophobicContact CD1-CE 4.18Å; Y679-M722 HydrophobicContact CE1-CE 4.48Å
680	Q	87.9	Confident	89.8	Confident	74 Å²	74	58.8 Å²	58.8	35%	0.346	32%	0.318	S	S	.	.			trans	-144.2	-173.7	178.2	68	-174.5	2	0	0	112.2	Q660 V678 R686	Q660-Q680 VanDerWaalsContact CD-OE1 3.3Å; V678-Q680 HydrophobicContact CG1-CG 3.95Å; V678-Q680 PolarHBondContact O-N 3.25Å; Q680-R686 WeakPolarHBondContact O-CG 3.22Å
681	G	85	Confident	89.6	Confident	39 Å²	39	61.7 Å²	61.7	40%	0.402	34%	0.335	S	S	.	.	S	Bend	trans	94	-168.9	176.1	0	0	0	0	0	115.2	Q685 R686	G681-Q685 VanDerWaalsContact CA-OE1 3.23Å; G681-R686 PolarHBondContact O-NE 2.92Å
682	S	87.3	Confident	89.5	Confident	52 Å²	52	68.8 Å²	68.8	36%	0.364	37%	0.365	S	S	.	.			trans	-60.5	164.5	-177.3	83	0	0	0	0	112.4	E684 Q685 R686	S682-E684 PolarHBondContact O-N 2.81Å; S682-E684 PolarHBondContact OG-N 3.01Å; S682-Q685 PolarHBondContact O-N 2.88Å; S682-Q685 PolarHBondContact OG-N 3.44Å; S682-Q685 VanDerWaalsContact OG-N 3.07Å; S682-R686 WeakPolarHBondContact O-CB 3.35Å; S682-R686 WeakPolarHBondContact O-CG 3.2Å; S682-R686 PolarHBondContact O-N 2.9Å; S682-R686 PolarHBondContact O-NE 3.03Å
683	A	87.2	Confident	89.4	Confident	65 Å²	65	65.7 Å²	65.7	54%	0.537	34%	0.344	S	S	.	.	H	α-helix	trans	-58.2	-28.4	174.9	0	0	0	0	0	112.7	K687 R690	A683-K687 WeakPolarHBondContact O-CB 3.43Å; A683-K687 PolarHBondContact O-N 3.42Å; A683-R690 PolarHBondContact O-NH2 2.97Å
684	E	88.9	Confident	89.2	Confident	153 Å²	153	62.6 Å²	62.6	72%	0.715	33%	0.328	S	S	*	.	H	α-helix	trans	-80.7	-46.6	179.2	-59	174.9	150.1	0	0	112	S682 R686 K687 A688	S682-E684 PolarHBondContact O-N 2.81Å; S682-E684 PolarHBondContact OG-N 3.01Å; E684-R686 VanDerWaalsContact C-N 3.27Å; E684-R686 PolarHBondContact O-N 3.03Å; E684-K687 CarbonylContact O-C 3.54Å; E684-K687 WeakPolarHBondContact O-CA 3.27Å; E684-K687 VanDerWaalsContact O-CB 3.31Å; E684-K687 WeakPolarHBondContact O-CB 3.45Å; E684-K687 PolarHBondContact O-N 2.57Å; E684-A688 PolarHBondContact O-N 3.24Å
685	Q	90.3	Very high	88.9	Confident	115 Å²	115	68.2 Å²	68.2	54%	0.537	35%	0.354	S	S	.	.	H	α-helix	trans	-56.3	-45.4	172.6	-72.2	170.7	-32.8	0	0	110.2	G681 S682 K687 A688 I689	G681-Q685 VanDerWaalsContact CA-OE1 3.23Å; S682-Q685 PolarHBondContact O-N 2.88Å; S682-Q685 PolarHBondContact OG-N 3.44Å; S682-Q685 VanDerWaalsContact OG-N 3.07Å; Q685-K687 VanDerWaalsContact C-N 3.34Å; Q685-K687 PolarHBondContact O-N 3.04Å; Q685-A688 PolarHBondContact O-N 3.08Å; Q685-I689 WeakPolarHBondContact O-CG1 3.24Å; Q685-I689 PolarHBondContact O-N 3.4Å
686	R	92	Very high	88.1	Confident	30 Å²	30	65 Å²	65	11%	0.113	34%	0.344	C	S	.	.	H	α-helix	trans	-68.6	-28.6	175	-66.5	-175.4	-66	112.1	-10.2	113.2	Y679 Q680 G681 S682 E684 R690 D718	Y679-R686 HydrophobicContact CE1-CG 4.36Å; Y679-R686 HydrophobicContact CE2-CB 4.32Å; Y679-R686 HydrophobicContact CE2-CG 4.48Å; Q680-R686 WeakPolarHBondContact O-CG 3.22Å; G681-R686 PolarHBondContact O-NE 2.92Å; S682-R686 WeakPolarHBondContact O-CB 3.35Å; S682-R686 WeakPolarHBondContact O-CG 3.2Å; S682-R686 PolarHBondContact O-N 2.9Å; S682-R686 PolarHBondContact O-NE 3.03Å; E684-R686 VanDerWaalsContact C-N 3.27Å; E684-R686 PolarHBondContact O-N 3.03Å; R686-R690 WeakPolarHBondContact O-CB 3.46Å; R686-R690 VanDerWaalsContact O-CG 3.28Å; R686-R690 WeakPolarHBondContact O-CG 3.5Å; R686-R690 PolarHBondContact O-N 2.97Å; R686-R690 PolarHBondContact O-NE 3.02Å; R686-D718 IonicContact CZ-OD2 3.54Å; R686-D718 IonicContact NH1-OD1 2.7Å; R686-D718 PolarHBondContact NH1-OD1 3.48Å; R686-D718 IonicContact NH1-OD2 3.71Å; R686-D718 PolarHBondContact NH1-OD2 2.79Å
687	K	90.4	Very high	86.6	Confident	128 Å²	128	71.3 Å²	71.3	56%	0.557	37%	0.371	S	S	*	.	H	α-helix	trans	-65.6	-46.1	170	-176.9	-172.9	174.1	-169.7	0	111	A683 E684 Q685 R690 L691	A683-K687 WeakPolarHBondContact O-CB 3.43Å; A683-K687 PolarHBondContact O-N 3.42Å; E684-K687 CarbonylContact O-C 3.54Å; E684-K687 WeakPolarHBondContact O-CA 3.27Å; E684-K687 VanDerWaalsContact O-CB 3.31Å; E684-K687 WeakPolarHBondContact O-CB 3.45Å; E684-K687 PolarHBondContact O-N 2.57Å; Q685-K687 VanDerWaalsContact C-N 3.34Å; Q685-K687 PolarHBondContact O-N 3.04Å; K687-R690 PolarHBondContact O-N 3.12Å; K687-L691 HydrophobicContact CG-CD1 4.39Å; K687-L691 WeakPolarHBondContact O-CG 3.37Å; K687-L691 PolarHBondContact O-N 2.79Å
688	A	90.1	Very high	85.1	Confident	51 Å²	51	74.9 Å²	74.9	42%	0.421	40%	0.4	S	S	.	.	H	α-helix	trans	-61.9	-42.5	176.5	0	0	0	0	0	111.8	E684 Q685 L691 K692	E684-A688 PolarHBondContact O-N 3.24Å; Q685-A688 PolarHBondContact O-N 3.08Å; A688-L691 PolarHBondContact O-N 2.6Å; A688-K692 PolarHBondContact O-N 3.17Å; A688-K692 VanDerWaalsContact O-N 3.17Å
689	I	89.7	Confident	83.9	Confident	34 Å²	34	81.2 Å²	81.2	17%	0.174	43%	0.428	C	S	.	.	H	α-helix	trans	-63.7	-43.4	174.6	-61.4	162	0	0	0	111.1	L677 Y679 Q685 L691 K692 I693	L677-I689 HydrophobicContact CD1-CG2 4.17Å; L677-I689 HydrophobicContact CD2-CG2 3.95Å; L677-I689 HydrophobicContact CG-CG2 4.37Å; Y679-I689 HydrophobicContact CD2-CB 4.25Å; Y679-I689 HydrophobicContact CD2-CG2 3.66Å; Y679-I689 HydrophobicContact CE2-CB 4.17Å; Y679-I689 HydrophobicContact CE2-CG2 3.94Å; Q685-I689 WeakPolarHBondContact O-CG1 3.24Å; Q685-I689 PolarHBondContact O-N 3.4Å; I689-L691 VanDerWaalsContact C-N 3.33Å; I689-L691 PolarHBondContact O-N 2.79Å; I689-K692 PolarHBondContact O-N 3.12Å; I689-I693 HydrophobicContact CG2-CD1 3.85Å; I689-I693 HydrophobicContact CG2-CG1 4.46Å; I689-I693 VanDerWaalsContact O-CG1 3.3Å; I689-I693 WeakPolarHBondContact O-CG1 3.37Å; I689-I693 PolarHBondContact O-N 3.19Å; I689-I693 VanDerWaalsContact O-N 3.16Å
690	R	90	Very high	82.9	Confident	24 Å²	24	83 Å²	83	9%	0.091	44%	0.439	C	S	.	.	H	α-helix	trans	-59.6	-39.9	175.6	-77.5	-179.6	-56	-115.1	1.1	112.8	Y679 A683 R686 K687 I693 Y694 D718 L721	Y679-R690 HydrophobicContact CE2-CG 4.1Å; Y679-R690 VanDerWaalsContact OH-CD 3.31Å; Y679-R690 WeakPolarHBondContact OH-CD 3.47Å; Y679-R690 VanDerWaalsContact OH-CG 3.3Å; Y679-R690 WeakPolarHBondContact OH-CG 3.27Å; Y679-R690 PolarHBondContact OH-NH1 3.15Å; Y679-R690 VanDerWaalsContact OH-NH1 3.15Å; A683-R690 PolarHBondContact O-NH2 2.97Å; R686-R690 WeakPolarHBondContact O-CB 3.46Å; R686-R690 VanDerWaalsContact O-CG 3.28Å; R686-R690 WeakPolarHBondContact O-CG 3.5Å; R686-R690 PolarHBondContact O-N 2.97Å; R686-R690 PolarHBondContact O-NE 3.02Å; K687-R690 PolarHBondContact O-N 3.12Å; R690-I693 PolarHBondContact O-N 2.67Å; R690-Y694 HydrophobicContact CB-CE2 4.32Å; R690-Y694 WeakPolarHBondContact O-CD2 3.4Å; R690-Y694 PolarHBondContact O-N 3.28Å; R690-Y694 VanDerWaalsContact O-N 3.08Å; R690-D718 IonicContact NH1-OD1 3.55Å; R690-D718 PolarHBondContact NH1-OD1 3.4Å; R690-L721 HydrophobicContact CG-CB 4.42Å; R690-L721 HydrophobicContact CG-CD1 4.35Å; R690-L721 HydrophobicContact CG-CD2 4.12Å
691	L	86.9	Confident	82.7	Confident	83 Å²	83	84.9 Å²	84.9	44%	0.435	45%	0.451	S	S	.	.	H	α-helix	trans	-62.5	-49.9	177.7	-72.6	169.8	0	0	0	111.1	K687 A688 I689 I693 Y694 E695	K687-L691 HydrophobicContact CG-CD1 4.39Å; K687-L691 WeakPolarHBondContact O-CG 3.37Å; K687-L691 PolarHBondContact O-N 2.79Å; A688-L691 PolarHBondContact O-N 2.6Å; I689-L691 VanDerWaalsContact C-N 3.33Å; I689-L691 PolarHBondContact O-N 2.79Å; L691-I693 VanDerWaalsContact C-N 3.28Å; L691-I693 PolarHBondContact O-N 3Å; L691-Y694 CarbonylContact O-C 3.6Å; L691-Y694 WeakPolarHBondContact O-CA 3.41Å; L691-Y694 WeakPolarHBondContact O-CB 3.47Å; L691-Y694 PolarHBondContact O-N 2.94Å; L691-E695 WeakPolarHBondContact O-CG 3.42Å; L691-E695 PolarHBondContact O-N 3.29Å
692	K	86.7	Confident	82.9	Confident	150 Å²	150	83.7 Å²	83.7	65%	0.652	44%	0.435	S	S	*	.	H	α-helix	trans	-55.2	-39	175.5	-68.1	-176.7	177.3	-169.8	0	113.6	A688 I689 Y694 E695 S696	A688-K692 PolarHBondContact O-N 3.17Å; A688-K692 VanDerWaalsContact O-N 3.17Å; I689-K692 PolarHBondContact O-N 3.12Å; K692-Y694 VanDerWaalsContact C-N 3.32Å; K692-E695 WeakPolarHBondContact CA-OE2 3.27Å; K692-S696 PolarHBondContact O-N 3.01Å; K692-S696 PolarHBondContact O-OG 3.24Å
693	I	86.5	Confident	83.1	Confident	18 Å²	18	82.6 Å²	82.6	9%	0.092	43%	0.425	C	S	.	.	H	α-helix	trans	-73.3	-23.3	176.8	-57.6	166.7	0	0	0	112.2	L677 I689 R690 L691 S696 F702 L705 L721 V725	L677-I693 HydrophobicContact CD2-CD1 3.83Å; L677-I693 HydrophobicContact CD2-CG1 4.16Å; I689-I693 HydrophobicContact CG2-CD1 3.85Å; I689-I693 HydrophobicContact CG2-CG1 4.46Å; I689-I693 VanDerWaalsContact O-CG1 3.3Å; I689-I693 WeakPolarHBondContact O-CG1 3.37Å; I689-I693 PolarHBondContact O-N 3.19Å; I689-I693 VanDerWaalsContact O-N 3.16Å; R690-I693 PolarHBondContact O-N 2.67Å; L691-I693 VanDerWaalsContact C-N 3.28Å; L691-I693 PolarHBondContact O-N 3Å; I693-S696 PolarHBondContact O-OG 3.25Å; I693-S696 VanDerWaalsContact O-OG 3.1Å; I693-F702 HydrophobicContact CD1-CE1 4.18Å; I693-F702 HydrophobicContact CG1-CE1 4.06Å; I693-F702 HydrophobicContact CG2-CE1 4.44Å; I693-L705 HydrophobicContact CD1-CD1 4.37Å; I693-L721 HydrophobicContact CB-CD1 4.13Å; I693-L721 HydrophobicContact CD1-CD1 3.99Å; I693-L721 HydrophobicContact CD1-CD2 4.04Å; I693-L721 HydrophobicContact CG2-CD1 3.83Å; I693-V725 HydrophobicContact CG2-CG2 4.03Å
694	Y	83.5	Confident	83.5	Confident	63 Å²	63	79.5 Å²	79.5	25%	0.247	40%	0.4	C	S	.	.	H	α-helix	trans	-87.6	-26.5	176	-65.2	-19.1	0	0	0	113.1	R690 L691 K692 L721 R724	R690-Y694 HydrophobicContact CB-CE2 4.32Å; R690-Y694 WeakPolarHBondContact O-CD2 3.4Å; R690-Y694 PolarHBondContact O-N 3.28Å; R690-Y694 VanDerWaalsContact O-N 3.08Å; L691-Y694 CarbonylContact O-C 3.6Å; L691-Y694 WeakPolarHBondContact O-CA 3.41Å; L691-Y694 WeakPolarHBondContact O-CB 3.47Å; L691-Y694 PolarHBondContact O-N 2.94Å; K692-Y694 VanDerWaalsContact C-N 3.32Å; Y694-L721 HydrophobicContact CD1-CD1 4.41Å; Y694-L721 HydrophobicContact CE1-CD1 3.7Å; Y694-R724 VanDerWaalsContact CG-NH1 3.28Å
695	E	81.2	Confident	83.8	Confident	131 Å²	131	72.2 Å²	72.2	61%	0.612	37%	0.366	S	S	*	.	H	α-helix	trans	-73.4	-30.6	172.5	-71	151.2	-162.2	0	0	111.7	L691 K692 E697	L691-E695 WeakPolarHBondContact O-CG 3.42Å; L691-E695 PolarHBondContact O-N 3.29Å; K692-E695 WeakPolarHBondContact CA-OE2 3.27Å; E695-E697 VanDerWaalsContact C-N 3.27Å; E695-E697 PolarHBondContact O-N 3.47Å
696	S	74.8	Confident	84	Confident	36 Å²	36	66.7 Å²	66.7	25%	0.252	34%	0.34	S	S	.	.			trans	-75.6	73	172.1	66.4	0	0	0	0	111.7	K692 I693 S698 Q699	K692-S696 PolarHBondContact O-N 3.01Å; K692-S696 PolarHBondContact O-OG 3.24Å; I693-S696 PolarHBondContact O-OG 3.25Å; I693-S696 VanDerWaalsContact O-OG 3.1Å; S696-S698 VanDerWaalsContact C-N 3.35Å; S696-S698 PolarHBondContact O-N 2.83Å; S696-Q699 WeakPolarHBondContact CB-O 3.21Å
697	E	62.8	Low	84.1	Confident	174 Å²	174	65.3 Å²	65.3	81%	0.813	34%	0.335	S	S	*	.			trans	-62.2	-32.5	-168.1	-64.3	-159.9	132	0	0	115.2	E695	E695-E697 VanDerWaalsContact C-N 3.27Å; E695-E697 PolarHBondContact O-N 3.47Å
698	S	62.4	Low	84.2	Confident	122 Å²	122	59.3 Å²	59.3	85%	0.853	31%	0.309	S	S	*	.	S	Bend	trans	-97.9	-44	-172.2	-69.1	0	0	0	0	114.7	S696	S696-S698 VanDerWaalsContact C-N 3.35Å; S696-S698 PolarHBondContact O-N 2.83Å
699	Q	66.6	Low	84.2	Confident	164 Å²	164	57.1 Å²	57.1	77%	0.766	29%	0.29	S	S	*	.	S	Bend	trans	-146.9	143.2	175.2	-67	-168.7	9.5	0	0	110.1	S696	S696-Q699 WeakPolarHBondContact CB-O 3.21Å
700	P	70.7	Confident	84.1	Confident	37 Å²	37	58.2 Å²	58.2	24%	0.24	30%	0.304	C	S	.	.			trans	-70.2	136.3	174.8	28	-32.4	0	0	0	111.4	P650 F702	P650-P700 HydrophobicContact CB-CG 3.81Å; P650-P700 HydrophobicContact CG-CG 3.82Å; P700-F702 HydrophobicContact CB-CD1 3.85Å; P700-F702 HydrophobicContact CB-CE1 3.44Å; P700-F702 VanDerWaalsContact CB-CE1 3.44Å; P700-F702 HydrophobicContact CB-CE2 4.29Å; P700-F702 HydrophobicContact CB-CG 4.44Å; P700-F702 HydrophobicContact CB-CZ 3.69Å; P700-F702 HydrophobicContact CG-CZ 4.34Å; P700-F702 PolarHBondContact O-N 2.71Å
701	D	83.8	Confident	84.1	Confident	113 Å²	113	58.1 Å²	58.1	60%	0.604	31%	0.306	S	S	*	.	S	Bend	trans	-76.8	44.4	178.2	-175.3	33.6	0	0	0	113.2	K675	K675-D701 WeakPolarHBondContact CD-O 3.24Å; K675-D701 WeakPolarHBondContact CE-O 3.22Å; K675-D701 PolarHBondContact NZ-O 3.33Å; K675-D701 IonicContact NZ-OD1 3.54Å; K675-D701 PolarHBondContact NZ-OD1 2.73Å; K675-D701 IonicContact NZ-OD2 3.52Å; K675-D701 PolarHBondContact NZ-OD2 3.5Å
702	F	89.8	Confident	84	Confident	14 Å²	14	54.2 Å²	54.2	6%	0.061	29%	0.286	C	S	.	.			trans	-157.3	147	175.8	61.2	-96.7	0	0	0	111.8	P650 L677 I693 P700 L705 F727	P650-F702 HydrophobicContact CB-CD2 4.44Å; P650-F702 HydrophobicContact CB-CE2 3.83Å; L677-F702 HydrophobicContact CB-CB 3.85Å; L677-F702 HydrophobicContact CB-CD1 4.09Å; L677-F702 HydrophobicContact CB-CG 3.9Å; L677-F702 HydrophobicContact CD2-CD1 3.48Å; L677-F702 VanDerWaalsContact CD2-CD1 3.48Å; L677-F702 HydrophobicContact CD2-CE1 3.71Å; L677-F702 HydrophobicContact CD2-CG 4.15Å; L677-F702 HydrophobicContact CG-CD1 4.45Å; I693-F702 HydrophobicContact CD1-CE1 4.18Å; I693-F702 HydrophobicContact CG1-CE1 4.06Å; I693-F702 HydrophobicContact CG2-CE1 4.44Å; P700-F702 HydrophobicContact CB-CD1 3.85Å; P700-F702 HydrophobicContact CB-CE1 3.44Å; P700-F702 VanDerWaalsContact CB-CE1 3.44Å; P700-F702 HydrophobicContact CB-CE2 4.29Å; P700-F702 HydrophobicContact CB-CG 4.44Å; P700-F702 HydrophobicContact CB-CZ 3.69Å; P700-F702 HydrophobicContact CG-CZ 4.34Å; P700-F702 PolarHBondContact O-N 2.71Å; F702-L705 HydrophobicContact CD2-CB 4.17Å; F702-L705 HydrophobicContact CE2-CB 3.66Å; F702-L705 HydrophobicContact CE2-CD1 4.37Å; F702-L705 HydrophobicContact CZ-CB 4.15Å; F702-L705 HydrophobicContact CZ-CD1 3.99Å; F702-F727 HydrophobicContact CE2-CE1 4.34Å
703	N	91.3	Very high	84	Confident	29 Å²	29	48 Å²	48	16%	0.155	26%	0.261	C	S	.	.	S	Bend	trans	-83.5	-35.9	172.7	-54.5	113.5	0	0	0	111.4	R648 H651 L674 K675	R648-N703 PolarHBondContact O-ND2 3.11Å; H651-N703 PolarHBondContact CD2-O 3.04Å; H651-N703 PolarHBondContact N-O 3.3Å; L674-N703 HydrophobicContact CD2-CB 4.04Å; K675-N703 WeakPolarHBondContact CB-OD1 3.34Å; K675-N703 PolarHBondContact N-OD1 3.43Å; K675-N703 PolarHBondContact O-N 3.42Å
704	I	94.6	Very high	83.8	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.8	-175.4	-64.7	171.9	0	0	0	109.7	L639 H651 I653 L667 L674 K675 V676 L677	L639-I704 HydrophobicContact CD1-CD1 3.62Å; L639-I704 HydrophobicContact CD1-CG1 4.13Å; H651-I704 HydrophobicContact CB-CG1 4.36Å; H651-I704 CarbonylContact O-C 3.6Å; H651-I704 WeakPolarHBondContact O-CA 3.42Å; I653-I704 HydrophobicContact CD1-CD1 4.44Å; I653-I704 HydrophobicContact CD1-CG2 3.67Å; I653-I704 HydrophobicContact CG1-CG2 3.92Å; L667-I704 HydrophobicContact CD2-CD1 3.69Å; L674-I704 HydrophobicContact CB-CD1 4.31Å; L674-I704 HydrophobicContact CD1-CD1 3.96Å; K675-I704 PolarHBondContact O-N 2.69Å; K675-I704 VanDerWaalsContact O-N 3.17Å; V676-I704 WeakPolarHBondContact CA-O 3.08Å; V676-I704 HydrophobicContact CG1-CG2 4.27Å; V676-I704 HydrophobicContact CG2-CB 4.29Å; V676-I704 HydrophobicContact CG2-CD1 4.36Å; L677-I704 PolarHBondContact N-O 3.14Å
705	L	94.8	Very high	83.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.5	161.4	-167.5	157.9	0	0	0	108.7	H651 L652 I653 L677 Y679 I693 F702 T707 L721 M722 F727	H651-L705 PolarHBondContact O-N 3.25Å; L652-L705 HydrophobicContact CD1-CB 4.4Å; L652-L705 HydrophobicContact CD1-CD2 3.78Å; I653-L705 PolarHBondContact N-O 3.5Å; L677-L705 WeakPolarHBondContact O-CA 3.33Å; Y679-L705 HydrophobicContact CG-CD2 4.34Å; I693-L705 HydrophobicContact CD1-CD1 4.37Å; F702-L705 HydrophobicContact CD2-CB 4.17Å; F702-L705 HydrophobicContact CE2-CB 3.66Å; F702-L705 HydrophobicContact CE2-CD1 4.37Å; F702-L705 HydrophobicContact CZ-CB 4.15Å; F702-L705 HydrophobicContact CZ-CD1 3.99Å; L705-T707 HydrophobicContact CD2-CG2 4.16Å; L705-L721 HydrophobicContact CD1-CD2 4.47Å; L705-M722 HydrophobicContact CD1-CE 4.5Å; L705-M722 HydrophobicContact CD2-CE 3.85Å; L705-F727 HydrophobicContact CB-CE1 4.07Å; L705-F727 HydrophobicContact CD1-CE1 4.5Å; L705-F727 HydrophobicContact CD1-CZ 4.28Å
706	L	95.1	Very high	84.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.1	175.7	176	61.7	0	0	0	109.6	I653 Q660 W663 Q664 V676 L677 Y679	I653-L706 HydrophobicContact CB-CD1 3.87Å; I653-L706 HydrophobicContact CG2-CD1 3.67Å; Q660-L706 HydrophobicContact CG-CD2 4.19Å; Q660-L706 HydrophobicContact CG-CG 4.16Å; W663-L706 HydrophobicContact CB-CD1 3.91Å; W663-L706 HydrophobicContact CB-CD2 3.95Å; W663-L706 HydrophobicContact CG-CD1 4.36Å; Q664-L706 HydrophobicContact CB-CD2 4.1Å; V676-L706 HydrophobicContact CG1-CB 4.02Å; L677-L706 PolarHBondContact O-N 2.81Å; Y679-L706 PolarHBondContact N-O 2.91Å
707	T	94	Very high	84.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	172.2	176.9	-160.2	0	0	0	0	112.2	L652 I653 I654 C655 Y679 L705 M722	L652-T707 HydrophobicContact CD1-CG2 4.24Å; I653-T707 PolarHBondContact O-N 3Å; I654-T707 WeakPolarHBondContact CA-O 3.37Å; I654-T707 HydrophobicContact CG1-CG2 4.24Å; C655-T707 PolarHBondContact N-O 2.86Å; C655-T707 VanDerWaalsContact N-O 3.13Å; Y679-T707 PolarHBondContact O-OG1 3.49Å; L705-T707 HydrophobicContact CD2-CG2 4.16Å; T707-M722 HydrophobicContact CG2-CE 4.04Å
708	S	92.1	Very high	86	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	154.3	175.4	61.7	0	0	0	0	112.9	C655 S657 A710 V711 G712	C655-S708 VanDerWaalsContact O-CA 3.24Å; C655-S708 WeakPolarHBondContact O-CA 3.49Å; S657-S708 WeakPolarHBondContact OG-CB 3.36Å; S708-A710 PolarHBondContact O-N 3.13Å; S708-A710 VanDerWaalsContact O-N 3.16Å; S708-V711 PolarHBondContact O-N 3.11Å; S708-V711 WeakPolarHBondContact OG-CG2 3.41Å; S708-V711 PolarHBondContact OG-N 3.2Å; S708-G712 PolarHBondContact O-N 3.36Å
709	Y	91	Very high	87.2	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-53	-33.8	173.9	-77	-63	0	0	0	113.8	I654 C655 T713 F732 D733 M737 L738 R745 L749	I654-Y709 HydrophobicContact CB-CD1 4.47Å; I654-Y709 HydrophobicContact CB-CE1 4.31Å; I654-Y709 HydrophobicContact CG2-CD1 3.41Å; I654-Y709 VanDerWaalsContact CG2-CD1 3.41Å; I654-Y709 HydrophobicContact CG2-CD2 4.33Å; I654-Y709 HydrophobicContact CG2-CE1 3.7Å; I654-Y709 HydrophobicContact CG2-CG 3.77Å; C655-Y709 WeakPolarHBondContact O-CD2 3.19Å; C655-Y709 PolarHBondContact O-N 3.39Å; Y709-T713 PolarHBondContact O-OG1 3.47Å; Y709-F732 HydrophobicContact CE1-CD1 4.41Å; Y709-D733 VanDerWaalsContact CE2-O 3.25Å; Y709-D733 WeakPolarHBondContact CE2-O 3.29Å; Y709-D733 PolarHBondContact OH-O 3.47Å; Y709-M737 HydrophobicContact CD2-CB 4.38Å; Y709-M737 HydrophobicContact CD2-CE 3.69Å; Y709-M737 HydrophobicContact CD2-SD 3.43Å; Y709-M737 WeakPolarHBondContact CD2-SD 3.3Å; Y709-M737 HydrophobicContact CE2-CB 3.99Å; Y709-M737 HydrophobicContact CE2-CE 4.38Å; Y709-M737 HydrophobicContact CE2-CG 4.3Å; Y709-M737 HydrophobicContact CE2-SD 3.62Å; Y709-M737 HydrophobicContact CG-CE 4.16Å; Y709-M737 HydrophobicContact CG-SD 4.42Å; Y709-L738 HydrophobicContact CE1-CD2 4.01Å; Y709-R745 HydrophobicContact CD1-CG 4.46Å; Y709-L749 HydrophobicContact CD1-CD1 3.77Å; Y709-L749 HydrophobicContact CE1-CD1 3.7Å
710	A	88.3	Confident	88.2	Confident	57 Å²	57	34.9 Å²	34.9	47%	0.471	20%	0.2	S	C	.	.	H	α-helix	trans	-69.5	-58.3	178.1	0	0	0	0	0	110.7	S708 G712 T713 S714	S708-A710 PolarHBondContact O-N 3.13Å; S708-A710 VanDerWaalsContact O-N 3.16Å; A710-G712 PolarHBondContact O-N 3.37Å; A710-T713 PolarHBondContact O-N 3.49Å; A710-S714 VanDerWaalsContact O-CB 3.23Å; A710-S714 WeakPolarHBondContact O-CB 3.39Å; A710-S714 PolarHBondContact O-N 3.48Å; A710-S714 VanDerWaalsContact O-N 3.09Å; A710-S714 PolarHBondContact O-OG 2.85Å
711	V	89	Confident	89	Confident	23 Å²	23	33.1 Å²	33.1	14%	0.139	19%	0.189	C	C	.	.	H	α-helix	trans	-57.8	-55.6	-177.1	174.3	0	0	0	0	110.6	Y679 S708 T713 S714	Y679-V711 HydrophobicContact CD1-CG1 3.69Å; Y679-V711 HydrophobicContact CE1-CG1 3.73Å; S708-V711 PolarHBondContact O-N 3.11Å; S708-V711 WeakPolarHBondContact OG-CG2 3.41Å; S708-V711 PolarHBondContact OG-N 3.2Å; V711-T713 PolarHBondContact O-N 3.46Å; V711-T713 VanDerWaalsContact O-N 3.11Å; V711-S714 PolarHBondContact O-N 3.42Å; V711-S714 PolarHBondContact O-OG 3.26Å
712	G	85.8	Confident	89.2	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-23.7	-174.6	0	0	0	0	0	115.2	S708 A710 R719 F752	S708-G712 PolarHBondContact O-N 3.36Å; A710-G712 PolarHBondContact O-N 3.37Å; G712-R719 WeakPolarHBondContact O-CG 3.42Å; G712-F752 WeakPolarHBondContact O-CZ 3.31Å
713	T	86.8	Confident	89.1	Confident	19 Å²	19	31.9 Å²	31.9	12%	0.117	18%	0.178	C	C	.	.	H	α-helix	trans	-106.7	-4.1	-179.1	68.3	0	0	0	0	115	Y709 A710 V711 R719 R745 N748 L749 F752	Y709-T713 PolarHBondContact O-OG1 3.47Å; A710-T713 PolarHBondContact O-N 3.49Å; V711-T713 PolarHBondContact O-N 3.46Å; V711-T713 VanDerWaalsContact O-N 3.11Å; T713-R719 WeakPolarHBondContact O-CD 3.27Å; T713-R719 PolarHBondContact O-NE 2.96Å; T713-R745 HydrophobicContact CG2-CG 4.34Å; T713-N748 HydrophobicContact CG2-CB 3.95Å; T713-N748 PolarHBondContact O-ND2 2.82Å; T713-L749 HydrophobicContact CG2-CD1 4.47Å; T713-L749 HydrophobicContact CG2-CD2 3.52Å; T713-L749 HydrophobicContact CG2-CG 3.71Å; T713-F752 HydrophobicContact CG2-CZ 4.5Å
714	S	81.1	Confident	88.8	Confident	60 Å²	60	37 Å²	37	42%	0.42	20%	0.195	S	C	.	.	S	Bend	trans	-75.5	-86.1	-174.7	61.4	0	0	0	0	113.6	A710 V711 R719	A710-S714 VanDerWaalsContact O-CB 3.23Å; A710-S714 WeakPolarHBondContact O-CB 3.39Å; A710-S714 PolarHBondContact O-N 3.48Å; A710-S714 VanDerWaalsContact O-N 3.09Å; A710-S714 PolarHBondContact O-OG 2.85Å; V711-S714 PolarHBondContact O-N 3.42Å; V711-S714 PolarHBondContact O-OG 3.26Å; S714-R719 PolarHBondContact O-NE 3.15Å; S714-R719 PolarHBondContact O-NH2 3.27Å
715	A	85.3	Confident	88.5	Confident	30 Å²	30	37.9 Å²	37.9	25%	0.248	20%	0.2	C	C	.	.	S	Bend	trans	-69.9	168.4	-172.2	0	0	0	0	0	112.1	E717 D718 R719	A715-E717 WeakPolarHBondContact CB-OE2 3.42Å; A715-D718 WeakPolarHBondContact CB-OD2 3.29Å; A715-D718 PolarHBondContact N-OD2 2.91Å; A715-R719 PolarHBondContact O-NE 2.75Å
716	I	86.4	Confident	88.3	Confident	114 Å²	114	42.4 Å²	42.4	59%	0.585	23%	0.225	S	C	*	.	H	α-helix	trans	-76.3	-39.2	178.1	-64.2	173.8	0	0	0	109	D718 R719 T720	I716-D718 PolarHBondContact O-N 2.91Å; I716-R719 PolarHBondContact O-N 2.83Å; I716-T720 PolarHBondContact O-N 3.42Å; I716-T720 PolarHBondContact O-OG1 3.49Å; I716-T720 VanDerWaalsContact O-OG1 3.07Å
717	E	87.4	Confident	88.1	Confident	102 Å²	102	42.4 Å²	42.4	48%	0.477	23%	0.225	S	C	.	.	H	α-helix	trans	-61.2	-41.5	179.7	-57.2	72.2	-161.8	0	0	111.9	A715 T720 L721	A715-E717 WeakPolarHBondContact CB-OE2 3.42Å; E717-T720 PolarHBondContact O-N 2.77Å; E717-L721 PolarHBondContact O-N 3.12Å
718	D	89.6	Confident	88.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.7	-46.8	175.8	-59.8	-46.7	0	0	0	110.8	Y679 R686 R690 A715 I716 T720 L721 M722	Y679-D718 VanDerWaalsContact CE1-OD1 3.3Å; Y679-D718 WeakPolarHBondContact CE1-OD1 3.45Å; Y679-D718 PolarHBondContact OH-OD1 3.26Å; R686-D718 IonicContact CZ-OD2 3.54Å; R686-D718 IonicContact NH1-OD1 2.7Å; R686-D718 PolarHBondContact NH1-OD1 3.48Å; R686-D718 IonicContact NH1-OD2 3.71Å; R686-D718 PolarHBondContact NH1-OD2 2.79Å; R690-D718 IonicContact NH1-OD1 3.55Å; R690-D718 PolarHBondContact NH1-OD1 3.4Å; A715-D718 WeakPolarHBondContact CB-OD2 3.29Å; A715-D718 PolarHBondContact N-OD2 2.91Å; I716-D718 PolarHBondContact O-N 2.91Å; D718-T720 VanDerWaalsContact C-N 3.28Å; D718-T720 PolarHBondContact O-N 3.19Å; D718-L721 WeakPolarHBondContact O-CB 3.36Å; D718-L721 PolarHBondContact O-N 2.96Å; D718-M722 VanDerWaalsContact O-CG 3.3Å; D718-M722 WeakPolarHBondContact O-CG 3.31Å; D718-M722 PolarHBondContact O-N 2.94Å
719	R	88.2	Confident	88.2	Confident	56 Å²	56	46.8 Å²	46.8	21%	0.211	24%	0.241	C	C	.	.	H	α-helix	trans	-67.6	-28.1	177.9	-71.4	178.4	-76	162	-7.7	112.5	G712 T713 S714 A715 I716 K723 N748	G712-R719 WeakPolarHBondContact O-CG 3.42Å; T713-R719 WeakPolarHBondContact O-CD 3.27Å; T713-R719 PolarHBondContact O-NE 2.96Å; S714-R719 PolarHBondContact O-NE 3.15Å; S714-R719 PolarHBondContact O-NH2 3.27Å; A715-R719 PolarHBondContact O-NE 2.75Å; I716-R719 PolarHBondContact O-N 2.83Å; R719-K723 WeakPolarHBondContact O-CB 3.42Å; R719-K723 WeakPolarHBondContact O-CG 3.33Å; R719-K723 PolarHBondContact O-N 3.41Å; R719-N748 WeakPolarHBondContact CD-OD1 3.47Å; R719-N748 PolarHBondContact NH1-OD1 2.83Å; R719-N748 VanDerWaalsContact NH1-OD1 3.08Å
720	T	87.5	Confident	88.4	Confident	70 Å²	70	46.6 Å²	46.6	43%	0.429	24%	0.24	S	C	.	.	H	α-helix	trans	-71.1	-41.3	171.4	-63.9	0	0	0	0	111.5	I716 E717 D718 M722 K723 R724	I716-T720 PolarHBondContact O-N 3.42Å; I716-T720 PolarHBondContact O-OG1 3.49Å; I716-T720 VanDerWaalsContact O-OG1 3.07Å; E717-T720 PolarHBondContact O-N 2.77Å; D718-T720 VanDerWaalsContact C-N 3.28Å; D718-T720 PolarHBondContact O-N 3.19Å; T720-M722 PolarHBondContact O-N 3.5Å; T720-K723 PolarHBondContact O-N 3.1Å; T720-R724 WeakPolarHBondContact O-CB 3.5Å; T720-R724 PolarHBondContact O-N 3.2Å
721	L	87	Confident	88.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-56.4	-51.7	171.7	-179.6	76	0	0	0	110.9	Y679 R690 I693 Y694 L705 E717 D718 K723 R724 V725	Y679-L721 HydrophobicContact CD2-CD2 4.22Å; Y679-L721 HydrophobicContact CE2-CD2 3.72Å; R690-L721 HydrophobicContact CG-CB 4.42Å; R690-L721 HydrophobicContact CG-CD1 4.35Å; R690-L721 HydrophobicContact CG-CD2 4.12Å; I693-L721 HydrophobicContact CB-CD1 4.13Å; I693-L721 HydrophobicContact CD1-CD1 3.99Å; I693-L721 HydrophobicContact CD1-CD2 4.04Å; I693-L721 HydrophobicContact CG2-CD1 3.83Å; Y694-L721 HydrophobicContact CD1-CD1 4.41Å; Y694-L721 HydrophobicContact CE1-CD1 3.7Å; L705-L721 HydrophobicContact CD1-CD2 4.47Å; E717-L721 PolarHBondContact O-N 3.12Å; D718-L721 WeakPolarHBondContact O-CB 3.36Å; D718-L721 PolarHBondContact O-N 2.96Å; L721-K723 PolarHBondContact O-N 2.85Å; L721-K723 VanDerWaalsContact O-N 3.15Å; L721-R724 PolarHBondContact O-N 3.42Å; L721-V725 HydrophobicContact CD1-CG2 4.15Å; L721-V725 HydrophobicContact CG-CG2 4.46Å; L721-V725 PolarHBondContact O-N 2.83Å
722	M	88.7	Confident	89.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.7	-10.2	-178.8	-57.2	-64.7	172.5	0	0	114.4	L652 Y679 L705 T707 D718 T720 F727 F752 R753	L652-M722 HydrophobicContact CD1-CE 4.49Å; L652-M722 HydrophobicContact CD1-SD 4.02Å; L652-M722 HydrophobicContact CD2-SD 4.34Å; Y679-M722 HydrophobicContact CD1-CE 4.18Å; Y679-M722 HydrophobicContact CE1-CE 4.48Å; L705-M722 HydrophobicContact CD1-CE 4.5Å; L705-M722 HydrophobicContact CD2-CE 3.85Å; T707-M722 HydrophobicContact CG2-CE 4.04Å; D718-M722 VanDerWaalsContact O-CG 3.3Å; D718-M722 WeakPolarHBondContact O-CG 3.31Å; D718-M722 PolarHBondContact O-N 2.94Å; T720-M722 PolarHBondContact O-N 3.5Å; M722-F727 HydrophobicContact SD-CE2 4Å; M722-F727 HydrophobicContact SD-CZ 4.04Å; M722-F752 HydrophobicContact CB-CD1 3.74Å; M722-F752 HydrophobicContact CB-CD2 3.79Å; M722-F752 HydrophobicContact CB-CE1 3.61Å; M722-F752 HydrophobicContact CB-CE2 3.64Å; M722-F752 HydrophobicContact CB-CG 3.83Å; M722-F752 HydrophobicContact CB-CZ 3.56Å; M722-F752 HydrophobicContact CG-CD2 4.23Å; M722-F752 HydrophobicContact CG-CE1 4.19Å; M722-F752 HydrophobicContact CG-CE2 3.66Å; M722-F752 HydrophobicContact CG-CZ 3.64Å; M722-F752 HydrophobicContact SD-CE2 4.24Å; M722-R753 PolarHBondContact O-N 3.38Å
723	K	87	Confident	89.5	Confident	102 Å²	102	43.2 Å²	43.2	44%	0.443	21%	0.213	S	C	.	.	H	α-helix	trans	-96.9	-22.8	169.8	-77.9	175.3	175.3	-167.8	0	113.5	R719 T720 L721 R753	R719-K723 WeakPolarHBondContact O-CB 3.42Å; R719-K723 WeakPolarHBondContact O-CG 3.33Å; R719-K723 PolarHBondContact O-N 3.41Å; T720-K723 PolarHBondContact O-N 3.1Å; L721-K723 PolarHBondContact O-N 2.85Å; L721-K723 VanDerWaalsContact O-N 3.15Å; K723-R753 WeakPolarHBondContact O-CD 3.45Å; K723-R753 WeakPolarHBondContact O-CG 3.38Å; K723-R753 PolarHBondContact O-NE 2.85Å
724	R	86.1	Confident	89.5	Confident	137 Å²	137	43 Å²	43	52%	0.517	21%	0.211	S	C	.	.	H	α-helix	trans	-86.2	-42.1	179.8	-172	177.3	178	-170	-2.2	111.6	Y694 T720 L721	Y694-R724 VanDerWaalsContact CG-NH1 3.28Å; T720-R724 WeakPolarHBondContact O-CB 3.5Å; T720-R724 PolarHBondContact O-N 3.2Å; L721-R724 PolarHBondContact O-N 3.42Å
725	V	87.2	Confident	89.9	Confident	17 Å²	17	40.1 Å²	40.1	10%	0.103	19%	0.191	C	C	.	.	S	Bend	trans	-75	125.5	177.4	-177.1	0	0	0	0	109.9	P650 I693 L721 F727	P650-V725 HydrophobicContact CG-CG1 4.1Å; I693-V725 HydrophobicContact CG2-CG2 4.03Å; L721-V725 HydrophobicContact CD1-CG2 4.15Å; L721-V725 HydrophobicContact CG-CG2 4.46Å; L721-V725 PolarHBondContact O-N 2.83Å; V725-F727 HydrophobicContact CB-CD2 4.33Å; V725-F727 HydrophobicContact CB-CE1 4.31Å; V725-F727 HydrophobicContact CB-CE2 3.76Å; V725-F727 HydrophobicContact CB-CZ 3.75Å; V725-F727 HydrophobicContact CG1-CD1 3.89Å; V725-F727 HydrophobicContact CG1-CD2 4.16Å; V725-F727 HydrophobicContact CG1-CE1 3.56Å; V725-F727 HydrophobicContact CG1-CE2 3.84Å; V725-F727 HydrophobicContact CG1-CG 4.2Å; V725-F727 HydrophobicContact CG1-CZ 3.54Å; V725-F727 HydrophobicContact CG2-CZ 4.48Å; V725-F727 PolarHBondContact O-N 3.06Å
726	N	89.7	Confident	89.7	Confident	95 Å²	95	40.4 Å²	40.4	51%	0.508	19%	0.187	S	C	.	.			trans	-89.8	92.6	176.9	-65.5	-27.8	0	0	0	109.7	R753	N726-R753 WeakPolarHBondContact OD1-CD 3.4Å; N726-R753 PolarHBondContact OD1-NH1 2.78Å
727	F	92.7	Very high	89.6	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	133	-179.5	-60.2	-80.5	0	0	0	111.9	P650 L652 F702 L705 M722 V725 R753 V754 Q755	P650-F727 HydrophobicContact CB-CD1 4.09Å; P650-F727 HydrophobicContact CB-CE1 4.47Å; P650-F727 HydrophobicContact CG-CD1 4.38Å; P650-F727 CarbonylContact O-C 3.56Å; P650-F727 WeakPolarHBondContact O-CA 3.38Å; L652-F727 HydrophobicContact CB-CB 4.18Å; L652-F727 HydrophobicContact CB-CD1 3.65Å; L652-F727 HydrophobicContact CB-CD2 4.1Å; L652-F727 HydrophobicContact CB-CE1 3.93Å; L652-F727 HydrophobicContact CB-CE2 4.36Å; L652-F727 HydrophobicContact CB-CG 3.72Å; L652-F727 HydrophobicContact CB-CZ 4.27Å; L652-F727 HydrophobicContact CD1-CE1 4.34Å; L652-F727 HydrophobicContact CD1-CE2 4.46Å; L652-F727 HydrophobicContact CD1-CZ 4.11Å; L652-F727 HydrophobicContact CD2-CD2 4Å; L652-F727 HydrophobicContact CD2-CE2 3.98Å; L652-F727 HydrophobicContact CD2-CG 4.46Å; L652-F727 HydrophobicContact CD2-CZ 4.43Å; F702-F727 HydrophobicContact CE2-CE1 4.34Å; L705-F727 HydrophobicContact CB-CE1 4.07Å; L705-F727 HydrophobicContact CD1-CE1 4.5Å; L705-F727 HydrophobicContact CD1-CZ 4.28Å; M722-F727 HydrophobicContact SD-CE2 4Å; M722-F727 HydrophobicContact SD-CZ 4.04Å; V725-F727 HydrophobicContact CB-CD2 4.33Å; V725-F727 HydrophobicContact CB-CE1 4.31Å; V725-F727 HydrophobicContact CB-CE2 3.76Å; V725-F727 HydrophobicContact CB-CZ 3.75Å; V725-F727 HydrophobicContact CG1-CD1 3.89Å; V725-F727 HydrophobicContact CG1-CD2 4.16Å; V725-F727 HydrophobicContact CG1-CE1 3.56Å; V725-F727 HydrophobicContact CG1-CE2 3.84Å; V725-F727 HydrophobicContact CG1-CG 4.2Å; V725-F727 HydrophobicContact CG1-CZ 3.54Å; V725-F727 HydrophobicContact CG2-CZ 4.48Å; V725-F727 PolarHBondContact O-N 3.06Å; F727-R753 PolarHBondContact N-O 3.48Å; F727-V754 HydrophobicContact CB-CG2 4.32Å; F727-V754 HydrophobicContact CD2-CG2 4.48Å; F727-V754 WeakPolarHBondContact O-CA 3.37Å; F727-Q755 PolarHBondContact O-N 3.38Å
728	R	92.5	Very high	89.4	Confident	90 Å²	90	32.1 Å²	32.1	34%	0.34	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-35.2	178.5	-176.7	148	167.8	-155.7	-3.7	112.8	H615 N647 P650 R756	H615-R728 PolarHBondContact NE2-NH2 2.81Å; N647-R728 VanDerWaalsContact CG-NH1 3.34Å; N647-R728 VanDerWaalsContact ND2-CZ 3.33Å; N647-R728 PolarHBondContact ND2-NE 3.01Å; N647-R728 WeakPolarHBondContact OD1-CD 3.47Å; N647-R728 PolarHBondContact OD1-NE 3.27Å; N647-R728 PolarHBondContact OD1-NH1 3.19Å; P650-R728 PolarHBondContact O-N 2.9Å; R728-R756 WeakPolarHBondContact O-CB 3.24Å; R728-R756 PolarHBondContact O-N 3.06Å
729	Y	94.8	Very high	88.9	Confident	6 Å²	6	33.4 Å²	33.4	2%	0.024	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.3	165.6	-92.2	-95.4	0	0	0	110.8	H615 F638 L642 H651 L652 R756	H615-Y729 WeakPolarHBondContact CB-OH 3.4Å; H615-Y729 AromaticContact CD2-CE2 3.71Å; H615-Y729 PolarHBondContact CD2-OH 2.77Å; F638-Y729 AromaticContact CE1-CD1 3.89Å; F638-Y729 HydrophobicContact CE1-CD1 3.89Å; F638-Y729 HydrophobicContact CE1-CD2 4.44Å; F638-Y729 AromaticContact CE1-CE1 3.53Å; F638-Y729 HydrophobicContact CE1-CE1 3.53Å; F638-Y729 HydrophobicContact CE1-CE2 4.13Å; F638-Y729 HydrophobicContact CE1-CG 4.34Å; F638-Y729 AromaticContact CE1-CZ 3.68Å; F638-Y729 AromaticContact CZ-CE1 3.81Å; F638-Y729 HydrophobicContact CZ-CE1 3.81Å; F638-Y729 HydrophobicContact CZ-CE2 4.01Å; F638-Y729 AromaticContact CZ-CZ 3.52Å; L642-Y729 HydrophobicContact CD1-CD2 3.63Å; L642-Y729 HydrophobicContact CD1-CE2 3.68Å; L642-Y729 HydrophobicContact CD1-CG 4.39Å; H651-Y729 CarbonylContact C-O 3.43Å; H651-Y729 WeakPolarHBondContact CA-O 3.37Å; L652-Y729 PolarHBondContact N-O 2.86Å; Y729-R756 CarbonylContact C-O 3.54Å; Y729-R756 WeakPolarHBondContact CA-O 3.27Å; Y729-R756 HydrophobicContact CD1-CB 3.52Å; Y729-R756 HydrophobicContact CD2-CB 3.86Å; Y729-R756 HydrophobicContact CD2-CG 4.23Å; Y729-R756 HydrophobicContact CE1-CB 3.3Å; Y729-R756 HydrophobicContact CE1-CG 4.05Å; Y729-R756 HydrophobicContact CE2-CB 3.65Å; Y729-R756 HydrophobicContact CE2-CG 3.67Å; Y729-R756 HydrophobicContact CG-CB 3.78Å
730	G	95.1	Very high	88.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.6	162.4	0	0	0	0	0	109	L652 F732 V754 R756 R757 L758	L652-G730 CarbonylContact O-C 3.58Å; L652-G730 WeakPolarHBondContact O-CA 3.43Å; G730-F732 WeakPolarHBondContact O-CD2 3.12Å; G730-F732 VanDerWaalsContact O-CE2 3.26Å; G730-F732 WeakPolarHBondContact O-CE2 3.23Å; G730-V754 VanDerWaalsContact N-CG1 3.3Å; G730-R756 PolarHBondContact N-O 3.17Å; G730-R757 WeakPolarHBondContact O-CA 3.36Å; G730-L758 PolarHBondContact O-N 3.48Å
731	I	96.5	Very high	88.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.1	174	-52.5	-174.8	0	0	0	107.3	A635 L639 L652 I653 I654 W663 L758 L760	A635-I731 HydrophobicContact CB-CD1 4.27Å; L639-I731 HydrophobicContact CD1-CD1 3.83Å; L639-I731 HydrophobicContact CD2-CD1 4.03Å; L639-I731 HydrophobicContact CG-CD1 3.91Å; L652-I731 PolarHBondContact O-N 2.69Å; I653-I731 WeakPolarHBondContact CA-O 3.4Å; I653-I731 HydrophobicContact CG1-CB 4.32Å; I654-I731 PolarHBondContact N-O 3.16Å; W663-I731 HydrophobicContact CH2-CG2 4.45Å; I731-L758 WeakPolarHBondContact CA-O 3.04Å; I731-L758 HydrophobicContact CD1-CD2 4.39Å; I731-L758 HydrophobicContact CG1-CB 4.4Å; I731-L758 HydrophobicContact CG1-CD2 4.39Å; I731-L758 HydrophobicContact CG2-CD2 4.48Å; I731-L760 HydrophobicContact CG2-CD1 3.69Å; I731-L760 HydrophobicContact CG2-CD2 4.43Å; I731-L760 HydrophobicContact CG2-CG 3.92Å
732	F	95.3	Very high	87.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	104.1	-177.3	-56.3	-98.8	0	0	0	108.2	I654 Y709 G730 L738 L749 R757 L758 L759 L760 F778	I654-F732 HydrophobicContact CB-CD1 4.19Å; I654-F732 HydrophobicContact CD1-CD1 3.94Å; I654-F732 HydrophobicContact CD1-CE1 3.59Å; I654-F732 HydrophobicContact CG1-CD1 4.24Å; I654-F732 HydrophobicContact CG1-CE1 4.23Å; I654-F732 WeakPolarHBondContact O-CA 3.37Å; Y709-F732 HydrophobicContact CE1-CD1 4.41Å; G730-F732 WeakPolarHBondContact O-CD2 3.12Å; G730-F732 VanDerWaalsContact O-CE2 3.26Å; G730-F732 WeakPolarHBondContact O-CE2 3.23Å; F732-L738 HydrophobicContact CB-CD1 4.41Å; F732-L749 HydrophobicContact CE1-CD2 4.43Å; F732-R757 HydrophobicContact CE2-CB 4.42Å; F732-R757 HydrophobicContact CE2-CG 4.2Å; F732-L758 PolarHBondContact N-O 3.08Å; F732-L759 HydrophobicContact CB-CD2 3.67Å; F732-L759 HydrophobicContact CD2-CD2 4.02Å; F732-L759 HydrophobicContact CG-CD2 4.09Å; F732-L760 PolarHBondContact O-N 2.87Å; F732-F778 HydrophobicContact CD1-CE1 4.1Å; F732-F778 HydrophobicContact CD1-CZ 4.08Å; F732-F778 AromaticContact CD2-CE1 3.87Å; F732-F778 HydrophobicContact CD2-CE1 3.87Å; F732-F778 AromaticContact CE1-CE1 3.94Å; F732-F778 HydrophobicContact CE1-CE1 3.94Å; F732-F778 AromaticContact CE1-CZ 3.65Å; F732-F778 HydrophobicContact CE1-CZ 3.65Å; F732-F778 AromaticContact CE2-CE1 3.72Å; F732-F778 HydrophobicContact CE2-CE1 3.72Å; F732-F778 HydrophobicContact CE2-CZ 4.18Å; F732-F778 HydrophobicContact CG-CE1 4.07Å; F732-F778 AromaticContact CZ-CE1 3.76Å; F732-F778 HydrophobicContact CZ-CE1 3.76Å; F732-F778 AromaticContact CZ-CZ 3.72Å; F732-F778 HydrophobicContact CZ-CZ 3.72Å
733	D	93.8	Very high	87.4	Confident	10 Å²	10	37 Å²	37	5%	0.053	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	151.1	-178.1	-168.5	28.1	0	0	0	112.3	I654 C655 W663 Y709 A735 L760	I654-D733 PolarHBondContact O-N 2.86Å; C655-D733 HydrophobicContact CB-CB 4.04Å; W663-D733 HydrophobicContact CZ2-CB 3.89Å; W663-D733 PolarHBondContact NE1-OD2 2.94Å; Y709-D733 VanDerWaalsContact CE2-O 3.25Å; Y709-D733 WeakPolarHBondContact CE2-O 3.29Å; Y709-D733 PolarHBondContact OH-O 3.47Å; D733-A735 VanDerWaalsContact C-N 3.27Å; D733-A735 PolarHBondContact O-N 2.79Å; D733-L760 HydrophobicContact CB-CD1 4.34Å
734	E	88.4	Confident	87.3	Confident	14 Å²	14	37.1 Å²	37.1	7%	0.065	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.2	51.4	-167.7	-72.5	-62.3	168.2	0	0	112.6	P656 H736 M737 L760 Q1123	P656-E734 HydrophobicContact CG-CB 3.77Å; P656-E734 HydrophobicContact CG-CG 4.09Å; E734-H736 PolarHBondContact O-N 3.23Å; E734-H736 IonicContact OE2-CE1 2.73Å; E734-H736 PolarHBondContact OE2-CE1 3.3Å; E734-H736 VanDerWaalsContact OE2-CE1 3.28Å; E734-H736 IonicContact OE2-ND1 2.73Å; E734-H736 PolarHBondContact OE2-ND1 3.44Å; E734-M737 WeakPolarHBondContact O-CB 3.31Å; E734-M737 WeakPolarHBondContact O-CG 3.42Å; E734-M737 PolarHBondContact O-N 3.2Å; E734-L760 PolarHBondContact N-O 2.85Å; E734-Q1123 PolarHBondContact OE2-NE2 3.31Å
735	A	88.8	Confident	87.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-58.5	-8.5	-175.1	0	0	0	0	0	114.9	D733 M737 L738 L759 L760 L775	D733-A735 VanDerWaalsContact C-N 3.27Å; D733-A735 PolarHBondContact O-N 2.79Å; A735-M737 PolarHBondContact O-N 2.83Å; A735-M737 VanDerWaalsContact O-N 3.1Å; A735-L738 HydrophobicContact CB-CD1 4.45Å; A735-L738 VanDerWaalsContact O-CB 3.31Å; A735-L738 WeakPolarHBondContact O-CB 3.3Å; A735-L738 PolarHBondContact O-N 3.14Å; A735-L759 HydrophobicContact CB-CB 3.76Å; A735-L759 HydrophobicContact CB-CD1 4.11Å; A735-L759 HydrophobicContact CB-CD2 3.91Å; A735-L759 HydrophobicContact CB-CG 4.13Å; A735-L760 WeakPolarHBondContact CB-O 3.46Å; A735-L760 PolarHBondContact N-O 3.41Å; A735-L775 WeakPolarHBondContact O-CD2 3.45Å
736	H	81.8	Confident	87.5	Confident	35 Å²	35	34.3 Å²	34.3	16%	0.162	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-52.6	-25.6	164.1	79.8	-105.9	0	0	0	112.1	E734 L738 K739	E734-H736 PolarHBondContact O-N 3.23Å; E734-H736 IonicContact OE2-CE1 2.73Å; E734-H736 PolarHBondContact OE2-CE1 3.3Å; E734-H736 VanDerWaalsContact OE2-CE1 3.28Å; E734-H736 IonicContact OE2-ND1 2.73Å; E734-H736 PolarHBondContact OE2-ND1 3.44Å; H736-L738 PolarHBondContact O-N 2.61Å; H736-L738 VanDerWaalsContact O-N 3.14Å; H736-K739 VanDerWaalsContact O-CB 3.31Å; H736-K739 WeakPolarHBondContact O-CB 3.31Å; H736-K739 WeakPolarHBondContact O-CD 3.45Å; H736-K739 VanDerWaalsContact O-CG 3.24Å; H736-K739 WeakPolarHBondContact O-CG 3.43Å; H736-K739 PolarHBondContact O-N 2.96Å
737	M	82.8	Confident	87.4	Confident	43 Å²	43	36.7 Å²	36.7	21%	0.212	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-64.7	-8	172.4	-68.8	-170.7	69.1	0	0	114.8	P656 Y709 E734 A735 R745	P656-M737 HydrophobicContact CB-SD 4.38Å; P656-M737 HydrophobicContact CG-SD 3.89Å; Y709-M737 HydrophobicContact CD2-CB 4.38Å; Y709-M737 HydrophobicContact CD2-CE 3.69Å; Y709-M737 HydrophobicContact CD2-SD 3.43Å; Y709-M737 WeakPolarHBondContact CD2-SD 3.3Å; Y709-M737 HydrophobicContact CE2-CB 3.99Å; Y709-M737 HydrophobicContact CE2-CE 4.38Å; Y709-M737 HydrophobicContact CE2-CG 4.3Å; Y709-M737 HydrophobicContact CE2-SD 3.62Å; Y709-M737 HydrophobicContact CG-CE 4.16Å; Y709-M737 HydrophobicContact CG-SD 4.42Å; E734-M737 WeakPolarHBondContact O-CB 3.31Å; E734-M737 WeakPolarHBondContact O-CG 3.42Å; E734-M737 PolarHBondContact O-N 3.2Å; A735-M737 PolarHBondContact O-N 2.83Å; A735-M737 VanDerWaalsContact O-N 3.1Å; M737-R745 PolarHBondContact O-NH1 2.9Å
738	L	85	Confident	87.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-102.5	-2.7	177.8	-54.4	-179.3	0	0	0	113.9	Y709 F732 A735 H736 N740 Y746 L749 L759 L775 F778	Y709-L738 HydrophobicContact CE1-CD2 4.01Å; F732-L738 HydrophobicContact CB-CD1 4.41Å; A735-L738 HydrophobicContact CB-CD1 4.45Å; A735-L738 VanDerWaalsContact O-CB 3.31Å; A735-L738 WeakPolarHBondContact O-CB 3.3Å; A735-L738 PolarHBondContact O-N 3.14Å; H736-L738 PolarHBondContact O-N 2.61Å; H736-L738 VanDerWaalsContact O-N 3.14Å; L738-N740 PolarHBondContact O-N 2.88Å; L738-Y746 HydrophobicContact CB-CD2 4.43Å; L738-Y746 WeakPolarHBondContact O-CD2 3.29Å; L738-L749 HydrophobicContact CD2-CD1 3.43Å; L738-L749 VanDerWaalsContact CD2-CD1 3.43Å; L738-L759 HydrophobicContact CD1-CD2 3.79Å; L738-L775 HydrophobicContact CB-CD2 4.01Å; L738-F778 HydrophobicContact CD1-CD1 3.82Å; L738-F778 HydrophobicContact CD1-CD2 4.33Å; L738-F778 HydrophobicContact CD1-CE1 3.8Å; L738-F778 HydrophobicContact CD1-CE2 4.32Å; L738-F778 HydrophobicContact CD1-CG 4.09Å; L738-F778 HydrophobicContact CD1-CZ 4.06Å
739	K	78.5	Confident	87.1	Confident	27 Å²	27	33.5 Å²	33.5	12%	0.117	16%	0.159	C	C	.	.			trans	-61.9	6	-167	75.9	-176.2	-159	152.9	0	118.3	H736 N767 E771 S774 S1239	H736-K739 VanDerWaalsContact O-CB 3.31Å; H736-K739 WeakPolarHBondContact O-CB 3.31Å; H736-K739 WeakPolarHBondContact O-CD 3.45Å; H736-K739 VanDerWaalsContact O-CG 3.24Å; H736-K739 WeakPolarHBondContact O-CG 3.43Å; H736-K739 PolarHBondContact O-N 2.96Å; K739-N767 PolarHBondContact NZ-ND2 3.07Å; K739-N767 VanDerWaalsContact NZ-ND2 3.16Å; K739-E771 HydrophobicContact CB-CB 4.04Å; K739-E771 HydrophobicContact CB-CG 4.12Å; K739-E771 HydrophobicContact CD-CG 4.36Å; K739-E771 WeakPolarHBondContact CD-OE1 3.47Å; K739-E771 VanDerWaalsContact CE-OE1 3.24Å; K739-E771 WeakPolarHBondContact CE-OE1 3.23Å; K739-E771 HydrophobicContact CG-CG 4.44Å; K739-E771 IonicContact NZ-OE1 3.91Å; K739-E771 PolarHBondContact NZ-OE1 3.48Å; K739-S774 VanDerWaalsContact CA-OG 3.3Å; K739-S774 WeakPolarHBondContact CA-OG 3.35Å; K739-S774 PolarHBondContact O-OG 3.4Å; K739-S1239 WeakPolarHBondContact CE-OG 3.43Å
