A0A3Q0KQL5_SCHMA Loading...

Putative multiple pdz domain protein

AlphaFold DB , UniProt , Accession A0A3Q0KQL5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,600 aa.

						>A0A3Q0KQL5_SCHMA|A0A3Q0KQL5
MLNRVANLGSNSQIPRGNTLTNERNSEKKRKSIFRTSRSASKSRQNISSSAIWNNHNSSNIRYNNRDNENFSYPKDLSWEQIVTNDGFKKHFLKIFCEKVREGDHFKTIRINGSTTAGSVVKELVDTYYLKYGTRDDFCLYEIIGHIQPVSSPNLSATPIWSFTERNTRQIDLNENIISLLQNTIPGYGLCRRLELRPVNNGYNTTGSMFMKESRSVDCSQASLRGSVSASQTTLNSSRSCTPVNGITLFKDSRRGRAFRGVQIPNGPYFLLLRGNQPDRDVLLHDVTKLIIDNAMQSYMTIGYGKHVDIRLYPTPSELNSSQGDCIIAKVVGYNVINTSNNSSKESLVFLEPWDQGIDPTVSSTGTITSNSFHRIQDNIEIYVNDVLVKPSYSLKFQRQQLRPGDLIFFGSRKRGYVYLFKDPRCIPDHKLELSFTKNDAGGINNMEINRNVKNIKASVSDDNDITPRSSGHDNFSVHSSSVLEDMKQFKAIPALNELEWIIEPLLVPLKLSDSASLSTSISTSFLSSSISQKLISLDALGAWDIKTDSILEPWRSACLLSLLIRAIGLTKLRNDNTNITTYSVITHESNNNIVKNGMNTKNSGSNILRSNSIEDLFKQITSILSNYQKRAELTESGRIVFQFWLSLFFYDLATYLTPNWLTHDIKSPSVGTVDGKDNTSSSISQPTTPGSENRHQNTSKSDLSLNHLFGELLAPETLAEIEEIRKLSYTLADQIIDQLIKTTCHSISPYISALYQSCPHDSPLHSQPDRIYLASSTEWTSSRSELSKWLDRLASCFDAAFYPSGGTSMSVLNDNENLSINSDSVHSFLSNKSQSGISFNNRVNNQQHYRRTYQQSNHLLPNLQKNSETSDLSMSGGESDMDNEYYSGYNKPVQLKNLNVPDDEVFSTDCSKHNTMQSIDNSLSHHPMNSTMNRLEAIFWRRLLANISYEILNTILFTGTVKIDHETGTHLLNGINWLDSWLRIRRLDKHKRPLNILIQVANLLATPRKQLLKMTWNEMREAHSYIPPALLRFLLEEYEEGFGAQNANSWSIDEKDAAVVDEDPTDLIEIALKGWRSKERLLPGKTHTNQSPIYKPMDPYGLCIQSAMQNCIIQLDGKLSAIQSPLIYFRWQELMREFPPPRVMPQIHINHNHTFNRSTIRNKLAVANRKRLPIRSTNGRMSTSPSVMNQNSTLIENSEFSPLPNKTQTSQFDNSVKSIDQTSKFFNDMKPKPSSGEPVWCGNHSSGMNNPQDTSMDSKQKALYYLKGLAASIGGIDLIDNANGDHDFLPSESKYSNNPQMGSKVNYYPQENVYHSQVFNRKVISPHWPNQMLETNRTEIPVSPWYHDPRLQVPNGLSQSLGDFNNGFRPPSNAPSLSRLNIDQLNETANDWKQYRMSLLGQGLDKIRTSKAGSRSVTPRLISNRNVSSSMSNLTINQFKVPDMIIQEAADNISEVVSELDRGRDTDSDAMSSVNLLDINPERALSDVLTRSGLGNSVSNVTLYKEPNSGFGLVLVDGERTSLDQPGIFVKSVAPNSVAEMNGTFRLGDRILAINGRDLTSMTYKDALALLRQCVNQTTFTVLRCNLPDPQALLKRKEI
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	22.9	Very low	24.8	Very low	228 Å²	228	151.5 Å²	151.5	100%	1.123	84%	0.841	S	S	*	*				0	-30.7	0	-90.3	-176.7	166.2	0	0	114.3	N3 R4	M1-N3 VanDerWaalsContact C-N 3.29Å; M1-N3 PolarHBondContact O-N 2.7Å; M1-R4 PolarHBondContact O-N 3.34Å
2	L	23.8	Very low	24.7	Very low	159 Å²	159	146 Å²	146	83%	0.832	82%	0.821	S	S	*	*	G	3₁₀ helix	trans	-53.1	-36.4	-176.7	-82.8	152.1	0	0	0	115.3	R4	L2-R4 PolarHBondContact O-N 3.29Å
3	N	22	Very low	24.6	Very low	160 Å²	160	147.5 Å²	147.5	86%	0.856	82%	0.817	S	S	*	*	G	3₁₀ helix	trans	-76.5	26.2	-177.3	-61.8	23.2	0	0	0	115.6	M1	M1-N3 VanDerWaalsContact C-N 3.29Å; M1-N3 PolarHBondContact O-N 2.7Å
4	R	25.2	Very low	24.5	Very low	233 Å²	233	148.3 Å²	148.3	88%	0.879	82%	0.817	S	S	*	*	G	3₁₀ helix	trans	-134	7.2	174.7	-108.3	-173.4	-174.7	-174.4	2.3	116.5	M1 L2	M1-R4 PolarHBondContact O-N 3.34Å; L2-R4 PolarHBondContact O-N 3.29Å
5	V	29.1	Very low	24.6	Very low	131 Å²	131	146.7 Å²	146.7	79%	0.794	82%	0.816	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	-13.6	174.1	-173.5	0	0	0	0	112.3	N7	V5-N7 VanDerWaalsContact C-N 3.29Å; V5-N7 PolarHBondContact O-N 3.15Å
6	A	27.9	Very low	24.4	Very low	86 Å²	86	152.5 Å²	152.5	71%	0.711	82%	0.822	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-8.7	-179.3	0	0	0	0	0	115.6
7	N	24.2	Very low	24.4	Very low	150 Å²	150	148 Å²	148	80%	0.802	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	28.9	-167.3	-88.5	29.1	0	0	0	115	V5	V5-N7 VanDerWaalsContact C-N 3.29Å; V5-N7 PolarHBondContact O-N 3.15Å
8	L	27.3	Very low	24.3	Very low	173 Å²	173	147.9 Å²	147.9	91%	0.906	82%	0.818	S	S	*	*			trans	-131.6	60.1	170.9	-72.7	176.4	0	0	0	111.7
9	G	22	Very low	24.2	Very low	61 Å²	61	146.7 Å²	146.7	63%	0.629	82%	0.815	S	S	*	*			trans	-85	167.3	160.9	0	0	0	0	0	111.9
10	S	22.9	Very low	24.3	Very low	117 Å²	117	148 Å²	148	82%	0.818	82%	0.819	S	S	*	*			trans	50.8	100.3	167.1	53.6	0	0	0	0	118
11	N	25.7	Very low	24.3	Very low	168 Å²	168	146.6 Å²	146.6	90%	0.898	82%	0.815	S	S	*	*				-148.5	159.1	123.3	-113.1	-20.7	0	0	0	111.8
12	S	22.9	Very low	24.4	Very low	86 Å²	86	142.8 Å²	142.8	60%	0.601	80%	0.799	S	S	*	*			trans	-99.1	160.9	-149.2	50.8	0	0	0	0	116.9
13	Q	23.5	Very low	24.3	Very low	165 Å²	165	142 Å²	142	77%	0.771	79%	0.791	S	S	*	*			trans	63.1	109.3	145	-71.7	157.3	-11.8	0	0	120.6
14	I	22.9	Very low	24.4	Very low	159 Å²	159	143.8 Å²	143.8	82%	0.815	79%	0.786	S	S	*	*				30.1	117.7	103.1	-59.8	173.2	0	0	0	114.3
15	P	26.2	Very low	24.5	Very low	124 Å²	124	139.6 Å²	139.6	81%	0.805	78%	0.781	S	S	*	*				-144	171.9	79.7	39.5	-23.2	0	0	0	118.2
16	R	21.4	Very low	24.2	Very low	240 Å²	240	138 Å²	138	91%	0.906	78%	0.776	S	S	*	*			trans	-67	146.5	178.7	-59.3	163.1	174.5	144.5	-5	112
17	G	24.7	Very low	24	Very low	76 Å²	76	140.7 Å²	140.7	78%	0.784	77%	0.773	S	S	*	*			trans	-134.4	128.1	161.7	0	0	0	0	0	109.3
18	N	22.5	Very low	24.2	Very low	147 Å²	147	143.9 Å²	143.9	79%	0.786	78%	0.78	S	S	*	*			trans	-89.1	157.8	-169.1	-90.7	0.3	0	0	0	114.1
19	T	23.5	Very low	24	Very low	124 Å²	124	144 Å²	144	76%	0.761	77%	0.773	S	S	*	*			trans	-22.8	130.6	160	51.9	0	0	0	0	116.3
20	L	25.1	Very low	24.1	Very low	173 Å²	173	152.7 Å²	152.7	91%	0.906	79%	0.787	S	S	*	*			trans	-127	113.4	149.7	-91.6	172.4	0	0	0	110
21	T	24.5	Very low	24.2	Very low	118 Å²	118	156.7 Å²	156.7	72%	0.724	79%	0.79	S	S	*	*			trans	-80.8	138.4	170.5	46.3	0	0	0	0	110.2
22	N	24.4	Very low	24	Very low	148 Å²	148	153.9 Å²	153.9	79%	0.791	78%	0.783	S	S	*	*			trans	-154.7	105.1	149.5	-96.2	-37.5	0	0	0	110.6
23	E	23	Very low	24	Very low	143 Å²	143	157.5 Å²	157.5	67%	0.668	79%	0.794	S	S	*	*				3.4	135	129.6	-43.6	-174.5	149.9	0	0	118.5
24	R	23.9	Very low	24	Very low	198 Å²	198	158.6 Å²	158.6	75%	0.747	80%	0.797	S	S	*	*				176.8	140.6	94.9	-97.5	168.6	-165.9	-170.9	0.8	113.7
25	N	26.4	Very low	23.9	Very low	145 Å²	145	163 Å²	163	78%	0.775	80%	0.803	S	S	*	*			trans	62.9	151.7	145.5	-57.9	-3.8	0	0	0	119.8
26	S	23.7	Very low	23.9	Very low	98 Å²	98	162.9 Å²	162.9	69%	0.685	80%	0.8	S	S	*	*			cis	-169.3	138.1	-29.2	50.7	0	0	0	0	109.1
27	E	24	Very low	24	Very low	141 Å²	141	156.8 Å²	156.8	66%	0.659	80%	0.795	S	S	*	*			trans	32	107.3	157.5	-60.1	-158	108.1	0	0	121	K29	E27-K29 WeakPolarHBondContact OE1-CE 3.47Å; E27-K29 IonicContact OE1-NZ 2.7Å; E27-K29 PolarHBondContact OE1-NZ 3.21Å
28	K	28.2	Very low	23.9	Very low	218 Å²	218	165 Å²	165	95%	0.948	80%	0.802	S	S	*	*			trans	-133.5	82.6	136.2	-77.5	-164.7	177.3	172.9	0	111.9	R30	K28-R30 PolarHBondContact O-N 3.12Å
29	K	23.4	Very low	24	Very low	174 Å²	174	163 Å²	163	76%	0.757	80%	0.8	S	S	*	*			trans	-62.1	119.2	167.2	-70.9	164.3	177.3	142.2	0	110.1	E27	E27-K29 WeakPolarHBondContact OE1-CE 3.47Å; E27-K29 IonicContact OE1-NZ 2.7Å; E27-K29 PolarHBondContact OE1-NZ 3.21Å
30	R	23.8	Very low	24	Very low	245 Å²	245	161.4 Å²	161.4	93%	0.925	80%	0.799	S	S	*	*			trans	-155.3	86.3	149.8	-115.8	170.5	-162.4	-157	2.4	113.3	K28	K28-R30 PolarHBondContact O-N 3.12Å
31	K	25.2	Very low	24	Very low	201 Å²	201	158.2 Å²	158.2	87%	0.874	79%	0.791	S	S	*	*			trans	42.2	110.8	151.3	-61	-170.4	175.8	-171.3	0	117.8
32	S	20.9	Very low	23.9	Very low	108 Å²	108	162 Å²	162	76%	0.755	80%	0.797	S	S	*	*			trans	-55	150.1	148.3	47.2	0	0	0	0	111.5
33	I	22.8	Very low	23.9	Very low	163 Å²	163	160.1 Å²	160.1	84%	0.836	80%	0.796	S	S	*	*				-157.5	142.1	127.1	-98.3	152.6	0	0	0	106.9
34	F	23.6	Very low	23.9	Very low	187 Å²	187	164.3 Å²	164.3	82%	0.82	81%	0.805	S	S	*	*			trans	-57.3	140.9	-170.5	-67.5	-103.4	0	0	0	113.4
35	R	21.5	Very low	23.8	Very low	251 Å²	251	163.2 Å²	163.2	95%	0.947	81%	0.809	S	S	*	*			trans	-129.3	112	151.2	-91.3	-171.5	167.8	166.7	-1.2	109.1
36	T	24.5	Very low	23.7	Very low	123 Å²	123	163.5 Å²	163.5	76%	0.755	81%	0.81	S	S	*	*			trans	-68.3	136.1	-178.5	35.4	0	0	0	0	112.2
37	S	24.1	Very low	23.6	Very low	112 Å²	112	166 Å²	166	78%	0.783	81%	0.814	S	S	*	*			trans	11.1	105	145.7	-47.6	0	0	0	0	117.3	S39	S37-S39 PolarHBondContact O-N 3.46Å
38	R	22.4	Very low	23.5	Very low	249 Å²	249	164.1 Å²	164.1	94%	0.94	82%	0.817	S	S	*	*			trans	-79.9	94.6	162.5	-79.6	176.8	163.7	168.7	-6	110.3	A40	R38-A40 PolarHBondContact O-N 3.26Å
39	S	24.3	Very low	23.2	Very low	105 Å²	105	158.8 Å²	158.8	73%	0.734	81%	0.807	S	S	*	*			trans	-69.6	103.7	163.1	37	0	0	0	0	109.8	S37 S41	S37-S39 PolarHBondContact O-N 3.46Å; S39-S41 VanDerWaalsContact C-N 3.32Å; S39-S41 PolarHBondContact O-N 3.17Å; S39-S41 VanDerWaalsContact O-N 3.12Å
40	A	24.5	Very low	23.1	Very low	90 Å²	90	154.7 Å²	154.7	74%	0.744	80%	0.8	S	S	*	*			trans	-88.2	65.2	-176.5	0	0	0	0	0	112	R38 K42	R38-A40 PolarHBondContact O-N 3.26Å; A40-K42 PolarHBondContact O-N 3.05Å; A40-K42 VanDerWaalsContact O-N 3.1Å
41	S	24.4	Very low	23	Very low	106 Å²	106	147.8 Å²	147.8	74%	0.741	80%	0.795	S	S	*	*			trans	-58	109.6	-177.9	-54.8	0	0	0	0	112.1	S39 S43	S39-S41 VanDerWaalsContact C-N 3.32Å; S39-S41 PolarHBondContact O-N 3.17Å; S39-S41 VanDerWaalsContact O-N 3.12Å; S41-S43 PolarHBondContact O-N 3.01Å
42	K	23.5	Very low	22.9	Very low	197 Å²	197	144 Å²	144	86%	0.857	78%	0.784	S	S	*	*			trans	-86.5	84.2	176.8	-74.7	178.2	-178.6	166.6	0	110.6	A40 R44	A40-K42 PolarHBondContact O-N 3.05Å; A40-K42 VanDerWaalsContact O-N 3.1Å; K42-R44 PolarHBondContact O-N 3.32Å
43	S	24.4	Very low	22.8	Very low	109 Å²	109	151 Å²	151	76%	0.762	79%	0.794	S	S	*	*			trans	-58.1	106.2	167.9	54	0	0	0	0	110.7	S41	S41-S43 PolarHBondContact O-N 3.01Å
44	R	21.7	Very low	22.9	Very low	231 Å²	231	149.4 Å²	149.4	87%	0.872	79%	0.787	S	S	*	*			trans	-89.5	101.8	163.2	-87.8	-171.5	164.5	-172	-5.1	108.7	K42 N46	K42-R44 PolarHBondContact O-N 3.32Å; R44-N46 PolarHBondContact O-N 3.21Å
45	Q	23.5	Very low	22.7	Very low	174 Å²	174	146.7 Å²	146.7	81%	0.813	78%	0.781	S	S	*	*			trans	-65.3	97.1	169.3	-66.9	169.1	-45	0	0	108.9	I47	Q45-I47 PolarHBondContact O-N 3.39Å
46	N	22.7	Very low	22.7	Very low	152 Å²	152	142 Å²	142	81%	0.813	77%	0.769	S	S	*	*			trans	-79.1	105.1	165.9	-81.3	-7.5	0	0	0	107.8	R44 S48	R44-N46 PolarHBondContact O-N 3.21Å; N46-S48 PolarHBondContact O-N 3.21Å; N46-S48 VanDerWaalsContact O-N 3.13Å
47	I	21.9	Very low	22.6	Very low	150 Å²	150	142.9 Å²	142.9	77%	0.769	77%	0.769	S	S	*	*			trans	-70.4	107	-177.8	-63.7	167	0	0	0	108.6	Q45 S49	Q45-I47 PolarHBondContact O-N 3.39Å; I47-S49 PolarHBondContact O-N 2.7Å
48	S	22.6	Very low	22.5	Very low	101 Å²	101	141.3 Å²	141.3	71%	0.706	76%	0.758	S	S	*	*			trans	-71.7	93	171	-174.9	0	0	0	0	109.5	N46 S50	N46-S48 PolarHBondContact O-N 3.21Å; N46-S48 VanDerWaalsContact O-N 3.13Å; S48-S50 PolarHBondContact O-N 3.05Å
49	S	21.7	Very low	22.4	Very low	106 Å²	106	134.4 Å²	134.4	74%	0.741	75%	0.748	S	S	*	*			trans	-80.1	56.1	177.8	63.2	0	0	0	0	111.9	I47 A51	I47-S49 PolarHBondContact O-N 2.7Å; S49-A51 PolarHBondContact O-N 3.25Å
50	S	21.1	Very low	22.3	Very low	89 Å²	89	135.4 Å²	135.4	62%	0.622	75%	0.745	S	S	*	*			trans	-78.1	65.4	173.2	53.6	0	0	0	0	111	S48 I52	S48-S50 PolarHBondContact O-N 3.05Å; S50-I52 PolarHBondContact O-N 3.38Å
51	A	21.5	Very low	22.3	Very low	99 Å²	99	138.5 Å²	138.5	82%	0.818	75%	0.748	S	S	*	*			trans	-84.4	89.2	178.6	0	0	0	0	0	111.1	S49	S49-A51 PolarHBondContact O-N 3.25Å
52	I	22.4	Very low	22.1	Very low	122 Å²	122	140.2 Å²	140.2	63%	0.626	74%	0.738	S	S	*	*			trans	-86.5	113.2	176.5	-58.5	167.1	0	0	0	109.8	S50	S50-I52 PolarHBondContact O-N 3.38Å
53	W	20.1	Very low	22.2	Very low	256 Å²	256	139.9 Å²	139.9	97%	0.97	73%	0.733	S	S	*	*			trans	-134.4	117.9	154.2	-74.1	-20.3	0	0	0	105.7
54	N	23.5	Very low	22.1	Very low	128 Å²	128	138 Å²	138	68%	0.684	71%	0.714	S	S	*	*			cis	66.1	124.7	37.2	-72.8	2.2	0	0	0	115.3
55	N	21	Very low	22.2	Very low	130 Å²	130	130.8 Å²	130.8	70%	0.695	69%	0.693	S	S	*	*			trans	96.8	136.5	176.9	-57.4	-0.3	0	0	0	116.2
56	H	21.9	Very low	22.3	Very low	152 Å²	152	133.6 Å²	133.6	70%	0.704	70%	0.696	S	S	*	*			cis	-168.4	-179.3	-32.5	-114.2	-49.5	0	0	0	107.3
57	N	21.3	Very low	22.5	Very low	143 Å²	143	133.7 Å²	133.7	77%	0.765	70%	0.696	S	S	*	*			trans	50.4	103.7	157.3	-58.8	-4.5	0	0	0	119.4
58	S	21.6	Very low	22.9	Very low	78 Å²	78	134.8 Å²	134.8	55%	0.545	70%	0.704	S	S	.	*			trans	-149.2	70.8	141.3	71.8	0	0	0	0	109.9	K89	S58-K89 PolarHBondContact OG-NZ 2.88Å
59	S	20.8	Very low	23.1	Very low	104 Å²	104	138 Å²	138	73%	0.727	71%	0.707	S	S	*	*			trans	-75.6	123.8	175	50.2	0	0	0	0	111
60	N	22.9	Very low	23.6	Very low	127 Å²	127	139.7 Å²	139.7	68%	0.679	71%	0.709	S	S	*	*			trans	42.5	109.3	147.3	-59.4	-2.8	0	0	0	118.9
61	I	24.3	Very low	24	Very low	154 Å²	154	143.5 Å²	143.5	79%	0.79	71%	0.714	S	S	*	*			trans	-103.7	103.6	152.2	-62.6	179.2	0	0	0	107.9	Y63	I61-Y63 PolarHBondContact O-N 2.59Å
62	R	20.4	Very low	25	Very low	142 Å²	142	143.2 Å²	143.2	54%	0.536	71%	0.706	S	S	.	*			trans	-70.9	118.2	167.6	-89.3	174	168	169.9	-3.4	108.8	N64 N707 H708	R62-N64 PolarHBondContact O-N 2.78Å; R62-N707 PolarHBondContact NE-O 3.42Å; R62-N707 PolarHBondContact NH2-O 3.28Å; R62-H708 PolarHBondContact NH1-CD2 2.88Å; R62-H708 VanDerWaalsContact NH1-CD2 3.28Å; R62-H708 PolarHBondContact NH1-NE2 2.99Å; R62-H708 PolarHBondContact NH2-CE1 3.47Å; R62-H708 PolarHBondContact NH2-NE2 2.91Å
63	Y	25.1	Very low	26.3	Very low	191 Å²	191	142.2 Å²	142.2	75%	0.749	70%	0.695	S	S	*	*			trans	-75.7	119.3	166	-92	-92.7	0	0	0	110	I61 N707	I61-Y63 PolarHBondContact O-N 2.59Å; Y63-N707 PolarHBondContact O-ND2 3.08Å
64	N	22.9	Very low	28.1	Very low	70 Å²	70	133.4 Å²	133.4	37%	0.374	67%	0.671	S	S	.	*			trans	-153.3	107.8	159.4	-109.3	-4	0	0	0	107.7	R62 S705 N707	R62-N64 PolarHBondContact O-N 2.78Å; N64-S705 VanDerWaalsContact CG-OG 3.27Å; N64-S705 VanDerWaalsContact ND2-C 3.33Å; N64-S705 WeakPolarHBondContact ND2-CB 3.5Å; N64-S705 PolarHBondContact ND2-O 2.69Å; N64-S705 PolarHBondContact ND2-OG 2.96Å; N64-N707 WeakPolarHBondContact CB-ND2 3.47Å; N64-N707 VanDerWaalsContact CG-CG 3.46Å; N64-N707 VanDerWaalsContact ND2-CB 3.31Å; N64-N707 WeakPolarHBondContact ND2-CB 3.35Å; N64-N707 PolarHBondContact ND2-ND2 3.4Å; N64-N707 VanDerWaalsContact ND2-ND2 3.19Å
65	N	22.6	Very low	30.2	Very low	79 Å²	79	131.9 Å²	131.9	42%	0.422	66%	0.658	S	S	.	*				174.3	171.2	113	-81.9	-24	0	0	0	109.8	D703 S705	N65-D703 PolarHBondContact ND2-OD1 2.97Å; N65-D703 VanDerWaalsContact ND2-OD1 3.17Å; N65-D703 PolarHBondContact ND2-OD2 2.78Å; N65-S705 WeakPolarHBondContact OD1-CB 3.49Å; N65-S705 PolarHBondContact OD1-OG 2.96Å
66	R	26.5	Very low	33	Very low	233 Å²	233	127.6 Å²	127.6	88%	0.879	64%	0.635	S	S	*	*			trans	-80.1	124.9	175.3	-61.1	170.4	-178.2	160.3	-0.7	108
67	D	25.9	Very low	35.6	Very low	153 Å²	153	122.7 Å²	122.7	82%	0.818	61%	0.614	S	S	*	*				-174.6	155.5	119.3	-87.6	-18	0	0	0	109.9	E69	D67-E69 PolarHBondContact O-N 3.18Å
68	N	30.9	Very low	38.5	Very low	173 Å²	173	115.9 Å²	115.9	93%	0.925	58%	0.578	S	S	*	*			trans	-83.1	79.4	-164.7	-78.8	-34.2	0	0	0	113.7
69	E	27.7	Very low	41.4	Very low	168 Å²	168	114.8 Å²	114.8	79%	0.785	56%	0.562	S	S	*	*			trans	-133.2	133.4	160.4	-73.8	-158.3	-178.6	0	0	113.8	D67	D67-E69 PolarHBondContact O-N 3.18Å
70	N	31.3	Very low	43.9	Very low	143 Å²	143	112 Å²	112	77%	0.765	54%	0.537	S	S	*	.			trans	57.2	83	162.2	-60.5	-51.6	0	0	0	117.9	S72	N70-S72 PolarHBondContact O-N 3.28Å; N70-S72 VanDerWaalsContact O-N 3.08Å
71	F	30.1	Very low	46.3	Very low	169 Å²	169	109.6 Å²	109.6	74%	0.741	52%	0.522	S	S	*	.			trans	-50.7	110.7	163.6	-126	-95.1	0	0	0	111.1	Y73 W161	F71-Y73 VanDerWaalsContact O-CD2 3.31Å; F71-Y73 WeakPolarHBondContact O-CD2 3.24Å; F71-Y73 PolarHBondContact O-N 2.82Å; F71-W161 HydrophobicContact CD1-CH2 4.41Å; F71-W161 HydrophobicContact CE1-CZ2 4.33Å
72	S	40.9	Very low	48	Very low	93 Å²	93	104.2 Å²	104.2	65%	0.65	49%	0.494	S	S	*	.			trans	-78.4	93.5	179.8	175.7	0	0	0	0	111.4	N70	N70-S72 PolarHBondContact O-N 3.28Å; N70-S72 VanDerWaalsContact O-N 3.08Å
73	Y	50.9	Low	49.8	Very low	101 Å²	101	100.9 Å²	100.9	40%	0.396	49%	0.489	S	S	.	.			trans	-46.3	130.1	174.5	-63.8	-98.5	0	0	0	112.1	F71 K75 I147 W161	F71-Y73 VanDerWaalsContact O-CD2 3.31Å; F71-Y73 WeakPolarHBondContact O-CD2 3.24Å; F71-Y73 PolarHBondContact O-N 2.82Å; Y73-K75 PolarHBondContact O-N 3.12Å; Y73-K75 VanDerWaalsContact O-N 3.07Å; Y73-I147 WeakPolarHBondContact CE1-O 3.3Å; Y73-W161 HydrophobicContact CD1-CZ3 4.44Å; Y73-W161 AromaticContact CE1-CZ3 3.95Å; Y73-W161 HydrophobicContact CE1-CZ3 3.95Å
74	P	56.5	Low	50.8	Low	70 Å²	70	93 Å²	93	46%	0.455	46%	0.461	S	S	.	.			trans	-68.4	110.5	-177.6	26.6	-33.3	0	0	0	110.2	D76 L77 I147 C191	P74-D76 VanDerWaalsContact C-N 3.29Å; P74-D76 PolarHBondContact O-N 2.97Å; P74-L77 HydrophobicContact CG-CD2 4.11Å; P74-I147 HydrophobicContact CG-CD1 3.71Å; P74-C191 WeakPolarHBondContact O-CB 3.39Å; P74-C191 PolarHBondContact O-SG 3.19Å
75	K	69.6	Low	51.7	Low	96 Å²	96	94 Å²	94	42%	0.417	47%	0.467	S	S	.	.	S	Bend	trans	-61.4	-35.3	-175.5	-68.2	-175.8	-178	-179.6	0	112.8	Y73 I185 P186 C191 R192	Y73-K75 PolarHBondContact O-N 3.12Å; Y73-K75 VanDerWaalsContact O-N 3.07Å; K75-I185 HydrophobicContact CD-CG2 4.04Å; K75-P186 HydrophobicContact CB-CG 3.96Å; K75-P186 VanDerWaalsContact O-CG 3.32Å; K75-P186 WeakPolarHBondContact O-CG 3.27Å; K75-C191 CarbonylContact O-C 3.6Å; K75-C191 WeakPolarHBondContact O-CA 3.12Å; K75-R192 PolarHBondContact O-N 2.83Å
76	D	78	Confident	53.1	Low	41 Å²	41	94 Å²	94	22%	0.219	47%	0.467	C	S	.	.	B	Isolated β-bridge	trans	-121.6	124.2	178.2	-85.8	-67.3	0	0	0	111	P74 W79 R192	P74-D76 VanDerWaalsContact C-N 3.29Å; P74-D76 PolarHBondContact O-N 2.97Å; D76-W79 HydrophobicContact CB-CB 4.37Å; D76-R192 IonicContact OD1-CZ 3.17Å; D76-R192 IonicContact OD1-NE 3.99Å; D76-R192 PolarHBondContact OD1-NE 3.46Å; D76-R192 IonicContact OD1-NH2 3.12Å; D76-R192 PolarHBondContact OD1-NH2 3.29Å; D76-R192 IonicContact OD2-CZ 3.12Å; D76-R192 IonicContact OD2-NE 3.63Å; D76-R192 IonicContact OD2-NH2 2.7Å; D76-R192 PolarHBondContact OD2-NH2 3.48Å
77	L	77.5	Confident	54.1	Low	48 Å²	48	85.4 Å²	85.4	25%	0.251	45%	0.45	S	S	.	.	S	Bend	trans	-97.9	-22.8	176.7	-69	176.8	0	0	0	113	P74 F96 I147 F163 R192 R193	P74-L77 HydrophobicContact CG-CD2 4.11Å; L77-F96 HydrophobicContact CB-CE2 4.25Å; L77-F96 HydrophobicContact CB-CZ 4.41Å; L77-I147 HydrophobicContact CD1-CD1 3.9Å; L77-I147 HydrophobicContact CD1-CG1 4.15Å; L77-I147 HydrophobicContact CD2-CD1 3.79Å; L77-I147 HydrophobicContact CG-CD1 4.11Å; L77-F163 HydrophobicContact CD1-CD2 3.7Å; L77-F163 HydrophobicContact CD1-CE2 3.95Å; L77-R192 PolarHBondContact N-O 3.32Å; L77-R193 HydrophobicContact CB-CB 4.04Å; L77-R193 HydrophobicContact CD1-CB 4.39Å
78	S	82.9	Confident	55.4	Low	1 Å²	1	85 Å²	85	1%	0.007	44%	0.441	C	S	.	.	S	Bend	trans	-99.8	-5.2	-174	-80.4	0	0	0	0	114.7	L93 K94 F96 L194	S78-L93 CarbonylContact O-C 3.56Å; S78-L93 VanDerWaalsContact O-CA 3.25Å; S78-L93 WeakPolarHBondContact O-CA 3.4Å; S78-L93 WeakPolarHBondContact O-CD1 3.38Å; S78-K94 WeakPolarHBondContact CA-O 3.4Å; S78-K94 WeakPolarHBondContact CB-O 3.46Å; S78-K94 PolarHBondContact O-N 3.02Å; S78-K94 PolarHBondContact OG-O 3.37Å; S78-F96 WeakPolarHBondContact OG-CD2 3.47Å; S78-F96 WeakPolarHBondContact OG-CE2 3.48Å; S78-L194 PolarHBondContact OG-N 3.22Å; S78-L194 PolarHBondContact OG-O 3.43Å
79	W	81	Confident	57	Low	55 Å²	55	80.5 Å²	80.5	21%	0.208	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.9	-172.9	-169.9	45.5	0	0	0	110.7	D76 H91 L181 Q182	D76-W79 HydrophobicContact CB-CB 4.37Å; W79-H91 AromaticContact CE2-CE1 3.9Å; W79-H91 AromaticContact CE2-ND1 3.42Å; W79-H91 AromaticContact CZ2-CE1 3.37Å; W79-H91 WeakPolarHBondContact CZ2-CE1 3.42Å; W79-H91 AromaticContact CZ2-ND1 3.4Å; W79-H91 WeakPolarHBondContact CZ2-ND1 3.49Å; W79-H91 AromaticContact NE1-CG 3.93Å; W79-H91 AromaticContact NE1-ND1 3.11Å; W79-H91 PolarHBondContact NE1-ND1 3.43Å; W79-H91 VanDerWaalsContact NE1-ND1 3.11Å; W79-L181 HydrophobicContact CB-CD1 4.06Å; W79-L181 HydrophobicContact CD2-CB 4.36Å; W79-L181 HydrophobicContact CD2-CD1 4.11Å; W79-L181 HydrophobicContact CE3-CB 4.44Å; W79-L181 HydrophobicContact CG-CD1 3.74Å; W79-Q182 HydrophobicContact CH2-CG 3.87Å; W79-Q182 HydrophobicContact CZ2-CG 4.31Å