740	N	79.1	Confident	86.8	Confident	71 Å²	71	35 Å²	35	38%	0.38	17%	0.167	S	C	.	.			trans	-138.8	110.7	176.4	173.5	13.6	0	0	0	110.4	L738 T742 S743	L738-N740 PolarHBondContact O-N 2.88Å; N740-T742 VanDerWaalsContact C-N 3.26Å; N740-T742 PolarHBondContact ND2-OG1 2.95Å; N740-T742 VanDerWaalsContact ND2-OG1 3.11Å; N740-T742 PolarHBondContact O-N 2.96Å; N740-T742 PolarHBondContact OD1-N 2.97Å; N740-T742 PolarHBondContact OD1-OG1 2.88Å; N740-S743 WeakPolarHBondContact O-CB 3.03Å; N740-S743 PolarHBondContact O-N 2.89Å; N740-S743 PolarHBondContact O-OG 3.36Å
741	M	78.9	Confident	86.4	Confident	14 Å²	14	39.6 Å²	39.6	7%	0.069	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.9	-178.4	72.5	-87	-80.5	0	0	115.1	S743 Y746 L770 I773 K792	M741-S743 VanDerWaalsContact C-N 3.32Å; M741-Y746 HydrophobicContact CB-CD1 3.87Å; M741-Y746 HydrophobicContact CB-CD2 4.25Å; M741-Y746 HydrophobicContact CB-CE1 3.66Å; M741-Y746 HydrophobicContact CB-CE2 4.01Å; M741-Y746 HydrophobicContact CB-CG 4.18Å; M741-L770 HydrophobicContact CE-CD1 4.07Å; M741-L770 HydrophobicContact SD-CD1 4.4Å; M741-L770 HydrophobicContact SD-CD2 4.28Å; M741-I773 HydrophobicContact CE-CG2 4.44Å; M741-K792 HydrophobicContact CE-CD 4.38Å; M741-K792 HydrophobicContact CE-CG 3.99Å; M741-K792 HydrophobicContact CG-CD 3.94Å; M741-K792 HydrophobicContact SD-CD 3.76Å; M741-K792 HydrophobicContact SD-CG 3.74Å
742	T	77.7	Confident	86.1	Confident	84 Å²	84	40 Å²	40	52%	0.515	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-21	174.8	72.3	0	0	0	0	112.3	N740 R747	N740-T742 VanDerWaalsContact C-N 3.26Å; N740-T742 PolarHBondContact ND2-OG1 2.95Å; N740-T742 VanDerWaalsContact ND2-OG1 3.11Å; N740-T742 PolarHBondContact O-N 2.96Å; N740-T742 PolarHBondContact OD1-N 2.97Å; N740-T742 PolarHBondContact OD1-OG1 2.88Å; T742-R747 PolarHBondContact O-NE 2.97Å; T742-R747 PolarHBondContact O-NH2 3.18Å
743	S	83.2	Confident	85.7	Confident	31 Å²	31	46.8 Å²	46.8	22%	0.217	22%	0.219	C	C	.	.	S	Bend	trans	-59.3	143.2	-177.1	71.2	0	0	0	0	112.2	N740 M741 R745 Y746 R747	N740-S743 WeakPolarHBondContact O-CB 3.03Å; N740-S743 PolarHBondContact O-N 2.89Å; N740-S743 PolarHBondContact O-OG 3.36Å; M741-S743 VanDerWaalsContact C-N 3.32Å; S743-R745 PolarHBondContact O-N 2.77Å; S743-Y746 PolarHBondContact O-N 3.08Å; S743-Y746 VanDerWaalsContact OG-CB 3.23Å; S743-Y746 WeakPolarHBondContact OG-CB 3.46Å; S743-Y746 PolarHBondContact OG-N 3.26Å; S743-R747 PolarHBondContact O-N 3.29Å; S743-R747 VanDerWaalsContact O-N 3.08Å
744	Q	85.1	Confident	85.6	Confident	106 Å²	106	47.2 Å²	47.2	50%	0.495	22%	0.221	S	C	.	.	H	α-helix	trans	-63.2	-33.5	177.4	-167.8	-178.3	12.1	0	0	111.4	R747 N748	Q744-R747 PolarHBondContact O-N 2.97Å; Q744-N748 VanDerWaalsContact O-CB 3.29Å; Q744-N748 WeakPolarHBondContact O-CB 3.49Å; Q744-N748 VanDerWaalsContact O-CG 3.31Å; Q744-N748 PolarHBondContact O-N 2.93Å; Q744-N748 PolarHBondContact O-ND2 3.2Å
745	R	88.5	Confident	85.7	Confident	83 Å²	83	52.2 Å²	52.2	31%	0.313	25%	0.245	S	C	.	.	H	α-helix	trans	-56.7	-56.1	172	-174.1	-170.7	-62.8	141.3	-1.5	111.2	Y709 T713 M737 S743 R747 N748 L749	Y709-R745 HydrophobicContact CD1-CG 4.46Å; T713-R745 HydrophobicContact CG2-CG 4.34Å; M737-R745 PolarHBondContact O-NH1 2.9Å; S743-R745 PolarHBondContact O-N 2.77Å; R745-R747 VanDerWaalsContact C-N 3.34Å; R745-R747 PolarHBondContact O-N 2.81Å; R745-N748 PolarHBondContact O-N 3.4Å; R745-L749 HydrophobicContact CG-CD1 3.81Å; R745-L749 HydrophobicContact CG-CG 4.43Å; R745-L749 WeakPolarHBondContact O-CB 3.44Å; R745-L749 VanDerWaalsContact O-CG 3.27Å; R745-L749 WeakPolarHBondContact O-CG 3.28Å; R745-L749 PolarHBondContact O-N 3.4Å
746	Y	89	Confident	85.8	Confident	12 Å²	12	54.5 Å²	54.5	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-55.3	-50.3	178.3	-176.9	-78.6	0	0	0	111	L738 M741 S743 N748 L749 M750 S774 S777 F778	L738-Y746 HydrophobicContact CB-CD2 4.43Å; L738-Y746 WeakPolarHBondContact O-CD2 3.29Å; M741-Y746 HydrophobicContact CB-CD1 3.87Å; M741-Y746 HydrophobicContact CB-CD2 4.25Å; M741-Y746 HydrophobicContact CB-CE1 3.66Å; M741-Y746 HydrophobicContact CB-CE2 4.01Å; M741-Y746 HydrophobicContact CB-CG 4.18Å; S743-Y746 PolarHBondContact O-N 3.08Å; S743-Y746 VanDerWaalsContact OG-CB 3.23Å; S743-Y746 WeakPolarHBondContact OG-CB 3.46Å; S743-Y746 PolarHBondContact OG-N 3.26Å; Y746-N748 PolarHBondContact O-N 3.45Å; Y746-L749 PolarHBondContact O-N 3.44Å; Y746-M750 HydrophobicContact CE1-CB 4.44Å; Y746-M750 HydrophobicContact CE1-CG 4.44Å; Y746-M750 HydrophobicContact CE1-SD 4.31Å; Y746-M750 VanDerWaalsContact O-CB 3.27Å; Y746-M750 WeakPolarHBondContact O-CB 3.23Å; Y746-M750 PolarHBondContact O-N 3.05Å; Y746-S774 WeakPolarHBondContact CE2-O 3.45Å; Y746-S774 PolarHBondContact OH-O 2.77Å; Y746-S777 WeakPolarHBondContact OH-CB 3.25Å; Y746-F778 HydrophobicContact CD2-CD2 4.1Å; Y746-F778 HydrophobicContact CE2-CB 3.83Å; Y746-F778 AromaticContact CE2-CD2 3.83Å; Y746-F778 HydrophobicContact CE2-CD2 3.83Å; Y746-F778 HydrophobicContact CE2-CG 4.28Å; Y746-F778 PolarHBondContact OH-N 2.98Å
747	R	87	Confident	86.4	Confident	144 Å²	144	53.5 Å²	53.5	54%	0.543	25%	0.248	S	C	.	.	H	α-helix	trans	-63	-38	-179.7	-71.4	-174.5	-77.3	141.2	-7.1	113.2	T742 S743 Q744 R745 N751	T742-R747 PolarHBondContact O-NE 2.97Å; T742-R747 PolarHBondContact O-NH2 3.18Å; S743-R747 PolarHBondContact O-N 3.29Å; S743-R747 VanDerWaalsContact O-N 3.08Å; Q744-R747 PolarHBondContact O-N 2.97Å; R745-R747 VanDerWaalsContact C-N 3.34Å; R745-R747 PolarHBondContact O-N 2.81Å; R747-N751 PolarHBondContact O-ND2 3.36Å
748	N	88.8	Confident	87	Confident	23 Å²	23	51.5 Å²	51.5	12%	0.123	24%	0.239	C	C	.	.	H	α-helix	trans	-65.6	-48.8	175.1	-80.8	-27.6	0	0	0	111.3	T713 R719 Q744 R745 Y746 N751 F752	T713-N748 HydrophobicContact CG2-CB 3.95Å; T713-N748 PolarHBondContact O-ND2 2.82Å; R719-N748 WeakPolarHBondContact CD-OD1 3.47Å; R719-N748 PolarHBondContact NH1-OD1 2.83Å; R719-N748 VanDerWaalsContact NH1-OD1 3.08Å; Q744-N748 VanDerWaalsContact O-CB 3.29Å; Q744-N748 WeakPolarHBondContact O-CB 3.49Å; Q744-N748 VanDerWaalsContact O-CG 3.31Å; Q744-N748 PolarHBondContact O-N 2.93Å; Q744-N748 PolarHBondContact O-ND2 3.2Å; R745-N748 PolarHBondContact O-N 3.4Å; Y746-N748 PolarHBondContact O-N 3.45Å; N748-N751 PolarHBondContact O-N 3.25Å; N748-F752 VanDerWaalsContact O-CD1 3.27Å; N748-F752 WeakPolarHBondContact O-CD1 3.02Å; N748-F752 WeakPolarHBondContact O-CE1 3.19Å
749	L	91	Very high	87.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-68.1	-35.5	-178.1	-65.6	173.8	0	0	0	113.3	I654 Y709 T713 F732 L738 R745 Y746 N751 F752 F778	I654-L749 HydrophobicContact CD1-CD2 3.51Å; Y709-L749 HydrophobicContact CD1-CD1 3.77Å; Y709-L749 HydrophobicContact CE1-CD1 3.7Å; T713-L749 HydrophobicContact CG2-CD1 4.47Å; T713-L749 HydrophobicContact CG2-CD2 3.52Å; T713-L749 HydrophobicContact CG2-CG 3.71Å; F732-L749 HydrophobicContact CE1-CD2 4.43Å; L738-L749 HydrophobicContact CD2-CD1 3.43Å; L738-L749 VanDerWaalsContact CD2-CD1 3.43Å; R745-L749 HydrophobicContact CG-CD1 3.81Å; R745-L749 HydrophobicContact CG-CG 4.43Å; R745-L749 WeakPolarHBondContact O-CB 3.44Å; R745-L749 VanDerWaalsContact O-CG 3.27Å; R745-L749 WeakPolarHBondContact O-CG 3.28Å; R745-L749 PolarHBondContact O-N 3.4Å; Y746-L749 PolarHBondContact O-N 3.44Å; L749-N751 PolarHBondContact O-N 3.42Å; L749-N751 VanDerWaalsContact O-N 3.16Å; L749-F752 HydrophobicContact CD2-CD2 4.05Å; L749-F752 HydrophobicContact CD2-CE1 4.37Å; L749-F752 HydrophobicContact CD2-CE2 3.5Å; L749-F752 HydrophobicContact CD2-CZ 3.68Å; L749-F752 WeakPolarHBondContact O-CB 2.96Å; L749-F752 PolarHBondContact O-N 2.75Å; L749-F778 HydrophobicContact CB-CE2 3.82Å; L749-F778 HydrophobicContact CB-CZ 3.99Å
750	M	87.7	Confident	88.2	Confident	39 Å²	39	50.2 Å²	50.2	19%	0.192	23%	0.233	C	C	.	.	H	α-helix	trans	-57	-31.5	177.7	-169.4	67.7	166.4	0	0	111.8	Y746 R757 S777 F778 P781 L785	Y746-M750 HydrophobicContact CE1-CB 4.44Å; Y746-M750 HydrophobicContact CE1-CG 4.44Å; Y746-M750 HydrophobicContact CE1-SD 4.31Å; Y746-M750 VanDerWaalsContact O-CB 3.27Å; Y746-M750 WeakPolarHBondContact O-CB 3.23Å; Y746-M750 PolarHBondContact O-N 3.05Å; M750-R757 PolarHBondContact O-NH2 3.09Å; M750-R757 PolarHBondContact SD-NH1 3.35Å; M750-S777 WeakPolarHBondContact CE-O 3.4Å; M750-F778 HydrophobicContact SD-CD2 4.08Å; M750-P781 HydrophobicContact CE-CB 3.65Å; M750-P781 HydrophobicContact CE-CG 3.74Å; M750-P781 HydrophobicContact SD-CG 4.19Å; M750-L785 HydrophobicContact CE-CD2 4.36Å
751	N	87.2	Confident	88.6	Confident	96 Å²	96	46.9 Å²	46.9	51%	0.513	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	1.2	179.4	-71	-55.7	0	0	0	114.8	R747 N748 L749	R747-N751 PolarHBondContact O-ND2 3.36Å; N748-N751 PolarHBondContact O-N 3.25Å; L749-N751 PolarHBondContact O-N 3.42Å; L749-N751 VanDerWaalsContact O-N 3.16Å
752	F	89.7	Confident	88.8	Confident	7 Å²	7	46.3 Å²	46.3	3%	0.031	21%	0.213	C	C	.	.	S	Bend	trans	-74.7	141.3	177.4	-72	10.7	0	0	0	110.5	L652 I654 G712 T713 M722 N748 L749 V754	L652-F752 HydrophobicContact CD2-CD2 3.81Å; L652-F752 HydrophobicContact CD2-CE2 4.29Å; I654-F752 HydrophobicContact CD1-CD2 4.09Å; I654-F752 HydrophobicContact CD1-CE2 3.7Å; G712-F752 WeakPolarHBondContact O-CZ 3.31Å; T713-F752 HydrophobicContact CG2-CZ 4.5Å; M722-F752 HydrophobicContact CB-CD1 3.74Å; M722-F752 HydrophobicContact CB-CD2 3.79Å; M722-F752 HydrophobicContact CB-CE1 3.61Å; M722-F752 HydrophobicContact CB-CE2 3.64Å; M722-F752 HydrophobicContact CB-CG 3.83Å; M722-F752 HydrophobicContact CB-CZ 3.56Å; M722-F752 HydrophobicContact CG-CD2 4.23Å; M722-F752 HydrophobicContact CG-CE1 4.19Å; M722-F752 HydrophobicContact CG-CE2 3.66Å; M722-F752 HydrophobicContact CG-CZ 3.64Å; M722-F752 HydrophobicContact SD-CE2 4.24Å; N748-F752 VanDerWaalsContact O-CD1 3.27Å; N748-F752 WeakPolarHBondContact O-CD1 3.02Å; N748-F752 WeakPolarHBondContact O-CE1 3.19Å; L749-F752 HydrophobicContact CD2-CD2 4.05Å; L749-F752 HydrophobicContact CD2-CE1 4.37Å; L749-F752 HydrophobicContact CD2-CE2 3.5Å; L749-F752 HydrophobicContact CD2-CZ 3.68Å; L749-F752 WeakPolarHBondContact O-CB 2.96Å; L749-F752 PolarHBondContact O-N 2.75Å; F752-V754 VanDerWaalsContact C-N 3.34Å; F752-V754 HydrophobicContact CB-CG2 3.94Å; F752-V754 PolarHBondContact O-N 3.49Å
753	R	87.7	Confident	88.8	Confident	144 Å²	144	42.5 Å²	42.5	54%	0.543	19%	0.189	S	C	.	.			trans	-78.5	85.3	178.7	-73.3	-164.1	-175.7	164.2	0.1	110.7	M722 K723 N726 F727	M722-R753 PolarHBondContact O-N 3.38Å; K723-R753 WeakPolarHBondContact O-CD 3.45Å; K723-R753 WeakPolarHBondContact O-CG 3.38Å; K723-R753 PolarHBondContact O-NE 2.85Å; N726-R753 WeakPolarHBondContact OD1-CD 3.4Å; N726-R753 PolarHBondContact OD1-NH1 2.78Å; F727-R753 PolarHBondContact N-O 3.48Å
754	V	91.6	Very high	88.3	Confident	18 Å²	18	41.3 Å²	41.3	11%	0.109	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.3	-176.1	175.6	0	0	0	0	109.1	L652 F727 G730 F752 R756 R757	L652-V754 HydrophobicContact CD2-CG2 4.3Å; F727-V754 HydrophobicContact CB-CG2 4.32Å; F727-V754 HydrophobicContact CD2-CG2 4.48Å; F727-V754 WeakPolarHBondContact O-CA 3.37Å; G730-V754 VanDerWaalsContact N-CG1 3.3Å; F752-V754 VanDerWaalsContact C-N 3.34Å; F752-V754 HydrophobicContact CB-CG2 3.94Å; F752-V754 PolarHBondContact O-N 3.49Å; V754-R756 WeakPolarHBondContact CG1-O 3.39Å; V754-R757 HydrophobicContact CG1-CG 3.8Å
755	Q	90.4	Very high	87.8	Confident	120 Å²	120	36.6 Å²	36.6	56%	0.561	16%	0.159	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	-48.1	-178.5	-63.2	176.8	-12.6	0	0	112.4	F727	F727-Q755 PolarHBondContact O-N 3.38Å
756	R	91.7	Very high	86.5	Confident	47 Å²	47	33 Å²	33	18%	0.177	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.4	177.7	-63	-75.4	-177.3	-116.2	-18.7	111.8	Q618 N620 R728 Y729 G730 V754	Q618-R756 VanDerWaalsContact CA-CZ 3.46Å; Q618-R756 VanDerWaalsContact CG-NH2 3.31Å; Q618-R756 PolarHBondContact O-NH1 2.91Å; N620-R756 VanDerWaalsContact OD1-CA 3.22Å; N620-R756 WeakPolarHBondContact OD1-CA 3.45Å; N620-R756 WeakPolarHBondContact OD1-CD 3.39Å; R728-R756 WeakPolarHBondContact O-CB 3.24Å; R728-R756 PolarHBondContact O-N 3.06Å; Y729-R756 CarbonylContact C-O 3.54Å; Y729-R756 WeakPolarHBondContact CA-O 3.27Å; Y729-R756 HydrophobicContact CD1-CB 3.52Å; Y729-R756 HydrophobicContact CD2-CB 3.86Å; Y729-R756 HydrophobicContact CD2-CG 4.23Å; Y729-R756 HydrophobicContact CE1-CB 3.3Å; Y729-R756 HydrophobicContact CE1-CG 4.05Å; Y729-R756 HydrophobicContact CE2-CB 3.65Å; Y729-R756 HydrophobicContact CE2-CG 3.67Å; Y729-R756 HydrophobicContact CG-CB 3.78Å; G730-R756 PolarHBondContact N-O 3.17Å; V754-R756 WeakPolarHBondContact CG1-O 3.39Å
757	R	93.9	Very high	85.2	Confident	14 Å²	14	32.4 Å²	32.4	5%	0.053	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.6	-178.1	-63.9	-178.6	178.2	-171	-2.1	110.4	N620 G621 G730 F732 M750 V754 F778	N620-R757 WeakPolarHBondContact CA-O 3.29Å; N620-R757 HydrophobicContact CB-CB 4.33Å; N620-R757 VanDerWaalsContact CB-O 3.27Å; N620-R757 WeakPolarHBondContact CB-O 3.35Å; N620-R757 VanDerWaalsContact CG-N 3.31Å; N620-R757 PolarHBondContact OD1-N 3.36Å; G621-R757 PolarHBondContact N-O 3.35Å; G621-R757 VanDerWaalsContact N-O 3.16Å; G730-R757 WeakPolarHBondContact O-CA 3.36Å; F732-R757 HydrophobicContact CE2-CB 4.42Å; F732-R757 HydrophobicContact CE2-CG 4.2Å; M750-R757 PolarHBondContact O-NH2 3.09Å; M750-R757 PolarHBondContact SD-NH1 3.35Å; V754-R757 HydrophobicContact CG1-CG 3.8Å; R757-F778 WeakPolarHBondContact CD-O 3.29Å; R757-F778 PolarHBondContact NH1-O 3.2Å
758	L	94.8	Very high	84.1	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.6	172.1	175.2	58.1	0	0	0	108.5	L611 G621 L623 F638 G730 I731 F732 L760	L611-L758 HydrophobicContact CD1-CD2 4.35Å; L611-L758 HydrophobicContact CD2-CD1 3.62Å; L611-L758 HydrophobicContact CD2-CD2 3.99Å; L611-L758 HydrophobicContact CD2-CG 4.47Å; G621-L758 WeakPolarHBondContact O-CA 3.41Å; L623-L758 HydrophobicContact CB-CD1 4.4Å; F638-L758 HydrophobicContact CD1-CD2 4.42Å; G730-L758 PolarHBondContact O-N 3.48Å; I731-L758 WeakPolarHBondContact CA-O 3.04Å; I731-L758 HydrophobicContact CD1-CD2 4.39Å; I731-L758 HydrophobicContact CG1-CB 4.4Å; I731-L758 HydrophobicContact CG1-CD2 4.39Å; I731-L758 HydrophobicContact CG2-CD2 4.48Å; F732-L758 PolarHBondContact N-O 3.08Å; L758-L760 HydrophobicContact CD1-CD2 4.22Å; L758-L760 HydrophobicContact CD2-CD2 4.03Å; L758-L760 HydrophobicContact CG-CD2 3.86Å
759	L	94.6	Very high	82.9	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.6	171.5	-62.3	-170.1	0	0	0	109.7	G621 I622 L623 F732 A735 L738 L775 F778 V779	G621-L759 PolarHBondContact O-N 3.01Å; I622-L759 CarbonylContact C-O 3.38Å; I622-L759 WeakPolarHBondContact CA-O 3.3Å; I622-L759 HydrophobicContact CB-CB 4.46Å; I622-L759 HydrophobicContact CG1-CB 4.25Å; I622-L759 HydrophobicContact CG1-CD1 4.33Å; I622-L759 HydrophobicContact CG2-CB 4.18Å; L623-L759 PolarHBondContact N-O 2.91Å; F732-L759 HydrophobicContact CB-CD2 3.67Å; F732-L759 HydrophobicContact CD2-CD2 4.02Å; F732-L759 HydrophobicContact CG-CD2 4.09Å; A735-L759 HydrophobicContact CB-CB 3.76Å; A735-L759 HydrophobicContact CB-CD1 4.11Å; A735-L759 HydrophobicContact CB-CD2 3.91Å; A735-L759 HydrophobicContact CB-CG 4.13Å; L738-L759 HydrophobicContact CD1-CD2 3.79Å; L759-L775 HydrophobicContact CD1-CB 3.99Å; L759-L775 HydrophobicContact CD1-CD2 4.13Å; L759-L775 HydrophobicContact CD1-CG 4.5Å; L759-F778 HydrophobicContact CD2-CD1 3.85Å; L759-F778 HydrophobicContact CD2-CE1 4.05Å; L759-V779 HydrophobicContact CD1-CG2 3.45Å; L759-V779 VanDerWaalsContact CD1-CG2 3.45Å; L759-V779 HydrophobicContact CG-CG2 3.67Å
760	L	93.8	Very high	81.7	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.5	169.3	-44.6	177.2	0	0	0	108.2	L623 K631 A635 W663 I731 F732 D733 E734 A735 L758	L623-L760 HydrophobicContact CB-CD2 3.8Å; L623-L760 HydrophobicContact CD2-CD2 4.13Å; K631-L760 HydrophobicContact CD-CB 4.34Å; A635-L760 HydrophobicContact CB-CD1 3.97Å; A635-L760 HydrophobicContact CB-CD2 4.38Å; W663-L760 HydrophobicContact CH2-CD1 3.72Å; W663-L760 HydrophobicContact CZ2-CD1 3.66Å; I731-L760 HydrophobicContact CG2-CD1 3.69Å; I731-L760 HydrophobicContact CG2-CD2 4.43Å; I731-L760 HydrophobicContact CG2-CG 3.92Å; F732-L760 PolarHBondContact O-N 2.87Å; D733-L760 HydrophobicContact CB-CD1 4.34Å; E734-L760 PolarHBondContact N-O 2.85Å; A735-L760 WeakPolarHBondContact CB-O 3.46Å; A735-L760 PolarHBondContact N-O 3.41Å; L758-L760 HydrophobicContact CD1-CD2 4.22Å; L758-L760 HydrophobicContact CD2-CD2 4.03Å; L758-L760 HydrophobicContact CG-CD2 3.86Å
761	T	88.7	Confident	81	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.129	C	C	.	.			trans	-153.5	142.4	177.5	-178	0	0	0	0	111.6	I622 L623 A624 K631 T763 P764	I622-T761 HydrophobicContact CG2-CG2 4.01Å; L623-T761 PolarHBondContact O-N 3.42Å; L623-T761 VanDerWaalsContact O-N 3.14Å; A624-T761 CarbonylContact C-O 3.6Å; A624-T761 WeakPolarHBondContact CA-O 3.37Å; A624-T761 HydrophobicContact CB-CG2 4.37Å; K631-T761 VanDerWaalsContact CE-C 3.45Å; K631-T761 WeakPolarHBondContact CE-O 3.3Å; K631-T761 PolarHBondContact NZ-O 3.3Å; T761-T763 VanDerWaalsContact OG1-C 3.25Å; T761-T763 PolarHBondContact OG1-N 3.31Å; T761-T763 PolarHBondContact OG1-O 2.91Å; T761-P764 HydrophobicContact CG2-CB 4.01Å
762	G	83.3	Confident	80.3	Confident	3 Å²	3	23.7 Å²	23.7	3%	0.031	11%	0.108	C	C	.	.	S	Bend	trans	-80.6	-22.2	166.5	0	0	0	0	0	113.5	R838	G762-R838 PolarHBondContact O-NH1 2.89Å
763	T	77.4	Confident	79.4	Confident	3 Å²	3	24.2 Å²	24.2	2%	0.018	11%	0.111	C	C	.	.			trans	-135.6	88.5	-172.8	64.7	0	0	0	0	108.2	T761 I765 Q766 Y1119	T761-T763 VanDerWaalsContact OG1-C 3.25Å; T761-T763 PolarHBondContact OG1-N 3.31Å; T761-T763 PolarHBondContact OG1-O 2.91Å; T763-I765 PolarHBondContact O-N 3.18Å; T763-Q766 PolarHBondContact OG1-NE2 3.39Å; T763-Y1119 HydrophobicContact CG2-CD1 3.63Å; T763-Y1119 HydrophobicContact CG2-CE1 4.48Å; T763-Y1119 HydrophobicContact CG2-CG 4.38Å
764	P	73.3	Confident	79	Confident	7 Å²	7	17.3 Å²	17.3	5%	0.045	9%	0.085	C	C	.	.	S	Bend	trans	-68.3	-20.2	-177	28	-35.3	0	0	0	113	A624 T761 L775	A624-P764 HydrophobicContact CB-CB 4.14Å; A624-P764 HydrophobicContact CB-CG 4.16Å; T761-P764 HydrophobicContact CG2-CB 4.01Å; P764-L775 WeakPolarHBondContact O-CD1 3.43Å
765	I	73.8	Confident	78.5	Confident	7 Å²	7	16.6 Å²	16.6	4%	0.036	8%	0.08	C	C	.	.			trans	-138.8	144.5	177.4	-50.8	176.2	0	0	0	106.3	T763 L772 V1166	T763-I765 PolarHBondContact O-N 3.18Å; I765-L772 HydrophobicContact CD1-CB 4.43Å; I765-L772 HydrophobicContact CD1-CD1 4.14Å; I765-L772 HydrophobicContact CD1-CD2 3.63Å; I765-L772 HydrophobicContact CD1-CG 4.3Å; I765-L772 HydrophobicContact CG1-CB 4.19Å; I765-L772 HydrophobicContact CG1-CD1 3.95Å; I765-L772 HydrophobicContact CG1-CD2 4.22Å; I765-L772 HydrophobicContact CG1-CG 4.36Å; I765-V1166 HydrophobicContact CD1-CB 3.81Å; I765-V1166 HydrophobicContact CD1-CG1 3.29Å
766	Q	61.8	Low	77.9	Confident	6 Å²	6	11.6 Å²	11.6	3%	0.028	6%	0.057	C	C	.	.	S	Bend	trans	-127	-41.6	173.2	-65.5	-179.4	-16.3	0	0	112.7	T763 E771 Y1119	T763-Q766 PolarHBondContact OG1-NE2 3.39Å; Q766-E771 WeakPolarHBondContact CA-OE2 3.35Å; Q766-E771 PolarHBondContact N-OE2 3.41Å; Q766-Y1119 HydrophobicContact CB-CD2 3.86Å; Q766-Y1119 HydrophobicContact CB-CE2 3.95Å; Q766-Y1119 HydrophobicContact CB-CG 4.27Å; Q766-Y1119 HydrophobicContact CG-CD1 4.2Å; Q766-Y1119 HydrophobicContact CG-CD2 4.03Å; Q766-Y1119 HydrophobicContact CG-CE2 4.44Å; Q766-Y1119 HydrophobicContact CG-CG 3.92Å; Q766-Y1119 WeakPolarHBondContact O-CE2 3.35Å; Q766-Y1119 PolarHBondContact O-OH 2.81Å
767	N	61.9	Low	77.3	Confident	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	-135.5	-27.4	-172.7	-54.3	-93	0	0	0	113.3	K739 E771 K1159 M1162 I1236 S1238	K739-N767 PolarHBondContact NZ-ND2 3.07Å; K739-N767 VanDerWaalsContact NZ-ND2 3.16Å; N767-E771 PolarHBondContact N-OE2 3.43Å; N767-E771 PolarHBondContact ND2-OE1 2.84Å; N767-K1159 WeakPolarHBondContact OD1-CE 3.26Å; N767-K1159 PolarHBondContact OD1-NZ 3.5Å; N767-M1162 VanDerWaalsContact O-SD 3.4Å; N767-I1236 VanDerWaalsContact O-O 3.06Å; N767-S1238 VanDerWaalsContact CG-O 3.31Å; N767-S1238 PolarHBondContact OD1-O 2.96Å
768	N	62.8	Low	76.9	Confident	17 Å²	17	8.8 Å²	8.8	9%	0.091	5%	0.047	C	C	.	.			trans	-157.7	145.7	-167.6	-164.9	-52.9	0	0	0	113.6	L770 E771 S799	N768-L770 PolarHBondContact O-N 3.01Å; N768-L770 VanDerWaalsContact OD1-CB 3.28Å; N768-L770 WeakPolarHBondContact OD1-CB 3.46Å; N768-L770 PolarHBondContact OD1-N 2.84Å; N768-E771 HydrophobicContact CB-CG 4.37Å; N768-E771 PolarHBondContact N-OE2 3.23Å; N768-E771 VanDerWaalsContact O-CB 3.23Å; N768-E771 WeakPolarHBondContact O-CB 3.45Å; N768-E771 PolarHBondContact O-N 2.97Å; N768-S799 VanDerWaalsContact ND2-CB 3.25Å; N768-S799 WeakPolarHBondContact ND2-CB 3.39Å; N768-S799 PolarHBondContact ND2-OG 2.6Å; N768-S799 PolarHBondContact OD1-OG 3.23Å; N768-S799 VanDerWaalsContact OD1-OG 3.12Å
769	L	63.4	Low	76.4	Confident	49 Å²	49	8.7 Å²	8.7	26%	0.257	5%	0.046	S	C	.	.	H	α-helix	trans	-56.8	-26.2	170.5	-58.1	174.9	0	0	0	113.4	E771 L772 I773 F795 L825 V1166	L769-E771 VanDerWaalsContact C-N 3.27Å; L769-E771 PolarHBondContact O-N 2.83Å; L769-L772 HydrophobicContact CD2-CD2 4.38Å; L769-L772 VanDerWaalsContact O-CB 3.3Å; L769-L772 WeakPolarHBondContact O-CB 3.24Å; L769-L772 PolarHBondContact O-N 2.67Å; L769-L772 VanDerWaalsContact O-N 3.16Å; L769-I773 WeakPolarHBondContact O-CG1 3.31Å; L769-I773 PolarHBondContact O-N 2.95Å; L769-F795 HydrophobicContact CB-CD1 3.87Å; L769-F795 HydrophobicContact CB-CE1 3.95Å; L769-F795 HydrophobicContact CD1-CD1 4.35Å; L769-F795 HydrophobicContact CD1-CE1 4.01Å; L769-L825 HydrophobicContact CD1-CD1 4.01Å; L769-L825 HydrophobicContact CD2-CD1 3.79Å; L769-V1166 HydrophobicContact CD2-CG1 4.27Å; L769-V1166 HydrophobicContact CD2-CG2 4.29Å
770	L	66.8	Low	75.7	Confident	30 Å²	30	9.4 Å²	9.4	16%	0.157	5%	0.05	C	C	.	.	H	α-helix	trans	-66.6	-27.6	174	-165.5	33.7	0	0	0	112.1	M741 N768 S774 K792 F795	M741-L770 HydrophobicContact CE-CD1 4.07Å; M741-L770 HydrophobicContact SD-CD1 4.4Å; M741-L770 HydrophobicContact SD-CD2 4.28Å; N768-L770 PolarHBondContact O-N 3.01Å; N768-L770 VanDerWaalsContact OD1-CB 3.28Å; N768-L770 WeakPolarHBondContact OD1-CB 3.46Å; N768-L770 PolarHBondContact OD1-N 2.84Å; L770-S774 PolarHBondContact O-N 3.16Å; L770-S774 VanDerWaalsContact O-N 3.07Å; L770-K792 HydrophobicContact CD1-CG 4.26Å; L770-F795 HydrophobicContact CB-CB 4.07Å; L770-F795 HydrophobicContact CD1-CB 4.08Å; L770-F795 HydrophobicContact CG-CB 4.29Å
771	E	72.6	Confident	74.9	Confident	11 Å²	11	10.4 Å²	10.4	5%	0.051	6%	0.056	C	C	.	.	H	α-helix	trans	-65	-47.5	169.1	-60.6	178.2	150.1	0	0	110	K739 Q766 N767 N768 L769 I773 S774 L775	K739-E771 HydrophobicContact CB-CB 4.04Å; K739-E771 HydrophobicContact CB-CG 4.12Å; K739-E771 HydrophobicContact CD-CG 4.36Å; K739-E771 WeakPolarHBondContact CD-OE1 3.47Å; K739-E771 VanDerWaalsContact CE-OE1 3.24Å; K739-E771 WeakPolarHBondContact CE-OE1 3.23Å; K739-E771 HydrophobicContact CG-CG 4.44Å; K739-E771 IonicContact NZ-OE1 3.91Å; K739-E771 PolarHBondContact NZ-OE1 3.48Å; Q766-E771 WeakPolarHBondContact CA-OE2 3.35Å; Q766-E771 PolarHBondContact N-OE2 3.41Å; N767-E771 PolarHBondContact N-OE2 3.43Å; N767-E771 PolarHBondContact ND2-OE1 2.84Å; N768-E771 HydrophobicContact CB-CG 4.37Å; N768-E771 PolarHBondContact N-OE2 3.23Å; N768-E771 VanDerWaalsContact O-CB 3.23Å; N768-E771 WeakPolarHBondContact O-CB 3.45Å; N768-E771 PolarHBondContact O-N 2.97Å; L769-E771 VanDerWaalsContact C-N 3.27Å; L769-E771 PolarHBondContact O-N 2.83Å; E771-I773 PolarHBondContact O-N 2.8Å; E771-S774 WeakPolarHBondContact O-CA 3.47Å; E771-S774 WeakPolarHBondContact O-CB 3.34Å; E771-S774 PolarHBondContact O-N 3.36Å; E771-S774 PolarHBondContact O-OG 2.94Å; E771-L775 PolarHBondContact O-N 3.23Å; E771-L775 VanDerWaalsContact O-N 3.08Å
772	L	71.6	Confident	74.1	Confident	13 Å²	13	17.9 Å²	17.9	7%	0.068	9%	0.091	C	C	.	.	H	α-helix	trans	-61	-43.4	178.3	-175	62.3	0	0	0	112.5	I765 L769 S774 L775 L776 L832	I765-L772 HydrophobicContact CD1-CB 4.43Å; I765-L772 HydrophobicContact CD1-CD1 4.14Å; I765-L772 HydrophobicContact CD1-CD2 3.63Å; I765-L772 HydrophobicContact CD1-CG 4.3Å; I765-L772 HydrophobicContact CG1-CB 4.19Å; I765-L772 HydrophobicContact CG1-CD1 3.95Å; I765-L772 HydrophobicContact CG1-CD2 4.22Å; I765-L772 HydrophobicContact CG1-CG 4.36Å; L769-L772 HydrophobicContact CD2-CD2 4.38Å; L769-L772 VanDerWaalsContact O-CB 3.3Å; L769-L772 WeakPolarHBondContact O-CB 3.24Å; L769-L772 PolarHBondContact O-N 2.67Å; L769-L772 VanDerWaalsContact O-N 3.16Å; L772-S774 VanDerWaalsContact C-N 3.29Å; L772-S774 PolarHBondContact O-N 2.76Å; L772-L775 PolarHBondContact O-N 3.16Å; L772-L776 PolarHBondContact O-N 3.13Å; L772-L832 HydrophobicContact CD1-CD1 3.95Å; L772-L832 HydrophobicContact CD1-CD2 3.95Å; L772-L832 HydrophobicContact CD2-CD1 3.42Å; L772-L832 VanDerWaalsContact CD2-CD1 3.42Å; L772-L832 HydrophobicContact CG-CD1 3.83Å; L772-L832 HydrophobicContact CG-CD2 4.44Å
773	I	71.6	Confident	73.4	Confident	17 Å²	17	18.9 Å²	18.9	9%	0.087	10%	0.095	C	C	.	.	H	α-helix	trans	-62.9	-34.3	173.1	-68.3	-70.4	0	0	0	111.6	M741 L769 E771 L776 S777 L791 F795	M741-I773 HydrophobicContact CE-CG2 4.44Å; L769-I773 WeakPolarHBondContact O-CG1 3.31Å; L769-I773 PolarHBondContact O-N 2.95Å; E771-I773 PolarHBondContact O-N 2.8Å; I773-L776 HydrophobicContact CD1-CD1 4.35Å; I773-S777 VanDerWaalsContact O-CB 3.26Å; I773-S777 WeakPolarHBondContact O-CB 3.23Å; I773-S777 PolarHBondContact O-N 2.87Å; I773-S777 PolarHBondContact O-OG 2.74Å; I773-L791 HydrophobicContact CG2-CB 4.18Å; I773-L791 HydrophobicContact CG2-CD1 4.4Å; I773-F795 HydrophobicContact CD1-CD2 4.3Å; I773-F795 HydrophobicContact CD1-CE2 3.68Å; I773-F795 HydrophobicContact CD1-CZ 4.17Å; I773-F795 HydrophobicContact CG1-CD2 3.77Å; I773-F795 HydrophobicContact CG1-CE2 3.61Å; I773-F795 HydrophobicContact CG1-CG 4.43Å; I773-F795 HydrophobicContact CG1-CZ 4.14Å
774	S	78.5	Confident	72.9	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-68.2	-37.8	174.7	81	0	0	0	0	112.4	K739 Y746 L770 E771 L772 S777 F778	K739-S774 VanDerWaalsContact CA-OG 3.3Å; K739-S774 WeakPolarHBondContact CA-OG 3.35Å; K739-S774 PolarHBondContact O-OG 3.4Å; Y746-S774 WeakPolarHBondContact CE2-O 3.45Å; Y746-S774 PolarHBondContact OH-O 2.77Å; L770-S774 PolarHBondContact O-N 3.16Å; L770-S774 VanDerWaalsContact O-N 3.07Å; E771-S774 WeakPolarHBondContact O-CA 3.47Å; E771-S774 WeakPolarHBondContact O-CB 3.34Å; E771-S774 PolarHBondContact O-N 3.36Å; E771-S774 PolarHBondContact O-OG 2.94Å; L772-S774 VanDerWaalsContact C-N 3.29Å; L772-S774 PolarHBondContact O-N 2.76Å; S774-S777 PolarHBondContact O-N 3.1Å; S774-F778 PolarHBondContact O-N 3.41Å; S774-F778 VanDerWaalsContact O-N 3.11Å
775	L	81.3	Confident	72.4	Confident	3 Å²	3	23.2 Å²	23.2	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-66.2	-47.6	173.4	-58.2	-173.3	0	0	0	111	I622 A735 L738 L759 P764 E771 L772 S777 F778 V779	I622-L775 HydrophobicContact CD1-CB 4.31Å; A735-L775 WeakPolarHBondContact O-CD2 3.45Å; L738-L775 HydrophobicContact CB-CD2 4.01Å; L759-L775 HydrophobicContact CD1-CB 3.99Å; L759-L775 HydrophobicContact CD1-CD2 4.13Å; L759-L775 HydrophobicContact CD1-CG 4.5Å; P764-L775 WeakPolarHBondContact O-CD1 3.43Å; E771-L775 PolarHBondContact O-N 3.23Å; E771-L775 VanDerWaalsContact O-N 3.08Å; L772-L775 PolarHBondContact O-N 3.16Å; L775-S777 VanDerWaalsContact C-N 3.33Å; L775-S777 PolarHBondContact O-N 3.29Å; L775-F778 WeakPolarHBondContact O-CB 3.23Å; L775-F778 PolarHBondContact O-N 2.72Å; L775-V779 VanDerWaalsContact O-CG2 3.26Å; L775-V779 WeakPolarHBondContact O-CG2 3.34Å; L775-V779 PolarHBondContact O-N 3.04Å
776	L	77.4	Confident	71.9	Confident	15 Å²	15	32.6 Å²	32.6	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-56.7	-44	174.6	-80.4	168.1	0	0	0	112.8	L772 I773 F778 V779 M780 F784 L832	L772-L776 PolarHBondContact O-N 3.13Å; I773-L776 HydrophobicContact CD1-CD1 4.35Å; L776-F778 PolarHBondContact O-N 3.29Å; L776-V779 PolarHBondContact O-N 2.92Å; L776-M780 HydrophobicContact CD2-CE 3.86Å; L776-M780 PolarHBondContact O-N 3.17Å; L776-F784 HydrophobicContact CB-CE1 4.43Å; L776-F784 HydrophobicContact CB-CE2 4.01Å; L776-F784 HydrophobicContact CB-CZ 3.87Å; L776-F784 HydrophobicContact CD1-CZ 4.36Å; L776-L832 HydrophobicContact CD1-CD2 3.88Å; L776-L832 HydrophobicContact CD1-CG 4.18Å; L776-L832 HydrophobicContact CD2-CD2 3.79Å; L776-L832 HydrophobicContact CG-CD2 3.95Å
777	S	80.5	Confident	71.8	Confident	1 Å²	1	33 Å²	33	1%	0.007	16%	0.161	C	C	.	.	H	α-helix	trans	-63.6	-29.3	177.4	-60.4	0	0	0	0	112.7	Y746 M750 I773 S774 L775	Y746-S777 WeakPolarHBondContact OH-CB 3.25Å; M750-S777 WeakPolarHBondContact CE-O 3.4Å; I773-S777 VanDerWaalsContact O-CB 3.26Å; I773-S777 WeakPolarHBondContact O-CB 3.23Å; I773-S777 PolarHBondContact O-N 2.87Å; I773-S777 PolarHBondContact O-OG 2.74Å; S774-S777 PolarHBondContact O-N 3.1Å; L775-S777 VanDerWaalsContact C-N 3.33Å; L775-S777 PolarHBondContact O-N 3.29Å
778	F	85.8	Confident	71.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-79.9	-35.4	175.7	-168.6	-89.2	0	0	0	112.6	F732 L738 Y746 L749 M750 R757 L759 S774 L775 L776	F732-F778 HydrophobicContact CD1-CE1 4.1Å; F732-F778 HydrophobicContact CD1-CZ 4.08Å; F732-F778 AromaticContact CD2-CE1 3.87Å; F732-F778 HydrophobicContact CD2-CE1 3.87Å; F732-F778 AromaticContact CE1-CE1 3.94Å; F732-F778 HydrophobicContact CE1-CE1 3.94Å; F732-F778 AromaticContact CE1-CZ 3.65Å; F732-F778 HydrophobicContact CE1-CZ 3.65Å; F732-F778 AromaticContact CE2-CE1 3.72Å; F732-F778 HydrophobicContact CE2-CE1 3.72Å; F732-F778 HydrophobicContact CE2-CZ 4.18Å; F732-F778 HydrophobicContact CG-CE1 4.07Å; F732-F778 AromaticContact CZ-CE1 3.76Å; F732-F778 HydrophobicContact CZ-CE1 3.76Å; F732-F778 AromaticContact CZ-CZ 3.72Å; F732-F778 HydrophobicContact CZ-CZ 3.72Å; L738-F778 HydrophobicContact CD1-CD1 3.82Å; L738-F778 HydrophobicContact CD1-CD2 4.33Å; L738-F778 HydrophobicContact CD1-CE1 3.8Å; L738-F778 HydrophobicContact CD1-CE2 4.32Å; L738-F778 HydrophobicContact CD1-CG 4.09Å; L738-F778 HydrophobicContact CD1-CZ 4.06Å; Y746-F778 HydrophobicContact CD2-CD2 4.1Å; Y746-F778 HydrophobicContact CE2-CB 3.83Å; Y746-F778 AromaticContact CE2-CD2 3.83Å; Y746-F778 HydrophobicContact CE2-CD2 3.83Å; Y746-F778 HydrophobicContact CE2-CG 4.28Å; Y746-F778 PolarHBondContact OH-N 2.98Å; L749-F778 HydrophobicContact CB-CE2 3.82Å; L749-F778 HydrophobicContact CB-CZ 3.99Å; M750-F778 HydrophobicContact SD-CD2 4.08Å; R757-F778 WeakPolarHBondContact CD-O 3.29Å; R757-F778 PolarHBondContact NH1-O 3.2Å; L759-F778 HydrophobicContact CD2-CD1 3.85Å; L759-F778 HydrophobicContact CD2-CE1 4.05Å; S774-F778 PolarHBondContact O-N 3.41Å; S774-F778 VanDerWaalsContact O-N 3.11Å; L775-F778 WeakPolarHBondContact O-CB 3.23Å; L775-F778 PolarHBondContact O-N 2.72Å; L776-F778 PolarHBondContact O-N 3.29Å
779	V	84.2	Confident	71.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-72.4	-43.4	178.2	175.7	0	0	0	0	111.2	N620 I622 L759 L775 L776 P781	N620-V779 VanDerWaalsContact C-CG1 3.48Å; N620-V779 HydrophobicContact CB-CG1 3.48Å; N620-V779 VanDerWaalsContact CB-CG1 3.48Å; N620-V779 VanDerWaalsContact CB-O 3.23Å; N620-V779 WeakPolarHBondContact CB-O 3.46Å; N620-V779 PolarHBondContact ND2-O 3.21Å; N620-V779 WeakPolarHBondContact O-CG1 3.23Å; I622-V779 HydrophobicContact CD1-CG2 4.16Å; I622-V779 HydrophobicContact CG1-CG2 3.8Å; L759-V779 HydrophobicContact CD1-CG2 3.45Å; L759-V779 VanDerWaalsContact CD1-CG2 3.45Å; L759-V779 HydrophobicContact CG-CG2 3.67Å; L775-V779 VanDerWaalsContact O-CG2 3.26Å; L775-V779 WeakPolarHBondContact O-CG2 3.34Å; L775-V779 PolarHBondContact O-N 3.04Å; L776-V779 PolarHBondContact O-N 2.92Å; V779-P781 VanDerWaalsContact C-CD 3.46Å; V779-P781 WeakPolarHBondContact O-CD 3.42Å
780	M	78.1	Confident	71.7	Confident	16 Å²	16	37.5 Å²	37.5	8%	0.079	19%	0.187	C	C	.	.			trans	-123.4	65.5	-177.1	-63.8	-173.6	-85	0	0	113.5	L776 E782 M783 F784 F835	L776-M780 HydrophobicContact CD2-CE 3.86Å; L776-M780 PolarHBondContact O-N 3.17Å; M780-E782 PolarHBondContact O-N 3.11Å; M780-M783 HydrophobicContact CB-CB 4.26Å; M780-M783 HydrophobicContact CB-CG 4.3Å; M780-M783 HydrophobicContact CB-SD 4.21Å; M780-M783 HydrophobicContact CG-SD 4.46Å; M780-M783 PolarHBondContact O-N 3.04Å; M780-M783 HydrophobicContact SD-SD 3.6Å; M780-M783 VanDerWaalsContact SD-SD 3.6Å; M780-F784 HydrophobicContact CB-CD2 4.18Å; M780-F784 HydrophobicContact CB-CE2 4.28Å; M780-F784 HydrophobicContact CE-CE2 4.39Å; M780-F784 WeakPolarHBondContact O-CD2 3.2Å; M780-F784 PolarHBondContact O-N 3.4Å; M780-F835 HydrophobicContact CE-CD2 3.54Å; M780-F835 HydrophobicContact CE-CE2 3.81Å; M780-F835 HydrophobicContact CE-CG 4.03Å; M780-F835 HydrophobicContact SD-CD2 4.47Å; M780-F835 HydrophobicContact SD-CE2 4.42Å
781	P	77.8	Confident	71.3	Confident	20 Å²	20	36.2 Å²	36.2	13%	0.13	18%	0.18	C	C	.	.	H	α-helix	trans	-46	-52.1	-178.8	-30.4	36	0	0	0	114.3	M750 V779 M783 F784 L785	M750-P781 HydrophobicContact CE-CB 3.65Å; M750-P781 HydrophobicContact CE-CG 3.74Å; M750-P781 HydrophobicContact SD-CG 4.19Å; V779-P781 VanDerWaalsContact C-CD 3.46Å; V779-P781 WeakPolarHBondContact O-CD 3.42Å; P781-M783 PolarHBondContact O-N 3.23Å; P781-F784 PolarHBondContact O-N 3.26Å; P781-L785 HydrophobicContact CB-CD1 3.99Å; P781-L785 HydrophobicContact CB-CG 4.31Å; P781-L785 WeakPolarHBondContact O-CB 3.49Å; P781-L785 WeakPolarHBondContact O-CG 3.29Å; P781-L785 PolarHBondContact O-N 2.93Å
782	E	72.7	Confident	70.9	Confident	158 Å²	158	37.3 Å²	37.3	74%	0.738	18%	0.184	S	C	*	.	H	α-helix	trans	-62.5	-12.6	-176.3	-58.4	-50.2	131	0	0	115.3	M780	M780-E782 PolarHBondContact O-N 3.11Å
783	M	68.3	Low	70.2	Confident	24 Å²	24	42.7 Å²	42.7	12%	0.118	20%	0.204	C	C	.	.	H	α-helix	trans	-94	-37.3	173.6	-63.9	-173.7	65.2	0	0	112.1	L528 K531 C532 L535 M780 P781	L528-M783 VanDerWaalsContact CD1-O 3.32Å; L528-M783 WeakPolarHBondContact CD1-O 3.45Å; K531-M783 HydrophobicContact CB-CE 4.21Å; K531-M783 HydrophobicContact CD-CE 4.01Å; K531-M783 HydrophobicContact CG-CE 3.92Å; C532-M783 HydrophobicContact CB-CE 4.27Å; C532-M783 WeakPolarHBondContact SG-CE 3.26Å; L535-M783 HydrophobicContact CD1-CE 3.74Å; L535-M783 HydrophobicContact CD1-SD 3.45Å; L535-M783 WeakPolarHBondContact CD1-SD 3.47Å; M780-M783 HydrophobicContact CB-CB 4.26Å; M780-M783 HydrophobicContact CB-CG 4.3Å; M780-M783 HydrophobicContact CB-SD 4.21Å; M780-M783 HydrophobicContact CG-SD 4.46Å; M780-M783 PolarHBondContact O-N 3.04Å; M780-M783 HydrophobicContact SD-SD 3.6Å; M780-M783 VanDerWaalsContact SD-SD 3.6Å; P781-M783 PolarHBondContact O-N 3.23Å
784	F	67.3	Low	69.4	Low	5 Å²	5	42.5 Å²	42.5	2%	0.022	20%	0.203	C	C	.	.	H	α-helix	trans	-99.6	-21.7	-170.3	-72	-87.7	0	0	0	114.1	L528 L776 M780 P781 K786 S787 T788 L791	L528-F784 HydrophobicContact CD1-CD1 3.95Å; L528-F784 HydrophobicContact CD1-CE1 4.12Å; L528-F784 HydrophobicContact CD1-CG 4.45Å; L528-F784 HydrophobicContact CD2-CD1 4.31Å; L528-F784 HydrophobicContact CD2-CE1 3.64Å; L528-F784 HydrophobicContact CD2-CZ 3.78Å; L776-F784 HydrophobicContact CB-CE1 4.43Å; L776-F784 HydrophobicContact CB-CE2 4.01Å; L776-F784 HydrophobicContact CB-CZ 3.87Å; L776-F784 HydrophobicContact CD1-CZ 4.36Å; M780-F784 HydrophobicContact CB-CD2 4.18Å; M780-F784 HydrophobicContact CB-CE2 4.28Å; M780-F784 HydrophobicContact CE-CE2 4.39Å; M780-F784 WeakPolarHBondContact O-CD2 3.2Å; M780-F784 PolarHBondContact O-N 3.4Å; P781-F784 PolarHBondContact O-N 3.26Å; F784-K786 PolarHBondContact O-N 2.79Å; F784-K786 VanDerWaalsContact O-N 3.07Å; F784-S787 CarbonylContact O-C 3.49Å; F784-S787 WeakPolarHBondContact O-CA 3.39Å; F784-S787 PolarHBondContact O-N 2.92Å; F784-T788 WeakPolarHBondContact O-CG2 3.3Å; F784-T788 PolarHBondContact O-N 2.97Å; F784-L791 HydrophobicContact CD1-CD1 3.48Å; F784-L791 VanDerWaalsContact CD1-CD1 3.48Å; F784-L791 HydrophobicContact CE1-CD1 3.84Å
785	L	63	Low	68.4	Low	95 Å²	95	44.1 Å²	44.1	50%	0.497	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-33	-174.5	-87	166.1	0	0	0	114.9	M750 P781 S787	M750-L785 HydrophobicContact CE-CD2 4.36Å; P781-L785 HydrophobicContact CB-CD1 3.99Å; P781-L785 HydrophobicContact CB-CG 4.31Å; P781-L785 WeakPolarHBondContact O-CB 3.49Å; P781-L785 WeakPolarHBondContact O-CG 3.29Å; P781-L785 PolarHBondContact O-N 2.93Å; L785-S787 VanDerWaalsContact C-N 3.35Å
786	K	62.5	Low	67.3	Low	204 Å²	204	49.1 Å²	49.1	89%	0.887	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.9	177.7	-63.4	-168.9	178.1	-171.1	0	114.1	F784	F784-K786 PolarHBondContact O-N 2.79Å; F784-K786 VanDerWaalsContact O-N 3.07Å
787	S	60.1	Low	66	Low	14 Å²	14	50.1 Å²	50.1	10%	0.098	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.4	4.6	-169.8	-55.9	0	0	0	0	113.4	F784 L785 D789 L790 L791	F784-S787 CarbonylContact O-C 3.49Å; F784-S787 WeakPolarHBondContact O-CA 3.39Å; F784-S787 PolarHBondContact O-N 2.92Å; L785-S787 VanDerWaalsContact C-N 3.35Å; S787-D789 VanDerWaalsContact C-N 3.3Å; S787-D789 PolarHBondContact O-N 3.49Å; S787-L790 PolarHBondContact O-N 2.89Å; S787-L791 VanDerWaalsContact O-CB 3.28Å; S787-L791 WeakPolarHBondContact O-CB 3.45Å; S787-L791 WeakPolarHBondContact O-CD1 3.45Å; S787-L791 VanDerWaalsContact O-CG 3.31Å; S787-L791 WeakPolarHBondContact O-CG 3.44Å; S787-L791 PolarHBondContact O-N 3.35Å
788	T	63.6	Low	64.5	Low	26 Å²	26	52.5 Å²	52.5	16%	0.16	25%	0.247	C	C	.	.	H	α-helix	trans	-56.8	-41.9	-177.8	44.2	0	0	0	0	113	F784 K792	F784-T788 WeakPolarHBondContact O-CG2 3.3Å; F784-T788 PolarHBondContact O-N 2.97Å; T788-K792 VanDerWaalsContact C-CE 3.47Å; T788-K792 WeakPolarHBondContact O-CB 3.29Å; T788-K792 WeakPolarHBondContact O-CE 3.22Å; T788-K792 WeakPolarHBondContact O-CG 3.41Å; T788-K792 PolarHBondContact O-N 3.08Å
789	D	62.6	Low	62.9	Low	103 Å²	103	53.3 Å²	53.3	55%	0.551	25%	0.253	S	S	*	.	H	α-helix	trans	-82.1	-31.5	-174.1	-69.4	-89.6	0	0	0	111.9	S787 K792 R793	S787-D789 VanDerWaalsContact C-N 3.3Å; S787-D789 PolarHBondContact O-N 3.49Å; D789-K792 PolarHBondContact O-N 3.28Å; D789-K792 WeakPolarHBondContact OD1-CE 3.3Å; D789-K792 IonicContact OD1-NZ 3.78Å; D789-K792 PolarHBondContact OD1-NZ 3.23Å; D789-K792 IonicContact OD2-NZ 2.74Å; D789-K792 PolarHBondContact OD2-NZ 3.27Å; D789-R793 WeakPolarHBondContact O-CB 3.37Å; D789-R793 PolarHBondContact O-N 2.99Å
790	L	58.6	Low	61.1	Low	33 Å²	33	60 Å²	60	17%	0.173	28%	0.282	C	S	.	.	H	α-helix	trans	-66.5	-43.7	170.3	179.5	148.6	0	0	0	111.5	V521 V525 S787 R793 I794	V521-L790 HydrophobicContact CB-CD1 4.48Å; V521-L790 HydrophobicContact CB-CG 4.25Å; V521-L790 HydrophobicContact CG1-CD2 4.48Å; V521-L790 HydrophobicContact CG1-CG 4.18Å; V521-L790 HydrophobicContact CG2-CD1 4.05Å; V521-L790 HydrophobicContact CG2-CG 3.96Å; V525-L790 HydrophobicContact CG2-CD2 3.62Å; S787-L790 PolarHBondContact O-N 2.89Å; L790-R793 PolarHBondContact O-N 3.38Å; L790-I794 HydrophobicContact CD2-CD1 4.35Å; L790-I794 PolarHBondContact O-N 2.93Å
791	L	60.1	Low	59.3	Low	3 Å²	3	61.1 Å²	61.1	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-69.8	-38.7	172.1	-74.2	163.2	0	0	0	112.3	V525 L528 I773 F784 S787 R793 I794 F795	V525-L791 HydrophobicContact CG2-CD2 3.55Å; V525-L791 HydrophobicContact CG2-CG 4.24Å; L528-L791 HydrophobicContact CD1-CD1 4.24Å; I773-L791 HydrophobicContact CG2-CB 4.18Å; I773-L791 HydrophobicContact CG2-CD1 4.4Å; F784-L791 HydrophobicContact CD1-CD1 3.48Å; F784-L791 VanDerWaalsContact CD1-CD1 3.48Å; F784-L791 HydrophobicContact CE1-CD1 3.84Å; S787-L791 VanDerWaalsContact O-CB 3.28Å; S787-L791 WeakPolarHBondContact O-CB 3.45Å; S787-L791 WeakPolarHBondContact O-CD1 3.45Å; S787-L791 VanDerWaalsContact O-CG 3.31Å; S787-L791 WeakPolarHBondContact O-CG 3.44Å; S787-L791 PolarHBondContact O-N 3.35Å; L791-R793 VanDerWaalsContact C-N 3.33Å; L791-R793 PolarHBondContact O-N 3.19Å; L791-I794 PolarHBondContact O-N 3.13Å; L791-F795 HydrophobicContact CD2-CD2 4.3Å; L791-F795 HydrophobicContact CD2-CE2 3.87Å; L791-F795 WeakPolarHBondContact O-CD2 3.42Å; L791-F795 PolarHBondContact O-N 2.81Å
792	K	62.6	Low	57.2	Low	33 Å²	33	66 Å²	66	14%	0.143	31%	0.313	C	S	.	.	H	α-helix	trans	-57.1	-47.2	169.7	-88.7	170.9	-89.1	167.1	0	110.4	M741 L770 T788 D789 Q796	M741-K792 HydrophobicContact CE-CD 4.38Å; M741-K792 HydrophobicContact CE-CG 3.99Å; M741-K792 HydrophobicContact CG-CD 3.94Å; M741-K792 HydrophobicContact SD-CD 3.76Å; M741-K792 HydrophobicContact SD-CG 3.74Å; L770-K792 HydrophobicContact CD1-CG 4.26Å; T788-K792 VanDerWaalsContact C-CE 3.47Å; T788-K792 WeakPolarHBondContact O-CB 3.29Å; T788-K792 WeakPolarHBondContact O-CE 3.22Å; T788-K792 WeakPolarHBondContact O-CG 3.41Å; T788-K792 PolarHBondContact O-N 3.08Å; D789-K792 PolarHBondContact O-N 3.28Å; D789-K792 WeakPolarHBondContact OD1-CE 3.3Å; D789-K792 IonicContact OD1-NZ 3.78Å; D789-K792 PolarHBondContact OD1-NZ 3.23Å; D789-K792 IonicContact OD2-NZ 2.74Å; D789-K792 PolarHBondContact OD2-NZ 3.27Å; K792-Q796 WeakPolarHBondContact O-CB 3.06Å; K792-Q796 WeakPolarHBondContact O-CG 3.36Å; K792-Q796 PolarHBondContact O-N 2.73Å
793	R	57.6	Low	55.2	Low	126 Å²	126	63.9 Å²	63.9	48%	0.475	31%	0.307	S	S	.	.	H	α-helix	trans	-60	-52	177.2	-166.5	-175.1	-74.9	-173.4	-3.1	110.8	D517 D789 L790 L791 Q796 I797	D517-R793 IonicContact OD2-CZ 3.28Å; D517-R793 IonicContact OD2-NH1 3.14Å; D517-R793 PolarHBondContact OD2-NH1 3.12Å; D789-R793 WeakPolarHBondContact O-CB 3.37Å; D789-R793 PolarHBondContact O-N 2.99Å; L790-R793 PolarHBondContact O-N 3.38Å; L791-R793 VanDerWaalsContact C-N 3.33Å; L791-R793 PolarHBondContact O-N 3.19Å; R793-Q796 PolarHBondContact O-N 3.3Å; R793-I797 HydrophobicContact CG-CD1 3.96Å; R793-I797 VanDerWaalsContact O-CB 3.29Å; R793-I797 WeakPolarHBondContact O-CB 2.93Å; R793-I797 WeakPolarHBondContact O-CD1 3.15Å; R793-I797 WeakPolarHBondContact O-CG1 3.27Å; R793-I797 PolarHBondContact O-N 2.87Å