80	E	73.9	Confident	58.9	Low	45 Å²	45	74.1 Å²	74.1	21%	0.21	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.9	169.9	-67.6	-172.7	149.5	0	0	108.6	F92 K94 K431	E80-F92 PolarHBondContact N-O 3.22Å; E80-F92 PolarHBondContact O-N 3.32Å; E80-K94 VanDerWaalsContact CD-CE 3.41Å; E80-K94 WeakPolarHBondContact OE1-CE 3.44Å; E80-K94 IonicContact OE1-NZ 3.36Å; E80-K94 PolarHBondContact OE1-NZ 3.22Å; E80-K94 VanDerWaalsContact OE2-CE 3.31Å; E80-K94 WeakPolarHBondContact OE2-CE 3.48Å; E80-K94 IonicContact OE2-NZ 2.77Å; E80-K431 IonicContact OE1-NZ 4Å; E80-K431 PolarHBondContact OE1-NZ 3.03Å; E80-K431 IonicContact OE2-NZ 3.56Å; E80-K431 PolarHBondContact OE2-NZ 3.09Å
81	Q	73.1	Confident	61.1	Low	76 Å²	76	68.3 Å²	68.3	36%	0.355	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	115.4	173.4	-175.7	176	41.5	0	0	107.9	K89 H91	Q81-K89 HydrophobicContact CG-CB 4.18Å; Q81-K89 HydrophobicContact CG-CG 4.18Å; Q81-H91 PolarHBondContact NE2-CE1 2.92Å; Q81-H91 PolarHBondContact NE2-NE2 2.72Å
82	I	60.8	Low	63.5	Low	41 Å²	41	62 Å²	62	21%	0.21	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.5	178.5	-58.4	-177.7	0	0	0	107.6	K89 K90 F92	I82-K89 CarbonylContact O-C 2.99Å; I82-K90 PolarHBondContact N-O 3.35Å; I82-K90 PolarHBondContact O-N 3.38Å; I82-F92 HydrophobicContact CB-CD2 4.21Å; I82-F92 HydrophobicContact CB-CE2 4.11Å; I82-F92 HydrophobicContact CD1-CD2 3.72Å; I82-F92 HydrophobicContact CD1-CE2 3.86Å; I82-F92 HydrophobicContact CG1-CD2 3.91Å; I82-F92 HydrophobicContact CG1-CE2 4.2Å
83	V	56.6	Low	65.5	Low	72 Å²	72	57.5 Å²	57.5	44%	0.436	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.6	166	-171.8	0	0	0	0	106.4	K89	V83-K89 HydrophobicContact CG2-CG 3.93Å
84	T	46.4	Very low	66.9	Low	26 Å²	26	54.6 Å²	54.6	16%	0.16	28%	0.282	C	S	.	.			trans	-90	173.3	171.4	36.4	0	0	0	0	111.7	D86 G87 F88 K90	T84-D86 VanDerWaalsContact CB-OD1 3.23Å; T84-D86 WeakPolarHBondContact CB-OD1 3.27Å; T84-D86 PolarHBondContact O-N 3.02Å; T84-D86 PolarHBondContact OG1-OD1 2.88Å; T84-G87 WeakPolarHBondContact O-CA 3.5Å; T84-G87 PolarHBondContact O-N 2.7Å; T84-F88 PolarHBondContact N-O 3.36Å; T84-F88 VanDerWaalsContact N-O 3.1Å; T84-F88 PolarHBondContact OG1-O 3.39Å; T84-F88 VanDerWaalsContact OG1-O 3.08Å; T84-K90 VanDerWaalsContact CB-NZ 3.32Å; T84-K90 HydrophobicContact CG2-CD 3.67Å; T84-K90 WeakPolarHBondContact OG1-CD 3.41Å; T84-K90 WeakPolarHBondContact OG1-CE 3.39Å; T84-K90 PolarHBondContact OG1-NZ 3.1Å
85	N	41.5	Very low	68.2	Low	92 Å²	92	51.3 Å²	51.3	49%	0.492	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-29.1	-169.2	-51.5	-61.8	0	0	0	112.3	G87 L714 A715 E717	N85-G87 PolarHBondContact O-N 2.84Å; N85-L714 VanDerWaalsContact OD1-CB 3.25Å; N85-L714 WeakPolarHBondContact OD1-CB 3.46Å; N85-A715 PolarHBondContact ND2-O 3.2Å; N85-E717 PolarHBondContact N-OE2 3.45Å; N85-E717 PolarHBondContact ND2-OE2 3.44Å
86	D	53.7	Low	68.9	Low	79 Å²	79	48.4 Å²	48.4	42%	0.422	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	2.2	169.3	59.6	11	0	0	0	114.5	T84 F88 K90	T84-D86 VanDerWaalsContact CB-OD1 3.23Å; T84-D86 WeakPolarHBondContact CB-OD1 3.27Å; T84-D86 PolarHBondContact O-N 3.02Å; T84-D86 PolarHBondContact OG1-OD1 2.88Å; D86-F88 HydrophobicContact CB-CD2 3.84Å; D86-F88 HydrophobicContact CB-CE2 4.46Å; D86-F88 WeakPolarHBondContact O-CD2 3.21Å; D86-F88 PolarHBondContact O-N 2.96Å; D86-F88 WeakPolarHBondContact OD1-CB 3.24Å; D86-F88 PolarHBondContact OD1-N 3.36Å; D86-K90 IonicContact OD1-NZ 3.69Å; D86-K90 IonicContact OD2-NZ 2.59Å; D86-K90 PolarHBondContact OD2-NZ 3.31Å
87	G	46.1	Very low	68.8	Low	51 Å²	51	46.5 Å²	46.5	53%	0.526	24%	0.238	S	C	.	.	S	Bend	trans	74.8	-4.9	-176.9	0	0	0	0	0	114.7	T84 N85 K89	T84-G87 WeakPolarHBondContact O-CA 3.5Å; T84-G87 PolarHBondContact O-N 2.7Å; N85-G87 PolarHBondContact O-N 2.84Å; G87-K89 PolarHBondContact O-N 3.2Å
88	F	53.1	Low	68.3	Low	144 Å²	144	47.3 Å²	47.3	63%	0.632	24%	0.24	S	C	*	.			trans	-75.8	128.8	-175.8	-75.4	-86.7	0	0	0	111.6	T84 D86 K90	T84-F88 PolarHBondContact N-O 3.36Å; T84-F88 VanDerWaalsContact N-O 3.1Å; T84-F88 PolarHBondContact OG1-O 3.39Å; T84-F88 VanDerWaalsContact OG1-O 3.08Å; D86-F88 HydrophobicContact CB-CD2 3.84Å; D86-F88 HydrophobicContact CB-CE2 4.46Å; D86-F88 WeakPolarHBondContact O-CD2 3.21Å; D86-F88 PolarHBondContact O-N 2.96Å; D86-F88 WeakPolarHBondContact OD1-CB 3.24Å; D86-F88 PolarHBondContact OD1-N 3.36Å; F88-K90 PolarHBondContact O-N 3.01Å; F88-K90 VanDerWaalsContact O-N 3.1Å
89	K	65	Low	67.7	Low	79 Å²	79	50.2 Å²	50.2	34%	0.343	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	90	175.8	-81.5	164.9	156.7	-164.5	0	110.6	S58 Q81 I82 V83 G87 H91	S58-K89 PolarHBondContact OG-NZ 2.88Å; Q81-K89 HydrophobicContact CG-CB 4.18Å; Q81-K89 HydrophobicContact CG-CG 4.18Å; I82-K89 CarbonylContact O-C 2.99Å; V83-K89 HydrophobicContact CG2-CG 3.93Å; G87-K89 PolarHBondContact O-N 3.2Å; K89-H91 PolarHBondContact O-CD2 3.02Å
90	K	68	Low	66.9	Low	34 Å²	34	48.5 Å²	48.5	15%	0.148	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	118	174.6	-66.6	166	-171.2	149.6	0	108	I82 T84 D86 F88 F92 E717	I82-K90 PolarHBondContact N-O 3.35Å; I82-K90 PolarHBondContact O-N 3.38Å; T84-K90 VanDerWaalsContact CB-NZ 3.32Å; T84-K90 HydrophobicContact CG2-CD 3.67Å; T84-K90 WeakPolarHBondContact OG1-CD 3.41Å; T84-K90 WeakPolarHBondContact OG1-CE 3.39Å; T84-K90 PolarHBondContact OG1-NZ 3.1Å; D86-K90 IonicContact OD1-NZ 3.69Å; D86-K90 IonicContact OD2-NZ 2.59Å; D86-K90 PolarHBondContact OD2-NZ 3.31Å; F88-K90 PolarHBondContact O-N 3.01Å; F88-K90 VanDerWaalsContact O-N 3.1Å; K90-F92 HydrophobicContact CB-CE2 3.89Å; K90-F92 HydrophobicContact CB-CZ 4.44Å; K90-F92 WeakPolarHBondContact O-CD2 3.48Å; K90-E717 IonicContact NZ-OE1 3.86Å; K90-E717 PolarHBondContact NZ-OE1 2.91Å
91	H	77.4	Confident	66	Low	22 Å²	22	47.8 Å²	47.8	10%	0.102	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	137.2	-178.1	-71.8	-92.7	0	0	0	111.5	W79 Q81 K89 R110 I111 I178	W79-H91 AromaticContact CE2-CE1 3.9Å; W79-H91 AromaticContact CE2-ND1 3.42Å; W79-H91 AromaticContact CZ2-CE1 3.37Å; W79-H91 WeakPolarHBondContact CZ2-CE1 3.42Å; W79-H91 AromaticContact CZ2-ND1 3.4Å; W79-H91 WeakPolarHBondContact CZ2-ND1 3.49Å; W79-H91 AromaticContact NE1-CG 3.93Å; W79-H91 AromaticContact NE1-ND1 3.11Å; W79-H91 PolarHBondContact NE1-ND1 3.43Å; W79-H91 VanDerWaalsContact NE1-ND1 3.11Å; Q81-H91 PolarHBondContact NE2-CE1 2.92Å; Q81-H91 PolarHBondContact NE2-NE2 2.72Å; K89-H91 PolarHBondContact O-CD2 3.02Å; H91-R110 WeakPolarHBondContact O-CA 3.4Å; H91-I111 HydrophobicContact CB-CD1 4.35Å; H91-I111 HydrophobicContact CB-CG1 3.63Å; H91-I111 PolarHBondContact O-N 3.15Å; H91-I178 HydrophobicContact CB-CD1 4.26Å
92	F	80.9	Confident	64.6	Low	35 Å²	35	51.3 Å²	51.3	15%	0.154	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.9	179.2	-66.9	-86.7	0	0	0	110.9	E80 I82 K90 T108 I109 R110	E80-F92 PolarHBondContact N-O 3.22Å; E80-F92 PolarHBondContact O-N 3.32Å; I82-F92 HydrophobicContact CB-CD2 4.21Å; I82-F92 HydrophobicContact CB-CE2 4.11Å; I82-F92 HydrophobicContact CD1-CD2 3.72Å; I82-F92 HydrophobicContact CD1-CE2 3.86Å; I82-F92 HydrophobicContact CG1-CD2 3.91Å; I82-F92 HydrophobicContact CG1-CE2 4.2Å; K90-F92 HydrophobicContact CB-CE2 3.89Å; K90-F92 HydrophobicContact CB-CZ 4.44Å; K90-F92 WeakPolarHBondContact O-CD2 3.48Å; F92-T108 HydrophobicContact CB-CG2 3.98Å; F92-T108 HydrophobicContact CD1-CG2 4.03Å; F92-T108 HydrophobicContact CG-CG2 4.43Å; F92-I109 CarbonylContact C-O 3.53Å; F92-I109 VanDerWaalsContact CA-O 3.31Å; F92-I109 WeakPolarHBondContact CA-O 3.46Å; F92-R110 HydrophobicContact CD1-CB 4.07Å; F92-R110 HydrophobicContact CE1-CB 3.84Å; F92-R110 HydrophobicContact CE1-CG 4.12Å; F92-R110 HydrophobicContact CZ-CG 4.43Å
93	L	81.9	Confident	63.9	Low	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	106.2	-170.4	-161.8	73.7	0	0	0	109.9	S78 I95 T108 I109 I111 V120 I177 L181 L194	S78-L93 CarbonylContact O-C 3.56Å; S78-L93 VanDerWaalsContact O-CA 3.25Å; S78-L93 WeakPolarHBondContact O-CA 3.4Å; S78-L93 WeakPolarHBondContact O-CD1 3.38Å; L93-I95 HydrophobicContact CD1-CD1 4.45Å; L93-I95 HydrophobicContact CD2-CD1 3.49Å; L93-I95 VanDerWaalsContact CD2-CD1 3.49Å; L93-I95 HydrophobicContact CD2-CG1 3.86Å; L93-I95 HydrophobicContact CG-CD1 3.6Å; L93-I95 HydrophobicContact CG-CG1 4.03Å; L93-I95 PolarHBondContact O-N 2.66Å; L93-T108 WeakPolarHBondContact O-CA 3.39Å; L93-I109 PolarHBondContact N-O 2.74Å; L93-I109 PolarHBondContact O-N 3.04Å; L93-I111 HydrophobicContact CB-CD1 4.22Å; L93-I111 HydrophobicContact CB-CG2 3.9Å; L93-I111 HydrophobicContact CD1-CD1 4.06Å; L93-I111 HydrophobicContact CD2-CD1 4.4Å; L93-I111 HydrophobicContact CD2-CG2 4.01Å; L93-I111 HydrophobicContact CG-CD1 4.47Å; L93-V120 HydrophobicContact CD2-CG1 4.01Å; L93-V120 HydrophobicContact CD2-CG2 4.15Å; L93-I177 HydrophobicContact CD1-CG2 4.09Å; L93-I177 HydrophobicContact CD2-CG2 3.89Å; L93-L181 HydrophobicContact CD1-CD1 3.8Å; L93-L194 HydrophobicContact CD1-CD1 4.01Å; L93-L194 HydrophobicContact CD2-CD1 4.33Å
94	K	81.4	Confident	63.4	Low	40 Å²	40	48.2 Å²	48.2	17%	0.174	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	90.9	171.5	-66.6	174.3	172	168.3	0	108.4	S78 E80 F106 K107	S78-K94 WeakPolarHBondContact CA-O 3.4Å; S78-K94 WeakPolarHBondContact CB-O 3.46Å; S78-K94 PolarHBondContact O-N 3.02Å; S78-K94 PolarHBondContact OG-O 3.37Å; E80-K94 VanDerWaalsContact CD-CE 3.41Å; E80-K94 WeakPolarHBondContact OE1-CE 3.44Å; E80-K94 IonicContact OE1-NZ 3.36Å; E80-K94 PolarHBondContact OE1-NZ 3.22Å; E80-K94 VanDerWaalsContact OE2-CE 3.31Å; E80-K94 WeakPolarHBondContact OE2-CE 3.48Å; E80-K94 IonicContact OE2-NZ 2.77Å; K94-F106 HydrophobicContact CB-CB 4.32Å; K94-F106 HydrophobicContact CB-CD2 3.81Å; K94-F106 HydrophobicContact CB-CE2 4.4Å; K94-F106 HydrophobicContact CB-CG 4.14Å; K94-F106 HydrophobicContact CD-CD2 4.22Å; K94-F106 HydrophobicContact CD-CE2 4.02Å; K94-F106 HydrophobicContact CD-CZ 4.32Å; K94-F106 HydrophobicContact CG-CD2 3.69Å; K94-F106 HydrophobicContact CG-CE2 3.78Å; K94-F106 HydrophobicContact CG-CG 4.39Å; K94-K107 WeakPolarHBondContact CA-O 3.35Å
95	I	84.2	Confident	63.7	Low	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	120.9	172.9	-61.8	-53	0	0	0	109.1	L93 C97 F106 K107 V120 L124 L140 L194 L196	L93-I95 HydrophobicContact CD1-CD1 4.45Å; L93-I95 HydrophobicContact CD2-CD1 3.49Å; L93-I95 VanDerWaalsContact CD2-CD1 3.49Å; L93-I95 HydrophobicContact CD2-CG1 3.86Å; L93-I95 HydrophobicContact CG-CD1 3.6Å; L93-I95 HydrophobicContact CG-CG1 4.03Å; L93-I95 PolarHBondContact O-N 2.66Å; I95-C97 PolarHBondContact O-SG 3.19Å; I95-C97 VanDerWaalsContact O-SG 3.32Å; I95-F106 CarbonylContact O-C 3.55Å; I95-F106 WeakPolarHBondContact O-CA 3.27Å; I95-F106 VanDerWaalsContact O-CB 3.27Å; I95-F106 WeakPolarHBondContact O-CB 3.42Å; I95-K107 PolarHBondContact N-O 3.12Å; I95-K107 PolarHBondContact O-N 3.34Å; I95-V120 HydrophobicContact CG1-CG1 4.01Å; I95-L124 HydrophobicContact CB-CD1 3.72Å; I95-L124 HydrophobicContact CB-CD2 4.49Å; I95-L124 HydrophobicContact CG1-CD1 3.93Å; I95-L124 HydrophobicContact CG2-CD1 3.46Å; I95-L124 VanDerWaalsContact CG2-CD1 3.46Å; I95-L140 HydrophobicContact CD1-CD1 3.83Å; I95-L140 HydrophobicContact CD1-CD2 4.11Å; I95-L140 HydrophobicContact CD1-CG 4.38Å; I95-L140 HydrophobicContact CG1-CD1 4.11Å; I95-L140 HydrophobicContact CG2-CD1 3.87Å; I95-L194 HydrophobicContact CD1-CB 3.38Å; I95-L194 HydrophobicContact CD1-CD1 4.16Å; I95-L194 HydrophobicContact CD1-CG 4.36Å; I95-L196 HydrophobicContact CG2-CB 3.87Å; I95-L196 VanDerWaalsContact CG2-N 3.3Å
96	F	83.3	Confident	65.2	Low	36 Å²	36	49.6 Å²	49.6	16%	0.158	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	127.9	176.6	-70.4	-97.7	0	0	0	109.1	L77 S78 H105 F106 R193 L194 E195 L196	L77-F96 HydrophobicContact CB-CE2 4.25Å; L77-F96 HydrophobicContact CB-CZ 4.41Å; S78-F96 WeakPolarHBondContact OG-CD2 3.47Å; S78-F96 WeakPolarHBondContact OG-CE2 3.48Å; F96-H105 WeakPolarHBondContact CA-O 3.46Å; F96-H105 WeakPolarHBondContact CD1-O 3.46Å; F96-F106 HydrophobicContact CD1-CB 4.38Å; F96-F106 HydrophobicContact CG-CB 4.42Å; F96-R193 HydrophobicContact CD2-CB 4.04Å; F96-R193 HydrophobicContact CD2-CG 4.39Å; F96-R193 HydrophobicContact CE2-CB 4.01Å; F96-L194 PolarHBondContact N-O 2.93Å; F96-E195 HydrophobicContact CB-CG 3.53Å; F96-E195 VanDerWaalsContact O-CA 3.24Å; F96-E195 WeakPolarHBondContact O-CA 3.39Å; F96-E195 WeakPolarHBondContact O-CB 3.29Å; F96-L196 PolarHBondContact O-N 2.96Å; F96-L196 VanDerWaalsContact O-N 3.1Å
97	C	76.4	Confident	66.2	Low	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.			trans	-118.5	4.4	-168.5	-65.9	0	0	0	0	113.6	I95 K99 V100 R101 D104 H105 Y129	I95-C97 PolarHBondContact O-SG 3.19Å; I95-C97 VanDerWaalsContact O-SG 3.32Å; C97-K99 PolarHBondContact O-N 2.91Å; C97-V100 WeakPolarHBondContact O-CA 3.3Å; C97-V100 PolarHBondContact O-N 3.02Å; C97-R101 PolarHBondContact O-N 2.76Å; C97-D104 CarbonylContact C-O 3.6Å; C97-D104 HydrophobicContact CB-CB 4.17Å; C97-D104 PolarHBondContact N-O 3.47Å; C97-H105 PolarHBondContact N-O 2.96Å; C97-Y129 HydrophobicContact CB-CE1 4.28Å; C97-Y129 HydrophobicContact CB-CE2 3.92Å; C97-Y129 WeakPolarHBondContact CB-OH 3.44Å; C97-Y129 WeakPolarHBondContact SG-CE2 3.47Å
98	E	66.4	Low	67.3	Low	66 Å²	66	46.8 Å²	46.8	31%	0.308	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-28.4	-176.2	-170.2	172.5	-135.7	0	0	113.6	R101 E102 D104	E98-R101 CarbonylContact C-O 3.44Å; E98-R101 VanDerWaalsContact CA-O 3.29Å; E98-R101 WeakPolarHBondContact CA-O 3.49Å; E98-R101 CarbonylContact O-C 3.58Å; E98-E102 WeakPolarHBondContact O-CA 3.35Å; E98-E102 PolarHBondContact O-N 3.35Å; E98-D104 PolarHBondContact N-O 2.73Å; E98-D104 VanDerWaalsContact N-O 3.14Å
99	K	70.7	Confident	68.3	Low	62 Å²	62	40.1 Å²	40.1	27%	0.27	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	2.3	178.2	-55.8	-163.7	-171.4	179.3	0	115.1	C97 E165 E195 R197	C97-K99 PolarHBondContact O-N 2.91Å; K99-E165 IonicContact NZ-OE1 2.9Å; K99-E165 PolarHBondContact NZ-OE1 3.24Å; K99-E165 IonicContact NZ-OE2 2.76Å; K99-E195 WeakPolarHBondContact CD-OE2 3.15Å; K99-E195 WeakPolarHBondContact CE-OE2 3.04Å; K99-E195 WeakPolarHBondContact CG-OE2 3.12Å; K99-E195 IonicContact NZ-OE2 2.71Å; K99-R197 HydrophobicContact CB-CG 4.38Å; K99-R197 HydrophobicContact CD-CG 4.5Å
100	V	64.6	Low	68.9	Low	19 Å²	19	42.8 Å²	42.8	12%	0.115	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-35	164.9	-172.6	0	0	0	0	110	C97 Y129 Y132 F138 L196	C97-V100 WeakPolarHBondContact O-CA 3.3Å; C97-V100 PolarHBondContact O-N 3.02Å; V100-Y129 HydrophobicContact CB-CD1 4.05Å; V100-Y129 HydrophobicContact CB-CE1 4.39Å; V100-Y129 HydrophobicContact CB-CG 4.46Å; V100-Y129 HydrophobicContact CG1-CD1 3.44Å; V100-Y129 VanDerWaalsContact CG1-CD1 3.44Å; V100-Y129 HydrophobicContact CG1-CE1 4.22Å; V100-Y129 HydrophobicContact CG1-CG 3.79Å; V100-Y132 HydrophobicContact CG1-CD1 4.49Å; V100-Y132 HydrophobicContact CG1-CD2 4.29Å; V100-Y132 HydrophobicContact CG1-CG 3.97Å; V100-Y132 WeakPolarHBondContact O-CD1 3.38Å; V100-F138 HydrophobicContact CB-CE1 4.26Å; V100-F138 HydrophobicContact CG1-CE1 3.58Å; V100-F138 HydrophobicContact CG1-CZ 3.68Å; V100-F138 HydrophobicContact CG2-CD1 4.03Å; V100-F138 HydrophobicContact CG2-CE1 3.72Å; V100-L196 HydrophobicContact CG2-CB 4.13Å; V100-L196 HydrophobicContact CG2-CD2 4.03Å; V100-L196 HydrophobicContact CG2-CG 3.95Å; V100-L196 WeakPolarHBondContact CG2-O 3.42Å
101	R	54.8	Low	69.5	Low	29 Å²	29	41.2 Å²	41.2	11%	0.109	19%	0.194	C	C	.	.	S	Bend	trans	-149.9	119.3	172.6	-177.9	-166.6	-170.9	161.3	2.7	109.3	C97 E98 D104 Y129 Y132 D252 N266	C97-R101 PolarHBondContact O-N 2.76Å; E98-R101 CarbonylContact C-O 3.44Å; E98-R101 VanDerWaalsContact CA-O 3.29Å; E98-R101 WeakPolarHBondContact CA-O 3.49Å; E98-R101 CarbonylContact O-C 3.58Å; R101-D104 HydrophobicContact CB-CB 4.22Å; R101-D104 WeakPolarHBondContact CD-OD2 3.49Å; R101-D104 WeakPolarHBondContact O-CB 3.45Å; R101-D104 PolarHBondContact O-N 2.94Å; R101-Y129 HydrophobicContact CB-CE1 4.38Å; R101-Y132 HydrophobicContact CB-CE1 4.32Å; R101-Y132 WeakPolarHBondContact CD-OH 3.31Å; R101-D252 IonicContact CZ-OD1 3.77Å; R101-D252 IonicContact NH1-OD1 2.73Å; R101-D252 IonicContact NH2-OD1 3.99Å; R101-D252 PolarHBondContact NH2-OD1 2.87Å; R101-D252 VanDerWaalsContact NH2-OD1 3.12Å; R101-N266 PolarHBondContact NH1-ND2 3Å
102	E	43.9	Very low	69.7	Low	150 Å²	150	44.4 Å²	44.4	70%	0.701	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	144.7	174.4	-63.2	-174.2	159.9	0	0	111	E98 D104 F250	E98-E102 WeakPolarHBondContact O-CA 3.35Å; E98-E102 PolarHBondContact O-N 3.35Å; E102-D104 PolarHBondContact O-N 3.23Å; E102-F250 WeakPolarHBondContact O-CE1 3.19Å; E102-F250 VanDerWaalsContact O-CZ 3.26Å; E102-F250 WeakPolarHBondContact O-CZ 3.18Å
103	G	45.7	Very low	69.4	Low	31 Å²	31	45.7 Å²	45.7	32%	0.32	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	-12.3	-176.6	0	0	0	0	0	116.2	H105	G103-H105 VanDerWaalsContact C-N 3.29Å; G103-H105 PolarHBondContact O-N 3.23Å
104	D	45.4	Very low	69.2	Low	18 Å²	18	50.2 Å²	50.2	10%	0.096	27%	0.267	C	S	.	.			trans	-78.6	80	167	-108.6	-7.3	0	0	0	108.9	C97 E98 R101 E102 F106 K107 Y129	C97-D104 CarbonylContact C-O 3.6Å; C97-D104 HydrophobicContact CB-CB 4.17Å; C97-D104 PolarHBondContact N-O 3.47Å; E98-D104 PolarHBondContact N-O 2.73Å; E98-D104 VanDerWaalsContact N-O 3.14Å; R101-D104 HydrophobicContact CB-CB 4.22Å; R101-D104 WeakPolarHBondContact CD-OD2 3.49Å; R101-D104 WeakPolarHBondContact O-CB 3.45Å; R101-D104 PolarHBondContact O-N 2.94Å; E102-D104 PolarHBondContact O-N 3.23Å; D104-F106 PolarHBondContact O-N 3.26Å; D104-K107 VanDerWaalsContact OD1-CE 3.3Å; D104-K107 WeakPolarHBondContact OD1-CE 3.48Å; D104-K107 IonicContact OD1-NZ 3.79Å; D104-K107 PolarHBondContact OD1-NZ 2.7Å; D104-K107 WeakPolarHBondContact OD2-CE 3.13Å; D104-K107 IonicContact OD2-NZ 2.82Å; D104-Y129 WeakPolarHBondContact OD2-CE1 3.31Å; D104-Y129 PolarHBondContact OD2-OH 2.82Å
105	H	54.1	Low	69.5	Low	98 Å²	98	49.1 Å²	49.1	45%	0.454	26%	0.263	S	S	.	.			trans	-48.5	-58.2	-175.1	-62.2	-54.6	0	0	0	112.4	F96 C97 G103	F96-H105 WeakPolarHBondContact CA-O 3.46Å; F96-H105 WeakPolarHBondContact CD1-O 3.46Å; C97-H105 PolarHBondContact N-O 2.96Å; G103-H105 VanDerWaalsContact C-N 3.29Å; G103-H105 PolarHBondContact O-N 3.23Å
106	F	72.9	Confident	69.8	Low	49 Å²	49	51 Å²	51	22%	0.215	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	166.1	170.9	61.8	-86.6	0	0	0	111.7	K94 I95 F96 D104 P428	K94-F106 HydrophobicContact CB-CB 4.32Å; K94-F106 HydrophobicContact CB-CD2 3.81Å; K94-F106 HydrophobicContact CB-CE2 4.4Å; K94-F106 HydrophobicContact CB-CG 4.14Å; K94-F106 HydrophobicContact CD-CD2 4.22Å; K94-F106 HydrophobicContact CD-CE2 4.02Å; K94-F106 HydrophobicContact CD-CZ 4.32Å; K94-F106 HydrophobicContact CG-CD2 3.69Å; K94-F106 HydrophobicContact CG-CE2 3.78Å; K94-F106 HydrophobicContact CG-CG 4.39Å; I95-F106 CarbonylContact O-C 3.55Å; I95-F106 WeakPolarHBondContact O-CA 3.27Å; I95-F106 VanDerWaalsContact O-CB 3.27Å; I95-F106 WeakPolarHBondContact O-CB 3.42Å; F96-F106 HydrophobicContact CD1-CB 4.38Å; F96-F106 HydrophobicContact CG-CB 4.42Å; D104-F106 PolarHBondContact O-N 3.26Å; F106-P428 HydrophobicContact CE2-CB 4.36Å
107	K	73.9	Confident	70.2	Confident	40 Å²	40	49.3 Å²	49.3	17%	0.174	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	145	160.6	-57.4	-61.2	165.6	-152.2	0	108.8	K94 I95 D104 L124 Y128 Y129	K94-K107 WeakPolarHBondContact CA-O 3.35Å; I95-K107 PolarHBondContact N-O 3.12Å; I95-K107 PolarHBondContact O-N 3.34Å; D104-K107 VanDerWaalsContact OD1-CE 3.3Å; D104-K107 WeakPolarHBondContact OD1-CE 3.48Å; D104-K107 IonicContact OD1-NZ 3.79Å; D104-K107 PolarHBondContact OD1-NZ 2.7Å; D104-K107 WeakPolarHBondContact OD2-CE 3.13Å; D104-K107 IonicContact OD2-NZ 2.82Å; K107-L124 HydrophobicContact CB-CD2 3.9Å; K107-Y128 HydrophobicContact CB-CD2 4.26Å; K107-Y128 HydrophobicContact CB-CE2 4Å; K107-Y128 HydrophobicContact CD-CD1 4.32Å; K107-Y128 HydrophobicContact CD-CD2 4.45Å; K107-Y128 HydrophobicContact CD-CE1 4.26Å; K107-Y128 HydrophobicContact CD-CE2 4.38Å; K107-Y128 HydrophobicContact CD-CG 4.42Å; K107-Y128 HydrophobicContact CG-CD2 3.95Å; K107-Y128 HydrophobicContact CG-CE2 4.07Å; K107-Y128 HydrophobicContact CG-CG 4.26Å; K107-Y129 WeakPolarHBondContact CE-OH 2.99Å; K107-Y129 HydrophobicContact CG-CE2 4.1Å; K107-Y129 WeakPolarHBondContact CG-OH 3.45Å