794	I	55.6	Low	53.5	Low	13 Å²	13	68.1 Å²	68.1	7%	0.067	34%	0.339	C	S	.	.	H	α-helix	trans	-52.4	-57.1	174.8	-88.1	172.1	0	0	0	112.4	V521 V525 L790 L791 Q796 I797 Y798	V521-I794 HydrophobicContact CG1-CD1 3.36Å; V521-I794 HydrophobicContact CG1-CG1 3.37Å; V525-I794 HydrophobicContact CB-CD1 4.16Å; V525-I794 HydrophobicContact CG2-CD1 3.3Å; L790-I794 HydrophobicContact CD2-CD1 4.35Å; L790-I794 PolarHBondContact O-N 2.93Å; L791-I794 PolarHBondContact O-N 3.13Å; I794-Q796 PolarHBondContact O-N 3.45Å; I794-I797 WeakPolarHBondContact O-CA 3.25Å; I794-I797 VanDerWaalsContact O-CB 3.29Å; I794-I797 WeakPolarHBondContact O-CB 3.04Å; I794-I797 PolarHBondContact O-N 3Å; I794-I797 VanDerWaalsContact O-N 3.13Å; I794-Y798 HydrophobicContact CB-CD2 4.46Å; I794-Y798 HydrophobicContact CB-CE2 4.33Å; I794-Y798 HydrophobicContact CG1-CE2 4.24Å; I794-Y798 HydrophobicContact CG2-CD2 3.79Å; I794-Y798 HydrophobicContact CG2-CE2 3.86Å; I794-Y798 WeakPolarHBondContact O-CD2 3.34Å; I794-Y798 PolarHBondContact O-N 3.02Å
795	F	56.9	Low	51.8	Low	35 Å²	35	79.1 Å²	79.1	15%	0.154	38%	0.38	C	S	.	.	H	α-helix	trans	-77.3	-23.6	-172.7	-75.7	-75.7	0	0	0	112.4	L769 L770 I773 L791 I797 S799	L769-F795 HydrophobicContact CB-CD1 3.87Å; L769-F795 HydrophobicContact CB-CE1 3.95Å; L769-F795 HydrophobicContact CD1-CD1 4.35Å; L769-F795 HydrophobicContact CD1-CE1 4.01Å; L770-F795 HydrophobicContact CB-CB 4.07Å; L770-F795 HydrophobicContact CD1-CB 4.08Å; L770-F795 HydrophobicContact CG-CB 4.29Å; I773-F795 HydrophobicContact CD1-CD2 4.3Å; I773-F795 HydrophobicContact CD1-CE2 3.68Å; I773-F795 HydrophobicContact CD1-CZ 4.17Å; I773-F795 HydrophobicContact CG1-CD2 3.77Å; I773-F795 HydrophobicContact CG1-CE2 3.61Å; I773-F795 HydrophobicContact CG1-CG 4.43Å; I773-F795 HydrophobicContact CG1-CZ 4.14Å; L791-F795 HydrophobicContact CD2-CD2 4.3Å; L791-F795 HydrophobicContact CD2-CE2 3.87Å; L791-F795 WeakPolarHBondContact O-CD2 3.42Å; L791-F795 PolarHBondContact O-N 2.81Å; F795-I797 VanDerWaalsContact C-N 3.32Å; F795-S799 WeakPolarHBondContact O-CB 3.07Å; F795-S799 PolarHBondContact O-N 2.83Å; F795-S799 VanDerWaalsContact O-N 3.12Å; F795-S799 PolarHBondContact O-OG 2.95Å
796	Q	57.9	Low	50.1	Low	108 Å²	108	82.1 Å²	82.1	51%	0.505	39%	0.392	S	S	.	.	H	α-helix	trans	-71.2	-27.7	167.4	-72.6	169.8	8.3	0	0	113	K792 R793 I794 K800	K792-Q796 WeakPolarHBondContact O-CB 3.06Å; K792-Q796 WeakPolarHBondContact O-CG 3.36Å; K792-Q796 PolarHBondContact O-N 2.73Å; R793-Q796 PolarHBondContact O-N 3.3Å; I794-Q796 PolarHBondContact O-N 3.45Å; Q796-K800 WeakPolarHBondContact O-CG 3.43Å
797	I	50.9	Low	48.5	Very low	35 Å²	35	81.4 Å²	81.4	18%	0.179	39%	0.392	C	S	.	.	H	α-helix	trans	-68.9	-61.4	171.3	-79.6	171.1	0	0	0	108.9	L473 R793 I794 F795 S799 K800	L473-I797 HydrophobicContact CB-CG2 4.2Å; L473-I797 HydrophobicContact CD1-CG2 3.42Å; L473-I797 VanDerWaalsContact CD1-CG2 3.42Å; L473-I797 HydrophobicContact CD2-CB 4.39Å; L473-I797 HydrophobicContact CD2-CG1 4.19Å; L473-I797 HydrophobicContact CD2-CG2 3.89Å; L473-I797 HydrophobicContact CG-CG2 4.01Å; R793-I797 HydrophobicContact CG-CD1 3.96Å; R793-I797 VanDerWaalsContact O-CB 3.29Å; R793-I797 WeakPolarHBondContact O-CB 2.93Å; R793-I797 WeakPolarHBondContact O-CD1 3.15Å; R793-I797 WeakPolarHBondContact O-CG1 3.27Å; R793-I797 PolarHBondContact O-N 2.87Å; I794-I797 WeakPolarHBondContact O-CA 3.25Å; I794-I797 VanDerWaalsContact O-CB 3.29Å; I794-I797 WeakPolarHBondContact O-CB 3.04Å; I794-I797 PolarHBondContact O-N 3Å; I794-I797 VanDerWaalsContact O-N 3.13Å; F795-I797 VanDerWaalsContact C-N 3.32Å; I797-S799 PolarHBondContact O-N 2.85Å; I797-K800 PolarHBondContact O-N 3.44Å
798	Y	49.3	Very low	47	Very low	51 Å²	51	88.6 Å²	88.6	20%	0.2	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	15.5	-178.8	-52.1	-64.3	0	0	0	114.7	E470 R522 I794 E821	E470-Y798 HydrophobicContact CG-CE1 4.27Å; R522-Y798 PolarHBondContact NE-OH 3.05Å; R522-Y798 PolarHBondContact NH2-OH 2.7Å; R522-Y798 VanDerWaalsContact NH2-OH 3.14Å; I794-Y798 HydrophobicContact CB-CD2 4.46Å; I794-Y798 HydrophobicContact CB-CE2 4.33Å; I794-Y798 HydrophobicContact CG1-CE2 4.24Å; I794-Y798 HydrophobicContact CG2-CD2 3.79Å; I794-Y798 HydrophobicContact CG2-CE2 3.86Å; I794-Y798 WeakPolarHBondContact O-CD2 3.34Å; I794-Y798 PolarHBondContact O-N 3.02Å; Y798-E821 HydrophobicContact CD1-CG 3.88Å; Y798-E821 VanDerWaalsContact CD1-OE1 3.28Å; Y798-E821 WeakPolarHBondContact CD1-OE1 3.5Å; Y798-E821 HydrophobicContact CE1-CG 4.41Å; Y798-E821 HydrophobicContact CG-CG 4.42Å
799	S	50.3	Low	45.3	Very low	18 Å²	18	96.6 Å²	96.6	13%	0.126	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	5.9	172.6	-65.6	0	0	0	0	113.7	N768 F795 I797 P801	N768-S799 VanDerWaalsContact ND2-CB 3.25Å; N768-S799 WeakPolarHBondContact ND2-CB 3.39Å; N768-S799 PolarHBondContact ND2-OG 2.6Å; N768-S799 PolarHBondContact OD1-OG 3.23Å; N768-S799 VanDerWaalsContact OD1-OG 3.12Å; F795-S799 WeakPolarHBondContact O-CB 3.07Å; F795-S799 PolarHBondContact O-N 2.83Å; F795-S799 VanDerWaalsContact O-N 3.12Å; F795-S799 PolarHBondContact O-OG 2.95Å; I797-S799 PolarHBondContact O-N 2.85Å; S799-P801 WeakPolarHBondContact O-CD 3.43Å
800	K	46.5	Very low	43.7	Very low	140 Å²	140	95.7 Å²	95.7	61%	0.609	47%	0.466	S	S	*	.			trans	-103.3	109.7	176	-75.5	173	179	179.8	0	109	Q796 I797 M802	Q796-K800 WeakPolarHBondContact O-CG 3.43Å; I797-K800 PolarHBondContact O-N 3.44Å; K800-M802 VanDerWaalsContact C-N 3.31Å; K800-M802 PolarHBondContact O-N 2.87Å
801	P	41.3	Very low	42.2	Very low	40 Å²	40	98.3 Å²	98.3	26%	0.26	49%	0.493	S	S	.	.			trans	-69.4	96.6	161.1	28.4	-26.8	0	0	0	106.8	S799 R1244	S799-P801 WeakPolarHBondContact O-CD 3.43Å; P801-R1244 PolarHBondContact O-NH1 2.88Å
802	M	34.3	Very low	40.7	Very low	121 Å²	121	105.8 Å²	105.8	60%	0.596	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-85.5	146.1	-175.8	-158.9	146.1	174.5	0	0	110.3	K800 S804	K800-M802 VanDerWaalsContact C-N 3.31Å; K800-M802 PolarHBondContact O-N 2.87Å; M802-S804 PolarHBondContact O-N 2.8Å
803	N	29.8	Very low	39.1	Very low	115 Å²	115	111 Å²	111	62%	0.615	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-78.3	124.9	-153.1	-49.4	-30	0	0	0	113.9	R1244	N803-R1244 PolarHBondContact OD1-NH1 2.96Å; N803-R1244 PolarHBondContact OD1-NH2 3.42Å
804	S	33.2	Very low	38.1	Very low	113 Å²	113	107.6 Å²	107.6	79%	0.79	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-94.8	167.9	143.5	50.3	0	0	0	0	110	M802	M802-S804 PolarHBondContact O-N 2.8Å
805	R	30.9	Very low	37.5	Very low	236 Å²	236	109.9 Å²	109.9	89%	0.891	57%	0.574	S	S	*	*			trans	-99.1	174.7	-165.6	-85.6	177.4	165.4	143.9	-8.2	113.9
806	E	28	Very low	36.7	Very low	158 Å²	158	115.7 Å²	115.7	74%	0.738	60%	0.604	S	S	*	*	S	Bend	trans	-56.9	167.7	173.7	-67.1	121.4	143.2	0	0	114.2
807	E	27.6	Very low	36.2	Very low	188 Å²	188	115.2 Å²	115.2	88%	0.879	60%	0.598	S	S	*	*			trans	65.5	82.6	163.4	-69.4	164.3	-152.9	0	0	117.1
808	D	28.9	Very low	36.3	Very low	166 Å²	166	114 Å²	114	89%	0.888	59%	0.592	S	S	*	*				-153.2	153.7	122.4	-132	-29.7	0	0	0	113.2
809	Q	27.5	Very low	36.3	Very low	194 Å²	194	116.6 Å²	116.6	91%	0.907	62%	0.618	S	S	*	*			trans	-98.9	91.6	-168.6	-64.1	-177.2	24	0	0	113.6
810	S	29.6	Very low	36.5	Very low	83 Å²	83	117.8 Å²	117.8	58%	0.58	62%	0.621	S	S	*	*			trans	-151.9	124.7	164	62.3	0	0	0	0	112.9
811	A	28.3	Very low	36.8	Very low	88 Å²	88	113.8 Å²	113.8	73%	0.727	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	154.4	167.6	0	0	0	0	0	111.1
812	N	27.4	Very low	37.6	Very low	160 Å²	160	116.6 Å²	116.6	86%	0.856	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	99	-0.4	173.6	-52	-22.5	0	0	0	118.9	S814	N812-S814 PolarHBondContact O-N 2.88Å
813	N	30.3	Very low	38.9	Very low	143 Å²	143	115.5 Å²	115.5	77%	0.765	61%	0.607	S	S	*	*			trans	-91.8	100.5	177.7	-76.4	-30.5	0	0	0	113.5
814	S	36.7	Very low	40.3	Very low	55 Å²	55	112.9 Å²	112.9	39%	0.385	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-72.2	147	166.4	54.2	0	0	0	0	111.8	N812 I816	N812-S814 PolarHBondContact O-N 2.88Å; S814-I816 PolarHBondContact O-N 3.16Å
815	P	41.1	Very low	41.6	Very low	61 Å²	61	108.9 Å²	108.9	40%	0.396	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-59.5	120.8	178.1	-20.1	31.8	0	0	0	111.5	R817 I1232	P815-R817 PolarHBondContact O-N 3.34Å; P815-I1232 HydrophobicContact CB-CG2 4.12Å; P815-I1232 VanDerWaalsContact CD-O 3.27Å; P815-I1232 WeakPolarHBondContact CD-O 3.28Å; P815-I1232 HydrophobicContact CG-CG2 4.42Å; P815-I1232 VanDerWaalsContact O-CB 3.29Å; P815-I1232 WeakPolarHBondContact O-CB 3.27Å; P815-I1232 WeakPolarHBondContact O-CD1 3.49Å; P815-I1232 WeakPolarHBondContact O-CG2 3.46Å
816	I	40.8	Very low	43.1	Very low	156 Å²	156	102 Å²	102	80%	0.8	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-72.3	118.6	-177.6	-60	171.2	0	0	0	109.1	S814	S814-I816 PolarHBondContact O-N 3.16Å
817	R	48.5	Very low	44.7	Very low	99 Å²	99	96.3 Å²	96.3	37%	0.374	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-85	152.6	165.8	-73	-178	-173.8	162.9	4.6	109.7	P815 E821 I1232 V1233	P815-R817 PolarHBondContact O-N 3.34Å; R817-E821 HydrophobicContact CB-CB 4.49Å; R817-E821 VanDerWaalsContact CB-OE2 3.3Å; R817-E821 WeakPolarHBondContact CB-OE2 3.4Å; R817-E821 VanDerWaalsContact CG-OE2 3.29Å; R817-E821 WeakPolarHBondContact CG-OE2 3.49Å; R817-I1232 HydrophobicContact CB-CD1 4.23Å; R817-I1232 HydrophobicContact CG-CD1 4.13Å; R817-I1232 HydrophobicContact CG-CG2 4.08Å; R817-V1233 PolarHBondContact NH2-O 3.41Å; R817-V1233 VanDerWaalsContact NH2-O 3.11Å
818	S	51.3	Low	46.2	Very low	9 Å²	9	88.6 Å²	88.6	6%	0.063	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-69.3	147.2	173.5	85.3	0	0	0	0	110.3	E470 F820 E821 E822	E470-S818 VanDerWaalsContact OE1-CB 3.31Å; E470-S818 WeakPolarHBondContact OE1-CB 3.42Å; E470-S818 PolarHBondContact OE1-OG 3.04Å; S818-F820 PolarHBondContact O-N 2.98Å; S818-F820 VanDerWaalsContact O-N 3.17Å; S818-E821 WeakPolarHBondContact O-CB 3.48Å; S818-E821 PolarHBondContact O-N 3.02Å; S818-E821 PolarHBondContact OG-N 3.2Å; S818-E821 VanDerWaalsContact OG-N 3.12Å; S818-E822 PolarHBondContact O-N 3.3Å
819	S	50.3	Low	47.8	Very low	105 Å²	105	84 Å²	84	73%	0.734	46%	0.457	S	S	*	.	H	α-helix	trans	-58	-28.9	175.1	51.3	0	0	0	0	112	E823	S819-E823 VanDerWaalsContact O-CB 3.31Å; S819-E823 WeakPolarHBondContact O-CB 3.19Å; S819-E823 PolarHBondContact O-N 3.36Å
820	F	54.1	Low	49.5	Very low	43 Å²	43	76.4 Å²	76.4	19%	0.189	43%	0.43	C	S	.	.	H	α-helix	trans	-67.4	-43.3	172.4	-177.2	-101.1	0	0	0	112.4	R522 S818 E822 E823 R824	R522-F820 HydrophobicContact CG-CZ 4.24Å; S818-F820 PolarHBondContact O-N 2.98Å; S818-F820 VanDerWaalsContact O-N 3.17Å; F820-E822 VanDerWaalsContact C-N 3.32Å; F820-E822 PolarHBondContact O-N 3.35Å; F820-E823 PolarHBondContact O-N 3.13Å; F820-R824 HydrophobicContact CD1-CG 4.2Å; F820-R824 HydrophobicContact CD2-CG 4.14Å; F820-R824 HydrophobicContact CE1-CG 3.9Å; F820-R824 HydrophobicContact CE2-CG 3.84Å; F820-R824 HydrophobicContact CG-CG 4.32Å; F820-R824 HydrophobicContact CZ-CG 3.71Å; F820-R824 WeakPolarHBondContact O-CB 3.29Å; F820-R824 WeakPolarHBondContact O-CG 3.31Å; F820-R824 PolarHBondContact O-N 3.46Å
821	E	53.9	Low	51.1	Low	57 Å²	57	73.1 Å²	73.1	27%	0.266	41%	0.406	S	S	.	.	H	α-helix	trans	-58.2	-43.9	174.9	-75.9	-175.3	160.4	0	0	112.1	Y798 R817 S818 L825	Y798-E821 HydrophobicContact CD1-CG 3.88Å; Y798-E821 VanDerWaalsContact CD1-OE1 3.28Å; Y798-E821 WeakPolarHBondContact CD1-OE1 3.5Å; Y798-E821 HydrophobicContact CE1-CG 4.41Å; Y798-E821 HydrophobicContact CG-CG 4.42Å; R817-E821 HydrophobicContact CB-CB 4.49Å; R817-E821 VanDerWaalsContact CB-OE2 3.3Å; R817-E821 WeakPolarHBondContact CB-OE2 3.4Å; R817-E821 VanDerWaalsContact CG-OE2 3.29Å; R817-E821 WeakPolarHBondContact CG-OE2 3.49Å; S818-E821 WeakPolarHBondContact O-CB 3.48Å; S818-E821 PolarHBondContact O-N 3.02Å; S818-E821 PolarHBondContact OG-N 3.2Å; S818-E821 VanDerWaalsContact OG-N 3.12Å; E821-L825 WeakPolarHBondContact O-CB 3.29Å; E821-L825 PolarHBondContact O-N 3.02Å
822	E	58	Low	52.9	Low	99 Å²	99	69.8 Å²	69.8	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-69.6	-45.8	179.9	-179	157.8	-137.2	0	0	112.3	S818 F820 R824 L825 V826 L1230	S818-E822 PolarHBondContact O-N 3.3Å; F820-E822 VanDerWaalsContact C-N 3.32Å; F820-E822 PolarHBondContact O-N 3.35Å; E822-R824 VanDerWaalsContact C-N 3.32Å; E822-R824 PolarHBondContact O-N 2.99Å; E822-L825 WeakPolarHBondContact O-CB 3.49Å; E822-L825 PolarHBondContact O-N 3.22Å; E822-L825 VanDerWaalsContact O-N 3.16Å; E822-V826 WeakPolarHBondContact O-CG2 2.98Å; E822-V826 PolarHBondContact O-N 2.85Å; E822-L1230 WeakPolarHBondContact OE1-CD1 3.13Å
823	E	61.3	Low	54.8	Low	97 Å²	97	66.9 Å²	66.9	45%	0.453	36%	0.357	S	S	.	.	H	α-helix	trans	-57.1	-45.5	174.4	-173.2	-150.9	-170.3	0	0	111.2	S819 F820 L825 V826 Q827	S819-E823 VanDerWaalsContact O-CB 3.31Å; S819-E823 WeakPolarHBondContact O-CB 3.19Å; S819-E823 PolarHBondContact O-N 3.36Å; F820-E823 PolarHBondContact O-N 3.13Å; E823-L825 PolarHBondContact O-N 3.19Å; E823-V826 PolarHBondContact O-N 2.88Å; E823-Q827 PolarHBondContact O-N 3.38Å
824	R	59.6	Low	56.7	Low	61 Å²	61	60.8 Å²	60.8	23%	0.23	33%	0.325	C	S	.	.	H	α-helix	trans	-71.6	-27.8	178.4	-60.5	-56.8	134.3	174.5	6.3	112.8	F820 E822 A828	F820-R824 HydrophobicContact CD1-CG 4.2Å; F820-R824 HydrophobicContact CD2-CG 4.14Å; F820-R824 HydrophobicContact CE1-CG 3.9Å; F820-R824 HydrophobicContact CE2-CG 3.84Å; F820-R824 HydrophobicContact CG-CG 4.32Å; F820-R824 HydrophobicContact CZ-CG 3.71Å; F820-R824 WeakPolarHBondContact O-CB 3.29Å; F820-R824 WeakPolarHBondContact O-CG 3.31Å; F820-R824 PolarHBondContact O-N 3.46Å; E822-R824 VanDerWaalsContact C-N 3.32Å; E822-R824 PolarHBondContact O-N 2.99Å; R824-A828 VanDerWaalsContact O-CB 3.22Å; R824-A828 WeakPolarHBondContact O-CB 3.14Å; R824-A828 PolarHBondContact O-N 2.92Å
825	L	59.2	Low	58.5	Low	29 Å²	29	58.2 Å²	58.2	15%	0.152	31%	0.307	C	S	.	.	H	α-helix	trans	-67.2	-43.3	169.7	178	61.2	0	0	0	111.5	L769 E821 E822 E823 A828 K829	L769-L825 HydrophobicContact CD1-CD1 4.01Å; L769-L825 HydrophobicContact CD2-CD1 3.79Å; E821-L825 WeakPolarHBondContact O-CB 3.29Å; E821-L825 PolarHBondContact O-N 3.02Å; E822-L825 WeakPolarHBondContact O-CB 3.49Å; E822-L825 PolarHBondContact O-N 3.22Å; E822-L825 VanDerWaalsContact O-N 3.16Å; E823-L825 PolarHBondContact O-N 3.19Å; L825-A828 PolarHBondContact O-N 3.49Å; L825-K829 VanDerWaalsContact O-CG 3.3Å; L825-K829 WeakPolarHBondContact O-CG 3.26Å; L825-K829 PolarHBondContact O-N 3.48Å
826	V	63.4	Low	60.4	Low	90 Å²	90	56.4 Å²	56.4	55%	0.545	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-43.9	174.7	173.2	0	0	0	0	110.9	E822 E823 K829 G830	E822-V826 WeakPolarHBondContact O-CG2 2.98Å; E822-V826 PolarHBondContact O-N 2.85Å; E823-V826 PolarHBondContact O-N 2.88Å; V826-K829 WeakPolarHBondContact O-CB 3.25Å; V826-K829 PolarHBondContact O-N 2.9Å; V826-G830 PolarHBondContact O-N 3.46Å; V826-G830 VanDerWaalsContact O-N 3.12Å
827	Q	61.2	Low	62.5	Low	39 Å²	39	49.4 Å²	49.4	18%	0.182	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-47.7	174.7	-162.5	-177.2	16.9	0	0	111.1	L529 E823 K829 G830 L831	L529-Q827 HydrophobicContact CD1-CG 4.47Å; L529-Q827 VanDerWaalsContact CD1-OE1 3.24Å; E823-Q827 PolarHBondContact O-N 3.38Å; Q827-K829 VanDerWaalsContact C-N 3.31Å; Q827-K829 PolarHBondContact O-N 3.27Å; Q827-G830 PolarHBondContact O-N 3.11Å; Q827-L831 HydrophobicContact CG-CD1 4.04Å; Q827-L831 WeakPolarHBondContact O-CG 3.19Å; Q827-L831 PolarHBondContact O-N 3.34Å; Q827-L831 VanDerWaalsContact O-N 3.14Å
828	A	59.1	Low	64.2	Low	27 Å²	27	46.7 Å²	46.7	22%	0.223	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-37.5	178.4	0	0	0	0	0	113	R824 L825 L831 L832	R824-A828 VanDerWaalsContact O-CB 3.22Å; R824-A828 WeakPolarHBondContact O-CB 3.14Å; R824-A828 PolarHBondContact O-N 2.92Å; L825-A828 PolarHBondContact O-N 3.49Å; A828-L831 PolarHBondContact O-N 2.78Å; A828-L832 WeakPolarHBondContact O-CD1 3.45Å; A828-L832 PolarHBondContact O-N 3.29Å
829	K	62.6	Low	65.8	Low	70 Å²	70	46.3 Å²	46.3	30%	0.304	25%	0.247	S	C	.	.	H	α-helix	trans	-61.1	-48.9	173.1	-75.4	167	170.5	-177.3	0	112.1	L825 V826 Q827 L831 L832 Q833 N1165 V1166	L825-K829 VanDerWaalsContact O-CG 3.3Å; L825-K829 WeakPolarHBondContact O-CG 3.26Å; L825-K829 PolarHBondContact O-N 3.48Å; V826-K829 WeakPolarHBondContact O-CB 3.25Å; V826-K829 PolarHBondContact O-N 2.9Å; Q827-K829 VanDerWaalsContact C-N 3.31Å; Q827-K829 PolarHBondContact O-N 3.27Å; K829-L831 PolarHBondContact O-N 3.43Å; K829-L832 WeakPolarHBondContact O-CB 3.39Å; K829-L832 PolarHBondContact O-N 2.89Å; K829-L832 VanDerWaalsContact O-N 3.08Å; K829-Q833 PolarHBondContact O-N 2.75Å; K829-N1165 WeakPolarHBondContact CE-O 3.32Å; K829-N1165 PolarHBondContact NZ-O 3.11Å; K829-V1166 WeakPolarHBondContact CE-O 3.5Å
830	G	63.5	Low	67.3	Low	33 Å²	33	42.4 Å²	42.4	34%	0.34	22%	0.217	S	C	.	.	H	α-helix	trans	-59	-37	179	0	0	0	0	0	112.9	V826 Q827 L832 Q833	V826-G830 PolarHBondContact O-N 3.46Å; V826-G830 VanDerWaalsContact O-N 3.12Å; Q827-G830 PolarHBondContact O-N 3.11Å; G830-L832 VanDerWaalsContact C-N 3.29Å; G830-L832 PolarHBondContact O-N 2.93Å; G830-Q833 PolarHBondContact O-N 2.97Å
831	L	63.1	Low	68.6	Low	14 Å²	14	40.9 Å²	40.9	7%	0.073	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-11.3	179	-60.4	170.8	0	0	0	114.4	L529 C532 E533 Q827 A828 K829 F835	L529-L831 HydrophobicContact CB-CD1 3.59Å; L529-L831 HydrophobicContact CD2-CD1 3.52Å; L529-L831 HydrophobicContact CG-CD1 4.03Å; L529-L831 WeakPolarHBondContact O-CD2 3.25Å; C532-L831 HydrophobicContact CB-CB 4.13Å; C532-L831 HydrophobicContact CB-CD1 4.32Å; C532-L831 HydrophobicContact CB-CD2 3.84Å; C532-L831 HydrophobicContact CB-CG 4.32Å; E533-L831 HydrophobicContact CB-CD2 3.6Å; E533-L831 HydrophobicContact CG-CD2 4.09Å; E533-L831 VanDerWaalsContact N-CD2 3.29Å; Q827-L831 HydrophobicContact CG-CD1 4.04Å; Q827-L831 WeakPolarHBondContact O-CG 3.19Å; Q827-L831 PolarHBondContact O-N 3.34Å; Q827-L831 VanDerWaalsContact O-N 3.14Å; A828-L831 PolarHBondContact O-N 2.78Å; K829-L831 PolarHBondContact O-N 3.43Å; L831-F835 VanDerWaalsContact O-CD2 3.27Å; L831-F835 WeakPolarHBondContact O-CD2 3.31Å; L831-F835 WeakPolarHBondContact O-CE2 3.37Å
832	L	65.6	Low	69.7	Low	18 Å²	18	42.7 Å²	42.7	9%	0.094	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-30.1	173.9	-89.4	156.8	0	0	0	112.6	L772 L776 A828 K829 G830 P834 F835 C836	L772-L832 HydrophobicContact CD1-CD1 3.95Å; L772-L832 HydrophobicContact CD1-CD2 3.95Å; L772-L832 HydrophobicContact CD2-CD1 3.42Å; L772-L832 VanDerWaalsContact CD2-CD1 3.42Å; L772-L832 HydrophobicContact CG-CD1 3.83Å; L772-L832 HydrophobicContact CG-CD2 4.44Å; L776-L832 HydrophobicContact CD1-CD2 3.88Å; L776-L832 HydrophobicContact CD1-CG 4.18Å; L776-L832 HydrophobicContact CD2-CD2 3.79Å; L776-L832 HydrophobicContact CG-CD2 3.95Å; A828-L832 WeakPolarHBondContact O-CD1 3.45Å; A828-L832 PolarHBondContact O-N 3.29Å; K829-L832 WeakPolarHBondContact O-CB 3.39Å; K829-L832 PolarHBondContact O-N 2.89Å; K829-L832 VanDerWaalsContact O-N 3.08Å; G830-L832 VanDerWaalsContact C-N 3.29Å; G830-L832 PolarHBondContact O-N 2.93Å; L832-P834 VanDerWaalsContact C-CD 3.45Å; L832-F835 PolarHBondContact O-N 3.13Å; L832-F835 VanDerWaalsContact O-N 3.08Å; L832-C836 HydrophobicContact CD2-CB 4.34Å; L832-C836 VanDerWaalsContact O-CB 3.24Å; L832-C836 WeakPolarHBondContact O-CB 3.03Å; L832-C836 PolarHBondContact O-N 3.05Å
833	Q	67.1	Low	70.5	Confident	99 Å²	99	42.5 Å²	42.5	46%	0.463	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-46.6	-173.7	-170.2	174.6	-2.1	0	0	115.4	K829 G830 F835	K829-Q833 PolarHBondContact O-N 2.75Å; G830-Q833 PolarHBondContact O-N 2.97Å; Q833-F835 VanDerWaalsContact C-N 3.33Å; Q833-F835 PolarHBondContact O-N 2.99Å
834	P	69.5	Low	71.1	Confident	15 Å²	15	38.8 Å²	38.8	10%	0.097	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-25.3	-177.8	33	-40.9	0	0	0	113.2	T536 V539 W610 L832	T536-P834 HydrophobicContact CG2-CB 4.22Å; T536-P834 HydrophobicContact CG2-CG 3.61Å; T536-P834 WeakPolarHBondContact OG1-CG 3.09Å; V539-P834 HydrophobicContact CB-CB 4.42Å; V539-P834 HydrophobicContact CG1-CB 4.31Å; W610-P834 WeakPolarHBondContact CZ2-O 3.15Å; W610-P834 PolarHBondContact NE1-O 2.98Å; L832-P834 VanDerWaalsContact C-CD 3.45Å
835	F	75.6	Confident	71.5	Confident	1 Å²	1	36.8 Å²	36.8	0%	0.004	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-6.9	-173.2	-44.1	-50.3	0	0	0	112.5	L535 V619 G621 I622 M780 L831 L832 Q833	L535-F835 HydrophobicContact CB-CZ 3.95Å; V619-F835 HydrophobicContact CG1-CD1 3.62Å; V619-F835 HydrophobicContact CG1-CE1 3.66Å; G621-F835 CarbonylContact C-O 3.54Å; I622-F835 PolarHBondContact N-O 3.4Å; M780-F835 HydrophobicContact CE-CD2 3.54Å; M780-F835 HydrophobicContact CE-CE2 3.81Å; M780-F835 HydrophobicContact CE-CG 4.03Å; M780-F835 HydrophobicContact SD-CD2 4.47Å; M780-F835 HydrophobicContact SD-CE2 4.42Å; L831-F835 VanDerWaalsContact O-CD2 3.27Å; L831-F835 WeakPolarHBondContact O-CD2 3.31Å; L831-F835 WeakPolarHBondContact O-CE2 3.37Å; L832-F835 PolarHBondContact O-N 3.13Å; L832-F835 VanDerWaalsContact O-N 3.08Å; Q833-F835 VanDerWaalsContact C-N 3.33Å; Q833-F835 PolarHBondContact O-N 2.99Å
836	C	81.5	Confident	71.8	Confident	23 Å²	23	39.3 Å²	39.3	16%	0.155	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	93	-173.7	-168.2	0	0	0	0	111.3	I622 A624 L832 R838	I622-C836 HydrophobicContact CB-CB 4.46Å; I622-C836 WeakPolarHBondContact O-CA 3.32Å; A624-C836 VanDerWaalsContact CB-SG 3.58Å; L832-C836 HydrophobicContact CD2-CB 4.34Å; L832-C836 VanDerWaalsContact O-CB 3.24Å; L832-C836 WeakPolarHBondContact O-CB 3.03Å; L832-C836 PolarHBondContact O-N 3.05Å; C836-R838 PolarHBondContact O-N 3.01Å
837	L	84	Confident	72	Confident	9 Å²	9	43.7 Å²	43.7	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	107.1	174.7	-178.4	58.9	0	0	0	109.8	V401 W610 I622 L623 A624 D625 R839	V401-L837 HydrophobicContact CG2-CD1 4.31Å; W610-L837 HydrophobicContact CB-CD2 4.08Å; W610-L837 HydrophobicContact CD2-CB 3.78Å; W610-L837 HydrophobicContact CD2-CD2 3.8Å; W610-L837 HydrophobicContact CD2-CG 4.37Å; W610-L837 HydrophobicContact CE3-CB 3.69Å; W610-L837 HydrophobicContact CE3-CD2 3.69Å; W610-L837 HydrophobicContact CE3-CG 4.35Å; W610-L837 HydrophobicContact CG-CD2 3.99Å; W610-L837 HydrophobicContact CH2-CB 3.65Å; W610-L837 HydrophobicContact CZ2-CB 3.71Å; W610-L837 HydrophobicContact CZ3-CB 3.63Å; W610-L837 HydrophobicContact CZ3-CD2 4.38Å; I622-L837 PolarHBondContact O-N 3.14Å; L623-L837 HydrophobicContact CD1-CB 4.2Å; L623-L837 HydrophobicContact CD1-CD2 3.95Å; L623-L837 HydrophobicContact CD1-CG 4.23Å; A624-L837 CarbonylContact C-O 3.44Å; A624-L837 WeakPolarHBondContact CA-O 3.42Å; A624-L837 PolarHBondContact N-O 2.88Å; D625-L837 PolarHBondContact N-O 2.87Å; L837-R839 HydrophobicContact CD1-CG 4.29Å
838	R	84.4	Confident	72.6	Confident	42 Å²	42	43.3 Å²	43.3	16%	0.158	25%	0.253	C	S	.	.			trans	-113.7	121.9	176.5	175.1	61.5	170.6	-152.1	-11	109.8	A624 G762 C836 E1163	A624-R838 HydrophobicContact CB-CB 4.24Å; A624-R838 WeakPolarHBondContact O-CD 3.47Å; A624-R838 PolarHBondContact O-NH1 3.14Å; G762-R838 PolarHBondContact O-NH1 2.89Å; C836-R838 PolarHBondContact O-N 3.01Å; R838-E1163 IonicContact CZ-OE1 2.75Å; R838-E1163 IonicContact NH1-OE1 3.63Å; R838-E1163 IonicContact NH2-OE1 3.01Å; R838-E1163 PolarHBondContact NH2-OE1 2.92Å; R838-E1163 IonicContact NH2-OE2 3.74Å
839	R	83.9	Confident	73.8	Confident	2 Å²	2	43 Å²	43	1%	0.008	25%	0.249	C	C	.	.			trans	-131.1	146.2	172.4	-64.2	166.7	-64.2	-171.9	7.3	110.3	Y603 D625 E626 L629 L837 V844	Y603-R839 PolarHBondContact O-NH1 2.81Å; D625-R839 VanDerWaalsContact CG-NH2 3.27Å; D625-R839 IonicContact OD1-CZ 3.17Å; D625-R839 IonicContact OD1-NE 2.68Å; D625-R839 PolarHBondContact OD1-NE 3.33Å; D625-R839 IonicContact OD1-NH2 3.36Å; D625-R839 PolarHBondContact OD1-NH2 2.64Å; D625-R839 IonicContact OD2-CZ 3.8Å; D625-R839 IonicContact OD2-NE 2.66Å; D625-R839 IonicContact OD2-NH2 4Å; D625-R839 PolarHBondContact OD2-NH2 3.1Å; E626-R839 PolarHBondContact N-O 3.04Å; L629-R839 HydrophobicContact CD1-CB 4.4Å; L629-R839 WeakPolarHBondContact CD1-O 3.29Å; L837-R839 HydrophobicContact CD1-CG 4.29Å; R839-V844 HydrophobicContact CB-CG1 4.08Å; R839-V844 HydrophobicContact CG-CG1 4.44Å
840	L	82.7	Confident	75	Confident	22 Å²	22	43.8 Å²	43.8	12%	0.115	26%	0.261	C	S	.	.			trans	-104	153.7	-179.9	-56.5	-178.6	0	0	0	111.7	E626 S842 Q843 V844 C1169	E626-L840 WeakPolarHBondContact OE2-CA 3.47Å; E626-L840 WeakPolarHBondContact OE2-CB 3.44Å; L840-S842 VanDerWaalsContact C-N 3.27Å; L840-S842 PolarHBondContact O-N 2.75Å; L840-Q843 HydrophobicContact CB-CG 4.14Å; L840-Q843 WeakPolarHBondContact O-CB 3.48Å; L840-Q843 PolarHBondContact O-N 3.31Å; L840-V844 PolarHBondContact O-N 2.92Å; L840-C1169 HydrophobicContact CD1-CB 3.78Å
841	K	81.4	Confident	76.3	Confident	12 Å²	12	44.9 Å²	44.9	5%	0.052	26%	0.257	C	S	.	.	H	α-helix	trans	-52.7	-45.6	174.9	-69.3	173	-177	-176.6	0	111.7	E626 M627 L629 Q843 V844 L845 L848 D1126 H1129	E626-K841 HydrophobicContact CB-CG 4.45Å; E626-K841 HydrophobicContact CG-CD 4.48Å; E626-K841 HydrophobicContact CG-CG 4.25Å; E626-K841 WeakPolarHBondContact OE1-CD 3.09Å; E626-K841 PolarHBondContact OE2-N 2.63Å; M627-K841 WeakPolarHBondContact O-CE 3.02Å; L629-K841 HydrophobicContact CD2-CG 3.97Å; K841-Q843 PolarHBondContact O-N 2.85Å; K841-V844 PolarHBondContact O-N 3.46Å; K841-L845 CarbonylContact O-C 3.59Å; K841-L845 WeakPolarHBondContact O-CA 3.22Å; K841-L845 PolarHBondContact O-N 2.89Å; K841-L848 HydrophobicContact CB-CD1 4.28Å; K841-L848 HydrophobicContact CD-CD1 4.13Å; K841-L848 HydrophobicContact CG-CD1 4.13Å; K841-D1126 IonicContact NZ-OD1 3.85Å; K841-D1126 PolarHBondContact NZ-OD1 2.95Å; K841-D1126 IonicContact NZ-OD2 2.69Å; K841-D1126 PolarHBondContact NZ-OD2 2.71Å; K841-H1129 PolarHBondContact NZ-ND1 3.47Å; K841-H1129 PolarHBondContact NZ-O 3.14Å
842	S	77.1	Confident	77.7	Confident	95 Å²	95	47.7 Å²	47.7	66%	0.664	27%	0.274	S	S	*	.	H	α-helix	trans	-62.5	-20.2	177.8	52.6	0	0	0	0	114.6	L840	L840-S842 VanDerWaalsContact C-N 3.27Å; L840-S842 PolarHBondContact O-N 2.75Å
843	Q	74.9	Confident	79	Confident	95 Å²	95	50.5 Å²	50.5	44%	0.444	29%	0.292	S	S	.	.	H	α-helix	trans	-91.8	-28.7	179.4	-65.5	168.5	-30.4	0	0	113	L840 K841	L840-Q843 HydrophobicContact CB-CG 4.14Å; L840-Q843 WeakPolarHBondContact O-CB 3.48Å; L840-Q843 PolarHBondContact O-N 3.31Å; K841-Q843 PolarHBondContact O-N 2.85Å
844	V	72.9	Confident	80.3	Confident	18 Å²	18	51 Å²	51	11%	0.109	30%	0.295	C	S	.	.	H	α-helix	trans	-125.5	-8.8	-169.4	-53.3	0	0	0	0	115.1	Y603 L629 R839 L840 K841	Y603-V844 HydrophobicContact CD1-CB 3.95Å; Y603-V844 HydrophobicContact CD1-CG2 4.07Å; Y603-V844 HydrophobicContact CD2-CB 4.27Å; Y603-V844 HydrophobicContact CD2-CG2 3.97Å; Y603-V844 HydrophobicContact CE1-CG2 4.28Å; Y603-V844 HydrophobicContact CE2-CG2 4.19Å; Y603-V844 HydrophobicContact CG-CB 3.77Å; Y603-V844 HydrophobicContact CG-CG1 4.3Å; Y603-V844 HydrophobicContact CG-CG2 3.92Å; L629-V844 HydrophobicContact CD1-CG2 3.96Å; L629-V844 HydrophobicContact CD2-CG2 3.76Å; R839-V844 HydrophobicContact CB-CG1 4.08Å; R839-V844 HydrophobicContact CG-CG1 4.44Å; L840-V844 PolarHBondContact O-N 2.92Å; K841-V844 PolarHBondContact O-N 3.46Å
845	L	68.4	Low	81.5	Confident	19 Å²	19	53.8 Å²	53.8	10%	0.099	31%	0.312	C	S	.	.			trans	-137.3	65.6	-179.3	-71.4	175.1	0	0	0	111.6	Y603 L629 K841 Q847 L848 L1131	Y603-L845 HydrophobicContact CE1-CD2 3.87Å; Y603-L845 HydrophobicContact CE1-CG 4.16Å; L629-L845 HydrophobicContact CD2-CD1 3.47Å; L629-L845 VanDerWaalsContact CD2-CD1 3.47Å; L629-L845 HydrophobicContact CD2-CG 4.19Å; K841-L845 CarbonylContact O-C 3.59Å; K841-L845 WeakPolarHBondContact O-CA 3.22Å; K841-L845 PolarHBondContact O-N 2.89Å; L845-Q847 PolarHBondContact O-N 2.96Å; L845-L848 HydrophobicContact CB-CB 4.42Å; L845-L848 HydrophobicContact CB-CD1 3.92Å; L845-L848 HydrophobicContact CB-CG 3.96Å; L845-L848 HydrophobicContact CD1-CD1 3.57Å; L845-L848 HydrophobicContact CD1-CG 3.99Å; L845-L848 HydrophobicContact CG-CD1 4.4Å; L845-L848 PolarHBondContact O-N 3.31Å; L845-L848 VanDerWaalsContact O-N 3.09Å; L845-L1131 HydrophobicContact CD1-CD2 3.6Å; L845-L1131 HydrophobicContact CD1-CG 4.14Å; L845-L1131 HydrophobicContact CD2-CD2 3.88Å; L845-L1131 HydrophobicContact CG-CD2 4.42Å
846	G	67	Low	82.5	Confident	83 Å²	83	54.5 Å²	54.5	86%	0.856	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	0.9	166.3	0	0	0	0	0	114.8
847	Q	66	Low	83.1	Confident	182 Å²	182	56.8 Å²	56.8	85%	0.85	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-6.2	174.2	-66.3	178.2	-14.1	0	0	113.4	L845	L845-Q847 PolarHBondContact O-N 2.96Å
848	L	74.8	Confident	83.7	Confident	30 Å²	30	56.6 Å²	56.6	16%	0.157	33%	0.331	C	S	.	.	S	Bend	trans	-74.2	139	171.8	-84.3	175.4	0	0	0	109.8	K841 L845	K841-L848 HydrophobicContact CB-CD1 4.28Å; K841-L848 HydrophobicContact CD-CD1 4.13Å; K841-L848 HydrophobicContact CG-CD1 4.13Å; L845-L848 HydrophobicContact CB-CB 4.42Å; L845-L848 HydrophobicContact CB-CD1 3.92Å; L845-L848 HydrophobicContact CB-CG 3.96Å; L845-L848 HydrophobicContact CD1-CD1 3.57Å; L845-L848 HydrophobicContact CD1-CG 3.99Å; L845-L848 HydrophobicContact CG-CD1 4.4Å; L845-L848 PolarHBondContact O-N 3.31Å; L845-L848 VanDerWaalsContact O-N 3.09Å
849	P	83.4	Confident	84.2	Confident	20 Å²	20	59.1 Å²	59.1	13%	0.13	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-55.8	151.4	168.4	-24.6	34.6	0	0	0	111.9	H1129 Q1133 K1134 N1135	P849-H1129 PolarHBondContact O-NE2 2.71Å; P849-Q1133 HydrophobicContact CG-CG 4.34Å; P849-K1134 WeakPolarHBondContact CG-O 3.4Å; P849-N1135 WeakPolarHBondContact CB-O 3.42Å; P849-N1135 WeakPolarHBondContact CG-O 3.5Å
850	P	87.6	Confident	84.6	Confident	88 Å²	88	60.2 Å²	60.2	57%	0.571	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-63.4	145.9	178.5	27.1	-33.9	0	0	0	111.1	P1136 V1137	P850-P1136 HydrophobicContact CG-CB 4.24Å; P850-V1137 PolarHBondContact O-N 3.45Å
851	K	90.5	Very high	85.1	Confident	56 Å²	56	60.2 Å²	60.2	24%	0.243	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116.5	168.5	178.9	173.5	60	168.7	0	108.5	E1125 D1126 H1129 V1137 V1139	K851-E1125 IonicContact NZ-OE1 2.66Å; K851-E1125 PolarHBondContact NZ-OE1 3.42Å; K851-D1126 IonicContact NZ-OD1 3.77Å; K851-D1126 PolarHBondContact NZ-OD1 2.71Å; K851-H1129 HydrophobicContact CD-CB 4.01Å; K851-V1137 CarbonylContact C-O 3.55Å; K851-V1137 VanDerWaalsContact CA-O 3.31Å; K851-V1137 WeakPolarHBondContact CA-O 3.43Å; K851-V1137 HydrophobicContact CB-CB 4.37Å; K851-V1137 HydrophobicContact CD-CG1 4.44Å; K851-V1137 HydrophobicContact CG-CB 4.31Å; K851-V1137 HydrophobicContact CG-CG1 4.16Å; K851-V1139 HydrophobicContact CD-CG2 4.03Å; K851-V1139 HydrophobicContact CG-CG2 4.02Å
852	T	92.8	Very high	85.6	Confident	72 Å²	72	68.7 Å²	68.7	44%	0.442	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	143	173.2	61.6	0	0	0	0	109.7	V1137 H1138 V1139	T852-V1137 PolarHBondContact N-O 3.06Å; T852-H1138 PolarHBondContact OG1-ND1 2.67Å; T852-V1139 PolarHBondContact O-N 3.33Å
853	T	92.7	Very high	86.2	Confident	77 Å²	77	66.3 Å²	66.3	47%	0.472	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.1	175.2	-55.1	0	0	0	0	110	V1139	T853-V1139 CarbonylContact C-O 3.58Å; T853-V1139 WeakPolarHBondContact CA-O 3.31Å; T853-V1139 HydrophobicContact CG2-CB 4.26Å; T853-V1139 HydrophobicContact CG2-CG1 4.32Å
854	E	94.6	Very high	87.1	Confident	109 Å²	109	61.8 Å²	61.8	51%	0.509	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.6	177.9	-172.2	-179	-178.2	0	0	109.5	V856 V1139 R1141	E854-V856 HydrophobicContact CG-CG2 3.95Å; E854-V1139 PolarHBondContact N-O 3.45Å; E854-R1141 PolarHBondContact O-N 3.15Å
855	V	95.2	Very high	88	Confident	75 Å²	75	62 Å²	62	46%	0.455	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111.7	168.3	179.8	0	0	0	0	107.1	R1141 I1143 L1153	V855-R1141 HydrophobicContact CG2-CB 4.42Å; V855-I1143 HydrophobicContact CG1-CG1 3.81Å; V855-L1153 HydrophobicContact CG1-CD2 3.81Å; V855-L1153 HydrophobicContact CG2-CD1 4.48Å
856	V	96.4	Very high	89.1	Confident	15 Å²	15	64.7 Å²	64.7	9%	0.091	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.1	179.1	174.9	0	0	0	0	108.2	E854 V858 W1024 I1140 R1141 L1142 I1143	E854-V856 HydrophobicContact CG-CG2 3.95Å; V856-V858 HydrophobicContact CG1-CG2 3.92Å; V856-W1024 HydrophobicContact CG2-CZ2 4.35Å; V856-I1140 HydrophobicContact CB-CG2 4.39Å; V856-I1140 HydrophobicContact CG2-CG2 3.67Å; V856-R1141 PolarHBondContact N-O 3.37Å; V856-L1142 HydrophobicContact CB-CD2 4.01Å; V856-L1142 HydrophobicContact CG1-CD2 4.18Å; V856-I1143 PolarHBondContact O-N 3.21Å
857	S	95.3	Very high	90.1	Very high	71 Å²	71	63.2 Å²	63.2	50%	0.497	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	131.3	168.2	-142.1	0	0	0	0	109.1	E1145	S857-E1145 WeakPolarHBondContact CB-OE1 3.22Å; S857-E1145 WeakPolarHBondContact OG-CG 3.49Å; S857-E1145 PolarHBondContact OG-OE1 3.24Å
858	V	95.5	Very high	91.3	Very high	6 Å²	6	54.7 Å²	54.7	4%	0.036	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	115.5	-174.8	-177.8	0	0	0	0	110.1	V856 M860 G1020 K1021 L1142 I1143 S1144 E1145	V856-V858 HydrophobicContact CG1-CG2 3.92Å; V858-M860 PolarHBondContact O-N 2.89Å; V858-G1020 WeakPolarHBondContact CG1-O 3.49Å; V858-K1021 HydrophobicContact CG1-CG 4.22Å; V858-L1142 HydrophobicContact CG2-CB 4.45Å; V858-L1142 HydrophobicContact CG2-CD2 4.25Å; V858-I1143 PolarHBondContact N-O 2.98Å; V858-S1144 WeakPolarHBondContact O-CA 3.38Å; V858-E1145 PolarHBondContact O-N 2.79Å
859	T	95.2	Very high	92.1	Very high	95 Å²	95	58.4 Å²	58.4	58%	0.583	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-62.9	127.4	171.4	54.2	0	0	0	0	110.9	E1145	T859-E1145 VanDerWaalsContact CG2-OE2 3.25Å; T859-E1145 WeakPolarHBondContact CG2-OE2 3.5Å
860	M	93	Very high	92.4	Very high	24 Å²	24	60.7 Å²	60.7	12%	0.118	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-63.1	146.1	168.4	-70	-171.3	-71.2	0	0	111.2	V858 Q864 A865 Y868 T1147	V858-M860 PolarHBondContact O-N 2.89Å; M860-Q864 HydrophobicContact CB-CB 4.26Å; M860-Q864 HydrophobicContact CB-CG 4.21Å; M860-Q864 HydrophobicContact CG-CG 4.24Å; M860-Q864 HydrophobicContact SD-CG 4.09Å; M860-A865 HydrophobicContact CB-CB 4.19Å; M860-A865 HydrophobicContact CE-CB 4.25Å; M860-Y868 HydrophobicContact CE-CD1 4.22Å; M860-Y868 HydrophobicContact CE-CG 4.09Å; M860-Y868 HydrophobicContact SD-CD2 4.19Å; M860-Y868 HydrophobicContact SD-CG 4.13Å; M860-T1147 HydrophobicContact CE-CG2 3.56Å; M860-T1147 HydrophobicContact CG-CG2 4.35Å; M860-T1147 HydrophobicContact SD-CG2 3.58Å; M860-T1147 VanDerWaalsContact SD-CG2 3.58Å
861	T	93	Very high	92.4	Very high	23 Å²	23	57 Å²	57	14%	0.141	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-69	155.1	172.5	61.6	0	0	0	0	110.7	S863 Q864 A865 Q949 S1017	T861-S863 VanDerWaalsContact C-N 3.32Å; T861-S863 PolarHBondContact O-N 3.41Å; T861-Q864 WeakPolarHBondContact O-CA 3.46Å; T861-Q864 WeakPolarHBondContact O-CB 3.2Å; T861-Q864 PolarHBondContact O-N 3.19Å; T861-A865 PolarHBondContact O-N 3.15Å; T861-Q949 PolarHBondContact OG1-NE2 2.69Å; T861-Q949 VanDerWaalsContact OG1-NE2 3.09Å; T861-S1017 WeakPolarHBondContact CG2-O 3.35Å; T861-S1017 PolarHBondContact OG1-O 3.15Å; T861-S1017 VanDerWaalsContact OG1-O 3.05Å
862	K	92.1	Very high	92.3	Very high	190 Å²	190	54.4 Å²	54.4	83%	0.826	30%	0.297	S	S	*	.	H	α-helix	trans	-53.3	-44.9	-170.4	-68.3	-179.1	179.3	177.2	0	113.4	A865 T866	K862-A865 PolarHBondContact O-N 3.17Å; K862-T866 PolarHBondContact O-N 3.13Å; K862-T866 PolarHBondContact O-OG1 2.98Å
863	S	89.2	Confident	92.1	Very high	45 Å²	45	57.5 Å²	57.5	32%	0.315	30%	0.304	S	S	.	.	H	α-helix	trans	-67.3	-44	176.5	178.1	0	0	0	0	112.1	T861 A865 T866 H867 Q949	T861-S863 VanDerWaalsContact C-N 3.32Å; T861-S863 PolarHBondContact O-N 3.41Å; S863-A865 VanDerWaalsContact C-N 3.3Å; S863-A865 PolarHBondContact O-N 2.82Å; S863-T866 PolarHBondContact O-N 3.05Å; S863-H867 PolarHBondContact O-CD2 3.49Å; S863-H867 PolarHBondContact O-N 3.43Å; S863-H867 PolarHBondContact OG-CD2 3.31Å; S863-H867 PolarHBondContact OG-NE2 3.25Å; S863-Q949 PolarHBondContact OG-OE1 3.38Å
864	Q	92.6	Very high	91.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-54.6	-45.9	174.2	-170.9	-177.3	12.7	0	0	111.7	M860 T861 H867 Y868 A945 A946 Q949 G1020	M860-Q864 HydrophobicContact CB-CB 4.26Å; M860-Q864 HydrophobicContact CB-CG 4.21Å; M860-Q864 HydrophobicContact CG-CG 4.24Å; M860-Q864 HydrophobicContact SD-CG 4.09Å; T861-Q864 WeakPolarHBondContact O-CA 3.46Å; T861-Q864 WeakPolarHBondContact O-CB 3.2Å; T861-Q864 PolarHBondContact O-N 3.19Å; Q864-H867 PolarHBondContact O-N 3Å; Q864-Y868 WeakPolarHBondContact O-CB 3.48Å; Q864-Y868 PolarHBondContact O-N 3.49Å; Q864-A945 WeakPolarHBondContact CG-O 3.45Å; Q864-A945 PolarHBondContact NE2-O 3.24Å; Q864-A946 VanDerWaalsContact NE2-C 3.34Å; Q864-A946 PolarHBondContact NE2-O 3.2Å; Q864-Q949 HydrophobicContact CB-CG 3.8Å; Q864-Q949 HydrophobicContact CG-CG 4.17Å; Q864-G1020 VanDerWaalsContact OE1-N 3.12Å
865	A	92.2	Very high	91.4	Very high	22 Å²	22	54.9 Å²	54.9	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-47.1	177.9	0	0	0	0	0	112.1	M860 T861 K862 S863 H867 Y868 Y869	M860-A865 HydrophobicContact CB-CB 4.19Å; M860-A865 HydrophobicContact CE-CB 4.25Å; T861-A865 PolarHBondContact O-N 3.15Å; K862-A865 PolarHBondContact O-N 3.17Å; S863-A865 VanDerWaalsContact C-N 3.3Å; S863-A865 PolarHBondContact O-N 2.82Å; A865-H867 PolarHBondContact O-N 2.94Å; A865-Y868 PolarHBondContact O-N 3.46Å; A865-Y869 HydrophobicContact CB-CD2 4.5Å; A865-Y869 HydrophobicContact CB-CE2 4.31Å; A865-Y869 WeakPolarHBondContact O-CD2 3.49Å; A865-Y869 PolarHBondContact O-N 3.29Å
866	T	91.7	Very high	90.9	Very high	76 Å²	76	56.4 Å²	56.4	47%	0.466	28%	0.279	S	S	.	.	H	α-helix	trans	-53.7	-51.5	175.6	-63.3	0	0	0	0	111.4	K862 S863 Y868 Y869 D870	K862-T866 PolarHBondContact O-N 3.13Å; K862-T866 PolarHBondContact O-OG1 2.98Å; S863-T866 PolarHBondContact O-N 3.05Å; T866-Y868 PolarHBondContact O-N 3.31Å; T866-Y869 PolarHBondContact O-N 3.22Å; T866-D870 PolarHBondContact O-N 3.07Å
867	H	88.7	Confident	90.2	Very high	52 Å²	52	59.2 Å²	59.2	24%	0.241	30%	0.299	C	S	.	.	H	α-helix	trans	-73.8	-26.1	-177	-58.6	-48.4	0	0	0	113.5	S863 Q864 A865 D870 L871 F952 L955	S863-H867 PolarHBondContact O-CD2 3.49Å; S863-H867 PolarHBondContact O-N 3.43Å; S863-H867 PolarHBondContact OG-CD2 3.31Å; S863-H867 PolarHBondContact OG-NE2 3.25Å; Q864-H867 PolarHBondContact O-N 3Å; A865-H867 PolarHBondContact O-N 2.94Å; H867-D870 IonicContact ND1-OD2 3.66Å; H867-L871 WeakPolarHBondContact O-CB 3.39Å; H867-L871 PolarHBondContact O-N 2.95Å; H867-L871 VanDerWaalsContact O-N 3.08Å; H867-F952 HydrophobicContact CB-CD2 4.25Å; H867-F952 HydrophobicContact CB-CE1 4.45Å; H867-F952 HydrophobicContact CB-CE2 3.57Å; H867-F952 HydrophobicContact CB-CZ 3.67Å; H867-F952 WeakPolarHBondContact O-CZ 3.33Å; H867-L955 VanDerWaalsContact CD2-CD1 3.47Å; H867-L955 WeakPolarHBondContact CD2-CD1 3.39Å; H867-L955 VanDerWaalsContact NE2-CD1 3.25Å; H867-L955 WeakPolarHBondContact NE2-CD1 3.26Å
868	Y	91.6	Very high	89.2	Confident	3 Å²	3	58.6 Å²	58.6	1%	0.012	29%	0.288	C	S	.	.	H	α-helix	trans	-63.4	-49.4	167.6	-173.7	-83.1	0	0	0	111.1	M860 Q864 A865 T866 L871 V872 L942 A945 A946 T1147 L1148	M860-Y868 HydrophobicContact CE-CD1 4.22Å; M860-Y868 HydrophobicContact CE-CG 4.09Å; M860-Y868 HydrophobicContact SD-CD2 4.19Å; M860-Y868 HydrophobicContact SD-CG 4.13Å; Q864-Y868 WeakPolarHBondContact O-CB 3.48Å; Q864-Y868 PolarHBondContact O-N 3.49Å; A865-Y868 PolarHBondContact O-N 3.46Å; T866-Y868 PolarHBondContact O-N 3.31Å; Y868-L871 WeakPolarHBondContact O-CB 3.18Å; Y868-L871 PolarHBondContact O-N 3.46Å; Y868-V872 HydrophobicContact CD1-CG2 4.03Å; Y868-V872 HydrophobicContact CE1-CG2 3.71Å; Y868-V872 WeakPolarHBondContact O-CG2 3.42Å; Y868-V872 PolarHBondContact O-N 2.82Å; Y868-L942 HydrophobicContact CE1-CD2 4.42Å; Y868-L942 HydrophobicContact CE2-CB 4.17Å; Y868-L942 HydrophobicContact CE2-CD2 4.12Å; Y868-L942 WeakPolarHBondContact CE2-O 3.48Å; Y868-A945 HydrophobicContact CD2-CB 3.68Å; Y868-A945 HydrophobicContact CE2-CB 4.42Å; Y868-A946 HydrophobicContact CD2-CB 4.47Å; Y868-A946 HydrophobicContact CE2-CB 4.1Å; Y868-T1147 HydrophobicContact CD2-CG2 4.28Å; Y868-T1147 HydrophobicContact CE1-CG2 4.4Å; Y868-T1147 HydrophobicContact CE2-CG2 3.88Å; Y868-T1147 WeakPolarHBondContact OH-CA 3.34Å; Y868-L1148 PolarHBondContact OH-N 3.42Å; Y868-L1148 VanDerWaalsContact OH-N 3.13Å
869	Y	91.4	Very high	88	Confident	108 Å²	108	62.4 Å²	62.4	42%	0.424	30%	0.302	S	S	.	.	H	α-helix	trans	-71.1	-31.8	-179.9	-67.7	-58.2	0	0	0	113.4	A865 T866 L871 V872 K873	A865-Y869 HydrophobicContact CB-CD2 4.5Å; A865-Y869 HydrophobicContact CB-CE2 4.31Å; A865-Y869 WeakPolarHBondContact O-CD2 3.49Å; A865-Y869 PolarHBondContact O-N 3.29Å; T866-Y869 PolarHBondContact O-N 3.22Å; Y869-L871 VanDerWaalsContact C-N 3.35Å; Y869-V872 PolarHBondContact O-N 3.1Å; Y869-K873 WeakPolarHBondContact O-CB 3.46Å; Y869-K873 PolarHBondContact O-N 3.4Å
870	D	89.3	Confident	86.6	Confident	68 Å²	68	61.5 Å²	61.5	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-64	-39.1	169.6	-80.5	-32.5	0	0	0	112.1	T866 H867 K873 R874	T866-D870 PolarHBondContact O-N 3.07Å; H867-D870 IonicContact ND1-OD2 3.66Å; D870-K873 PolarHBondContact O-N 3.04Å; D870-R874 WeakPolarHBondContact O-CB 3.32Å; D870-R874 PolarHBondContact O-N 3.11Å
871	L	88.1	Confident	85.1	Confident	10 Å²	10	64.4 Å²	64.4	5%	0.052	32%	0.318	C	S	.	.	H	α-helix	trans	-65	-46.9	173.1	177.9	60.3	0	0	0	110.9	H867 Y868 Y869 K873 R874 L875 A941 L942 A945 F952	H867-L871 WeakPolarHBondContact O-CB 3.39Å; H867-L871 PolarHBondContact O-N 2.95Å; H867-L871 VanDerWaalsContact O-N 3.08Å; Y868-L871 WeakPolarHBondContact O-CB 3.18Å; Y868-L871 PolarHBondContact O-N 3.46Å; Y869-L871 VanDerWaalsContact C-N 3.35Å; L871-K873 VanDerWaalsContact C-N 3.34Å; L871-K873 PolarHBondContact O-N 3.49Å; L871-R874 PolarHBondContact O-N 3.22Å; L871-L875 HydrophobicContact CD1-CD1 4.01Å; L871-L875 HydrophobicContact CD1-CG 4.08Å; L871-L875 HydrophobicContact CG-CD1 3.98Å; L871-L875 HydrophobicContact CG-CG 4.46Å; L871-L875 WeakPolarHBondContact O-CB 3.2Å; L871-L875 VanDerWaalsContact O-CG 3.22Å; L871-L875 WeakPolarHBondContact O-CG 3.37Å; L871-L875 PolarHBondContact O-N 3.07Å; L871-A941 HydrophobicContact CD2-CB 4.02Å; L871-L942 HydrophobicContact CD2-CD2 3.9Å; L871-L942 HydrophobicContact CD2-CG 4.37Å; L871-L942 HydrophobicContact CG-CD2 3.96Å; L871-A945 HydrophobicContact CD2-CB 4.26Å; L871-F952 HydrophobicContact CB-CE1 4.4Å; L871-F952 HydrophobicContact CD2-CE1 4.08Å