108	T	69	Low	70.9	Confident	30 Å²	30	50.3 Å²	50.3	18%	0.184	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.9	178.4	-51.3	0	0	0	0	109.7	F92 L93	F92-T108 HydrophobicContact CB-CG2 3.98Å; F92-T108 HydrophobicContact CD1-CG2 4.03Å; F92-T108 HydrophobicContact CG-CG2 4.43Å; L93-T108 WeakPolarHBondContact O-CA 3.39Å
109	I	74.7	Confident	72	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	149.8	171.4	-80.8	-178.9	0	0	0	109.8	F92 L93 I111 V120 E123 L124	F92-I109 CarbonylContact C-O 3.53Å; F92-I109 VanDerWaalsContact CA-O 3.31Å; F92-I109 WeakPolarHBondContact CA-O 3.46Å; L93-I109 PolarHBondContact N-O 2.74Å; L93-I109 PolarHBondContact O-N 3.04Å; I109-I111 HydrophobicContact CG2-CG2 3.8Å; I109-V120 HydrophobicContact CD1-CG1 4.17Å; I109-E123 HydrophobicContact CD1-CB 3.82Å; I109-E123 HydrophobicContact CD1-CG 3.65Å; I109-E123 HydrophobicContact CG1-CG 4.24Å; I109-E123 WeakPolarHBondContact CG1-OE1 3.34Å; I109-L124 HydrophobicContact CD1-CB 4.43Å; I109-L124 HydrophobicContact CD1-CD1 4.45Å; I109-L124 HydrophobicContact CD1-CD2 3.42Å; I109-L124 VanDerWaalsContact CD1-CD2 3.42Å; I109-L124 HydrophobicContact CD1-CG 3.43Å; I109-L124 VanDerWaalsContact CD1-CG 3.43Å; I109-L124 HydrophobicContact CG1-CD2 4.04Å
110	R	76.6	Confident	73	Confident	136 Å²	136	46.2 Å²	46.2	51%	0.513	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.3	168.7	179.7	179.8	168.9	179.1	-1.3	109.3	H91 F92	H91-R110 WeakPolarHBondContact O-CA 3.4Å; F92-R110 HydrophobicContact CD1-CB 4.07Å; F92-R110 HydrophobicContact CE1-CB 3.84Å; F92-R110 HydrophobicContact CE1-CG 4.12Å; F92-R110 HydrophobicContact CZ-CG 4.43Å
111	I	81.5	Confident	74.2	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	147.5	-179.5	65.7	173.3	0	0	0	112	H91 L93 I109 T115 V120 I177 I178	H91-I111 HydrophobicContact CB-CD1 4.35Å; H91-I111 HydrophobicContact CB-CG1 3.63Å; H91-I111 PolarHBondContact O-N 3.15Å; L93-I111 HydrophobicContact CB-CD1 4.22Å; L93-I111 HydrophobicContact CB-CG2 3.9Å; L93-I111 HydrophobicContact CD1-CD1 4.06Å; L93-I111 HydrophobicContact CD2-CD1 4.4Å; L93-I111 HydrophobicContact CD2-CG2 4.01Å; L93-I111 HydrophobicContact CG-CD1 4.47Å; I109-I111 HydrophobicContact CG2-CG2 3.8Å; I111-T115 HydrophobicContact CB-CG2 3.93Å; I111-T115 HydrophobicContact CG2-CG2 3.76Å; I111-V120 HydrophobicContact CG2-CG2 4.25Å; I111-I177 HydrophobicContact CD1-CG2 3.92Å; I111-I178 HydrophobicContact CD1-CD1 4.19Å; I111-I178 HydrophobicContact CD1-CG1 3.66Å; I111-I178 HydrophobicContact CG1-CD1 4.09Å; I111-I178 HydrophobicContact CG1-CG1 4.12Å
112	N	80.8	Confident	75.7	Confident	88 Å²	88	49 Å²	49	47%	0.471	28%	0.276	S	S	.	.			trans	-118.9	169.7	-179.2	-68	-12.9	0	0	0	110.2	S114 T115 I178	N112-S114 PolarHBondContact O-N 3.24Å; N112-T115 PolarHBondContact N-OG1 2.79Å; N112-T115 WeakPolarHBondContact O-CB 3.37Å; N112-T115 PolarHBondContact O-N 3.07Å; N112-T115 PolarHBondContact O-OG1 3.02Å; N112-I178 WeakPolarHBondContact O-CD1 3.19Å
113	G	75.5	Confident	77.7	Confident	62 Å²	62	45.8 Å²	45.8	64%	0.639	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-13.4	-177.8	0	0	0	0	0	116.4	N176	G113-N176 PolarHBondContact O-ND2 2.94Å
114	S	77.7	Confident	79.4	Confident	96 Å²	96	44.3 Å²	44.3	67%	0.671	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.9	4.8	177	62.9	0	0	0	0	114.3	N112 T116	N112-S114 PolarHBondContact O-N 3.24Å; S114-T116 PolarHBondContact O-N 3.39Å
115	T	87.1	Confident	80.9	Confident	17 Å²	17	43.4 Å²	43.4	10%	0.104	24%	0.241	C	C	.	.			trans	-71.7	109.3	-175.1	-65.2	0	0	0	0	111.2	I111 N112 S119 V120 I177	I111-T115 HydrophobicContact CB-CG2 3.93Å; I111-T115 HydrophobicContact CG2-CG2 3.76Å; N112-T115 PolarHBondContact N-OG1 2.79Å; N112-T115 WeakPolarHBondContact O-CB 3.37Å; N112-T115 PolarHBondContact O-N 3.07Å; N112-T115 PolarHBondContact O-OG1 3.02Å; T115-S119 WeakPolarHBondContact CG2-OG 3.24Å; T115-V120 HydrophobicContact CG2-CG2 3.45Å; T115-V120 VanDerWaalsContact CG2-CG2 3.45Å; T115-I177 PolarHBondContact O-N 3.07Å
116	T	91.5	Very high	82	Confident	39 Å²	39	41.4 Å²	41.4	24%	0.239	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-85.4	161	173.4	75.3	0	0	0	0	112.1	S114 G118 S119 V120 L173 N174 E175	S114-T116 PolarHBondContact O-N 3.39Å; T116-G118 PolarHBondContact O-N 3.23Å; T116-S119 PolarHBondContact N-OG 2.98Å; T116-S119 WeakPolarHBondContact O-CA 3.32Å; T116-S119 PolarHBondContact O-N 3.2Å; T116-S119 PolarHBondContact O-OG 3.37Å; T116-S119 PolarHBondContact OG1-N 3.1Å; T116-V120 PolarHBondContact O-N 2.76Å; T116-V120 VanDerWaalsContact O-N 3.16Å; T116-L173 VanDerWaalsContact CB-O 3.23Å; T116-L173 WeakPolarHBondContact CB-O 3.19Å; T116-L173 PolarHBondContact OG1-O 3.4Å; T116-N174 WeakPolarHBondContact CG2-O 3.37Å; T116-E175 CarbonylContact C-O 3.59Å; T116-E175 WeakPolarHBondContact CA-O 3.44Å; T116-E175 WeakPolarHBondContact CB-O 3.48Å
117	A	90.5	Very high	81.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-56.1	-39.9	176.4	0	0	0	0	0	112.7	S119 V120 V121 L140 I171 D172 E175 I177	A117-S119 VanDerWaalsContact C-N 3.25Å; A117-S119 PolarHBondContact O-N 3.45Å; A117-V120 PolarHBondContact O-N 2.95Å; A117-V121 WeakPolarHBondContact O-CB 3.41Å; A117-V121 VanDerWaalsContact O-CG2 3.29Å; A117-V121 WeakPolarHBondContact O-CG2 3.27Å; A117-V121 PolarHBondContact O-N 2.9Å; A117-L140 HydrophobicContact CB-CB 4.3Å; A117-I171 HydrophobicContact CB-CB 4.03Å; A117-I171 HydrophobicContact CB-CG2 3.55Å; A117-D172 WeakPolarHBondContact CB-O 3.4Å; A117-E175 PolarHBondContact N-O 3.21Å; A117-I177 HydrophobicContact CB-CD1 3.67Å; A117-I177 HydrophobicContact CB-CG1 4.38Å
118	G	90.6	Very high	81.7	Confident	21 Å²	21	45.7 Å²	45.7	22%	0.216	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-29.2	175.6	0	0	0	0	0	113.4	T116 K122 L173	T116-G118 PolarHBondContact O-N 3.23Å; G118-K122 WeakPolarHBondContact O-CB 3.17Å; G118-K122 PolarHBondContact O-N 2.86Å; G118-L173 WeakPolarHBondContact CA-O 3.19Å; G118-L173 PolarHBondContact N-O 3.09Å
119	S	91	Very high	81.8	Confident	43 Å²	43	44.3 Å²	44.3	30%	0.301	25%	0.249	S	C	.	.	H	α-helix	trans	-74.2	-37.4	172.6	68.6	0	0	0	0	113	T115 T116 A117 K122 E123	T115-S119 WeakPolarHBondContact CG2-OG 3.24Å; T116-S119 PolarHBondContact N-OG 2.98Å; T116-S119 WeakPolarHBondContact O-CA 3.32Å; T116-S119 PolarHBondContact O-N 3.2Å; T116-S119 PolarHBondContact O-OG 3.37Å; T116-S119 PolarHBondContact OG1-N 3.1Å; A117-S119 VanDerWaalsContact C-N 3.25Å; A117-S119 PolarHBondContact O-N 3.45Å; S119-K122 WeakPolarHBondContact O-CB 3.42Å; S119-K122 PolarHBondContact O-N 3.16Å; S119-E123 WeakPolarHBondContact O-CB 3.48Å; S119-E123 PolarHBondContact O-N 3.48Å
120	V	90.2	Very high	81.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.8	-44.4	173.6	-179.9	0	0	0	0	111.4	L93 I95 I109 I111 T115 T116 A117 K122 E123 L124 L140 I177	L93-V120 HydrophobicContact CD2-CG1 4.01Å; L93-V120 HydrophobicContact CD2-CG2 4.15Å; I95-V120 HydrophobicContact CG1-CG1 4.01Å; I109-V120 HydrophobicContact CD1-CG1 4.17Å; I111-V120 HydrophobicContact CG2-CG2 4.25Å; T115-V120 HydrophobicContact CG2-CG2 3.45Å; T115-V120 VanDerWaalsContact CG2-CG2 3.45Å; T116-V120 PolarHBondContact O-N 2.76Å; T116-V120 VanDerWaalsContact O-N 3.16Å; A117-V120 PolarHBondContact O-N 2.95Å; V120-K122 VanDerWaalsContact C-N 3.35Å; V120-E123 PolarHBondContact O-N 2.96Å; V120-L124 HydrophobicContact CG1-CD1 4.09Å; V120-L124 HydrophobicContact CG1-CG 4.43Å; V120-L124 WeakPolarHBondContact O-CG 3.44Å; V120-L124 PolarHBondContact O-N 3.3Å; V120-L140 HydrophobicContact CB-CD2 4.44Å; V120-L140 HydrophobicContact CG1-CD1 4.28Å; V120-L140 HydrophobicContact CG1-CD2 4.23Å; V120-I177 HydrophobicContact CG2-CG1 4.03Å
121	V	90.3	Very high	81	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-48	174.3	170.4	0	0	0	0	109.9	A117 E123 L124 V125 R135 F138 L140 L196	A117-V121 WeakPolarHBondContact O-CB 3.41Å; A117-V121 VanDerWaalsContact O-CG2 3.29Å; A117-V121 WeakPolarHBondContact O-CG2 3.27Å; A117-V121 PolarHBondContact O-N 2.9Å; V121-E123 PolarHBondContact O-N 2.85Å; V121-L124 PolarHBondContact O-N 3.47Å; V121-V125 HydrophobicContact CG1-CG2 4.16Å; V121-V125 VanDerWaalsContact O-CB 3.26Å; V121-V125 WeakPolarHBondContact O-CB 3.44Å; V121-V125 WeakPolarHBondContact O-CG2 3.35Å; V121-V125 PolarHBondContact O-N 3.14Å; V121-R135 WeakPolarHBondContact CG1-O 3.28Å; V121-F138 HydrophobicContact CG1-CB 3.99Å; V121-F138 WeakPolarHBondContact CG1-O 3.46Å; V121-L140 HydrophobicContact CG2-CB 4.05Å; V121-L196 HydrophobicContact CB-CD1 4.44Å; V121-L196 HydrophobicContact CG1-CD1 4.32Å; V121-L196 HydrophobicContact CG2-CD1 3.94Å
122	K	86.8	Confident	80.1	Confident	105 Å²	105	50.8 Å²	50.8	46%	0.457	28%	0.282	S	S	.	.	H	α-helix	trans	-53.1	-50.9	174.6	168.4	178.1	175.7	-159.6	0	111.8	G118 S119 V120 D126	G118-K122 WeakPolarHBondContact O-CB 3.17Å; G118-K122 PolarHBondContact O-N 2.86Å; S119-K122 WeakPolarHBondContact O-CB 3.42Å; S119-K122 PolarHBondContact O-N 3.16Å; V120-K122 VanDerWaalsContact C-N 3.35Å; K122-D126 WeakPolarHBondContact CG-OD2 3.29Å; K122-D126 WeakPolarHBondContact O-CB 3.43Å; K122-D126 PolarHBondContact O-N 3.45Å
123	E	85.5	Confident	79.6	Confident	81 Å²	81	47.5 Å²	47.5	38%	0.379	27%	0.268	S	S	.	.	H	α-helix	trans	-64.6	-50.5	-178.1	-173.8	178.1	159	0	0	112	I109 S119 V120 V121 V125 D126 T127	I109-E123 HydrophobicContact CD1-CB 3.82Å; I109-E123 HydrophobicContact CD1-CG 3.65Å; I109-E123 HydrophobicContact CG1-CG 4.24Å; I109-E123 WeakPolarHBondContact CG1-OE1 3.34Å; S119-E123 WeakPolarHBondContact O-CB 3.48Å; S119-E123 PolarHBondContact O-N 3.48Å; V120-E123 PolarHBondContact O-N 2.96Å; V121-E123 PolarHBondContact O-N 2.85Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 2.93Å; E123-D126 PolarHBondContact O-N 3.03Å; E123-T127 VanDerWaalsContact O-CB 3.31Å; E123-T127 WeakPolarHBondContact O-CB 3.4Å; E123-T127 PolarHBondContact O-N 2.93Å; E123-T127 PolarHBondContact O-OG1 3.1Å; E123-T127 VanDerWaalsContact O-OG1 3.04Å
124	L	80.8	Confident	79.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-42.7	177.4	-70.9	172.8	0	0	0	112.9	I95 K107 I109 V120 V121 Y128 Y129 L140 L196	I95-L124 HydrophobicContact CB-CD1 3.72Å; I95-L124 HydrophobicContact CB-CD2 4.49Å; I95-L124 HydrophobicContact CG1-CD1 3.93Å; I95-L124 HydrophobicContact CG2-CD1 3.46Å; I95-L124 VanDerWaalsContact CG2-CD1 3.46Å; K107-L124 HydrophobicContact CB-CD2 3.9Å; I109-L124 HydrophobicContact CD1-CB 4.43Å; I109-L124 HydrophobicContact CD1-CD1 4.45Å; I109-L124 HydrophobicContact CD1-CD2 3.42Å; I109-L124 VanDerWaalsContact CD1-CD2 3.42Å; I109-L124 HydrophobicContact CD1-CG 3.43Å; I109-L124 VanDerWaalsContact CD1-CG 3.43Å; I109-L124 HydrophobicContact CG1-CD2 4.04Å; V120-L124 HydrophobicContact CG1-CD1 4.09Å; V120-L124 HydrophobicContact CG1-CG 4.43Å; V120-L124 WeakPolarHBondContact O-CG 3.44Å; V120-L124 PolarHBondContact O-N 3.3Å; V121-L124 PolarHBondContact O-N 3.47Å; L124-Y128 HydrophobicContact CD2-CD2 4.22Å; L124-Y128 HydrophobicContact CD2-CE2 4.48Å; L124-Y128 WeakPolarHBondContact O-CA 3.4Å; L124-Y128 WeakPolarHBondContact O-CB 3.25Å; L124-Y128 PolarHBondContact O-N 3.36Å; L124-Y129 HydrophobicContact CB-CD2 4.2Å; L124-Y129 WeakPolarHBondContact O-CD2 3.36Å; L124-Y129 PolarHBondContact O-N 2.95Å; L124-L140 HydrophobicContact CD1-CD1 4.49Å; L124-L196 HydrophobicContact CB-CD2 3.87Å; L124-L196 HydrophobicContact CD1-CB 4.07Å; L124-L196 HydrophobicContact CD1-CD1 4.17Å; L124-L196 HydrophobicContact CD1-CD2 3.99Å; L124-L196 HydrophobicContact CD1-CG 4.32Å
125	V	76.9	Confident	80.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	I	π-helix	trans	-69.9	-52.9	-179.6	177.6	0	0	0	0	109.2	V121 E123 T127 Y129 L130 R135 F138 L196	V121-V125 HydrophobicContact CG1-CG2 4.16Å; V121-V125 VanDerWaalsContact O-CB 3.26Å; V121-V125 WeakPolarHBondContact O-CB 3.44Å; V121-V125 WeakPolarHBondContact O-CG2 3.35Å; V121-V125 PolarHBondContact O-N 3.14Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 2.93Å; V125-T127 VanDerWaalsContact C-N 3.31Å; V125-T127 PolarHBondContact O-N 3.35Å; V125-Y129 CarbonylContact O-C 3.56Å; V125-Y129 PolarHBondContact O-N 2.71Å; V125-Y129 VanDerWaalsContact O-N 3.11Å; V125-L130 WeakPolarHBondContact O-CA 3.18Å; V125-L130 VanDerWaalsContact O-CB 3.27Å; V125-L130 WeakPolarHBondContact O-CB 3.34Å; V125-L130 PolarHBondContact O-N 2.82Å; V125-R135 HydrophobicContact CB-CG 4.42Å; V125-R135 HydrophobicContact CG1-CG 4.3Å; V125-F138 HydrophobicContact CB-CD2 4.49Å; V125-F138 HydrophobicContact CG1-CD2 4.23Å; V125-F138 HydrophobicContact CG1-CE2 4.48Å; V125-F138 HydrophobicContact CG2-CB 4.01Å; V125-F138 HydrophobicContact CG2-CD2 3.37Å; V125-F138 HydrophobicContact CG2-CE2 4.13Å; V125-F138 HydrophobicContact CG2-CG 3.95Å; V125-L196 HydrophobicContact CG2-CD2 4.28Å
126	D	78.8	Confident	79.9	Confident	55 Å²	55	54.2 Å²	54.2	29%	0.294	28%	0.276	S	S	.	.	I	π-helix	trans	-56	-42.5	179.4	-71.8	-13.5	0	0	0	112.6	K122 E123 R135	K122-D126 WeakPolarHBondContact CG-OD2 3.29Å; K122-D126 WeakPolarHBondContact O-CB 3.43Å; K122-D126 PolarHBondContact O-N 3.45Å; E123-D126 PolarHBondContact O-N 3.03Å; D126-R135 IonicContact OD1-CZ 2.61Å; D126-R135 VanDerWaalsContact OD1-CZ 3.27Å; D126-R135 IonicContact OD1-NE 2.79Å; D126-R135 PolarHBondContact OD1-NE 2.96Å; D126-R135 IonicContact OD1-NH2 3.18Å; D126-R135 PolarHBondContact OD1-NH2 3.18Å; D126-R135 IonicContact OD2-CZ 3.79Å; D126-R135 IonicContact OD2-NE 2.73Å; D126-R135 PolarHBondContact OD2-NE 3.02Å; D126-R135 IonicContact OD2-NH2 2.71Å; D126-R135 PolarHBondContact OD2-NH2 2.9Å
127	T	70.4	Confident	79.5	Confident	88 Å²	88	56.2 Å²	56.2	54%	0.54	29%	0.285	S	S	.	.	I	π-helix	trans	-83.1	-41.3	-176	-54	0	0	0	0	113.8	E123 V125	E123-T127 VanDerWaalsContact O-CB 3.31Å; E123-T127 WeakPolarHBondContact O-CB 3.4Å; E123-T127 PolarHBondContact O-N 2.93Å; E123-T127 PolarHBondContact O-OG1 3.1Å; E123-T127 VanDerWaalsContact O-OG1 3.04Å; V125-T127 VanDerWaalsContact C-N 3.31Å; V125-T127 PolarHBondContact O-N 3.35Å
128	Y	68.8	Low	79.4	Confident	92 Å²	92	56.6 Å²	56.6	36%	0.361	29%	0.287	S	S	.	.	I	π-helix	trans	-123.2	-44	-169.9	-53.6	-71.6	0	0	0	113.9	K107 L124	K107-Y128 HydrophobicContact CB-CD2 4.26Å; K107-Y128 HydrophobicContact CB-CE2 4Å; K107-Y128 HydrophobicContact CD-CD1 4.32Å; K107-Y128 HydrophobicContact CD-CD2 4.45Å; K107-Y128 HydrophobicContact CD-CE1 4.26Å; K107-Y128 HydrophobicContact CD-CE2 4.38Å; K107-Y128 HydrophobicContact CD-CG 4.42Å; K107-Y128 HydrophobicContact CG-CD2 3.95Å; K107-Y128 HydrophobicContact CG-CE2 4.07Å; K107-Y128 HydrophobicContact CG-CG 4.26Å; L124-Y128 HydrophobicContact CD2-CD2 4.22Å; L124-Y128 HydrophobicContact CD2-CE2 4.48Å; L124-Y128 WeakPolarHBondContact O-CA 3.4Å; L124-Y128 WeakPolarHBondContact O-CB 3.25Å; L124-Y128 PolarHBondContact O-N 3.36Å
129	Y	72.1	Confident	79.4	Confident	1 Å²	1	55.6 Å²	55.6	0%	0.004	28%	0.277	C	S	.	.	I	π-helix	trans	-104.8	6.6	-163.8	-58.6	-67.8	0	0	0	116.4	C97 V100 R101 D104 K107 L124 V125 K131 Y132 G133 L196	C97-Y129 HydrophobicContact CB-CE1 4.28Å; C97-Y129 HydrophobicContact CB-CE2 3.92Å; C97-Y129 WeakPolarHBondContact CB-OH 3.44Å; C97-Y129 WeakPolarHBondContact SG-CE2 3.47Å; V100-Y129 HydrophobicContact CB-CD1 4.05Å; V100-Y129 HydrophobicContact CB-CE1 4.39Å; V100-Y129 HydrophobicContact CB-CG 4.46Å; V100-Y129 HydrophobicContact CG1-CD1 3.44Å; V100-Y129 VanDerWaalsContact CG1-CD1 3.44Å; V100-Y129 HydrophobicContact CG1-CE1 4.22Å; V100-Y129 HydrophobicContact CG1-CG 3.79Å; R101-Y129 HydrophobicContact CB-CE1 4.38Å; D104-Y129 WeakPolarHBondContact OD2-CE1 3.31Å; D104-Y129 PolarHBondContact OD2-OH 2.82Å; K107-Y129 WeakPolarHBondContact CE-OH 2.99Å; K107-Y129 HydrophobicContact CG-CE2 4.1Å; K107-Y129 WeakPolarHBondContact CG-OH 3.45Å; L124-Y129 HydrophobicContact CB-CD2 4.2Å; L124-Y129 WeakPolarHBondContact O-CD2 3.36Å; L124-Y129 PolarHBondContact O-N 2.95Å; V125-Y129 CarbonylContact O-C 3.56Å; V125-Y129 PolarHBondContact O-N 2.71Å; V125-Y129 VanDerWaalsContact O-N 3.11Å; Y129-K131 PolarHBondContact O-N 2.85Å; Y129-Y132 AromaticContact CD1-CD2 3.84Å; Y129-Y132 HydrophobicContact CD1-CD2 3.84Å; Y129-Y132 AromaticContact CD1-CE2 4Å; Y129-Y132 HydrophobicContact CD1-CE2 4Å; Y129-Y132 PolarHBondContact O-N 3.24Å; Y129-G133 PolarHBondContact O-N 2.96Å; Y129-L196 HydrophobicContact CD2-CD2 3.62Å; Y129-L196 HydrophobicContact CE2-CD2 4.34Å; Y129-L196 HydrophobicContact CG-CD2 4.14Å
130	L	69.8	Low	79.5	Confident	68 Å²	68	53.6 Å²	53.6	36%	0.356	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-12.8	179.3	-159.1	127	0	0	0	114.4	V125 S668	V125-L130 WeakPolarHBondContact O-CA 3.18Å; V125-L130 VanDerWaalsContact O-CB 3.27Å; V125-L130 WeakPolarHBondContact O-CB 3.34Å; V125-L130 PolarHBondContact O-N 2.82Å; L130-S668 VanDerWaalsContact CD2-OG 3.23Å; L130-S668 WeakPolarHBondContact CD2-OG 3.45Å
131	K	65.1	Low	79.7	Confident	118 Å²	118	54.3 Å²	54.3	51%	0.513	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-13.6	173.8	-61.7	-148.3	174.1	-171.4	0	114.5	Y129 S253 R255	Y129-K131 PolarHBondContact O-N 2.85Å; K131-S253 WeakPolarHBondContact CE-O 3.48Å; K131-S253 PolarHBondContact NZ-O 3.38Å; K131-R255 PolarHBondContact NZ-O 3.05Å
132	Y	62.3	Low	79.8	Confident	91 Å²	91	54.8 Å²	54.8	36%	0.357	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-16.4	-176.6	-58	-92.8	0	0	0	112	V100 R101 Y129	V100-Y132 HydrophobicContact CG1-CD1 4.49Å; V100-Y132 HydrophobicContact CG1-CD2 4.29Å; V100-Y132 HydrophobicContact CG1-CG 3.97Å; V100-Y132 WeakPolarHBondContact O-CD1 3.38Å; R101-Y132 HydrophobicContact CB-CE1 4.32Å; R101-Y132 WeakPolarHBondContact CD-OH 3.31Å; Y129-Y132 AromaticContact CD1-CD2 3.84Å; Y129-Y132 HydrophobicContact CD1-CD2 3.84Å; Y129-Y132 AromaticContact CD1-CE2 4Å; Y129-Y132 HydrophobicContact CD1-CE2 4Å; Y129-Y132 PolarHBondContact O-N 3.24Å
133	G	69.8	Low	79.9	Confident	18 Å²	18	49.8 Å²	49.8	19%	0.186	25%	0.246	C	C	.	.			trans	173.5	174.9	177.1	0	0	0	0	0	112.3	Y129	Y129-G133 PolarHBondContact O-N 2.96Å
134	T	80.5	Confident	80	Confident	76 Å²	76	47.1 Å²	47.1	47%	0.466	23%	0.234	S	C	.	.			trans	-82.3	173.4	168.6	72.1	0	0	0	0	111	D136 D137 F138	T134-D136 PolarHBondContact O-N 3.2Å; T134-D137 WeakPolarHBondContact CA-OD2 3.48Å; T134-D137 VanDerWaalsContact CB-OD2 3.28Å; T134-D137 WeakPolarHBondContact CB-OD2 3.42Å; T134-D137 WeakPolarHBondContact CG2-OD2 3.2Å; T134-D137 PolarHBondContact N-OD2 3.38Å; T134-D137 PolarHBondContact O-N 3.08Å; T134-D137 VanDerWaalsContact O-N 3.14Å; T134-D137 PolarHBondContact OG1-OD2 3.44Å; T134-F138 VanDerWaalsContact O-CD2 3.3Å; T134-F138 WeakPolarHBondContact O-CD2 3.42Å
135	R	82.8	Confident	80.1	Confident	111 Å²	111	47.1 Å²	47.1	42%	0.419	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-60.7	-30.8	179.1	-57.6	176.1	-171.4	143.7	-4.5	112.8	V121 V125 D126	V121-R135 WeakPolarHBondContact CG1-O 3.28Å; V125-R135 HydrophobicContact CB-CG 4.42Å; V125-R135 HydrophobicContact CG1-CG 4.3Å; D126-R135 IonicContact OD1-CZ 2.61Å; D126-R135 VanDerWaalsContact OD1-CZ 3.27Å; D126-R135 IonicContact OD1-NE 2.79Å; D126-R135 PolarHBondContact OD1-NE 2.96Å; D126-R135 IonicContact OD1-NH2 3.18Å; D126-R135 PolarHBondContact OD1-NH2 3.18Å; D126-R135 IonicContact OD2-CZ 3.79Å; D126-R135 IonicContact OD2-NE 2.73Å; D126-R135 PolarHBondContact OD2-NE 3.02Å; D126-R135 IonicContact OD2-NH2 2.71Å; D126-R135 PolarHBondContact OD2-NH2 2.9Å
136	D	83.3	Confident	79.9	Confident	130 Å²	130	48.7 Å²	48.7	70%	0.695	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-85	-13.9	-178.1	-50.2	-50.7	0	0	0	112.1	T134 F138 V199	T134-D136 PolarHBondContact O-N 3.2Å; D136-F138 VanDerWaalsContact C-N 3.31Å; D136-V199 WeakPolarHBondContact O-CG2 3.36Å
137	D	84.1	Confident	79.3	Confident	81 Å²	81	46.8 Å²	46.8	43%	0.433	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-81.1	-10.8	172.9	-62.7	-60	0	0	0	112.6	T134 P198 V199	T134-D137 WeakPolarHBondContact CA-OD2 3.48Å; T134-D137 VanDerWaalsContact CB-OD2 3.28Å; T134-D137 WeakPolarHBondContact CB-OD2 3.42Å; T134-D137 WeakPolarHBondContact CG2-OD2 3.2Å; T134-D137 PolarHBondContact N-OD2 3.38Å; T134-D137 PolarHBondContact O-N 3.08Å; T134-D137 VanDerWaalsContact O-N 3.14Å; T134-D137 PolarHBondContact OG1-OD2 3.44Å; D137-P198 CarbonylContact O-C 3.43Å; D137-P198 VanDerWaalsContact O-CA 3.23Å; D137-P198 WeakPolarHBondContact O-CA 3.45Å; D137-V199 PolarHBondContact O-N 3.32Å
138	F	88.5	Confident	78.6	Confident	7 Å²	7	47.3 Å²	47.3	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.2	179.1	-65.4	-73.1	0	0	0	112.1	V100 V121 V125 T134 D136 L196 P198	V100-F138 HydrophobicContact CB-CE1 4.26Å; V100-F138 HydrophobicContact CG1-CE1 3.58Å; V100-F138 HydrophobicContact CG1-CZ 3.68Å; V100-F138 HydrophobicContact CG2-CD1 4.03Å; V100-F138 HydrophobicContact CG2-CE1 3.72Å; V121-F138 HydrophobicContact CG1-CB 3.99Å; V121-F138 WeakPolarHBondContact CG1-O 3.46Å; V125-F138 HydrophobicContact CB-CD2 4.49Å; V125-F138 HydrophobicContact CG1-CD2 4.23Å; V125-F138 HydrophobicContact CG1-CE2 4.48Å; V125-F138 HydrophobicContact CG2-CB 4.01Å; V125-F138 HydrophobicContact CG2-CD2 3.37Å; V125-F138 HydrophobicContact CG2-CE2 4.13Å; V125-F138 HydrophobicContact CG2-CG 3.95Å; T134-F138 VanDerWaalsContact O-CD2 3.3Å; T134-F138 WeakPolarHBondContact O-CD2 3.42Å; D136-F138 VanDerWaalsContact C-N 3.31Å; F138-L196 HydrophobicContact CB-CD1 3.83Å; F138-L196 HydrophobicContact CB-CG 4.28Å; F138-L196 HydrophobicContact CD1-CG 4.23Å; F138-L196 HydrophobicContact CG-CD1 4.44Å; F138-L196 HydrophobicContact CG-CG 4.39Å; F138-P198 HydrophobicContact CD1-CB 4.39Å; F138-P198 HydrophobicContact CE1-CB 4.34Å
139	C	90.3	Very high	77.6	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	157.6	167.2	55.5	0	0	0	0	110.5	Y141 Q170 R197 V199	C139-Y141 WeakPolarHBondContact SG-CE2 3.44Å; C139-Q170 HydrophobicContact CB-CG 4.06Å; C139-R197 PolarHBondContact N-O 3.47Å; C139-R197 PolarHBondContact O-N 2.89Å; C139-R197 VanDerWaalsContact O-N 3.11Å; C139-R197 VanDerWaalsContact O-O 3.05Å; C139-V199 HydrophobicContact CB-CG2 3.92Å
140	L	93.3	Very high	76.2	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	131	174.9	-148.3	70.9	0	0	0	108.6	I95 A117 V120 V121 L124 I171 I177 L194 L196	I95-L140 HydrophobicContact CD1-CD1 3.83Å; I95-L140 HydrophobicContact CD1-CD2 4.11Å; I95-L140 HydrophobicContact CD1-CG 4.38Å; I95-L140 HydrophobicContact CG1-CD1 4.11Å; I95-L140 HydrophobicContact CG2-CD1 3.87Å; A117-L140 HydrophobicContact CB-CB 4.3Å; V120-L140 HydrophobicContact CB-CD2 4.44Å; V120-L140 HydrophobicContact CG1-CD1 4.28Å; V120-L140 HydrophobicContact CG1-CD2 4.23Å; V121-L140 HydrophobicContact CG2-CB 4.05Å; L124-L140 HydrophobicContact CD1-CD1 4.49Å; L140-I171 HydrophobicContact CB-CD1 4.21Å; L140-I171 HydrophobicContact CD2-CD1 4.05Å; L140-I171 HydrophobicContact CG-CD1 4.22Å; L140-I171 WeakPolarHBondContact O-CB 3.31Å; L140-I171 PolarHBondContact O-N 2.78Å; L140-I177 HydrophobicContact CD2-CD1 3.66Å; L140-I177 HydrophobicContact CD2-CG1 4.39Å; L140-L194 HydrophobicContact CD2-CB 4.45Å; L140-L194 HydrophobicContact CD2-CD1 3.86Å; L140-L194 HydrophobicContact CG-CB 4.48Å; L140-L196 HydrophobicContact CD1-CD1 4.43Å
141	Y	92.6	Very high	74.8	Confident	14 Å²	14	50.8 Å²	50.8	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134	173.3	-78	-100.3	0	0	0	110.2	C139 I143 R169 Q170 L194 E195 R197	C139-Y141 WeakPolarHBondContact SG-CE2 3.44Å; Y141-I143 WeakPolarHBondContact O-CD1 3.49Å; Y141-R169 CarbonylContact C-O 3.53Å; Y141-R169 WeakPolarHBondContact CA-O 3.18Å; Y141-R169 WeakPolarHBondContact CD1-O 3.39Å; Y141-Q170 HydrophobicContact CD1-CB 4.24Å; Y141-Q170 HydrophobicContact CE1-CB 3.9Å; Y141-L194 VanDerWaalsContact O-CA 3.31Å; Y141-L194 WeakPolarHBondContact O-CA 3.39Å; Y141-E195 PolarHBondContact N-O 3.5Å; Y141-E195 PolarHBondContact O-N 3.18Å; Y141-R197 HydrophobicContact CD2-CB 3.59Å; Y141-R197 HydrophobicContact CD2-CG 3.8Å; Y141-R197 HydrophobicContact CE2-CB 3.67Å; Y141-R197 HydrophobicContact CE2-CG 4.33Å; Y141-R197 HydrophobicContact CG-CG 4.43Å
142	E	92.8	Very high	73.6	Confident	12 Å²	12	46.8 Å²	46.8	6%	0.056	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	119.1	160.3	177.7	174	-143.6	0	0	107.6	I144 T168 R169 I171 L180 T184 R192 L194	E142-I144 HydrophobicContact CG-CD1 3.98Å; E142-T168 CarbonylContact O-C 3.56Å; E142-T168 WeakPolarHBondContact O-CA 3.08Å; E142-R169 HydrophobicContact CB-CB 4.29Å; E142-R169 PolarHBondContact N-O 3.32Å; E142-R169 PolarHBondContact O-N 3.42Å; E142-R169 WeakPolarHBondContact OE2-CD 3.22Å; E142-R169 IonicContact OE2-CZ 3.3Å; E142-R169 IonicContact OE2-NH1 3.9Å; E142-R169 PolarHBondContact OE2-NH1 3.31Å; E142-I171 HydrophobicContact CB-CD1 3.98Å; E142-I171 HydrophobicContact CB-CG1 3.9Å; E142-L180 HydrophobicContact CG-CD2 4.48Å; E142-T184 PolarHBondContact OE1-OG1 3.42Å; E142-R192 HydrophobicContact CG-CG 4.25Å; E142-R192 WeakPolarHBondContact OE1-CD 3.36Å; E142-R192 IonicContact OE1-NH1 2.66Å; E142-R192 PolarHBondContact OE1-NH1 3.19Å; E142-L194 HydrophobicContact CB-CD2 4.08Å; E142-L194 HydrophobicContact CG-CD2 4.35Å
143	I	89.3	Confident	72.6	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118.8	179.5	-61.2	112.9	0	0	0	109.2	Y141 F163 E165 N167 T168 R192 R193 E195	Y141-I143 WeakPolarHBondContact O-CD1 3.49Å; I143-F163 HydrophobicContact CG2-CE1 3.58Å; I143-F163 HydrophobicContact CG2-CZ 3.92Å; I143-E165 HydrophobicContact CG2-CB 4.27Å; I143-E165 HydrophobicContact CG2-CG 3.62Å; I143-N167 WeakPolarHBondContact CA-O 3.47Å; I143-T168 HydrophobicContact CB-CG2 4.47Å; I143-T168 HydrophobicContact CG1-CG2 3.92Å; I143-T168 HydrophobicContact CG2-CG2 4.07Å; I143-R192 CarbonylContact O-C 3.55Å; I143-R192 WeakPolarHBondContact O-CA 3.4Å; I143-R193 HydrophobicContact CB-CG 4.25Å; I143-R193 WeakPolarHBondContact CB-O 3.39Å; I143-R193 PolarHBondContact N-O 3.01Å; I143-R193 PolarHBondContact O-N 3.46Å; I143-E195 HydrophobicContact CD1-CB 3.59Å; I143-E195 HydrophobicContact CD1-CG 3.81Å
144	I	88	Confident	71.1	Confident	25 Å²	25	51.5 Å²	51.5	13%	0.128	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.9	172.9	-45.7	-56.8	0	0	0	107.3	E142 R166 N167 P186 L190 C191 R192	E142-I144 HydrophobicContact CG-CD1 3.98Å; I144-R166 WeakPolarHBondContact O-CA 3.41Å; I144-R166 WeakPolarHBondContact O-CB 3.5Å; I144-R166 PolarHBondContact O-N 2.82Å; I144-N167 HydrophobicContact CB-CB 4.3Å; I144-N167 PolarHBondContact N-O 2.96Å; I144-N167 PolarHBondContact O-N 2.95Å; I144-N167 VanDerWaalsContact O-O 3.13Å; I144-P186 HydrophobicContact CD1-CB 4.47Å; I144-P186 HydrophobicContact CG2-CB 4.14Å; I144-L190 HydrophobicContact CG2-CB 3.78Å; I144-L190 HydrophobicContact CG2-CD1 3.95Å; I144-L190 HydrophobicContact CG2-CD2 4.2Å; I144-L190 HydrophobicContact CG2-CG 4.2Å; I144-C191 WeakPolarHBondContact CA-O 3.21Å; I144-R192 HydrophobicContact CD1-CB 3.73Å; I144-R192 HydrophobicContact CD1-CG 3.77Å
145	G	82.1	Confident	68.7	Low	0 Å²	0	56 Å²	56	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	176.6	-177.6	0	0	0	0	0	111.9	T164 L190 C191	G145-T164 CarbonylContact C-O 3.6Å; G145-T164 WeakPolarHBondContact CA-O 3.03Å; G145-L190 CarbonylContact O-C 3.54Å; G145-L190 VanDerWaalsContact O-CA 3.31Å; G145-L190 WeakPolarHBondContact O-CA 3.36Å; G145-L190 WeakPolarHBondContact O-CD2 3.21Å; G145-C191 PolarHBondContact N-O 2.82Å; G145-C191 PolarHBondContact O-N 2.87Å
146	H	73.8	Confident	66.3	Low	33 Å²	33	52.3 Å²	52.3	15%	0.153	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	141.4	164.3	-64	-72.4	0	0	0	109.2	Q148 F163 T164 R166 G189 L190	H146-Q148 HydrophobicContact CB-CG 3.86Å; H146-F163 CarbonylContact O-C 3.53Å; H146-F163 WeakPolarHBondContact O-CA 3.41Å; H146-T164 PolarHBondContact N-O 3.38Å; H146-T164 PolarHBondContact O-N 2.68Å; H146-R166 PolarHBondContact CD2-NE 2.85Å; H146-R166 VanDerWaalsContact CD2-NE 3.27Å; H146-R166 VanDerWaalsContact NE2-CZ 3.26Å; H146-R166 PolarHBondContact NE2-NE 3.07Å; H146-R166 VanDerWaalsContact NE2-NE 3.13Å; H146-R166 PolarHBondContact NE2-NH2 2.99Å; H146-G189 PolarHBondContact ND1-O 3.48Å; H146-L190 WeakPolarHBondContact CE1-CD2 3.35Å
147	I	65.4	Low	64.2	Low	16 Å²	16	51.3 Å²	51.3	8%	0.082	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116.6	158.3	-51	168.7	0	0	0	106.5	Y73 P74 L77 W161 S162 F163 C191	Y73-I147 WeakPolarHBondContact CE1-O 3.3Å; P74-I147 HydrophobicContact CG-CD1 3.71Å; L77-I147 HydrophobicContact CD1-CD1 3.9Å; L77-I147 HydrophobicContact CD1-CG1 4.15Å; L77-I147 HydrophobicContact CD2-CD1 3.79Å; L77-I147 HydrophobicContact CG-CD1 4.11Å; I147-W161 HydrophobicContact CG2-CB 3.67Å; I147-W161 HydrophobicContact CG2-CD2 4.17Å; I147-W161 HydrophobicContact CG2-CE3 3.69Å; I147-W161 HydrophobicContact CG2-CG 4.22Å; I147-S162 CarbonylContact C-O 3.5Å; I147-S162 VanDerWaalsContact CA-O 3.3Å; I147-S162 WeakPolarHBondContact CA-O 3.24Å; I147-F163 HydrophobicContact CG1-CD2 3.97Å; I147-C191 HydrophobicContact CD1-CB 3.78Å; I147-C191 WeakPolarHBondContact CD1-SG 3.49Å; I147-C191 HydrophobicContact CG1-CB 3.75Å; I147-C191 VanDerWaalsContact CG1-SG 3.58Å
148	Q	56.4	Low	61.7	Low	98 Å²	98	51.6 Å²	51.6	46%	0.458	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135	178.2	-66.1	-169.4	-20	0	0	110.5	H146 V150 S162	H146-Q148 HydrophobicContact CB-CG 3.86Å; Q148-V150 PolarHBondContact O-N 3.32Å; Q148-S162 PolarHBondContact N-O 3.31Å; Q148-S162 PolarHBondContact O-N 3.4Å; Q148-S162 PolarHBondContact O-OG 2.79Å
149	P	47.2	Very low	59.2	Low	56 Å²	56	54.2 Å²	54.2	36%	0.364	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	125.3	169.9	29.8	-34.5	0	0	0	108.5	S151 P159 W161	P149-S151 PolarHBondContact O-N 2.82Å; P149-P159 HydrophobicContact CB-CB 3.61Å; P149-W161 HydrophobicContact CB-CE3 4.34Å
150	V	43.9	Very low	56.8	Low	58 Å²	58	55.4 Å²	55.4	35%	0.352	34%	0.337	S	S	.	.			trans	-68.1	123.3	175.4	179.5	0	0	0	0	107.8	Q148 S152 I160	Q148-V150 PolarHBondContact O-N 3.32Å; V150-S152 PolarHBondContact O-N 3.19Å; V150-I160 WeakPolarHBondContact CB-O 3.37Å; V150-I160 WeakPolarHBondContact CG2-O 3.46Å; V150-I160 PolarHBondContact N-O 3.14Å
151	S	40.3	Very low	54.6	Low	120 Å²	120	60.7 Å²	60.7	84%	0.839	36%	0.357	S	S	*	.			trans	-72.6	77.5	177.2	-47.4	0	0	0	0	110.9	P149	P149-S151 PolarHBondContact O-N 2.82Å
152	S	39	Very low	52.7	Low	35 Å²	35	61.6 Å²	61.6	25%	0.245	37%	0.365	C	S	.	.			trans	-66.9	128.5	169.7	51.1	0	0	0	0	109.9	V150 N154	V150-S152 PolarHBondContact O-N 3.19Å; S152-N154 PolarHBondContact O-N 3.27Å; S152-N154 PolarHBondContact OG-O 2.83Å
153	P	42.4	Very low	51.6	Low	123 Å²	123	61.9 Å²	61.9	80%	0.799	37%	0.367	S	S	*	.	S	Bend	trans	-73.1	-7.1	-179.4	29.6	-35.7	0	0	0	113.8
154	N	37.3	Very low	50.8	Low	84 Å²	84	64.2 Å²	64.2	45%	0.449	38%	0.381	S	S	.	.	S	Bend	trans	-96.2	134.2	172.7	-65.7	12.2	0	0	0	108.9	S152 S156 T339 S340	S152-N154 PolarHBondContact O-N 3.27Å; S152-N154 PolarHBondContact OG-O 2.83Å; N154-S156 PolarHBondContact O-N 2.85Å; N154-T339 PolarHBondContact ND2-O 3.18Å; N154-S340 VanDerWaalsContact CB-O 3.27Å; N154-S340 WeakPolarHBondContact CB-O 3.44Å
155	L	30.6	Very low	50.4	Low	171 Å²	171	64.5 Å²	64.5	90%	0.895	38%	0.382	S	S	*	.			trans	-69.4	119.4	177.7	-84.2	77.1	0	0	0	110.5
156	S	32.1	Very low	50.2	Low	34 Å²	34	72.9 Å²	72.9	24%	0.238	41%	0.413	C	S	.	.			trans	-125.7	149.5	173.6	60.9	0	0	0	0	109.7	N154 T158 N341	N154-S156 PolarHBondContact O-N 2.85Å; S156-T158 PolarHBondContact O-N 3.04Å; S156-T158 PolarHBondContact OG-O 3.44Å; S156-N341 VanDerWaalsContact CB-ND2 3.34Å; S156-N341 WeakPolarHBondContact CB-ND2 3.32Å; S156-N341 WeakPolarHBondContact CB-OD1 3.39Å; S156-N341 PolarHBondContact OG-ND2 2.93Å; S156-N341 PolarHBondContact OG-OD1 2.85Å
157	A	39.5	Very low	50.5	Low	108 Å²	108	76.2 Å²	76.2	89%	0.893	43%	0.432	S	S	*	.	S	Bend	trans	-76.3	-7.4	-179.7	0	0	0	0	0	113.7
158	T	31.9	Very low	51.3	Low	87 Å²	87	77.6 Å²	77.6	53%	0.534	44%	0.442	S	S	.	.	S	Bend	trans	-133.3	115.2	-175.9	47.2	0	0	0	0	110.6	S156 I160 N341	S156-T158 PolarHBondContact O-N 3.04Å; S156-T158 PolarHBondContact OG-O 3.44Å; T158-I160 PolarHBondContact O-N 3.31Å; T158-N341 PolarHBondContact O-ND2 3.45Å; T158-N341 PolarHBondContact OG1-ND2 3.44Å
159	P	35.3	Very low	52.7	Low	63 Å²	63	77 Å²	77	41%	0.409	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-62.2	131.7	171.7	23.2	-30.7	0	0	0	110.1	P149 W161	P149-P159 HydrophobicContact CB-CB 3.61Å; P159-W161 HydrophobicContact CG-CZ2 3.9Å; P159-W161 PolarHBondContact O-NE1 3.34Å; P159-W161 VanDerWaalsContact O-NE1 3.11Å
160	I	39.5	Very low	54.7	Low	26 Å²	26	78.4 Å²	78.4	13%	0.133	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-87.3	127.9	170.2	-64.6	168.2	0	0	0	107.6	V150 T158 N341 S343 S344	V150-I160 WeakPolarHBondContact CB-O 3.37Å; V150-I160 WeakPolarHBondContact CG2-O 3.46Å; V150-I160 PolarHBondContact N-O 3.14Å; T158-I160 PolarHBondContact O-N 3.31Å; I160-N341 HydrophobicContact CD1-CB 3.93Å; I160-N341 WeakPolarHBondContact CD1-ND2 3.33Å; I160-N341 WeakPolarHBondContact CD1-O 3.34Å; I160-N341 WeakPolarHBondContact CD1-OD1 3.4Å; I160-S343 WeakPolarHBondContact CB-OG 3.45Å; I160-S343 VanDerWaalsContact CD1-OG 3.22Å; I160-S343 WeakPolarHBondContact CD1-OG 3.43Å; I160-S343 VanDerWaalsContact CG2-OG 3.3Å; I160-S343 WeakPolarHBondContact CG2-OG 3.33Å; I160-S344 WeakPolarHBondContact CD1-OG 3.41Å
161	W	47.6	Very low	56.9	Low	112 Å²	112	75.6 Å²	75.6	42%	0.424	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.8	-167.9	-60.3	83.1	0	0	0	111.4	F71 Y73 I147 P149 P159	F71-W161 HydrophobicContact CD1-CH2 4.41Å; F71-W161 HydrophobicContact CE1-CZ2 4.33Å; Y73-W161 HydrophobicContact CD1-CZ3 4.44Å; Y73-W161 AromaticContact CE1-CZ3 3.95Å; Y73-W161 HydrophobicContact CE1-CZ3 3.95Å; I147-W161 HydrophobicContact CG2-CB 3.67Å; I147-W161 HydrophobicContact CG2-CD2 4.17Å; I147-W161 HydrophobicContact CG2-CE3 3.69Å; I147-W161 HydrophobicContact CG2-CG 4.22Å; P149-W161 HydrophobicContact CB-CE3 4.34Å; P159-W161 HydrophobicContact CG-CZ2 3.9Å; P159-W161 PolarHBondContact O-NE1 3.34Å; P159-W161 VanDerWaalsContact O-NE1 3.11Å
162	S	53.4	Low	59.2	Low	32 Å²	32	75 Å²	75	22%	0.224	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	150	170.7	65.2	0	0	0	0	111.1	I147 Q148	I147-S162 CarbonylContact C-O 3.5Å; I147-S162 VanDerWaalsContact CA-O 3.3Å; I147-S162 WeakPolarHBondContact CA-O 3.24Å; Q148-S162 PolarHBondContact N-O 3.31Å; Q148-S162 PolarHBondContact O-N 3.4Å; Q148-S162 PolarHBondContact O-OG 2.79Å
163	F	67.9	Low	61.6	Low	18 Å²	18	77.1 Å²	77.1	8%	0.079	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	105.4	174.6	178.8	-89.4	0	0	0	110	L77 I143 H146 I147 E165 C191 R193 C241	L77-F163 HydrophobicContact CD1-CD2 3.7Å; L77-F163 HydrophobicContact CD1-CE2 3.95Å; I143-F163 HydrophobicContact CG2-CE1 3.58Å; I143-F163 HydrophobicContact CG2-CZ 3.92Å; H146-F163 CarbonylContact O-C 3.53Å; H146-F163 WeakPolarHBondContact O-CA 3.41Å; I147-F163 HydrophobicContact CG1-CD2 3.97Å; F163-E165 HydrophobicContact CD1-CG 4.45Å; F163-E165 HydrophobicContact CE1-CG 4.1Å; F163-C191 HydrophobicContact CE2-CB 4.2Å; F163-C191 WeakPolarHBondContact CE2-O 3.21Å; F163-R193 HydrophobicContact CD1-CG 4.48Å; F163-R193 VanDerWaalsContact CD1-CZ 3.48Å; F163-R193 HydrophobicContact CE1-CG 3.84Å; F163-R193 HydrophobicContact CE2-CG 4.43Å; F163-R193 HydrophobicContact CZ-CB 4.46Å; F163-R193 HydrophobicContact CZ-CG 3.81Å; F163-C241 PolarHBondContact O-SG 2.88Å; F163-C241 VanDerWaalsContact O-SG 3.4Å
164	T	72.3	Confident	63.9	Low	50 Å²	50	78.3 Å²	78.3	31%	0.307	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	119.5	-177.6	-23	0	0	0	0	110.3	G145 H146 R166	G145-T164 CarbonylContact C-O 3.6Å; G145-T164 WeakPolarHBondContact CA-O 3.03Å; H146-T164 PolarHBondContact N-O 3.38Å; H146-T164 PolarHBondContact O-N 2.68Å; T164-R166 PolarHBondContact O-N 2.97Å
165	E	80.5	Confident	66.3	Low	31 Å²	31	76.5 Å²	76.5	15%	0.145	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	126	-179.1	-65.8	-177.3	-135.1	0	0	111.6	K99 I143 F163 T168 R197 S240	K99-E165 IonicContact NZ-OE1 2.9Å; K99-E165 PolarHBondContact NZ-OE1 3.24Å; K99-E165 IonicContact NZ-OE2 2.76Å; I143-E165 HydrophobicContact CG2-CB 4.27Å; I143-E165 HydrophobicContact CG2-CG 3.62Å; F163-E165 HydrophobicContact CD1-CG 4.45Å; F163-E165 HydrophobicContact CE1-CG 4.1Å; E165-T168 WeakPolarHBondContact OE2-CG2 3.41Å; E165-R197 IonicContact OE1-CZ 3.7Å; E165-R197 IonicContact OE1-NH2 3.94Å; E165-R197 PolarHBondContact OE1-NH2 3.16Å; E165-R197 IonicContact OE2-CZ 2.72Å; E165-R197 VanDerWaalsContact OE2-CZ 3.3Å; E165-R197 IonicContact OE2-NH1 3.6Å; E165-R197 PolarHBondContact OE2-NH1 2.88Å; E165-R197 IonicContact OE2-NH2 2.62Å; E165-R197 PolarHBondContact OE2-NH2 3.42Å; E165-S240 VanDerWaalsContact CD-CB 3.49Å; E165-S240 VanDerWaalsContact CG-CB 3.48Å; E165-S240 WeakPolarHBondContact OE1-CB 3.49Å
166	R	78.3	Confident	69.2	Low	175 Å²	175	69.9 Å²	69.9	66%	0.66	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	-38.4	176.7	-83.4	-74	-166.5	134.5	10.9	112.8	I144 H146 T164 L190	I144-R166 WeakPolarHBondContact O-CA 3.41Å; I144-R166 WeakPolarHBondContact O-CB 3.5Å; I144-R166 PolarHBondContact O-N 2.82Å; H146-R166 PolarHBondContact CD2-NE 2.85Å; H146-R166 VanDerWaalsContact CD2-NE 3.27Å; H146-R166 VanDerWaalsContact NE2-CZ 3.26Å; H146-R166 PolarHBondContact NE2-NE 3.07Å; H146-R166 VanDerWaalsContact NE2-NE 3.13Å; H146-R166 PolarHBondContact NE2-NH2 2.99Å; T164-R166 PolarHBondContact O-N 2.97Å; R166-L190 HydrophobicContact CB-CD2 4.13Å; R166-L190 HydrophobicContact CG-CD2 3.95Å
167	N	79.2	Confident	72	Confident	103 Å²	103	68.3 Å²	68.3	55%	0.551	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.2	145.8	176.3	-173.6	15.6	0	0	0	109.6	I143 I144	I143-N167 WeakPolarHBondContact CA-O 3.47Å; I144-N167 HydrophobicContact CB-CB 4.3Å; I144-N167 PolarHBondContact N-O 2.96Å; I144-N167 PolarHBondContact O-N 2.95Å; I144-N167 VanDerWaalsContact O-O 3.13Å
168	T	82.6	Confident	74.1	Confident	46 Å²	46	63.7 Å²	63.7	28%	0.282	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	116.4	177.5	65.8	0	0	0	0	110.3	E142 I143 E165 R239	E142-T168 CarbonylContact O-C 3.56Å; E142-T168 WeakPolarHBondContact O-CA 3.08Å; I143-T168 HydrophobicContact CB-CG2 4.47Å; I143-T168 HydrophobicContact CG1-CG2 3.92Å; I143-T168 HydrophobicContact CG2-CG2 4.07Å; E165-T168 WeakPolarHBondContact OE2-CG2 3.41Å; T168-R239 PolarHBondContact OG1-NH1 2.75Å
169	R	85.1	Confident	76.6	Confident	85 Å²	85	61.9 Å²	61.9	32%	0.321	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137	176.2	164.2	176.5	176.4	-144.6	6.4	109.2	Y141 E142 E175	Y141-R169 CarbonylContact C-O 3.53Å; Y141-R169 WeakPolarHBondContact CA-O 3.18Å; Y141-R169 WeakPolarHBondContact CD1-O 3.39Å; E142-R169 HydrophobicContact CB-CB 4.29Å; E142-R169 PolarHBondContact N-O 3.32Å; E142-R169 PolarHBondContact O-N 3.42Å; E142-R169 WeakPolarHBondContact OE2-CD 3.22Å; E142-R169 IonicContact OE2-CZ 3.3Å; E142-R169 IonicContact OE2-NH1 3.9Å; E142-R169 PolarHBondContact OE2-NH1 3.31Å; R169-E175 IonicContact CZ-OE1 3.77Å; R169-E175 IonicContact CZ-OE2 3.19Å; R169-E175 IonicContact NH1-OE1 2.69Å; R169-E175 IonicContact NH2-OE1 2.8Å; R169-E175 PolarHBondContact NH2-OE1 2.85Å; R169-E175 IonicContact NH2-OE2 2.73Å; R169-E175 PolarHBondContact NH2-OE2 3.39Å
170	Q	89.7	Confident	79	Confident	85 Å²	85	59.1 Å²	59.1	40%	0.397	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.1	163	178.6	171.2	-28.5	0	0	108.1	C139 Y141	C139-Q170 HydrophobicContact CB-CG 4.06Å; Y141-Q170 HydrophobicContact CD1-CB 4.24Å; Y141-Q170 HydrophobicContact CE1-CB 3.9Å