872	V	88.7	Confident	83.3	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.012	33%	0.333	C	S	.	.	H	α-helix	trans	-52.8	-50.6	172.6	163.2	0	0	0	0	110.9	Y868 Y869 R874 L875 R876 L942 L1254	Y868-V872 HydrophobicContact CD1-CG2 4.03Å; Y868-V872 HydrophobicContact CE1-CG2 3.71Å; Y868-V872 WeakPolarHBondContact O-CG2 3.42Å; Y868-V872 PolarHBondContact O-N 2.82Å; Y869-V872 PolarHBondContact O-N 3.1Å; V872-R874 PolarHBondContact O-N 2.73Å; V872-L875 PolarHBondContact O-N 3.02Å; V872-R876 WeakPolarHBondContact O-CG 3.48Å; V872-R876 PolarHBondContact O-N 3.24Å; V872-L942 HydrophobicContact CG2-CD2 3.62Å; V872-L1254 HydrophobicContact CB-CD2 4.28Å; V872-L1254 HydrophobicContact CG1-CD2 3.84Å; V872-L1254 HydrophobicContact CG2-CD2 4.41Å
873	K	88.3	Confident	81.4	Confident	137 Å²	137	64.4 Å²	64.4	60%	0.596	32%	0.321	S	S	*	.	H	α-helix	trans	-59	-46.6	179.1	-172.6	179.5	-178.4	-179	0	112.1	Y869 D870 L871 L875 R876 S877	Y869-K873 WeakPolarHBondContact O-CB 3.46Å; Y869-K873 PolarHBondContact O-N 3.4Å; D870-K873 PolarHBondContact O-N 3.04Å; L871-K873 VanDerWaalsContact C-N 3.34Å; L871-K873 PolarHBondContact O-N 3.49Å; K873-L875 VanDerWaalsContact C-N 3.32Å; K873-L875 PolarHBondContact O-N 3.01Å; K873-R876 WeakPolarHBondContact O-CB 3.25Å; K873-R876 PolarHBondContact O-N 3.26Å; K873-S877 PolarHBondContact O-N 3.48Å; K873-S877 VanDerWaalsContact O-N 3.1Å; K873-S877 PolarHBondContact O-OG 3.08Å
874	R	86	Confident	79.6	Confident	131 Å²	131	66.4 Å²	66.4	49%	0.494	33%	0.332	S	S	.	.	H	α-helix	trans	-59.6	-41	176.2	-170.1	-178	-60.1	147.9	4.4	111.9	D870 L871 V872 Q878	D870-R874 WeakPolarHBondContact O-CB 3.32Å; D870-R874 PolarHBondContact O-N 3.11Å; L871-R874 PolarHBondContact O-N 3.22Å; V872-R874 PolarHBondContact O-N 2.73Å; R874-Q878 WeakPolarHBondContact O-CG 2.9Å; R874-Q878 PolarHBondContact O-N 3.4Å; R874-Q878 VanDerWaalsContact O-N 3.09Å
875	L	85.5	Confident	77.4	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-71.9	-34.7	177.7	-66.7	173.8	0	0	0	112.8	L871 V872 K873 R879 L932 M938 L942 L1254	L871-L875 HydrophobicContact CD1-CD1 4.01Å; L871-L875 HydrophobicContact CD1-CG 4.08Å; L871-L875 HydrophobicContact CG-CD1 3.98Å; L871-L875 HydrophobicContact CG-CG 4.46Å; L871-L875 WeakPolarHBondContact O-CB 3.2Å; L871-L875 VanDerWaalsContact O-CG 3.22Å; L871-L875 WeakPolarHBondContact O-CG 3.37Å; L871-L875 PolarHBondContact O-N 3.07Å; V872-L875 PolarHBondContact O-N 3.02Å; K873-L875 VanDerWaalsContact C-N 3.32Å; K873-L875 PolarHBondContact O-N 3.01Å; L875-R879 PolarHBondContact O-N 3.35Å; L875-L932 HydrophobicContact CD2-CB 4.46Å; L875-L932 HydrophobicContact CD2-CD1 4.19Å; L875-L932 HydrophobicContact CD2-CD2 4.41Å; L875-M938 HydrophobicContact CD1-CB 4.08Å; L875-M938 HydrophobicContact CD2-CB 4.18Å; L875-M938 HydrophobicContact CD2-CG 3.74Å; L875-M938 HydrophobicContact CD2-SD 3.94Å; L875-L942 HydrophobicContact CD1-CD1 4.1Å; L875-L942 HydrophobicContact CD1-CD2 4.14Å; L875-L942 HydrophobicContact CD1-CG 3.99Å; L875-L1254 HydrophobicContact CB-CD2 4.11Å
876	R	84.8	Confident	74.9	Confident	107 Å²	107	74.6 Å²	74.6	40%	0.404	38%	0.379	S	S	.	.	H	α-helix	trans	-58.2	-52.5	169.7	-70.3	178.9	-175.3	164.7	6.6	110.5	V872 K873 Q878 R879 S880 L1254 L1256	V872-R876 WeakPolarHBondContact O-CG 3.48Å; V872-R876 PolarHBondContact O-N 3.24Å; K873-R876 WeakPolarHBondContact O-CB 3.25Å; K873-R876 PolarHBondContact O-N 3.26Å; R876-Q878 PolarHBondContact O-N 3.42Å; R876-R879 PolarHBondContact O-N 2.99Å; R876-R879 VanDerWaalsContact O-N 3.15Å; R876-S880 PolarHBondContact O-N 3.47Å; R876-L1254 HydrophobicContact CG-CB 4.15Å; R876-L1254 HydrophobicContact CG-CD2 4.12Å; R876-L1254 PolarHBondContact NE-O 2.94Å; R876-L1254 PolarHBondContact NH2-O 2.86Å; R876-L1256 PolarHBondContact NH2-O 3.5Å; R876-L1256 PolarHBondContact NH2-OXT 3.37Å
877	S	82.4	Confident	72.3	Confident	73 Å²	73	78.1 Å²	78.1	51%	0.51	40%	0.395	S	S	.	.	H	α-helix	trans	-60	-41.2	179.5	-59.2	0	0	0	0	113.1	K873 R879 S880 V881	K873-S877 PolarHBondContact O-N 3.48Å; K873-S877 VanDerWaalsContact O-N 3.1Å; K873-S877 PolarHBondContact O-OG 3.08Å; S877-R879 PolarHBondContact O-N 3.18Å; S877-S880 PolarHBondContact O-N 3.5Å; S877-V881 PolarHBondContact O-N 3.19Å
878	Q	74.3	Confident	69.6	Low	58 Å²	58	79.9 Å²	79.9	27%	0.271	41%	0.414	S	S	.	.	H	α-helix	trans	-66.3	-18	178.2	-76.8	-179.1	-4.1	0	0	114.6	R874 R876	R874-Q878 WeakPolarHBondContact O-CG 2.9Å; R874-Q878 PolarHBondContact O-N 3.4Å; R874-Q878 VanDerWaalsContact O-N 3.09Å; R876-Q878 PolarHBondContact O-N 3.42Å
879	R	71.1	Confident	66.6	Low	86 Å²	86	88.2 Å²	88.2	33%	0.325	45%	0.452	S	S	.	.	H	α-helix	trans	-82	-49.9	171.3	-67.8	-179.6	69.4	172	-2.5	110.8	L875 R876 S877 V881 K882 D883	L875-R879 PolarHBondContact O-N 3.35Å; R876-R879 PolarHBondContact O-N 2.99Å; R876-R879 VanDerWaalsContact O-N 3.15Å; S877-R879 PolarHBondContact O-N 3.18Å; R879-V881 VanDerWaalsContact C-N 3.26Å; R879-V881 PolarHBondContact O-N 2.73Å; R879-V881 VanDerWaalsContact O-N 3.12Å; R879-K882 WeakPolarHBondContact O-CB 3.41Å; R879-K882 PolarHBondContact O-N 3.26Å; R879-D883 PolarHBondContact O-N 2.87Å
880	S	64.8	Low	63.6	Low	76 Å²	76	90.3 Å²	90.3	53%	0.531	47%	0.471	S	S	.	.	H	α-helix	trans	-52.6	-39	-178	-165.4	0	0	0	0	114	R876 S877 K882 D883 T884	R876-S880 PolarHBondContact O-N 3.47Å; S877-S880 PolarHBondContact O-N 3.5Å; S880-K882 VanDerWaalsContact C-N 3.31Å; S880-K882 PolarHBondContact O-N 2.94Å; S880-D883 PolarHBondContact O-N 2.82Å; S880-T884 PolarHBondContact O-N 3.36Å; S880-T884 PolarHBondContact O-OG1 3.41Å
881	V	60.9	Low	60.8	Low	85 Å²	85	91.9 Å²	91.9	52%	0.515	49%	0.487	S	S	.	.	H	α-helix	trans	-69.7	-25.3	179.5	178	0	0	0	0	112.9	S877 R879 T884 N885	S877-V881 PolarHBondContact O-N 3.19Å; R879-V881 VanDerWaalsContact C-N 3.26Å; R879-V881 PolarHBondContact O-N 2.73Å; R879-V881 VanDerWaalsContact O-N 3.12Å; V881-T884 PolarHBondContact O-OG1 2.78Å; V881-T884 VanDerWaalsContact O-OG1 3.08Å; V881-N885 WeakPolarHBondContact O-CB 3.32Å; V881-N885 PolarHBondContact O-N 2.52Å; V881-N885 PolarHBondContact O-OD1 3.32Å
882	K	55.8	Low	58	Low	103 Å²	103	96.5 Å²	96.5	45%	0.448	52%	0.521	S	S	.	.	H	α-helix	trans	-77	-33.5	175.2	-66.4	-174.5	178.2	-172.6	0	111.9	R879 S880 S886 Q933	R879-K882 WeakPolarHBondContact O-CB 3.41Å; R879-K882 PolarHBondContact O-N 3.26Å; S880-K882 VanDerWaalsContact C-N 3.31Å; S880-K882 PolarHBondContact O-N 2.94Å; K882-S886 PolarHBondContact O-N 3.46Å; K882-S886 PolarHBondContact O-OG 3.17Å; K882-Q933 PolarHBondContact NZ-O 3.11Å
883	D	52	Low	55.2	Low	110 Å²	110	104.2 Å²	104.2	59%	0.588	56%	0.561	S	S	*	*	H	α-helix	trans	-77.3	-26.6	-177.9	-57.1	-33.6	0	0	0	111.5	R879 S880 S886	R879-D883 PolarHBondContact O-N 2.87Å; S880-D883 PolarHBondContact O-N 2.82Å; D883-S886 PolarHBondContact O-OG 2.95Å
884	T	50.8	Low	52.5	Low	87 Å²	87	106.2 Å²	106.2	53%	0.534	58%	0.577	S	S	.	*	H	α-helix	trans	-74.3	-43.8	167.1	50.4	0	0	0	0	112.7	S880 V881 S886	S880-T884 PolarHBondContact O-N 3.36Å; S880-T884 PolarHBondContact O-OG1 3.41Å; V881-T884 PolarHBondContact O-OG1 2.78Å; V881-T884 VanDerWaalsContact O-OG1 3.08Å; T884-S886 PolarHBondContact O-N 3.32Å; T884-S886 VanDerWaalsContact O-N 3.15Å
885	N	47	Very low	49.7	Very low	110 Å²	110	107.3 Å²	107.3	59%	0.588	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	6.4	-170.6	-66.7	20.8	0	0	0	114.1	V881	V881-N885 WeakPolarHBondContact O-CB 3.32Å; V881-N885 PolarHBondContact O-N 2.52Å; V881-N885 PolarHBondContact O-OD1 3.32Å
886	S	39	Very low	46.9	Very low	84 Å²	84	113.8 Å²	113.8	59%	0.587	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-7	179.1	23.9	0	0	0	0	114.5	K882 D883 T884	K882-S886 PolarHBondContact O-N 3.46Å; K882-S886 PolarHBondContact O-OG 3.17Å; D883-S886 PolarHBondContact O-OG 2.95Å; T884-S886 PolarHBondContact O-N 3.32Å; T884-S886 VanDerWaalsContact O-N 3.15Å
887	N	37	Very low	44.4	Very low	150 Å²	150	113.8 Å²	113.8	80%	0.802	64%	0.643	S	S	*	*	S	Bend	trans	-107.3	-0.7	-176.2	-73.8	-22.6	0	0	0	115.3
888	S	32.7	Very low	41.8	Very low	90 Å²	90	119.1 Å²	119.1	63%	0.629	66%	0.66	S	S	*	*			trans	-118.3	97	-178.4	56.6	0	0	0	0	111.4	D890	S888-D890 PolarHBondContact O-N 2.9Å
889	Q	28.7	Very low	39.6	Very low	177 Å²	177	121.7 Å²	121.7	83%	0.827	68%	0.683	S	S	*	*			trans	-83.9	88.3	169.2	-67.5	-177.2	9.5	0	0	110
890	D	29.2	Very low	37.6	Very low	153 Å²	153	125 Å²	125	82%	0.818	71%	0.707	S	S	*	*			trans	-168.1	166.1	145.3	-116.8	-28.6	0	0	0	114.6	S888	S888-D890 PolarHBondContact O-N 2.9Å
891	S	29.4	Very low	36.2	Very low	100 Å²	100	128.8 Å²	128.8	70%	0.699	72%	0.721	S	S	*	*			trans	47.4	103.6	160.4	-69.5	0	0	0	0	119.7
892	S	29.2	Very low	34.8	Very low	108 Å²	108	128.5 Å²	128.5	76%	0.755	74%	0.736	S	S	*	*			trans	-45.4	154.7	135.2	51.7	0	0	0	0	112.7
893	L	30.1	Very low	33.8	Very low	163 Å²	163	131.5 Å²	131.5	85%	0.853	76%	0.757	S	S	*	*			trans	99.2	90	-178.5	-59.5	168.3	0	0	0	114.4
894	L	31.3	Very low	32.8	Very low	180 Å²	180	133.8 Å²	133.8	94%	0.942	76%	0.764	S	S	*	*			trans	-148.2	85.5	134.6	-84.3	-166.6	0	0	0	108.9
895	L	26.9	Very low	32	Very low	153 Å²	153	136.8 Å²	136.8	80%	0.801	78%	0.777	S	S	*	*			trans	-94.4	142.6	151	-102.4	165	0	0	0	106.5
896	N	27.5	Very low	31.4	Very low	137 Å²	137	136.5 Å²	136.5	73%	0.733	79%	0.79	S	S	*	*			trans	59.9	111.9	170	-50.8	-2.5	0	0	0	115.5
897	S	31.7	Very low	31.3	Very low	107 Å²	107	140.2 Å²	140.2	75%	0.748	80%	0.803	S	S	*	*			trans	-126.3	100.7	144	-158.2	0	0	0	0	106.9	C899	S897-C899 PolarHBondContact OG-SG 3.49Å; S897-C899 VanDerWaalsContact OG-SG 3.37Å
898	E	28.3	Very low	31.2	Very low	184 Å²	184	139 Å²	139	86%	0.86	80%	0.803	S	S	*	*			trans	-70	144.8	149.8	-68.9	162.5	141.2	0	0	106.3
899	C	29.3	Very low	31.2	Very low	113 Å²	113	142.2 Å²	142.2	76%	0.764	81%	0.813	S	S	*	*			trans	-134.7	92.2	178.3	-62.7	0	0	0	0	107.3	S897	S897-C899 PolarHBondContact OG-SG 3.49Å; S897-C899 VanDerWaalsContact OG-SG 3.37Å
900	D	28.8	Very low	31.7	Very low	154 Å²	154	138.5 Å²	138.5	82%	0.824	81%	0.813	S	S	*	*			trans	-76.7	175.7	158.3	-159.3	-0.6	0	0	0	109.2
901	D	34.2	Very low	31.8	Very low	156 Å²	156	138.9 Å²	138.9	83%	0.834	82%	0.815	S	S	*	*			trans	108	116.8	175	-65.9	-34.4	0	0	0	117.2
902	G	31.3	Very low	32.1	Very low	80 Å²	80	139.7 Å²	139.7	83%	0.825	81%	0.812	S	S	*	*			trans	89.3	128.9	161.3	0	0	0	0	0	115.8
903	D	36.1	Very low	32.3	Very low	165 Å²	165	144.5 Å²	144.5	88%	0.882	81%	0.813	S	S	*	*			cis	-152.9	163.7	10.3	-165.1	5.2	0	0	0	110.3
904	E	30.9	Very low	32.3	Very low	158 Å²	158	145.6 Å²	145.6	74%	0.738	81%	0.811	S	S	*	*			trans	-97.8	156.1	-177.9	-65.7	-170.9	140.4	0	0	113.3
905	N	33.5	Very low	32.3	Very low	151 Å²	151	144 Å²	144	81%	0.807	81%	0.808	S	S	*	*			trans	79.3	96.7	165.2	-44.7	-82.3	0	0	0	118.9
906	A	33.8	Very low	32.4	Very low	103 Å²	103	143.6 Å²	143.6	85%	0.851	81%	0.807	S	S	*	*			trans	-165.2	135.5	137.6	0	0	0	0	0	112.8
907	D	38.4	Very low	32.4	Very low	162 Å²	162	139.9 Å²	139.9	87%	0.866	80%	0.801	S	S	*	*			trans	-10.5	131	177.4	-67	-40.4	0	0	0	121.9
908	P	34.1	Very low	32.2	Very low	124 Å²	124	142 Å²	142	81%	0.805	81%	0.81	S	S	*	*			trans	-109	91.9	168.2	37.7	-27.4	0	0	0	113.7
909	D	32	Very low	32.2	Very low	158 Å²	158	140.9 Å²	140.9	85%	0.845	80%	0.802	S	S	*	*			trans	-165.2	112.8	154.8	-125.9	-20.8	0	0	0	114.6
910	A	39.2	Very low	32	Very low	100 Å²	100	141.2 Å²	141.2	83%	0.826	81%	0.806	S	S	*	*			trans	176.6	109.4	153.2	0	0	0	0	0	111.5
911	N	32.8	Very low	31.9	Very low	160 Å²	160	141.4 Å²	141.4	86%	0.856	80%	0.8	S	S	*	*			trans	-92.8	126.4	170.3	-77.4	-86.8	0	0	0	111.3
912	D	34.1	Very low	31.5	Very low	118 Å²	118	139.5 Å²	139.5	63%	0.631	80%	0.795	S	S	*	*				-162	154.3	126.7	-142.7	-24.3	0	0	0	114.6
913	R	34	Very low	31.3	Very low	208 Å²	208	140.6 Å²	140.6	79%	0.785	79%	0.786	S	S	*	*			trans	50.8	76.5	155.2	-89.9	155.9	-106	-147.4	3.3	120.3	V915	R913-V915 PolarHBondContact O-N 3.48Å
914	K	29.5	Very low	31.1	Very low	186 Å²	186	137.1 Å²	137.1	81%	0.809	77%	0.771	S	S	*	*			trans	-21.7	123.2	146.2	-63.3	169.1	177.5	172.4	0	115.8
915	V	31.2	Very low	31.2	Very low	146 Å²	146	133.7 Å²	133.7	89%	0.885	77%	0.765	S	S	*	*			trans	-134.6	92.6	146.5	-179.9	0	0	0	0	107.4	R913	R913-V915 PolarHBondContact O-N 3.48Å
916	N	28.9	Very low	31.3	Very low	146 Å²	146	137.3 Å²	137.3	78%	0.781	77%	0.767	S	S	*	*			trans	-97.5	113	-166.1	-79.4	11.7	0	0	0	114
917	G	28.8	Very low	31.4	Very low	59 Å²	59	136.3 Å²	136.3	61%	0.608	75%	0.753	S	S	*	*				88.3	72.6	118.7	0	0	0	0	0	119	K919	G917-K919 PolarHBondContact O-N 3.33Å
918	T	26.6	Very low	31.6	Very low	151 Å²	151	132.3 Å²	132.3	93%	0.926	73%	0.732	S	S	*	*			trans	-65.6	79.5	152.2	14	0	0	0	0	110.4	S920	T918-S920 PolarHBondContact O-N 2.96Å; T918-S920 VanDerWaalsContact O-N 3.13Å
919	K	29.4	Very low	32	Very low	161 Å²	161	128.6 Å²	128.6	70%	0.7	71%	0.708	S	S	*	*			trans	-72.8	100.5	176.9	-70	-170.8	177.4	-174.7	0	111	G917 F921	G917-K919 PolarHBondContact O-N 3.33Å; K919-F921 HydrophobicContact CB-CD2 3.85Å; K919-F921 HydrophobicContact CB-CE2 3.63Å; K919-F921 HydrophobicContact CD-CE2 3.66Å; K919-F921 HydrophobicContact CD-CZ 3.99Å; K919-F921 HydrophobicContact CG-CE2 4.29Å; K919-F921 PolarHBondContact O-N 3.01Å
920	S	25.5	Very low	32.6	Very low	119 Å²	119	127.9 Å²	127.9	83%	0.832	70%	0.7	S	S	*	*			trans	-71.2	90.4	171.6	54.7	0	0	0	0	111.5	T918	T918-S920 PolarHBondContact O-N 2.96Å; T918-S920 VanDerWaalsContact O-N 3.13Å
921	F	25.8	Very low	33.2	Very low	159 Å²	159	126.3 Å²	126.3	70%	0.697	68%	0.683	S	S	*	*			trans	-84.5	131.2	178.7	-84.2	-74.1	0	0	0	113	K919	K919-F921 HydrophobicContact CB-CD2 3.85Å; K919-F921 HydrophobicContact CB-CE2 3.63Å; K919-F921 HydrophobicContact CD-CE2 3.66Å; K919-F921 HydrophobicContact CD-CZ 3.99Å; K919-F921 HydrophobicContact CG-CE2 4.29Å; K919-F921 PolarHBondContact O-N 3.01Å
922	P	26.1	Very low	34.5	Very low	115 Å²	115	119.5 Å²	119.5	75%	0.747	65%	0.646	S	S	*	*			trans	-102.6	75	-168.3	38.5	-36.4	0	0	0	115
923	V	27.4	Very low	35.9	Very low	104 Å²	104	119 Å²	119	63%	0.63	64%	0.64	S	S	*	*			trans	-135.5	47.2	-168.4	-152.8	0	0	0	0	117.1	R988	V923-R988 PolarHBondContact O-NH2 2.74Å
924	T	31.6	Very low	37.8	Very low	91 Å²	91	111.6 Å²	111.6	56%	0.558	62%	0.62	S	S	*	*			trans	-128.8	4.3	176.9	53.6	0	0	0	0	115.8
925	S	32.5	Very low	40.2	Very low	87 Å²	87	103.9 Å²	103.9	61%	0.608	59%	0.589	S	S	*	*			trans	-91	-14.1	-157	54.8	0	0	0	0	118.1	S929	S925-S929 WeakPolarHBondContact O-CB 3.24Å; S925-S929 PolarHBondContact O-OG 3.44Å
926	R	35.3	Very low	42.4	Very low	226 Å²	226	99.7 Å²	99.7	85%	0.853	57%	0.566	S	S	*	*	S	Bend	trans	-95.6	-32.8	-164.8	-74.9	-175.9	175.2	161.3	-0.2	117.4	S929	R926-S929 PolarHBondContact O-OG 2.79Å
927	S	36.3	Very low	45	Very low	82 Å²	82	96.4 Å²	96.4	57%	0.573	55%	0.548	S	S	*	.	S	Bend	trans	-84.2	-41.1	-177.3	51.9	0	0	0	0	113.1	S929	S927-S929 VanDerWaalsContact C-N 3.33Å; S927-S929 PolarHBondContact O-N 2.97Å
928	I	43.1	Very low	47.7	Very low	79 Å²	79	94.2 Å²	94.2	41%	0.405	52%	0.522	S	S	.	.	H	α-helix	trans	-72.6	-26.9	-176.1	-61.9	173.9	0	0	0	112	E930 S931 L932	I928-E930 VanDerWaalsContact C-N 3.3Å; I928-E930 PolarHBondContact O-N 2.95Å; I928-S931 PolarHBondContact O-N 2.77Å; I928-S931 PolarHBondContact O-OG 2.92Å; I928-L932 HydrophobicContact CG2-CD1 3.98Å
929	S	41.9	Very low	50.6	Low	46 Å²	46	87 Å²	87	32%	0.322	48%	0.478	S	S	.	.	H	α-helix	trans	-65.1	-22.5	-174.8	43.2	0	0	0	0	115.4	S925 R926 S927	S925-S929 WeakPolarHBondContact O-CB 3.24Å; S925-S929 PolarHBondContact O-OG 3.44Å; R926-S929 PolarHBondContact O-OG 2.79Å; S927-S929 VanDerWaalsContact C-N 3.33Å; S927-S929 PolarHBondContact O-N 2.97Å
930	E	45.8	Very low	53.4	Low	143 Å²	143	81.7 Å²	81.7	67%	0.668	46%	0.459	S	S	*	.	H	α-helix	trans	-81.2	-33.9	176.7	-61.9	-153.4	142	0	0	113.1	I928 L932 Q933	I928-E930 VanDerWaalsContact C-N 3.3Å; I928-E930 PolarHBondContact O-N 2.95Å; E930-L932 PolarHBondContact O-N 3.25Å; E930-Q933 VanDerWaalsContact O-CG 3.27Å; E930-Q933 WeakPolarHBondContact O-CG 3.34Å
931	S	51.6	Low	56.4	Low	67 Å²	67	77 Å²	77	47%	0.469	43%	0.428	S	S	.	.	H	α-helix	trans	-71.2	-32.6	-175.7	72.8	0	0	0	0	113.5	I928 Q933 N937	I928-S931 PolarHBondContact O-N 2.77Å; I928-S931 PolarHBondContact O-OG 2.92Å; S931-Q933 VanDerWaalsContact C-N 3.3Å; S931-Q933 PolarHBondContact O-N 2.88Å; S931-N937 PolarHBondContact O-ND2 3.3Å
932	L	58.8	Low	59.6	Low	16 Å²	16	69.5 Å²	69.5	8%	0.084	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	0.6	-175.6	-70.3	172	0	0	0	114.2	L875 I928 E930 S934 M938 A941	L875-L932 HydrophobicContact CD2-CB 4.46Å; L875-L932 HydrophobicContact CD2-CD1 4.19Å; L875-L932 HydrophobicContact CD2-CD2 4.41Å; I928-L932 HydrophobicContact CG2-CD1 3.98Å; E930-L932 PolarHBondContact O-N 3.25Å; L932-S934 PolarHBondContact O-N 2.81Å; L932-M938 WeakPolarHBondContact O-CG 3.18Å; L932-A941 HydrophobicContact CD2-CB 4.14Å
933	Q	63.2	Low	62.7	Low	108 Å²	108	64.3 Å²	64.3	51%	0.505	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.9	-172.7	-69.6	179.4	11.5	0	0	115.5	K882 E930 S931	K882-Q933 PolarHBondContact NZ-O 3.11Å; E930-Q933 VanDerWaalsContact O-CG 3.27Å; E930-Q933 WeakPolarHBondContact O-CG 3.34Å; S931-Q933 VanDerWaalsContact C-N 3.3Å; S931-Q933 PolarHBondContact O-N 2.88Å
934	S	74.9	Confident	65.8	Low	52 Å²	52	62.3 Å²	62.3	36%	0.364	34%	0.343	S	S	.	.	S	Bend	trans	-101.1	134.5	-178.3	179.7	0	0	0	0	112.7	L932 C936 N937 M938	L932-S934 PolarHBondContact O-N 2.81Å; S934-C936 PolarHBondContact O-N 3.3Å; S934-C936 VanDerWaalsContact O-N 3.1Å; S934-N937 WeakPolarHBondContact O-CB 3.33Å; S934-N937 PolarHBondContact O-N 2.6Å; S934-M938 PolarHBondContact O-N 3.28Å; S934-M938 VanDerWaalsContact O-N 3.13Å
935	P	80.1	Confident	68.7	Low	24 Å²	24	58 Å²	58	16%	0.156	32%	0.317	C	S	.	.	H	α-helix	trans	-52.4	-32.6	175.3	-29.7	37	0	0	0	114.8	N937 M938 V939 V1246 L1250	P935-N937 VanDerWaalsContact C-N 3.34Å; P935-M938 HydrophobicContact CG-CE 4.46Å; P935-M938 PolarHBondContact O-N 3.4Å; P935-V939 WeakPolarHBondContact O-CB 3.38Å; P935-V939 WeakPolarHBondContact O-CG2 3.13Å; P935-V939 PolarHBondContact O-N 3.4Å; P935-V1246 HydrophobicContact CB-CG1 3.67Å; P935-L1250 HydrophobicContact CB-CD2 3.79Å; P935-L1250 HydrophobicContact CG-CD2 4.47Å
936	C	78	Confident	71.6	Confident	59 Å²	59	53.9 Å²	53.9	40%	0.399	29%	0.288	S	S	.	.	H	α-helix	trans	-66	-37.8	177	-165.9	0	0	0	0	111.9	S934 T940	S934-C936 PolarHBondContact O-N 3.3Å; S934-C936 VanDerWaalsContact O-N 3.1Å; C936-T940 WeakPolarHBondContact O-CB 3.16Å; C936-T940 PolarHBondContact O-N 3.42Å; C936-T940 PolarHBondContact O-OG1 3.29Å
937	N	82.3	Confident	74.4	Confident	77 Å²	77	43.1 Å²	43.1	41%	0.412	25%	0.248	S	C	.	.	H	α-helix	trans	-72.9	-38.9	178.7	-63.6	8.5	0	0	0	110.5	S931 S934 P935 T940 A941	S931-N937 PolarHBondContact O-ND2 3.3Å; S934-N937 WeakPolarHBondContact O-CB 3.33Å; S934-N937 PolarHBondContact O-N 2.6Å; P935-N937 VanDerWaalsContact C-N 3.34Å; N937-T940 PolarHBondContact O-N 2.94Å; N937-A941 WeakPolarHBondContact O-CB 3.07Å; N937-A941 PolarHBondContact O-N 3.4Å
938	M	86	Confident	77.1	Confident	12 Å²	12	39.3 Å²	39.3	6%	0.059	22%	0.221	C	C	.	.	H	α-helix	trans	-58.7	-51	172.7	-57.2	-169.7	-136.1	0	0	111.6	L875 L932 S934 P935 T940 A941 L942 L1250	L875-M938 HydrophobicContact CD1-CB 4.08Å; L875-M938 HydrophobicContact CD2-CB 4.18Å; L875-M938 HydrophobicContact CD2-CG 3.74Å; L875-M938 HydrophobicContact CD2-SD 3.94Å; L932-M938 WeakPolarHBondContact O-CG 3.18Å; S934-M938 PolarHBondContact O-N 3.28Å; S934-M938 VanDerWaalsContact O-N 3.13Å; P935-M938 HydrophobicContact CG-CE 4.46Å; P935-M938 PolarHBondContact O-N 3.4Å; M938-T940 VanDerWaalsContact C-N 3.29Å; M938-T940 PolarHBondContact O-N 2.68Å; M938-A941 PolarHBondContact O-N 2.95Å; M938-L942 WeakPolarHBondContact O-CG 3.48Å; M938-L942 PolarHBondContact O-N 2.93Å; M938-L1250 HydrophobicContact CB-CD1 3.85Å; M938-L1250 HydrophobicContact CB-CD2 4.07Å; M938-L1250 HydrophobicContact CE-CD2 4.33Å; M938-L1250 HydrophobicContact CG-CD2 4.42Å; M938-L1250 HydrophobicContact SD-CD1 4.41Å; M938-L1250 HydrophobicContact SD-CD2 3.7Å
939	V	87.9	Confident	79.4	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-39.4	175.2	160	0	0	0	0	111.8	P935 R943 F1116 L1148 V1246 L1250	P935-V939 WeakPolarHBondContact O-CB 3.38Å; P935-V939 WeakPolarHBondContact O-CG2 3.13Å; P935-V939 PolarHBondContact O-N 3.4Å; V939-R943 WeakPolarHBondContact O-CG 3.4Å; V939-R943 PolarHBondContact O-N 2.93Å; V939-F1116 HydrophobicContact CG1-CE1 4.12Å; V939-F1116 HydrophobicContact CG1-CZ 3.7Å; V939-L1148 HydrophobicContact CB-CD1 4.41Å; V939-L1148 HydrophobicContact CG1-CD1 3.76Å; V939-L1148 HydrophobicContact CG2-CD1 4.39Å; V939-V1246 HydrophobicContact CG2-CG1 3.99Å; V939-L1250 HydrophobicContact CG2-CB 4.07Å; V939-L1250 HydrophobicContact CG2-CD1 4.36Å
940	T	88	Confident	81.6	Confident	48 Å²	48	35.1 Å²	35.1	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-68.4	-38.1	177.4	-57.4	0	0	0	0	112.2	C936 N937 M938 R943 K944 F1045	C936-T940 WeakPolarHBondContact O-CB 3.16Å; C936-T940 PolarHBondContact O-N 3.42Å; C936-T940 PolarHBondContact O-OG1 3.29Å; N937-T940 PolarHBondContact O-N 2.94Å; M938-T940 VanDerWaalsContact C-N 3.29Å; M938-T940 PolarHBondContact O-N 2.68Å; T940-R943 PolarHBondContact O-N 3.15Å; T940-K944 PolarHBondContact O-N 3.22Å; T940-K944 VanDerWaalsContact O-N 3.1Å; T940-F1045 HydrophobicContact CG2-CE1 4.03Å; T940-F1045 HydrophobicContact CG2-CZ 4.3Å
941	A	88.6	Confident	83.6	Confident	22 Å²	22	28.7 Å²	28.7	18%	0.182	17%	0.166	C	C	.	.	H	α-helix	trans	-66.3	-44.5	176	0	0	0	0	0	111.7	L871 L932 N937 M938 R943 K944 A945	L871-A941 HydrophobicContact CD2-CB 4.02Å; L932-A941 HydrophobicContact CD2-CB 4.14Å; N937-A941 WeakPolarHBondContact O-CB 3.07Å; N937-A941 PolarHBondContact O-N 3.4Å; M938-A941 PolarHBondContact O-N 2.95Å; A941-R943 VanDerWaalsContact C-N 3.33Å; A941-R943 PolarHBondContact O-N 3.36Å; A941-K944 WeakPolarHBondContact O-CB 3.34Å; A941-K944 PolarHBondContact O-N 3.1Å; A941-K944 VanDerWaalsContact O-N 3.17Å; A941-A945 PolarHBondContact O-N 2.91Å
942	L	91.7	Very high	85	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-62.3	-38.8	174.9	-66	167	0	0	0	111.8	Y868 L871 V872 L875 M938 K944 A945 A946 L1148 L1250	Y868-L942 HydrophobicContact CE1-CD2 4.42Å; Y868-L942 HydrophobicContact CE2-CB 4.17Å; Y868-L942 HydrophobicContact CE2-CD2 4.12Å; Y868-L942 WeakPolarHBondContact CE2-O 3.48Å; L871-L942 HydrophobicContact CD2-CD2 3.9Å; L871-L942 HydrophobicContact CD2-CG 4.37Å; L871-L942 HydrophobicContact CG-CD2 3.96Å; V872-L942 HydrophobicContact CG2-CD2 3.62Å; L875-L942 HydrophobicContact CD1-CD1 4.1Å; L875-L942 HydrophobicContact CD1-CD2 4.14Å; L875-L942 HydrophobicContact CD1-CG 3.99Å; M938-L942 WeakPolarHBondContact O-CG 3.48Å; M938-L942 PolarHBondContact O-N 2.93Å; L942-K944 PolarHBondContact O-N 3.3Å; L942-A945 PolarHBondContact O-N 3.49Å; L942-A946 WeakPolarHBondContact O-CB 3.5Å; L942-A946 PolarHBondContact O-N 3.26Å; L942-L1148 HydrophobicContact CB-CD2 3.63Å; L942-L1250 HydrophobicContact CD1-CD1 4.05Å
943	R	92.7	Very high	85.9	Confident	6 Å²	6	29.3 Å²	29.3	2%	0.023	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-37.9	172.4	-80.4	-172.9	62.9	144.1	9.7	113.6	V939 T940 A941 N947 Q1044 F1045 D1113 I1114 L1148 M1152	V939-R943 WeakPolarHBondContact O-CG 3.4Å; V939-R943 PolarHBondContact O-N 2.93Å; T940-R943 PolarHBondContact O-N 3.15Å; A941-R943 VanDerWaalsContact C-N 3.33Å; A941-R943 PolarHBondContact O-N 3.36Å; R943-N947 PolarHBondContact O-N 2.91Å; R943-N947 PolarHBondContact O-ND2 3.07Å; R943-Q1044 VanDerWaalsContact NH2-CG 3.3Å; R943-F1045 HydrophobicContact CB-CE2 4.05Å; R943-F1045 HydrophobicContact CB-CZ 3.98Å; R943-D1113 IonicContact CZ-OD2 3.15Å; R943-D1113 IonicContact NE-OD2 2.71Å; R943-D1113 IonicContact NH2-OD2 3.61Å; R943-D1113 PolarHBondContact NH2-OD2 3.46Å; R943-I1114 VanDerWaalsContact CZ-O 3.26Å; R943-I1114 PolarHBondContact NH1-O 3.25Å; R943-I1114 PolarHBondContact NH2-O 3.08Å; R943-L1148 HydrophobicContact CG-CD1 4.16Å; R943-L1148 HydrophobicContact CG-CD2 4.05Å; R943-L1148 HydrophobicContact CG-CG 4.41Å; R943-M1152 HydrophobicContact CG-SD 4.12Å
944	K	91.8	Very high	86.3	Confident	61 Å²	61	26.3 Å²	26.3	27%	0.265	17%	0.166	S	C	.	.	H	α-helix	trans	-63.8	-47.6	174.3	-73.6	-174.4	-178.6	-166.1	0	110.9	T940 A941 L942 A946 N947 H948 L951 F1045 I1047	T940-K944 PolarHBondContact O-N 3.22Å; T940-K944 VanDerWaalsContact O-N 3.1Å; A941-K944 WeakPolarHBondContact O-CB 3.34Å; A941-K944 PolarHBondContact O-N 3.1Å; A941-K944 VanDerWaalsContact O-N 3.17Å; L942-K944 PolarHBondContact O-N 3.3Å; K944-A946 PolarHBondContact O-N 3.29Å; K944-N947 PolarHBondContact O-N 3.21Å; K944-H948 PolarHBondContact O-N 2.88Å; K944-L951 HydrophobicContact CB-CB 3.97Å; K944-L951 HydrophobicContact CB-CD1 4.34Å; K944-L951 HydrophobicContact CD-CB 4.45Å; K944-L951 HydrophobicContact CG-CB 4.45Å; K944-F1045 HydrophobicContact CG-CE1 4.45Å; K944-I1047 HydrophobicContact CD-CD1 4.38Å
945	A	91.7	Very high	86.6	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-59.3	-42.4	177.8	0	0	0	0	0	112.9	Q864 Y868 L871 A941 L942 N947 F952	Q864-A945 WeakPolarHBondContact CG-O 3.45Å; Q864-A945 PolarHBondContact NE2-O 3.24Å; Y868-A945 HydrophobicContact CD2-CB 3.68Å; Y868-A945 HydrophobicContact CE2-CB 4.42Å; L871-A945 HydrophobicContact CD2-CB 4.26Å; A941-A945 PolarHBondContact O-N 2.91Å; L942-A945 PolarHBondContact O-N 3.49Å; A945-N947 PolarHBondContact O-N 3.02Å; A945-F952 HydrophobicContact CB-CE1 3.87Å; A945-F952 HydrophobicContact CB-CE2 3.94Å; A945-F952 HydrophobicContact CB-CZ 3.31Å
946	A	93.4	Very high	86.6	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.3	-23.6	175.2	0	0	0	0	0	113.5	Q864 Y868 L942 K944 S1144 T1147 E1149	Q864-A946 VanDerWaalsContact NE2-C 3.34Å; Q864-A946 PolarHBondContact NE2-O 3.2Å; Y868-A946 HydrophobicContact CD2-CB 4.47Å; Y868-A946 HydrophobicContact CE2-CB 4.1Å; L942-A946 WeakPolarHBondContact O-CB 3.5Å; L942-A946 PolarHBondContact O-N 3.26Å; K944-A946 PolarHBondContact O-N 3.29Å; A946-S1144 PolarHBondContact O-OG 3.13Å; A946-T1147 HydrophobicContact CB-CG2 3.92Å; A946-E1149 HydrophobicContact CB-CG 4.43Å
947	N	94.1	Very high	87.1	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-89.3	-52	179.8	-84.9	-34.6	0	0	0	113.7	R943 K944 A945 L951 S1019 K1021 M1048 H1112 D1113	R943-N947 PolarHBondContact O-N 2.91Å; R943-N947 PolarHBondContact O-ND2 3.07Å; K944-N947 PolarHBondContact O-N 3.21Å; A945-N947 PolarHBondContact O-N 3.02Å; N947-L951 HydrophobicContact CB-CD1 4.21Å; N947-S1019 VanDerWaalsContact O-CB 3.26Å; N947-S1019 WeakPolarHBondContact O-CB 3.06Å; N947-S1019 PolarHBondContact O-OG 3.23Å; N947-K1021 PolarHBondContact OD1-NZ 3.47Å; N947-M1048 HydrophobicContact CB-SD 3.99Å; N947-H1112 PolarHBondContact OD1-CE1 3.32Å; N947-H1112 PolarHBondContact OD1-ND1 3.31Å; N947-D1113 PolarHBondContact ND2-OD2 3.32Å
948	H	93.6	Very high	87.3	Confident	2 Å²	2	24.1 Å²	24.1	1%	0.009	15%	0.153	C	C	.	.			trans	-161.8	143.3	-178.6	-165.4	-86.6	0	0	0	113.8	K944 A950 L951 I1015 S1019 I1022 M1048 I1051	K944-H948 PolarHBondContact O-N 2.88Å; H948-A950 WeakPolarHBondContact ND1-CB 3.1Å; H948-A950 PolarHBondContact ND1-N 3.45Å; H948-A950 PolarHBondContact O-N 2.7Å; H948-L951 HydrophobicContact CB-CD1 4.14Å; H948-L951 HydrophobicContact CB-CG 4.19Å; H948-L951 WeakPolarHBondContact O-CB 3.42Å; H948-L951 PolarHBondContact O-N 2.77Å; H948-I1015 PolarHBondContact NE2-O 3.37Å; H948-S1019 WeakPolarHBondContact CD2-CB 3.28Å; H948-I1022 WeakPolarHBondContact CD2-CD1 3.45Å; H948-M1048 HydrophobicContact CB-CE 4.17Å; H948-M1048 HydrophobicContact CB-SD 3.96Å; H948-I1051 HydrophobicContact CB-CD1 4.19Å
949	Q	91.1	Very high	87.3	Confident	27 Å²	27	26 Å²	26	13%	0.126	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-60.3	-42.3	178.8	-78.9	171.6	61.1	0	0	113.8	T861 S863 Q864 L951 F952 L955 G1018	T861-Q949 PolarHBondContact OG1-NE2 2.69Å; T861-Q949 VanDerWaalsContact OG1-NE2 3.09Å; S863-Q949 PolarHBondContact OG-OE1 3.38Å; Q864-Q949 HydrophobicContact CB-CG 3.8Å; Q864-Q949 HydrophobicContact CG-CG 4.17Å; Q949-L951 PolarHBondContact O-N 2.77Å; Q949-F952 WeakPolarHBondContact O-CB 3.24Å; Q949-F952 VanDerWaalsContact O-CD2 3.25Å; Q949-F952 WeakPolarHBondContact O-CD2 3.42Å; Q949-F952 PolarHBondContact O-N 3.12Å; Q949-L955 HydrophobicContact CB-CD2 3.84Å; Q949-L955 HydrophobicContact CG-CD2 4.06Å; Q949-G1018 VanDerWaalsContact CB-O 3.3Å; Q949-G1018 WeakPolarHBondContact CB-O 3.49Å; Q949-G1018 WeakPolarHBondContact CG-O 3.34Å; Q949-G1018 PolarHBondContact N-O 3.25Å; Q949-G1018 PolarHBondContact NE2-O 3.48Å
950	A	87.7	Confident	87.3	Confident	10 Å²	10	29.2 Å²	29.2	8%	0.083	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-71.7	4	-178.9	0	0	0	0	0	114	H948 N991 D992 H993	H948-A950 WeakPolarHBondContact ND1-CB 3.1Å; H948-A950 PolarHBondContact ND1-N 3.45Å; H948-A950 PolarHBondContact O-N 2.7Å; A950-N991 PolarHBondContact O-OD1 3.49Å; A950-D992 HydrophobicContact CB-CB 4.32Å; A950-D992 PolarHBondContact O-N 2.8Å; A950-H993 HydrophobicContact CB-CB 3.79Å; A950-H993 WeakPolarHBondContact O-CB 3.37Å; A950-H993 PolarHBondContact O-N 3.29Å
951	L	88.1	Confident	87.3	Confident	8 Å²	8	29.3 Å²	29.3	4%	0.042	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-89.7	-5.2	166.6	-61	176.1	0	0	0	113.3	K944 N947 H948 Q949 I1047 M1048 I1051	K944-L951 HydrophobicContact CB-CB 3.97Å; K944-L951 HydrophobicContact CB-CD1 4.34Å; K944-L951 HydrophobicContact CD-CB 4.45Å; K944-L951 HydrophobicContact CG-CB 4.45Å; N947-L951 HydrophobicContact CB-CD1 4.21Å; H948-L951 HydrophobicContact CB-CD1 4.14Å; H948-L951 HydrophobicContact CB-CG 4.19Å; H948-L951 WeakPolarHBondContact O-CB 3.42Å; H948-L951 PolarHBondContact O-N 2.77Å; Q949-L951 PolarHBondContact O-N 2.77Å; L951-I1047 HydrophobicContact CD2-CB 4.15Å; L951-I1047 HydrophobicContact CD2-CD1 3.77Å; L951-I1047 HydrophobicContact CD2-CG1 3.77Å; L951-M1048 HydrophobicContact CD1-SD 3.95Å; L951-I1051 HydrophobicContact CD1-CD1 4.41Å; L951-I1051 HydrophobicContact CD2-CD1 3.53Å; L951-I1051 HydrophobicContact CG-CD1 3.7Å
952	F	82.3	Confident	87.4	Confident	34 Å²	34	28.4 Å²	28.4	15%	0.149	18%	0.176	C	C	.	.	S	Bend	trans	-73.1	167.6	159.7	-70.7	-71.5	0	0	0	110.8	H867 L871 A945 Q949 L955 N991 D992	H867-F952 HydrophobicContact CB-CD2 4.25Å; H867-F952 HydrophobicContact CB-CE1 4.45Å; H867-F952 HydrophobicContact CB-CE2 3.57Å; H867-F952 HydrophobicContact CB-CZ 3.67Å; H867-F952 WeakPolarHBondContact O-CZ 3.33Å; L871-F952 HydrophobicContact CB-CE1 4.4Å; L871-F952 HydrophobicContact CD2-CE1 4.08Å; A945-F952 HydrophobicContact CB-CE1 3.87Å; A945-F952 HydrophobicContact CB-CE2 3.94Å; A945-F952 HydrophobicContact CB-CZ 3.31Å; Q949-F952 WeakPolarHBondContact O-CB 3.24Å; Q949-F952 VanDerWaalsContact O-CD2 3.25Å; Q949-F952 WeakPolarHBondContact O-CD2 3.42Å; Q949-F952 PolarHBondContact O-N 3.12Å; F952-L955 HydrophobicContact CB-CB 4.3Å; F952-L955 HydrophobicContact CD2-CD2 3.96Å; F952-N991 WeakPolarHBondContact O-CA 3.47Å; F952-N991 VanDerWaalsContact O-CB 3.29Å; F952-N991 WeakPolarHBondContact O-CB 3.41Å; F952-D992 PolarHBondContact O-N 3.44Å
953	S	76.6	Confident	87.3	Confident	62 Å²	62	34.8 Å²	34.8	43%	0.434	20%	0.2	S	C	.	.	S	Bend	trans	-114.8	128.9	168.1	-59.9	0	0	0	0	108.2	M990	S953-M990 VanDerWaalsContact CB-O 3.22Å; S953-M990 WeakPolarHBondContact CB-O 3.15Å; S953-M990 PolarHBondContact OG-O 3.15Å
954	G	72.3	Confident	87.2	Confident	45 Å²	45	37.4 Å²	37.4	46%	0.464	22%	0.215	S	C	.	.	S	Bend	trans	85.6	22.7	172.8	0	0	0	0	0	115.4	Y957 D992	G954-Y957 WeakPolarHBondContact CA-O 3.32Å; G954-D992 PolarHBondContact N-OD1 3.06Å
955	L	79.9	Confident	87.1	Confident	51 Å²	51	34.5 Å²	34.5	27%	0.267	20%	0.202	S	C	.	.	S	Bend	trans	-95.9	-55.2	177.3	167.7	57.4	0	0	0	111.1	H867 Q949 F952 D992	H867-L955 VanDerWaalsContact CD2-CD1 3.47Å; H867-L955 WeakPolarHBondContact CD2-CD1 3.39Å; H867-L955 VanDerWaalsContact NE2-CD1 3.25Å; H867-L955 WeakPolarHBondContact NE2-CD1 3.26Å; Q949-L955 HydrophobicContact CB-CD2 3.84Å; Q949-L955 HydrophobicContact CG-CD2 4.06Å; F952-L955 HydrophobicContact CB-CB 4.3Å; F952-L955 HydrophobicContact CD2-CD2 3.96Å; L955-D992 WeakPolarHBondContact CA-OD2 3.48Å; L955-D992 VanDerWaalsContact CB-OD2 3.3Å; L955-D992 WeakPolarHBondContact CB-OD2 3.35Å; L955-D992 PolarHBondContact N-OD2 2.9Å
956	A	81.5	Confident	87	Confident	42 Å²	42	34.5 Å²	34.5	35%	0.347	20%	0.202	S	C	.	.	S	Bend	trans	-83.6	-24.7	175	0	0	0	0	0	112.9	D992 L1010	A956-D992 HydrophobicContact CB-CB 4.27Å; A956-D992 PolarHBondContact N-OD2 3.41Å; A956-L1010 HydrophobicContact CB-CD2 3.64Å
957	Y	86.9	Confident	86.9	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.016	23%	0.229	C	C	.	.	S	Bend	trans	-117	100.4	-179.6	-64.5	-81.6	0	0	0	110.3	G954 L962 I965 D992 I995 H996 Y1008 L1010	G954-Y957 WeakPolarHBondContact CA-O 3.32Å; Y957-L962 HydrophobicContact CG-CD2 4.47Å; Y957-I965 HydrophobicContact CD1-CD1 3.62Å; Y957-I965 HydrophobicContact CE1-CD1 3.84Å; Y957-D992 HydrophobicContact CD2-CB 3.89Å; Y957-D992 HydrophobicContact CE2-CB 4.25Å; Y957-D992 VanDerWaalsContact CE2-O 3.27Å; Y957-D992 WeakPolarHBondContact CE2-O 3.42Å; Y957-I995 HydrophobicContact CD1-CG2 3.75Å; Y957-I995 HydrophobicContact CD2-CB 3.86Å; Y957-I995 HydrophobicContact CD2-CD1 4.11Å; Y957-I995 HydrophobicContact CD2-CG2 3.76Å; Y957-I995 HydrophobicContact CE1-CG2 3.76Å; Y957-I995 HydrophobicContact CE2-CB 3.87Å; Y957-I995 HydrophobicContact CE2-CG2 3.78Å; Y957-I995 HydrophobicContact CG-CB 4.32Å; Y957-I995 HydrophobicContact CG-CD1 4.32Å; Y957-I995 HydrophobicContact CG-CG2 3.75Å; Y957-H996 HydrophobicContact CE2-CB 4.47Å; Y957-H996 WeakPolarHBondContact OH-CA 3.44Å; Y957-Y1008 WeakPolarHBondContact CE1-O 3.5Å; Y957-Y1008 PolarHBondContact OH-O 2.7Å; Y957-L1010 HydrophobicContact CE2-CD1 4.38Å; Y957-L1010 HydrophobicContact CE2-CD2 3.75Å; Y957-L1010 HydrophobicContact CE2-CG 4.11Å
958	T	87.5	Confident	86.6	Confident	70 Å²	70	41.3 Å²	41.3	43%	0.429	24%	0.237	S	C	.	.			trans	-71.7	162.1	179.5	82.3	0	0	0	0	111.7	S960 N961 L962	T958-S960 CarbonylContact O-C 3.54Å; T958-S960 PolarHBondContact O-N 3.12Å; T958-S960 PolarHBondContact OG1-N 2.71Å; T958-N961 WeakPolarHBondContact CB-OD1 3.38Å; T958-N961 WeakPolarHBondContact CG2-OD1 3.32Å; T958-N961 PolarHBondContact N-OD1 2.82Å; T958-N961 WeakPolarHBondContact O-CB 3.42Å; T958-N961 PolarHBondContact O-N 3.02Å; T958-N961 PolarHBondContact OG1-N 3.23Å; T958-N961 PolarHBondContact OG1-OD1 3.49Å; T958-L962 WeakPolarHBondContact O-CG 3.34Å; T958-L962 PolarHBondContact O-N 3.24Å
959	D	86.6	Confident	86.2	Confident	51 Å²	51	41.5 Å²	41.5	27%	0.273	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-16.6	172.9	-82.2	-17.3	0	0	0	113.6	R963 Y984 R988	D959-R963 WeakPolarHBondContact O-CG 3.23Å; D959-Y984 PolarHBondContact OD1-OH 2.68Å; D959-R988 IonicContact OD1-CZ 2.68Å; D959-R988 IonicContact OD1-NE 2.7Å; D959-R988 PolarHBondContact OD1-NE 3.47Å; D959-R988 IonicContact OD1-NH2 3.98Å; D959-R988 PolarHBondContact OD1-NH2 2.94Å; D959-R988 IonicContact OD2-CZ 3.55Å; D959-R988 IonicContact OD2-NE 2.84Å; D959-R988 IonicContact OD2-NH2 3.42Å; D959-R988 PolarHBondContact OD2-NH2 2.97Å
960	S	87.7	Confident	86	Confident	68 Å²	68	43.3 Å²	43.3	48%	0.476	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-58.5	166.9	-165	0	0	0	0	110.5	T958 L962 R963 D964	T958-S960 CarbonylContact O-C 3.54Å; T958-S960 PolarHBondContact O-N 3.12Å; T958-S960 PolarHBondContact OG1-N 2.71Å; S960-L962 PolarHBondContact O-N 2.92Å; S960-R963 WeakPolarHBondContact O-CA 3.17Å; S960-R963 WeakPolarHBondContact O-CB 3.26Å; S960-R963 PolarHBondContact O-N 3.18Å; S960-D964 PolarHBondContact O-N 3.24Å; S960-D964 VanDerWaalsContact O-OD2 3.09Å; S960-D964 PolarHBondContact OG-OD2 3.29Å
961	N	87.8	Confident	85.8	Confident	50 Å²	50	49.4 Å²	49.4	27%	0.267	28%	0.276	S	S	.	.	H	α-helix	trans	-51.5	-36.6	179.1	-56.7	74.8	0	0	0	112.1	T958 R963 D964 I965	T958-N961 WeakPolarHBondContact CB-OD1 3.38Å; T958-N961 WeakPolarHBondContact CG2-OD1 3.32Å; T958-N961 PolarHBondContact N-OD1 2.82Å; T958-N961 WeakPolarHBondContact O-CB 3.42Å; T958-N961 PolarHBondContact O-N 3.02Å; T958-N961 PolarHBondContact OG1-N 3.23Å; T958-N961 PolarHBondContact OG1-OD1 3.49Å; N961-R963 VanDerWaalsContact C-N 3.34Å; N961-R963 PolarHBondContact O-N 3.08Å; N961-D964 WeakPolarHBondContact CA-OD2 3.45Å; N961-D964 PolarHBondContact N-OD2 2.95Å; N961-D964 PolarHBondContact O-N 3.47Å; N961-I965 VanDerWaalsContact O-CB 3.27Å; N961-I965 WeakPolarHBondContact O-CB 3.48Å; N961-I965 WeakPolarHBondContact O-CD1 3.45Å; N961-I965 WeakPolarHBondContact O-CG1 3.49Å; N961-I965 PolarHBondContact O-N 3.13Å
962	L	89.7	Confident	85.6	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-66.9	-31.1	177.4	-62.8	-177	0	0	0	113.3	Y957 T958 S960 A966 Y984 L987 R988 I995	Y957-L962 HydrophobicContact CG-CD2 4.47Å; T958-L962 WeakPolarHBondContact O-CG 3.34Å; T958-L962 PolarHBondContact O-N 3.24Å; S960-L962 PolarHBondContact O-N 2.92Å; L962-A966 VanDerWaalsContact O-CB 3.29Å; L962-A966 WeakPolarHBondContact O-CB 3.36Å; L962-A966 PolarHBondContact O-N 3.48Å; L962-Y984 HydrophobicContact CB-CD2 3.83Å; L962-Y984 HydrophobicContact CB-CE2 3.93Å; L962-L987 HydrophobicContact CD2-CB 4.26Å; L962-L987 WeakPolarHBondContact O-CD1 3.49Å; L962-R988 HydrophobicContact CD1-CB 4.2Å; L962-R988 HydrophobicContact CD1-CG 4.21Å; L962-I995 HydrophobicContact CD2-CD1 3.78Å
963	R	90.9	Very high	85.6	Confident	135 Å²	135	52.2 Å²	52.2	51%	0.509	30%	0.297	S	S	.	.	H	α-helix	trans	-75.7	-45.2	172	-64.3	172.4	-172	-158.5	-1.7	110.7	D959 S960 N961 I965 A966 E967 Y984	D959-R963 WeakPolarHBondContact O-CG 3.23Å; S960-R963 WeakPolarHBondContact O-CA 3.17Å; S960-R963 WeakPolarHBondContact O-CB 3.26Å; S960-R963 PolarHBondContact O-N 3.18Å; N961-R963 VanDerWaalsContact C-N 3.34Å; N961-R963 PolarHBondContact O-N 3.08Å; R963-I965 PolarHBondContact O-N 3.4Å; R963-A966 PolarHBondContact O-N 3.08Å; R963-E967 PolarHBondContact O-N 3.33Å; R963-Y984 HydrophobicContact CB-CD2 4.47Å; R963-Y984 HydrophobicContact CG-CD2 3.51Å; R963-Y984 HydrophobicContact CG-CE2 3.58Å; R963-Y984 HydrophobicContact CG-CG 4.3Å
964	D	90.2	Very high	85.7	Confident	60 Å²	60	51.2 Å²	51.2	32%	0.321	29%	0.29	S	S	.	.	H	α-helix	trans	-57.3	-40	177.3	-47.9	-37.2	0	0	0	110.2	S960 N961 S968 Y1008	S960-D964 PolarHBondContact O-N 3.24Å; S960-D964 VanDerWaalsContact O-OD2 3.09Å; S960-D964 PolarHBondContact OG-OD2 3.29Å; N961-D964 WeakPolarHBondContact CA-OD2 3.45Å; N961-D964 PolarHBondContact N-OD2 2.95Å; N961-D964 PolarHBondContact O-N 3.47Å; D964-S968 WeakPolarHBondContact O-CB 3.33Å; D964-S968 PolarHBondContact O-N 3.48Å; D964-S968 PolarHBondContact O-OG 3.42Å; D964-Y1008 HydrophobicContact CB-CE1 4.14Å; D964-Y1008 WeakPolarHBondContact CB-OH 3.47Å
965	I	89.7	Confident	86	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.7	-42.7	171.8	-71.2	164.8	0	0	0	112.1	Y957 N961 R963 S968 L969 L987 I995 L1005 Y1008	Y957-I965 HydrophobicContact CD1-CD1 3.62Å; Y957-I965 HydrophobicContact CE1-CD1 3.84Å; N961-I965 VanDerWaalsContact O-CB 3.27Å; N961-I965 WeakPolarHBondContact O-CB 3.48Å; N961-I965 WeakPolarHBondContact O-CD1 3.45Å; N961-I965 WeakPolarHBondContact O-CG1 3.49Å; N961-I965 PolarHBondContact O-N 3.13Å; R963-I965 PolarHBondContact O-N 3.4Å; I965-S968 PolarHBondContact O-N 3.21Å; I965-L969 VanDerWaalsContact O-CB 3.24Å; I965-L969 WeakPolarHBondContact O-CB 3.26Å; I965-L969 PolarHBondContact O-N 2.75Å; I965-L987 HydrophobicContact CB-CD1 4.31Å; I965-L987 HydrophobicContact CG2-CD1 3.71Å; I965-L987 HydrophobicContact CG2-CD2 4.27Å; I965-I995 HydrophobicContact CD1-CG2 4.14Å; I965-L1005 HydrophobicContact CB-CD2 4.37Å; I965-L1005 HydrophobicContact CG1-CD2 4.47Å; I965-L1005 HydrophobicContact CG2-CD1 3.93Å; I965-L1005 HydrophobicContact CG2-CD2 3.92Å; I965-Y1008 HydrophobicContact CD1-CD1 4.14Å; I965-Y1008 HydrophobicContact CD1-CG 3.98Å; I965-Y1008 HydrophobicContact CG1-CD1 3.82Å; I965-Y1008 HydrophobicContact CG1-CD2 3.71Å; I965-Y1008 HydrophobicContact CG1-CE1 4.14Å; I965-Y1008 HydrophobicContact CG1-CE2 4.04Å; I965-Y1008 HydrophobicContact CG1-CG 3.59Å
966	A	90	Very high	86	Confident	2 Å²	2	51.7 Å²	51.7	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-42.1	179.3	0	0	0	0	0	112.6	L962 R963 L969 H970 I983 L987	L962-A966 VanDerWaalsContact O-CB 3.29Å; L962-A966 WeakPolarHBondContact O-CB 3.36Å; L962-A966 PolarHBondContact O-N 3.48Å; R963-A966 PolarHBondContact O-N 3.08Å; A966-L969 PolarHBondContact O-N 3.35Å; A966-H970 WeakPolarHBondContact O-CB 3.36Å; A966-H970 PolarHBondContact O-N 2.87Å; A966-I983 HydrophobicContact CB-CB 4.01Å; A966-I983 HydrophobicContact CB-CG2 3.76Å; A966-L987 HydrophobicContact CB-CD1 4.12Å
967	E	90	Very high	86	Confident	121 Å²	121	57.1 Å²	57.1	57%	0.565	31%	0.309	S	S	*	.	H	α-helix	trans	-66.2	-45.4	173	-68.8	179.4	-159.4	0	0	110.9	R963 L969 H970 L971	R963-E967 PolarHBondContact O-N 3.33Å; E967-L969 VanDerWaalsContact C-N 3.29Å; E967-L969 PolarHBondContact O-N 2.98Å; E967-H970 PolarHBondContact O-N 3.49Å; E967-L971 PolarHBondContact O-N 2.87Å
968	S	88	Confident	85.8	Confident	22 Å²	22	58.7 Å²	58.7	15%	0.154	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-35.6	175.6	-60.1	0	0	0	0	112.7	D964 I965 L971	D964-S968 WeakPolarHBondContact O-CB 3.33Å; D964-S968 PolarHBondContact O-N 3.48Å; D964-S968 PolarHBondContact O-OG 3.42Å; I965-S968 PolarHBondContact O-N 3.21Å; S968-L971 PolarHBondContact O-N 3.02Å
969	L	85.8	Confident	85.8	Confident	5 Å²	5	59 Å²	59	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-75.8	-35	177.6	-170.9	61.4	0	0	0	111.8	I965 A966 E967 L971 D972 H975 I983 L998 Y1002 L1005	I965-L969 VanDerWaalsContact O-CB 3.24Å; I965-L969 WeakPolarHBondContact O-CB 3.26Å; I965-L969 PolarHBondContact O-N 2.75Å; A966-L969 PolarHBondContact O-N 3.35Å; E967-L969 VanDerWaalsContact C-N 3.29Å; E967-L969 PolarHBondContact O-N 2.98Å; L969-L971 PolarHBondContact O-N 2.94Å; L969-D972 HydrophobicContact CD1-CB 4.35Å; L969-D972 VanDerWaalsContact O-CB 3.22Å; L969-D972 WeakPolarHBondContact O-CB 3.23Å; L969-D972 PolarHBondContact O-N 2.9Å; L969-H975 VanDerWaalsContact CD1-ND1 3.34Å; L969-H975 WeakPolarHBondContact CD1-ND1 3.29Å; L969-H975 HydrophobicContact CG-CB 4.2Å; L969-H975 WeakPolarHBondContact CG-ND1 3.43Å; L969-H975 WeakPolarHBondContact O-CB 3.43Å; L969-I983 HydrophobicContact CD2-CG2 3.95Å; L969-L998 HydrophobicContact CD2-CD2 4.23Å; L969-Y1002 HydrophobicContact CD1-CD1 3.92Å; L969-Y1002 HydrophobicContact CD1-CD2 3.91Å; L969-Y1002 HydrophobicContact CD1-CE1 4.27Å; L969-Y1002 HydrophobicContact CD1-CE2 4.27Å; L969-Y1002 HydrophobicContact CD1-CG 3.75Å; L969-L1005 HydrophobicContact CB-CD1 4.45Å; L969-L1005 HydrophobicContact CD1-CD1 4.06Å