171	I	91	Very high	81.2	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-87.6	133.5	176.1	-53.8	171.7	0	0	0	107.8	A117 L140 E142 E175 I177 L180 L194	A117-I171 HydrophobicContact CB-CB 4.03Å; A117-I171 HydrophobicContact CB-CG2 3.55Å; L140-I171 HydrophobicContact CB-CD1 4.21Å; L140-I171 HydrophobicContact CD2-CD1 4.05Å; L140-I171 HydrophobicContact CG-CD1 4.22Å; L140-I171 WeakPolarHBondContact O-CB 3.31Å; L140-I171 PolarHBondContact O-N 2.78Å; E142-I171 HydrophobicContact CB-CD1 3.98Å; E142-I171 HydrophobicContact CB-CG1 3.9Å; I171-E175 HydrophobicContact CG2-CB 3.95Å; I171-E175 HydrophobicContact CG2-CG 4.07Å; I171-E175 WeakPolarHBondContact CG2-OE2 3.46Å; I171-I177 HydrophobicContact CD1-CD1 4.08Å; I171-I177 HydrophobicContact CG2-CD1 4.02Å; I171-L180 HydrophobicContact CB-CD1 4.43Å; I171-L180 HydrophobicContact CD1-CD1 3.93Å; I171-L180 HydrophobicContact CD1-CD2 4.49Å; I171-L180 HydrophobicContact CG1-CD1 3.8Å; I171-L180 HydrophobicContact CG2-CD1 3.82Å; I171-L194 HydrophobicContact CD1-CD1 4.27Å; I171-L194 HydrophobicContact CD1-CD2 3.92Å
172	D	88.6	Confident	82.8	Confident	108 Å²	108	57.6 Å²	57.6	58%	0.578	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-67.8	142.4	-179.9	-81.5	-52.1	0	0	0	111.3	A117 N174 E175	A117-D172 WeakPolarHBondContact CB-O 3.4Å; D172-N174 PolarHBondContact O-N 3.26Å; D172-E175 HydrophobicContact CB-CB 4.02Å; D172-E175 WeakPolarHBondContact O-CB 3.43Å; D172-E175 PolarHBondContact O-N 3.02Å
173	L	88.5	Confident	84.2	Confident	78 Å²	78	62.3 Å²	62.3	41%	0.408	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-24.6	-175.7	-64.4	172.4	0	0	0	113.5	T116 G118	T116-L173 VanDerWaalsContact CB-O 3.23Å; T116-L173 WeakPolarHBondContact CB-O 3.19Å; T116-L173 PolarHBondContact OG1-O 3.4Å; G118-L173 WeakPolarHBondContact CA-O 3.19Å; G118-L173 PolarHBondContact N-O 3.09Å
174	N	90.2	Very high	84.6	Confident	148 Å²	148	64.1 Å²	64.1	79%	0.791	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-9.3	177	-62.9	-23	0	0	0	113.3	T116 D172	T116-N174 WeakPolarHBondContact CG2-O 3.37Å; D172-N174 PolarHBondContact O-N 3.26Å
175	E	89.2	Confident	84.8	Confident	46 Å²	46	67.7 Å²	67.7	22%	0.215	34%	0.34	C	S	.	.	S	Bend	trans	-72.4	133.1	179.5	-179	168.6	-159.3	0	0	110.5	T116 A117 R169 I171 D172 L180	T116-E175 CarbonylContact C-O 3.59Å; T116-E175 WeakPolarHBondContact CA-O 3.44Å; T116-E175 WeakPolarHBondContact CB-O 3.48Å; A117-E175 PolarHBondContact N-O 3.21Å; R169-E175 IonicContact CZ-OE1 3.77Å; R169-E175 IonicContact CZ-OE2 3.19Å; R169-E175 IonicContact NH1-OE1 2.69Å; R169-E175 IonicContact NH2-OE1 2.8Å; R169-E175 PolarHBondContact NH2-OE1 2.85Å; R169-E175 IonicContact NH2-OE2 2.73Å; R169-E175 PolarHBondContact NH2-OE2 3.39Å; I171-E175 HydrophobicContact CG2-CB 3.95Å; I171-E175 HydrophobicContact CG2-CG 4.07Å; I171-E175 WeakPolarHBondContact CG2-OE2 3.46Å; D172-E175 HydrophobicContact CB-CB 4.02Å; D172-E175 WeakPolarHBondContact O-CB 3.43Å; D172-E175 PolarHBondContact O-N 3.02Å; E175-L180 HydrophobicContact CG-CB 4.48Å; E175-L180 HydrophobicContact CG-CD1 4.48Å
176	N	90.6	Very high	84.6	Confident	33 Å²	33	66.6 Å²	66.6	18%	0.176	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-78.4	122.7	-177.2	-176.2	-58.6	0	0	0	110.3	G113 I178 S179 L180	G113-N176 PolarHBondContact O-ND2 2.94Å; N176-I178 PolarHBondContact O-N 3.11Å; N176-I178 PolarHBondContact OD1-N 2.73Å; N176-S179 WeakPolarHBondContact CB-OG 3.34Å; N176-S179 VanDerWaalsContact CG-OG 3.31Å; N176-S179 PolarHBondContact O-N 3.16Å; N176-S179 PolarHBondContact OD1-N 3.03Å; N176-S179 PolarHBondContact OD1-OG 3.01Å; N176-L180 PolarHBondContact O-N 2.86Å
177	I	90.3	Very high	84.4	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-66.1	-38.7	-174.6	-64.7	-57.1	0	0	0	112	L93 I111 T115 A117 V120 L140 I171 L180 L181 L194	L93-I177 HydrophobicContact CD1-CG2 4.09Å; L93-I177 HydrophobicContact CD2-CG2 3.89Å; I111-I177 HydrophobicContact CD1-CG2 3.92Å; T115-I177 PolarHBondContact O-N 3.07Å; A117-I177 HydrophobicContact CB-CD1 3.67Å; A117-I177 HydrophobicContact CB-CG1 4.38Å; V120-I177 HydrophobicContact CG2-CG1 4.03Å; L140-I177 HydrophobicContact CD2-CD1 3.66Å; L140-I177 HydrophobicContact CD2-CG1 4.39Å; I171-I177 HydrophobicContact CD1-CD1 4.08Å; I171-I177 HydrophobicContact CG2-CD1 4.02Å; I177-L180 PolarHBondContact O-N 3.38Å; I177-L181 HydrophobicContact CG2-CD1 3.69Å; I177-L181 HydrophobicContact CG2-CG 4.32Å; I177-L181 WeakPolarHBondContact O-CB 3.41Å; I177-L181 WeakPolarHBondContact O-CG 3.5Å; I177-L181 PolarHBondContact O-N 3.05Å; I177-L194 HydrophobicContact CG2-CD1 4.11Å
178	I	85.2	Confident	84	Confident	11 Å²	11	66 Å²	66	6%	0.056	34%	0.339	C	S	.	.	H	α-helix	trans	-68.9	-41	177.9	-61.8	-170.3	0	0	0	110.1	H91 I111 N112 N176 L181 Q182	H91-I178 HydrophobicContact CB-CD1 4.26Å; I111-I178 HydrophobicContact CD1-CD1 4.19Å; I111-I178 HydrophobicContact CD1-CG1 3.66Å; I111-I178 HydrophobicContact CG1-CD1 4.09Å; I111-I178 HydrophobicContact CG1-CG1 4.12Å; N112-I178 WeakPolarHBondContact O-CD1 3.19Å; N176-I178 PolarHBondContact O-N 3.11Å; N176-I178 PolarHBondContact OD1-N 2.73Å; I178-L181 PolarHBondContact O-N 2.96Å; I178-Q182 HydrophobicContact CG2-CG 4.22Å; I178-Q182 WeakPolarHBondContact O-CB 3.48Å; I178-Q182 VanDerWaalsContact O-CG 3.29Å; I178-Q182 WeakPolarHBondContact O-CG 3.42Å; I178-Q182 PolarHBondContact O-N 3.34Å
179	S	84.2	Confident	83.5	Confident	49 Å²	49	65.4 Å²	65.4	34%	0.343	34%	0.343	S	S	.	.	H	α-helix	trans	-63.4	-40.6	174.8	-51.4	0	0	0	0	112.7	N176 N183	N176-S179 WeakPolarHBondContact CB-OG 3.34Å; N176-S179 VanDerWaalsContact CG-OG 3.31Å; N176-S179 PolarHBondContact O-N 3.16Å; N176-S179 PolarHBondContact OD1-N 3.03Å; N176-S179 PolarHBondContact OD1-OG 3.01Å; S179-N183 WeakPolarHBondContact O-CB 3.46Å; S179-N183 PolarHBondContact O-N 3.22Å; S179-N183 PolarHBondContact O-ND2 3.1Å
180	L	85.2	Confident	83.2	Confident	5 Å²	5	63.3 Å²	63.3	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-61.3	-48.8	173.7	174.2	149.2	0	0	0	110.9	E142 I171 E175 N176 I177 Q182 T184 R192	E142-L180 HydrophobicContact CG-CD2 4.48Å; I171-L180 HydrophobicContact CB-CD1 4.43Å; I171-L180 HydrophobicContact CD1-CD1 3.93Å; I171-L180 HydrophobicContact CD1-CD2 4.49Å; I171-L180 HydrophobicContact CG1-CD1 3.8Å; I171-L180 HydrophobicContact CG2-CD1 3.82Å; E175-L180 HydrophobicContact CG-CB 4.48Å; E175-L180 HydrophobicContact CG-CD1 4.48Å; N176-L180 PolarHBondContact O-N 2.86Å; I177-L180 PolarHBondContact O-N 3.38Å; L180-Q182 VanDerWaalsContact C-N 3.3Å; L180-Q182 PolarHBondContact O-N 3.3Å; L180-T184 PolarHBondContact O-N 3.27Å; L180-T184 PolarHBondContact O-OG1 2.84Å; L180-T184 VanDerWaalsContact O-OG1 3.07Å; L180-R192 PolarHBondContact O-NH1 3.48Å
181	L	85.4	Confident	82.7	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-66.8	-30.1	-177.6	-68.7	169.4	0	0	0	113.1	W79 L93 I177 I178 R192 L194	W79-L181 HydrophobicContact CB-CD1 4.06Å; W79-L181 HydrophobicContact CD2-CB 4.36Å; W79-L181 HydrophobicContact CD2-CD1 4.11Å; W79-L181 HydrophobicContact CE3-CB 4.44Å; W79-L181 HydrophobicContact CG-CD1 3.74Å; L93-L181 HydrophobicContact CD1-CD1 3.8Å; I177-L181 HydrophobicContact CG2-CD1 3.69Å; I177-L181 HydrophobicContact CG2-CG 4.32Å; I177-L181 WeakPolarHBondContact O-CB 3.41Å; I177-L181 WeakPolarHBondContact O-CG 3.5Å; I177-L181 PolarHBondContact O-N 3.05Å; I178-L181 PolarHBondContact O-N 2.96Å; L181-R192 PolarHBondContact O-NH2 3.19Å; L181-L194 HydrophobicContact CD2-CD1 4.41Å
182	Q	82.2	Confident	82.5	Confident	102 Å²	102	59.4 Å²	59.4	48%	0.477	32%	0.319	S	S	.	.	H	α-helix	trans	-87.4	-38.6	178.9	-71	175.4	-18.9	0	0	113.7	W79 I178 L180	W79-Q182 HydrophobicContact CH2-CG 3.87Å; W79-Q182 HydrophobicContact CZ2-CG 4.31Å; I178-Q182 HydrophobicContact CG2-CG 4.22Å; I178-Q182 WeakPolarHBondContact O-CB 3.48Å; I178-Q182 VanDerWaalsContact O-CG 3.29Å; I178-Q182 WeakPolarHBondContact O-CG 3.42Å; I178-Q182 PolarHBondContact O-N 3.34Å; L180-Q182 VanDerWaalsContact C-N 3.3Å; L180-Q182 PolarHBondContact O-N 3.3Å
183	N	81.8	Confident	82.4	Confident	132 Å²	132	55.4 Å²	55.4	71%	0.706	30%	0.296	S	S	*	.	H	α-helix	trans	-85.1	-20.1	-174	-63.5	-19.7	0	0	0	113.4	S179	S179-N183 WeakPolarHBondContact O-CB 3.46Å; S179-N183 PolarHBondContact O-N 3.22Å; S179-N183 PolarHBondContact O-ND2 3.1Å
184	T	76.7	Confident	82.6	Confident	56 Å²	56	51.7 Å²	51.7	34%	0.344	28%	0.277	S	S	.	.			trans	-115.4	140.6	171.3	74.1	0	0	0	0	110.2	E142 L180 R192	E142-T184 PolarHBondContact OE1-OG1 3.42Å; L180-T184 PolarHBondContact O-N 3.27Å; L180-T184 PolarHBondContact O-OG1 2.84Å; L180-T184 VanDerWaalsContact O-OG1 3.07Å; T184-R192 PolarHBondContact O-NH1 2.94Å; T184-R192 PolarHBondContact O-NH2 3.03Å; T184-R192 VanDerWaalsContact O-NH2 3.12Å; T184-R192 PolarHBondContact OG1-NH1 3.25Å
185	I	76.7	Confident	82.6	Confident	124 Å²	124	44.7 Å²	44.7	64%	0.636	24%	0.24	S	C	*	.			trans	-125.8	131.6	176.6	-54.8	176.2	0	0	0	106.5	K75	K75-I185 HydrophobicContact CD-CG2 4.04Å
186	P	76.2	Confident	82.7	Confident	9 Å²	9	42.5 Å²	42.5	6%	0.058	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-62.6	144.1	174.5	24.8	-31.8	0	0	0	111	K75 I144 L190 R192	K75-P186 HydrophobicContact CB-CG 3.96Å; K75-P186 VanDerWaalsContact O-CG 3.32Å; K75-P186 WeakPolarHBondContact O-CG 3.27Å; I144-P186 HydrophobicContact CD1-CB 4.47Å; I144-P186 HydrophobicContact CG2-CB 4.14Å; P186-L190 HydrophobicContact CB-CB 4.06Å; P186-R192 HydrophobicContact CB-CB 4.49Å; P186-R192 HydrophobicContact CG-CB 4.12Å
187	G	73.3	Confident	82.6	Confident	40 Å²	40	41.2 Å²	41.2	41%	0.412	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-61.7	166.9	179.8	0	0	0	0	0	113.2	G189 L190	G187-G189 PolarHBondContact O-N 3.34Å; G187-L190 WeakPolarHBondContact O-CB 3.34Å; G187-L190 PolarHBondContact O-N 3.42Å
188	Y	71.9	Confident	82.3	Confident	224 Å²	224	43.9 Å²	43.9	88%	0.878	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	131.5	-179.2	-75.9	-87.1	0	0	0	112.3	L190	Y188-L190 PolarHBondContact O-N 3.12Å
189	G	70.6	Confident	82	Confident	35 Å²	35	45.2 Å²	45.2	36%	0.361	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	-0.5	-175.3	0	0	0	0	0	115.4	H146 G187	H146-G189 PolarHBondContact ND1-O 3.48Å; G187-G189 PolarHBondContact O-N 3.34Å
190	L	78.9	Confident	81.1	Confident	41 Å²	41	47.3 Å²	47.3	22%	0.215	26%	0.255	C	S	.	.			trans	-102.1	151.4	173.7	-64.6	163.8	0	0	0	111.3	I144 G145 H146 R166 P186 G187 Y188	I144-L190 HydrophobicContact CG2-CB 3.78Å; I144-L190 HydrophobicContact CG2-CD1 3.95Å; I144-L190 HydrophobicContact CG2-CD2 4.2Å; I144-L190 HydrophobicContact CG2-CG 4.2Å; G145-L190 CarbonylContact O-C 3.54Å; G145-L190 VanDerWaalsContact O-CA 3.31Å; G145-L190 WeakPolarHBondContact O-CA 3.36Å; G145-L190 WeakPolarHBondContact O-CD2 3.21Å; H146-L190 WeakPolarHBondContact CE1-CD2 3.35Å; R166-L190 HydrophobicContact CB-CD2 4.13Å; R166-L190 HydrophobicContact CG-CD2 3.95Å; P186-L190 HydrophobicContact CB-CB 4.06Å; G187-L190 WeakPolarHBondContact O-CB 3.34Å; G187-L190 PolarHBondContact O-N 3.42Å; Y188-L190 PolarHBondContact O-N 3.12Å
191	C	79.7	Confident	78.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.6	180	-56.8	0	0	0	0	109	P74 K75 I144 G145 I147 F163	P74-C191 WeakPolarHBondContact O-CB 3.39Å; P74-C191 PolarHBondContact O-SG 3.19Å; K75-C191 CarbonylContact O-C 3.6Å; K75-C191 WeakPolarHBondContact O-CA 3.12Å; I144-C191 WeakPolarHBondContact CA-O 3.21Å; G145-C191 PolarHBondContact N-O 2.82Å; G145-C191 PolarHBondContact O-N 2.87Å; I147-C191 HydrophobicContact CD1-CB 3.78Å; I147-C191 WeakPolarHBondContact CD1-SG 3.49Å; I147-C191 HydrophobicContact CG1-CB 3.75Å; I147-C191 VanDerWaalsContact CG1-SG 3.58Å; F163-C191 HydrophobicContact CE2-CB 4.2Å; F163-C191 WeakPolarHBondContact CE2-O 3.21Å
192	R	87.1	Confident	76.3	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	135.5	-179.3	175.6	170.3	55.4	-170.6	-5.4	110.7	K75 D76 L77 E142 I143 I144 L180 L181 T184 P186 L194	K75-R192 PolarHBondContact O-N 2.83Å; D76-R192 IonicContact OD1-CZ 3.17Å; D76-R192 IonicContact OD1-NE 3.99Å; D76-R192 PolarHBondContact OD1-NE 3.46Å; D76-R192 IonicContact OD1-NH2 3.12Å; D76-R192 PolarHBondContact OD1-NH2 3.29Å; D76-R192 IonicContact OD2-CZ 3.12Å; D76-R192 IonicContact OD2-NE 3.63Å; D76-R192 IonicContact OD2-NH2 2.7Å; D76-R192 PolarHBondContact OD2-NH2 3.48Å; L77-R192 PolarHBondContact N-O 3.32Å; E142-R192 HydrophobicContact CG-CG 4.25Å; E142-R192 WeakPolarHBondContact OE1-CD 3.36Å; E142-R192 IonicContact OE1-NH1 2.66Å; E142-R192 PolarHBondContact OE1-NH1 3.19Å; I143-R192 CarbonylContact O-C 3.55Å; I143-R192 WeakPolarHBondContact O-CA 3.4Å; I144-R192 HydrophobicContact CD1-CB 3.73Å; I144-R192 HydrophobicContact CD1-CG 3.77Å; L180-R192 PolarHBondContact O-NH1 3.48Å; L181-R192 PolarHBondContact O-NH2 3.19Å; T184-R192 PolarHBondContact O-NH1 2.94Å; T184-R192 PolarHBondContact O-NH2 3.03Å; T184-R192 VanDerWaalsContact O-NH2 3.12Å; T184-R192 PolarHBondContact OG1-NH1 3.25Å; P186-R192 HydrophobicContact CB-CB 4.49Å; P186-R192 HydrophobicContact CG-CB 4.12Å; R192-L194 HydrophobicContact CG-CD2 4.5Å
193	R	87.4	Confident	73.7	Confident	25 Å²	25	56.9 Å²	56.9	9%	0.094	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.7	164.9	79.1	-174.3	-167.1	-178.5	6.8	110.4	L77 F96 I143 F163 E195	L77-R193 HydrophobicContact CB-CB 4.04Å; L77-R193 HydrophobicContact CD1-CB 4.39Å; F96-R193 HydrophobicContact CD2-CB 4.04Å; F96-R193 HydrophobicContact CD2-CG 4.39Å; F96-R193 HydrophobicContact CE2-CB 4.01Å; I143-R193 HydrophobicContact CB-CG 4.25Å; I143-R193 WeakPolarHBondContact CB-O 3.39Å; I143-R193 PolarHBondContact N-O 3.01Å; I143-R193 PolarHBondContact O-N 3.46Å; F163-R193 HydrophobicContact CD1-CG 4.48Å; F163-R193 VanDerWaalsContact CD1-CZ 3.48Å; F163-R193 HydrophobicContact CE1-CG 3.84Å; F163-R193 HydrophobicContact CE2-CG 4.43Å; F163-R193 HydrophobicContact CZ-CB 4.46Å; F163-R193 HydrophobicContact CZ-CG 3.81Å; R193-E195 IonicContact CZ-OE1 3.23Å; R193-E195 IonicContact NE-OE1 2.67Å; R193-E195 PolarHBondContact NE-OE1 2.63Å; R193-E195 IonicContact NH2-OE1 3.79Å; R193-E195 PolarHBondContact NH2-OE1 2.73Å
194	L	91.2	Very high	71.2	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.8	174.3	-56.6	-164.4	0	0	0	108.9	S78 L93 I95 F96 L140 Y141 E142 I171 I177 L181 R192	S78-L194 PolarHBondContact OG-N 3.22Å; S78-L194 PolarHBondContact OG-O 3.43Å; L93-L194 HydrophobicContact CD1-CD1 4.01Å; L93-L194 HydrophobicContact CD2-CD1 4.33Å; I95-L194 HydrophobicContact CD1-CB 3.38Å; I95-L194 HydrophobicContact CD1-CD1 4.16Å; I95-L194 HydrophobicContact CD1-CG 4.36Å; F96-L194 PolarHBondContact N-O 2.93Å; L140-L194 HydrophobicContact CD2-CB 4.45Å; L140-L194 HydrophobicContact CD2-CD1 3.86Å; L140-L194 HydrophobicContact CG-CB 4.48Å; Y141-L194 VanDerWaalsContact O-CA 3.31Å; Y141-L194 WeakPolarHBondContact O-CA 3.39Å; E142-L194 HydrophobicContact CB-CD2 4.08Å; E142-L194 HydrophobicContact CG-CD2 4.35Å; I171-L194 HydrophobicContact CD1-CD1 4.27Å; I171-L194 HydrophobicContact CD1-CD2 3.92Å; I177-L194 HydrophobicContact CG2-CD1 4.11Å; L181-L194 HydrophobicContact CD2-CD1 4.41Å; R192-L194 HydrophobicContact CG-CD2 4.5Å
195	E	91.1	Very high	68.8	Low	1 Å²	1	55.4 Å²	55.4	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144	173.5	-77.1	169.2	-129.5	0	0	110.9	F96 K99 Y141 I143 R193 R197	F96-E195 HydrophobicContact CB-CG 3.53Å; F96-E195 VanDerWaalsContact O-CA 3.24Å; F96-E195 WeakPolarHBondContact O-CA 3.39Å; F96-E195 WeakPolarHBondContact O-CB 3.29Å; K99-E195 WeakPolarHBondContact CD-OE2 3.15Å; K99-E195 WeakPolarHBondContact CE-OE2 3.04Å; K99-E195 WeakPolarHBondContact CG-OE2 3.12Å; K99-E195 IonicContact NZ-OE2 2.71Å; Y141-E195 PolarHBondContact N-O 3.5Å; Y141-E195 PolarHBondContact O-N 3.18Å; I143-E195 HydrophobicContact CD1-CB 3.59Å; I143-E195 HydrophobicContact CD1-CG 3.81Å; R193-E195 IonicContact CZ-OE1 3.23Å; R193-E195 IonicContact NE-OE1 2.67Å; R193-E195 PolarHBondContact NE-OE1 2.63Å; R193-E195 IonicContact NH2-OE1 3.79Å; R193-E195 PolarHBondContact NH2-OE1 2.73Å; E195-R197 HydrophobicContact CB-CG 3.9Å; E195-R197 IonicContact OE1-CZ 3.84Å; E195-R197 IonicContact OE1-NE 2.77Å; E195-R197 IonicContact OE1-NH2 2.88Å; E195-R197 PolarHBondContact OE1-NH2 2.82Å; E195-R197 IonicContact OE2-CZ 3.74Å; E195-R197 IonicContact OE2-NE 3.24Å; E195-R197 PolarHBondContact OE2-NE 3.39Å; E195-R197 IonicContact OE2-NH2 3.86Å; E195-R197 PolarHBondContact OE2-NH2 3.4Å
196	L	91.6	Very high	66.2	Low	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	126.2	158.1	-168.6	67	0	0	0	107.6	I95 F96 V100 V121 L124 V125 Y129 F138 L140	I95-L196 HydrophobicContact CG2-CB 3.87Å; I95-L196 VanDerWaalsContact CG2-N 3.3Å; F96-L196 PolarHBondContact O-N 2.96Å; F96-L196 VanDerWaalsContact O-N 3.1Å; V100-L196 HydrophobicContact CG2-CB 4.13Å; V100-L196 HydrophobicContact CG2-CD2 4.03Å; V100-L196 HydrophobicContact CG2-CG 3.95Å; V100-L196 WeakPolarHBondContact CG2-O 3.42Å; V121-L196 HydrophobicContact CB-CD1 4.44Å; V121-L196 HydrophobicContact CG1-CD1 4.32Å; V121-L196 HydrophobicContact CG2-CD1 3.94Å; L124-L196 HydrophobicContact CB-CD2 3.87Å; L124-L196 HydrophobicContact CD1-CB 4.07Å; L124-L196 HydrophobicContact CD1-CD1 4.17Å; L124-L196 HydrophobicContact CD1-CD2 3.99Å; L124-L196 HydrophobicContact CD1-CG 4.32Å; V125-L196 HydrophobicContact CG2-CD2 4.28Å; Y129-L196 HydrophobicContact CD2-CD2 3.62Å; Y129-L196 HydrophobicContact CE2-CD2 4.34Å; Y129-L196 HydrophobicContact CG-CD2 4.14Å; F138-L196 HydrophobicContact CB-CD1 3.83Å; F138-L196 HydrophobicContact CB-CG 4.28Å; F138-L196 HydrophobicContact CD1-CG 4.23Å; F138-L196 HydrophobicContact CG-CD1 4.44Å; F138-L196 HydrophobicContact CG-CG 4.39Å; L140-L196 HydrophobicContact CD1-CD1 4.43Å
197	R	88.3	Confident	63.8	Low	5 Å²	5	57.2 Å²	57.2	2%	0.019	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	153	174.9	-52.2	178.8	171	-178	-7	109.3	K99 C139 Y141 E165 E195 R239	K99-R197 HydrophobicContact CB-CG 4.38Å; K99-R197 HydrophobicContact CD-CG 4.5Å; C139-R197 PolarHBondContact N-O 3.47Å; C139-R197 PolarHBondContact O-N 2.89Å; C139-R197 VanDerWaalsContact O-N 3.11Å; C139-R197 VanDerWaalsContact O-O 3.05Å; Y141-R197 HydrophobicContact CD2-CB 3.59Å; Y141-R197 HydrophobicContact CD2-CG 3.8Å; Y141-R197 HydrophobicContact CE2-CB 3.67Å; Y141-R197 HydrophobicContact CE2-CG 4.33Å; Y141-R197 HydrophobicContact CG-CG 4.43Å; E165-R197 IonicContact OE1-CZ 3.7Å; E165-R197 IonicContact OE1-NH2 3.94Å; E165-R197 PolarHBondContact OE1-NH2 3.16Å; E165-R197 IonicContact OE2-CZ 2.72Å; E165-R197 VanDerWaalsContact OE2-CZ 3.3Å; E165-R197 IonicContact OE2-NH1 3.6Å; E165-R197 PolarHBondContact OE2-NH1 2.88Å; E165-R197 IonicContact OE2-NH2 2.62Å; E165-R197 PolarHBondContact OE2-NH2 3.42Å; E195-R197 HydrophobicContact CB-CG 3.9Å; E195-R197 IonicContact OE1-CZ 3.84Å; E195-R197 IonicContact OE1-NE 2.77Å; E195-R197 IonicContact OE1-NH2 2.88Å; E195-R197 PolarHBondContact OE1-NH2 2.82Å; E195-R197 IonicContact OE2-CZ 3.74Å; E195-R197 IonicContact OE2-NE 3.24Å; E195-R197 PolarHBondContact OE2-NE 3.39Å; E195-R197 IonicContact OE2-NH2 3.86Å; E195-R197 PolarHBondContact OE2-NH2 3.4Å; R197-R239 VanDerWaalsContact NH1-CZ 3.34Å
198	P	83.5	Confident	61.4	Low	57 Å²	57	58.6 Å²	58.6	37%	0.37	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	152.9	171.5	24.9	-33.7	0	0	0	112.2	D137 F138 N200	D137-P198 CarbonylContact O-C 3.43Å; D137-P198 VanDerWaalsContact O-CA 3.23Å; D137-P198 WeakPolarHBondContact O-CA 3.45Å; F138-P198 HydrophobicContact CD1-CB 4.39Å; F138-P198 HydrophobicContact CE1-CB 4.34Å; P198-N200 PolarHBondContact O-N 3.42Å
199	V	79.9	Confident	59.1	Low	39 Å²	39	54.1 Å²	54.1	24%	0.236	32%	0.324	C	S	.	.			trans	-74.3	115.7	176.3	177.5	0	0	0	0	109.7	D136 D137 C139 N201	D136-V199 WeakPolarHBondContact O-CG2 3.36Å; D137-V199 PolarHBondContact O-N 3.32Å; C139-V199 HydrophobicContact CB-CG2 3.92Å; V199-N201 PolarHBondContact O-N 3.11Å; V199-N201 VanDerWaalsContact O-N 3.08Å