970	H	86.2	Confident	85.8	Confident	66 Å²	66	58.3 Å²	58.3	31%	0.306	32%	0.32	S	S	.	.	H	α-helix	trans	-63.1	-25	173	-179.1	80.4	0	0	0	112.9	A966 E967 D972 S976 A978 P980 I983	A966-H970 WeakPolarHBondContact O-CB 3.36Å; A966-H970 PolarHBondContact O-N 2.87Å; E967-H970 PolarHBondContact O-N 3.49Å; H970-D972 VanDerWaalsContact C-N 3.29Å; H970-S976 PolarHBondContact CE1-O 3.43Å; H970-S976 WeakPolarHBondContact O-CA 3.22Å; H970-A978 PolarHBondContact CE1-O 2.76Å; H970-A978 PolarHBondContact ND1-O 3.48Å; H970-P980 HydrophobicContact CB-CG 3.95Å; H970-I983 HydrophobicContact CB-CD1 4.38Å
971	L	83.8	Confident	85.8	Confident	138 Å²	138	60.2 Å²	60.2	72%	0.723	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-15.2	170.5	-64.1	172.8	0	0	0	113.6	E967 S968 L969	E967-L971 PolarHBondContact O-N 2.87Å; S968-L971 PolarHBondContact O-N 3.02Å; L969-L971 PolarHBondContact O-N 2.94Å
972	D	83.9	Confident	85.8	Confident	22 Å²	22	62.5 Å²	62.5	12%	0.118	34%	0.336	C	S	.	.	S	Bend	trans	-74.7	133.4	174.1	-170.1	-79	0	0	0	110.6	L969 H970 S974 H975 S976 V1004	L969-D972 HydrophobicContact CD1-CB 4.35Å; L969-D972 VanDerWaalsContact O-CB 3.22Å; L969-D972 WeakPolarHBondContact O-CB 3.23Å; L969-D972 PolarHBondContact O-N 2.9Å; H970-D972 VanDerWaalsContact C-N 3.29Å; D972-S974 PolarHBondContact O-N 3.23Å; D972-S974 WeakPolarHBondContact OD1-CA 3.39Å; D972-S974 WeakPolarHBondContact OD1-CB 3.28Å; D972-S974 PolarHBondContact OD1-N 3.24Å; D972-S974 PolarHBondContact OD1-OG 3.31Å; D972-H975 PolarHBondContact O-N 3.48Å; D972-S976 PolarHBondContact O-N 3.08Å; D972-S976 VanDerWaalsContact O-N 3.14Å; D972-V1004 HydrophobicContact CB-CG2 4.2Å
973	P	82.5	Confident	85.6	Confident	79 Å²	79	63.1 Å²	63.1	51%	0.513	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-18.4	178.6	-26.7	35.2	0	0	0	115.3	V34	V34-P973 HydrophobicContact CG1-CB 4.09Å; V34-P973 HydrophobicContact CG2-CB 3.62Å
974	S	79.3	Confident	85.6	Confident	41 Å²	41	58.1 Å²	58.1	29%	0.287	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-27.6	174.8	-45	0	0	0	0	113.2	D972	D972-S974 PolarHBondContact O-N 3.23Å; D972-S974 WeakPolarHBondContact OD1-CA 3.39Å; D972-S974 WeakPolarHBondContact OD1-CB 3.28Å; D972-S974 PolarHBondContact OD1-N 3.24Å; D972-S974 PolarHBondContact OD1-OG 3.31Å
975	H	79.2	Confident	85.4	Confident	47 Å²	47	61.5 Å²	61.5	22%	0.218	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	4.5	-170.2	-64.1	105.1	0	0	0	114.7	L969 D972 N977 A978 I983 Y1002	L969-H975 VanDerWaalsContact CD1-ND1 3.34Å; L969-H975 WeakPolarHBondContact CD1-ND1 3.29Å; L969-H975 HydrophobicContact CG-CB 4.2Å; L969-H975 WeakPolarHBondContact CG-ND1 3.43Å; L969-H975 WeakPolarHBondContact O-CB 3.43Å; D972-H975 PolarHBondContact O-N 3.48Å; H975-N977 PolarHBondContact O-N 2.93Å; H975-A978 PolarHBondContact O-N 3.46Å; H975-I983 HydrophobicContact CB-CD1 4.42Å; H975-Y1002 AromaticContact CE1-CE1 3.91Å; H975-Y1002 AromaticContact CE1-CZ 3.59Å; H975-Y1002 PolarHBondContact CE1-OH 2.79Å
976	S	78.4	Confident	85.3	Confident	59 Å²	59	67 Å²	67	41%	0.413	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-14.9	177.4	73.3	0	0	0	0	115.6	H970 D972	H970-S976 PolarHBondContact CE1-O 3.43Å; H970-S976 WeakPolarHBondContact O-CA 3.22Å; D972-S976 PolarHBondContact O-N 3.08Å; D972-S976 VanDerWaalsContact O-N 3.14Å
977	N	82.1	Confident	85.2	Confident	156 Å²	156	67.1 Å²	67.1	83%	0.834	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-1.2	178.5	-59.6	-48.7	0	0	0	113.7	H975	H975-N977 PolarHBondContact O-N 2.93Å
978	A	82.5	Confident	85	Confident	37 Å²	37	64.8 Å²	64.8	31%	0.306	35%	0.35	S	S	.	.	S	Bend	trans	-101.6	140.5	179.6	0	0	0	0	0	110.9	H970 H975 P980 I983	H970-A978 PolarHBondContact CE1-O 2.76Å; H970-A978 PolarHBondContact ND1-O 3.48Å; H975-A978 PolarHBondContact O-N 3.46Å; A978-P980 WeakPolarHBondContact O-CD 3.37Å; A978-I983 HydrophobicContact CB-CD1 4.07Å; A978-I983 HydrophobicContact CB-CG1 4.2Å
979	D	87	Confident	84.7	Confident	75 Å²	75	67.7 Å²	67.7	40%	0.401	38%	0.376	S	S	.	.			trans	-67.8	124.1	177.2	-179.2	-10	0	0	0	110.4	N981 L982 I983	D979-N981 PolarHBondContact O-N 2.75Å; D979-N981 VanDerWaalsContact O-N 3.09Å; D979-N981 WeakPolarHBondContact OD1-CB 3.5Å; D979-N981 PolarHBondContact OD1-N 2.82Å; D979-N981 PolarHBondContact OD1-ND2 2.9Å; D979-L982 HydrophobicContact CB-CB 4.34Å; D979-L982 HydrophobicContact CB-CD1 4.06Å; D979-L982 HydrophobicContact CB-CG 4.02Å; D979-L982 PolarHBondContact O-N 3.31Å; D979-I983 PolarHBondContact O-N 2.83Å; D979-I983 VanDerWaalsContact O-N 3.09Å
980	P	87.2	Confident	84.6	Confident	37 Å²	37	69.5 Å²	69.5	24%	0.24	39%	0.385	C	S	.	.	H	α-helix	trans	-52.1	-29.9	175	-27.1	34.7	0	0	0	114.1	H970 A978 I983 Y984	H970-P980 HydrophobicContact CB-CG 3.95Å; A978-P980 WeakPolarHBondContact O-CD 3.37Å; P980-I983 PolarHBondContact O-N 3.4Å; P980-Y984 WeakPolarHBondContact O-CB 3.44Å; P980-Y984 PolarHBondContact O-N 3.27Å
981	N	87.5	Confident	84.6	Confident	108 Å²	108	66.7 Å²	66.7	58%	0.578	37%	0.372	S	S	*	.	H	α-helix	trans	-67.9	-39.6	176.7	-61.1	-83.2	0	0	0	111.9	D979 Y984 E985	D979-N981 PolarHBondContact O-N 2.75Å; D979-N981 VanDerWaalsContact O-N 3.09Å; D979-N981 WeakPolarHBondContact OD1-CB 3.5Å; D979-N981 PolarHBondContact OD1-N 2.82Å; D979-N981 PolarHBondContact OD1-ND2 2.9Å; N981-Y984 PolarHBondContact O-N 2.91Å; N981-E985 WeakPolarHBondContact O-CG 3.37Å; N981-E985 PolarHBondContact O-N 3.25Å
982	L	87.3	Confident	84.8	Confident	99 Å²	99	60.2 Å²	60.2	52%	0.518	34%	0.338	S	S	.	.	H	α-helix	trans	-69.9	-40.8	175.8	-64.3	178.1	0	0	0	111.1	D979 Y984 E985 D986	D979-L982 HydrophobicContact CB-CB 4.34Å; D979-L982 HydrophobicContact CB-CD1 4.06Å; D979-L982 HydrophobicContact CB-CG 4.02Å; D979-L982 PolarHBondContact O-N 3.31Å; L982-Y984 VanDerWaalsContact C-N 3.3Å; L982-Y984 PolarHBondContact O-N 3.42Å; L982-E985 PolarHBondContact O-N 3.43Å; L982-D986 PolarHBondContact O-N 3.05Å
983	I	87.1	Confident	84.9	Confident	16 Å²	16	59.4 Å²	59.4	8%	0.082	33%	0.333	C	S	.	.	H	α-helix	trans	-58.2	-44.8	173	-60.2	173.2	0	0	0	110.1	A966 L969 H970 H975 A978 D979 P980 D986 L987	A966-I983 HydrophobicContact CB-CB 4.01Å; A966-I983 HydrophobicContact CB-CG2 3.76Å; L969-I983 HydrophobicContact CD2-CG2 3.95Å; H970-I983 HydrophobicContact CB-CD1 4.38Å; H975-I983 HydrophobicContact CB-CD1 4.42Å; A978-I983 HydrophobicContact CB-CD1 4.07Å; A978-I983 HydrophobicContact CB-CG1 4.2Å; D979-I983 PolarHBondContact O-N 2.83Å; D979-I983 VanDerWaalsContact O-N 3.09Å; P980-I983 PolarHBondContact O-N 3.4Å; I983-D986 PolarHBondContact O-N 3.13Å; I983-L987 HydrophobicContact CG2-CD1 3.82Å; I983-L987 HydrophobicContact CG2-CG 4.27Å; I983-L987 VanDerWaalsContact O-CB 3.32Å; I983-L987 WeakPolarHBondContact O-CB 3.49Å; I983-L987 WeakPolarHBondContact O-CG 3.46Å; I983-L987 PolarHBondContact O-N 3.37Å
984	Y	90	Very high	85.2	Confident	30 Å²	30	58.6 Å²	58.6	12%	0.118	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-41.1	175.7	168.6	-96.8	0	0	0	112.8	D959 L962 R963 P980 N981 L982 R988	D959-Y984 PolarHBondContact OD1-OH 2.68Å; L962-Y984 HydrophobicContact CB-CD2 3.83Å; L962-Y984 HydrophobicContact CB-CE2 3.93Å; R963-Y984 HydrophobicContact CB-CD2 4.47Å; R963-Y984 HydrophobicContact CG-CD2 3.51Å; R963-Y984 HydrophobicContact CG-CE2 3.58Å; R963-Y984 HydrophobicContact CG-CG 4.3Å; P980-Y984 WeakPolarHBondContact O-CB 3.44Å; P980-Y984 PolarHBondContact O-N 3.27Å; N981-Y984 PolarHBondContact O-N 2.91Å; L982-Y984 VanDerWaalsContact C-N 3.3Å; L982-Y984 PolarHBondContact O-N 3.42Å; Y984-R988 VanDerWaalsContact O-CB 3.27Å; Y984-R988 WeakPolarHBondContact O-CB 3.33Å; Y984-R988 PolarHBondContact O-N 2.74Å
985	E	86.3	Confident	85.7	Confident	132 Å²	132	56.7 Å²	56.7	62%	0.617	31%	0.31	S	S	*	.	H	α-helix	trans	-64.6	-42.7	176	-74.5	-168.7	159.1	0	0	112.5	N981 L982 R988 A989	N981-E985 WeakPolarHBondContact O-CG 3.37Å; N981-E985 PolarHBondContact O-N 3.25Å; L982-E985 PolarHBondContact O-N 3.43Å; E985-R988 PolarHBondContact O-N 2.97Å; E985-A989 PolarHBondContact O-N 3.12Å
986	D	87.3	Confident	86.2	Confident	116 Å²	116	54.7 Å²	54.7	62%	0.62	30%	0.3	S	S	*	.	H	α-helix	trans	-64.3	-47.7	175.5	-80.9	-26.9	0	0	0	111.7	L982 I983 R988 A989 M990	L982-D986 PolarHBondContact O-N 3.05Å; I983-D986 PolarHBondContact O-N 3.13Å; D986-R988 VanDerWaalsContact C-N 3.26Å; D986-R988 PolarHBondContact O-N 2.87Å; D986-A989 WeakPolarHBondContact O-CB 3.47Å; D986-A989 PolarHBondContact O-N 2.96Å; D986-M990 PolarHBondContact O-N 3.12Å
987	L	87.8	Confident	86.6	Confident	4 Å²	4	55 Å²	55	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-56.2	-40.9	175.9	-77.1	170.5	0	0	0	112	L962 I965 A966 I983 A989 M990 I995 L998	L962-L987 HydrophobicContact CD2-CB 4.26Å; L962-L987 WeakPolarHBondContact O-CD1 3.49Å; I965-L987 HydrophobicContact CB-CD1 4.31Å; I965-L987 HydrophobicContact CG2-CD1 3.71Å; I965-L987 HydrophobicContact CG2-CD2 4.27Å; A966-L987 HydrophobicContact CB-CD1 4.12Å; I983-L987 HydrophobicContact CG2-CD1 3.82Å; I983-L987 HydrophobicContact CG2-CG 4.27Å; I983-L987 VanDerWaalsContact O-CB 3.32Å; I983-L987 WeakPolarHBondContact O-CB 3.49Å; I983-L987 WeakPolarHBondContact O-CG 3.46Å; I983-L987 PolarHBondContact O-N 3.37Å; L987-A989 PolarHBondContact O-N 3.43Å; L987-M990 HydrophobicContact CD2-SD 4.17Å; L987-M990 WeakPolarHBondContact O-CB 3.32Å; L987-M990 PolarHBondContact O-N 3.28Å; L987-M990 VanDerWaalsContact O-N 3.11Å; L987-I995 HydrophobicContact CD2-CG1 4.37Å; L987-L998 HydrophobicContact CD2-CD2 3.58Å
988	R	85.8	Confident	86.9	Confident	71 Å²	71	49.1 Å²	49.1	27%	0.268	26%	0.262	S	S	.	.	H	α-helix	trans	-69.6	-15.3	179.7	-157.4	178	-163.2	-146.6	5.7	113.5	V923 D959 L962 Y984 E985 D986	V923-R988 PolarHBondContact O-NH2 2.74Å; D959-R988 IonicContact OD1-CZ 2.68Å; D959-R988 IonicContact OD1-NE 2.7Å; D959-R988 PolarHBondContact OD1-NE 3.47Å; D959-R988 IonicContact OD1-NH2 3.98Å; D959-R988 PolarHBondContact OD1-NH2 2.94Å; D959-R988 IonicContact OD2-CZ 3.55Å; D959-R988 IonicContact OD2-NE 2.84Å; D959-R988 IonicContact OD2-NH2 3.42Å; D959-R988 PolarHBondContact OD2-NH2 2.97Å; L962-R988 HydrophobicContact CD1-CB 4.2Å; L962-R988 HydrophobicContact CD1-CG 4.21Å; Y984-R988 VanDerWaalsContact O-CB 3.27Å; Y984-R988 WeakPolarHBondContact O-CB 3.33Å; Y984-R988 PolarHBondContact O-N 2.74Å; E985-R988 PolarHBondContact O-N 2.97Å; D986-R988 VanDerWaalsContact C-N 3.26Å; D986-R988 PolarHBondContact O-N 2.87Å
989	A	82.6	Confident	87.2	Confident	83 Å²	83	47.4 Å²	47.4	69%	0.686	25%	0.248	S	C	*	.	H	α-helix	trans	-90.3	-14.4	172.5	0	0	0	0	0	113.6	E985 D986 L987	E985-A989 PolarHBondContact O-N 3.12Å; D986-A989 WeakPolarHBondContact O-CB 3.47Å; D986-A989 PolarHBondContact O-N 2.96Å; L987-A989 PolarHBondContact O-N 3.43Å
990	M	82.5	Confident	87.2	Confident	43 Å²	43	47.9 Å²	47.9	21%	0.212	25%	0.248	C	C	.	.	S	Bend	trans	-79.2	162.2	177.4	-66.5	166.8	65	0	0	111.6	S953 D986 L987 Q994 I995 L998	S953-M990 VanDerWaalsContact CB-O 3.22Å; S953-M990 WeakPolarHBondContact CB-O 3.15Å; S953-M990 PolarHBondContact OG-O 3.15Å; D986-M990 PolarHBondContact O-N 3.12Å; L987-M990 HydrophobicContact CD2-SD 4.17Å; L987-M990 WeakPolarHBondContact O-CB 3.32Å; L987-M990 PolarHBondContact O-N 3.28Å; L987-M990 VanDerWaalsContact O-N 3.11Å; M990-Q994 HydrophobicContact CB-CB 4.08Å; M990-Q994 HydrophobicContact CE-CB 3.73Å; M990-Q994 WeakPolarHBondContact CE-O 3.39Å; M990-I995 HydrophobicContact CB-CD1 4.37Å; M990-I995 HydrophobicContact CB-CG1 3.9Å; M990-I995 HydrophobicContact CE-CG1 4.38Å; M990-L998 HydrophobicContact CE-CB 4.44Å
991	N	85.8	Confident	87.2	Confident	8 Å²	8	52.4 Å²	52.4	4%	0.043	27%	0.27	C	S	.	.			trans	-90.1	160	165.3	62.8	75.4	0	0	0	111.5	A950 F952 H993 Q994 I995	A950-N991 PolarHBondContact O-OD1 3.49Å; F952-N991 WeakPolarHBondContact O-CA 3.47Å; F952-N991 VanDerWaalsContact O-CB 3.29Å; F952-N991 WeakPolarHBondContact O-CB 3.41Å; N991-H993 PolarHBondContact O-N 3.3Å; N991-H993 PolarHBondContact OD1-N 3.05Å; N991-Q994 PolarHBondContact ND2-OE1 3.44Å; N991-Q994 WeakPolarHBondContact O-CA 3.43Å; N991-Q994 WeakPolarHBondContact O-CB 3.25Å; N991-Q994 PolarHBondContact O-N 3.44Å; N991-Q994 PolarHBondContact OD1-N 3.01Å; N991-Q994 VanDerWaalsContact OD1-N 3.1Å; N991-I995 PolarHBondContact O-N 2.75Å
992	D	88.2	Confident	87.1	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-59.4	-35.1	-172.7	-64.4	-9.4	0	0	0	112.6	A950 F952 G954 L955 A956 Y957 I995 H996	A950-D992 HydrophobicContact CB-CB 4.32Å; A950-D992 PolarHBondContact O-N 2.8Å; F952-D992 PolarHBondContact O-N 3.44Å; G954-D992 PolarHBondContact N-OD1 3.06Å; L955-D992 WeakPolarHBondContact CA-OD2 3.48Å; L955-D992 VanDerWaalsContact CB-OD2 3.3Å; L955-D992 WeakPolarHBondContact CB-OD2 3.35Å; L955-D992 PolarHBondContact N-OD2 2.9Å; A956-D992 HydrophobicContact CB-CB 4.27Å; A956-D992 PolarHBondContact N-OD2 3.41Å; Y957-D992 HydrophobicContact CD2-CB 3.89Å; Y957-D992 HydrophobicContact CE2-CB 4.25Å; Y957-D992 VanDerWaalsContact CE2-O 3.27Å; Y957-D992 WeakPolarHBondContact CE2-O 3.42Å; D992-I995 PolarHBondContact O-N 2.62Å; D992-H996 WeakPolarHBondContact O-CB 3.45Å; D992-H996 PolarHBondContact O-N 3.43Å
993	H	87.1	Confident	87	Confident	5 Å²	5	52.3 Å²	52.3	2%	0.023	26%	0.262	C	S	.	.	H	α-helix	trans	-70	-31.5	173.4	158.5	-90	0	0	0	113.1	A950 N991 K997 D1050 I1051	A950-H993 HydrophobicContact CB-CB 3.79Å; A950-H993 WeakPolarHBondContact O-CB 3.37Å; A950-H993 PolarHBondContact O-N 3.29Å; N991-H993 PolarHBondContact O-N 3.3Å; N991-H993 PolarHBondContact OD1-N 3.05Å; H993-K997 VanDerWaalsContact NE2-CE 3.34Å; H993-K997 WeakPolarHBondContact NE2-CE 3.44Å; H993-K997 PolarHBondContact O-N 3.28Å; H993-D1050 WeakPolarHBondContact CE1-CB 3.32Å; H993-D1050 IonicContact CE1-OD2 3.43Å; H993-D1050 PolarHBondContact CE1-OD2 2.92Å; H993-I1051 HydrophobicContact CB-CD1 4.07Å; H993-I1051 HydrophobicContact CB-CG1 4.03Å
994	Q	88	Confident	87	Confident	63 Å²	63	54.5 Å²	54.5	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-67.6	-39.3	170.2	-72.4	176.5	-73	0	0	111.7	M990 N991 K997 L998	M990-Q994 HydrophobicContact CB-CB 4.08Å; M990-Q994 HydrophobicContact CE-CB 3.73Å; M990-Q994 WeakPolarHBondContact CE-O 3.39Å; N991-Q994 PolarHBondContact ND2-OE1 3.44Å; N991-Q994 WeakPolarHBondContact O-CA 3.43Å; N991-Q994 WeakPolarHBondContact O-CB 3.25Å; N991-Q994 PolarHBondContact O-N 3.44Å; N991-Q994 PolarHBondContact OD1-N 3.01Å; N991-Q994 VanDerWaalsContact OD1-N 3.1Å; Q994-K997 PolarHBondContact O-N 3.39Å; Q994-L998 PolarHBondContact O-N 2.87Å
995	I	89.5	Confident	86.9	Confident	1 Å²	1	53 Å²	53	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-65.5	-43.9	175.4	-61.6	156.3	0	0	0	109.5	Y957 L962 I965 L987 M990 N991 D992 K997 L998 C999	Y957-I995 HydrophobicContact CD1-CG2 3.75Å; Y957-I995 HydrophobicContact CD2-CB 3.86Å; Y957-I995 HydrophobicContact CD2-CD1 4.11Å; Y957-I995 HydrophobicContact CD2-CG2 3.76Å; Y957-I995 HydrophobicContact CE1-CG2 3.76Å; Y957-I995 HydrophobicContact CE2-CB 3.87Å; Y957-I995 HydrophobicContact CE2-CG2 3.78Å; Y957-I995 HydrophobicContact CG-CB 4.32Å; Y957-I995 HydrophobicContact CG-CD1 4.32Å; Y957-I995 HydrophobicContact CG-CG2 3.75Å; L962-I995 HydrophobicContact CD2-CD1 3.78Å; I965-I995 HydrophobicContact CD1-CG2 4.14Å; L987-I995 HydrophobicContact CD2-CG1 4.37Å; M990-I995 HydrophobicContact CB-CD1 4.37Å; M990-I995 HydrophobicContact CB-CG1 3.9Å; M990-I995 HydrophobicContact CE-CG1 4.38Å; N991-I995 PolarHBondContact O-N 2.75Å; D992-I995 PolarHBondContact O-N 2.62Å; I995-K997 VanDerWaalsContact C-N 3.33Å; I995-K997 PolarHBondContact O-N 3.34Å; I995-L998 CarbonylContact O-C 3.55Å; I995-L998 WeakPolarHBondContact O-CA 3.48Å; I995-L998 VanDerWaalsContact O-CB 3.28Å; I995-L998 WeakPolarHBondContact O-CB 3.44Å; I995-L998 PolarHBondContact O-N 3.04Å; I995-C999 PolarHBondContact O-N 3.17Å; I995-C999 PolarHBondContact O-SG 2.73Å
996	H	90.1	Very high	86.8	Confident	5 Å²	5	49.6 Å²	49.6	2%	0.023	26%	0.261	C	S	.	.	H	α-helix	trans	-54.4	-45.7	172.9	175.3	41	0	0	0	112.9	Y957 D992 L998 C999 Q1000 L1010 I1015	Y957-H996 HydrophobicContact CE2-CB 4.47Å; Y957-H996 WeakPolarHBondContact OH-CA 3.44Å; D992-H996 WeakPolarHBondContact O-CB 3.45Å; D992-H996 PolarHBondContact O-N 3.43Å; H996-L998 VanDerWaalsContact C-N 3.32Å; H996-L998 PolarHBondContact O-N 2.93Å; H996-C999 CarbonylContact O-C 3.59Å; H996-C999 WeakPolarHBondContact O-CB 3.31Å; H996-C999 PolarHBondContact O-N 3.1Å; H996-Q1000 PolarHBondContact NE2-NE2 2.88Å; H996-Q1000 PolarHBondContact O-N 3.25Å; H996-L1010 HydrophobicContact CB-CD1 3.84Å; H996-L1010 HydrophobicContact CB-CG 3.89Å; H996-L1010 PolarHBondContact ND1-N 3.12Å; H996-I1015 WeakPolarHBondContact NE2-CD1 3.26Å
997	K	87.3	Confident	86.8	Confident	64 Å²	64	49.1 Å²	49.1	28%	0.278	26%	0.264	S	S	.	.	H	α-helix	trans	-61.7	-37.3	173.6	-81.9	-174.3	165.6	-172.3	0	112.7	H993 Q994 I995 Q1000 L1001 D1050	H993-K997 VanDerWaalsContact NE2-CE 3.34Å; H993-K997 WeakPolarHBondContact NE2-CE 3.44Å; H993-K997 PolarHBondContact O-N 3.28Å; Q994-K997 PolarHBondContact O-N 3.39Å; I995-K997 VanDerWaalsContact C-N 3.33Å; I995-K997 PolarHBondContact O-N 3.34Å; K997-Q1000 PolarHBondContact O-N 3.26Å; K997-L1001 WeakPolarHBondContact O-CG 3.36Å; K997-L1001 PolarHBondContact O-N 3.16Å; K997-D1050 IonicContact NZ-OD1 3.34Å; K997-D1050 PolarHBondContact NZ-OD1 2.94Å; K997-D1050 IonicContact NZ-OD2 3.17Å; K997-D1050 PolarHBondContact NZ-OD2 3.49Å
998	L	88.1	Confident	86.8	Confident	33 Å²	33	51.8 Å²	51.8	17%	0.173	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-43.3	173	-165.4	76.6	0	0	0	111	L969 L987 M990 Q994 I995 H996 Q1000 L1001 Y1002 L1005	L969-L998 HydrophobicContact CD2-CD2 4.23Å; L987-L998 HydrophobicContact CD2-CD2 3.58Å; M990-L998 HydrophobicContact CE-CB 4.44Å; Q994-L998 PolarHBondContact O-N 2.87Å; I995-L998 CarbonylContact O-C 3.55Å; I995-L998 WeakPolarHBondContact O-CA 3.48Å; I995-L998 VanDerWaalsContact O-CB 3.28Å; I995-L998 WeakPolarHBondContact O-CB 3.44Å; I995-L998 PolarHBondContact O-N 3.04Å; H996-L998 VanDerWaalsContact C-N 3.32Å; H996-L998 PolarHBondContact O-N 2.93Å; L998-Q1000 PolarHBondContact O-N 3.18Å; L998-L1001 PolarHBondContact O-N 3.28Å; L998-Y1002 HydrophobicContact CD1-CD2 4.14Å; L998-Y1002 HydrophobicContact CD1-CE2 3.77Å; L998-Y1002 HydrophobicContact CG-CD2 4.23Å; L998-Y1002 HydrophobicContact CG-CE2 4.36Å; L998-Y1002 PolarHBondContact O-N 3.49Å; L998-L1005 HydrophobicContact CD2-CD1 4.26Å; L998-L1005 HydrophobicContact CG-CD1 4.26Å
999	C	89	Confident	86.9	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.007	28%	0.278	C	S	.	.	H	α-helix	trans	-64.2	-24	175.5	-60.1	0	0	0	0	113.7	I995 H996 L1005 T1009	I995-C999 PolarHBondContact O-N 3.17Å; I995-C999 PolarHBondContact O-SG 2.73Å; H996-C999 CarbonylContact O-C 3.59Å; H996-C999 WeakPolarHBondContact O-CB 3.31Å; H996-C999 PolarHBondContact O-N 3.1Å; C999-L1005 HydrophobicContact CB-CB 4.17Å; C999-L1005 WeakPolarHBondContact CB-O 3.48Å; C999-L1005 CarbonylContact O-C 3.59Å; C999-T1009 VanDerWaalsContact C-CG2 3.47Å; C999-T1009 HydrophobicContact CB-CG2 3.62Å; C999-T1009 WeakPolarHBondContact O-CG2 3.46Å
1000	Q	87.2	Confident	87	Confident	85 Å²	85	48.3 Å²	48.3	40%	0.397	25%	0.251	S	S	.	.	H	α-helix	trans	-80.7	-19.3	171.2	-71.4	-174.6	-27.1	0	0	113.8	H996 K997 L998 T1009 E1054	H996-Q1000 PolarHBondContact NE2-NE2 2.88Å; H996-Q1000 PolarHBondContact O-N 3.25Å; K997-Q1000 PolarHBondContact O-N 3.26Å; L998-Q1000 PolarHBondContact O-N 3.18Å; Q1000-T1009 HydrophobicContact CG-CG2 3.95Å; Q1000-E1054 PolarHBondContact NE2-OE1 2.85Å
1001	L	86.8	Confident	87.2	Confident	133 Å²	133	49.1 Å²	49.1	70%	0.696	26%	0.261	S	S	*	.	H	α-helix	trans	-87.9	-33.3	-177.6	-74.3	168.7	0	0	0	113.3	K997 L998	K997-L1001 WeakPolarHBondContact O-CG 3.36Å; K997-L1001 PolarHBondContact O-N 3.16Å; L998-L1001 PolarHBondContact O-N 3.28Å
1002	Y	86.1	Confident	87.2	Confident	31 Å²	31	52 Å²	52	12%	0.122	28%	0.281	C	S	.	.			trans	-109.2	122	-178.1	-64.4	-83.5	0	0	0	110.5	L969 H975 L998 V1004 L1005 S1006	L969-Y1002 HydrophobicContact CD1-CD1 3.92Å; L969-Y1002 HydrophobicContact CD1-CD2 3.91Å; L969-Y1002 HydrophobicContact CD1-CE1 4.27Å; L969-Y1002 HydrophobicContact CD1-CE2 4.27Å; L969-Y1002 HydrophobicContact CD1-CG 3.75Å; H975-Y1002 AromaticContact CE1-CE1 3.91Å; H975-Y1002 AromaticContact CE1-CZ 3.59Å; H975-Y1002 PolarHBondContact CE1-OH 2.79Å; L998-Y1002 HydrophobicContact CD1-CD2 4.14Å; L998-Y1002 HydrophobicContact CD1-CE2 3.77Å; L998-Y1002 HydrophobicContact CG-CD2 4.23Å; L998-Y1002 HydrophobicContact CG-CE2 4.36Å; L998-Y1002 PolarHBondContact O-N 3.49Å; Y1002-V1004 PolarHBondContact O-N 2.91Å; Y1002-L1005 HydrophobicContact CD2-CD1 4.44Å; Y1002-L1005 WeakPolarHBondContact O-CA 3.48Å; Y1002-L1005 PolarHBondContact O-N 3.47Å; Y1002-S1006 PolarHBondContact O-N 3.07Å
1003	E	84.3	Confident	87.1	Confident	173 Å²	173	59.3 Å²	59.3	81%	0.808	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-58.9	-37.3	-177.8	-173.7	168.1	-163.7	0	0	112	L1005 S1006	E1003-L1005 PolarHBondContact O-N 2.74Å; E1003-S1006 VanDerWaalsContact O-CB 3.32Å; E1003-S1006 WeakPolarHBondContact O-CB 3.26Å; E1003-S1006 PolarHBondContact O-N 3.04Å; E1003-S1006 VanDerWaalsContact O-N 3.08Å; E1003-S1006 PolarHBondContact O-OG 3.26Å
1004	V	87	Confident	87.1	Confident	62 Å²	62	61.3 Å²	61.3	38%	0.376	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-57.2	-28.3	173.6	-148.6	0	0	0	0	112.8	D972 Y1002	D972-V1004 HydrophobicContact CB-CG2 4.2Å; Y1002-V1004 PolarHBondContact O-N 2.91Å
1005	L	87.6	Confident	87.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-97.7	-0.9	-179	-61.1	-172.3	0	0	0	113.8	I965 L969 L998 C999 Y1002 E1003 P1007 Y1008	I965-L1005 HydrophobicContact CB-CD2 4.37Å; I965-L1005 HydrophobicContact CG1-CD2 4.47Å; I965-L1005 HydrophobicContact CG2-CD1 3.93Å; I965-L1005 HydrophobicContact CG2-CD2 3.92Å; L969-L1005 HydrophobicContact CB-CD1 4.45Å; L969-L1005 HydrophobicContact CD1-CD1 4.06Å; L998-L1005 HydrophobicContact CD2-CD1 4.26Å; L998-L1005 HydrophobicContact CG-CD1 4.26Å; C999-L1005 HydrophobicContact CB-CB 4.17Å; C999-L1005 WeakPolarHBondContact CB-O 3.48Å; C999-L1005 CarbonylContact O-C 3.59Å; Y1002-L1005 HydrophobicContact CD2-CD1 4.44Å; Y1002-L1005 WeakPolarHBondContact O-CA 3.48Å; Y1002-L1005 PolarHBondContact O-N 3.47Å; E1003-L1005 PolarHBondContact O-N 2.74Å; L1005-P1007 VanDerWaalsContact C-N 3.31Å; L1005-Y1008 HydrophobicContact CD2-CD2 4.16Å; L1005-Y1008 HydrophobicContact CD2-CE2 4.34Å; L1005-Y1008 WeakPolarHBondContact O-CB 3.4Å; L1005-Y1008 PolarHBondContact O-N 3.19Å
1006	S	84.9	Confident	87.1	Confident	59 Å²	59	60.2 Å²	60.2	41%	0.413	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-54.8	-33.4	-179.9	63.1	0	0	0	0	115.2	Y1002 E1003 Y1008 T1009	Y1002-S1006 PolarHBondContact O-N 3.07Å; E1003-S1006 VanDerWaalsContact O-CB 3.32Å; E1003-S1006 WeakPolarHBondContact O-CB 3.26Å; E1003-S1006 PolarHBondContact O-N 3.04Å; E1003-S1006 VanDerWaalsContact O-N 3.08Å; E1003-S1006 PolarHBondContact O-OG 3.26Å; S1006-Y1008 PolarHBondContact O-N 2.74Å; S1006-T1009 PolarHBondContact O-N 3.26Å; S1006-T1009 VanDerWaalsContact O-N 3.13Å; S1006-T1009 PolarHBondContact O-OG1 3.18Å
1007	P	87.5	Confident	87	Confident	106 Å²	106	63.1 Å²	63.1	69%	0.688	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-64.4	-20.1	175.4	-22.1	35.4	0	0	0	114.2	L1005	L1005-P1007 VanDerWaalsContact C-N 3.31Å
1008	Y	87.1	Confident	87.1	Confident	60 Å²	60	60.1 Å²	60.1	24%	0.235	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-93.9	7.2	178.8	-55.2	-79.8	0	0	0	112.8	Y957 D964 I965 L1005 S1006	Y957-Y1008 WeakPolarHBondContact CE1-O 3.5Å; Y957-Y1008 PolarHBondContact OH-O 2.7Å; D964-Y1008 HydrophobicContact CB-CE1 4.14Å; D964-Y1008 WeakPolarHBondContact CB-OH 3.47Å; I965-Y1008 HydrophobicContact CD1-CD1 4.14Å; I965-Y1008 HydrophobicContact CD1-CG 3.98Å; I965-Y1008 HydrophobicContact CG1-CD1 3.82Å; I965-Y1008 HydrophobicContact CG1-CD2 3.71Å; I965-Y1008 HydrophobicContact CG1-CE1 4.14Å; I965-Y1008 HydrophobicContact CG1-CE2 4.04Å; I965-Y1008 HydrophobicContact CG1-CG 3.59Å; L1005-Y1008 HydrophobicContact CD2-CD2 4.16Å; L1005-Y1008 HydrophobicContact CD2-CE2 4.34Å; L1005-Y1008 WeakPolarHBondContact O-CB 3.4Å; L1005-Y1008 PolarHBondContact O-N 3.19Å; S1006-Y1008 PolarHBondContact O-N 2.74Å
1009	T	87.4	Confident	87.3	Confident	57 Å²	57	58.6 Å²	58.6	35%	0.35	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-69.5	137.3	175.6	52.5	0	0	0	0	111.7	C999 Q1000 S1006	C999-T1009 VanDerWaalsContact C-CG2 3.47Å; C999-T1009 HydrophobicContact CB-CG2 3.62Å; C999-T1009 WeakPolarHBondContact O-CG2 3.46Å; Q1000-T1009 HydrophobicContact CG-CG2 3.95Å; S1006-T1009 PolarHBondContact O-N 3.26Å; S1006-T1009 VanDerWaalsContact O-N 3.13Å; S1006-T1009 PolarHBondContact O-OG1 3.18Å
1010	L	86.4	Confident	87.6	Confident	25 Å²	25	58.8 Å²	58.8	13%	0.131	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-63.1	140.8	174.6	-58.1	-178.4	0	0	0	110.5	A956 Y957 H996 I1015	A956-L1010 HydrophobicContact CB-CD2 3.64Å; Y957-L1010 HydrophobicContact CE2-CD1 4.38Å; Y957-L1010 HydrophobicContact CE2-CD2 3.75Å; Y957-L1010 HydrophobicContact CE2-CG 4.11Å; H996-L1010 HydrophobicContact CB-CD1 3.84Å; H996-L1010 HydrophobicContact CB-CG 3.89Å; H996-L1010 PolarHBondContact ND1-N 3.12Å; L1010-I1015 HydrophobicContact CB-CG1 4.48Å
1011	S	85.9	Confident	88	Confident	60 Å²	60	54.7 Å²	54.7	42%	0.42	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-66.6	148.4	173.3	67.9	0	0	0	0	111.2	E1013 S1014 I1015	S1011-E1013 PolarHBondContact O-N 2.93Å; S1011-S1014 WeakPolarHBondContact O-CB 3.45Å; S1011-S1014 PolarHBondContact O-N 2.71Å; S1011-S1014 WeakPolarHBondContact OG-CB 3.4Å; S1011-S1014 PolarHBondContact OG-N 3.3Å; S1011-I1015 PolarHBondContact O-N 3.02Å
1012	P	85.6	Confident	88.4	Confident	69 Å²	69	48.4 Å²	48.4	45%	0.448	28%	0.275	S	S	.	.	H	α-helix	trans	-53.7	-36.4	174.8	-30	37.3	0	0	0	113.6	S1014 I1015 I1016 I1058	P1012-S1014 PolarHBondContact O-N 3.5Å; P1012-I1015 PolarHBondContact O-N 3.29Å; P1012-I1016 PolarHBondContact O-N 2.94Å; P1012-I1016 VanDerWaalsContact O-N 3.16Å; P1012-I1058 HydrophobicContact CB-CD1 3.83Å; P1012-I1058 HydrophobicContact CB-CG1 3.97Å; P1012-I1058 HydrophobicContact CB-CG2 3.8Å; P1012-I1058 HydrophobicContact CG-CG1 4.48Å
1013	E	87	Confident	88.8	Confident	154 Å²	154	51.2 Å²	51.2	72%	0.72	29%	0.289	S	S	*	.	H	α-helix	trans	-65.3	-35.8	177.2	-62	-179.2	169	0	0	112.6	S1011 I1015 I1016 S1017	S1011-E1013 PolarHBondContact O-N 2.93Å; E1013-I1015 VanDerWaalsContact C-N 3.3Å; E1013-I1015 PolarHBondContact O-N 3.09Å; E1013-I1016 PolarHBondContact O-N 3.22Å; E1013-S1017 WeakPolarHBondContact O-CB 3.37Å; E1013-S1017 PolarHBondContact O-N 3.38Å; E1013-S1017 PolarHBondContact O-OG 3.28Å
1014	S	86.6	Confident	89.4	Confident	47 Å²	47	45.1 Å²	45.1	33%	0.329	26%	0.259	S	S	.	.	H	α-helix	trans	-63.9	-36.1	175.7	-174.2	0	0	0	0	111.7	S1011 P1012 G1018	S1011-S1014 WeakPolarHBondContact O-CB 3.45Å; S1011-S1014 PolarHBondContact O-N 2.71Å; S1011-S1014 WeakPolarHBondContact OG-CB 3.4Å; S1011-S1014 PolarHBondContact OG-N 3.3Å; P1012-S1014 PolarHBondContact O-N 3.5Å; S1014-G1018 WeakPolarHBondContact O-CA 3.42Å; S1014-G1018 PolarHBondContact O-N 3.4Å
1015	I	87.6	Confident	89.8	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.036	24%	0.241	C	C	.	.	H	α-helix	trans	-70.6	-41	176.6	-61.7	171.6	0	0	0	111.1	H948 H996 L1010 S1011 P1012 E1013 I1051 E1054 I1058	H948-I1015 PolarHBondContact NE2-O 3.37Å; H996-I1015 WeakPolarHBondContact NE2-CD1 3.26Å; L1010-I1015 HydrophobicContact CB-CG1 4.48Å; S1011-I1015 PolarHBondContact O-N 3.02Å; P1012-I1015 PolarHBondContact O-N 3.29Å; E1013-I1015 VanDerWaalsContact C-N 3.3Å; E1013-I1015 PolarHBondContact O-N 3.09Å; I1015-I1051 HydrophobicContact CG2-CG2 4.08Å; I1015-E1054 HydrophobicContact CD1-CG 3.94Å; I1015-I1058 HydrophobicContact CB-CD1 4.32Å; I1015-I1058 HydrophobicContact CD1-CD1 4.06Å; I1015-I1058 HydrophobicContact CG2-CD1 4.41Å
1016	I	89.1	Confident	90.1	Very high	34 Å²	34	44.8 Å²	44.8	17%	0.174	26%	0.255	C	S	.	.	H	α-helix	trans	-70.7	-49.7	179.3	-66	169.5	0	0	0	111.6	P1012 E1013 G1018 N1026 F1055 I1058	P1012-I1016 PolarHBondContact O-N 2.94Å; P1012-I1016 VanDerWaalsContact O-N 3.16Å; E1013-I1016 PolarHBondContact O-N 3.22Å; I1016-G1018 VanDerWaalsContact C-N 3.25Å; I1016-G1018 PolarHBondContact O-N 3.11Å; I1016-N1026 HydrophobicContact CG2-CB 4.27Å; I1016-F1055 HydrophobicContact CG1-CD2 4.08Å; I1016-F1055 HydrophobicContact CG1-CE2 4.49Å; I1016-I1058 HydrophobicContact CD1-CG2 3.89Å
1017	S	89.1	Confident	90.5	Very high	65 Å²	65	45.4 Å²	45.4	46%	0.455	25%	0.254	S	S	.	.	H	α-helix	trans	-74.6	-12.5	179	62.3	0	0	0	0	114.3	T861 E1013 S1019	T861-S1017 WeakPolarHBondContact CG2-O 3.35Å; T861-S1017 PolarHBondContact OG1-O 3.15Å; T861-S1017 VanDerWaalsContact OG1-O 3.05Å; E1013-S1017 WeakPolarHBondContact O-CB 3.37Å; E1013-S1017 PolarHBondContact O-N 3.38Å; E1013-S1017 PolarHBondContact O-OG 3.28Å; S1017-S1019 PolarHBondContact O-N 2.97Å; S1017-S1019 VanDerWaalsContact O-N 3.13Å
1018	G	88.1	Confident	90.9	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.021	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-9.8	177.2	0	0	0	0	0	115.2	Q949 S1014 I1016	Q949-G1018 VanDerWaalsContact CB-O 3.3Å; Q949-G1018 WeakPolarHBondContact CB-O 3.49Å; Q949-G1018 WeakPolarHBondContact CG-O 3.34Å; Q949-G1018 PolarHBondContact N-O 3.25Å; Q949-G1018 PolarHBondContact NE2-O 3.48Å; S1014-G1018 WeakPolarHBondContact O-CA 3.42Å; S1014-G1018 PolarHBondContact O-N 3.4Å; I1016-G1018 VanDerWaalsContact C-N 3.25Å; I1016-G1018 PolarHBondContact O-N 3.11Å
1019	S	93.5	Very high	91.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.22	C	C	.	.			trans	-155.5	139.1	176.7	177.5	0	0	0	0	113.6	N947 H948 S1017 K1021 I1022 Q1023	N947-S1019 VanDerWaalsContact O-CB 3.26Å; N947-S1019 WeakPolarHBondContact O-CB 3.06Å; N947-S1019 PolarHBondContact O-OG 3.23Å; H948-S1019 WeakPolarHBondContact CD2-CB 3.28Å; S1017-S1019 PolarHBondContact O-N 2.97Å; S1017-S1019 VanDerWaalsContact O-N 3.13Å; S1019-K1021 PolarHBondContact O-N 2.89Å; S1019-K1021 PolarHBondContact OG-N 2.96Å; S1019-I1022 PolarHBondContact O-N 2.78Å; S1019-Q1023 PolarHBondContact O-N 2.81Å
1020	G	94.3	Very high	91.6	Very high	5 Å²	5	39 Å²	39	5%	0.052	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-32.7	168.1	0	0	0	0	0	113	V858 Q864 Q1023 W1024	V858-G1020 WeakPolarHBondContact CG1-O 3.49Å; Q864-G1020 VanDerWaalsContact OE1-N 3.12Å; G1020-Q1023 PolarHBondContact O-N 3.36Å; G1020-W1024 WeakPolarHBondContact O-CB 3.35Å; G1020-W1024 PolarHBondContact O-N 3.07Å
1021	K	96.1	Very high	92	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-71.5	-37.4	178	-63.8	-171.9	-177.9	-176.5	0	112.4	V858 N947 S1019 L1025 H1112 L1142 S1144 E1149	V858-K1021 HydrophobicContact CG1-CG 4.22Å; N947-K1021 PolarHBondContact OD1-NZ 3.47Å; S1019-K1021 PolarHBondContact O-N 2.89Å; S1019-K1021 PolarHBondContact OG-N 2.96Å; K1021-L1025 WeakPolarHBondContact O-CG 3.4Å; K1021-L1025 PolarHBondContact O-N 3.06Å; K1021-H1112 PolarHBondContact NZ-O 2.98Å; K1021-L1142 HydrophobicContact CB-CD1 4.35Å; K1021-L1142 HydrophobicContact CD-CB 4.2Å; K1021-L1142 HydrophobicContact CG-CB 4.44Å; K1021-L1142 PolarHBondContact NZ-O 2.94Å; K1021-S1144 WeakPolarHBondContact CE-OG 3.08Å; K1021-E1149 VanDerWaalsContact CE-OE2 3.32Å; K1021-E1149 WeakPolarHBondContact CE-OE2 3.34Å; K1021-E1149 IonicContact NZ-OE1 2.8Å; K1021-E1149 PolarHBondContact NZ-OE1 3.27Å; K1021-E1149 IonicContact NZ-OE2 3.36Å; K1021-E1149 PolarHBondContact NZ-OE2 3.42Å
1022	I	95.7	Very high	92.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-72.7	-37.5	174	-62.5	-166.7	0	0	0	110.8	H948 S1019 W1024 L1025 N1026 M1048 I1051 L1052 F1055	H948-I1022 WeakPolarHBondContact CD2-CD1 3.45Å; S1019-I1022 PolarHBondContact O-N 2.78Å; I1022-W1024 PolarHBondContact O-N 3.48Å; I1022-L1025 WeakPolarHBondContact O-CB 3.31Å; I1022-L1025 PolarHBondContact O-N 3.11Å; I1022-N1026 WeakPolarHBondContact O-CB 3.44Å; I1022-N1026 PolarHBondContact O-N 2.76Å; I1022-M1048 HydrophobicContact CD1-CE 3.83Å; I1022-M1048 HydrophobicContact CG1-CE 4.12Å; I1022-I1051 HydrophobicContact CD1-CG2 3.58Å; I1022-L1052 HydrophobicContact CG1-CD2 4.47Å; I1022-F1055 HydrophobicContact CG2-CB 4.37Å; I1022-F1055 HydrophobicContact CG2-CD1 4.5Å; I1022-F1055 HydrophobicContact CG2-CD2 3.56Å; I1022-F1055 HydrophobicContact CG2-CE2 3.93Å; I1022-F1055 HydrophobicContact CG2-CG 3.88Å
1023	Q	94	Very high	92.7	Very high	90 Å²	90	39.1 Å²	39.1	42%	0.421	21%	0.205	S	C	.	.	H	α-helix	trans	-60	-45.2	171.7	-172.5	173.5	-6.1	0	0	111.5	S1019 G1020 L1025 N1026 D1027	S1019-Q1023 PolarHBondContact O-N 2.81Å; G1020-Q1023 PolarHBondContact O-N 3.36Å; Q1023-L1025 VanDerWaalsContact C-N 3.31Å; Q1023-L1025 PolarHBondContact O-N 2.99Å; Q1023-N1026 WeakPolarHBondContact O-CB 3.45Å; Q1023-N1026 PolarHBondContact O-N 2.66Å; Q1023-D1027 VanDerWaalsContact O-CG 3.22Å; Q1023-D1027 PolarHBondContact O-N 2.73Å
1024	W	96	Very high	93	Very high	46 Å²	46	36.4 Å²	36.4	17%	0.174	20%	0.204	C	C	.	.	H	α-helix	trans	-60.1	-39.3	174.2	-175.7	94.5	0	0	0	112.7	V856 G1020 I1022 D1027 N1028 I1110 I1140 L1142	V856-W1024 HydrophobicContact CG2-CZ2 4.35Å; G1020-W1024 WeakPolarHBondContact O-CB 3.35Å; G1020-W1024 PolarHBondContact O-N 3.07Å; I1022-W1024 PolarHBondContact O-N 3.48Å; W1024-D1027 PolarHBondContact O-N 3.01Å; W1024-N1028 HydrophobicContact CH2-CB 4.06Å; W1024-N1028 HydrophobicContact CZ2-CB 4.01Å; W1024-N1028 HydrophobicContact CZ3-CB 4.36Å; W1024-N1028 PolarHBondContact NE1-ND2 2.97Å; W1024-N1028 WeakPolarHBondContact O-CB 3.45Å; W1024-N1028 PolarHBondContact O-N 3.42Å; W1024-N1028 VanDerWaalsContact O-N 3.16Å; W1024-N1028 PolarHBondContact O-ND2 2.92Å; W1024-I1110 HydrophobicContact CZ3-CD1 4.27Å; W1024-I1140 HydrophobicContact CH2-CD1 3.98Å; W1024-I1140 HydrophobicContact CH2-CG2 3.83Å; W1024-I1140 HydrophobicContact CZ2-CG2 4.13Å; W1024-L1142 HydrophobicContact CD2-CD2 3.82Å; W1024-L1142 HydrophobicContact CE3-CD1 3.97Å; W1024-L1142 HydrophobicContact CE3-CD2 3.62Å; W1024-L1142 HydrophobicContact CE3-CG 4.45Å; W1024-L1142 HydrophobicContact CG-CD2 4.48Å; W1024-L1142 HydrophobicContact CH2-CD2 4.27Å; W1024-L1142 HydrophobicContact CZ2-CD2 4.4Å; W1024-L1142 HydrophobicContact CZ3-CD1 4.38Å; W1024-L1142 HydrophobicContact CZ3-CD2 3.88Å
1025	L	96.1	Very high	93.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-44.1	173.8	-76.4	170.4	0	0	0	111.8	K1021 I1022 Q1023 D1027 N1028 L1029 I1041 L1052 F1055 I1110	K1021-L1025 WeakPolarHBondContact O-CG 3.4Å; K1021-L1025 PolarHBondContact O-N 3.06Å; I1022-L1025 WeakPolarHBondContact O-CB 3.31Å; I1022-L1025 PolarHBondContact O-N 3.11Å; Q1023-L1025 VanDerWaalsContact C-N 3.31Å; Q1023-L1025 PolarHBondContact O-N 2.99Å; L1025-D1027 PolarHBondContact O-N 2.75Å; L1025-N1028 PolarHBondContact O-N 3.1Å; L1025-L1029 WeakPolarHBondContact O-CB 3.44Å; L1025-L1029 PolarHBondContact O-N 3.16Å; L1025-I1041 HydrophobicContact CD2-CD1 4.41Å; L1025-L1052 HydrophobicContact CD1-CD2 3.5Å; L1025-F1055 HydrophobicContact CB-CE1 3.89Å; L1025-F1055 HydrophobicContact CB-CZ 3.96Å; L1025-F1055 HydrophobicContact CD1-CE1 4.49Å; L1025-I1110 HydrophobicContact CD2-CD1 3.77Å; L1025-I1110 HydrophobicContact CD2-CG2 4.42Å
1026	N	94.3	Very high	93.5	Very high	54 Å²	54	42.6 Å²	42.6	29%	0.289	24%	0.242	S	C	.	.	H	α-helix	trans	-55.5	-40.5	175.9	-179.5	82.8	0	0	0	111.7	I1016 I1022 Q1023 P1030 F1055	I1016-N1026 HydrophobicContact CG2-CB 4.27Å; I1022-N1026 WeakPolarHBondContact O-CB 3.44Å; I1022-N1026 PolarHBondContact O-N 2.76Å; Q1023-N1026 WeakPolarHBondContact O-CB 3.45Å; Q1023-N1026 PolarHBondContact O-N 2.66Å; N1026-P1030 WeakPolarHBondContact O-CD 3.19Å; N1026-P1030 WeakPolarHBondContact O-CG 3.44Å; N1026-F1055 HydrophobicContact CB-CE2 3.98Å; N1026-F1055 HydrophobicContact CB-CZ 4.27Å
1027	D	94	Very high	93.8	Very high	73 Å²	73	43.1 Å²	43.1	39%	0.39	24%	0.244	S	C	.	.	H	α-helix	trans	-84.2	-18.4	-173.4	-61.5	-10	0	0	0	113.4	Q1023 W1024 L1025 K1031	Q1023-D1027 VanDerWaalsContact O-CG 3.22Å; Q1023-D1027 PolarHBondContact O-N 2.73Å; W1024-D1027 PolarHBondContact O-N 3.01Å; L1025-D1027 PolarHBondContact O-N 2.75Å; D1027-K1031 WeakPolarHBondContact O-CE 3.36Å; D1027-K1031 PolarHBondContact O-NZ 3.01Å
1028	N	95.1	Very high	94	Very high	36 Å²	36	43.3 Å²	43.3	19%	0.193	24%	0.235	C	C	.	.	H	α-helix	trans	-123.3	-29.8	-173	-61.8	-68.7	0	0	0	115.2	W1024 L1025 P1030 K1031 L1032	W1024-N1028 HydrophobicContact CH2-CB 4.06Å; W1024-N1028 HydrophobicContact CZ2-CB 4.01Å; W1024-N1028 HydrophobicContact CZ3-CB 4.36Å; W1024-N1028 PolarHBondContact NE1-ND2 2.97Å; W1024-N1028 WeakPolarHBondContact O-CB 3.45Å; W1024-N1028 PolarHBondContact O-N 3.42Å; W1024-N1028 VanDerWaalsContact O-N 3.16Å; W1024-N1028 PolarHBondContact O-ND2 2.92Å; L1025-N1028 PolarHBondContact O-N 3.1Å; N1028-P1030 VanDerWaalsContact C-CD 3.46Å; N1028-P1030 VanDerWaalsContact C-N 3.33Å; N1028-K1031 WeakPolarHBondContact O-CB 3.47Å; N1028-K1031 PolarHBondContact O-N 3.48Å; N1028-K1031 VanDerWaalsContact O-N 3.1Å; N1028-K1031 PolarHBondContact OD1-NZ 2.88Å; N1028-L1032 PolarHBondContact O-N 2.85Å
1029	L	94.5	Very high	94.4	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-57.6	-38.4	174.3	-164.5	81.8	0	0	0	112.7	L1025 K1031 I1033 I1039 I1041 F1055 L1056 V1089 I1110	L1025-L1029 WeakPolarHBondContact O-CB 3.44Å; L1025-L1029 PolarHBondContact O-N 3.16Å; L1029-K1031 VanDerWaalsContact C-N 3.32Å; L1029-K1031 PolarHBondContact O-N 2.91Å; L1029-I1033 HydrophobicContact CD2-CD1 4.24Å; L1029-I1033 HydrophobicContact CG-CD1 3.89Å; L1029-I1033 WeakPolarHBondContact O-CB 3.48Å; L1029-I1033 VanDerWaalsContact O-CG1 3.3Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.11Å; L1029-I1033 PolarHBondContact O-N 2.99Å; L1029-I1033 VanDerWaalsContact O-N 3.1Å; L1029-I1039 HydrophobicContact CD1-CD1 3.53Å; L1029-I1039 HydrophobicContact CD1-CG2 4.25Å; L1029-I1039 HydrophobicContact CG-CD1 4.36Å; L1029-I1041 HydrophobicContact CD1-CD1 4.33Å; L1029-F1055 HydrophobicContact CD2-CE1 4.25Å; L1029-L1056 HydrophobicContact CD2-CD2 3.62Å; L1029-V1089 HydrophobicContact CD1-CG2 4.39Å; L1029-V1089 HydrophobicContact CD2-CG2 4.34Å; L1029-I1110 HydrophobicContact CD1-CD1 4.37Å
1030	P	93.9	Very high	94.5	Very high	49 Å²	49	43.2 Å²	43.2	32%	0.318	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-34.6	174.7	-25	36.7	0	0	0	113.9	N1026 N1028 S1034	N1026-P1030 WeakPolarHBondContact O-CD 3.19Å; N1026-P1030 WeakPolarHBondContact O-CG 3.44Å; N1028-P1030 VanDerWaalsContact C-CD 3.46Å; N1028-P1030 VanDerWaalsContact C-N 3.33Å; P1030-S1034 WeakPolarHBondContact O-CB 3.33Å; P1030-S1034 PolarHBondContact O-N 3.05Å; P1030-S1034 PolarHBondContact O-OG 3.13Å
1031	K	95	Very high	94.6	Very high	103 Å²	103	43 Å²	43	45%	0.448	23%	0.232	S	C	.	.	H	α-helix	trans	-67.6	-55.4	-179.6	-58.6	174	-178.5	131.3	0	110.1	D1027 N1028 L1029 I1033 S1034 E1035	D1027-K1031 WeakPolarHBondContact O-CE 3.36Å; D1027-K1031 PolarHBondContact O-NZ 3.01Å; N1028-K1031 WeakPolarHBondContact O-CB 3.47Å; N1028-K1031 PolarHBondContact O-N 3.48Å; N1028-K1031 VanDerWaalsContact O-N 3.1Å; N1028-K1031 PolarHBondContact OD1-NZ 2.88Å; L1029-K1031 VanDerWaalsContact C-N 3.32Å; L1029-K1031 PolarHBondContact O-N 2.91Å; K1031-I1033 VanDerWaalsContact C-N 3.28Å; K1031-I1033 PolarHBondContact O-N 2.96Å; K1031-S1034 CarbonylContact O-C 3.36Å; K1031-S1034 WeakPolarHBondContact O-CA 3.49Å; K1031-S1034 WeakPolarHBondContact O-CB 3.17Å; K1031-S1034 PolarHBondContact O-N 3.05Å; K1031-S1034 PolarHBondContact O-OG 3.09Å; K1031-E1035 WeakPolarHBondContact O-CG 3.45Å; K1031-E1035 PolarHBondContact O-N 3.19Å
1032	L	94.1	Very high	94.6	Very high	27 Å²	27	43 Å²	43	14%	0.141	23%	0.232	C	C	.	.	H	α-helix	trans	-55.3	-41.8	177.9	-65.3	167.3	0	0	0	112.1	N1028 E1035 G1036 H1037 I1039 T1108	N1028-L1032 PolarHBondContact O-N 2.85Å; L1032-E1035 WeakPolarHBondContact CA-OE2 3.23Å; L1032-E1035 PolarHBondContact O-N 3.2Å; L1032-G1036 PolarHBondContact O-N 3.48Å; L1032-H1037 WeakPolarHBondContact O-CB 3.44Å; L1032-H1037 PolarHBondContact O-N 3.3Å; L1032-I1039 HydrophobicContact CB-CD1 3.68Å; L1032-I1039 HydrophobicContact CD1-CD1 4.18Å; L1032-T1108 HydrophobicContact CD1-CG2 4.31Å
1033	I	93.6	Very high	94.6	Very high	26 Å²	26	43 Å²	43	13%	0.133	23%	0.232	C	C	.	.	H	α-helix	trans	-68.6	-36.4	175.8	-68.1	170.9	0	0	0	111.7	L1029 K1031 E1035 G1036 I1039 E1088 V1089	L1029-I1033 HydrophobicContact CD2-CD1 4.24Å; L1029-I1033 HydrophobicContact CG-CD1 3.89Å; L1029-I1033 WeakPolarHBondContact O-CB 3.48Å; L1029-I1033 VanDerWaalsContact O-CG1 3.3Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.11Å; L1029-I1033 PolarHBondContact O-N 2.99Å; L1029-I1033 VanDerWaalsContact O-N 3.1Å; K1031-I1033 VanDerWaalsContact C-N 3.28Å; K1031-I1033 PolarHBondContact O-N 2.96Å; I1033-E1035 VanDerWaalsContact C-N 3.31Å; I1033-E1035 PolarHBondContact O-N 3.33Å; I1033-G1036 PolarHBondContact O-N 2.92Å; I1033-G1036 VanDerWaalsContact O-N 3.13Å; I1033-I1039 HydrophobicContact CG1-CD1 3.93Å; I1033-E1088 HydrophobicContact CD1-CB 3.95Å; I1033-E1088 HydrophobicContact CD1-CG 4.26Å; I1033-E1088 HydrophobicContact CG1-CB 4.22Å; I1033-E1088 HydrophobicContact CG1-CG 4.37Å; I1033-E1088 HydrophobicContact CG2-CG 3.91Å; I1033-V1089 HydrophobicContact CD1-CG2 4.36Å
1034	S	92.5	Very high	94.6	Very high	98 Å²	98	40.5 Å²	40.5	69%	0.685	22%	0.22	S	C	*	.	H	α-helix	trans	-70.2	-26.1	176	71.4	0	0	0	0	113.6	P1030 K1031	P1030-S1034 WeakPolarHBondContact O-CB 3.33Å; P1030-S1034 PolarHBondContact O-N 3.05Å; P1030-S1034 PolarHBondContact O-OG 3.13Å; K1031-S1034 CarbonylContact O-C 3.36Å; K1031-S1034 WeakPolarHBondContact O-CA 3.49Å; K1031-S1034 WeakPolarHBondContact O-CB 3.17Å; K1031-S1034 PolarHBondContact O-N 3.05Å; K1031-S1034 PolarHBondContact O-OG 3.09Å