200	N	64.3	Low	56.9	Low	93 Å²	93	57.5 Å²	57.5	50%	0.497	33%	0.329	S	S	.	.			trans	-81.4	86.5	-177.4	-84.1	3.2	0	0	0	112	P198 G202	P198-N200 PolarHBondContact O-N 3.42Å; N200-G202 VanDerWaalsContact C-N 3.33Å; N200-G202 PolarHBondContact O-N 3.16Å
201	N	39.2	Very low	54.3	Low	131 Å²	131	61.3 Å²	61.3	70%	0.701	35%	0.347	S	S	*	.			trans	-72.7	72	176.8	-83.3	-26.8	0	0	0	114.3	V199 Y203	V199-N201 PolarHBondContact O-N 3.11Å; V199-N201 VanDerWaalsContact O-N 3.08Å; N201-Y203 WeakPolarHBondContact O-CD2 3.14Å; N201-Y203 PolarHBondContact O-N 3.28Å
202	G	31.6	Very low	51.7	Low	43 Å²	43	69.5 Å²	69.5	44%	0.443	38%	0.383	S	S	.	.	S	Bend	trans	65.1	-25.7	150.2	0	0	0	0	0	121.1	N200 T234	N200-G202 VanDerWaalsContact C-N 3.33Å; N200-G202 PolarHBondContact O-N 3.16Å; G202-T234 PolarHBondContact O-N 3.03Å
203	Y	27.8	Very low	48.6	Very low	137 Å²	137	77.3 Å²	77.3	54%	0.537	42%	0.419	S	S	.	.			trans	-106.6	135	165	-36.7	-109.5	0	0	0	107.6	N201 S231 Q232	N201-Y203 WeakPolarHBondContact O-CD2 3.14Å; N201-Y203 PolarHBondContact O-N 3.28Å; Y203-S231 VanDerWaalsContact OH-CA 3.25Å; Y203-S231 WeakPolarHBondContact OH-CA 3.47Å; Y203-S231 WeakPolarHBondContact OH-CB 3.45Å; Y203-Q232 VanDerWaalsContact CE1-C 3.45Å; Y203-Q232 WeakPolarHBondContact CE1-O 3.29Å
204	N	27.8	Very low	45.4	Very low	50 Å²	50	81 Å²	81	27%	0.267	45%	0.449	S	S	.	.			trans	-165.8	128.2	-177.1	46.1	-35.1	0	0	0	105.5	T234 L235 N236	N204-T234 CarbonylContact O-C 3.56Å; N204-L235 CarbonylContact O-C 3.49Å; N204-L235 WeakPolarHBondContact O-CA 3.33Å; N204-L235 PolarHBondContact O-N 3.1Å; N204-L235 WeakPolarHBondContact OD1-CA 3.27Å; N204-N236 HydrophobicContact CB-CB 3.77Å; N204-N236 PolarHBondContact ND2-N 3.45Å; N204-N236 PolarHBondContact ND2-O 3.22Å; N204-N236 PolarHBondContact O-N 3.36Å; N204-N236 VanDerWaalsContact O-N 3.11Å
205	T	26.2	Very low	42.1	Very low	108 Å²	108	92.2 Å²	92.2	66%	0.663	49%	0.491	S	S	*	.			trans	-144.5	154.4	172.6	-8.5	0	0	0	0	106.5	N236	T205-N236 PolarHBondContact O-ND2 2.85Å
206	T	23.6	Very low	38.8	Very low	117 Å²	117	98 Å²	98	72%	0.718	53%	0.532	S	S	*	.	S	Bend	trans	-68.5	126.3	-179.3	46.4	0	0	0	0	110.8	N236	T206-N236 WeakPolarHBondContact CG2-OD1 3.47Å; T206-N236 PolarHBondContact N-ND2 3.35Å
207	G	24	Very low	35.6	Very low	53 Å²	53	103.9 Å²	103.9	55%	0.546	57%	0.568	S	S	.	*			trans	171.3	15.4	175.7	0	0	0	0	0	124.6	K677	G207-K677 PolarHBondContact O-NZ 3.42Å
208	S	24.1	Very low	32.4	Very low	70 Å²	70	110 Å²	110	49%	0.49	60%	0.6	S	S	.	*			trans	62.3	171.6	170.4	-167.2	0	0	0	0	116.3	K677 N679	S208-K677 WeakPolarHBondContact O-CE 3.47Å; S208-K677 PolarHBondContact O-NZ 3.45Å; S208-K677 VanDerWaalsContact O-NZ 3.13Å; S208-K677 WeakPolarHBondContact OG-CG 3.41Å; S208-N679 PolarHBondContact OG-OD1 2.95Å
209	M	22.7	Very low	29.4	Very low	129 Å²	129	113.3 Å²	113.3	64%	0.635	62%	0.624	S	S	*	*			trans	-119.5	106.4	-166.5	-63.1	161	45.9	0	0	115.5	D675 G676 K677	M209-D675 VanDerWaalsContact C-OD2 3.25Å; M209-D675 WeakPolarHBondContact CB-OD2 3.16Å; M209-D675 WeakPolarHBondContact CE-OD1 3.37Å; M209-G676 CarbonylContact O-C 3.53Å; M209-G676 WeakPolarHBondContact O-CA 3.33Å; M209-K677 WeakPolarHBondContact O-CA 3.32Å; M209-K677 WeakPolarHBondContact O-CB 3.25Å; M209-K677 WeakPolarHBondContact O-CG 3.4Å; M209-K677 PolarHBondContact O-N 3.33Å
210	F	24.8	Very low	26.8	Very low	106 Å²	106	116 Å²	116	47%	0.465	65%	0.645	S	S	.	*	B	Isolated β-bridge	trans	-107.8	151	179.8	-122.8	-44.1	0	0	0	113.7	K212 D675 G676 K677 D678	F210-K212 PolarHBondContact O-N 3.22Å; F210-D675 PolarHBondContact N-OD2 3Å; F210-G676 WeakPolarHBondContact CD1-O 3.3Å; F210-K677 HydrophobicContact CB-CB 3.71Å; F210-K677 HydrophobicContact CB-CD 4.02Å; F210-K677 HydrophobicContact CB-CG 4.3Å; F210-K677 HydrophobicContact CD1-CB 3.47Å; F210-K677 VanDerWaalsContact CD1-CB 3.47Å; F210-K677 HydrophobicContact CD2-CB 3.5Å; F210-K677 HydrophobicContact CD2-CD 3.8Å; F210-K677 HydrophobicContact CD2-CG 4.23Å; F210-K677 HydrophobicContact CE1-CB 3.86Å; F210-K677 WeakPolarHBondContact CE1-O 3.5Å; F210-K677 HydrophobicContact CE2-CB 3.93Å; F210-K677 HydrophobicContact CG-CB 3.23Å; F210-K677 HydrophobicContact CG-CD 4.07Å; F210-K677 HydrophobicContact CG-CG 4.19Å; F210-K677 HydrophobicContact CZ-CB 4.08Å; F210-D678 HydrophobicContact CD2-CB 4.27Å; F210-D678 VanDerWaalsContact CD2-OD2 3.29Å; F210-D678 WeakPolarHBondContact CD2-OD2 3.28Å; F210-D678 HydrophobicContact CE2-CB 3.57Å; F210-D678 WeakPolarHBondContact CE2-OD2 3.29Å; F210-D678 HydrophobicContact CZ-CB 3.79Å
211	M	24.3	Very low	24.8	Very low	121 Å²	121	118.5 Å²	118.5	60%	0.596	65%	0.653	S	S	*	*			trans	-30.3	94.4	160.6	-58.1	-92.8	164.2	0	0	111.8	E213 D675 G676	M211-E213 PolarHBondContact O-N 3Å; M211-D675 WeakPolarHBondContact CA-O 3.46Å; M211-D675 WeakPolarHBondContact CG-O 3.4Å; M211-G676 WeakPolarHBondContact CG-O 3.4Å; M211-G676 VanDerWaalsContact N-N 3.19Å; M211-G676 PolarHBondContact N-O 3.28Å
212	K	24.4	Very low	24	Very low	173 Å²	173	116.9 Å²	116.9	75%	0.752	66%	0.658	S	S	*	*			trans	-70.7	83.1	158.8	-127.2	178.4	-175.7	174.7	0	106.3	F210 S214 V674	F210-K212 PolarHBondContact O-N 3.22Å; K212-S214 PolarHBondContact O-N 3.48Å; K212-V674 HydrophobicContact CB-CG1 3.5Å; K212-V674 HydrophobicContact CB-CG2 4.5Å
213	E	22.2	Very low	23.7	Very low	165 Å²	165	120.8 Å²	120.8	77%	0.771	68%	0.678	S	S	*	*			trans	-54	137.9	175.5	-78	-152.6	108.8	0	0	110.6	M211	M211-E213 PolarHBondContact O-N 3Å
214	S	21.9	Very low	23.4	Very low	102 Å²	102	122.3 Å²	122.3	71%	0.713	70%	0.695	S	S	*	*			trans	44.8	91.3	139	-56.9	0	0	0	0	117.6	K212 S216	K212-S214 PolarHBondContact O-N 3.48Å; S214-S216 PolarHBondContact O-N 2.94Å
215	R	21.6	Very low	23.1	Very low	237 Å²	237	131.4 Å²	131.4	89%	0.894	73%	0.726	S	S	*	*			trans	-30.1	127.5	155.8	-53.2	168.9	-176	171.5	-0.7	113.1
216	S	21.8	Very low	22.9	Very low	122 Å²	122	129.1 Å²	129.1	85%	0.853	72%	0.723	S	S	*	*			trans	-111.8	149.9	139.5	56.4	0	0	0	0	108.6	S214	S214-S216 PolarHBondContact O-N 2.94Å
217	V	23.5	Very low	22.8	Very low	124 Å²	124	129.5 Å²	129.5	75%	0.752	73%	0.731	S	S	*	*			trans	-107.7	158.7	-173.2	173.4	0	0	0	0	109.1
218	D	22	Very low	22.7	Very low	132 Å²	132	133.3 Å²	133.3	71%	0.706	74%	0.743	S	S	*	*			trans	-44.4	143.3	177.5	-57.7	-91.6	0	0	0	114.3
219	C	20.6	Very low	22.5	Very low	128 Å²	128	135 Å²	135	87%	0.865	76%	0.755	S	S	*	*			trans	-140.8	73.2	146.1	-128.1	0	0	0	0	110.6
220	S	23.5	Very low	22.5	Very low	96 Å²	96	133.4 Å²	133.4	67%	0.671	76%	0.762	S	S	*	*			trans	38.8	113.3	143.3	59.8	0	0	0	0	120.2
221	Q	22.6	Very low	22.3	Very low	144 Å²	144	132 Å²	132	67%	0.673	77%	0.766	S	S	*	*	S	Bend		-125.8	154.7	124.1	-71.6	-156.5	-17.8	0	0	109.4	G1275	Q221-G1275 PolarHBondContact NE2-O 3.33Å; Q221-G1275 VanDerWaalsContact NE2-O 3.08Å
222	A	23.7	Very low	22.2	Very low	97 Å²	97	134.2 Å²	134.2	80%	0.802	77%	0.774	S	S	*	*			trans	54.8	91.8	-173.5	0	0	0	0	0	116	L224	A222-L224 PolarHBondContact O-N 3.41Å
223	S	24.3	Very low	22	Very low	125 Å²	125	129.4 Å²	129.4	87%	0.874	76%	0.76	S	S	*	*			trans	-76.1	41.4	175.5	49.2	0	0	0	0	114.6
224	L	21.8	Very low	21.9	Very low	170 Å²	170	125.9 Å²	125.9	89%	0.89	75%	0.75	S	S	*	*			trans	-123.9	69.1	175.7	-74.3	174.3	0	0	0	110.8	A222	A222-L224 PolarHBondContact O-N 3.41Å
225	R	22.4	Very low	21.8	Very low	241 Å²	241	127.5 Å²	127.5	91%	0.909	75%	0.749	S	S	*	*			trans	-93.1	109.8	174.8	-121.7	-175.1	-164.7	-111.5	7.8	110.6
226	G	20.5	Very low	21.8	Very low	59 Å²	59	119.2 Å²	119.2	61%	0.608	72%	0.723	S	S	*	*			trans	-150.4	122.8	171.3	0	0	0	0	0	111.8
227	S	22.1	Very low	21.8	Very low	126 Å²	126	117.7 Å²	117.7	88%	0.881	71%	0.713	S	S	*	*			trans	58.5	154.1	170.9	54.6	0	0	0	0	118.9
228	V	21.7	Very low	21.6	Very low	132 Å²	132	116.5 Å²	116.5	80%	0.8	71%	0.709	S	S	*	*			cis	-165.7	152.2	-44.1	117.5	0	0	0	0	107.8
229	S	20.7	Very low	21.6	Very low	105 Å²	105	114.1 Å²	114.1	73%	0.734	69%	0.69	S	S	*	*			trans	-6.3	126.3	166.9	-44.8	0	0	0	0	121.3
230	A	22.2	Very low	21.6	Very low	97 Å²	97	110.1 Å²	110.1	80%	0.802	66%	0.664	S	S	*	*				-157.9	139.2	114.4	0	0	0	0	0	109.1
231	S	19.9	Very low	21.5	Very low	76 Å²	76	108.9 Å²	108.9	53%	0.531	66%	0.655	S	S	.	*			cis	102.2	78.3	6.5	87.8	0	0	0	0	118.4	Y203	Y203-S231 VanDerWaalsContact OH-CA 3.25Å; Y203-S231 WeakPolarHBondContact OH-CA 3.47Å; Y203-S231 WeakPolarHBondContact OH-CB 3.45Å
232	Q	21.9	Very low	21.5	Very low	167 Å²	167	106.9 Å²	106.9	78%	0.78	65%	0.653	S	S	*	*			trans	-167.1	156	163	-102.1	162.8	16.9	0	0	107.9	Y203	Y203-Q232 VanDerWaalsContact CE1-C 3.45Å; Y203-Q232 WeakPolarHBondContact CE1-O 3.29Å
233	T	20.6	Very low	21.7	Very low	72 Å²	72	107.6 Å²	107.6	44%	0.442	65%	0.649	S	S	.	*			cis	-170.1	-174.2	-29.2	18.7	0	0	0	0	107
234	T	20.6	Very low	21.6	Very low	91 Å²	91	108.4 Å²	108.4	56%	0.558	65%	0.648	S	S	*	*			trans	83.9	144.6	152.4	73.1	0	0	0	0	120.7	G202 N204	G202-T234 PolarHBondContact O-N 3.03Å; N204-T234 CarbonylContact O-C 3.56Å
235	L	20.6	Very low	21.7	Very low	136 Å²	136	106.4 Å²	106.4	71%	0.712	64%	0.638	S	S	*	*				-141.9	155.5	-63.8	46.5	71.1	0	0	0	110.4	N204	N204-L235 CarbonylContact O-C 3.49Å; N204-L235 WeakPolarHBondContact O-CA 3.33Å; N204-L235 PolarHBondContact O-N 3.1Å; N204-L235 WeakPolarHBondContact OD1-CA 3.27Å
236	N	21.3	Very low	21.6	Very low	64 Å²	64	98.1 Å²	98.1	34%	0.342	63%	0.628	S	S	.	*			trans	-141.9	152.9	-177.4	-169.9	4	0	0	0	110.3	N204 T205 T206	N204-N236 HydrophobicContact CB-CB 3.77Å; N204-N236 PolarHBondContact ND2-N 3.45Å; N204-N236 PolarHBondContact ND2-O 3.22Å; N204-N236 PolarHBondContact O-N 3.36Å; N204-N236 VanDerWaalsContact O-N 3.11Å; T205-N236 PolarHBondContact O-ND2 2.85Å; T206-N236 WeakPolarHBondContact CG2-OD1 3.47Å; T206-N236 PolarHBondContact N-ND2 3.35Å
237	S	20.5	Very low	21.8	Very low	90 Å²	90	102.6 Å²	102.6	63%	0.629	64%	0.637	S	S	*	*			trans	-131.7	140.7	-167.1	48.7	0	0	0	0	112.3
238	S	21.2	Very low	21.8	Very low	98 Å²	98	103 Å²	103	69%	0.685	63%	0.633	S	S	*	*			trans	47.1	109	152	48.7	0	0	0	0	118.4
239	R	21	Very low	21.8	Very low	82 Å²	82	103.4 Å²	103.4	31%	0.309	63%	0.63	S	S	.	*				69.5	126.8	51.1	-56.6	176.1	165.5	-166.3	-5.7	114.7	T168 R197	T168-R239 PolarHBondContact OG1-NH1 2.75Å; R197-R239 VanDerWaalsContact NH1-CZ 3.34Å
240	S	21.5	Very low	21.9	Very low	45 Å²	45	103.8 Å²	103.8	32%	0.315	62%	0.619	S	S	.	*			trans	96.7	151.2	155.1	91.9	0	0	0	0	118.5	E165	E165-S240 VanDerWaalsContact CD-CB 3.49Å; E165-S240 VanDerWaalsContact CG-CB 3.48Å; E165-S240 WeakPolarHBondContact OE1-CB 3.49Å
241	C	19.9	Very low	21.9	Very low	69 Å²	69	108 Å²	108	47%	0.466	62%	0.619	S	S	.	*	S	Bend	trans	67.2	137.8	179.7	-56.1	0	0	0	0	117	F163	F163-C241 PolarHBondContact O-SG 2.88Å; F163-C241 VanDerWaalsContact O-SG 3.4Å
242	T	24.2	Very low	22.1	Very low	103 Å²	103	106.6 Å²	106.6	63%	0.632	61%	0.606	S	S	*	*	S	Bend	trans	-72.5	156.7	171.7	50.6	0	0	0	0	112.1
243	P	27	Very low	22.2	Very low	112 Å²	112	100.2 Å²	100.2	73%	0.727	58%	0.58	S	S	*	*			cis	-121.5	159.1	-37.1	38.1	-26.8	0	0	0	111.1
244	V	23.1	Very low	22.4	Very low	141 Å²	141	99.7 Å²	99.7	86%	0.855	57%	0.57	S	S	*	*			trans	-131.3	93.2	174.2	-173.8	0	0	0	0	111.7	G246	V244-G246 PolarHBondContact O-N 3.03Å
245	N	22.1	Very low	22.6	Very low	128 Å²	128	105 Å²	105	68%	0.684	58%	0.58	S	S	*	*			trans	14.7	88	160.8	-63	-2.4	0	0	0	117.9
246	G	21.7	Very low	22.8	Very low	67 Å²	67	101.7 Å²	101.7	69%	0.691	58%	0.579	S	S	*	*			trans	-155	112	165.4	0	0	0	0	0	111	V244	V244-G246 PolarHBondContact O-N 3.03Å
247	I	23.6	Very low	23	Very low	154 Å²	154	107.1 Å²	107.1	79%	0.79	59%	0.594	S	S	*	*			trans	-82.5	120.5	-179.7	-59.2	168.7	0	0	0	109.4
248	T	22.2	Very low	23.2	Very low	133 Å²	133	107.1 Å²	107.1	82%	0.816	60%	0.599	S	S	*	*			trans	-161	153.1	147	-0.2	0	0	0	0	114.1
249	L	22.6	Very low	23.5	Very low	141 Å²	141	111.3 Å²	111.3	74%	0.738	61%	0.606	S	S	*	*			trans	-76.5	139	-166.4	-79.5	60	0	0	0	114.2	K251	L249-K251 PolarHBondContact O-N 2.9Å
250	F	22.1	Very low	23.8	Very low	114 Å²	114	115.1 Å²	115.1	50%	0.5	62%	0.62	S	S	.	*			trans	-54.2	129.5	161.7	-70.5	-115.4	0	0	0	111	E102	E102-F250 WeakPolarHBondContact O-CE1 3.19Å; E102-F250 VanDerWaalsContact O-CZ 3.26Å; E102-F250 WeakPolarHBondContact O-CZ 3.18Å
251	K	21.7	Very low	24.4	Very low	185 Å²	185	116.3 Å²	116.3	80%	0.804	64%	0.64	S	S	*	*			trans	-123.4	133.6	164.2	-92.2	175.6	-179.7	162.7	0	110.7	L249	L249-K251 PolarHBondContact O-N 2.9Å
252	D	23.6	Very low	24.9	Very low	46 Å²	46	116.7 Å²	116.7	25%	0.246	64%	0.64	C	S	.	*			trans	-97.2	144.6	-157.8	-149	-10.9	0	0	0	114.7	R101 R254 N266	R101-D252 IonicContact CZ-OD1 3.77Å; R101-D252 IonicContact NH1-OD1 2.73Å; R101-D252 IonicContact NH2-OD1 3.99Å; R101-D252 PolarHBondContact NH2-OD1 2.87Å; R101-D252 VanDerWaalsContact NH2-OD1 3.12Å; D252-R254 PolarHBondContact O-N 3.49Å; D252-R254 IonicContact OD1-NE 2.69Å; D252-R254 IonicContact OD2-CZ 2.97Å; D252-R254 IonicContact OD2-NE 3.51Å; D252-R254 PolarHBondContact OD2-NE 3.41Å; D252-R254 IonicContact OD2-NH2 3.54Å; D252-R254 PolarHBondContact OD2-NH2 2.9Å; D252-N266 PolarHBondContact OD1-ND2 3.29Å; D252-N266 PolarHBondContact OD2-ND2 3.07Å; D252-N266 PolarHBondContact OD2-OD1 3.2Å
253	S	24.5	Very low	25.5	Very low	34 Å²	34	115 Å²	115	24%	0.238	63%	0.625	C	S	.	*	T	Hydrogen-bonded Turn	trans	-72.6	-10.2	-173	50.8	0	0	0	0	113.8	K131 R255	K131-S253 WeakPolarHBondContact CE-O 3.48Å; K131-S253 PolarHBondContact NZ-O 3.38Å; S253-R255 VanDerWaalsContact C-N 3.26Å; S253-R255 PolarHBondContact O-N 2.92Å; S253-R255 VanDerWaalsContact O-N 3.16Å
254	R	25.3	Very low	26.1	Very low	60 Å²	60	115.1 Å²	115.1	23%	0.226	62%	0.618	C	S	.	*	T	Hydrogen-bonded Turn	trans	-67.1	-15.6	-174.4	-61.1	179.5	-77.9	145.3	-8	115.4	D252 G256 Q263 I264 N266 D286	D252-R254 PolarHBondContact O-N 3.49Å; D252-R254 IonicContact OD1-NE 2.69Å; D252-R254 IonicContact OD2-CZ 2.97Å; D252-R254 IonicContact OD2-NE 3.51Å; D252-R254 PolarHBondContact OD2-NE 3.41Å; D252-R254 IonicContact OD2-NH2 3.54Å; D252-R254 PolarHBondContact OD2-NH2 2.9Å; R254-G256 PolarHBondContact O-N 3.07Å; R254-Q263 HydrophobicContact CB-CB 3.97Å; R254-Q263 HydrophobicContact CB-CG 4.14Å; R254-Q263 VanDerWaalsContact NH1-C 3.26Å; R254-Q263 VanDerWaalsContact NH1-CB 3.3Å; R254-Q263 PolarHBondContact NH1-O 3.25Å; R254-Q263 PolarHBondContact O-NE2 2.91Å; R254-I264 WeakPolarHBondContact CD-O 3.26Å; R254-I264 PolarHBondContact NE-O 3.29Å; R254-I264 VanDerWaalsContact NH1-C 3.33Å; R254-I264 PolarHBondContact NH1-O 3.31Å; R254-I264 VanDerWaalsContact NH1-O 3.09Å; R254-N266 WeakPolarHBondContact CD-OD1 3.07Å; R254-N266 PolarHBondContact NE-OD1 3.14Å; R254-D286 IonicContact CZ-OD2 2.72Å; R254-D286 IonicContact NH1-OD2 2.78Å; R254-D286 IonicContact NH2-OD2 3.59Å; R254-D286 PolarHBondContact NH2-OD2 3.27Å
255	R	24.3	Very low	27.1	Very low	203 Å²	203	108.6 Å²	108.6	77%	0.766	58%	0.578	S	S	*	*			trans	-76.6	99.2	172.1	-65.6	-177.6	-179	-160.4	-0.9	109.8	K131 S253	K131-R255 PolarHBondContact NZ-O 3.05Å; S253-R255 VanDerWaalsContact C-N 3.26Å; S253-R255 PolarHBondContact O-N 2.92Å; S253-R255 VanDerWaalsContact O-N 3.16Å
256	G	25.4	Very low	28.3	Very low	67 Å²	67	105 Å²	105	69%	0.691	56%	0.559	S	S	*	*	S	Bend	trans	-154.2	-57.6	-174.3	0	0	0	0	0	115.9	R254	R254-G256 PolarHBondContact O-N 3.07Å
257	R	24.9	Very low	30.2	Very low	178 Å²	178	101.9 Å²	101.9	67%	0.672	53%	0.527	S	S	*	.	S	Bend	trans	-132.2	142.2	169.1	-64.8	-169.5	-172.1	-145.4	5.1	109.3	F259 K667	R257-F259 PolarHBondContact O-N 3.43Å; R257-K667 PolarHBondContact NH2-O 3.27Å; R257-K667 VanDerWaalsContact NH2-O 3.07Å
258	A	24.9	Very low	32.3	Very low	89 Å²	89	94.5 Å²	94.5	74%	0.736	49%	0.489	S	S	*	.			trans	-92.4	82.8	-158.9	0	0	0	0	0	114	R260	A258-R260 VanDerWaalsContact C-N 3.33Å; A258-R260 HydrophobicContact CB-CG 4.22Å; A258-R260 PolarHBondContact O-N 3.32Å; A258-R260 VanDerWaalsContact O-N 3.12Å
259	F	27.1	Very low	34.7	Very low	186 Å²	186	89.4 Å²	89.4	82%	0.816	46%	0.455	S	S	*	.			trans	-57.8	105.8	133.8	-82.8	-83.6	0	0	0	106.4	R257 G261	R257-F259 PolarHBondContact O-N 3.43Å; F259-G261 VanDerWaalsContact C-N 3.28Å; F259-G261 PolarHBondContact O-N 2.89Å
260	R	27.5	Very low	37.1	Very low	163 Å²	163	82.9 Å²	82.9	62%	0.615	42%	0.421	S	S	*	.	S	Bend	trans	-76.5	76.7	-176.1	-74.7	-148.2	-153.4	175.6	18.9	111.2	A258 P1142 R1143	A258-R260 VanDerWaalsContact C-N 3.33Å; A258-R260 HydrophobicContact CB-CG 4.22Å; A258-R260 PolarHBondContact O-N 3.32Å; A258-R260 VanDerWaalsContact O-N 3.12Å; R260-P1142 HydrophobicContact CB-CG 4.17Å; R260-P1142 PolarHBondContact NH1-O 3.01Å; R260-P1142 PolarHBondContact NH2-O 3.09Å; R260-P1142 VanDerWaalsContact NH2-O 3.14Å; R260-R1143 PolarHBondContact NH2-O 3.07Å; R260-R1143 VanDerWaalsContact NH2-O 3.15Å
261	G	34	Very low	39.2	Very low	70 Å²	70	80.2 Å²	80.2	72%	0.722	41%	0.411	S	S	*	.	S	Bend	trans	160.7	-60.6	165.4	0	0	0	0	0	113.3	F259	F259-G261 VanDerWaalsContact C-N 3.28Å; F259-G261 PolarHBondContact O-N 2.89Å
262	V	31.9	Very low	41.3	Very low	77 Å²	77	72.2 Å²	72.2	47%	0.467	38%	0.377	S	S	.	.			trans	-104.6	128.1	-164.5	-174.9	0	0	0	0	111.2	L284	V262-L284 HydrophobicContact CG1-CB 3.79Å; V262-L284 HydrophobicContact CG1-CD2 3.89Å; V262-L284 HydrophobicContact CG1-CG 4.28Å
263	Q	35.7	Very low	42.7	Very low	68 Å²	68	74.6 Å²	74.6	32%	0.318	39%	0.39	S	S	.	.			trans	-118.5	129.4	174.2	-62.3	-171.9	-40.9	0	0	107.9	R254 P265	R254-Q263 HydrophobicContact CB-CB 3.97Å; R254-Q263 HydrophobicContact CB-CG 4.14Å; R254-Q263 VanDerWaalsContact NH1-C 3.26Å; R254-Q263 VanDerWaalsContact NH1-CB 3.3Å; R254-Q263 PolarHBondContact NH1-O 3.25Å; R254-Q263 PolarHBondContact O-NE2 2.91Å; Q263-P265 WeakPolarHBondContact O-CD 3.39Å
264	I	39.7	Very low	44.2	Very low	113 Å²	113	78.7 Å²	78.7	58%	0.579	40%	0.4	S	S	*	.			trans	-66.9	122.2	-179.1	-55.8	172.9	0	0	0	109.7	R254 Y269 L284	R254-I264 WeakPolarHBondContact CD-O 3.26Å; R254-I264 PolarHBondContact NE-O 3.29Å; R254-I264 VanDerWaalsContact NH1-C 3.33Å; R254-I264 PolarHBondContact NH1-O 3.31Å; R254-I264 VanDerWaalsContact NH1-O 3.09Å; I264-Y269 HydrophobicContact CG2-CE1 4.13Å; I264-Y269 HydrophobicContact CG2-CE2 4.36Å; I264-L284 HydrophobicContact CG2-CD1 4.47Å
265	P	44.6	Very low	46	Very low	5 Å²	5	77 Å²	77	3%	0.032	40%	0.401	C	S	.	.			trans	-69	147.1	-170.5	-28.3	41.3	0	0	0	116	Q263 Y269 L284 D286	Q263-P265 WeakPolarHBondContact O-CD 3.39Å; P265-Y269 HydrophobicContact CB-CD1 3.93Å; P265-Y269 HydrophobicContact CB-CG 4.19Å; P265-Y269 HydrophobicContact CG-CD1 4.17Å; P265-Y269 HydrophobicContact CG-CG 3.97Å; P265-L284 VanDerWaalsContact CD-CD2 3.46Å; P265-L284 HydrophobicContact CG-CD2 3.75Å; P265-D286 HydrophobicContact CB-CB 4.35Å; P265-D286 WeakPolarHBondContact CB-OD1 3.4Å; P265-D286 HydrophobicContact CG-CB 3.58Å; P265-D286 WeakPolarHBondContact CG-OD2 3.28Å
266	N	47.7	Very low	47.8	Very low	52 Å²	52	68.8 Å²	68.8	28%	0.278	37%	0.372	S	S	.	.	S	Bend	trans	-88.6	-12.2	174.9	-61.4	28.3	0	0	0	112.7	R101 D252 R254 R425	R101-N266 PolarHBondContact NH1-ND2 3Å; D252-N266 PolarHBondContact OD1-ND2 3.29Å; D252-N266 PolarHBondContact OD2-ND2 3.07Å; D252-N266 PolarHBondContact OD2-OD1 3.2Å; R254-N266 WeakPolarHBondContact CD-OD1 3.07Å; R254-N266 PolarHBondContact NE-OD1 3.14Å; N266-R425 WeakPolarHBondContact O-CG 3.45Å
267	G	60.7	Low	49.7	Very low	1 Å²	1	67.7 Å²	67.7	1%	0.01	35%	0.349	C	S	.	.	S	Bend	trans	-111.8	-160.4	164.1	0	0	0	0	0	109.7	T288	G267-T288 WeakPolarHBondContact CA-OG1 3.33Å; G267-T288 PolarHBondContact N-OG1 3.47Å
268	P	67.3	Low	51.1	Low	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.351	C	S	.	.			trans	-67.1	147.8	-173.1	20.8	-28.5	0	0	0	113.8	V287 T288 I291 V349 F421 K422 D423	P268-V287 CarbonylContact O-C 3.48Å; P268-V287 WeakPolarHBondContact O-CA 3.27Å; P268-V287 WeakPolarHBondContact O-CB 3.4Å; P268-V287 PolarHBondContact O-N 3.28Å; P268-T288 PolarHBondContact O-N 3.41Å; P268-T288 VanDerWaalsContact O-N 3.16Å; P268-I291 HydrophobicContact CG-CD1 3.5Å; P268-V349 HydrophobicContact CB-CG2 4.12Å; P268-V349 HydrophobicContact CG-CG2 3.83Å; P268-F421 HydrophobicContact CB-CE2 3.63Å; P268-F421 HydrophobicContact CB-CZ 3.61Å; P268-K422 CarbonylContact C-O 3.46Å; P268-K422 WeakPolarHBondContact CA-O 3.17Å; P268-D423 HydrophobicContact CB-CB 4.02Å; P268-D423 WeakPolarHBondContact CD-OD2 2.89Å