1035	E	93	Very high	94.4	Very high	125 Å²	125	40 Å²	40	58%	0.584	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-9.6	171.5	-68.4	157.2	167.8	0	0	112.3	K1031 L1032 I1033 H1037	K1031-E1035 WeakPolarHBondContact O-CG 3.45Å; K1031-E1035 PolarHBondContact O-N 3.19Å; L1032-E1035 WeakPolarHBondContact CA-OE2 3.23Å; L1032-E1035 PolarHBondContact O-N 3.2Å; I1033-E1035 VanDerWaalsContact C-N 3.31Å; I1033-E1035 PolarHBondContact O-N 3.33Å; E1035-H1037 IonicContact OE2-CD2 2.83Å
1036	G	91.8	Very high	94.3	Very high	58 Å²	58	42.8 Å²	42.8	60%	0.598	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.1	6.7	176.6	0	0	0	0	0	115.1	L1032 I1033	L1032-G1036 PolarHBondContact O-N 3.48Å; I1033-G1036 PolarHBondContact O-N 2.92Å; I1033-G1036 VanDerWaalsContact O-N 3.13Å
1037	H	94.6	Very high	94.1	Very high	46 Å²	46	42.2 Å²	42.2	21%	0.213	23%	0.233	C	C	.	.			trans	-69.4	146.5	-179.6	-65.6	-56.1	0	0	0	112.6	L1032 E1035 D1107	L1032-H1037 WeakPolarHBondContact O-CB 3.44Å; L1032-H1037 PolarHBondContact O-N 3.3Å; E1035-H1037 IonicContact OE2-CD2 2.83Å; H1037-D1107 WeakPolarHBondContact CA-OD1 3.41Å; H1037-D1107 WeakPolarHBondContact CB-OD1 3.08Å; H1037-D1107 IonicContact CE1-OD2 2.75Å; H1037-D1107 IonicContact CG-OD1 3.23Å; H1037-D1107 IonicContact CG-OD2 3.5Å; H1037-D1107 IonicContact ND1-OD1 3.92Å; H1037-D1107 IonicContact ND1-OD2 2.79Å; H1037-D1107 PolarHBondContact ND1-OD2 3.45Å
1038	R	94.5	Very high	94.1	Very high	68 Å²	68	38.8 Å²	38.8	26%	0.257	21%	0.214	S	C	.	.			trans	-111.5	129.8	174.6	-76.6	-166.3	-64.2	-174.7	-2.9	109.7	F1082 N1083 S1085 I1087 G1105 A1106 D1107 T1108	R1038-F1082 HydrophobicContact CB-CZ 4.21Å; R1038-F1082 PolarHBondContact NH1-O 2.81Å; R1038-N1083 PolarHBondContact NH1-O 3.34Å; R1038-S1085 PolarHBondContact NH1-O 2.87Å; R1038-I1087 VanDerWaalsContact CD-O 3.26Å; R1038-I1087 WeakPolarHBondContact CD-O 3.22Å; R1038-G1105 PolarHBondContact NE-O 3.27Å; R1038-G1105 PolarHBondContact NH2-O 2.95Å; R1038-A1106 WeakPolarHBondContact O-CA 3.34Å; R1038-A1106 VanDerWaalsContact O-CB 3.29Å; R1038-A1106 WeakPolarHBondContact O-CB 3.47Å; R1038-D1107 PolarHBondContact N-OD1 3.38Å; R1038-D1107 PolarHBondContact O-N 2.85Å; R1038-D1107 VanDerWaalsContact O-N 3.11Å; R1038-T1108 PolarHBondContact O-N 3.02Å
1039	I	96.2	Very high	94.1	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.2	-153.1	-50.5	178.9	0	0	0	111	L1029 L1032 I1033 I1041 E1088 V1089 F1090 T1108 I1110	L1029-I1039 HydrophobicContact CD1-CD1 3.53Å; L1029-I1039 HydrophobicContact CD1-CG2 4.25Å; L1029-I1039 HydrophobicContact CG-CD1 4.36Å; L1032-I1039 HydrophobicContact CB-CD1 3.68Å; L1032-I1039 HydrophobicContact CD1-CD1 4.18Å; I1033-I1039 HydrophobicContact CG1-CD1 3.93Å; I1039-I1041 HydrophobicContact CG2-CG1 4.1Å; I1039-E1088 PolarHBondContact N-O 3.02Å; I1039-V1089 CarbonylContact O-C 3.57Å; I1039-V1089 WeakPolarHBondContact O-CA 3.33Å; I1039-F1090 PolarHBondContact O-N 3.29Å; I1039-T1108 WeakPolarHBondContact CA-O 3.3Å; I1039-T1108 HydrophobicContact CG2-CG2 4.36Å; I1039-I1110 HydrophobicContact CG2-CD1 3.67Å; I1039-I1110 HydrophobicContact CG2-CG1 3.99Å
1040	L	96.1	Very high	94	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.8	168	-52.1	-176.2	0	0	0	109.2	F1042 F1082 F1090 L1092 L1103 A1106 T1108 V1109 I1110 C1128	L1040-F1042 HydrophobicContact CB-CD2 4.28Å; L1040-F1042 HydrophobicContact CB-CE2 3.73Å; L1040-F1042 HydrophobicContact CB-CZ 4.42Å; L1040-F1042 HydrophobicContact CD1-CE2 3.97Å; L1040-F1042 HydrophobicContact CD1-CZ 4.17Å; L1040-F1082 HydrophobicContact CD2-CE1 3.81Å; L1040-F1082 HydrophobicContact CD2-CZ 3.94Å; L1040-F1090 HydrophobicContact CD2-CB 3.72Å; L1040-F1090 HydrophobicContact CD2-CD1 4.27Å; L1040-F1090 HydrophobicContact CD2-CG 4.4Å; L1040-L1092 HydrophobicContact CB-CD1 4.34Å; L1040-L1092 HydrophobicContact CD1-CD1 4.45Å; L1040-L1092 HydrophobicContact CD2-CD1 4.19Å; L1040-L1103 HydrophobicContact CD1-CB 3.91Å; L1040-L1103 HydrophobicContact CD1-CD1 3.69Å; L1040-L1103 HydrophobicContact CD1-CG 4.47Å; L1040-L1103 HydrophobicContact CD2-CB 4.39Å; L1040-L1103 HydrophobicContact CD2-CD1 4.03Å; L1040-A1106 HydrophobicContact CD1-CB 4.07Å; L1040-A1106 HydrophobicContact CD2-CB 3.58Å; L1040-A1106 HydrophobicContact CG-CB 3.5Å; L1040-A1106 VanDerWaalsContact CG-CB 3.5Å; L1040-T1108 PolarHBondContact N-O 3.26Å; L1040-V1109 HydrophobicContact CB-CG2 4.4Å; L1040-V1109 HydrophobicContact CD1-CG2 4.23Å; L1040-V1109 CarbonylContact O-C 3.45Å; L1040-V1109 WeakPolarHBondContact O-CA 3.4Å; L1040-I1110 PolarHBondContact O-N 3.19Å; L1040-C1128 HydrophobicContact CD1-CB 4.15Å
1041	I	96.7	Very high	94	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	115.1	173.6	-51.9	-178.7	0	0	0	108.9	L1025 L1029 I1039 L1052 V1089 F1090 L1091 L1092 I1110 H1112	L1025-I1041 HydrophobicContact CD2-CD1 4.41Å; L1029-I1041 HydrophobicContact CD1-CD1 4.33Å; I1039-I1041 HydrophobicContact CG2-CG1 4.1Å; I1041-L1052 HydrophobicContact CG2-CD1 4.06Å; I1041-V1089 HydrophobicContact CD1-CG1 3.67Å; I1041-V1089 HydrophobicContact CG1-CG1 3.96Å; I1041-F1090 PolarHBondContact N-O 2.62Å; I1041-L1091 HydrophobicContact CB-CD2 4.02Å; I1041-L1091 HydrophobicContact CD1-CD2 4.29Å; I1041-L1091 HydrophobicContact CG2-CD2 4.46Å; I1041-L1092 PolarHBondContact O-N 3Å; I1041-I1110 WeakPolarHBondContact CA-O 3.12Å; I1041-I1110 HydrophobicContact CG1-CB 4.34Å; I1041-I1110 HydrophobicContact CG1-CD1 4.38Å; I1041-H1112 HydrophobicContact CG2-CB 4.42Å
1042	F	96	Very high	94	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.8	179.2	-69.6	-83.2	0	0	0	112	L1040 L1092 V1109 I1110 I1111 H1112 A1124	L1040-F1042 HydrophobicContact CB-CD2 4.28Å; L1040-F1042 HydrophobicContact CB-CE2 3.73Å; L1040-F1042 HydrophobicContact CB-CZ 4.42Å; L1040-F1042 HydrophobicContact CD1-CE2 3.97Å; L1040-F1042 HydrophobicContact CD1-CZ 4.17Å; F1042-L1092 VanDerWaalsContact CA-O 3.31Å; F1042-L1092 WeakPolarHBondContact CA-O 3.05Å; F1042-L1092 HydrophobicContact CD1-CB 3.51Å; F1042-L1092 HydrophobicContact CD1-CD1 4.27Å; F1042-L1092 HydrophobicContact CE1-CB 3.5Å; F1042-L1092 VanDerWaalsContact CE1-CB 3.5Å; F1042-L1092 HydrophobicContact CE1-CD1 3.49Å; F1042-L1092 VanDerWaalsContact CE1-CD1 3.49Å; F1042-L1092 HydrophobicContact CE1-CG 4.11Å; F1042-L1092 HydrophobicContact CE2-CD1 4.2Å; F1042-L1092 HydrophobicContact CG-CB 4.31Å; F1042-L1092 HydrophobicContact CZ-CB 4.28Å; F1042-L1092 HydrophobicContact CZ-CD1 3.45Å; F1042-L1092 VanDerWaalsContact CZ-CD1 3.45Å; F1042-L1092 HydrophobicContact CZ-CG 4.5Å; F1042-V1109 HydrophobicContact CD2-CG1 3.71Å; F1042-V1109 HydrophobicContact CE2-CG1 3.77Å; F1042-I1110 PolarHBondContact N-O 3.45Å; F1042-I1111 HydrophobicContact CB-CD1 3.9Å; F1042-I1111 HydrophobicContact CD2-CD1 3.9Å; F1042-I1111 HydrophobicContact CG-CD1 4.22Å; F1042-H1112 WeakPolarHBondContact O-CB 3.49Å; F1042-H1112 PolarHBondContact O-N 2.88Å; F1042-A1124 HydrophobicContact CD1-CB 4.01Å; F1042-A1124 HydrophobicContact CD2-CB 4.23Å; F1042-A1124 HydrophobicContact CE1-CB 3.74Å; F1042-A1124 HydrophobicContact CE2-CB 3.99Å; F1042-A1124 HydrophobicContact CG-CB 4.23Å; F1042-A1124 HydrophobicContact CZ-CB 3.73Å
1043	S	95.9	Very high	94	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	152.7	168.5	179.1	0	0	0	0	111.9	F1045 L1092 S1093 T1094 D1113	S1043-F1045 PolarHBondContact OG-N 3.38Å; S1043-L1092 PolarHBondContact N-O 3.26Å; S1043-L1092 VanDerWaalsContact N-O 3.13Å; S1043-S1093 WeakPolarHBondContact O-CA 3.42Å; S1043-T1094 PolarHBondContact O-N 2.91Å; S1043-T1094 PolarHBondContact O-OG1 3.38Å; S1043-D1113 VanDerWaalsContact CA-OD1 3.23Å; S1043-D1113 WeakPolarHBondContact CA-OD1 3.5Å; S1043-D1113 WeakPolarHBondContact CB-OD1 3.27Å; S1043-D1113 PolarHBondContact OG-OD1 3.05Å
1044	Q	93.4	Very high	93.9	Very high	38 Å²	38	31 Å²	31	18%	0.178	17%	0.174	C	C	.	.	S	Bend	trans	-78.2	-22.5	172.9	-46.8	-55.1	-39.3	0	0	112.7	R943 T1094 D1113 D1115 D1121	R943-Q1044 VanDerWaalsContact NH2-CG 3.3Å; Q1044-T1094 PolarHBondContact NE2-OG1 3.33Å; Q1044-T1094 PolarHBondContact OE1-OG1 2.68Å; Q1044-D1113 WeakPolarHBondContact CG-O 3.3Å; Q1044-D1113 PolarHBondContact N-OD1 3.21Å; Q1044-D1113 PolarHBondContact NE2-O 3.02Å; Q1044-D1115 PolarHBondContact OE1-OD2 3.44Å; Q1044-D1121 PolarHBondContact NE2-OD1 2.96Å
1045	F	91.9	Very high	94	Very high	35 Å²	35	26.5 Å²	26.5	15%	0.154	14%	0.142	C	C	.	.			trans	-108.1	117	-173.5	-65.3	-77.1	0	0	0	111.6	T940 R943 K944 S1043 I1047 M1048 L1049 D1113	T940-F1045 HydrophobicContact CG2-CE1 4.03Å; T940-F1045 HydrophobicContact CG2-CZ 4.3Å; R943-F1045 HydrophobicContact CB-CE2 4.05Å; R943-F1045 HydrophobicContact CB-CZ 3.98Å; K944-F1045 HydrophobicContact CG-CE1 4.45Å; S1043-F1045 PolarHBondContact OG-N 3.38Å; F1045-I1047 HydrophobicContact CB-CG1 4.11Å; F1045-I1047 PolarHBondContact O-N 2.8Å; F1045-M1048 HydrophobicContact CB-CB 3.92Å; F1045-M1048 WeakPolarHBondContact O-CA 3.25Å; F1045-M1048 WeakPolarHBondContact O-CB 3.16Å; F1045-M1048 PolarHBondContact O-N 3.15Å; F1045-L1049 PolarHBondContact O-N 2.96Å; F1045-D1113 WeakPolarHBondContact CD2-OD2 3.43Å; F1045-D1113 VanDerWaalsContact CE2-OD2 3.26Å; F1045-D1113 WeakPolarHBondContact CE2-OD2 3.33Å
1046	V	92.7	Very high	94.1	Very high	59 Å²	59	20.6 Å²	20.6	36%	0.358	11%	0.114	S	C	.	.	H	α-helix	trans	-60.1	-35.8	175.8	-178.3	0	0	0	0	111.6	M1048 L1049 D1050 R1065 D1067	V1046-M1048 PolarHBondContact O-N 2.71Å; V1046-L1049 WeakPolarHBondContact O-CB 3.47Å; V1046-L1049 PolarHBondContact O-N 2.94Å; V1046-L1049 VanDerWaalsContact O-N 3.1Å; V1046-D1050 PolarHBondContact O-N 2.99Å; V1046-D1050 VanDerWaalsContact O-N 3.12Å; V1046-R1065 VanDerWaalsContact CG1-NH2 3.35Å; V1046-D1067 HydrophobicContact CG2-CB 4.36Å
1047	I	91	Very high	94.2	Very high	42 Å²	42	21.6 Å²	21.6	22%	0.215	10%	0.1	C	C	.	.	H	α-helix	trans	-66.4	-16.8	173.2	61.3	179.5	0	0	0	114.1	K944 L951 F1045	K944-I1047 HydrophobicContact CD-CD1 4.38Å; L951-I1047 HydrophobicContact CD2-CB 4.15Å; L951-I1047 HydrophobicContact CD2-CD1 3.77Å; L951-I1047 HydrophobicContact CD2-CG1 3.77Å; F1045-I1047 HydrophobicContact CB-CG1 4.11Å; F1045-I1047 PolarHBondContact O-N 2.8Å
1048	M	94.3	Very high	94	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-84.7	-34.9	170.1	-171.6	69.1	-137.7	0	0	111	N947 H948 L951 I1022 F1045 V1046 D1050 I1051 L1052	N947-M1048 HydrophobicContact CB-SD 3.99Å; H948-M1048 HydrophobicContact CB-CE 4.17Å; H948-M1048 HydrophobicContact CB-SD 3.96Å; L951-M1048 HydrophobicContact CD1-SD 3.95Å; I1022-M1048 HydrophobicContact CD1-CE 3.83Å; I1022-M1048 HydrophobicContact CG1-CE 4.12Å; F1045-M1048 HydrophobicContact CB-CB 3.92Å; F1045-M1048 WeakPolarHBondContact O-CA 3.25Å; F1045-M1048 WeakPolarHBondContact O-CB 3.16Å; F1045-M1048 PolarHBondContact O-N 3.15Å; V1046-M1048 PolarHBondContact O-N 2.71Å; M1048-D1050 PolarHBondContact O-N 2.68Å; M1048-I1051 HydrophobicContact CE-CB 4.16Å; M1048-I1051 HydrophobicContact CE-CG2 4.16Å; M1048-I1051 PolarHBondContact O-N 3.46Å; M1048-I1051 VanDerWaalsContact O-N 3.15Å; M1048-I1051 HydrophobicContact SD-CD1 4.44Å; M1048-L1052 HydrophobicContact CE-CD2 4.16Å; M1048-L1052 HydrophobicContact CE-CG 3.96Å; M1048-L1052 HydrophobicContact CG-CD1 4.31Å; M1048-L1052 WeakPolarHBondContact O-CG 3.45Å; M1048-L1052 PolarHBondContact O-N 3.26Å
1049	L	94.8	Very high	93.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.8	-33.4	171.7	-58.4	179.6	0	0	0	111.6	F1045 V1046 L1052 E1053 D1067 L1091	F1045-L1049 PolarHBondContact O-N 2.96Å; V1046-L1049 WeakPolarHBondContact O-CB 3.47Å; V1046-L1049 PolarHBondContact O-N 2.94Å; V1046-L1049 VanDerWaalsContact O-N 3.1Å; L1049-L1052 HydrophobicContact CD2-CD1 4.36Å; L1049-E1053 VanDerWaalsContact O-CB 3.22Å; L1049-E1053 WeakPolarHBondContact O-CB 3.44Å; L1049-E1053 PolarHBondContact O-N 2.95Å; L1049-D1067 HydrophobicContact CD1-CB 3.99Å; L1049-L1091 HydrophobicContact CD2-CB 4.37Å
1050	D	93.1	Very high	93.7	Very high	25 Å²	25	26.7 Å²	26.7	13%	0.134	13%	0.134	C	C	.	.	H	α-helix	trans	-60	-46.1	171.3	-71.5	-1.7	0	0	0	113	H993 K997 V1046 M1048 E1053 E1054 R1065	H993-D1050 WeakPolarHBondContact CE1-CB 3.32Å; H993-D1050 IonicContact CE1-OD2 3.43Å; H993-D1050 PolarHBondContact CE1-OD2 2.92Å; K997-D1050 IonicContact NZ-OD1 3.34Å; K997-D1050 PolarHBondContact NZ-OD1 2.94Å; K997-D1050 IonicContact NZ-OD2 3.17Å; K997-D1050 PolarHBondContact NZ-OD2 3.49Å; V1046-D1050 PolarHBondContact O-N 2.99Å; V1046-D1050 VanDerWaalsContact O-N 3.12Å; M1048-D1050 PolarHBondContact O-N 2.68Å; D1050-E1053 WeakPolarHBondContact O-CB 3.35Å; D1050-E1053 PolarHBondContact O-N 3.13Å; D1050-E1054 PolarHBondContact O-N 3.1Å; D1050-R1065 IonicContact OD1-CZ 2.62Å; D1050-R1065 IonicContact OD1-NH1 2.69Å; D1050-R1065 PolarHBondContact OD1-NH1 3.29Å; D1050-R1065 IonicContact OD1-NH2 2.68Å; D1050-R1065 PolarHBondContact OD1-NH2 3.27Å
1051	I	93.3	Very high	93.4	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-69.8	-39.3	-179.6	-61.4	169.8	0	0	0	110.3	H948 L951 H993 I1015 I1022 M1048 E1053 E1054 F1055	H948-I1051 HydrophobicContact CB-CD1 4.19Å; L951-I1051 HydrophobicContact CD1-CD1 4.41Å; L951-I1051 HydrophobicContact CD2-CD1 3.53Å; L951-I1051 HydrophobicContact CG-CD1 3.7Å; H993-I1051 HydrophobicContact CB-CD1 4.07Å; H993-I1051 HydrophobicContact CB-CG1 4.03Å; I1015-I1051 HydrophobicContact CG2-CG2 4.08Å; I1022-I1051 HydrophobicContact CD1-CG2 3.58Å; M1048-I1051 HydrophobicContact CE-CB 4.16Å; M1048-I1051 HydrophobicContact CE-CG2 4.16Å; M1048-I1051 PolarHBondContact O-N 3.46Å; M1048-I1051 VanDerWaalsContact O-N 3.15Å; M1048-I1051 HydrophobicContact SD-CD1 4.44Å; I1051-E1053 VanDerWaalsContact C-N 3.3Å; I1051-E1053 PolarHBondContact O-N 3.07Å; I1051-E1054 PolarHBondContact O-N 2.88Å; I1051-F1055 WeakPolarHBondContact O-CB 3.25Å; I1051-F1055 PolarHBondContact O-N 3.39Å
1052	L	95.1	Very high	93.2	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-64.4	-35.2	173.7	-69.8	169.9	0	0	0	111.9	I1022 L1025 I1041 M1048 L1049 L1056 L1091	I1022-L1052 HydrophobicContact CG1-CD2 4.47Å; L1025-L1052 HydrophobicContact CD1-CD2 3.5Å; I1041-L1052 HydrophobicContact CG2-CD1 4.06Å; M1048-L1052 HydrophobicContact CE-CD2 4.16Å; M1048-L1052 HydrophobicContact CE-CG 3.96Å; M1048-L1052 HydrophobicContact CG-CD1 4.31Å; M1048-L1052 WeakPolarHBondContact O-CG 3.45Å; M1048-L1052 PolarHBondContact O-N 3.26Å; L1049-L1052 HydrophobicContact CD2-CD1 4.36Å; L1052-L1056 WeakPolarHBondContact O-CB 3.43Å; L1052-L1056 WeakPolarHBondContact O-CD1 3.43Å; L1052-L1056 WeakPolarHBondContact O-CG 3.34Å; L1052-L1056 PolarHBondContact O-N 3Å; L1052-L1091 HydrophobicContact CB-CD1 4.32Å; L1052-L1091 HydrophobicContact CB-CD2 4.03Å; L1052-L1091 HydrophobicContact CD1-CD2 4.45Å
1053	E	94.3	Very high	93.2	Very high	29 Å²	29	37.1 Å²	37.1	14%	0.136	17%	0.174	C	C	.	.	H	α-helix	trans	-64.1	-44.2	172.8	160.7	155.8	-152.5	0	0	111.7	L1049 D1050 I1051 L1056 R1057 Y1063 R1065 L1091	L1049-E1053 VanDerWaalsContact O-CB 3.22Å; L1049-E1053 WeakPolarHBondContact O-CB 3.44Å; L1049-E1053 PolarHBondContact O-N 2.95Å; D1050-E1053 WeakPolarHBondContact O-CB 3.35Å; D1050-E1053 PolarHBondContact O-N 3.13Å; I1051-E1053 VanDerWaalsContact C-N 3.3Å; I1051-E1053 PolarHBondContact O-N 3.07Å; E1053-L1056 PolarHBondContact O-N 3.45Å; E1053-R1057 VanDerWaalsContact CD-NH2 3.32Å; E1053-R1057 WeakPolarHBondContact O-CG 3.22Å; E1053-R1057 PolarHBondContact O-N 3.39Å; E1053-R1057 IonicContact OE1-CZ 3.79Å; E1053-R1057 IonicContact OE1-NE 3.5Å; E1053-R1057 IonicContact OE1-NH2 2.73Å; E1053-R1057 PolarHBondContact OE1-NH2 2.93Å; E1053-Y1063 HydrophobicContact CB-CE2 4.27Å; E1053-Y1063 HydrophobicContact CG-CE2 3.84Å; E1053-Y1063 WeakPolarHBondContact CG-OH 3.3Å; E1053-Y1063 WeakPolarHBondContact OE1-CE2 3.38Å; E1053-Y1063 PolarHBondContact OE1-OH 3.27Å; E1053-R1065 WeakPolarHBondContact OE2-CD 3.27Å; E1053-R1065 IonicContact OE2-CZ 2.81Å; E1053-R1065 IonicContact OE2-NE 2.71Å; E1053-R1065 IonicContact OE2-NH1 3.83Å; E1053-R1065 PolarHBondContact OE2-NH1 3.18Å; E1053-L1091 HydrophobicContact CB-CD1 3.88Å
1054	E	91.6	Very high	93.2	Very high	25 Å²	25	37.6 Å²	37.6	12%	0.117	18%	0.176	C	C	.	.	H	α-helix	trans	-66.4	-41.1	175.5	-159.8	64	-171.4	0	0	112.1	Q1000 I1015 D1050 I1051 L1056 R1057 I1058	Q1000-E1054 PolarHBondContact NE2-OE1 2.85Å; I1015-E1054 HydrophobicContact CD1-CG 3.94Å; D1050-E1054 PolarHBondContact O-N 3.1Å; I1051-E1054 PolarHBondContact O-N 2.88Å; E1054-L1056 VanDerWaalsContact C-N 3.33Å; E1054-L1056 PolarHBondContact O-N 2.97Å; E1054-R1057 WeakPolarHBondContact O-CB 3.47Å; E1054-R1057 PolarHBondContact O-N 2.8Å; E1054-R1057 VanDerWaalsContact OE2-CD 3.28Å; E1054-R1057 WeakPolarHBondContact OE2-CD 3.48Å; E1054-R1057 IonicContact OE2-CZ 2.87Å; E1054-R1057 IonicContact OE2-NE 3.85Å; E1054-R1057 IonicContact OE2-NH1 2.79Å; E1054-R1057 PolarHBondContact OE2-NH1 3.21Å; E1054-I1058 HydrophobicContact CG-CD1 4.21Å; E1054-I1058 WeakPolarHBondContact O-CD1 3.33Å; E1054-I1058 VanDerWaalsContact O-CG1 3.26Å; E1054-I1058 WeakPolarHBondContact O-CG1 3.46Å; E1054-I1058 PolarHBondContact O-N 3.46Å
1055	F	94.3	Very high	93.2	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.013	18%	0.177	C	C	.	.	H	α-helix	trans	-57.1	-41.7	171.2	162.9	-108.4	0	0	0	113	I1016 I1022 L1025 N1026 L1029 I1051 I1058 T1059	I1016-F1055 HydrophobicContact CG1-CD2 4.08Å; I1016-F1055 HydrophobicContact CG1-CE2 4.49Å; I1022-F1055 HydrophobicContact CG2-CB 4.37Å; I1022-F1055 HydrophobicContact CG2-CD1 4.5Å; I1022-F1055 HydrophobicContact CG2-CD2 3.56Å; I1022-F1055 HydrophobicContact CG2-CE2 3.93Å; I1022-F1055 HydrophobicContact CG2-CG 3.88Å; L1025-F1055 HydrophobicContact CB-CE1 3.89Å; L1025-F1055 HydrophobicContact CB-CZ 3.96Å; L1025-F1055 HydrophobicContact CD1-CE1 4.49Å; N1026-F1055 HydrophobicContact CB-CE2 3.98Å; N1026-F1055 HydrophobicContact CB-CZ 4.27Å; L1029-F1055 HydrophobicContact CD2-CE1 4.25Å; I1051-F1055 WeakPolarHBondContact O-CB 3.25Å; I1051-F1055 PolarHBondContact O-N 3.39Å; F1055-I1058 PolarHBondContact O-N 3.29Å; F1055-T1059 HydrophobicContact CD2-CG2 4.03Å; F1055-T1059 HydrophobicContact CE2-CG2 3.58Å; F1055-T1059 HydrophobicContact CZ-CG2 4.1Å; F1055-T1059 WeakPolarHBondContact O-CB 3.47Å; F1055-T1059 PolarHBondContact O-N 2.83Å; F1055-T1059 PolarHBondContact O-OG1 3.03Å
1056	L	95	Very high	93.2	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-71.5	-29.9	178.1	-71.5	166.2	0	0	0	112.6	L1029 L1052 E1053 E1054 T1059 N1060 R1061 Y1063 V1089 L1091	L1029-L1056 HydrophobicContact CD2-CD2 3.62Å; L1052-L1056 WeakPolarHBondContact O-CB 3.43Å; L1052-L1056 WeakPolarHBondContact O-CD1 3.43Å; L1052-L1056 WeakPolarHBondContact O-CG 3.34Å; L1052-L1056 PolarHBondContact O-N 3Å; E1053-L1056 PolarHBondContact O-N 3.45Å; E1054-L1056 VanDerWaalsContact C-N 3.33Å; E1054-L1056 PolarHBondContact O-N 2.97Å; L1056-T1059 WeakPolarHBondContact CA-OG1 3.32Å; L1056-N1060 PolarHBondContact O-N 3.2Å; L1056-N1060 VanDerWaalsContact O-N 3.14Å; L1056-R1061 HydrophobicContact CB-CB 4.49Å; L1056-R1061 HydrophobicContact CD2-CB 3.78Å; L1056-R1061 HydrophobicContact CD2-CG 4.15Å; L1056-R1061 PolarHBondContact O-N 3Å; L1056-Y1063 HydrophobicContact CB-CD1 3.88Å; L1056-Y1063 HydrophobicContact CB-CE1 4.39Å; L1056-Y1063 HydrophobicContact CB-CG 4.36Å; L1056-Y1063 HydrophobicContact CD1-CG 4.17Å; L1056-V1089 HydrophobicContact CD1-CB 4.42Å; L1056-V1089 HydrophobicContact CD1-CG1 3.88Å; L1056-V1089 HydrophobicContact CD2-CG2 4.14Å; L1056-L1091 HydrophobicContact CD1-CD1 4.06Å; L1056-L1091 HydrophobicContact CD1-CD2 3.79Å; L1056-L1091 HydrophobicContact CD1-CG 3.99Å
1057	R	92.5	Very high	93.1	Very high	79 Å²	79	33.8 Å²	33.8	30%	0.298	15%	0.153	S	C	.	.	H	α-helix	trans	-68.2	-47.2	169.7	-66.6	165.1	-171.9	178.6	-2.8	111.4	E1053 E1054 T1059 N1060 Y1063	E1053-R1057 VanDerWaalsContact CD-NH2 3.32Å; E1053-R1057 WeakPolarHBondContact O-CG 3.22Å; E1053-R1057 PolarHBondContact O-N 3.39Å; E1053-R1057 IonicContact OE1-CZ 3.79Å; E1053-R1057 IonicContact OE1-NE 3.5Å; E1053-R1057 IonicContact OE1-NH2 2.73Å; E1053-R1057 PolarHBondContact OE1-NH2 2.93Å; E1054-R1057 WeakPolarHBondContact O-CB 3.47Å; E1054-R1057 PolarHBondContact O-N 2.8Å; E1054-R1057 VanDerWaalsContact OE2-CD 3.28Å; E1054-R1057 WeakPolarHBondContact OE2-CD 3.48Å; E1054-R1057 IonicContact OE2-CZ 2.87Å; E1054-R1057 IonicContact OE2-NE 3.85Å; E1054-R1057 IonicContact OE2-NH1 2.79Å; E1054-R1057 PolarHBondContact OE2-NH1 3.21Å; R1057-T1059 VanDerWaalsContact C-N 3.3Å; R1057-T1059 PolarHBondContact O-N 2.87Å; R1057-N1060 WeakPolarHBondContact O-CA 3.42Å; R1057-N1060 PolarHBondContact O-N 3.44Å; R1057-Y1063 HydrophobicContact CG-CE1 4.07Å; R1057-Y1063 PolarHBondContact NE-OH 3Å; R1057-Y1063 VanDerWaalsContact NE-OH 3.1Å
1058	I	91.3	Very high	92.9	Very high	56 Å²	56	34.4 Å²	34.4	29%	0.287	17%	0.17	S	C	.	.	H	α-helix	trans	-58.3	-43	177.4	-69.5	161.1	0	0	0	111	P1012 I1015 I1016 E1054 F1055 N1060	P1012-I1058 HydrophobicContact CB-CD1 3.83Å; P1012-I1058 HydrophobicContact CB-CG1 3.97Å; P1012-I1058 HydrophobicContact CB-CG2 3.8Å; P1012-I1058 HydrophobicContact CG-CG1 4.48Å; I1015-I1058 HydrophobicContact CB-CD1 4.32Å; I1015-I1058 HydrophobicContact CD1-CD1 4.06Å; I1015-I1058 HydrophobicContact CG2-CD1 4.41Å; I1016-I1058 HydrophobicContact CD1-CG2 3.89Å; E1054-I1058 HydrophobicContact CG-CD1 4.21Å; E1054-I1058 WeakPolarHBondContact O-CD1 3.33Å; E1054-I1058 VanDerWaalsContact O-CG1 3.26Å; E1054-I1058 WeakPolarHBondContact O-CG1 3.46Å; E1054-I1058 PolarHBondContact O-N 3.46Å; F1055-I1058 PolarHBondContact O-N 3.29Å; I1058-N1060 VanDerWaalsContact C-N 3.25Å; I1058-N1060 PolarHBondContact O-N 3.33Å
1059	T	91.7	Very high	92.5	Very high	36 Å²	36	39 Å²	39	22%	0.221	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	7	177.3	56.1	0	0	0	0	114.1	F1055 L1056 R1057 R1061	F1055-T1059 HydrophobicContact CD2-CG2 4.03Å; F1055-T1059 HydrophobicContact CE2-CG2 3.58Å; F1055-T1059 HydrophobicContact CZ-CG2 4.1Å; F1055-T1059 WeakPolarHBondContact O-CB 3.47Å; F1055-T1059 PolarHBondContact O-N 2.83Å; F1055-T1059 PolarHBondContact O-OG1 3.03Å; L1056-T1059 WeakPolarHBondContact CA-OG1 3.32Å; R1057-T1059 VanDerWaalsContact C-N 3.3Å; R1057-T1059 PolarHBondContact O-N 2.87Å; T1059-R1061 VanDerWaalsContact C-N 3.35Å; T1059-R1061 PolarHBondContact O-N 3.1Å; T1059-R1061 PolarHBondContact O-NE 2.75Å
1060	N	91.6	Very high	92.1	Very high	128 Å²	128	39.8 Å²	39.8	68%	0.684	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	45.3	177.3	-165.6	29.2	0	0	0	114.2	L1056 R1057 I1058	L1056-N1060 PolarHBondContact O-N 3.2Å; L1056-N1060 VanDerWaalsContact O-N 3.14Å; R1057-N1060 WeakPolarHBondContact O-CA 3.42Å; R1057-N1060 PolarHBondContact O-N 3.44Å; I1058-N1060 VanDerWaalsContact C-N 3.25Å; I1058-N1060 PolarHBondContact O-N 3.33Å
1061	R	91.4	Very high	91.7	Very high	65 Å²	65	41.8 Å²	41.8	25%	0.245	22%	0.221	C	C	.	.			trans	-99.8	146.7	-178.4	-60.2	-56.4	176.6	157.4	-3.9	112.3	L1056 T1059 Y1063	L1056-R1061 HydrophobicContact CB-CB 4.49Å; L1056-R1061 HydrophobicContact CD2-CB 3.78Å; L1056-R1061 HydrophobicContact CD2-CG 4.15Å; L1056-R1061 PolarHBondContact O-N 3Å; T1059-R1061 VanDerWaalsContact C-N 3.35Å; T1059-R1061 PolarHBondContact O-N 3.1Å; T1059-R1061 PolarHBondContact O-NE 2.75Å; R1061-Y1063 PolarHBondContact O-N 2.78Å
1062	R	92.9	Very high	90.8	Very high	105 Å²	105	46.1 Å²	46.1	40%	0.396	25%	0.247	S	C	.	.			trans	-86.9	112.1	-179.6	-66.2	178.1	-63	151.3	11	110.2	S1086 I1087 E1088 V1089	R1062-S1086 VanDerWaalsContact CZ-O 3.23Å; R1062-S1086 PolarHBondContact NH1-O 3.09Å; R1062-S1086 PolarHBondContact NH1-OG 3.46Å; R1062-S1086 PolarHBondContact NH2-O 3.47Å; R1062-I1087 WeakPolarHBondContact O-CG2 3.3Å; R1062-E1088 IonicContact CZ-OE1 3.47Å; R1062-E1088 PolarHBondContact N-OE2 3.07Å; R1062-E1088 IonicContact NE-OE1 2.74Å; R1062-E1088 PolarHBondContact NE-OE1 2.94Å; R1062-E1088 IonicContact NH2-OE1 2.74Å; R1062-E1088 PolarHBondContact NH2-OE1 3.31Å; R1062-E1088 PolarHBondContact O-N 3.26Å; R1062-V1089 PolarHBondContact O-N 3.17Å
1063	Y	95.6	Very high	90.1	Very high	50 Å²	50	51 Å²	51	20%	0.196	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	158.4	-177.3	71.5	-82.8	0	0	0	113.8	E1053 L1056 R1057 R1061 V1089 L1091	E1053-Y1063 HydrophobicContact CB-CE2 4.27Å; E1053-Y1063 HydrophobicContact CG-CE2 3.84Å; E1053-Y1063 WeakPolarHBondContact CG-OH 3.3Å; E1053-Y1063 WeakPolarHBondContact OE1-CE2 3.38Å; E1053-Y1063 PolarHBondContact OE1-OH 3.27Å; L1056-Y1063 HydrophobicContact CB-CD1 3.88Å; L1056-Y1063 HydrophobicContact CB-CE1 4.39Å; L1056-Y1063 HydrophobicContact CB-CG 4.36Å; L1056-Y1063 HydrophobicContact CD1-CG 4.17Å; R1057-Y1063 HydrophobicContact CG-CE1 4.07Å; R1057-Y1063 PolarHBondContact NE-OH 3Å; R1057-Y1063 VanDerWaalsContact NE-OH 3.1Å; R1061-Y1063 PolarHBondContact O-N 2.78Å; Y1063-V1089 CarbonylContact C-O 3.57Å; Y1063-V1089 VanDerWaalsContact CA-O 3.23Å; Y1063-V1089 WeakPolarHBondContact CA-O 3.2Å; Y1063-L1091 HydrophobicContact CD2-CD1 4.25Å
1064	I	94.9	Very high	89.6	Confident	10 Å²	10	53.9 Å²	53.9	5%	0.051	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	154.6	159.8	-72.3	171.6	0	0	0	108	L1078 R1081 F1082 I1087 V1089 F1090 L1091	I1064-L1078 HydrophobicContact CG2-CB 4.1Å; I1064-L1078 HydrophobicContact CG2-CD1 4.46Å; I1064-L1078 HydrophobicContact CG2-CD2 4.12Å; I1064-L1078 HydrophobicContact CG2-CG 4.45Å; I1064-R1081 HydrophobicContact CD1-CB 4.3Å; I1064-R1081 HydrophobicContact CD1-CG 3.9Å; I1064-F1082 HydrophobicContact CD1-CB 4.27Å; I1064-I1087 HydrophobicContact CD1-CD1 3.52Å; I1064-I1087 HydrophobicContact CD1-CG2 4.4Å; I1064-I1087 HydrophobicContact CG1-CD1 3.88Å; I1064-I1087 HydrophobicContact CG1-CG2 4.22Å; I1064-V1089 PolarHBondContact N-O 3.07Å; I1064-F1090 HydrophobicContact CB-CD2 4.15Å; I1064-F1090 HydrophobicContact CB-CE2 4.28Å; I1064-F1090 HydrophobicContact CG2-CD2 3.9Å; I1064-F1090 HydrophobicContact CG2-CE2 3.52Å; I1064-F1090 HydrophobicContact CG2-CZ 3.96Å; I1064-F1090 CarbonylContact O-C 3.46Å; I1064-F1090 WeakPolarHBondContact O-CA 3.47Å; I1064-L1091 PolarHBondContact O-N 2.94Å
1065	R	94.6	Very high	89.3	Confident	50 Å²	50	55.2 Å²	55.2	19%	0.189	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.2	174.6	177	179.5	170.2	160.4	1.1	111.2	V1046 D1050 E1053 D1067 L1091	V1046-R1065 VanDerWaalsContact CG1-NH2 3.35Å; D1050-R1065 IonicContact OD1-CZ 2.62Å; D1050-R1065 IonicContact OD1-NH1 2.69Å; D1050-R1065 PolarHBondContact OD1-NH1 3.29Å; D1050-R1065 IonicContact OD1-NH2 2.68Å; D1050-R1065 PolarHBondContact OD1-NH2 3.27Å; E1053-R1065 WeakPolarHBondContact OE2-CD 3.27Å; E1053-R1065 IonicContact OE2-CZ 2.81Å; E1053-R1065 IonicContact OE2-NE 2.71Å; E1053-R1065 IonicContact OE2-NH1 3.83Å; E1053-R1065 PolarHBondContact OE2-NH1 3.18Å; R1065-D1067 IonicContact CZ-OD2 3.07Å; R1065-D1067 IonicContact NE-OD2 2.66Å; R1065-D1067 PolarHBondContact NE-OD2 3.24Å; R1065-D1067 IonicContact NH2-OD2 3.48Å; R1065-D1067 PolarHBondContact NH2-OD2 3.34Å; R1065-L1091 CarbonylContact C-O 3.58Å; R1065-L1091 WeakPolarHBondContact CA-O 3.41Å; R1065-L1091 HydrophobicContact CB-CB 4.15Å; R1065-L1091 HydrophobicContact CG-CB 4.23Å
1066	M	91.4	Very high	88.8	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	123.9	168.2	177.8	-178.4	63.1	0	0	110.5	T1070 R1075 L1078 I1079 F1090 L1091 L1092 S1093 I1101	M1066-T1070 HydrophobicContact CG-CG2 4.18Å; M1066-R1075 HydrophobicContact CG-CG 4.15Å; M1066-R1075 HydrophobicContact SD-CB 3.6Å; M1066-R1075 VanDerWaalsContact SD-CB 3.6Å; M1066-R1075 HydrophobicContact SD-CG 3.6Å; M1066-R1075 VanDerWaalsContact SD-CG 3.6Å; M1066-L1078 HydrophobicContact CB-CD1 4.36Å; M1066-I1079 HydrophobicContact CE-CD1 4.32Å; M1066-I1079 HydrophobicContact CE-CG1 4.34Å; M1066-I1079 HydrophobicContact SD-CD1 4.39Å; M1066-F1090 HydrophobicContact CB-CE2 3.66Å; M1066-F1090 HydrophobicContact CB-CZ 4.04Å; M1066-F1090 HydrophobicContact CE-CZ 4.25Å; M1066-L1091 PolarHBondContact N-O 2.86Å; M1066-L1092 HydrophobicContact CB-CD2 4.06Å; M1066-L1092 HydrophobicContact CE-CD2 3.58Å; M1066-L1092 WeakPolarHBondContact O-CA 3.34Å; M1066-S1093 PolarHBondContact O-N 3Å; M1066-I1101 HydrophobicContact CE-CD1 3.83Å
1067	D	91.5	Very high	88.5	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.011	34%	0.341	C	S	.	.			trans	-136.4	-156.4	179.8	68.9	52.1	0	0	0	113	V1046 L1049 R1065 S1069 T1070 R1075 A1096	V1046-D1067 HydrophobicContact CG2-CB 4.36Å; L1049-D1067 HydrophobicContact CD1-CB 3.99Å; R1065-D1067 IonicContact CZ-OD2 3.07Å; R1065-D1067 IonicContact NE-OD2 2.66Å; R1065-D1067 PolarHBondContact NE-OD2 3.24Å; R1065-D1067 IonicContact NH2-OD2 3.48Å; R1065-D1067 PolarHBondContact NH2-OD2 3.34Å; D1067-S1069 VanDerWaalsContact C-N 3.31Å; D1067-S1069 WeakPolarHBondContact OD1-CB 3.34Å; D1067-S1069 PolarHBondContact OD1-N 3.37Å; D1067-S1069 PolarHBondContact OD1-OG 3.46Å; D1067-T1070 PolarHBondContact N-OG1 2.88Å; D1067-R1075 PolarHBondContact O-NH2 3.25Å; D1067-A1096 WeakPolarHBondContact O-CB 3.36Å
1068	G	85.6	Confident	88.4	Confident	55 Å²	55	59.6 Å²	59.6	57%	0.567	33%	0.33	S	S	*	.	S	Bend	trans	-67.4	-31.6	-179.1	0	0	0	0	0	113.3	R1075	G1068-R1075 PolarHBondContact O-NH2 3.2Å
1069	S	86.8	Confident	88.3	Confident	97 Å²	97	57.2 Å²	57.2	68%	0.678	32%	0.318	S	S	*	.	S	Bend	trans	-79.1	-27.7	-176.4	65.3	0	0	0	0	113.8	D1067	D1067-S1069 VanDerWaalsContact C-N 3.31Å; D1067-S1069 WeakPolarHBondContact OD1-CB 3.34Å; D1067-S1069 PolarHBondContact OD1-N 3.37Å; D1067-S1069 PolarHBondContact OD1-OG 3.46Å
1070	T	86.4	Confident	88.1	Confident	15 Å²	15	58.8 Å²	58.8	9%	0.092	33%	0.325	C	S	.	.	S	Bend	trans	-55.2	122.7	-178.8	-49.3	0	0	0	0	111.4	M1066 D1067 V1072 E1074 R1075 L1078	M1066-T1070 HydrophobicContact CG-CG2 4.18Å; D1067-T1070 PolarHBondContact N-OG1 2.88Å; T1070-V1072 PolarHBondContact O-N 3.04Å; T1070-E1074 HydrophobicContact CG2-CB 4.42Å; T1070-R1075 HydrophobicContact CG2-CG 3.94Å; T1070-R1075 VanDerWaalsContact O-CZ 3.22Å; T1070-R1075 PolarHBondContact O-NE 3.42Å; T1070-R1075 PolarHBondContact O-NH2 2.88Å; T1070-L1078 HydrophobicContact CG2-CD1 3.77Å
1071	P	83.1	Confident	88.2	Confident	67 Å²	67	59.4 Å²	59.4	44%	0.435	32%	0.318	S	S	.	.			trans	-55.1	137.5	179	-27.3	35.5	0	0	0	112.5	S1073 E1074 R1075	P1071-S1073 PolarHBondContact O-N 2.99Å; P1071-E1074 HydrophobicContact CB-CB 4.46Å; P1071-E1074 WeakPolarHBondContact O-CB 3.33Å; P1071-E1074 PolarHBondContact O-N 3.31Å; P1071-R1075 WeakPolarHBondContact O-CG 3.36Å; P1071-R1075 PolarHBondContact O-N 3.02Å
1072	V	76	Confident	88.2	Confident	93 Å²	93	56.3 Å²	56.3	56%	0.564	31%	0.306	S	S	*	.	H	α-helix	trans	-58.2	-36.6	-173.4	179.8	0	0	0	0	112.4	T1070 E1074 R1075	T1070-V1072 PolarHBondContact O-N 3.04Å; V1072-E1074 VanDerWaalsContact C-N 3.3Å; V1072-E1074 PolarHBondContact O-N 3.01Å; V1072-R1075 PolarHBondContact O-N 2.98Å
1073	S	78.7	Confident	88.1	Confident	105 Å²	105	53 Å²	53	73%	0.734	30%	0.296	S	S	*	.	H	α-helix	trans	-61.7	-31.6	175.4	44.2	0	0	0	0	114.1	P1071	P1071-S1073 PolarHBondContact O-N 2.99Å
1074	E	84.9	Confident	87.7	Confident	89 Å²	89	55.6 Å²	55.6	42%	0.416	32%	0.321	S	S	.	.	H	α-helix	trans	-82.7	-29.9	-177.3	-161.4	-167.1	163.3	0	0	112.2	T1070 P1071 V1072 Q1076 T1077 L1078	T1070-E1074 HydrophobicContact CG2-CB 4.42Å; P1071-E1074 HydrophobicContact CB-CB 4.46Å; P1071-E1074 WeakPolarHBondContact O-CB 3.33Å; P1071-E1074 PolarHBondContact O-N 3.31Å; V1072-E1074 VanDerWaalsContact C-N 3.3Å; V1072-E1074 PolarHBondContact O-N 3.01Å; E1074-Q1076 VanDerWaalsContact C-N 3.29Å; E1074-Q1076 PolarHBondContact O-N 3.31Å; E1074-T1077 WeakPolarHBondContact O-CA 3.45Å; E1074-T1077 WeakPolarHBondContact O-CB 3.48Å; E1074-T1077 PolarHBondContact O-N 2.97Å; E1074-L1078 HydrophobicContact CG-CD1 4.38Å; E1074-L1078 HydrophobicContact CG-CG 4.2Å; E1074-L1078 PolarHBondContact O-N 3.04Å
1075	R	85	Confident	87.2	Confident	52 Å²	52	56.7 Å²	56.7	20%	0.196	33%	0.33	C	S	.	.	H	α-helix	trans	-53.1	-44.3	-172.8	-65	-177.3	-169.3	-152.3	-3.2	112.8	M1066 D1067 G1068 T1070 P1071 V1072 L1078 I1079	M1066-R1075 HydrophobicContact CG-CG 4.15Å; M1066-R1075 HydrophobicContact SD-CB 3.6Å; M1066-R1075 VanDerWaalsContact SD-CB 3.6Å; M1066-R1075 HydrophobicContact SD-CG 3.6Å; M1066-R1075 VanDerWaalsContact SD-CG 3.6Å; D1067-R1075 PolarHBondContact O-NH2 3.25Å; G1068-R1075 PolarHBondContact O-NH2 3.2Å; T1070-R1075 HydrophobicContact CG2-CG 3.94Å; T1070-R1075 VanDerWaalsContact O-CZ 3.22Å; T1070-R1075 PolarHBondContact O-NE 3.42Å; T1070-R1075 PolarHBondContact O-NH2 2.88Å; P1071-R1075 WeakPolarHBondContact O-CG 3.36Å; P1071-R1075 PolarHBondContact O-N 3.02Å; V1072-R1075 PolarHBondContact O-N 2.98Å; R1075-L1078 PolarHBondContact O-N 3.49Å; R1075-I1079 VanDerWaalsContact O-CD1 3.22Å; R1075-I1079 WeakPolarHBondContact O-CD1 3.16Å; R1075-I1079 WeakPolarHBondContact O-CG1 3.48Å; R1075-I1079 PolarHBondContact O-N 3.41Å
1076	Q	83.1	Confident	86.9	Confident	69 Å²	69	58 Å²	58	32%	0.322	35%	0.347	S	S	.	.	H	α-helix	trans	-64.2	-41.7	179	-174.3	59.3	38.3	0	0	111.7	E1074 L1078 I1079 D1080	E1074-Q1076 VanDerWaalsContact C-N 3.29Å; E1074-Q1076 PolarHBondContact O-N 3.31Å; Q1076-L1078 VanDerWaalsContact C-N 3.35Å; Q1076-L1078 PolarHBondContact O-N 3.49Å; Q1076-I1079 PolarHBondContact O-N 3.19Å; Q1076-D1080 PolarHBondContact NE2-OD1 2.89Å; Q1076-D1080 PolarHBondContact NE2-OD2 3.3Å; Q1076-D1080 WeakPolarHBondContact O-CB 3.37Å; Q1076-D1080 PolarHBondContact O-N 2.96Å
1077	T	89	Confident	87	Confident	92 Å²	92	58.8 Å²	58.8	56%	0.564	35%	0.351	S	S	*	.	H	α-helix	trans	-61.7	-40.6	175.9	-49.2	0	0	0	0	111.8	E1074 R1081	E1074-T1077 WeakPolarHBondContact O-CA 3.45Å; E1074-T1077 WeakPolarHBondContact O-CB 3.48Å; E1074-T1077 PolarHBondContact O-N 2.97Å; T1077-R1081 WeakPolarHBondContact O-CB 3.32Å; T1077-R1081 PolarHBondContact O-N 3.49Å
1078	L	90.7	Very high	87.1	Confident	15 Å²	15	59.9 Å²	59.9	8%	0.079	36%	0.356	C	S	.	.	H	α-helix	trans	-66.2	-39.9	175.8	-62.3	179.5	0	0	0	112.5	I1064 M1066 T1070 E1074 R1075 Q1076 F1082 F1090	I1064-L1078 HydrophobicContact CG2-CB 4.1Å; I1064-L1078 HydrophobicContact CG2-CD1 4.46Å; I1064-L1078 HydrophobicContact CG2-CD2 4.12Å; I1064-L1078 HydrophobicContact CG2-CG 4.45Å; M1066-L1078 HydrophobicContact CB-CD1 4.36Å; T1070-L1078 HydrophobicContact CG2-CD1 3.77Å; E1074-L1078 HydrophobicContact CG-CD1 4.38Å; E1074-L1078 HydrophobicContact CG-CG 4.2Å; E1074-L1078 PolarHBondContact O-N 3.04Å; R1075-L1078 PolarHBondContact O-N 3.49Å; Q1076-L1078 VanDerWaalsContact C-N 3.35Å; Q1076-L1078 PolarHBondContact O-N 3.49Å; L1078-F1082 WeakPolarHBondContact O-CB 3.47Å; L1078-F1082 PolarHBondContact O-N 3.27Å; L1078-F1090 HydrophobicContact CB-CZ 4.46Å
1079	I	88.7	Confident	87.6	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-65.9	-48.1	177	-68.2	157.1	0	0	0	110.9	M1066 R1075 Q1076 F1082 N1083 I1101 N1102 L1103	M1066-I1079 HydrophobicContact CE-CD1 4.32Å; M1066-I1079 HydrophobicContact CE-CG1 4.34Å; M1066-I1079 HydrophobicContact SD-CD1 4.39Å; R1075-I1079 VanDerWaalsContact O-CD1 3.22Å; R1075-I1079 WeakPolarHBondContact O-CD1 3.16Å; R1075-I1079 WeakPolarHBondContact O-CG1 3.48Å; R1075-I1079 PolarHBondContact O-N 3.41Å; Q1076-I1079 PolarHBondContact O-N 3.19Å; I1079-F1082 PolarHBondContact O-N 3.35Å; I1079-N1083 PolarHBondContact O-N 2.75Å; I1079-N1083 PolarHBondContact O-ND2 2.89Å; I1079-I1101 HydrophobicContact CD1-CB 3.88Å; I1079-I1101 HydrophobicContact CD1-CG2 3.4Å; I1079-I1101 HydrophobicContact CG1-CG2 4.49Å; I1079-N1102 WeakPolarHBondContact CG2-O 3.37Å; I1079-L1103 HydrophobicContact CG1-CD2 4.38Å; I1079-L1103 HydrophobicContact CG2-CD2 4.2Å
1080	D	89.1	Confident	88.1	Confident	69 Å²	69	52.6 Å²	52.6	37%	0.369	30%	0.297	S	S	.	.	H	α-helix	trans	-68.4	-37	-179.6	-67.7	-24.2	0	0	0	110.7	Q1076 S1084	Q1076-D1080 PolarHBondContact NE2-OD1 2.89Å; Q1076-D1080 PolarHBondContact NE2-OD2 3.3Å; Q1076-D1080 WeakPolarHBondContact O-CB 3.37Å; Q1076-D1080 PolarHBondContact O-N 2.96Å; D1080-S1084 VanDerWaalsContact O-CB 3.27Å; D1080-S1084 WeakPolarHBondContact O-CB 3.2Å; D1080-S1084 PolarHBondContact O-N 3.4Å; D1080-S1084 PolarHBondContact O-OG 2.82Å
1081	R	92.1	Very high	88.5	Confident	141 Å²	141	51.9 Å²	51.9	53%	0.532	29%	0.292	S	S	.	.	H	α-helix	trans	-60.4	-46.4	170	-177.4	179.9	176	-178	-0.7	112	I1064 T1077 S1084 S1085 I1087	I1064-R1081 HydrophobicContact CD1-CB 4.3Å; I1064-R1081 HydrophobicContact CD1-CG 3.9Å; T1077-R1081 WeakPolarHBondContact O-CB 3.32Å; T1077-R1081 PolarHBondContact O-N 3.49Å; R1081-S1084 PolarHBondContact O-OG 3.4Å; R1081-S1085 WeakPolarHBondContact O-CB 3.44Å; R1081-S1085 PolarHBondContact O-N 3.49Å; R1081-S1085 PolarHBondContact O-OG 2.84Å; R1081-I1087 HydrophobicContact CG-CD1 4.4Å
1082	F	92.9	Very high	89.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.1	-45.6	178.5	179	-100.4	0	0	0	112.2	R1038 L1040 I1064 L1078 I1079 S1084 I1087 F1090 L1103 A1106	R1038-F1082 HydrophobicContact CB-CZ 4.21Å; R1038-F1082 PolarHBondContact NH1-O 2.81Å; L1040-F1082 HydrophobicContact CD2-CE1 3.81Å; L1040-F1082 HydrophobicContact CD2-CZ 3.94Å; I1064-F1082 HydrophobicContact CD1-CB 4.27Å; L1078-F1082 WeakPolarHBondContact O-CB 3.47Å; L1078-F1082 PolarHBondContact O-N 3.27Å; I1079-F1082 PolarHBondContact O-N 3.35Å; F1082-S1084 PolarHBondContact O-N 3.42Å; F1082-I1087 HydrophobicContact CD2-CB 4.36Å; F1082-I1087 HydrophobicContact CD2-CG2 4.1Å; F1082-I1087 HydrophobicContact CE2-CG2 4.42Å; F1082-F1090 HydrophobicContact CB-CD1 3.77Å; F1082-F1090 HydrophobicContact CB-CE1 3.85Å; F1082-F1090 AromaticContact CD1-CD1 3.7Å; F1082-F1090 HydrophobicContact CD1-CD1 3.7Å; F1082-F1090 HydrophobicContact CD1-CE1 4.35Å; F1082-F1090 HydrophobicContact CD2-CB 3.95Å; F1082-F1090 AromaticContact CD2-CD1 3.88Å; F1082-F1090 HydrophobicContact CD2-CD1 3.88Å; F1082-F1090 HydrophobicContact CD2-CG 4.21Å; F1082-F1090 HydrophobicContact CE1-CD1 4.26Å; F1082-F1090 HydrophobicContact CE2-CB 3.83Å; F1082-F1090 HydrophobicContact CE2-CD1 4.43Å; F1082-F1090 HydrophobicContact CG-CB 4.37Å; F1082-F1090 AromaticContact CG-CD1 3.47Å; F1082-F1090 HydrophobicContact CG-CD1 3.47Å; F1082-F1090 VanDerWaalsContact CG-CD1 3.47Å; F1082-F1090 HydrophobicContact CG-CE1 4.07Å; F1082-F1090 HydrophobicContact CG-CG 4.26Å; F1082-F1090 HydrophobicContact CZ-CB 4.15Å; F1082-L1103 HydrophobicContact CD1-CD2 4.3Å; F1082-A1106 HydrophobicContact CE1-CB 3.85Å; F1082-A1106 HydrophobicContact CZ-CB 4Å
1083	N	89.7	Confident	89.9	Confident	37 Å²	37	44.8 Å²	44.8	20%	0.198	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-40.2	179.7	-73	-49	0	0	0	112.3	R1038 I1079 N1102 G1105	R1038-N1083 PolarHBondContact NH1-O 3.34Å; I1079-N1083 PolarHBondContact O-N 2.75Å; I1079-N1083 PolarHBondContact O-ND2 2.89Å; N1083-N1102 PolarHBondContact ND2-O 3.16Å; N1083-G1105 PolarHBondContact OD1-N 3.23Å
1084	S	87.9	Confident	90.4	Very high	103 Å²	103	39.9 Å²	39.9	72%	0.72	21%	0.214	S	C	*	.	H	α-helix	trans	-85.4	-17	-176.2	60.4	0	0	0	0	115.8	D1080 R1081 F1082	D1080-S1084 VanDerWaalsContact O-CB 3.27Å; D1080-S1084 WeakPolarHBondContact O-CB 3.2Å; D1080-S1084 PolarHBondContact O-N 3.4Å; D1080-S1084 PolarHBondContact O-OG 2.82Å; R1081-S1084 PolarHBondContact O-OG 3.4Å; F1082-S1084 PolarHBondContact O-N 3.42Å
1085	S	84.4	Confident	90.3	Very high	34 Å²	34	43.3 Å²	43.3	24%	0.238	22%	0.223	C	C	.	.	S	Bend	trans	-111.7	165.1	-174.7	72	0	0	0	0	114	R1038 R1081 I1087	R1038-S1085 PolarHBondContact NH1-O 2.87Å; R1081-S1085 WeakPolarHBondContact O-CB 3.44Å; R1081-S1085 PolarHBondContact O-N 3.49Å; R1081-S1085 PolarHBondContact O-OG 2.84Å; S1085-I1087 PolarHBondContact O-N 3.28Å; S1085-I1087 WeakPolarHBondContact OG-CD1 3.41Å; S1085-I1087 WeakPolarHBondContact OG-CG1 3.26Å
1086	S	88.6	Confident	90	Very high	77 Å²	77	41.4 Å²	41.4	54%	0.538	22%	0.218	S	C	.	.			trans	-78.6	31.7	177.9	67	0	0	0	0	113.7	R1062	R1062-S1086 VanDerWaalsContact CZ-O 3.23Å; R1062-S1086 PolarHBondContact NH1-O 3.09Å; R1062-S1086 PolarHBondContact NH1-OG 3.46Å; R1062-S1086 PolarHBondContact NH2-O 3.47Å
1087	I	92.6	Very high	89.5	Confident	17 Å²	17	38.1 Å²	38.1	9%	0.087	20%	0.203	C	C	.	.			trans	-79.5	134.8	-177.4	-72.4	173.8	0	0	0	109.5	R1038 R1062 I1064 R1081 F1082 S1085	R1038-I1087 VanDerWaalsContact CD-O 3.26Å; R1038-I1087 WeakPolarHBondContact CD-O 3.22Å; R1062-I1087 WeakPolarHBondContact O-CG2 3.3Å; I1064-I1087 HydrophobicContact CD1-CD1 3.52Å; I1064-I1087 HydrophobicContact CD1-CG2 4.4Å; I1064-I1087 HydrophobicContact CG1-CD1 3.88Å; I1064-I1087 HydrophobicContact CG1-CG2 4.22Å; R1081-I1087 HydrophobicContact CG-CD1 4.4Å; F1082-I1087 HydrophobicContact CD2-CB 4.36Å; F1082-I1087 HydrophobicContact CD2-CG2 4.1Å; F1082-I1087 HydrophobicContact CE2-CG2 4.42Å; S1085-I1087 PolarHBondContact O-N 3.28Å; S1085-I1087 WeakPolarHBondContact OG-CD1 3.41Å; S1085-I1087 WeakPolarHBondContact OG-CG1 3.26Å
1088	E	94.1	Very high	88.5	Confident	25 Å²	25	34 Å²	34	12%	0.117	18%	0.178	C	C	.	.			trans	-79.9	-43.6	-168.8	-68.6	139	-134.8	0	0	112.2	I1033 I1039 R1062	I1033-E1088 HydrophobicContact CD1-CB 3.95Å; I1033-E1088 HydrophobicContact CD1-CG 4.26Å; I1033-E1088 HydrophobicContact CG1-CB 4.22Å; I1033-E1088 HydrophobicContact CG1-CG 4.37Å; I1033-E1088 HydrophobicContact CG2-CG 3.91Å; I1039-E1088 PolarHBondContact N-O 3.02Å; R1062-E1088 IonicContact CZ-OE1 3.47Å; R1062-E1088 PolarHBondContact N-OE2 3.07Å; R1062-E1088 IonicContact NE-OE1 2.74Å; R1062-E1088 PolarHBondContact NE-OE1 2.94Å; R1062-E1088 IonicContact NH2-OE1 2.74Å; R1062-E1088 PolarHBondContact NH2-OE1 3.31Å; R1062-E1088 PolarHBondContact O-N 3.26Å
1089	V	96.1	Very high	87.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.9	-168.7	-175.5	0	0	0	0	112.2	L1029 I1033 I1039 I1041 L1056 R1062 Y1063 I1064 L1091	L1029-V1089 HydrophobicContact CD1-CG2 4.39Å; L1029-V1089 HydrophobicContact CD2-CG2 4.34Å; I1033-V1089 HydrophobicContact CD1-CG2 4.36Å; I1039-V1089 CarbonylContact O-C 3.57Å; I1039-V1089 WeakPolarHBondContact O-CA 3.33Å; I1041-V1089 HydrophobicContact CD1-CG1 3.67Å; I1041-V1089 HydrophobicContact CG1-CG1 3.96Å; L1056-V1089 HydrophobicContact CD1-CB 4.42Å; L1056-V1089 HydrophobicContact CD1-CG1 3.88Å; L1056-V1089 HydrophobicContact CD2-CG2 4.14Å; R1062-V1089 PolarHBondContact O-N 3.17Å; Y1063-V1089 CarbonylContact C-O 3.57Å; Y1063-V1089 VanDerWaalsContact CA-O 3.23Å; Y1063-V1089 WeakPolarHBondContact CA-O 3.2Å; I1064-V1089 PolarHBondContact N-O 3.07Å; V1089-L1091 HydrophobicContact CG1-CD2 4.29Å