269	Y	72.5	Confident	52.3	Low	25 Å²	25	62 Å²	62	10%	0.098	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	159.7	178.4	67.1	-86.8	0	0	0	113.6	I264 P265 L271 L284 H285 K422	I264-Y269 HydrophobicContact CG2-CE1 4.13Å; I264-Y269 HydrophobicContact CG2-CE2 4.36Å; P265-Y269 HydrophobicContact CB-CD1 3.93Å; P265-Y269 HydrophobicContact CB-CG 4.19Å; P265-Y269 HydrophobicContact CG-CD1 4.17Å; P265-Y269 HydrophobicContact CG-CG 3.97Å; Y269-L271 HydrophobicContact CD2-CB 4.43Å; Y269-L271 HydrophobicContact CE2-CB 4.17Å; Y269-L284 HydrophobicContact CD2-CD1 3.62Å; Y269-L284 HydrophobicContact CD2-CG 4Å; Y269-L284 HydrophobicContact CE2-CD1 3.72Å; Y269-L284 HydrophobicContact CG-CD1 4.46Å; Y269-H285 WeakPolarHBondContact CA-O 3.37Å; Y269-H285 VanDerWaalsContact CB-O 3.32Å; Y269-H285 WeakPolarHBondContact CB-O 3.34Å; Y269-K422 HydrophobicContact CD1-CB 4.27Å; Y269-K422 HydrophobicContact CE1-CB 3.85Å; Y269-K422 HydrophobicContact CE2-CB 4.44Å; Y269-K422 HydrophobicContact CE2-CD 4.47Å; Y269-K422 PolarHBondContact N-O 2.96Å; Y269-K422 PolarHBondContact O-N 3.26Å; Y269-K422 VanDerWaalsContact O-N 3.07Å
270	F	74.8	Confident	53.7	Low	5 Å²	5	57.5 Å²	57.5	2%	0.022	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	133	164.5	-61.3	-64.5	0	0	0	110.3	L284 H285 V287 I310 V331 L402 I408 Y419 L420 F421	F270-L284 VanDerWaalsContact O-CA 3.32Å; F270-L284 WeakPolarHBondContact O-CA 3.49Å; F270-H285 HydrophobicContact CB-CB 4.48Å; F270-H285 PolarHBondContact N-O 2.9Å; F270-H285 VanDerWaalsContact N-O 3.13Å; F270-H285 PolarHBondContact O-N 2.86Å; F270-V287 HydrophobicContact CD2-CG2 3.45Å; F270-V287 VanDerWaalsContact CD2-CG2 3.45Å; F270-V287 HydrophobicContact CE2-CG2 3.47Å; F270-V287 VanDerWaalsContact CE2-CG2 3.47Å; F270-V287 HydrophobicContact CG-CG2 4.38Å; F270-V287 HydrophobicContact CZ-CG2 4.43Å; F270-I310 HydrophobicContact CD2-CD1 3.8Å; F270-I310 HydrophobicContact CE2-CD1 4.04Å; F270-V331 HydrophobicContact CE2-CB 4.36Å; F270-V331 HydrophobicContact CE2-CG1 3.9Å; F270-V331 HydrophobicContact CE2-CG2 3.72Å; F270-V331 HydrophobicContact CZ-CG1 3.94Å; F270-V331 HydrophobicContact CZ-CG2 3.98Å; F270-L402 HydrophobicContact CE1-CD1 3.81Å; F270-L402 HydrophobicContact CZ-CD1 3.67Å; F270-I408 HydrophobicContact CD1-CD1 4.26Å; F270-I408 HydrophobicContact CE1-CD1 3.5Å; F270-I408 VanDerWaalsContact CE1-CD1 3.5Å; F270-I408 HydrophobicContact CZ-CD1 4.22Å; F270-Y419 HydrophobicContact CB-CD1 3.74Å; F270-Y419 HydrophobicContact CB-CE1 4.42Å; F270-Y419 HydrophobicContact CB-CG 4.2Å; F270-L420 WeakPolarHBondContact CA-O 3.41Å; F270-F421 HydrophobicContact CD1-CB 4.14Å; F270-F421 AromaticContact CD1-CD2 3.91Å; F270-F421 HydrophobicContact CD1-CD2 3.91Å; F270-F421 HydrophobicContact CE1-CB 3.99Å; F270-F421 AromaticContact CE1-CD2 3.47Å; F270-F421 HydrophobicContact CE1-CD2 3.47Å; F270-F421 VanDerWaalsContact CE1-CD2 3.47Å; F270-F421 HydrophobicContact CE1-CE2 4.35Å; F270-F421 HydrophobicContact CE1-CG 4.09Å; F270-F421 HydrophobicContact CZ-CD2 4.01Å; F270-F421 HydrophobicContact CZ-CE2 4.48Å
271	L	65.9	Low	55.4	Low	57 Å²	57	50.6 Å²	50.6	30%	0.298	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.2	168.4	-179.8	67.7	0	0	0	108.6	Y269 L273 L284 Y419 L420	Y269-L271 HydrophobicContact CD2-CB 4.43Å; Y269-L271 HydrophobicContact CE2-CB 4.17Å; L271-L273 HydrophobicContact CD2-CD2 4.19Å; L271-L273 HydrophobicContact CG-CD2 4.27Å; L271-L284 HydrophobicContact CD1-CD1 4.49Å; L271-Y419 CarbonylContact O-C 3.58Å; L271-Y419 VanDerWaalsContact O-CA 3.3Å; L271-Y419 WeakPolarHBondContact O-CA 3.44Å; L271-L420 PolarHBondContact N-O 2.86Å; L271-L420 PolarHBondContact O-N 3.15Å
272	L	65.2	Low	56.6	Low	17 Å²	17	50.7 Å²	50.7	9%	0.089	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127	176.5	-174	73.2	0	0	0	109.9	R274 D281 L283 Y417 Y419	L272-R274 VanDerWaalsContact CD1-O 3.23Å; L272-R274 WeakPolarHBondContact CD1-O 3.33Å; L272-D281 HydrophobicContact CD2-CB 3.72Å; L272-L283 WeakPolarHBondContact CB-O 3.39Å; L272-L283 HydrophobicContact CD2-CD2 4.42Å; L272-L283 PolarHBondContact N-O 2.77Å; L272-Y417 HydrophobicContact CD1-CD1 3.75Å; L272-Y417 HydrophobicContact CD1-CE1 4.47Å; L272-Y419 HydrophobicContact CB-CD1 4.04Å; L272-Y419 HydrophobicContact CB-CE1 3.85Å; L272-Y419 HydrophobicContact CD1-CD1 3.86Å; L272-Y419 HydrophobicContact CD1-CD2 4.5Å; L272-Y419 HydrophobicContact CD1-CE1 3.43Å; L272-Y419 VanDerWaalsContact CD1-CE1 3.43Å; L272-Y419 HydrophobicContact CD1-CE2 4.12Å; L272-Y419 HydrophobicContact CD1-CG 4.4Å; L272-Y419 HydrophobicContact CG-CE1 4.23Å
273	L	52.3	Low	57.6	Low	97 Å²	97	52.7 Å²	52.7	51%	0.508	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-28.9	174.7	-55.1	-174.2	0	0	0	112.4	L271 L407 V418 L420	L271-L273 HydrophobicContact CD2-CD2 4.19Å; L271-L273 HydrophobicContact CG-CD2 4.27Å; L273-L407 HydrophobicContact CD1-CD2 3.65Å; L273-V418 HydrophobicContact CB-CB 4.32Å; L273-V418 HydrophobicContact CB-CG1 4.11Å; L273-V418 HydrophobicContact CD1-CG1 4.19Å; L273-V418 PolarHBondContact N-O 3.18Å; L273-L420 HydrophobicContact CD1-CB 4.15Å; L273-L420 HydrophobicContact CG-CB 4.36Å
274	R	56	Low	58.7	Low	119 Å²	119	50.4 Å²	50.4	45%	0.449	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	137.7	177.7	-179.1	-173.9	179.1	-157.7	-0.6	109.2	L272 Y417 V418	L272-R274 VanDerWaalsContact CD1-O 3.23Å; L272-R274 WeakPolarHBondContact CD1-O 3.33Å; R274-Y417 CarbonylContact O-C 3.55Å; R274-Y417 VanDerWaalsContact O-CA 3.28Å; R274-Y417 WeakPolarHBondContact O-CA 3.36Å; R274-V418 HydrophobicContact CB-CB 4.04Å; R274-V418 HydrophobicContact CB-CG2 4.03Å; R274-V418 PolarHBondContact N-O 2.98Å; R274-V418 PolarHBondContact O-N 2.92Å
275	G	64.2	Low	60.2	Low	24 Å²	24	45.8 Å²	45.8	25%	0.247	24%	0.238	C	C	.	.			trans	-135.8	-175.8	171.8	0	0	0	0	0	112.1	D281	G275-D281 VanDerWaalsContact CA-OD2 3.25Å; G275-D281 WeakPolarHBondContact CA-OD2 3.37Å
276	N	62	Low	61.4	Low	32 Å²	32	48 Å²	48	17%	0.171	25%	0.25	C	C	.	.	S	Bend	trans	-104.8	-22.1	-177.2	-74.4	-22.5	0	0	0	113.7	D281 Y313 T315 G416 Y417	N276-D281 PolarHBondContact N-OD2 3.24Å; N276-Y313 PolarHBondContact ND2-O 3.21Å; N276-T315 HydrophobicContact CB-CG2 4.09Å; N276-T315 WeakPolarHBondContact ND2-CG2 3.49Å; N276-G416 PolarHBondContact OD1-N 3.13Å; N276-Y417 HydrophobicContact CB-CE2 3.71Å; N276-Y417 PolarHBondContact N-OH 2.97Å
277	Q	64.7	Low	62.8	Low	44 Å²	44	45.5 Å²	45.5	21%	0.206	24%	0.236	C	C	.	.			trans	-137.2	80.3	-178.1	-70.9	-141.5	-77.4	0	0	109.6	D279 R280 D281 Y313	Q277-D279 VanDerWaalsContact C-OD1 3.31Å; Q277-D279 PolarHBondContact O-N 3.1Å; Q277-R280 HydrophobicContact CB-CB 4.3Å; Q277-R280 HydrophobicContact CB-CG 4.23Å; Q277-R280 PolarHBondContact O-N 2.86Å; Q277-D281 PolarHBondContact N-OD2 2.98Å; Q277-D281 WeakPolarHBondContact O-CB 3.32Å; Q277-D281 PolarHBondContact O-N 3.43Å; Q277-Y313 HydrophobicContact CB-CD2 4.49Å; Q277-Y313 HydrophobicContact CB-CG 4.13Å; Q277-Y313 HydrophobicContact CG-CG 4.27Å
278	P	53.7	Low	63.2	Low	108 Å²	108	46.3 Å²	46.3	70%	0.701	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.7	-170.9	26.7	-36	0	0	0	114.7
279	D	50.7	Low	63.1	Low	40 Å²	40	53 Å²	53	21%	0.214	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-28.9	168.8	59.6	-55.6	0	0	0	113.2	Q277 L1135 F1139	Q277-D279 VanDerWaalsContact C-OD1 3.31Å; Q277-D279 PolarHBondContact O-N 3.1Å; D279-L1135 HydrophobicContact CB-CD1 3.71Å; D279-L1135 HydrophobicContact CB-CD2 4.45Å; D279-L1135 HydrophobicContact CB-CG 3.83Å; D279-F1139 HydrophobicContact CB-CD2 3.95Å; D279-F1139 HydrophobicContact CB-CE2 3.82Å; D279-F1139 WeakPolarHBondContact O-CD1 3.37Å; D279-F1139 VanDerWaalsContact O-CE1 3.24Å; D279-F1139 WeakPolarHBondContact O-CE1 3.47Å; D279-F1139 VanDerWaalsContact O-CZ 3.31Å; D279-F1139 WeakPolarHBondContact O-CZ 3.11Å; D279-F1139 WeakPolarHBondContact OD2-CE2 3.32Å
280	R	56	Low	63	Low	90 Å²	90	52.1 Å²	52.1	34%	0.34	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-19.7	-175.3	-43	-159.4	157.3	160.5	-14.7	113.7	Q277 Y313 E1138 F1139	Q277-R280 HydrophobicContact CB-CB 4.3Å; Q277-R280 HydrophobicContact CB-CG 4.23Å; Q277-R280 PolarHBondContact O-N 2.86Å; R280-Y313 HydrophobicContact CB-CD1 4.17Å; R280-Y313 HydrophobicContact CB-CD2 3.95Å; R280-Y313 HydrophobicContact CB-CE1 3.74Å; R280-Y313 HydrophobicContact CB-CE2 3.55Å; R280-Y313 HydrophobicContact CB-CG 4.27Å; R280-Y313 VanDerWaalsContact CB-CZ 3.43Å; R280-Y313 VanDerWaalsContact CD-CE1 3.42Å; R280-Y313 HydrophobicContact CG-CD1 4.46Å; R280-Y313 HydrophobicContact CG-CE1 4.18Å; R280-E1138 IonicContact CZ-OE2 2.96Å; R280-E1138 IonicContact NE-OE2 3.96Å; R280-E1138 IonicContact NH2-OE2 3.87Å; R280-E1138 PolarHBondContact NH2-OE2 3.02Å; R280-F1139 HydrophobicContact CB-CZ 4.5Å; R280-F1139 HydrophobicContact CG-CE2 4.23Å; R280-F1139 HydrophobicContact CG-CZ 3.85Å
281	D	63.1	Low	62.4	Low	19 Å²	19	52.5 Å²	52.5	10%	0.102	27%	0.269	C	S	.	.			trans	-71.6	126.9	-173.7	-68.6	-20.6	0	0	0	112.1	L272 G275 N276 Q277 Y313 Y417	L272-D281 HydrophobicContact CD2-CB 3.72Å; G275-D281 VanDerWaalsContact CA-OD2 3.25Å; G275-D281 WeakPolarHBondContact CA-OD2 3.37Å; N276-D281 PolarHBondContact N-OD2 3.24Å; Q277-D281 PolarHBondContact N-OD2 2.98Å; Q277-D281 WeakPolarHBondContact O-CB 3.32Å; Q277-D281 PolarHBondContact O-N 3.43Å; D281-Y313 WeakPolarHBondContact OD1-CD2 3.35Å; D281-Y417 HydrophobicContact CB-CE1 4.44Å; D281-Y417 WeakPolarHBondContact OD1-CE1 3.3Å; D281-Y417 VanDerWaalsContact OD1-CZ 3.25Å; D281-Y417 PolarHBondContact OD1-OH 3.22Å; D281-Y417 PolarHBondContact OD2-OH 3.28Å
282	V	59.1	Low	61.9	Low	71 Å²	71	54.1 Å²	54.1	43%	0.43	28%	0.277	S	S	.	.			trans	-87	115.1	179.2	174.5	0	0	0	0	109.5	L284 H285	V282-L284 VanDerWaalsContact CG1-O 3.3Å; V282-L284 WeakPolarHBondContact CG1-O 3.49Å; V282-L284 PolarHBondContact O-N 2.65Å; V282-L284 VanDerWaalsContact O-N 3.1Å; V282-H285 PolarHBondContact O-NE2 2.63Å
283	L	53.1	Low	61.1	Low	120 Å²	120	57.1 Å²	57.1	63%	0.628	29%	0.293	S	S	*	.	S	Bend	trans	-60.6	-22.9	-174.4	-68.4	175.9	0	0	0	114.9	L272	L272-L283 WeakPolarHBondContact CB-O 3.39Å; L272-L283 HydrophobicContact CD2-CD2 4.42Å; L272-L283 PolarHBondContact N-O 2.77Å
284	L	58.5	Low	60.8	Low	19 Å²	19	59.4 Å²	59.4	10%	0.099	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	131	-176.2	178.1	147.4	0	0	0	111.3	V262 I264 P265 Y269 F270 L271 V282	V262-L284 HydrophobicContact CG1-CB 3.79Å; V262-L284 HydrophobicContact CG1-CD2 3.89Å; V262-L284 HydrophobicContact CG1-CG 4.28Å; I264-L284 HydrophobicContact CG2-CD1 4.47Å; P265-L284 VanDerWaalsContact CD-CD2 3.46Å; P265-L284 HydrophobicContact CG-CD2 3.75Å; Y269-L284 HydrophobicContact CD2-CD1 3.62Å; Y269-L284 HydrophobicContact CD2-CG 4Å; Y269-L284 HydrophobicContact CE2-CD1 3.72Å; Y269-L284 HydrophobicContact CG-CD1 4.46Å; F270-L284 VanDerWaalsContact O-CA 3.32Å; F270-L284 WeakPolarHBondContact O-CA 3.49Å; L271-L284 HydrophobicContact CD1-CD1 4.49Å; V282-L284 VanDerWaalsContact CG1-O 3.3Å; V282-L284 WeakPolarHBondContact CG1-O 3.49Å; V282-L284 PolarHBondContact O-N 2.65Å; V282-L284 VanDerWaalsContact O-N 3.1Å
285	H	72.2	Confident	60.4	Low	16 Å²	16	55.9 Å²	55.9	7%	0.074	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.2	177.2	-57.2	-95.9	0	0	0	110	Y269 F270 V282 V287 I310 Y419	Y269-H285 WeakPolarHBondContact CA-O 3.37Å; Y269-H285 VanDerWaalsContact CB-O 3.32Å; Y269-H285 WeakPolarHBondContact CB-O 3.34Å; F270-H285 HydrophobicContact CB-CB 4.48Å; F270-H285 PolarHBondContact N-O 2.9Å; F270-H285 VanDerWaalsContact N-O 3.13Å; F270-H285 PolarHBondContact O-N 2.86Å; V282-H285 PolarHBondContact O-NE2 2.63Å; H285-V287 PolarHBondContact O-N 2.97Å; H285-I310 HydrophobicContact CB-CD1 4.06Å; H285-I310 HydrophobicContact CB-CG1 4.29Å; H285-Y419 AromaticContact CD2-CE1 3.52Å; H285-Y419 AromaticContact NE2-CE1 3.6Å; H285-Y419 AromaticContact NE2-CZ 3.8Å; H285-Y419 PolarHBondContact NE2-OH 3.16Å
286	D	70.4	Confident	59.7	Low	52 Å²	52	61.7 Å²	61.7	28%	0.278	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	102.1	179.1	-166.1	-25.2	0	0	0	110.5	R254 P265 T288	R254-D286 IonicContact CZ-OD2 2.72Å; R254-D286 IonicContact NH1-OD2 2.78Å; R254-D286 IonicContact NH2-OD2 3.59Å; R254-D286 PolarHBondContact NH2-OD2 3.27Å; P265-D286 HydrophobicContact CB-CB 4.35Å; P265-D286 WeakPolarHBondContact CB-OD1 3.4Å; P265-D286 HydrophobicContact CG-CB 3.58Å; P265-D286 WeakPolarHBondContact CG-OD2 3.28Å; D286-T288 VanDerWaalsContact C-N 3.34Å; D286-T288 WeakPolarHBondContact OD1-CB 3.43Å; D286-T288 PolarHBondContact OD1-N 2.91Å; D286-T288 VanDerWaalsContact OD1-N 3.12Å; D286-T288 PolarHBondContact OD1-OG1 2.81Å
287	V	76.7	Confident	59.5	Low	0 Å²	0	64 Å²	64	0%	0	34%	0.335	C	S	.	.			trans	-87.7	-7.3	-177.3	-171.4	0	0	0	0	111.1	P268 F270 H285 K289 L290 V331 V349	P268-V287 CarbonylContact O-C 3.48Å; P268-V287 WeakPolarHBondContact O-CA 3.27Å; P268-V287 WeakPolarHBondContact O-CB 3.4Å; P268-V287 PolarHBondContact O-N 3.28Å; F270-V287 HydrophobicContact CD2-CG2 3.45Å; F270-V287 VanDerWaalsContact CD2-CG2 3.45Å; F270-V287 HydrophobicContact CE2-CG2 3.47Å; F270-V287 VanDerWaalsContact CE2-CG2 3.47Å; F270-V287 HydrophobicContact CG-CG2 4.38Å; F270-V287 HydrophobicContact CZ-CG2 4.43Å; H285-V287 PolarHBondContact O-N 2.97Å; V287-K289 PolarHBondContact O-N 3.35Å; V287-L290 HydrophobicContact CG1-CB 4.41Å; V287-L290 HydrophobicContact CG1-CD1 3.54Å; V287-L290 HydrophobicContact CG1-CG 3.86Å; V287-L290 WeakPolarHBondContact O-CB 3.42Å; V287-L290 WeakPolarHBondContact O-CG 3.39Å; V287-L290 PolarHBondContact O-N 2.81Å; V287-V331 HydrophobicContact CG1-CG1 4Å; V287-V349 HydrophobicContact CG1-CG1 4.13Å
288	T	69	Low	59.6	Low	18 Å²	18	62.9 Å²	62.9	11%	0.11	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-29.1	-177.7	-43.9	0	0	0	0	113.4	G267 P268 D286 L290 I291 I292	G267-T288 WeakPolarHBondContact CA-OG1 3.33Å; G267-T288 PolarHBondContact N-OG1 3.47Å; P268-T288 PolarHBondContact O-N 3.41Å; P268-T288 VanDerWaalsContact O-N 3.16Å; D286-T288 VanDerWaalsContact C-N 3.34Å; D286-T288 WeakPolarHBondContact OD1-CB 3.43Å; D286-T288 PolarHBondContact OD1-N 2.91Å; D286-T288 VanDerWaalsContact OD1-N 3.12Å; D286-T288 PolarHBondContact OD1-OG1 2.81Å; T288-L290 VanDerWaalsContact C-N 3.26Å; T288-L290 PolarHBondContact O-N 2.85Å; T288-I291 PolarHBondContact O-N 3.1Å; T288-I291 VanDerWaalsContact O-N 3.14Å; T288-I292 HydrophobicContact CG2-CD1 3.65Å; T288-I292 HydrophobicContact CG2-CG1 4.02Å; T288-I292 PolarHBondContact O-N 3.02Å; T288-I292 VanDerWaalsContact O-N 3.09Å
289	K	65.1	Low	60.8	Low	139 Å²	139	63.2 Å²	63.2	60%	0.604	32%	0.32	S	S	*	.	H	α-helix	trans	-56	-39	175.6	-65.6	-178.7	-176.7	172.9	0	113	V287 I291 I292 D293	V287-K289 PolarHBondContact O-N 3.35Å; K289-I291 PolarHBondContact O-N 3.35Å; K289-I292 PolarHBondContact O-N 3.48Å; K289-D293 PolarHBondContact O-N 3.28Å
290	L	69.3	Low	62.4	Low	7 Å²	7	62.4 Å²	62.4	4%	0.037	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-9.4	-178.5	-53.5	-167.5	0	0	0	113.6	V287 T288 M300 V331 G333	V287-L290 HydrophobicContact CG1-CB 4.41Å; V287-L290 HydrophobicContact CG1-CD1 3.54Å; V287-L290 HydrophobicContact CG1-CG 3.86Å; V287-L290 WeakPolarHBondContact O-CB 3.42Å; V287-L290 WeakPolarHBondContact O-CG 3.39Å; V287-L290 PolarHBondContact O-N 2.81Å; T288-L290 VanDerWaalsContact C-N 3.26Å; T288-L290 PolarHBondContact O-N 2.85Å; L290-M300 HydrophobicContact CD1-CB 4.44Å; L290-M300 HydrophobicContact CD2-CB 4.24Å; L290-M300 HydrophobicContact CD2-CG 3.79Å; L290-M300 HydrophobicContact CD2-SD 3.96Å; L290-M300 HydrophobicContact CG-SD 4.18Å; L290-V331 HydrophobicContact CD1-CB 4.16Å; L290-V331 HydrophobicContact CD1-CG1 3.84Å; L290-V331 WeakPolarHBondContact CD1-O 3.41Å; L290-G333 CarbonylContact O-C 3.47Å; L290-G333 WeakPolarHBondContact O-CA 3.46Å
291	I	64	Low	63.7	Low	13 Å²	13	58.4 Å²	58.4	7%	0.067	30%	0.301	C	S	.	.	H	α-helix	trans	-118.6	-34	-176.2	-72.2	178.4	0	0	0	112.2	P268 T288 K289 D293 N335 S347 V349	P268-I291 HydrophobicContact CG-CD1 3.5Å; T288-I291 PolarHBondContact O-N 3.1Å; T288-I291 VanDerWaalsContact O-N 3.14Å; K289-I291 PolarHBondContact O-N 3.35Å; I291-D293 VanDerWaalsContact C-N 3.34Å; I291-N335 PolarHBondContact O-ND2 3.3Å; I291-N335 PolarHBondContact O-OD1 3.3Å; I291-S347 WeakPolarHBondContact CD1-O 3.46Å; I291-S347 WeakPolarHBondContact CG2-OG 3.16Å; I291-V349 HydrophobicContact CD1-CG2 3.83Å
292	I	55.2	Low	64.7	Low	91 Å²	91	57.6 Å²	57.6	47%	0.467	30%	0.296	S	S	.	.	H	α-helix	trans	-71	-31.9	178.9	-72.9	178.8	0	0	0	111.7	T288 K289	T288-I292 HydrophobicContact CG2-CD1 3.65Å; T288-I292 HydrophobicContact CG2-CG1 4.02Å; T288-I292 PolarHBondContact O-N 3.02Å; T288-I292 VanDerWaalsContact O-N 3.09Å; K289-I292 PolarHBondContact O-N 3.48Å
293	D	48.5	Very low	65.8	Low	80 Å²	80	54.2 Å²	54.2	43%	0.428	28%	0.276	S	S	.	.	S	Bend	trans	-71	135.2	-177.1	-66	-28.1	0	0	0	111.7	K289 I291 A295 N335	K289-D293 PolarHBondContact O-N 3.28Å; I291-D293 VanDerWaalsContact C-N 3.34Å; D293-A295 PolarHBondContact O-N 2.94Å; D293-N335 PolarHBondContact O-ND2 3.16Å
294	N	45.6	Very low	66.8	Low	146 Å²	146	49.9 Å²	49.9	78%	0.781	25%	0.251	S	S	*	.			trans	-71.1	14.2	176.9	-79.7	-35	0	0	0	113.9
295	A	46.3	Very low	67.2	Low	45 Å²	45	49 Å²	49	37%	0.372	25%	0.247	S	C	.	.	S	Bend	trans	-70.1	145.8	171.4	0	0	0	0	0	110.1	D293 Q297	D293-A295 PolarHBondContact O-N 2.94Å; A295-Q297 PolarHBondContact O-N 3.32Å
296	M	51.3	Low	67.1	Low	145 Å²	145	56.3 Å²	56.3	71%	0.714	28%	0.278	S	S	*	.	S	Bend	trans	-63.4	-25.7	171.3	-73.3	-69.1	170.3	0	0	112.1	I337	M296-I337 HydrophobicContact CE-CD1 3.99Å; M296-I337 HydrophobicContact SD-CD1 4.31Å
297	Q	57.9	Low	67.1	Low	82 Å²	82	59 Å²	59	38%	0.383	29%	0.289	S	S	.	.			trans	-152.7	120.1	178.4	-176.9	175.1	-6.5	0	0	108.6	A295 V332 Y334	A295-Q297 PolarHBondContact O-N 3.32Å; Q297-V332 HydrophobicContact CG-CG1 3.4Å; Q297-V332 VanDerWaalsContact CG-CG1 3.4Å; Q297-Y334 HydrophobicContact CB-CD1 4.36Å; Q297-Y334 HydrophobicContact CB-CE1 3.94Å; Q297-Y334 VanDerWaalsContact CD-OH 3.22Å; Q297-Y334 HydrophobicContact CG-CD1 4.39Å; Q297-Y334 HydrophobicContact CG-CE1 3.7Å; Q297-Y334 PolarHBondContact NE2-OH 2.78Å; Q297-Y334 PolarHBondContact OE1-OH 3.03Å
298	S	65.6	Low	67.2	Low	20 Å²	20	59.7 Å²	59.7	14%	0.14	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.4	166.8	-81.7	0	0	0	0	108.8	V332 G333	S298-V332 WeakPolarHBondContact O-CA 3.46Å; S298-V332 WeakPolarHBondContact O-CG1 3.49Å; S298-G333 PolarHBondContact N-O 2.87Å; S298-G333 PolarHBondContact O-N 3.12Å
299	Y	80	Confident	67.8	Low	115 Å²	115	63 Å²	63	45%	0.451	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	155.4	178.2	69.1	-93.3	0	0	0	113.3	T301 K330 V331 W354	Y299-T301 HydrophobicContact CD2-CG2 4.06Å; Y299-T301 HydrophobicContact CE2-CG2 3.86Å; Y299-K330 HydrophobicContact CD2-CB 4.38Å; Y299-V331 CarbonylContact C-O 3.44Å; Y299-V331 WeakPolarHBondContact CA-O 3.34Å; Y299-V331 WeakPolarHBondContact CB-O 3.5Å; Y299-W354 HydrophobicContact CD2-CZ3 4.32Å; Y299-W354 HydrophobicContact CE2-CH2 4.13Å; Y299-W354 AromaticContact CE2-CZ3 3.75Å; Y299-W354 HydrophobicContact CE2-CZ3 3.75Å
300	M	83.2	Confident	68.7	Low	22 Å²	22	56.5 Å²	56.5	11%	0.108	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.8	168.3	-87.5	163.5	67	0	0	108.3	L290 D309 I310 K330 V331	L290-M300 HydrophobicContact CD1-CB 4.44Å; L290-M300 HydrophobicContact CD2-CB 4.24Å; L290-M300 HydrophobicContact CD2-CG 3.79Å; L290-M300 HydrophobicContact CD2-SD 3.96Å; L290-M300 HydrophobicContact CG-SD 4.18Å; M300-D309 WeakPolarHBondContact CA-OD2 3.2Å; M300-D309 HydrophobicContact CB-CB 3.84Å; M300-D309 HydrophobicContact CE-CB 4.25Å; M300-D309 HydrophobicContact CG-CB 3.83Å; M300-I310 HydrophobicContact CE-CD1 4.07Å; M300-I310 HydrophobicContact CE-CG1 3.89Å; M300-K330 CarbonylContact O-C 3.41Å; M300-K330 WeakPolarHBondContact O-CA 3.45Å; M300-V331 PolarHBondContact N-O 2.78Å; M300-V331 PolarHBondContact O-N 3.43Å