1090	F	95.9	Very high	86.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	108.4	168.5	-157.5	163.2	0	0	0	110.1	I1039 L1040 I1041 I1064 M1066 L1078 F1082 L1092 L1103	I1039-F1090 PolarHBondContact O-N 3.29Å; L1040-F1090 HydrophobicContact CD2-CB 3.72Å; L1040-F1090 HydrophobicContact CD2-CD1 4.27Å; L1040-F1090 HydrophobicContact CD2-CG 4.4Å; I1041-F1090 PolarHBondContact N-O 2.62Å; I1064-F1090 HydrophobicContact CB-CD2 4.15Å; I1064-F1090 HydrophobicContact CB-CE2 4.28Å; I1064-F1090 HydrophobicContact CG2-CD2 3.9Å; I1064-F1090 HydrophobicContact CG2-CE2 3.52Å; I1064-F1090 HydrophobicContact CG2-CZ 3.96Å; I1064-F1090 CarbonylContact O-C 3.46Å; I1064-F1090 WeakPolarHBondContact O-CA 3.47Å; M1066-F1090 HydrophobicContact CB-CE2 3.66Å; M1066-F1090 HydrophobicContact CB-CZ 4.04Å; M1066-F1090 HydrophobicContact CE-CZ 4.25Å; L1078-F1090 HydrophobicContact CB-CZ 4.46Å; F1082-F1090 HydrophobicContact CB-CD1 3.77Å; F1082-F1090 HydrophobicContact CB-CE1 3.85Å; F1082-F1090 AromaticContact CD1-CD1 3.7Å; F1082-F1090 HydrophobicContact CD1-CD1 3.7Å; F1082-F1090 HydrophobicContact CD1-CE1 4.35Å; F1082-F1090 HydrophobicContact CD2-CB 3.95Å; F1082-F1090 AromaticContact CD2-CD1 3.88Å; F1082-F1090 HydrophobicContact CD2-CD1 3.88Å; F1082-F1090 HydrophobicContact CD2-CG 4.21Å; F1082-F1090 HydrophobicContact CE1-CD1 4.26Å; F1082-F1090 HydrophobicContact CE2-CB 3.83Å; F1082-F1090 HydrophobicContact CE2-CD1 4.43Å; F1082-F1090 HydrophobicContact CG-CB 4.37Å; F1082-F1090 AromaticContact CG-CD1 3.47Å; F1082-F1090 HydrophobicContact CG-CD1 3.47Å; F1082-F1090 VanDerWaalsContact CG-CD1 3.47Å; F1082-F1090 HydrophobicContact CG-CE1 4.07Å; F1082-F1090 HydrophobicContact CG-CG 4.26Å; F1082-F1090 HydrophobicContact CZ-CB 4.15Å; F1090-L1092 HydrophobicContact CD1-CD1 4.49Å; F1090-L1092 HydrophobicContact CD2-CD1 4.49Å; F1090-L1092 HydrophobicContact CD2-CD2 3.71Å; F1090-L1092 HydrophobicContact CD2-CG 3.85Å; F1090-L1092 HydrophobicContact CE1-CD2 4.35Å; F1090-L1092 HydrophobicContact CE2-CD2 3.5Å; F1090-L1092 HydrophobicContact CE2-CG 4.19Å; F1090-L1092 HydrophobicContact CG-CD1 4.28Å; F1090-L1092 HydrophobicContact CG-CD2 4.23Å; F1090-L1092 HydrophobicContact CG-CG 4.12Å; F1090-L1092 HydrophobicContact CZ-CD2 3.87Å; F1090-L1103 HydrophobicContact CD1-CD2 3.89Å; F1090-L1103 HydrophobicContact CE1-CD2 3.63Å
1091	L	96.5	Very high	86.1	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	123.2	170.6	-63.9	-174.2	0	0	0	110.3	I1041 L1049 L1052 E1053 L1056 Y1063 I1064 R1065 M1066 V1089	I1041-L1091 HydrophobicContact CB-CD2 4.02Å; I1041-L1091 HydrophobicContact CD1-CD2 4.29Å; I1041-L1091 HydrophobicContact CG2-CD2 4.46Å; L1049-L1091 HydrophobicContact CD2-CB 4.37Å; L1052-L1091 HydrophobicContact CB-CD1 4.32Å; L1052-L1091 HydrophobicContact CB-CD2 4.03Å; L1052-L1091 HydrophobicContact CD1-CD2 4.45Å; E1053-L1091 HydrophobicContact CB-CD1 3.88Å; L1056-L1091 HydrophobicContact CD1-CD1 4.06Å; L1056-L1091 HydrophobicContact CD1-CD2 3.79Å; L1056-L1091 HydrophobicContact CD1-CG 3.99Å; Y1063-L1091 HydrophobicContact CD2-CD1 4.25Å; I1064-L1091 PolarHBondContact O-N 2.94Å; R1065-L1091 CarbonylContact C-O 3.58Å; R1065-L1091 WeakPolarHBondContact CA-O 3.41Å; R1065-L1091 HydrophobicContact CB-CB 4.15Å; R1065-L1091 HydrophobicContact CG-CB 4.23Å; M1066-L1091 PolarHBondContact N-O 2.86Å; V1089-L1091 HydrophobicContact CG1-CD2 4.29Å
1092	L	94.7	Very high	85.8	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.6	-174.9	-69	168.6	0	0	0	110.9	L1040 I1041 F1042 S1043 M1066 F1090 L1103	L1040-L1092 HydrophobicContact CB-CD1 4.34Å; L1040-L1092 HydrophobicContact CD1-CD1 4.45Å; L1040-L1092 HydrophobicContact CD2-CD1 4.19Å; I1041-L1092 PolarHBondContact O-N 3Å; F1042-L1092 VanDerWaalsContact CA-O 3.31Å; F1042-L1092 WeakPolarHBondContact CA-O 3.05Å; F1042-L1092 HydrophobicContact CD1-CB 3.51Å; F1042-L1092 HydrophobicContact CD1-CD1 4.27Å; F1042-L1092 HydrophobicContact CE1-CB 3.5Å; F1042-L1092 VanDerWaalsContact CE1-CB 3.5Å; F1042-L1092 HydrophobicContact CE1-CD1 3.49Å; F1042-L1092 VanDerWaalsContact CE1-CD1 3.49Å; F1042-L1092 HydrophobicContact CE1-CG 4.11Å; F1042-L1092 HydrophobicContact CE2-CD1 4.2Å; F1042-L1092 HydrophobicContact CG-CB 4.31Å; F1042-L1092 HydrophobicContact CZ-CB 4.28Å; F1042-L1092 HydrophobicContact CZ-CD1 3.45Å; F1042-L1092 VanDerWaalsContact CZ-CD1 3.45Å; F1042-L1092 HydrophobicContact CZ-CG 4.5Å; S1043-L1092 PolarHBondContact N-O 3.26Å; S1043-L1092 VanDerWaalsContact N-O 3.13Å; M1066-L1092 HydrophobicContact CB-CD2 4.06Å; M1066-L1092 HydrophobicContact CE-CD2 3.58Å; M1066-L1092 WeakPolarHBondContact O-CA 3.34Å; F1090-L1092 HydrophobicContact CD1-CD1 4.49Å; F1090-L1092 HydrophobicContact CD2-CD1 4.49Å; F1090-L1092 HydrophobicContact CD2-CD2 3.71Å; F1090-L1092 HydrophobicContact CD2-CG 3.85Å; F1090-L1092 HydrophobicContact CE1-CD2 4.35Å; F1090-L1092 HydrophobicContact CE2-CD2 3.5Å; F1090-L1092 HydrophobicContact CE2-CG 4.19Å; F1090-L1092 HydrophobicContact CG-CD1 4.28Å; F1090-L1092 HydrophobicContact CG-CD2 4.23Å; F1090-L1092 HydrophobicContact CG-CG 4.12Å; F1090-L1092 HydrophobicContact CZ-CD2 3.87Å; L1092-L1103 HydrophobicContact CD1-CD1 3.5Å; L1092-L1103 VanDerWaalsContact CD1-CD1 3.5Å
1093	S	93.4	Very high	85.6	Confident	10 Å²	10	30.2 Å²	30.2	7%	0.07	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	132.9	162.6	79.6	0	0	0	0	109.4	S1043 M1066 R1095 A1096 G1097	S1043-S1093 WeakPolarHBondContact O-CA 3.42Å; M1066-S1093 PolarHBondContact O-N 3Å; S1093-R1095 PolarHBondContact O-N 2.66Å; S1093-A1096 PolarHBondContact O-N 3.22Å; S1093-A1096 VanDerWaalsContact OG-CB 3.23Å; S1093-A1096 WeakPolarHBondContact OG-CB 3.28Å; S1093-A1096 PolarHBondContact OG-N 2.66Å; S1093-G1097 PolarHBondContact O-N 3.08Å
1094	T	88.7	Confident	85.5	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-54.2	-30.3	-173.2	-45.6	0	0	0	0	112.7	S1043 Q1044 G1098 N1120 A1124	S1043-T1094 PolarHBondContact O-N 2.91Å; S1043-T1094 PolarHBondContact O-OG1 3.38Å; Q1044-T1094 PolarHBondContact NE2-OG1 3.33Å; Q1044-T1094 PolarHBondContact OE1-OG1 2.68Å; T1094-G1098 VanDerWaalsContact O-CA 3.24Å; T1094-G1098 WeakPolarHBondContact O-CA 3.44Å; T1094-G1098 PolarHBondContact O-N 3.27Å; T1094-N1120 HydrophobicContact CG2-CB 4.48Å; T1094-A1124 HydrophobicContact CG2-CB 4.3Å
1095	R	82.2	Confident	85.6	Confident	161 Å²	161	25.4 Å²	25.4	61%	0.608	14%	0.142	S	C	*	.	H	α-helix	trans	-85.7	-25.1	179.7	-63.2	-177.4	-179.4	173.7	2.4	114.7	S1093 D1115	S1093-R1095 PolarHBondContact O-N 2.66Å; R1095-D1115 IonicContact CZ-OD2 2.71Å; R1095-D1115 IonicContact NE-OD2 3.14Å; R1095-D1115 PolarHBondContact NE-OD2 2.94Å; R1095-D1115 IonicContact NH2-OD1 3.5Å; R1095-D1115 IonicContact NH2-OD2 3.65Å; R1095-D1115 PolarHBondContact NH2-OD2 3.28Å; R1095-D1115 VanDerWaalsContact NH2-OD2 3.11Å
1096	A	80.3	Confident	86.1	Confident	13 Å²	13	23.9 Å²	23.9	11%	0.107	13%	0.131	C	C	.	.	H	α-helix	trans	-84.9	-44.8	173.3	0	0	0	0	0	111.2	D1067 S1093	D1067-A1096 WeakPolarHBondContact O-CB 3.36Å; S1093-A1096 PolarHBondContact O-N 3.22Å; S1093-A1096 VanDerWaalsContact OG-CB 3.23Å; S1093-A1096 WeakPolarHBondContact OG-CB 3.28Å; S1093-A1096 PolarHBondContact OG-N 2.66Å
1097	G	72.6	Confident	86.4	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-76.9	-25.5	177.9	0	0	0	0	0	114.2	S1093 L1099 I1101	S1093-G1097 PolarHBondContact O-N 3.08Å; G1097-L1099 PolarHBondContact O-N 2.73Å; G1097-L1099 VanDerWaalsContact O-N 3.14Å; G1097-I1101 VanDerWaalsContact O-CD1 3.22Å; G1097-I1101 WeakPolarHBondContact O-CD1 3.26Å; G1097-I1101 WeakPolarHBondContact O-CG1 3.16Å
1098	G	66.8	Low	86.5	Confident	4 Å²	4	19.6 Å²	19.6	4%	0.041	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-4	-176.3	0	0	0	0	0	116.1	T1094 Q1123 R1127	T1094-G1098 VanDerWaalsContact O-CA 3.24Å; T1094-G1098 WeakPolarHBondContact O-CA 3.44Å; T1094-G1098 PolarHBondContact O-N 3.27Å; G1098-Q1123 WeakPolarHBondContact O-CB 3.44Å; G1098-Q1123 PolarHBondContact O-OE1 3.33Å; G1098-R1127 VanDerWaalsContact O-CZ 3.3Å; G1098-R1127 PolarHBondContact O-NE 2.88Å; G1098-R1127 PolarHBondContact O-NH2 3.46Å
1099	L	71.7	Confident	86.6	Confident	52 Å²	52	18.4 Å²	18.4	27%	0.272	10%	0.097	S	C	.	.	S	Bend	trans	-124.4	129.6	-174	-67.6	176.2	0	0	0	113.2	G1097 I1101	G1097-L1099 PolarHBondContact O-N 2.73Å; G1097-L1099 VanDerWaalsContact O-N 3.14Å; L1099-I1101 PolarHBondContact O-N 2.82Å
1100	G	65.8	Low	86.7	Confident	14 Å²	14	18.4 Å²	18.4	14%	0.144	10%	0.097	C	C	.	.	S	Bend	trans	75.5	-45.1	169	0	0	0	0	0	117.4	T659 R1130	T659-G1100 VanDerWaalsContact CG2-CA 3.44Å; G1100-R1130 PolarHBondContact O-NH1 3.33Å; G1100-R1130 VanDerWaalsContact O-NH1 3.16Å
1101	I	81.5	Confident	86.7	Confident	22 Å²	22	18.4 Å²	18.4	11%	0.113	10%	0.097	C	C	.	.			trans	-65.5	165.7	-163.4	68.4	177.3	0	0	0	115.5	M1066 I1079 G1097 L1099 L1103 R1127 R1130	M1066-I1101 HydrophobicContact CE-CD1 3.83Å; I1079-I1101 HydrophobicContact CD1-CB 3.88Å; I1079-I1101 HydrophobicContact CD1-CG2 3.4Å; I1079-I1101 HydrophobicContact CG1-CG2 4.49Å; G1097-I1101 VanDerWaalsContact O-CD1 3.22Å; G1097-I1101 WeakPolarHBondContact O-CD1 3.26Å; G1097-I1101 WeakPolarHBondContact O-CG1 3.16Å; L1099-I1101 PolarHBondContact O-N 2.82Å; I1101-L1103 HydrophobicContact CD1-CD1 3.53Å; I1101-L1103 HydrophobicContact CD1-CD2 4.32Å; I1101-L1103 HydrophobicContact CD1-CG 3.84Å; I1101-L1103 HydrophobicContact CG1-CD1 4.26Å; I1101-L1103 HydrophobicContact CG1-CG 4.2Å; I1101-R1127 HydrophobicContact CG1-CB 4.42Å; I1101-R1127 HydrophobicContact CG1-CG 4.15Å; I1101-R1127 VanDerWaalsContact O-CD 3.25Å; I1101-R1127 WeakPolarHBondContact O-CD 3.39Å; I1101-R1130 PolarHBondContact O-NH1 3.29Å
1102	N	85.6	Confident	86.7	Confident	64 Å²	64	18.4 Å²	18.4	34%	0.342	10%	0.097	S	C	.	.			trans	-122.1	119.2	174.6	-179.9	34.4	0	0	0	110	I1079 N1083 T1104	I1079-N1102 WeakPolarHBondContact CG2-O 3.37Å; N1083-N1102 PolarHBondContact ND2-O 3.16Å; N1102-T1104 VanDerWaalsContact CG-OG1 3.28Å; N1102-T1104 PolarHBondContact ND2-OG1 3.47Å; N1102-T1104 VanDerWaalsContact ND2-OG1 3.08Å; N1102-T1104 WeakPolarHBondContact OD1-CG2 3.39Å; N1102-T1104 PolarHBondContact OD1-OG1 3.07Å
1103	L	88.5	Confident	86.7	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.			trans	-127.2	38.3	-176.9	-63.5	176.9	0	0	0	111.1	L1040 I1079 F1082 F1090 L1092 I1101 G1105 A1106 R1127 C1128	L1040-L1103 HydrophobicContact CD1-CB 3.91Å; L1040-L1103 HydrophobicContact CD1-CD1 3.69Å; L1040-L1103 HydrophobicContact CD1-CG 4.47Å; L1040-L1103 HydrophobicContact CD2-CB 4.39Å; L1040-L1103 HydrophobicContact CD2-CD1 4.03Å; I1079-L1103 HydrophobicContact CG1-CD2 4.38Å; I1079-L1103 HydrophobicContact CG2-CD2 4.2Å; F1082-L1103 HydrophobicContact CD1-CD2 4.3Å; F1090-L1103 HydrophobicContact CD1-CD2 3.89Å; F1090-L1103 HydrophobicContact CE1-CD2 3.63Å; L1092-L1103 HydrophobicContact CD1-CD1 3.5Å; L1092-L1103 VanDerWaalsContact CD1-CD1 3.5Å; I1101-L1103 HydrophobicContact CD1-CD1 3.53Å; I1101-L1103 HydrophobicContact CD1-CD2 4.32Å; I1101-L1103 HydrophobicContact CD1-CG 3.84Å; I1101-L1103 HydrophobicContact CG1-CD1 4.26Å; I1101-L1103 HydrophobicContact CG1-CG 4.2Å; L1103-G1105 PolarHBondContact O-N 3.4Å; L1103-G1105 VanDerWaalsContact O-N 3.12Å; L1103-A1106 PolarHBondContact O-N 2.89Å; L1103-A1106 VanDerWaalsContact O-N 3.1Å; L1103-R1127 CarbonylContact C-O 3.48Å; L1103-R1127 HydrophobicContact CB-CB 4.4Å; L1103-R1127 HydrophobicContact CD1-CB 4.36Å; L1103-R1127 PolarHBondContact N-O 3.21Å; L1103-C1128 WeakPolarHBondContact O-CB 3.22Å
1104	T	88.1	Confident	86.7	Confident	26 Å²	26	18 Å²	18	16%	0.16	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-4.1	178.5	30.2	0	0	0	0	114.1	N1102 C1128 R1130 Q1133	N1102-T1104 VanDerWaalsContact CG-OG1 3.28Å; N1102-T1104 PolarHBondContact ND2-OG1 3.47Å; N1102-T1104 VanDerWaalsContact ND2-OG1 3.08Å; N1102-T1104 WeakPolarHBondContact OD1-CG2 3.39Å; N1102-T1104 PolarHBondContact OD1-OG1 3.07Å; T1104-C1128 WeakPolarHBondContact CG2-O 3.37Å; T1104-R1130 HydrophobicContact CG2-CB 3.95Å; T1104-Q1133 HydrophobicContact CG2-CB 4.17Å
1105	G	90	Very high	86.8	Confident	13 Å²	13	18.2 Å²	18.2	13%	0.134	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-29	165.8	0	0	0	0	0	114.2	R1038 N1083 L1103	R1038-G1105 PolarHBondContact NE-O 3.27Å; R1038-G1105 PolarHBondContact NH2-O 2.95Å; N1083-G1105 PolarHBondContact OD1-N 3.23Å; L1103-G1105 PolarHBondContact O-N 3.4Å; L1103-G1105 VanDerWaalsContact O-N 3.12Å
1106	A	93.9	Very high	86.8	Confident	1 Å²	1	12.5 Å²	12.5	1%	0.008	8%	0.075	C	C	.	.			trans	-87.5	152.7	175.8	0	0	0	0	0	112	R1038 L1040 F1082 L1103 C1128 Q1133	R1038-A1106 WeakPolarHBondContact O-CA 3.34Å; R1038-A1106 VanDerWaalsContact O-CB 3.29Å; R1038-A1106 WeakPolarHBondContact O-CB 3.47Å; L1040-A1106 HydrophobicContact CD1-CB 4.07Å; L1040-A1106 HydrophobicContact CD2-CB 3.58Å; L1040-A1106 HydrophobicContact CG-CB 3.5Å; L1040-A1106 VanDerWaalsContact CG-CB 3.5Å; F1082-A1106 HydrophobicContact CE1-CB 3.85Å; F1082-A1106 HydrophobicContact CZ-CB 4Å; L1103-A1106 PolarHBondContact O-N 2.89Å; L1103-A1106 VanDerWaalsContact O-N 3.1Å; A1106-C1128 HydrophobicContact CB-CB 4.46Å; A1106-Q1133 PolarHBondContact O-NE2 3.17Å
1107	D	94.4	Very high	86.9	Confident	5 Å²	5	12.1 Å²	12.1	3%	0.027	7%	0.071	C	C	.	.			trans	-123.3	-26.1	174.7	54.1	2.6	0	0	0	112.6	H1037 R1038 N1135 V1137 H1138	H1037-D1107 WeakPolarHBondContact CA-OD1 3.41Å; H1037-D1107 WeakPolarHBondContact CB-OD1 3.08Å; H1037-D1107 IonicContact CE1-OD2 2.75Å; H1037-D1107 IonicContact CG-OD1 3.23Å; H1037-D1107 IonicContact CG-OD2 3.5Å; H1037-D1107 IonicContact ND1-OD1 3.92Å; H1037-D1107 IonicContact ND1-OD2 2.79Å; H1037-D1107 PolarHBondContact ND1-OD2 3.45Å; R1038-D1107 PolarHBondContact N-OD1 3.38Å; R1038-D1107 PolarHBondContact O-N 2.85Å; R1038-D1107 VanDerWaalsContact O-N 3.11Å; D1107-N1135 HydrophobicContact CB-CB 3.72Å; D1107-N1135 PolarHBondContact OD2-ND2 3.35Å; D1107-V1137 VanDerWaalsContact O-CA 3.29Å; D1107-V1137 WeakPolarHBondContact O-CA 3.42Å; D1107-H1138 PolarHBondContact O-N 2.82Å
1108	T	96.1	Very high	87.6	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.1	175	-56.1	0	0	0	0	111.9	L1032 R1038 I1039 L1040 I1110 H1138 I1140	L1032-T1108 HydrophobicContact CD1-CG2 4.31Å; R1038-T1108 PolarHBondContact O-N 3.02Å; I1039-T1108 WeakPolarHBondContact CA-O 3.3Å; I1039-T1108 HydrophobicContact CG2-CG2 4.36Å; L1040-T1108 PolarHBondContact N-O 3.26Å; T1108-I1110 HydrophobicContact CG2-CG1 4.49Å; T1108-H1138 CarbonylContact C-O 3.54Å; T1108-H1138 WeakPolarHBondContact CA-O 3.28Å; T1108-I1140 HydrophobicContact CG2-CD1 4.37Å
1109	V	96.2	Very high	88.3	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	121.5	177.5	-179.3	0	0	0	0	109.8	L1040 F1042 I1111 C1128 H1138 V1139 I1140	L1040-V1109 HydrophobicContact CB-CG2 4.4Å; L1040-V1109 HydrophobicContact CD1-CG2 4.23Å; L1040-V1109 CarbonylContact O-C 3.45Å; L1040-V1109 WeakPolarHBondContact O-CA 3.4Å; F1042-V1109 HydrophobicContact CD2-CG1 3.71Å; F1042-V1109 HydrophobicContact CE2-CG1 3.77Å; V1109-I1111 HydrophobicContact CG1-CD1 3.89Å; V1109-C1128 WeakPolarHBondContact CG2-SG 3.29Å; V1109-H1138 PolarHBondContact N-O 2.94Å; V1109-V1139 HydrophobicContact CB-CG1 4.44Å; V1109-V1139 HydrophobicContact CB-CG2 4.38Å; V1109-V1139 HydrophobicContact CG1-CG1 4.46Å; V1109-V1139 CarbonylContact O-C 3.6Å; V1109-V1139 WeakPolarHBondContact O-CA 3.45Å; V1109-I1140 PolarHBondContact O-N 2.91Å
1110	I	97.1	Very high	89	Confident	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.2	174.3	-56	174.4	0	0	0	108.4	W1024 L1025 L1029 I1039 L1040 I1041 F1042 T1108 I1140 L1142	W1024-I1110 HydrophobicContact CZ3-CD1 4.27Å; L1025-I1110 HydrophobicContact CD2-CD1 3.77Å; L1025-I1110 HydrophobicContact CD2-CG2 4.42Å; L1029-I1110 HydrophobicContact CD1-CD1 4.37Å; I1039-I1110 HydrophobicContact CG2-CD1 3.67Å; I1039-I1110 HydrophobicContact CG2-CG1 3.99Å; L1040-I1110 PolarHBondContact O-N 3.19Å; I1041-I1110 WeakPolarHBondContact CA-O 3.12Å; I1041-I1110 HydrophobicContact CG1-CB 4.34Å; I1041-I1110 HydrophobicContact CG1-CD1 4.38Å; F1042-I1110 PolarHBondContact N-O 3.45Å; T1108-I1110 HydrophobicContact CG2-CG1 4.49Å; I1110-I1140 CarbonylContact C-O 3.55Å; I1110-I1140 WeakPolarHBondContact CA-O 3.32Å; I1110-L1142 HydrophobicContact CG2-CD1 3.95Å; I1110-L1142 HydrophobicContact CG2-CG 4.09Å
1111	I	96.6	Very high	90.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	102.7	167.1	-49.8	-57.1	0	0	0	107	F1042 V1109 I1114 I1140 R1141 L1142	F1042-I1111 HydrophobicContact CB-CD1 3.9Å; F1042-I1111 HydrophobicContact CD2-CD1 3.9Å; F1042-I1111 HydrophobicContact CG-CD1 4.22Å; V1109-I1111 HydrophobicContact CG1-CD1 3.89Å; I1111-I1114 HydrophobicContact CG2-CG2 3.95Å; I1111-I1140 PolarHBondContact N-O 3.37Å; I1111-R1141 HydrophobicContact CB-CG 4.13Å; I1111-R1141 HydrophobicContact CG1-CG 4.05Å; I1111-L1142 PolarHBondContact O-N 3.44Å
1112	H	96.6	Very high	90.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	-69.7	-37.8	179.7	-174.2	-73.6	0	0	0	111.5	N947 K1021 I1041 F1042	N947-H1112 PolarHBondContact OD1-CE1 3.32Å; N947-H1112 PolarHBondContact OD1-ND1 3.31Å; K1021-H1112 PolarHBondContact NZ-O 2.98Å; I1041-H1112 HydrophobicContact CG2-CB 4.42Å; F1042-H1112 WeakPolarHBondContact O-CB 3.49Å; F1042-H1112 PolarHBondContact O-N 2.88Å
1113	D	94.9	Very high	90.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.051	C	C	.	.	S	Bend	trans	-149.8	134.8	171.7	74.1	-51.3	0	0	0	112.9	R943 N947 S1043 Q1044 F1045	R943-D1113 IonicContact CZ-OD2 3.15Å; R943-D1113 IonicContact NE-OD2 2.71Å; R943-D1113 IonicContact NH2-OD2 3.61Å; R943-D1113 PolarHBondContact NH2-OD2 3.46Å; N947-D1113 PolarHBondContact ND2-OD2 3.32Å; S1043-D1113 VanDerWaalsContact CA-OD1 3.23Å; S1043-D1113 WeakPolarHBondContact CA-OD1 3.5Å; S1043-D1113 WeakPolarHBondContact CB-OD1 3.27Å; S1043-D1113 PolarHBondContact OG-OD1 3.05Å; Q1044-D1113 WeakPolarHBondContact CG-O 3.3Å; Q1044-D1113 PolarHBondContact N-OD1 3.21Å; Q1044-D1113 PolarHBondContact NE2-O 3.02Å; F1045-D1113 WeakPolarHBondContact CD2-OD2 3.43Å; F1045-D1113 VanDerWaalsContact CE2-OD2 3.26Å; F1045-D1113 WeakPolarHBondContact CE2-OD2 3.33Å
1114	I	93.6	Very high	90.5	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.01	5%	0.051	C	C	.	.			trans	-79.1	147.6	-168.8	52.1	164.1	0	0	0	113.3	R943 I1111 D1121 I1143 M1152 L1153	R943-I1114 VanDerWaalsContact CZ-O 3.26Å; R943-I1114 PolarHBondContact NH1-O 3.25Å; R943-I1114 PolarHBondContact NH2-O 3.08Å; I1111-I1114 HydrophobicContact CG2-CG2 3.95Å; I1114-D1121 WeakPolarHBondContact CA-OD2 3.07Å; I1114-D1121 WeakPolarHBondContact CB-OD2 3.32Å; I1114-I1143 HydrophobicContact CD1-CD1 3.91Å; I1114-I1143 HydrophobicContact CG1-CD1 4.15Å; I1114-I1143 HydrophobicContact CG2-CD1 4.17Å; I1114-M1152 HydrophobicContact CD1-CB 3.83Å; I1114-M1152 HydrophobicContact CD1-CE 4.11Å; I1114-M1152 HydrophobicContact CG1-CE 3.78Å; I1114-L1153 HydrophobicContact CD1-CB 4.17Å
1115	D	90.6	Very high	90.6	Very high	6 Å²	6	8.8 Å²	8.8	3%	0.032	5%	0.046	C	C	.	.			trans	-80.3	152	168.6	-155.6	-31.5	0	0	0	110.2	Q1044 R1095 N1117 N1120 D1121	Q1044-D1115 PolarHBondContact OE1-OD2 3.44Å; R1095-D1115 IonicContact CZ-OD2 2.71Å; R1095-D1115 IonicContact NE-OD2 3.14Å; R1095-D1115 PolarHBondContact NE-OD2 2.94Å; R1095-D1115 IonicContact NH2-OD1 3.5Å; R1095-D1115 IonicContact NH2-OD2 3.65Å; R1095-D1115 PolarHBondContact NH2-OD2 3.28Å; R1095-D1115 VanDerWaalsContact NH2-OD2 3.11Å; D1115-N1117 PolarHBondContact O-N 3.49Å; D1115-N1117 PolarHBondContact OD1-N 3.02Å; D1115-N1120 HydrophobicContact CB-CB 4.1Å; D1115-N1120 PolarHBondContact OD2-ND2 2.65Å; D1115-D1121 WeakPolarHBondContact CB-OD1 3.22Å; D1115-D1121 PolarHBondContact N-OD1 2.93Å; D1115-D1121 VanDerWaalsContact N-OD1 3.13Å; D1115-D1121 PolarHBondContact N-OD2 2.65Å
1116	F	82.9	Confident	90.5	Very high	41 Å²	41	8.4 Å²	8.4	18%	0.18	4%	0.041	C	C	.	.	S	Bend	trans	-68.3	-8.6	171.5	-57.8	-83.9	0	0	0	113.2	V939 M1152 K1159 I1241 L1249	V939-F1116 HydrophobicContact CG1-CE1 4.12Å; V939-F1116 HydrophobicContact CG1-CZ 3.7Å; F1116-M1152 HydrophobicContact CD1-CE 4.06Å; F1116-M1152 HydrophobicContact CD1-CG 3.92Å; F1116-M1152 HydrophobicContact CD1-SD 4.06Å; F1116-M1152 HydrophobicContact CE1-CE 3.8Å; F1116-M1152 HydrophobicContact CE1-CG 3.62Å; F1116-M1152 HydrophobicContact CE1-SD 3.35Å; F1116-M1152 WeakPolarHBondContact CE1-SD 3.26Å; F1116-M1152 HydrophobicContact CZ-CE 4.12Å; F1116-M1152 HydrophobicContact CZ-SD 3.83Å; F1116-K1159 PolarHBondContact O-NZ 3.01Å; F1116-I1241 HydrophobicContact CB-CD1 4.26Å; F1116-I1241 HydrophobicContact CB-CG1 3.61Å; F1116-I1241 HydrophobicContact CD1-CD1 3.42Å; F1116-I1241 VanDerWaalsContact CD1-CD1 3.42Å; F1116-I1241 HydrophobicContact CD1-CG1 3.59Å; F1116-I1241 HydrophobicContact CD2-CD1 3.72Å; F1116-I1241 HydrophobicContact CD2-CG1 3.99Å; F1116-I1241 HydrophobicContact CE1-CD1 3.44Å; F1116-I1241 VanDerWaalsContact CE1-CD1 3.44Å; F1116-I1241 HydrophobicContact CE1-CG1 4.16Å; F1116-I1241 HydrophobicContact CE2-CD1 3.74Å; F1116-I1241 HydrophobicContact CG-CD1 3.55Å; F1116-I1241 HydrophobicContact CG-CG1 3.47Å; F1116-I1241 VanDerWaalsContact CG-CG1 3.47Å; F1116-I1241 HydrophobicContact CZ-CD1 3.6Å; F1116-L1249 HydrophobicContact CD1-CD1 4.25Å; F1116-L1249 HydrophobicContact CE1-CD1 4.02Å
1117	N	81.4	Confident	90.2	Very high	4 Å²	4	9 Å²	9	2%	0.021	4%	0.043	C	C	.	.	S	Bend	trans	-113.8	95.7	169.8	-170.2	56.7	0	0	0	108.3	D1115 Y1119 N1120	D1115-N1117 PolarHBondContact O-N 3.49Å; D1115-N1117 PolarHBondContact OD1-N 3.02Å; N1117-Y1119 PolarHBondContact O-N 2.94Å; N1117-N1120 PolarHBondContact ND2-OD1 2.96Å; N1117-N1120 WeakPolarHBondContact O-CB 3.33Å; N1117-N1120 PolarHBondContact O-N 3.39Å
1118	P	86.6	Confident	89.9	Confident	5 Å²	5	8.7 Å²	8.7	3%	0.032	4%	0.041	C	C	.	.	H	α-helix	trans	-60.2	-23.7	-171.7	24.9	-36.7	0	0	0	113.4	N1120 D1121 K1122 A1156 K1159 L1160	P1118-N1120 PolarHBondContact O-N 3.39Å; P1118-D1121 PolarHBondContact O-N 2.79Å; P1118-K1122 WeakPolarHBondContact O-CB 3.48Å; P1118-K1122 PolarHBondContact O-N 3.11Å; P1118-A1156 HydrophobicContact CB-CB 3.96Å; P1118-A1156 HydrophobicContact CG-CB 4.27Å; P1118-A1156 WeakPolarHBondContact CG-O 3.28Å; P1118-K1159 HydrophobicContact CG-CB 3.89Å; P1118-K1159 HydrophobicContact CG-CD 4.39Å; P1118-L1160 HydrophobicContact CB-CD1 4.03Å; P1118-L1160 HydrophobicContact CB-CD2 4.14Å; P1118-L1160 HydrophobicContact CB-CG 3.91Å; P1118-L1160 HydrophobicContact CG-CD2 4.19Å; P1118-L1160 HydrophobicContact CG-CG 3.94Å
1119	Y	83.3	Confident	89.6	Confident	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-58.2	-29	172.4	-58.2	-88.6	0	0	0	112.9	T763 Q766 N1117 K1122 Q1123 K1159 L1160 E1163	T763-Y1119 HydrophobicContact CG2-CD1 3.63Å; T763-Y1119 HydrophobicContact CG2-CE1 4.48Å; T763-Y1119 HydrophobicContact CG2-CG 4.38Å; Q766-Y1119 HydrophobicContact CB-CD2 3.86Å; Q766-Y1119 HydrophobicContact CB-CE2 3.95Å; Q766-Y1119 HydrophobicContact CB-CG 4.27Å; Q766-Y1119 HydrophobicContact CG-CD1 4.2Å; Q766-Y1119 HydrophobicContact CG-CD2 4.03Å; Q766-Y1119 HydrophobicContact CG-CE2 4.44Å; Q766-Y1119 HydrophobicContact CG-CG 3.92Å; Q766-Y1119 WeakPolarHBondContact O-CE2 3.35Å; Q766-Y1119 PolarHBondContact O-OH 2.81Å; N1117-Y1119 PolarHBondContact O-N 2.94Å; Y1119-K1122 PolarHBondContact O-N 3.39Å; Y1119-Q1123 WeakPolarHBondContact O-CB 3.25Å; Y1119-Q1123 WeakPolarHBondContact O-CG 3.39Å; Y1119-Q1123 PolarHBondContact O-N 3.13Å; Y1119-K1159 HydrophobicContact CE2-CB 4.34Å; Y1119-K1159 PolarHBondContact OH-O 3.41Å; Y1119-L1160 HydrophobicContact CE1-CD2 4.38Å; Y1119-E1163 HydrophobicContact CE1-CB 4.18Å; Y1119-E1163 HydrophobicContact CE1-CG 4.48Å; Y1119-E1163 WeakPolarHBondContact OH-CB 3.32Å
1120	N	86	Confident	89.1	Confident	42 Å²	42	12.2 Å²	12.2	23%	0.225	6%	0.055	C	C	.	.	H	α-helix	trans	-69.2	-42.9	176.4	-65.2	-0.3	0	0	0	110.9	T1094 D1115 N1117 P1118 Q1123 A1124	T1094-N1120 HydrophobicContact CG2-CB 4.48Å; D1115-N1120 HydrophobicContact CB-CB 4.1Å; D1115-N1120 PolarHBondContact OD2-ND2 2.65Å; N1117-N1120 PolarHBondContact ND2-OD1 2.96Å; N1117-N1120 WeakPolarHBondContact O-CB 3.33Å; N1117-N1120 PolarHBondContact O-N 3.39Å; P1118-N1120 PolarHBondContact O-N 3.39Å; N1120-Q1123 WeakPolarHBondContact O-CB 3.47Å; N1120-Q1123 PolarHBondContact O-N 3.19Å; N1120-A1124 PolarHBondContact O-N 2.76Å; N1120-A1124 VanDerWaalsContact O-N 3.14Å
1121	D	90.4	Very high	88.2	Confident	2 Å²	2	15.5 Å²	15.5	1%	0.011	7%	0.072	C	C	.	.	H	α-helix	trans	-68.8	-38.7	174.8	-54.9	-5.4	0	0	0	110.6	Q1044 I1114 D1115 P1118 Q1123 A1124 E1125 R1141	Q1044-D1121 PolarHBondContact NE2-OD1 2.96Å; I1114-D1121 WeakPolarHBondContact CA-OD2 3.07Å; I1114-D1121 WeakPolarHBondContact CB-OD2 3.32Å; D1115-D1121 WeakPolarHBondContact CB-OD1 3.22Å; D1115-D1121 PolarHBondContact N-OD1 2.93Å; D1115-D1121 VanDerWaalsContact N-OD1 3.13Å; D1115-D1121 PolarHBondContact N-OD2 2.65Å; P1118-D1121 PolarHBondContact O-N 2.79Å; D1121-Q1123 VanDerWaalsContact C-N 3.3Å; D1121-Q1123 PolarHBondContact O-N 2.97Å; D1121-A1124 WeakPolarHBondContact O-CA 3.47Å; D1121-A1124 WeakPolarHBondContact O-CB 3.22Å; D1121-A1124 PolarHBondContact O-N 3.08Å; D1121-E1125 PolarHBondContact O-N 3.19Å; D1121-R1141 IonicContact OD2-NH1 3.82Å; D1121-R1141 PolarHBondContact OD2-NH1 2.86Å
1122	K	86.7	Confident	87.5	Confident	46 Å²	46	18.3 Å²	18.3	20%	0.2	10%	0.101	C	C	.	.	H	α-helix	trans	-61.5	-36.6	172.4	-168.8	174.1	176.9	174.8	0	111.9	P1118 Y1119 A1124 E1125 D1126 L1160 E1163	P1118-K1122 WeakPolarHBondContact O-CB 3.48Å; P1118-K1122 PolarHBondContact O-N 3.11Å; Y1119-K1122 PolarHBondContact O-N 3.39Å; K1122-A1124 PolarHBondContact O-N 3.36Å; K1122-E1125 WeakPolarHBondContact O-CG 3.3Å; K1122-D1126 WeakPolarHBondContact O-CB 3.37Å; K1122-D1126 PolarHBondContact O-N 2.63Å; K1122-L1160 HydrophobicContact CD-CD2 4.13Å; K1122-E1163 IonicContact NZ-OE2 3.74Å; K1122-E1163 PolarHBondContact NZ-OE2 3.27Å
1123	Q	86.1	Confident	87.1	Confident	5 Å²	5	19.2 Å²	19.2	2%	0.023	11%	0.105	C	C	.	.	H	α-helix	trans	-67.7	-22.7	172.1	-68.1	-121	-10.1	0	0	112.7	M627 E734 G1098 Y1119 N1120 D1121 R1127	M627-Q1123 HydrophobicContact CE-CB 3.76Å; M627-Q1123 HydrophobicContact CE-CG 3.64Å; M627-Q1123 VanDerWaalsContact CE-OE1 3.32Å; M627-Q1123 HydrophobicContact SD-CB 4.1Å; M627-Q1123 HydrophobicContact SD-CG 3.6Å; E734-Q1123 PolarHBondContact OE2-NE2 3.31Å; G1098-Q1123 WeakPolarHBondContact O-CB 3.44Å; G1098-Q1123 PolarHBondContact O-OE1 3.33Å; Y1119-Q1123 WeakPolarHBondContact O-CB 3.25Å; Y1119-Q1123 WeakPolarHBondContact O-CG 3.39Å; Y1119-Q1123 PolarHBondContact O-N 3.13Å; N1120-Q1123 WeakPolarHBondContact O-CB 3.47Å; N1120-Q1123 PolarHBondContact O-N 3.19Å; D1121-Q1123 VanDerWaalsContact C-N 3.3Å; D1121-Q1123 PolarHBondContact O-N 2.97Å; Q1123-R1127 VanDerWaalsContact O-CG 3.31Å; Q1123-R1127 WeakPolarHBondContact O-CG 3.48Å; Q1123-R1127 PolarHBondContact O-NE 3.27Å; Q1123-R1127 VanDerWaalsContact OE1-NH2 3.11Å
1124	A	89	Confident	86.7	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-87.1	-48.2	-179	0	0	0	0	0	112.2	F1042 T1094 N1120 D1121 K1122 D1126 R1127	F1042-A1124 HydrophobicContact CD1-CB 4.01Å; F1042-A1124 HydrophobicContact CD2-CB 4.23Å; F1042-A1124 HydrophobicContact CE1-CB 3.74Å; F1042-A1124 HydrophobicContact CE2-CB 3.99Å; F1042-A1124 HydrophobicContact CG-CB 4.23Å; F1042-A1124 HydrophobicContact CZ-CB 3.73Å; T1094-A1124 HydrophobicContact CG2-CB 4.3Å; N1120-A1124 PolarHBondContact O-N 2.76Å; N1120-A1124 VanDerWaalsContact O-N 3.14Å; D1121-A1124 WeakPolarHBondContact O-CA 3.47Å; D1121-A1124 WeakPolarHBondContact O-CB 3.22Å; D1121-A1124 PolarHBondContact O-N 3.08Å; K1122-A1124 PolarHBondContact O-N 3.36Å; A1124-D1126 VanDerWaalsContact C-N 3.3Å; A1124-D1126 PolarHBondContact O-N 2.82Å; A1124-R1127 VanDerWaalsContact O-CB 3.32Å; A1124-R1127 WeakPolarHBondContact O-CB 3.46Å; A1124-R1127 WeakPolarHBondContact O-CG 3.4Å; A1124-R1127 PolarHBondContact O-N 3.03Å; A1124-R1127 VanDerWaalsContact O-N 3.09Å
1125	E	90.7	Very high	86.6	Confident	13 Å²	13	31.5 Å²	31.5	6%	0.061	16%	0.163	C	C	.	.	H	α-helix	trans	-59.2	-39.1	174.7	61.9	-173.9	-128.9	0	0	112.1	K851 D1121 K1122 R1127 C1128 H1129 V1139 R1141	K851-E1125 IonicContact NZ-OE1 2.66Å; K851-E1125 PolarHBondContact NZ-OE1 3.42Å; D1121-E1125 PolarHBondContact O-N 3.19Å; K1122-E1125 WeakPolarHBondContact O-CG 3.3Å; E1125-R1127 PolarHBondContact O-N 2.9Å; E1125-C1128 PolarHBondContact O-N 3.36Å; E1125-C1128 PolarHBondContact O-SG 2.54Å; E1125-H1129 PolarHBondContact O-N 2.85Å; E1125-V1139 HydrophobicContact CB-CG1 4.21Å; E1125-V1139 HydrophobicContact CB-CG2 3.85Å; E1125-R1141 IonicContact OE2-CZ 3.71Å; E1125-R1141 IonicContact OE2-NH2 2.93Å; E1125-R1141 PolarHBondContact OE2-NH2 3.26Å
1126	D	88.2	Confident	86.7	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.021	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	4.2	178.1	-79.9	-7.2	0	0	0	114.2	M627 K841 K851 K1122 A1124	M627-D1126 HydrophobicContact CB-CB 4.03Å; K841-D1126 IonicContact NZ-OD1 3.85Å; K841-D1126 PolarHBondContact NZ-OD1 2.95Å; K841-D1126 IonicContact NZ-OD2 2.69Å; K841-D1126 PolarHBondContact NZ-OD2 2.71Å; K851-D1126 IonicContact NZ-OD1 3.77Å; K851-D1126 PolarHBondContact NZ-OD1 2.71Å; K1122-D1126 WeakPolarHBondContact O-CB 3.37Å; K1122-D1126 PolarHBondContact O-N 2.63Å; A1124-D1126 VanDerWaalsContact C-N 3.3Å; A1124-D1126 PolarHBondContact O-N 2.82Å
1127	R	86.7	Confident	87.3	Confident	13 Å²	13	32.1 Å²	32.1	5%	0.049	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-26	168.2	-55.8	-64.2	159.8	-167.6	-2.5	112.8	G1098 I1101 L1103 Q1123 A1124 E1125	G1098-R1127 VanDerWaalsContact O-CZ 3.3Å; G1098-R1127 PolarHBondContact O-NE 2.88Å; G1098-R1127 PolarHBondContact O-NH2 3.46Å; I1101-R1127 HydrophobicContact CG1-CB 4.42Å; I1101-R1127 HydrophobicContact CG1-CG 4.15Å; I1101-R1127 VanDerWaalsContact O-CD 3.25Å; I1101-R1127 WeakPolarHBondContact O-CD 3.39Å; L1103-R1127 CarbonylContact C-O 3.48Å; L1103-R1127 HydrophobicContact CB-CB 4.4Å; L1103-R1127 HydrophobicContact CD1-CB 4.36Å; L1103-R1127 PolarHBondContact N-O 3.21Å; Q1123-R1127 VanDerWaalsContact O-CG 3.31Å; Q1123-R1127 WeakPolarHBondContact O-CG 3.48Å; Q1123-R1127 PolarHBondContact O-NE 3.27Å; Q1123-R1127 VanDerWaalsContact OE1-NH2 3.11Å; A1124-R1127 VanDerWaalsContact O-CB 3.32Å; A1124-R1127 WeakPolarHBondContact O-CB 3.46Å; A1124-R1127 WeakPolarHBondContact O-CG 3.4Å; A1124-R1127 PolarHBondContact O-N 3.03Å; A1124-R1127 VanDerWaalsContact O-N 3.09Å; E1125-R1127 PolarHBondContact O-N 2.9Å
1128	C	88.8	Confident	87.9	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-34.3	171.2	73.3	0	0	0	0	112.3	L1040 L1103 T1104 A1106 V1109 E1125 R1130 Q1133 V1137	L1040-C1128 HydrophobicContact CD1-CB 4.15Å; L1103-C1128 WeakPolarHBondContact O-CB 3.22Å; T1104-C1128 WeakPolarHBondContact CG2-O 3.37Å; A1106-C1128 HydrophobicContact CB-CB 4.46Å; V1109-C1128 WeakPolarHBondContact CG2-SG 3.29Å; E1125-C1128 PolarHBondContact O-N 3.36Å; E1125-C1128 PolarHBondContact O-SG 2.54Å; C1128-R1130 VanDerWaalsContact C-N 3.25Å; C1128-R1130 PolarHBondContact O-N 3.04Å; C1128-Q1133 PolarHBondContact O-NE2 2.81Å; C1128-Q1133 VanDerWaalsContact O-NE2 3.16Å; C1128-V1137 VanDerWaalsContact SG-CG1 3.51Å
1129	H	88.9	Confident	88.4	Confident	11 Å²	11	34.9 Å²	34.9	5%	0.051	18%	0.183	C	C	.	.	S	Bend	trans	-81.8	69.7	174	-167.1	-120.7	0	0	0	111.3	K841 P849 K851 E1125 V1137	K841-H1129 PolarHBondContact NZ-ND1 3.47Å; K841-H1129 PolarHBondContact NZ-O 3.14Å; P849-H1129 PolarHBondContact O-NE2 2.71Å; K851-H1129 HydrophobicContact CD-CB 4.01Å; E1125-H1129 PolarHBondContact O-N 2.85Å; H1129-V1137 HydrophobicContact CB-CB 4.38Å; H1129-V1137 HydrophobicContact CB-CG1 4.28Å; H1129-V1137 HydrophobicContact CB-CG2 4.11Å
1130	R	85.3	Confident	89.1	Confident	62 Å²	62	35.5 Å²	35.5	23%	0.234	19%	0.187	C	C	.	.	S	Bend	trans	-135.1	161.1	-173.3	-166.7	167	-179.9	175.1	-2.3	110.4	G1100 I1101 T1104 C1128 G1132 Q1133	G1100-R1130 PolarHBondContact O-NH1 3.33Å; G1100-R1130 VanDerWaalsContact O-NH1 3.16Å; I1101-R1130 PolarHBondContact O-NH1 3.29Å; T1104-R1130 HydrophobicContact CG2-CB 3.95Å; C1128-R1130 VanDerWaalsContact C-N 3.25Å; C1128-R1130 PolarHBondContact O-N 3.04Å; R1130-G1132 PolarHBondContact O-N 2.79Å; R1130-Q1133 VanDerWaalsContact O-CB 3.26Å; R1130-Q1133 WeakPolarHBondContact O-CB 3.22Å; R1130-Q1133 PolarHBondContact O-N 3Å
1131	L	78.7	Confident	89.6	Confident	69 Å²	69	34.8 Å²	34.8	36%	0.361	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	124.1	171.8	-73.5	170.6	0	0	0	110.4	L845	L845-L1131 HydrophobicContact CD1-CD2 3.6Å; L845-L1131 HydrophobicContact CD1-CG 4.14Å; L845-L1131 HydrophobicContact CD2-CD2 3.88Å; L845-L1131 HydrophobicContact CG-CD2 4.42Å
1132	G	82.2	Confident	89.9	Confident	60 Å²	60	34.7 Å²	34.7	62%	0.619	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	111.1	-20.1	-172	0	0	0	0	0	114.1	R1130	R1130-G1132 PolarHBondContact O-N 2.79Å
1133	Q	88.3	Confident	90.4	Very high	18 Å²	18	32.7 Å²	32.7	8%	0.084	17%	0.172	C	C	.	.			trans	-62.6	139.2	170.4	-175.8	54.4	-90.8	0	0	111.2	P849 T1104 A1106 C1128 R1130 N1135 V1137	P849-Q1133 HydrophobicContact CG-CG 4.34Å; T1104-Q1133 HydrophobicContact CG2-CB 4.17Å; A1106-Q1133 PolarHBondContact O-NE2 3.17Å; C1128-Q1133 PolarHBondContact O-NE2 2.81Å; C1128-Q1133 VanDerWaalsContact O-NE2 3.16Å; R1130-Q1133 VanDerWaalsContact O-CB 3.26Å; R1130-Q1133 WeakPolarHBondContact O-CB 3.22Å; R1130-Q1133 PolarHBondContact O-N 3Å; Q1133-N1135 VanDerWaalsContact CG-O 3.27Å; Q1133-N1135 WeakPolarHBondContact CG-O 3.46Å; Q1133-V1137 HydrophobicContact CG-CG2 3.84Å
1134	K	87.4	Confident	90.8	Very high	184 Å²	184	32.5 Å²	32.5	80%	0.8	17%	0.171	S	C	*	.			trans	-118.7	-29.9	178.1	-63.5	-176.1	-179.1	-179.2	0	113.2	P849	P849-K1134 WeakPolarHBondContact CG-O 3.4Å
1135	N	91	Very high	91	Very high	77 Å²	77	36 Å²	36	41%	0.412	19%	0.187	S	C	.	.	S	Bend	trans	-88.4	150.9	179.7	-66.1	11	0	0	0	110.2	P849 D1107 Q1133	P849-N1135 WeakPolarHBondContact CB-O 3.42Å; P849-N1135 WeakPolarHBondContact CG-O 3.5Å; D1107-N1135 HydrophobicContact CB-CB 3.72Å; D1107-N1135 PolarHBondContact OD2-ND2 3.35Å; Q1133-N1135 VanDerWaalsContact CG-O 3.27Å; Q1133-N1135 WeakPolarHBondContact CG-O 3.46Å
1136	P	92.9	Very high	90.8	Very high	60 Å²	60	36.6 Å²	36.6	39%	0.39	20%	0.196	S	C	.	.			trans	-50.1	145	160.8	-25	35.9	0	0	0	111	P850	P850-P1136 HydrophobicContact CG-CB 4.24Å
1137	V	94.2	Very high	91	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.5	-179.8	174.2	0	0	0	0	110.5	P850 K851 T852 D1107 C1128 H1129 Q1133 V1139	P850-V1137 PolarHBondContact O-N 3.45Å; K851-V1137 CarbonylContact C-O 3.55Å; K851-V1137 VanDerWaalsContact CA-O 3.31Å; K851-V1137 WeakPolarHBondContact CA-O 3.43Å; K851-V1137 HydrophobicContact CB-CB 4.37Å; K851-V1137 HydrophobicContact CD-CG1 4.44Å; K851-V1137 HydrophobicContact CG-CB 4.31Å; K851-V1137 HydrophobicContact CG-CG1 4.16Å; T852-V1137 PolarHBondContact N-O 3.06Å; D1107-V1137 VanDerWaalsContact O-CA 3.29Å; D1107-V1137 WeakPolarHBondContact O-CA 3.42Å; C1128-V1137 VanDerWaalsContact SG-CG1 3.51Å; H1129-V1137 HydrophobicContact CB-CB 4.38Å; H1129-V1137 HydrophobicContact CB-CG1 4.28Å; H1129-V1137 HydrophobicContact CB-CG2 4.11Å; Q1133-V1137 HydrophobicContact CG-CG2 3.84Å; V1137-V1139 HydrophobicContact CG1-CG2 4.12Å
1138	H	95.5	Very high	91.2	Very high	65 Å²	65	36 Å²	36	30%	0.301	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	115	-178.8	-59.2	-65	0	0	0	110.2	T852 D1107 T1108 V1109	T852-H1138 PolarHBondContact OG1-ND1 2.67Å; D1107-H1138 PolarHBondContact O-N 2.82Å; T1108-H1138 CarbonylContact C-O 3.54Å; T1108-H1138 WeakPolarHBondContact CA-O 3.28Å; V1109-H1138 PolarHBondContact N-O 2.94Å
1139	V	96.1	Very high	91.3	Very high	1 Å²	1	36 Å²	36	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	107.8	-179.4	-173.4	0	0	0	0	110	K851 T852 T853 E854 V1109 E1125 V1137 R1141	K851-V1139 HydrophobicContact CD-CG2 4.03Å; K851-V1139 HydrophobicContact CG-CG2 4.02Å; T852-V1139 PolarHBondContact O-N 3.33Å; T853-V1139 CarbonylContact C-O 3.58Å; T853-V1139 WeakPolarHBondContact CA-O 3.31Å; T853-V1139 HydrophobicContact CG2-CB 4.26Å; T853-V1139 HydrophobicContact CG2-CG1 4.32Å; E854-V1139 PolarHBondContact N-O 3.45Å; V1109-V1139 HydrophobicContact CB-CG1 4.44Å; V1109-V1139 HydrophobicContact CB-CG2 4.38Å; V1109-V1139 HydrophobicContact CG1-CG1 4.46Å; V1109-V1139 CarbonylContact O-C 3.6Å; V1109-V1139 WeakPolarHBondContact O-CA 3.45Å; E1125-V1139 HydrophobicContact CB-CG1 4.21Å; E1125-V1139 HydrophobicContact CB-CG2 3.85Å; V1137-V1139 HydrophobicContact CG1-CG2 4.12Å; V1139-R1141 HydrophobicContact CG1-CG 4.45Å
1140	I	97.1	Very high	91.5	Very high	14 Å²	14	39.4 Å²	39.4	7%	0.072	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.6	-179.2	-56.7	174.2	0	0	0	108.9	V856 W1024 T1108 V1109 I1110 I1111 L1142	V856-I1140 HydrophobicContact CB-CG2 4.39Å; V856-I1140 HydrophobicContact CG2-CG2 3.67Å; W1024-I1140 HydrophobicContact CH2-CD1 3.98Å; W1024-I1140 HydrophobicContact CH2-CG2 3.83Å; W1024-I1140 HydrophobicContact CZ2-CG2 4.13Å; T1108-I1140 HydrophobicContact CG2-CD1 4.37Å; V1109-I1140 PolarHBondContact O-N 2.91Å; I1110-I1140 CarbonylContact C-O 3.55Å; I1110-I1140 WeakPolarHBondContact CA-O 3.32Å; I1111-I1140 PolarHBondContact N-O 3.37Å; I1140-L1142 HydrophobicContact CG2-CD2 4.04Å
1141	R	97.1	Very high	91.6	Very high	27 Å²	27	37 Å²	37	10%	0.102	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	112.5	-178.8	-64.5	175.3	167.5	-86.5	-4.3	110	E854 V855 V856 I1111 D1121 E1125 V1139	E854-R1141 PolarHBondContact O-N 3.15Å; V855-R1141 HydrophobicContact CG2-CB 4.42Å; V856-R1141 PolarHBondContact N-O 3.37Å; I1111-R1141 HydrophobicContact CB-CG 4.13Å; I1111-R1141 HydrophobicContact CG1-CG 4.05Å; D1121-R1141 IonicContact OD2-NH1 3.82Å; D1121-R1141 PolarHBondContact OD2-NH1 2.86Å; E1125-R1141 IonicContact OE2-CZ 3.71Å; E1125-R1141 IonicContact OE2-NH2 2.93Å; E1125-R1141 PolarHBondContact OE2-NH2 3.26Å; V1139-R1141 HydrophobicContact CG1-CG 4.45Å
1142	L	97.3	Very high	92.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	121.8	-177.7	-55.7	-176.2	0	0	0	110.8	V856 V858 K1021 W1024 I1110 I1111 I1140	V856-L1142 HydrophobicContact CB-CD2 4.01Å; V856-L1142 HydrophobicContact CG1-CD2 4.18Å; V858-L1142 HydrophobicContact CG2-CB 4.45Å; V858-L1142 HydrophobicContact CG2-CD2 4.25Å; K1021-L1142 HydrophobicContact CB-CD1 4.35Å; K1021-L1142 HydrophobicContact CD-CB 4.2Å; K1021-L1142 HydrophobicContact CG-CB 4.44Å; K1021-L1142 PolarHBondContact NZ-O 2.94Å; W1024-L1142 HydrophobicContact CD2-CD2 3.82Å; W1024-L1142 HydrophobicContact CE3-CD1 3.97Å; W1024-L1142 HydrophobicContact CE3-CD2 3.62Å; W1024-L1142 HydrophobicContact CE3-CG 4.45Å; W1024-L1142 HydrophobicContact CG-CD2 4.48Å; W1024-L1142 HydrophobicContact CH2-CD2 4.27Å; W1024-L1142 HydrophobicContact CZ2-CD2 4.4Å; W1024-L1142 HydrophobicContact CZ3-CD1 4.38Å; W1024-L1142 HydrophobicContact CZ3-CD2 3.88Å; I1110-L1142 HydrophobicContact CG2-CD1 3.95Å; I1110-L1142 HydrophobicContact CG2-CG 4.09Å; I1111-L1142 PolarHBondContact O-N 3.44Å; I1140-L1142 HydrophobicContact CG2-CD2 4.04Å
1143	I	96.5	Very high	92.6	Very high	4 Å²	4	33 Å²	33	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.5	-179.1	-59.1	-65.3	0	0	0	108.9	V855 V856 V858 I1114 E1145 E1149 E1150 L1153	V855-I1143 HydrophobicContact CG1-CG1 3.81Å; V856-I1143 PolarHBondContact O-N 3.21Å; V858-I1143 PolarHBondContact N-O 2.98Å; I1114-I1143 HydrophobicContact CD1-CD1 3.91Å; I1114-I1143 HydrophobicContact CG1-CD1 4.15Å; I1114-I1143 HydrophobicContact CG2-CD1 4.17Å; I1143-E1145 PolarHBondContact O-N 3.02Å; I1143-E1149 HydrophobicContact CD1-CB 4.4Å; I1143-E1149 HydrophobicContact CG2-CB 3.93Å; I1143-E1150 HydrophobicContact CG2-CG 4.14Å; I1143-L1153 HydrophobicContact CD1-CB 4.44Å; I1143-L1153 HydrophobicContact CD1-CD1 4.43Å; I1143-L1153 HydrophobicContact CG1-CD2 4.35Å
1144	S	94.7	Very high	92.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	123.1	177.5	-71.5	0	0	0	0	111.8	V858 A946 K1021 T1147 E1149	V858-S1144 WeakPolarHBondContact O-CA 3.38Å; A946-S1144 PolarHBondContact O-OG 3.13Å; K1021-S1144 WeakPolarHBondContact CE-OG 3.08Å; S1144-T1147 WeakPolarHBondContact O-CB 3.46Å; S1144-T1147 WeakPolarHBondContact O-CG2 3.06Å; S1144-T1147 PolarHBondContact O-N 3.31Å; S1144-T1147 PolarHBondContact O-OG1 3.37Å; S1144-E1149 PolarHBondContact N-OE2 2.86Å
1145	E	92.7	Very high	92.3	Very high	74 Å²	74	30 Å²	30	35%	0.346	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	140.7	-179.7	-73.7	179.5	-174.7	0	0	113.2	S857 V858 T859 I1143 T1147 E1150	S857-E1145 WeakPolarHBondContact CB-OE1 3.22Å; S857-E1145 WeakPolarHBondContact OG-CG 3.49Å; S857-E1145 PolarHBondContact OG-OE1 3.24Å; V858-E1145 PolarHBondContact O-N 2.79Å; T859-E1145 VanDerWaalsContact CG2-OE2 3.25Å; T859-E1145 WeakPolarHBondContact CG2-OE2 3.5Å; I1143-E1145 PolarHBondContact O-N 3.02Å; E1145-T1147 PolarHBondContact O-N 3.25Å; E1145-E1150 WeakPolarHBondContact CA-OE1 3.47Å
1146	G	87.1	Confident	92	Very high	25 Å²	25	26.9 Å²	26.9	26%	0.258	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	15.8	179.4	0	0	0	0	0	114	E1150	G1146-E1150 PolarHBondContact N-OE1 3.32Å
1147	T	91.7	Very high	91.7	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	14%	0.136	C	C	.	.	S	Bend	trans	-111.5	172	179.6	78.2	0	0	0	0	112.5	M860 Y868 A946 S1144 E1145 E1149 E1150	M860-T1147 HydrophobicContact CE-CG2 3.56Å; M860-T1147 HydrophobicContact CG-CG2 4.35Å; M860-T1147 HydrophobicContact SD-CG2 3.58Å; M860-T1147 VanDerWaalsContact SD-CG2 3.58Å; Y868-T1147 HydrophobicContact CD2-CG2 4.28Å; Y868-T1147 HydrophobicContact CE1-CG2 4.4Å; Y868-T1147 HydrophobicContact CE2-CG2 3.88Å; Y868-T1147 WeakPolarHBondContact OH-CA 3.34Å; A946-T1147 HydrophobicContact CB-CG2 3.92Å; S1144-T1147 WeakPolarHBondContact O-CB 3.46Å; S1144-T1147 WeakPolarHBondContact O-CG2 3.06Å; S1144-T1147 PolarHBondContact O-N 3.31Å; S1144-T1147 PolarHBondContact O-OG1 3.37Å; E1145-T1147 PolarHBondContact O-N 3.25Å; T1147-E1149 PolarHBondContact O-N 3.33Å; T1147-E1149 PolarHBondContact OG1-N 3.39Å; T1147-E1150 PolarHBondContact O-N 3.46Å
1148	L	91.2	Very high	90.8	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-61.9	-13.9	175.3	83.1	152.3	0	0	0	114.5	Y868 V939 L942 R943 E1150 G1151 M1152 A1253	Y868-L1148 PolarHBondContact OH-N 3.42Å; Y868-L1148 VanDerWaalsContact OH-N 3.13Å; V939-L1148 HydrophobicContact CB-CD1 4.41Å; V939-L1148 HydrophobicContact CG1-CD1 3.76Å; V939-L1148 HydrophobicContact CG2-CD1 4.39Å; L942-L1148 HydrophobicContact CB-CD2 3.63Å; R943-L1148 HydrophobicContact CG-CD1 4.16Å; R943-L1148 HydrophobicContact CG-CD2 4.05Å; R943-L1148 HydrophobicContact CG-CG 4.41Å; L1148-E1150 PolarHBondContact O-N 3.39Å; L1148-G1151 PolarHBondContact O-N 3.12Å; L1148-M1152 HydrophobicContact CD1-CG 4.41Å; L1148-M1152 HydrophobicContact CD1-SD 3.76Å; L1148-M1152 HydrophobicContact CG-SD 3.96Å; L1148-M1152 WeakPolarHBondContact O-CG 3.47Å; L1148-M1152 PolarHBondContact O-N 2.9Å; L1148-A1253 HydrophobicContact CB-CB 3.69Å
1149	E	92.4	Very high	89.8	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.4	-30	-178.1	-65.1	-166.1	142	0	0	111.9	A946 K1021 I1143 S1144 T1147 M1152 L1153	A946-E1149 HydrophobicContact CB-CG 4.43Å; K1021-E1149 VanDerWaalsContact CE-OE2 3.32Å; K1021-E1149 WeakPolarHBondContact CE-OE2 3.34Å; K1021-E1149 IonicContact NZ-OE1 2.8Å; K1021-E1149 PolarHBondContact NZ-OE1 3.27Å; K1021-E1149 IonicContact NZ-OE2 3.36Å; K1021-E1149 PolarHBondContact NZ-OE2 3.42Å; I1143-E1149 HydrophobicContact CD1-CB 4.4Å; I1143-E1149 HydrophobicContact CG2-CB 3.93Å; S1144-E1149 PolarHBondContact N-OE2 2.86Å; T1147-E1149 PolarHBondContact O-N 3.33Å; T1147-E1149 PolarHBondContact OG1-N 3.39Å; E1149-M1152 WeakPolarHBondContact O-CB 3.2Å; E1149-M1152 PolarHBondContact O-N 3.1Å; E1149-L1153 WeakPolarHBondContact O-CB 3.4Å; E1149-L1153 PolarHBondContact O-N 3.34Å
1150	E	91.4	Very high	89	Confident	81 Å²	81	28.2 Å²	28.2	38%	0.379	15%	0.146	S	C	.	.	H	α-helix	trans	-62.5	-47.5	171.2	-63.3	174.7	-172.5	0	0	111.6	I1143 E1145 G1146 T1147 L1148 M1152 L1153 R1154	I1143-E1150 HydrophobicContact CG2-CG 4.14Å; E1145-E1150 WeakPolarHBondContact CA-OE1 3.47Å; G1146-E1150 PolarHBondContact N-OE1 3.32Å; T1147-E1150 PolarHBondContact O-N 3.46Å; L1148-E1150 PolarHBondContact O-N 3.39Å; E1150-M1152 VanDerWaalsContact C-N 3.28Å; E1150-M1152 PolarHBondContact O-N 3.15Å; E1150-L1153 WeakPolarHBondContact O-CB 3.5Å; E1150-L1153 PolarHBondContact O-N 3.3Å; E1150-R1154 PolarHBondContact O-N 3.35Å
1151	G	87.6	Confident	87.8	Confident	11 Å²	11	31.4 Å²	31.4	11%	0.113	16%	0.161	C	C	.	.	H	α-helix	trans	-63.1	-35.4	175.6	0	0	0	0	0	112.3	L1148 I1155	L1148-G1151 PolarHBondContact O-N 3.12Å; G1151-I1155 PolarHBondContact O-N 3.43Å
1152	M	90.7	Very high	86.3	Confident	5 Å²	5	31.8 Å²	31.8	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-68.4	-41.1	173	-70.5	170.1	39.3	0	0	112.1	R943 I1114 F1116 L1148 E1149 E1150 R1154 I1155 A1156 L1249	R943-M1152 HydrophobicContact CG-SD 4.12Å; I1114-M1152 HydrophobicContact CD1-CB 3.83Å; I1114-M1152 HydrophobicContact CD1-CE 4.11Å; I1114-M1152 HydrophobicContact CG1-CE 3.78Å; F1116-M1152 HydrophobicContact CD1-CE 4.06Å; F1116-M1152 HydrophobicContact CD1-CG 3.92Å; F1116-M1152 HydrophobicContact CD1-SD 4.06Å; F1116-M1152 HydrophobicContact CE1-CE 3.8Å; F1116-M1152 HydrophobicContact CE1-CG 3.62Å; F1116-M1152 HydrophobicContact CE1-SD 3.35Å; F1116-M1152 WeakPolarHBondContact CE1-SD 3.26Å; F1116-M1152 HydrophobicContact CZ-CE 4.12Å; F1116-M1152 HydrophobicContact CZ-SD 3.83Å; L1148-M1152 HydrophobicContact CD1-CG 4.41Å; L1148-M1152 HydrophobicContact CD1-SD 3.76Å; L1148-M1152 HydrophobicContact CG-SD 3.96Å; L1148-M1152 WeakPolarHBondContact O-CG 3.47Å; L1148-M1152 PolarHBondContact O-N 2.9Å; E1149-M1152 WeakPolarHBondContact O-CB 3.2Å; E1149-M1152 PolarHBondContact O-N 3.1Å; E1150-M1152 VanDerWaalsContact C-N 3.28Å; E1150-M1152 PolarHBondContact O-N 3.15Å; M1152-R1154 VanDerWaalsContact C-N 3.32Å; M1152-R1154 PolarHBondContact O-N 3.3Å; M1152-I1155 PolarHBondContact O-N 2.93Å; M1152-A1156 VanDerWaalsContact O-CB 3.26Å; M1152-A1156 WeakPolarHBondContact O-CB 3.43Å; M1152-A1156 PolarHBondContact O-N 3.06Å; M1152-L1249 HydrophobicContact CG-CD1 3.86Å; M1152-L1249 HydrophobicContact CG-CD2 4.12Å
1153	L	91.2	Very high	84.8	Confident	41 Å²	41	32 Å²	32	22%	0.215	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-38.7	175.6	-178.2	73.4	0	0	0	111.3	V855 I1114 I1143 E1149 E1150 A1156 S1157	V855-L1153 HydrophobicContact CG1-CD2 3.81Å; V855-L1153 HydrophobicContact CG2-CD1 4.48Å; I1114-L1153 HydrophobicContact CD1-CB 4.17Å; I1143-L1153 HydrophobicContact CD1-CB 4.44Å; I1143-L1153 HydrophobicContact CD1-CD1 4.43Å; I1143-L1153 HydrophobicContact CG1-CD2 4.35Å; E1149-L1153 WeakPolarHBondContact O-CB 3.4Å; E1149-L1153 PolarHBondContact O-N 3.34Å; E1150-L1153 WeakPolarHBondContact O-CB 3.5Å; E1150-L1153 PolarHBondContact O-N 3.3Å; L1153-A1156 WeakPolarHBondContact O-CB 3.23Å; L1153-A1156 PolarHBondContact O-N 2.93Å; L1153-S1157 WeakPolarHBondContact O-CB 3.28Å; L1153-S1157 PolarHBondContact O-N 3.09Å; L1153-S1157 PolarHBondContact O-OG 3.2Å
1154	R	87.2	Confident	83.6	Confident	123 Å²	123	36.4 Å²	36.4	46%	0.464	19%	0.185	S	C	.	.	H	α-helix	trans	-57.2	-57.4	172.9	-166.2	178	70.1	-147.4	-1.5	110.5	E1150 M1152 A1156 S1157 E1158 D1252	E1150-R1154 PolarHBondContact O-N 3.35Å; M1152-R1154 VanDerWaalsContact C-N 3.32Å; M1152-R1154 PolarHBondContact O-N 3.3Å; R1154-A1156 VanDerWaalsContact C-N 3.28Å; R1154-A1156 PolarHBondContact O-N 3.29Å; R1154-S1157 WeakPolarHBondContact O-CB 3.42Å; R1154-S1157 PolarHBondContact O-N 3.26Å; R1154-S1157 VanDerWaalsContact O-N 3.08Å; R1154-E1158 VanDerWaalsContact O-CG 3.31Å; R1154-E1158 WeakPolarHBondContact O-CG 3.33Å; R1154-E1158 PolarHBondContact O-N 3.09Å; R1154-D1252 IonicContact CZ-OD2 2.73Å; R1154-D1252 IonicContact NH1-OD2 2.71Å; R1154-D1252 IonicContact NH2-OD2 2.66Å; R1154-D1252 PolarHBondContact NH2-OD2 3.48Å
1155	I	83	Confident	82.1	Confident	17 Å²	17	40 Å²	40	9%	0.087	21%	0.205	C	C	.	.	H	α-helix	trans	-60.5	-34.6	177.5	-68.1	176.7	0	0	0	112.5	G1151 M1152 K1159 I1236 D1245 L1249	G1151-I1155 PolarHBondContact O-N 3.43Å; M1152-I1155 PolarHBondContact O-N 2.93Å; I1155-K1159 HydrophobicContact CG2-CD 4.43Å; I1155-K1159 VanDerWaalsContact O-CG 3.31Å; I1155-K1159 WeakPolarHBondContact O-CG 3.49Å; I1155-K1159 PolarHBondContact O-N 2.85Å; I1155-K1159 VanDerWaalsContact O-N 3.13Å; I1155-I1236 HydrophobicContact CG1-CD1 4.37Å; I1155-I1236 HydrophobicContact CG2-CD1 3.76Å; I1155-D1245 HydrophobicContact CD1-CB 4.1Å; I1155-L1249 HydrophobicContact CD1-CD1 4.16Å; I1155-L1249 HydrophobicContact CD1-CD2 3.84Å; I1155-L1249 HydrophobicContact CD1-CG 3.86Å
1156	A	85.5	Confident	80.6	Confident	10 Å²	10	37.4 Å²	37.4	8%	0.083	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-43.9	174.2	0	0	0	0	0	112	P1118 M1152 L1153 R1154 K1159 L1160	P1118-A1156 HydrophobicContact CB-CB 3.96Å; P1118-A1156 HydrophobicContact CG-CB 4.27Å; P1118-A1156 WeakPolarHBondContact CG-O 3.28Å; M1152-A1156 VanDerWaalsContact O-CB 3.26Å; M1152-A1156 WeakPolarHBondContact O-CB 3.43Å; M1152-A1156 PolarHBondContact O-N 3.06Å; L1153-A1156 WeakPolarHBondContact O-CB 3.23Å; L1153-A1156 PolarHBondContact O-N 2.93Å; R1154-A1156 VanDerWaalsContact C-N 3.28Å; R1154-A1156 PolarHBondContact O-N 3.29Å; A1156-K1159 PolarHBondContact O-N 3.27Å; A1156-L1160 WeakPolarHBondContact O-CG 3.37Å; A1156-L1160 PolarHBondContact O-N 3.02Å; A1156-L1160 VanDerWaalsContact O-N 3.15Å
1157	S	85.6	Confident	79.3	Confident	51 Å²	51	38 Å²	38	36%	0.357	19%	0.192	S	C	.	.	H	α-helix	trans	-66.1	-45.5	178.7	-56.2	0	0	0	0	111.4	L1153 R1154 K1159 L1160 Q1161	L1153-S1157 WeakPolarHBondContact O-CB 3.28Å; L1153-S1157 PolarHBondContact O-N 3.09Å; L1153-S1157 PolarHBondContact O-OG 3.2Å; R1154-S1157 WeakPolarHBondContact O-CB 3.42Å; R1154-S1157 PolarHBondContact O-N 3.26Å; R1154-S1157 VanDerWaalsContact O-N 3.08Å; S1157-K1159 VanDerWaalsContact C-N 3.31Å; S1157-K1159 PolarHBondContact O-N 3.04Å; S1157-L1160 PolarHBondContact O-N 3.37Å; S1157-L1160 VanDerWaalsContact O-N 3.11Å; S1157-Q1161 WeakPolarHBondContact O-CG 3.49Å; S1157-Q1161 PolarHBondContact O-N 3.43Å
1158	E	76.4	Confident	77.5	Confident	42 Å²	42	40.3 Å²	40.3	20%	0.196	22%	0.217	C	C	.	.	H	α-helix	trans	-52.2	-46.4	172.6	-71.9	175.4	-157.3	0	0	112.2	R1154 L1160 Q1161 M1162 V1233	R1154-E1158 VanDerWaalsContact O-CG 3.31Å; R1154-E1158 WeakPolarHBondContact O-CG 3.33Å; R1154-E1158 PolarHBondContact O-N 3.09Å; E1158-L1160 PolarHBondContact O-N 3.42Å; E1158-Q1161 PolarHBondContact O-N 2.95Å; E1158-M1162 PolarHBondContact O-N 3.35Å; E1158-V1233 HydrophobicContact CB-CG1 3.66Å; E1158-V1233 HydrophobicContact CG-CG1 3.55Å
1159	K	73.3	Confident	75.3	Confident	6 Å²	6	41.4 Å²	41.4	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-66.5	-33.3	177.9	-76	178.6	-176.6	-165.5	0	113.5	N767 F1116 P1118 Y1119 I1155 A1156 S1157 M1162	N767-K1159 WeakPolarHBondContact OD1-CE 3.26Å; N767-K1159 PolarHBondContact OD1-NZ 3.5Å; F1116-K1159 PolarHBondContact O-NZ 3.01Å; P1118-K1159 HydrophobicContact CG-CB 3.89Å; P1118-K1159 HydrophobicContact CG-CD 4.39Å; Y1119-K1159 HydrophobicContact CE2-CB 4.34Å; Y1119-K1159 PolarHBondContact OH-O 3.41Å; I1155-K1159 HydrophobicContact CG2-CD 4.43Å; I1155-K1159 VanDerWaalsContact O-CG 3.31Å; I1155-K1159 WeakPolarHBondContact O-CG 3.49Å; I1155-K1159 PolarHBondContact O-N 2.85Å; I1155-K1159 VanDerWaalsContact O-N 3.13Å; A1156-K1159 PolarHBondContact O-N 3.27Å; S1157-K1159 VanDerWaalsContact C-N 3.31Å; S1157-K1159 PolarHBondContact O-N 3.04Å; K1159-M1162 WeakPolarHBondContact O-CB 3.45Å; K1159-M1162 PolarHBondContact O-N 3.47Å
1160	L	78.6	Confident	72.4	Confident	56 Å²	56	47.2 Å²	47.2	29%	0.293	26%	0.26	S	S	.	.	H	α-helix	trans	-74.7	-38.9	177.6	-71.8	172.5	0	0	0	112.1	P1118 Y1119 K1122 A1156 S1157 E1158 M1162 E1163 Q1164	P1118-L1160 HydrophobicContact CB-CD1 4.03Å; P1118-L1160 HydrophobicContact CB-CD2 4.14Å; P1118-L1160 HydrophobicContact CB-CG 3.91Å; P1118-L1160 HydrophobicContact CG-CD2 4.19Å; P1118-L1160 HydrophobicContact CG-CG 3.94Å; Y1119-L1160 HydrophobicContact CE1-CD2 4.38Å; K1122-L1160 HydrophobicContact CD-CD2 4.13Å; A1156-L1160 WeakPolarHBondContact O-CG 3.37Å; A1156-L1160 PolarHBondContact O-N 3.02Å; A1156-L1160 VanDerWaalsContact O-N 3.15Å; S1157-L1160 PolarHBondContact O-N 3.37Å; S1157-L1160 VanDerWaalsContact O-N 3.11Å; E1158-L1160 PolarHBondContact O-N 3.42Å; L1160-M1162 PolarHBondContact O-N 3.41Å; L1160-E1163 PolarHBondContact O-N 2.91Å; L1160-E1163 VanDerWaalsContact O-N 3.1Å; L1160-Q1164 PolarHBondContact O-N 3.41Å
1161	Q	73.5	Confident	69.5	Low	81 Å²	81	46.8 Å²	46.8	38%	0.379	27%	0.265	S	S	.	.	H	α-helix	trans	-58.8	-33.8	171.1	-69.3	173.3	1.6	0	0	111.4	S1157 E1158 E1163 Q1164 N1165	S1157-Q1161 WeakPolarHBondContact O-CG 3.49Å; S1157-Q1161 PolarHBondContact O-N 3.43Å; E1158-Q1161 PolarHBondContact O-N 2.95Å; Q1161-E1163 PolarHBondContact O-N 2.8Å; Q1161-Q1164 PolarHBondContact O-N 3.4Å; Q1161-N1165 WeakPolarHBondContact O-CB 3.41Å; Q1161-N1165 VanDerWaalsContact O-CG 3.28Å; Q1161-N1165 PolarHBondContact O-N 2.94Å; Q1161-N1165 PolarHBondContact O-ND2 3.3Å
1162	M	65.6	Low	66.6	Low	34 Å²	34	49.1 Å²	49.1	17%	0.167	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-37.8	174.3	-160	-171.4	-60.8	0	0	113.1	N767 E1158 K1159 L1160 V1166	N767-M1162 VanDerWaalsContact O-SD 3.4Å; E1158-M1162 PolarHBondContact O-N 3.35Å; K1159-M1162 WeakPolarHBondContact O-CB 3.45Å; K1159-M1162 PolarHBondContact O-N 3.47Å; L1160-M1162 PolarHBondContact O-N 3.41Å; M1162-V1166 HydrophobicContact CG-CG2 4.5Å; M1162-V1166 WeakPolarHBondContact O-CG2 3.41Å; M1162-V1166 PolarHBondContact O-N 3.5Å; M1162-V1166 VanDerWaalsContact O-N 3.09Å
1163	E	65.9	Low	63.5	Low	4 Å²	4	58.7 Å²	58.7	2%	0.019	33%	0.327	C	S	.	.	H	α-helix	trans	-61.9	-48	173.6	-176.1	177.8	-146.6	0	0	110.6	R838 Y1119 K1122 L1160 Q1161 V1166 T1167	R838-E1163 IonicContact CZ-OE1 2.75Å; R838-E1163 IonicContact NH1-OE1 3.63Å; R838-E1163 IonicContact NH2-OE1 3.01Å; R838-E1163 PolarHBondContact NH2-OE1 2.92Å; R838-E1163 IonicContact NH2-OE2 3.74Å; Y1119-E1163 HydrophobicContact CE1-CB 4.18Å; Y1119-E1163 HydrophobicContact CE1-CG 4.48Å; Y1119-E1163 WeakPolarHBondContact OH-CB 3.32Å; K1122-E1163 IonicContact NZ-OE2 3.74Å; K1122-E1163 PolarHBondContact NZ-OE2 3.27Å; L1160-E1163 PolarHBondContact O-N 2.91Å; L1160-E1163 VanDerWaalsContact O-N 3.1Å; Q1161-E1163 PolarHBondContact O-N 2.8Å; E1163-V1166 PolarHBondContact O-N 2.62Å; E1163-T1167 HydrophobicContact CG-CG2 4.21Å; E1163-T1167 WeakPolarHBondContact O-CB 3.38Å; E1163-T1167 WeakPolarHBondContact O-CG2 3.27Å; E1163-T1167 PolarHBondContact O-N 3.23Å; E1163-T1167 PolarHBondContact O-OG1 3.38Å
1164	Q	69.5	Low	60.5	Low	97 Å²	97	63.3 Å²	63.3	45%	0.453	35%	0.352	S	S	.	.	H	α-helix	trans	-60.9	-49.4	-179.2	-65.5	169.9	-25.5	0	0	111.2	L1160 Q1161 V1166 T1167 G1168 C1169	L1160-Q1164 PolarHBondContact O-N 3.41Å; Q1161-Q1164 PolarHBondContact O-N 3.4Å; Q1164-V1166 VanDerWaalsContact C-N 3.32Å; Q1164-V1166 PolarHBondContact O-N 2.91Å; Q1164-T1167 PolarHBondContact O-N 3.49Å; Q1164-G1168 PolarHBondContact O-N 3.09Å; Q1164-C1169 PolarHBondContact O-N 2.89Å
1165	N	64.7	Low	57.7	Low	77 Å²	77	62.2 Å²	62.2	41%	0.412	36%	0.359	S	S	.	.	H	α-helix	trans	-64.4	-31.2	-179.1	-74	-19.3	0	0	0	113.4	K829 Q1161	K829-N1165 WeakPolarHBondContact CE-O 3.32Å; K829-N1165 PolarHBondContact NZ-O 3.11Å; Q1161-N1165 WeakPolarHBondContact O-CB 3.41Å; Q1161-N1165 VanDerWaalsContact O-CG 3.28Å; Q1161-N1165 PolarHBondContact O-N 2.94Å; Q1161-N1165 PolarHBondContact O-ND2 3.3Å
1166	V	60.7	Low	55.1	Low	19 Å²	19	69.4 Å²	69.4	12%	0.115	39%	0.392	C	S	.	.	H	α-helix	trans	-88.4	-34.7	176.8	-173.6	0	0	0	0	112.6	I765 L769 K829 M1162 E1163 Q1164 G1168	I765-V1166 HydrophobicContact CD1-CB 3.81Å; I765-V1166 HydrophobicContact CD1-CG1 3.29Å; L769-V1166 HydrophobicContact CD2-CG1 4.27Å; L769-V1166 HydrophobicContact CD2-CG2 4.29Å; K829-V1166 WeakPolarHBondContact CE-O 3.5Å; M1162-V1166 HydrophobicContact CG-CG2 4.5Å; M1162-V1166 WeakPolarHBondContact O-CG2 3.41Å; M1162-V1166 PolarHBondContact O-N 3.5Å; M1162-V1166 VanDerWaalsContact O-N 3.09Å; E1163-V1166 PolarHBondContact O-N 2.62Å; Q1164-V1166 VanDerWaalsContact C-N 3.32Å; Q1164-V1166 PolarHBondContact O-N 2.91Å; V1166-G1168 PolarHBondContact O-N 3.14Å
1167	T	59.9	Low	52.4	Low	37 Å²	37	76.4 Å²	76.4	23%	0.227	42%	0.423	C	S	.	.	H	α-helix	trans	-78.6	-1.5	175.9	57.8	0	0	0	0	114.2	E1163 Q1164 C1169	E1163-T1167 HydrophobicContact CG-CG2 4.21Å; E1163-T1167 WeakPolarHBondContact O-CB 3.38Å; E1163-T1167 WeakPolarHBondContact O-CG2 3.27Å; E1163-T1167 PolarHBondContact O-N 3.23Å; E1163-T1167 PolarHBondContact O-OG1 3.38Å; Q1164-T1167 PolarHBondContact O-N 3.49Å; T1167-C1169 PolarHBondContact O-N 3.24Å; T1167-C1169 PolarHBondContact O-SG 2.88Å; T1167-C1169 VanDerWaalsContact O-SG 3.39Å
1168	G	54.1	Low	49.8	Very low	51 Å²	51	78.6 Å²	78.6	53%	0.526	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	8.3	172.5	0	0	0	0	0	114.8	Q1164 V1166 V1170	Q1164-G1168 PolarHBondContact O-N 3.09Å; V1166-G1168 PolarHBondContact O-N 3.14Å; G1168-V1170 PolarHBondContact O-N 2.92Å
1169	C	44.5	Very low	47.6	Very low	26 Å²	26	81.6 Å²	81.6	18%	0.176	45%	0.448	C	S	.	.			trans	-95.4	72.6	-173.7	-66.1	0	0	0	0	111.1	L840 Q1164 T1167 S1171	L840-C1169 HydrophobicContact CD1-CB 3.78Å; Q1164-C1169 PolarHBondContact O-N 2.89Å; T1167-C1169 PolarHBondContact O-N 3.24Å; T1167-C1169 PolarHBondContact O-SG 2.88Å; T1167-C1169 VanDerWaalsContact O-SG 3.39Å; C1169-S1171 PolarHBondContact O-N 3.29Å
1170	V	30.9	Very low	45.5	Very low	123 Å²	123	88.3 Å²	88.3	75%	0.745	48%	0.48	S	S	*	.			trans	-67.6	103.6	167.9	-176.7	0	0	0	0	108.1	G1168 G1172	G1168-V1170 PolarHBondContact O-N 2.92Å; V1170-G1172 PolarHBondContact O-N 3.2Å
1171	S	31.3	Very low	43.2	Very low	71 Å²	71	89.6 Å²	89.6	50%	0.497	49%	0.493	S	S	.	.			trans	-76.1	112.5	172.6	-63.8	0	0	0	0	108.4	C1169 Y1173	C1169-S1171 PolarHBondContact O-N 3.29Å; S1171-Y1173 PolarHBondContact O-N 3.17Å
1172	G	25.7	Very low	41.4	Very low	60 Å²	60	90.8 Å²	90.8	62%	0.619	50%	0.499	S	S	*	.			trans	-70.6	27.5	-177.1	0	0	0	0	0	115.6	V1170	V1170-G1172 PolarHBondContact O-N 3.2Å
1173	Y	27.4	Very low	39.8	Very low	207 Å²	207	95.1 Å²	95.1	81%	0.812	52%	0.517	S	S	*	.			trans	-117	95.3	178.9	-68.4	-81.3	0	0	0	108.5	S1171	S1171-Y1173 PolarHBondContact O-N 3.17Å
1174	N	28.1	Very low	38.3	Very low	138 Å²	138	100.3 Å²	100.3	74%	0.738	55%	0.549	S	S	*	.	S	Bend	trans	175.8	-12.3	158.7	-95.5	-8.7	0	0	0	113	E1176 T1178	N1174-E1176 PolarHBondContact O-N 3.38Å; N1174-T1178 PolarHBondContact O-OG1 3.04Å
1175	T	28.6	Very low	36.6	Very low	100 Å²	100	99.6 Å²	99.6	61%	0.613	56%	0.559	S	S	*	*	H	α-helix	trans	-71.5	-25.5	-175.3	-43.4	0	0	0	0	113.9
1176	E	28.2	Very low	35	Very low	167 Å²	167	104.5 Å²	104.5	78%	0.78	57%	0.572	S	S	*	*	H	α-helix	trans	-86.8	-32.2	-168.6	-63.8	-179.1	154	0	0	114.2	N1174	N1174-E1176 PolarHBondContact O-N 3.38Å
1177	Q	28.3	Very low	33.5	Very low	158 Å²	158	109.4 Å²	109.4	74%	0.738	60%	0.602	S	S	*	*	H	α-helix	trans	-80.9	-29.3	-176.4	-70.9	-173.6	-16.9	0	0	114.4	E1179 S1181	Q1177-E1179 VanDerWaalsContact C-N 3.33Å; Q1177-S1181 PolarHBondContact O-OG 2.67Å; Q1177-S1181 VanDerWaalsContact O-OG 3.12Å
1178	T	30.2	Very low	32	Very low	96 Å²	96	113.2 Å²	113.2	59%	0.589	63%	0.63	S	S	*	*	H	α-helix	trans	-68.4	-35.6	175.7	-37.2	0	0	0	0	111.3	N1174 E1182	N1174-T1178 PolarHBondContact O-OG1 3.04Å; T1178-E1182 PolarHBondContact O-N 3.41Å
1179	E	29.6	Very low	31	Very low	105 Å²	105	116.5 Å²	116.5	49%	0.491	65%	0.645	S	S	.	*	H	α-helix	trans	-74.7	-26.5	-175.7	-91.2	-152.6	-139.2	0	0	114.5	Q1177 K1183	Q1177-E1179 VanDerWaalsContact C-N 3.33Å; E1179-K1183 WeakPolarHBondContact O-CD 3.45Å; E1179-K1183 WeakPolarHBondContact O-CE 3.36Å; E1179-K1183 WeakPolarHBondContact O-CG 3.27Å; E1179-K1183 PolarHBondContact O-NZ 3.25Å; E1179-K1183 IonicContact OE2-NZ 3.33Å; E1179-K1183 PolarHBondContact OE2-NZ 3.38Å
1180	E	29.5	Very low	30.3	Very low	148 Å²	148	126 Å²	126	69%	0.692	68%	0.677	S	S	*	*	H	α-helix	trans	-78.7	-38.6	174.3	-64.8	-161.3	124.6	0	0	111.8	E1182 K1183 T1184	E1180-E1182 PolarHBondContact O-N 3.19Å; E1180-K1183 PolarHBondContact O-N 2.78Å; E1180-K1183 VanDerWaalsContact O-N 3.16Å; E1180-T1184 PolarHBondContact O-N 3.28Å
1181	S	31.8	Very low	30.2	Very low	82 Å²	82	130 Å²	130	57%	0.573	68%	0.679	S	S	*	*	H	α-helix	trans	-64.7	-38.3	-178.6	-57.6	0	0	0	0	113.2	Q1177 T1184	Q1177-S1181 PolarHBondContact O-OG 2.67Å; Q1177-S1181 VanDerWaalsContact O-OG 3.12Å; S1181-T1184 PolarHBondContact O-OG1 3.44Å
1182	E	34.8	Very low	30.2	Very low	107 Å²	107	136.2 Å²	136.2	50%	0.5	69%	0.691	S	S	.	*	H	α-helix	trans	-70.5	-28.8	174.6	-74.3	-144.6	153	0	0	113.4	T1178 E1180 A1185 R1186	T1178-E1182 PolarHBondContact O-N 3.41Å; E1180-E1182 PolarHBondContact O-N 3.19Å; E1182-A1185 PolarHBondContact O-N 3.48Å; E1182-R1186 IonicContact OE2-CZ 3.75Å; E1182-R1186 IonicContact OE2-NH1 2.7Å; E1182-R1186 PolarHBondContact OE2-NH1 3.34Å
1183	K	32.4	Very low	30.4	Very low	125 Å²	125	143.6 Å²	143.6	54%	0.543	70%	0.701	S	S	.	*	H	α-helix	trans	-75	-28.1	-176.2	-72.3	168.2	-162.1	158.3	0	112.3	E1179 E1180	E1179-K1183 WeakPolarHBondContact O-CD 3.45Å; E1179-K1183 WeakPolarHBondContact O-CE 3.36Å; E1179-K1183 WeakPolarHBondContact O-CG 3.27Å; E1179-K1183 PolarHBondContact O-NZ 3.25Å; E1179-K1183 IonicContact OE2-NZ 3.33Å; E1179-K1183 PolarHBondContact OE2-NZ 3.38Å; E1180-K1183 PolarHBondContact O-N 2.78Å; E1180-K1183 VanDerWaalsContact O-N 3.16Å
1184	T	33.1	Very low	30.6	Very low	113 Å²	113	138.9 Å²	138.9	69%	0.693	70%	0.698	S	S	*	*	H	α-helix	trans	-75.5	-29.4	172	42	0	0	0	0	113.8	E1180 S1181	E1180-T1184 PolarHBondContact O-N 3.28Å; S1181-T1184 PolarHBondContact O-OG1 3.44Å
1185	A	35	Very low	30.8	Very low	81 Å²	81	141.3 Å²	141.3	67%	0.669	70%	0.702	S	S	*	*	H	α-helix	trans	-80.2	-19.8	-174.9	0	0	0	0	0	114.9	E1182	E1182-A1185 PolarHBondContact O-N 3.48Å
1186	R	31.6	Very low	30.9	Very low	181 Å²	181	141.9 Å²	141.9	68%	0.683	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	4.7	-174.6	-79.6	-177.9	171.6	125.6	1.6	115.7	E1182 S1188	E1182-R1186 IonicContact OE2-CZ 3.75Å; E1182-R1186 IonicContact OE2-NH1 2.7Å; E1182-R1186 PolarHBondContact OE2-NH1 3.34Å; R1186-S1188 PolarHBondContact O-N 3.22Å
1187	V	29.4	Very low	31.2	Very low	121 Å²	121	137.6 Å²	137.6	73%	0.733	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	52.6	-178.7	-163.9	0	0	0	0	112.4
1188	S	28.1	Very low	31.4	Very low	118 Å²	118	137.2 Å²	137.2	83%	0.825	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.2	15.2	-176.1	-87.6	0	0	0	0	116.7	R1186	R1186-S1188 PolarHBondContact O-N 3.22Å
1189	S	33.2	Very low	31.5	Very low	120 Å²	120	140.5 Å²	140.5	84%	0.839	72%	0.718	S	S	*	*			trans	-141.7	137.8	171.4	41.5	0	0	0	0	113.5
1190	R	29.4	Very low	31.5	Very low	224 Å²	224	142.8 Å²	142.8	85%	0.845	73%	0.733	S	S	*	*			trans	-99	149.9	-161.7	-81	170.6	159.2	164.5	-6.2	113.7
1191	R	28.9	Very low	31.7	Very low	209 Å²	209	141.4 Å²	141.4	79%	0.789	74%	0.737	S	S	*	*			trans	73	149	155.7	-70.5	162.6	171.6	177	-3.8	114.8
1192	R	31.1	Very low	31.4	Very low	200 Å²	200	143 Å²	143	76%	0.755	75%	0.747	S	S	*	*			cis	-160.7	141.9	17.7	-134	163.7	-174.8	177.1	0.1	112
1193	R	29.8	Very low	31.3	Very low	215 Å²	215	142.8 Å²	142.8	81%	0.811	76%	0.757	S	S	*	*			trans	63.7	115.5	155.1	-73.9	175.4	169.4	175.3	-5.4	118.7
1194	S	30.5	Very low	31.2	Very low	108 Å²	108	141.5 Å²	141.5	76%	0.755	76%	0.764	S	S	*	*				88	140.6	87.5	-60.8	0	0	0	0	113.3
1195	K	32.5	Very low	31	Very low	189 Å²	189	143.2 Å²	143.2	82%	0.822	77%	0.768	S	S	*	*			cis	-166.3	146	23	-137.7	179.4	-173.3	-174.1	0	111.1
1196	S	32	Very low	30.6	Very low	113 Å²	113	146.6 Å²	146.6	79%	0.79	78%	0.775	S	S	*	*			trans	65.3	148.8	152.2	-59	0	0	0	0	120.3
1197	A	34.4	Very low	30.4	Very low	76 Å²	76	141.6 Å²	141.6	63%	0.628	78%	0.779	S	S	*	*			cis	-167.5	146.7	-14.9	0	0	0	0	0	112.8
1198	N	31.5	Very low	30.1	Very low	150 Å²	150	144.3 Å²	144.3	80%	0.802	79%	0.787	S	S	*	*			trans	54.2	157.8	144.3	-50.4	-6	0	0	0	119.6
1199	I	33.6	Very low	30	Very low	165 Å²	165	145.2 Å²	145.2	85%	0.846	79%	0.787	S	S	*	*			cis	-135	169.6	25.7	-69.3	170.8	0	0	0	111.5
1200	L	29.1	Very low	29.7	Very low	154 Å²	154	147.2 Å²	147.2	81%	0.806	78%	0.783	S	S	*	*			trans	-85.2	171	-166.1	-84.9	85.1	0	0	0	117.6
1201	P	34.6	Very low	29.6	Very low	118 Å²	118	143.4 Å²	143.4	77%	0.766	78%	0.78	S	S	*	*			trans	-118.2	-157.5	-176.8	44.9	-32.5	0	0	0	114.3
1202	C	25.3	Very low	29.5	Very low	116 Å²	116	137 Å²	137	78%	0.784	78%	0.778	S	S	*	*			trans	96.5	126.2	154.7	-155.3	0	0	0	0	119.1
1203	S	31.9	Very low	29.3	Very low	103 Å²	103	135.4 Å²	135.4	72%	0.72	79%	0.785	S	S	*	*				175	138.3	106.9	42.4	0	0	0	0	116.8
1204	S	30.1	Very low	29.1	Very low	98 Å²	98	130.6 Å²	130.6	69%	0.685	78%	0.779	S	S	*	*			trans	63.4	119.4	141.9	56.6	0	0	0	0	125.8
1205	L	29.8	Very low	28.8	Very low	149 Å²	149	135.4 Å²	135.4	78%	0.78	79%	0.787	S	S	*	*				89.7	106.5	128.1	-93	73.7	0	0	0	123.3
1206	D	26.8	Very low	28.5	Very low	152 Å²	152	136.1 Å²	136.1	81%	0.813	79%	0.79	S	S	*	*				53.1	123	118.7	-55.4	1.7	0	0	0	122.4
1207	G	25.6	Very low	28.2	Very low	75 Å²	75	136.7 Å²	136.7	77%	0.773	79%	0.788	S	S	*	*			trans	161.5	87.5	157.6	0	0	0	0	0	117.7
1208	M	24.9	Very low	27.8	Very low	179 Å²	179	141 Å²	141	88%	0.882	80%	0.8	S	S	*	*			trans	56.1	127.5	154.7	-63.3	-178.4	174	0	0	121.4
1209	T	25.9	Very low	27.5	Very low	136 Å²	136	137 Å²	137	83%	0.834	80%	0.795	S	S	*	*			trans	68.5	160.5	151.2	54	0	0	0	0	120.2
1210	E	26.8	Very low	27.1	Very low	163 Å²	163	136.9 Å²	136.9	76%	0.762	80%	0.796	S	S	*	*			trans	75.2	126.8	166.4	-62.7	-142.8	177.5	0	0	121.7
1211	N	26.6	Very low	27	Very low	144 Å²	144	137.2 Å²	137.2	77%	0.77	80%	0.797	S	S	*	*				42.3	98.9	128.4	-55.1	-40	0	0	0	119.8
1212	G	27.7	Very low	26.6	Very low	73 Å²	73	138.2 Å²	138.2	75%	0.753	80%	0.796	S	S	*	*			trans	171.4	67.3	161.3	0	0	0	0	0	119.8
1213	N	25.9	Very low	26.7	Very low	167 Å²	167	139 Å²	139	89%	0.893	80%	0.8	S	S	*	*			trans	-153.1	45.2	161.5	-108.1	-27.1	0	0	0	114.2
1214	V	25.5	Very low	26.5	Very low	114 Å²	114	139.9 Å²	139.9	69%	0.691	80%	0.801	S	S	*	*			trans	-135.9	45.3	-179.6	-161.8	0	0	0	0	111.9
1215	F	24.9	Very low	26.2	Very low	210 Å²	210	139.8 Å²	139.8	92%	0.921	81%	0.806	S	S	*	*			trans	-150.9	81.8	174.9	-106.8	-71.2	0	0	0	113.9
1216	K	25.4	Very low	26	Very low	203 Å²	203	137.7 Å²	137.7	88%	0.883	80%	0.804	S	S	*	*			trans	-161.3	161.5	157.6	-108.3	163.6	-173.3	176.3	0	108.8
1217	V	25.8	Very low	25.9	Very low	125 Å²	125	137.9 Å²	137.9	76%	0.758	81%	0.805	S	S	*	*	S	Bend	trans	61.2	73.5	-179.2	-164.1	0	0	0	0	114.9
1218	L	25.5	Very low	26	Very low	166 Å²	166	141.1 Å²	141.1	87%	0.869	80%	0.804	S	S	*	*	S	Bend		-179	133.7	127.6	-97.6	166.4	0	0	0	109.7
1219	G	26	Very low	26	Very low	68 Å²	68	138.5 Å²	138.5	70%	0.701	80%	0.803	S	S	*	*	S	Bend	trans	85.1	65.1	169.3	0	0	0	0	0	117.3
1220	N	24.4	Very low	26.2	Very low	162 Å²	162	136 Å²	136	87%	0.866	78%	0.784	S	S	*	*			trans	-166.9	93.8	152.4	-105.6	-28	0	0	0	111
1221	L	28.2	Very low	26.3	Very low	160 Å²	160	132.2 Å²	132.2	84%	0.838	78%	0.776	S	S	*	*			trans	-138.5	112.4	164.7	-76.3	177.9	0	0	0	109.4
1222	N	25.2	Very low	26.4	Very low	140 Å²	140	127.3 Å²	127.3	75%	0.749	75%	0.749	S	S	*	*			trans	-76.4	148.4	158.8	-72	-53.9	0	0	0	108.3	T1224	N1222-T1224 PolarHBondContact O-N 3.32Å
1223	P	27.4	Very low	26.6	Very low	132 Å²	132	125.5 Å²	125.5	86%	0.857	72%	0.724	S	S	*	*			trans	-75.2	87.3	172.7	31.4	-34.1	0	0	0	110.6
1224	T	27	Very low	26.9	Very low	122 Å²	122	121.1 Å²	121.1	75%	0.748	70%	0.7	S	S	*	*			trans	-109.7	124.4	158	47.2	0	0	0	0	107.5	N1222	N1222-T1224 PolarHBondContact O-N 3.32Å
1225	A	25.2	Very low	27.2	Very low	96 Å²	96	117.3 Å²	117.3	79%	0.793	68%	0.677	S	S	*	*			trans	-67.3	168.6	-171.2	0	0	0	0	0	113.6
1226	S	25	Very low	27.7	Very low	105 Å²	105	108.1 Å²	108.1	73%	0.734	64%	0.638	S	S	*	*	S	Bend	trans	86.3	147.9	-166.3	68.4	0	0	0	0	115.7
1227	D	25.2	Very low	28.1	Very low	156 Å²	156	101 Å²	101	83%	0.834	61%	0.614	S	S	*	*			trans	67.9	45.6	165.5	-53.4	-9.5	0	0	0	119.5
1228	L	27.3	Very low	28.5	Very low	142 Å²	142	97.7 Å²	97.7	74%	0.743	60%	0.596	S	S	*	*			trans	-129.3	81.7	159.3	-84.8	172.4	0	0	0	112	L1230	L1228-L1230 PolarHBondContact O-N 3.31Å
1229	S	24.6	Very low	29.2	Very low	124 Å²	124	93.3 Å²	93.3	87%	0.867	58%	0.58	S	S	*	*			trans	-77.7	79.6	173.9	58.5	0	0	0	0	111.7	S1231	S1229-S1231 PolarHBondContact O-N 2.81Å
1230	L	31	Very low	30.2	Very low	83 Å²	83	100 Å²	100	44%	0.435	58%	0.583	S	S	.	*			trans	-71.3	115.3	173.6	-73.4	169.9	0	0	0	110.6	E822 L1228 I1232	E822-L1230 WeakPolarHBondContact OE1-CD1 3.13Å; L1228-L1230 PolarHBondContact O-N 3.31Å; L1230-I1232 PolarHBondContact O-N 3.15Å
1231	S	27.4	Very low	31.8	Very low	84 Å²	84	93.6 Å²	93.6	59%	0.587	55%	0.549	S	S	*	.			trans	-68.8	96.1	174.3	57.5	0	0	0	0	110.4	S1229	S1229-S1231 PolarHBondContact O-N 2.81Å
1232	I	29.2	Very low	33.2	Very low	42 Å²	42	87 Å²	87	22%	0.215	52%	0.516	C	S	.	.			trans	-74.4	141.8	-177.4	-67	158.7	0	0	0	111	P815 R817 L1230	P815-I1232 HydrophobicContact CB-CG2 4.12Å; P815-I1232 VanDerWaalsContact CD-O 3.27Å; P815-I1232 WeakPolarHBondContact CD-O 3.28Å; P815-I1232 HydrophobicContact CG-CG2 4.42Å; P815-I1232 VanDerWaalsContact O-CB 3.29Å; P815-I1232 WeakPolarHBondContact O-CB 3.27Å; P815-I1232 WeakPolarHBondContact O-CD1 3.49Å; P815-I1232 WeakPolarHBondContact O-CG2 3.46Å; R817-I1232 HydrophobicContact CB-CD1 4.23Å; R817-I1232 HydrophobicContact CG-CD1 4.13Å; R817-I1232 HydrophobicContact CG-CG2 4.08Å; L1230-I1232 PolarHBondContact O-N 3.15Å
1233	V	33.4	Very low	34.9	Very low	35 Å²	35	85.9 Å²	85.9	21%	0.212	51%	0.506	C	S	.	.			trans	-134.2	151.9	-178.8	179	0	0	0	0	110.3	R817 E1158	R817-V1233 PolarHBondContact NH2-O 3.41Å; R817-V1233 VanDerWaalsContact NH2-O 3.11Å; E1158-V1233 HydrophobicContact CB-CG1 3.66Å; E1158-V1233 HydrophobicContact CG-CG1 3.55Å
1234	N	30.2	Very low	36.6	Very low	75 Å²	75	85.7 Å²	85.7	40%	0.401	49%	0.489	S	S	.	.			trans	-64	135	-171.3	-68.3	-64.6	0	0	0	113.8	I1236	N1234-I1236 PolarHBondContact O-N 3.47Å
1235	P	32.7	Very low	38.6	Very low	33 Å²	33	80.3 Å²	80.3	21%	0.214	46%	0.455	C	S	.	.			trans	-76.7	106.5	172.4	28.5	-29.5	0	0	0	111.2
1236	I	35.1	Very low	40.8	Very low	17 Å²	17	76.1 Å²	76.1	9%	0.087	42%	0.42	C	S	.	.			trans	-91.1	141.4	177.2	-72.4	172	0	0	0	110.4	N767 I1155 N1234 D1245	N767-I1236 VanDerWaalsContact O-O 3.06Å; I1155-I1236 HydrophobicContact CG1-CD1 4.37Å; I1155-I1236 HydrophobicContact CG2-CD1 3.76Å; N1234-I1236 PolarHBondContact O-N 3.47Å; I1236-D1245 WeakPolarHBondContact CG2-OD2 3.19Å
1237	S	33.3	Very low	43.2	Very low	55 Å²	55	76.3 Å²	76.3	39%	0.385	41%	0.405	S	S	.	.			trans	-106.1	127.3	-169.9	60.8	0	0	0	0	115.5
1238	S	35.3	Very low	45.7	Very low	54 Å²	54	71.4 Å²	71.4	38%	0.378	38%	0.382	S	S	.	.	S	Bend	trans	78.4	170.5	168.3	96.5	0	0	0	0	118.3	N767 R1240	N767-S1238 VanDerWaalsContact CG-O 3.31Å; N767-S1238 PolarHBondContact OD1-O 2.96Å; S1238-R1240 VanDerWaalsContact C-N 3.25Å; S1238-R1240 CarbonylContact C-O 3.6Å; S1238-R1240 PolarHBondContact O-N 3.17Å; S1238-R1240 PolarHBondContact OG-N 2.65Å; S1238-R1240 VanDerWaalsContact OG-N 3.11Å; S1238-R1240 PolarHBondContact OG-O 3.49Å
1239	S	39.7	Very low	48.2	Very low	75 Å²	75	64.8 Å²	64.8	52%	0.524	35%	0.348	S	S	.	.	S	Bend	trans	-77.3	-2.8	172.6	42.9	0	0	0	0	114.5	K739	K739-S1239 WeakPolarHBondContact CE-OG 3.43Å
1240	R	46.7	Very low	50.9	Low	207 Å²	207	59 Å²	59	78%	0.781	31%	0.307	S	S	*	.	S	Bend	trans	-97.8	143.7	156.5	-66.8	178.4	176.9	174.5	-2.6	106.1	S1238 S1242	S1238-R1240 VanDerWaalsContact C-N 3.25Å; S1238-R1240 CarbonylContact C-O 3.6Å; S1238-R1240 PolarHBondContact O-N 3.17Å; S1238-R1240 PolarHBondContact OG-N 2.65Å; S1238-R1240 VanDerWaalsContact OG-N 3.11Å; S1238-R1240 PolarHBondContact OG-O 3.49Å; R1240-S1242 PolarHBondContact O-N 3.21Å
1241	I	57.8	Low	53.2	Low	28 Å²	28	57 Å²	57	14%	0.144	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-46.5	131.1	162.3	-41.5	156.7	0	0	0	106.5	F1116 D1245 V1246	F1116-I1241 HydrophobicContact CB-CD1 4.26Å; F1116-I1241 HydrophobicContact CB-CG1 3.61Å; F1116-I1241 HydrophobicContact CD1-CD1 3.42Å; F1116-I1241 VanDerWaalsContact CD1-CD1 3.42Å; F1116-I1241 HydrophobicContact CD1-CG1 3.59Å; F1116-I1241 HydrophobicContact CD2-CD1 3.72Å; F1116-I1241 HydrophobicContact CD2-CG1 3.99Å; F1116-I1241 HydrophobicContact CE1-CD1 3.44Å; F1116-I1241 VanDerWaalsContact CE1-CD1 3.44Å; F1116-I1241 HydrophobicContact CE1-CG1 4.16Å; F1116-I1241 HydrophobicContact CE2-CD1 3.74Å; F1116-I1241 HydrophobicContact CG-CD1 3.55Å; F1116-I1241 HydrophobicContact CG-CG1 3.47Å; F1116-I1241 VanDerWaalsContact CG-CG1 3.47Å; F1116-I1241 HydrophobicContact CZ-CD1 3.6Å; I1241-D1245 HydrophobicContact CG2-CB 3.69Å; I1241-D1245 WeakPolarHBondContact CG2-OD2 3.28Å; I1241-V1246 HydrophobicContact CB-CG2 3.56Å; I1241-V1246 HydrophobicContact CD1-CG2 3.84Å; I1241-V1246 HydrophobicContact CG1-CG2 4.34Å; I1241-V1246 HydrophobicContact CG2-CB 4.38Å; I1241-V1246 HydrophobicContact CG2-CG2 3.52Å
1242	S	57.7	Low	55.7	Low	21 Å²	21	55.1 Å²	55.1	15%	0.147	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-65.5	149	173.5	101.9	0	0	0	0	108	R1240 R1244 D1245 V1246	R1240-S1242 PolarHBondContact O-N 3.21Å; S1242-R1244 PolarHBondContact O-N 3.35Å; S1242-R1244 WeakPolarHBondContact OG-CB 3.29Å; S1242-R1244 PolarHBondContact OG-N 2.69Å; S1242-D1245 VanDerWaalsContact CB-OD1 3.24Å; S1242-D1245 WeakPolarHBondContact CB-OD1 3.35Å; S1242-D1245 PolarHBondContact N-OD2 2.98Å; S1242-D1245 PolarHBondContact O-N 2.84Å; S1242-D1245 PolarHBondContact OG-N 3.01Å; S1242-D1245 PolarHBondContact OG-OD1 3.46Å; S1242-V1246 PolarHBondContact O-N 2.83Å
1243	E	62.2	Low	58.1	Low	117 Å²	117	53.3 Å²	53.3	55%	0.547	28%	0.275	S	S	.	.	H	α-helix	trans	-59.6	-20	-178.4	-151.4	-164.8	-170.7	0	0	111.9	R1247	E1243-R1247 WeakPolarHBondContact O-CB 3.32Å; E1243-R1247 VanDerWaalsContact O-CG 3.26Å; E1243-R1247 WeakPolarHBondContact O-CG 3.2Å; E1243-R1247 PolarHBondContact O-N 3Å; E1243-R1247 VanDerWaalsContact O-N 3.12Å; E1243-R1247 IonicContact OE1-CZ 3.11Å; E1243-R1247 IonicContact OE1-NH1 2.89Å; E1243-R1247 IonicContact OE1-NH2 3.46Å; E1243-R1247 PolarHBondContact OE1-NH2 2.96Å; E1243-R1247 IonicContact OE2-CZ 3.75Å; E1243-R1247 IonicContact OE2-NH1 3.34Å; E1243-R1247 PolarHBondContact OE2-NH1 2.82Å; E1243-R1247 IonicContact OE2-NH2 3.6Å; E1243-R1247 PolarHBondContact OE2-NH2 3.2Å; E1243-R1247 VanDerWaalsContact OE2-NH2 3.15Å
1244	R	63.4	Low	60.3	Low	128 Å²	128	52.5 Å²	52.5	48%	0.483	27%	0.269	S	S	.	.	H	α-helix	trans	-69	-51.7	169.3	-172.3	-174.5	-171.5	145	5.8	112.1	P801 N803 S1242 V1246 R1247 S1248	P801-R1244 PolarHBondContact O-NH1 2.88Å; N803-R1244 PolarHBondContact OD1-NH1 2.96Å; N803-R1244 PolarHBondContact OD1-NH2 3.42Å; S1242-R1244 PolarHBondContact O-N 3.35Å; S1242-R1244 WeakPolarHBondContact OG-CB 3.29Å; S1242-R1244 PolarHBondContact OG-N 2.69Å; R1244-V1246 VanDerWaalsContact C-N 3.32Å; R1244-V1246 PolarHBondContact O-N 2.99Å; R1244-R1247 CarbonylContact O-C 3.55Å; R1244-R1247 WeakPolarHBondContact O-CA 3.24Å; R1244-R1247 WeakPolarHBondContact O-CB 3.44Å; R1244-R1247 PolarHBondContact O-N 2.95Å; R1244-R1247 VanDerWaalsContact O-N 3.12Å; R1244-S1248 WeakPolarHBondContact O-CB 3.2Å; R1244-S1248 PolarHBondContact O-N 2.97Å
1245	D	67.4	Low	62.5	Low	9 Å²	9	56.8 Å²	56.8	5%	0.048	28%	0.284	C	S	.	.	H	α-helix	trans	-70.2	-26.9	179.5	15.3	-58.9	0	0	0	112.3	I1155 I1236 I1241 S1242 S1248 L1249	I1155-D1245 HydrophobicContact CD1-CB 4.1Å; I1236-D1245 WeakPolarHBondContact CG2-OD2 3.19Å; I1241-D1245 HydrophobicContact CG2-CB 3.69Å; I1241-D1245 WeakPolarHBondContact CG2-OD2 3.28Å; S1242-D1245 VanDerWaalsContact CB-OD1 3.24Å; S1242-D1245 WeakPolarHBondContact CB-OD1 3.35Å; S1242-D1245 PolarHBondContact N-OD2 2.98Å; S1242-D1245 PolarHBondContact O-N 2.84Å; S1242-D1245 PolarHBondContact OG-N 3.01Å; S1242-D1245 PolarHBondContact OG-OD1 3.46Å; D1245-S1248 PolarHBondContact O-N 2.98Å; D1245-L1249 WeakPolarHBondContact O-CB 3.5Å; D1245-L1249 VanDerWaalsContact O-CG 3.31Å; D1245-L1249 WeakPolarHBondContact O-CG 3.4Å; D1245-L1249 PolarHBondContact O-N 3.37Å
1246	V	73	Confident	64	Low	9 Å²	9	60.9 Å²	60.9	6%	0.055	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-48.4	165.6	-175	0	0	0	0	110.3	P935 V939 I1241 S1242 R1244 S1248 L1250	P935-V1246 HydrophobicContact CB-CG1 3.67Å; V939-V1246 HydrophobicContact CG2-CG1 3.99Å; I1241-V1246 HydrophobicContact CB-CG2 3.56Å; I1241-V1246 HydrophobicContact CD1-CG2 3.84Å; I1241-V1246 HydrophobicContact CG1-CG2 4.34Å; I1241-V1246 HydrophobicContact CG2-CB 4.38Å; I1241-V1246 HydrophobicContact CG2-CG2 3.52Å; S1242-V1246 PolarHBondContact O-N 2.83Å; R1244-V1246 VanDerWaalsContact C-N 3.32Å; R1244-V1246 PolarHBondContact O-N 2.99Å; V1246-S1248 VanDerWaalsContact C-N 3.29Å; V1246-S1248 PolarHBondContact O-N 2.97Å; V1246-L1250 WeakPolarHBondContact O-CB 3.33Å; V1246-L1250 PolarHBondContact O-N 3.32Å
1247	R	74.7	Confident	65.4	Low	109 Å²	109	63.1 Å²	63.1	41%	0.411	31%	0.314	S	S	.	.	H	α-helix	trans	-65.5	-29.5	176.5	-76.4	179.8	-176.1	105.3	7.4	112.9	E1243 R1244 S1251	E1243-R1247 WeakPolarHBondContact O-CB 3.32Å; E1243-R1247 VanDerWaalsContact O-CG 3.26Å; E1243-R1247 WeakPolarHBondContact O-CG 3.2Å; E1243-R1247 PolarHBondContact O-N 3Å; E1243-R1247 VanDerWaalsContact O-N 3.12Å; E1243-R1247 IonicContact OE1-CZ 3.11Å; E1243-R1247 IonicContact OE1-NH1 2.89Å; E1243-R1247 IonicContact OE1-NH2 3.46Å; E1243-R1247 PolarHBondContact OE1-NH2 2.96Å; E1243-R1247 IonicContact OE2-CZ 3.75Å; E1243-R1247 IonicContact OE2-NH1 3.34Å; E1243-R1247 PolarHBondContact OE2-NH1 2.82Å; E1243-R1247 IonicContact OE2-NH2 3.6Å; E1243-R1247 PolarHBondContact OE2-NH2 3.2Å; E1243-R1247 VanDerWaalsContact OE2-NH2 3.15Å; R1244-R1247 CarbonylContact O-C 3.55Å; R1244-R1247 WeakPolarHBondContact O-CA 3.24Å; R1244-R1247 WeakPolarHBondContact O-CB 3.44Å; R1244-R1247 PolarHBondContact O-N 2.95Å; R1244-R1247 VanDerWaalsContact O-N 3.12Å; R1247-S1251 VanDerWaalsContact O-CB 3.23Å; R1247-S1251 WeakPolarHBondContact O-CB 3.34Å; R1247-S1251 PolarHBondContact O-N 3.08Å
1248	S	77.4	Confident	67.1	Low	52 Å²	52	63.5 Å²	63.5	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-76.2	-50.6	178.8	-155.8	0	0	0	0	110.9	R1244 D1245 V1246 L1250 S1251 D1252	R1244-S1248 WeakPolarHBondContact O-CB 3.2Å; R1244-S1248 PolarHBondContact O-N 2.97Å; D1245-S1248 PolarHBondContact O-N 2.98Å; V1246-S1248 VanDerWaalsContact C-N 3.29Å; V1246-S1248 PolarHBondContact O-N 2.97Å; S1248-L1250 PolarHBondContact O-N 2.88Å; S1248-S1251 CarbonylContact O-C 3.42Å; S1248-S1251 WeakPolarHBondContact O-CA 3.36Å; S1248-S1251 WeakPolarHBondContact O-CB 3.49Å; S1248-S1251 PolarHBondContact O-N 3.09Å; S1248-D1252 PolarHBondContact O-N 2.8Å
1249	L	80.2	Confident	68.9	Low	4 Å²	4	64 Å²	64	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-56	-42.2	172.6	-73.3	171.3	0	0	0	111.4	F1116 M1152 I1155 D1245 S1251 A1253	F1116-L1249 HydrophobicContact CD1-CD1 4.25Å; F1116-L1249 HydrophobicContact CE1-CD1 4.02Å; M1152-L1249 HydrophobicContact CG-CD1 3.86Å; M1152-L1249 HydrophobicContact CG-CD2 4.12Å; I1155-L1249 HydrophobicContact CD1-CD1 4.16Å; I1155-L1249 HydrophobicContact CD1-CD2 3.84Å; I1155-L1249 HydrophobicContact CD1-CG 3.86Å; D1245-L1249 WeakPolarHBondContact O-CB 3.5Å; D1245-L1249 VanDerWaalsContact O-CG 3.31Å; D1245-L1249 WeakPolarHBondContact O-CG 3.4Å; D1245-L1249 PolarHBondContact O-N 3.37Å; L1249-S1251 VanDerWaalsContact C-N 3.32Å; L1249-A1253 WeakPolarHBondContact O-CB 3.47Å; L1249-A1253 PolarHBondContact O-N 2.78Å
1250	L	81.5	Confident	70.6	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-74.3	-18	174.7	-171.5	66	0	0	0	113.3	P935 M938 V939 L942 V1246 S1248 L1254	P935-L1250 HydrophobicContact CB-CD2 3.79Å; P935-L1250 HydrophobicContact CG-CD2 4.47Å; M938-L1250 HydrophobicContact CB-CD1 3.85Å; M938-L1250 HydrophobicContact CB-CD2 4.07Å; M938-L1250 HydrophobicContact CE-CD2 4.33Å; M938-L1250 HydrophobicContact CG-CD2 4.42Å; M938-L1250 HydrophobicContact SD-CD1 4.41Å; M938-L1250 HydrophobicContact SD-CD2 3.7Å; V939-L1250 HydrophobicContact CG2-CB 4.07Å; V939-L1250 HydrophobicContact CG2-CD1 4.36Å; L942-L1250 HydrophobicContact CD1-CD1 4.05Å; V1246-L1250 WeakPolarHBondContact O-CB 3.33Å; V1246-L1250 PolarHBondContact O-N 3.32Å; S1248-L1250 PolarHBondContact O-N 2.88Å; L1250-L1254 HydrophobicContact CD1-CD1 3.83Å; L1250-L1254 HydrophobicContact CD1-CD2 4.44Å; L1250-L1254 HydrophobicContact CD1-CG 3.98Å; L1250-L1254 HydrophobicContact CG-CD1 3.88Å; L1250-L1254 HydrophobicContact CG-CG 4.32Å; L1250-L1254 VanDerWaalsContact O-CB 3.25Å; L1250-L1254 WeakPolarHBondContact O-CB 3.41Å; L1250-L1254 VanDerWaalsContact O-CD1 3.3Å; L1250-L1254 WeakPolarHBondContact O-CD1 3.43Å; L1250-L1254 WeakPolarHBondContact O-CG 3.39Å; L1250-L1254 PolarHBondContact O-N 3.13Å
1251	S	79.7	Confident	72.1	Confident	41 Å²	41	54.4 Å²	54.4	29%	0.287	26%	0.264	S	S	.	.	H	α-helix	trans	-82.6	-39.2	171.6	-171.4	0	0	0	0	110.8	R1247 S1248 L1249 K1255	R1247-S1251 VanDerWaalsContact O-CB 3.23Å; R1247-S1251 WeakPolarHBondContact O-CB 3.34Å; R1247-S1251 PolarHBondContact O-N 3.08Å; S1248-S1251 CarbonylContact O-C 3.42Å; S1248-S1251 WeakPolarHBondContact O-CA 3.36Å; S1248-S1251 WeakPolarHBondContact O-CB 3.49Å; S1248-S1251 PolarHBondContact O-N 3.09Å; L1249-S1251 VanDerWaalsContact C-N 3.32Å; S1251-K1255 WeakPolarHBondContact O-CB 3.44Å; S1251-K1255 WeakPolarHBondContact O-CG 3.5Å; S1251-K1255 PolarHBondContact O-N 3.31Å
1252	D	79.9	Confident	73	Confident	45 Å²	45	56.1 Å²	56.1	24%	0.241	27%	0.272	C	S	.	.	H	α-helix	trans	-69.1	-51.2	178.7	-66.2	6.3	0	0	0	109.4	R1154 S1248 L1254 K1255 L1256	R1154-D1252 IonicContact CZ-OD2 2.73Å; R1154-D1252 IonicContact NH1-OD2 2.71Å; R1154-D1252 IonicContact NH2-OD2 2.66Å; R1154-D1252 PolarHBondContact NH2-OD2 3.48Å; S1248-D1252 PolarHBondContact O-N 2.8Å; D1252-L1254 PolarHBondContact O-N 2.88Å; D1252-L1254 VanDerWaalsContact O-N 3.16Å; D1252-K1255 PolarHBondContact O-N 2.88Å; D1252-L1256 WeakPolarHBondContact O-CG 3.37Å; D1252-L1256 PolarHBondContact O-N 3.04Å
1253	A	78.9	Confident	74.1	Confident	4 Å²	4	58.6 Å²	58.6	3%	0.033	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	7.1	177.7	0	0	0	0	0	115	L1148 L1249	L1148-A1253 HydrophobicContact CB-CB 3.69Å; L1249-A1253 WeakPolarHBondContact O-CB 3.47Å; L1249-A1253 PolarHBondContact O-N 2.78Å
1254	L	79.8	Confident	75	Confident	19 Å²	19	54.2 Å²	54.2	10%	0.099	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	1.9	162.5	-61.4	179.7	0	0	0	112.2	V872 L875 R876 L1250 D1252	V872-L1254 HydrophobicContact CB-CD2 4.28Å; V872-L1254 HydrophobicContact CG1-CD2 3.84Å; V872-L1254 HydrophobicContact CG2-CD2 4.41Å; L875-L1254 HydrophobicContact CB-CD2 4.11Å; R876-L1254 HydrophobicContact CG-CB 4.15Å; R876-L1254 HydrophobicContact CG-CD2 4.12Å; R876-L1254 PolarHBondContact NE-O 2.94Å; R876-L1254 PolarHBondContact NH2-O 2.86Å; L1250-L1254 HydrophobicContact CD1-CD1 3.83Å; L1250-L1254 HydrophobicContact CD1-CD2 4.44Å; L1250-L1254 HydrophobicContact CD1-CG 3.98Å; L1250-L1254 HydrophobicContact CG-CD1 3.88Å; L1250-L1254 HydrophobicContact CG-CG 4.32Å; L1250-L1254 VanDerWaalsContact O-CB 3.25Å; L1250-L1254 WeakPolarHBondContact O-CB 3.41Å; L1250-L1254 VanDerWaalsContact O-CD1 3.3Å; L1250-L1254 WeakPolarHBondContact O-CD1 3.43Å; L1250-L1254 WeakPolarHBondContact O-CG 3.39Å; L1250-L1254 PolarHBondContact O-N 3.13Å; D1252-L1254 PolarHBondContact O-N 2.88Å; D1252-L1254 VanDerWaalsContact O-N 3.16Å
1255	K	76.9	Confident	76	Confident	164 Å²	164	48 Å²	48	71%	0.713	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-41.1	169.1	-84.6	176.6	175.1	-173.9	0	110.6	S1251 D1252	S1251-K1255 WeakPolarHBondContact O-CB 3.44Å; S1251-K1255 WeakPolarHBondContact O-CG 3.5Å; S1251-K1255 PolarHBondContact O-N 3.31Å; D1252-K1255 PolarHBondContact O-N 2.88Å
1256	L	62.9	Low	76.8	Confident	119 Å²	119	51.5 Å²	51.5	62%	0.623	26%	0.259	S	S	*	.			trans	-58.1	0	147.7	-55.8	169.9	0	0	0	107.7	R876 D1252	R876-L1256 PolarHBondContact NH2-O 3.5Å; R876-L1256 PolarHBondContact NH2-OXT 3.37Å; D1252-L1256 WeakPolarHBondContact O-CG 3.37Å; D1252-L1256 PolarHBondContact O-N 3.04Å

Retrieved 1,256 of 1,256 residues in 316.2 ms (Link to these results)

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