301	T	83.2	Confident	69	Low	7 Å²	7	59.7 Å²	59.7	4%	0.043	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	147.3	-177.9	53.1	0	0	0	0	112.3	Y299 V308 D309 I310 I327 W354	Y299-T301 HydrophobicContact CD2-CG2 4.06Å; Y299-T301 HydrophobicContact CE2-CG2 3.86Å; T301-V308 WeakPolarHBondContact O-CG1 3.2Å; T301-V308 WeakPolarHBondContact OG1-CA 3.43Å; T301-D309 PolarHBondContact N-OD2 3.16Å; T301-D309 PolarHBondContact OG1-N 3.17Å; T301-D309 PolarHBondContact OG1-OD2 2.64Å; T301-I310 PolarHBondContact O-N 2.78Å; T301-I327 HydrophobicContact CG2-CD1 3.98Å; T301-I327 HydrophobicContact CG2-CG2 4.14Å; T301-W354 HydrophobicContact CG2-CE3 4.29Å; T301-W354 HydrophobicContact CG2-CH2 4.31Å; T301-W354 HydrophobicContact CG2-CZ3 3.79Å
302	I	84.1	Confident	69.7	Low	2 Å²	2	59.1 Å²	59.1	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.4	170.1	-47.6	-170.5	0	0	0	108.5	I310 L312 I327 I328 A329 V331 L351 F410	I302-I310 WeakPolarHBondContact CA-O 3.46Å; I302-I310 HydrophobicContact CB-CB 4.48Å; I302-I310 HydrophobicContact CD1-CD1 4.43Å; I302-I310 HydrophobicContact CG1-CB 4.03Å; I302-I310 HydrophobicContact CG1-CD1 4.3Å; I302-I310 HydrophobicContact CG1-CG2 4.33Å; I302-I310 HydrophobicContact CG2-CB 4.46Å; I302-I310 HydrophobicContact CG2-CG2 4.21Å; I302-L312 HydrophobicContact CG2-CD1 3.85Å; I302-L312 HydrophobicContact CG2-CD2 3.93Å; I302-L312 HydrophobicContact CG2-CG 3.79Å; I302-I327 WeakPolarHBondContact O-CG2 3.21Å; I302-I328 PolarHBondContact O-N 3.35Å; I302-A329 PolarHBondContact N-O 3.26Å; I302-A329 PolarHBondContact O-N 2.89Å; I302-V331 HydrophobicContact CD1-CG2 3.56Å; I302-V331 HydrophobicContact CG1-CG2 3.94Å; I302-L351 HydrophobicContact CD1-CD1 3.99Å; I302-F410 HydrophobicContact CD1-CE1 3.92Å; I302-F410 HydrophobicContact CD1-CE2 3.89Å; I302-F410 HydrophobicContact CD1-CZ 3.34Å; I302-F410 HydrophobicContact CG2-CD1 4.45Å; I302-F410 HydrophobicContact CG2-CE1 4.34Å; I302-F410 HydrophobicContact CG2-CZ 4.43Å
303	G	81.6	Confident	70.4	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.5	173.5	-166.6	0	0	0	0	0	114.5	V308 I310 R311 L312 C326	G303-V308 VanDerWaalsContact N-CG1 3.3Å; G303-I310 PolarHBondContact N-O 2.93Å; G303-R311 WeakPolarHBondContact O-CA 3.37Å; G303-L312 PolarHBondContact O-N 3.14Å; G303-C326 CarbonylContact C-O 3.56Å; G303-C326 VanDerWaalsContact CA-O 3.3Å; G303-C326 WeakPolarHBondContact CA-O 3.4Å
304	Y	74.4	Confident	71.2	Confident	29 Å²	29	54 Å²	54	11%	0.114	26%	0.264	C	S	.	.	S	Bend	trans	-87.5	-19.1	177.2	-63.9	-52.6	0	0	0	113.5	R311 L312 P314 C326 I328 I380	Y304-R311 PolarHBondContact O-NE 3.17Å; Y304-R311 PolarHBondContact O-NH2 2.78Å; Y304-L312 HydrophobicContact CD1-CB 3.89Å; Y304-L312 WeakPolarHBondContact CD1-O 3.36Å; Y304-L312 HydrophobicContact CE1-CB 3.83Å; Y304-P314 HydrophobicContact CD1-CB 4.36Å; Y304-P314 HydrophobicContact CD1-CG 4.47Å; Y304-P314 HydrophobicContact CE1-CB 4.21Å; Y304-C326 PolarHBondContact N-O 3.5Å; Y304-I328 HydrophobicContact CD2-CD1 4.23Å; Y304-I328 HydrophobicContact CE2-CD1 4.1Å; Y304-I380 HydrophobicContact CD2-CD1 4.33Å; Y304-I380 HydrophobicContact CE2-CD1 3.53Å; Y304-I380 HydrophobicContact CE2-CG1 4.37Å
305	G	67.3	Low	71.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-64.2	156.6	-174	0	0	0	0	0	114.9	H307 V308 R311 D325	G305-H307 PolarHBondContact O-N 3.23Å; G305-V308 WeakPolarHBondContact O-CB 3.34Å; G305-V308 WeakPolarHBondContact O-CG2 3.37Å; G305-R311 WeakPolarHBondContact O-CD 3.2Å; G305-R311 PolarHBondContact O-NE 3.31Å; G305-D325 WeakPolarHBondContact CA-OD1 3.37Å
306	K	71	Confident	72	Confident	170 Å²	170	50.1 Å²	50.1	74%	0.739	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-19.1	177.8	-72.4	-179.9	179.7	174.7	0	113.1	V308 D325	K306-V308 VanDerWaalsContact C-N 3.31Å; K306-D325 PolarHBondContact N-OD1 3.49Å
307	H	69.1	Low	71.7	Confident	108 Å²	108	46.8 Å²	46.8	50%	0.5	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	9.2	-177.2	61.5	-90.2	0	0	0	113.5	G305 D325 I327	G305-H307 PolarHBondContact O-N 3.23Å; H307-D325 IonicContact CE1-OD1 3.3Å; H307-D325 PolarHBondContact CE1-OD1 3.35Å; H307-D325 VanDerWaalsContact CE1-OD1 3.3Å; H307-D325 IonicContact ND1-OD1 2.8Å; H307-D325 PolarHBondContact ND1-OD1 3.03Å; H307-I327 WeakPolarHBondContact NE2-CD1 3.35Å; H307-I327 WeakPolarHBondContact NE2-CG1 3.23Å
308	V	79.5	Confident	71.2	Confident	15 Å²	15	45.8 Å²	45.8	9%	0.091	23%	0.229	C	C	.	.			trans	-100.2	139.2	-167.9	178.3	0	0	0	0	112	T301 G303 G305 K306 I310 I327	T301-V308 WeakPolarHBondContact O-CG1 3.2Å; T301-V308 WeakPolarHBondContact OG1-CA 3.43Å; G303-V308 VanDerWaalsContact N-CG1 3.3Å; G305-V308 WeakPolarHBondContact O-CB 3.34Å; G305-V308 WeakPolarHBondContact O-CG2 3.37Å; K306-V308 VanDerWaalsContact C-N 3.31Å; V308-I310 WeakPolarHBondContact CG1-O 3.46Å; V308-I327 HydrophobicContact CG2-CG1 4.12Å
309	D	81.7	Confident	70.1	Confident	88 Å²	88	50.7 Å²	50.7	47%	0.471	25%	0.253	S	S	.	.	S	Bend	trans	-70.5	-42.9	-178.4	-57	-87.4	0	0	0	113.8	M300 T301	M300-D309 WeakPolarHBondContact CA-OD2 3.2Å; M300-D309 HydrophobicContact CB-CB 3.84Å; M300-D309 HydrophobicContact CE-CB 4.25Å; M300-D309 HydrophobicContact CG-CB 3.83Å; T301-D309 PolarHBondContact N-OD2 3.16Å; T301-D309 PolarHBondContact OG1-N 3.17Å; T301-D309 PolarHBondContact OG1-OD2 2.64Å
310	I	83.4	Confident	68.3	Low	1 Å²	1	52.7 Å²	52.7	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	86.3	174.9	-57.3	-172.3	0	0	0	107.1	F270 H285 M300 T301 I302 G303 V308 L312 V331	F270-I310 HydrophobicContact CD2-CD1 3.8Å; F270-I310 HydrophobicContact CE2-CD1 4.04Å; H285-I310 HydrophobicContact CB-CD1 4.06Å; H285-I310 HydrophobicContact CB-CG1 4.29Å; M300-I310 HydrophobicContact CE-CD1 4.07Å; M300-I310 HydrophobicContact CE-CG1 3.89Å; T301-I310 PolarHBondContact O-N 2.78Å; I302-I310 WeakPolarHBondContact CA-O 3.46Å; I302-I310 HydrophobicContact CB-CB 4.48Å; I302-I310 HydrophobicContact CD1-CD1 4.43Å; I302-I310 HydrophobicContact CG1-CB 4.03Å; I302-I310 HydrophobicContact CG1-CD1 4.3Å; I302-I310 HydrophobicContact CG1-CG2 4.33Å; I302-I310 HydrophobicContact CG2-CB 4.46Å; I302-I310 HydrophobicContact CG2-CG2 4.21Å; G303-I310 PolarHBondContact N-O 2.93Å; V308-I310 WeakPolarHBondContact CG1-O 3.46Å; I310-L312 HydrophobicContact CG2-CD2 4.45Å; I310-L312 PolarHBondContact O-N 2.91Å; I310-V331 HydrophobicContact CD1-CG2 4.43Å
311	R	75.5	Confident	66.4	Low	75 Å²	75	55.2 Å²	55.2	28%	0.283	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.6	-175.8	-166.3	165.5	-172.1	-136.3	-7.3	111.3	G303 Y304 G305 Y313	G303-R311 WeakPolarHBondContact O-CA 3.37Å; Y304-R311 PolarHBondContact O-NE 3.17Å; Y304-R311 PolarHBondContact O-NH2 2.78Å; G305-R311 WeakPolarHBondContact O-CD 3.2Å; G305-R311 PolarHBondContact O-NE 3.31Å; R311-Y313 HydrophobicContact CB-CE2 4.25Å; R311-Y313 HydrophobicContact CG-CE1 4.41Å; R311-Y313 HydrophobicContact CG-CE2 4Å; R311-Y313 WeakPolarHBondContact O-CE2 3.15Å
312	L	78.7	Confident	64.6	Low	1 Å²	1	57.7 Å²	57.7	1%	0.005	31%	0.309	C	S	.	.			trans	-86.9	163.5	165.7	-47.6	-170.9	0	0	0	108.8	I302 G303 Y304 I310 I328 F410 Y417 Y419	I302-L312 HydrophobicContact CG2-CD1 3.85Å; I302-L312 HydrophobicContact CG2-CD2 3.93Å; I302-L312 HydrophobicContact CG2-CG 3.79Å; G303-L312 PolarHBondContact O-N 3.14Å; Y304-L312 HydrophobicContact CD1-CB 3.89Å; Y304-L312 WeakPolarHBondContact CD1-O 3.36Å; Y304-L312 HydrophobicContact CE1-CB 3.83Å; I310-L312 HydrophobicContact CG2-CD2 4.45Å; I310-L312 PolarHBondContact O-N 2.91Å; L312-I328 HydrophobicContact CD1-CD1 3.87Å; L312-F410 HydrophobicContact CD1-CB 3.56Å; L312-F410 HydrophobicContact CD1-CG 4.08Å; L312-Y417 HydrophobicContact CB-CD2 4.06Å; L312-Y417 HydrophobicContact CB-CE2 3.85Å; L312-Y417 HydrophobicContact CD1-CD2 4.31Å; L312-Y417 HydrophobicContact CD2-CD1 3.84Å; L312-Y417 HydrophobicContact CD2-CD2 4.04Å; L312-Y417 HydrophobicContact CD2-CE1 4.26Å; L312-Y417 HydrophobicContact CD2-CE2 4.45Å; L312-Y417 HydrophobicContact CD2-CG 3.76Å; L312-Y417 HydrophobicContact CG-CD2 4.36Å; L312-Y419 HydrophobicContact CD2-CE2 4.08Å
313	Y	71.2	Confident	62.7	Low	29 Å²	29	66.3 Å²	66.3	11%	0.114	35%	0.35	C	S	.	.			trans	-126.8	133.6	176.2	-64.3	-96	0	0	0	111.3	N276 Q277 R280 D281 R311 Y417	N276-Y313 PolarHBondContact ND2-O 3.21Å; Q277-Y313 HydrophobicContact CB-CD2 4.49Å; Q277-Y313 HydrophobicContact CB-CG 4.13Å; Q277-Y313 HydrophobicContact CG-CG 4.27Å; R280-Y313 HydrophobicContact CB-CD1 4.17Å; R280-Y313 HydrophobicContact CB-CD2 3.95Å; R280-Y313 HydrophobicContact CB-CE1 3.74Å; R280-Y313 HydrophobicContact CB-CE2 3.55Å; R280-Y313 HydrophobicContact CB-CG 4.27Å; R280-Y313 VanDerWaalsContact CB-CZ 3.43Å; R280-Y313 VanDerWaalsContact CD-CE1 3.42Å; R280-Y313 HydrophobicContact CG-CD1 4.46Å; R280-Y313 HydrophobicContact CG-CE1 4.18Å; D281-Y313 WeakPolarHBondContact OD1-CD2 3.35Å; R311-Y313 HydrophobicContact CB-CE2 4.25Å; R311-Y313 HydrophobicContact CG-CE1 4.41Å; R311-Y313 HydrophobicContact CG-CE2 4Å; R311-Y313 WeakPolarHBondContact O-CE2 3.15Å; Y313-Y417 WeakPolarHBondContact CB-OH 3.39Å; Y313-Y417 PolarHBondContact N-OH 2.87Å
314	P	63.8	Low	61.3	Low	35 Å²	35	68.2 Å²	68.2	23%	0.227	37%	0.369	C	S	.	.			trans	-72.3	152.7	177.2	32.6	-35.2	0	0	0	109.8	Y304 E318 L319	Y304-P314 HydrophobicContact CD1-CB 4.36Å; Y304-P314 HydrophobicContact CD1-CG 4.47Å; Y304-P314 HydrophobicContact CE1-CB 4.21Å; P314-E318 HydrophobicContact CB-CB 4.33Å; P314-L319 HydrophobicContact CG-CD1 4.25Å
315	T	57	Low	60.4	Low	5 Å²	5	71 Å²	71	3%	0.031	39%	0.386	C	S	.	.			trans	-79.4	156.9	178.9	72.4	0	0	0	0	110.1	N276 S317 E318 L319 R415	N276-T315 HydrophobicContact CB-CG2 4.09Å; N276-T315 WeakPolarHBondContact ND2-CG2 3.49Å; T315-S317 PolarHBondContact O-N 2.81Å; T315-S317 PolarHBondContact OG1-OG 3.01Å; T315-S317 VanDerWaalsContact OG1-OG 3.12Å; T315-E318 WeakPolarHBondContact CA-OE2 3.27Å; T315-E318 WeakPolarHBondContact CB-OE2 3.28Å; T315-E318 VanDerWaalsContact CG2-OE2 3.25Å; T315-E318 WeakPolarHBondContact CG2-OE2 3.31Å; T315-E318 PolarHBondContact N-OE2 2.81Å; T315-E318 PolarHBondContact O-N 3.48Å; T315-E318 PolarHBondContact OG1-OE2 2.83Å; T315-L319 PolarHBondContact O-N 3.02Å; T315-R415 HydrophobicContact CG2-CB 3.75Å; T315-R415 VanDerWaalsContact CG2-CD 3.41Å; T315-R415 HydrophobicContact CG2-CG 4.22Å; T315-R415 PolarHBondContact OG1-NH1 3.11Å
316	P	51.3	Low	60.2	Low	103 Å²	103	72.4 Å²	72.4	67%	0.669	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.3	-175.8	-28.5	36.2	0	0	0	114.6	L319	P316-L319 WeakPolarHBondContact O-CB 3.49Å
317	S	46.7	Very low	60	Low	76 Å²	76	65.5 Å²	65.5	53%	0.531	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.4	175.1	42.2	0	0	0	0	114.7	T315 R415	T315-S317 PolarHBondContact O-N 2.81Å; T315-S317 PolarHBondContact OG1-OG 3.01Å; T315-S317 VanDerWaalsContact OG1-OG 3.12Å; S317-R415 PolarHBondContact OG-NH1 3.26Å
318	E	45.8	Very low	60.2	Low	60 Å²	60	60.5 Å²	60.5	28%	0.28	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-7.4	176.3	-68.6	154.5	154.7	0	0	111.5	P314 T315 N320 S321 S412	P314-E318 HydrophobicContact CB-CB 4.33Å; T315-E318 WeakPolarHBondContact CA-OE2 3.27Å; T315-E318 WeakPolarHBondContact CB-OE2 3.28Å; T315-E318 VanDerWaalsContact CG2-OE2 3.25Å; T315-E318 WeakPolarHBondContact CG2-OE2 3.31Å; T315-E318 PolarHBondContact N-OE2 2.81Å; T315-E318 PolarHBondContact O-N 3.48Å; T315-E318 PolarHBondContact OG1-OE2 2.83Å; E318-N320 PolarHBondContact O-N 3.06Å; E318-N320 VanDerWaalsContact O-N 3.12Å; E318-S321 PolarHBondContact O-OG 3.03Å; E318-S412 PolarHBondContact OE1-OG 3.24Å; E318-S412 VanDerWaalsContact OE1-OG 3.08Å
319	L	44.2	Very low	60.2	Low	123 Å²	123	59.8 Å²	59.8	64%	0.644	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.8	-175.1	-148.7	79.5	0	0	0	114.5	P314 T315 P316 S321	P314-L319 HydrophobicContact CG-CD1 4.25Å; T315-L319 PolarHBondContact O-N 3.02Å; P316-L319 WeakPolarHBondContact O-CB 3.49Å; L319-S321 VanDerWaalsContact C-N 3.27Å; L319-S321 PolarHBondContact O-N 3.01Å
320	N	41.2	Very low	60.3	Low	157 Å²	157	56.9 Å²	56.9	84%	0.84	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-12.2	-177.6	-69.5	-12	0	0	0	113.8	E318	E318-N320 PolarHBondContact O-N 3.06Å; E318-N320 VanDerWaalsContact O-N 3.12Å
321	S	44.1	Very low	60.4	Low	76 Å²	76	56.9 Å²	56.9	53%	0.531	32%	0.322	S	S	.	.	S	Bend	trans	-85.6	124.9	170.2	59.7	0	0	0	0	111.4	E318 L319 Q323	E318-S321 PolarHBondContact O-OG 3.03Å; L319-S321 VanDerWaalsContact C-N 3.27Å; L319-S321 PolarHBondContact O-N 3.01Å; S321-Q323 PolarHBondContact O-N 2.59Å
322	S	43.8	Very low	60.6	Low	58 Å²	58	53.3 Å²	53.3	41%	0.406	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	118.4	-173	54.1	0	0	0	0	115.2	H374 I376	S322-H374 PolarHBondContact OG-ND1 3.18Å; S322-I376 WeakPolarHBondContact O-CD1 3.43Å
323	Q	45.6	Very low	60.5	Low	184 Å²	184	53.3 Å²	53.3	86%	0.86	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	57.8	152.7	-68	-180	-48.1	0	0	119	S321 D325	S321-Q323 PolarHBondContact O-N 2.59Å; Q323-D325 PolarHBondContact O-N 3.18Å
324	G	50.9	Low	60.2	Low	40 Å²	40	53.7 Å²	53.7	41%	0.412	31%	0.31	S	S	.	.				73.8	-8.5	98.5	0	0	0	0	0	122.1
325	D	56	Low	59.8	Low	87 Å²	87	53.3 Å²	53.3	47%	0.465	31%	0.306	S	S	.	.			trans	-122.5	70.8	179.7	-92.2	-70.3	0	0	0	112.8	G305 K306 H307 Q323	G305-D325 WeakPolarHBondContact CA-OD1 3.37Å; K306-D325 PolarHBondContact N-OD1 3.49Å; H307-D325 IonicContact CE1-OD1 3.3Å; H307-D325 PolarHBondContact CE1-OD1 3.35Å; H307-D325 VanDerWaalsContact CE1-OD1 3.3Å; H307-D325 IonicContact ND1-OD1 2.8Å; H307-D325 PolarHBondContact ND1-OD1 3.03Å; Q323-D325 PolarHBondContact O-N 3.18Å
326	C	62.6	Low	59.3	Low	30 Å²	30	55.6 Å²	55.6	20%	0.203	32%	0.32	C	S	.	.			trans	-117.4	136.3	178.7	-176	0	0	0	0	112.5	G303 Y304 I376	G303-C326 CarbonylContact C-O 3.56Å; G303-C326 VanDerWaalsContact CA-O 3.3Å; G303-C326 WeakPolarHBondContact CA-O 3.4Å; Y304-C326 PolarHBondContact N-O 3.5Å; C326-I376 HydrophobicContact CB-CG2 4.29Å
327	I	68.7	Low	58.8	Low	25 Å²	25	54.3 Å²	54.3	13%	0.128	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.7	167.8	-57.1	165	0	0	0	108.7	T301 I302 H307 V308 A329 W354	T301-I327 HydrophobicContact CG2-CD1 3.98Å; T301-I327 HydrophobicContact CG2-CG2 4.14Å; I302-I327 WeakPolarHBondContact O-CG2 3.21Å; H307-I327 WeakPolarHBondContact NE2-CD1 3.35Å; H307-I327 WeakPolarHBondContact NE2-CG1 3.23Å; V308-I327 HydrophobicContact CG2-CG1 4.12Å; I327-A329 WeakPolarHBondContact CG2-O 3.3Å; I327-W354 HydrophobicContact CB-CB 4.33Å; I327-W354 HydrophobicContact CB-CD2 3.95Å; I327-W354 HydrophobicContact CB-CG 3.82Å; I327-W354 HydrophobicContact CD1-CD2 3.92Å; I327-W354 HydrophobicContact CD1-CE3 4.24Å; I327-W354 HydrophobicContact CD1-CH2 3.91Å; I327-W354 HydrophobicContact CD1-CZ2 3.54Å; I327-W354 HydrophobicContact CD1-CZ3 4.24Å; I327-W354 HydrophobicContact CG2-CB 3.88Å; I327-W354 HydrophobicContact CG2-CD2 3.63Å; I327-W354 HydrophobicContact CG2-CE3 3.77Å; I327-W354 HydrophobicContact CG2-CG 3.67Å
328	I	71.7	Confident	58.2	Low	2 Å²	2	53.3 Å²	53.3	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-42.3	-171.5	-60.8	164	0	0	0	111	I302 Y304 L312 I380 I382 K390	I302-I328 PolarHBondContact O-N 3.35Å; Y304-I328 HydrophobicContact CD2-CD1 4.23Å; Y304-I328 HydrophobicContact CE2-CD1 4.1Å; L312-I328 HydrophobicContact CD1-CD1 3.87Å; I328-I380 HydrophobicContact CD1-CD1 3.69Å; I328-I380 HydrophobicContact CD1-CG2 4.42Å; I328-I380 HydrophobicContact CG1-CD1 3.68Å; I328-I380 HydrophobicContact CG2-CD1 4.44Å; I328-I380 HydrophobicContact CG2-CG2 4.02Å; I328-I382 HydrophobicContact CG2-CD1 3.87Å; I328-I382 HydrophobicContact CG2-CG1 4.37Å; I328-K390 PolarHBondContact O-NZ 3.11Å; I328-K390 VanDerWaalsContact O-NZ 3.09Å
329	A	80.3	Confident	57.8	Low	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	172.6	-176.8	0	0	0	0	0	110	I302 I327 L351 E352 I382 F410	I302-A329 PolarHBondContact N-O 3.26Å; I302-A329 PolarHBondContact O-N 2.89Å; I327-A329 WeakPolarHBondContact CG2-O 3.3Å; A329-L351 HydrophobicContact CB-CD1 4.12Å; A329-E352 WeakPolarHBondContact CA-O 3.43Å; A329-I382 HydrophobicContact CB-CD1 4.13Å; A329-F410 HydrophobicContact CB-CE1 4.33Å
330	K	82.8	Confident	57.5	Low	28 Å²	28	52.5 Å²	52.5	12%	0.122	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	140.3	170.4	62	-177.3	-174.3	174.6	0	109.7	Y299 M300 V332 E352 P353 W354	Y299-K330 HydrophobicContact CD2-CB 4.38Å; M300-K330 CarbonylContact O-C 3.41Å; M300-K330 WeakPolarHBondContact O-CA 3.45Å; K330-V332 HydrophobicContact CB-CG2 4.47Å; K330-V332 HydrophobicContact CD-CG2 4Å; K330-V332 HydrophobicContact CG-CG2 3.78Å; K330-E352 HydrophobicContact CD-CB 4.32Å; K330-E352 WeakPolarHBondContact CE-OE2 3.25Å; K330-E352 HydrophobicContact CG-CB 3.84Å; K330-E352 PolarHBondContact N-O 2.63Å; K330-E352 IonicContact NZ-OE2 2.79Å; K330-E352 PolarHBondContact NZ-OE2 2.78Å; K330-E352 PolarHBondContact O-N 2.75Å; K330-P353 WeakPolarHBondContact CE-O 3.48Å; K330-W354 HydrophobicContact CB-CE3 4.24Å; K330-W354 HydrophobicContact CD-CE3 4.18Å; K330-W354 HydrophobicContact CD-CZ3 4.43Å
331	V	86.5	Confident	56.9	Low	0 Å²	0	45 Å²	45	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.7	169.7	-173.6	0	0	0	0	106.7	F270 V287 L290 Y299 M300 I302 I310 V349 F350 L351	F270-V331 HydrophobicContact CE2-CB 4.36Å; F270-V331 HydrophobicContact CE2-CG1 3.9Å; F270-V331 HydrophobicContact CE2-CG2 3.72Å; F270-V331 HydrophobicContact CZ-CG1 3.94Å; F270-V331 HydrophobicContact CZ-CG2 3.98Å; V287-V331 HydrophobicContact CG1-CG1 4Å; L290-V331 HydrophobicContact CD1-CB 4.16Å; L290-V331 HydrophobicContact CD1-CG1 3.84Å; L290-V331 WeakPolarHBondContact CD1-O 3.41Å; Y299-V331 CarbonylContact C-O 3.44Å; Y299-V331 WeakPolarHBondContact CA-O 3.34Å; Y299-V331 WeakPolarHBondContact CB-O 3.5Å; M300-V331 PolarHBondContact N-O 2.78Å; M300-V331 PolarHBondContact O-N 3.43Å; I302-V331 HydrophobicContact CD1-CG2 3.56Å; I302-V331 HydrophobicContact CG1-CG2 3.94Å; I310-V331 HydrophobicContact CD1-CG2 4.43Å; V331-V349 HydrophobicContact CG1-CG1 3.5Å; V331-V349 VanDerWaalsContact CG1-CG1 3.5Å; V331-F350 CarbonylContact C-O 3.45Å; V331-F350 WeakPolarHBondContact CA-O 3.25Å; V331-L351 HydrophobicContact CG2-CD1 3.95Å
332	V	80.2	Confident	56.4	Low	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	122.9	-171.9	-165.3	0	0	0	0	109.8	Q297 S298 K330 Y334 F350 E352	Q297-V332 HydrophobicContact CG-CG1 3.4Å; Q297-V332 VanDerWaalsContact CG-CG1 3.4Å; S298-V332 WeakPolarHBondContact O-CA 3.46Å; S298-V332 WeakPolarHBondContact O-CG1 3.49Å; K330-V332 HydrophobicContact CB-CG2 4.47Å; K330-V332 HydrophobicContact CD-CG2 4Å; K330-V332 HydrophobicContact CG-CG2 3.78Å; V332-Y334 HydrophobicContact CB-CD2 4.3Å; V332-Y334 HydrophobicContact CB-CE2 3.73Å; V332-Y334 HydrophobicContact CG1-CD2 3.8Å; V332-Y334 HydrophobicContact CG1-CE1 4.48Å; V332-Y334 HydrophobicContact CG1-CE2 3.21Å; V332-F350 PolarHBondContact N-O 2.95Å; V332-F350 PolarHBondContact O-N 3.17Å; V332-E352 HydrophobicContact CG2-CB 3.92Å; V332-E352 HydrophobicContact CG2-CG 4.02Å
333	G	75.6	Confident	55.9	Low	1 Å²	1	47 Å²	47	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.4	168.8	0	0	0	0	0	109.6	L290 S298	L290-G333 CarbonylContact O-C 3.47Å; L290-G333 WeakPolarHBondContact O-CA 3.46Å; S298-G333 PolarHBondContact N-O 2.87Å; S298-G333 PolarHBondContact O-N 3.12Å
334	Y	64.8	Low	55.4	Low	37 Å²	37	40.3 Å²	40.3	15%	0.145	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.6	169.6	-68.9	-94.1	0	0	0	108.5	Q297 V332 V336 S347 L348 F350 E352 R399	Q297-Y334 HydrophobicContact CB-CD1 4.36Å; Q297-Y334 HydrophobicContact CB-CE1 3.94Å; Q297-Y334 VanDerWaalsContact CD-OH 3.22Å; Q297-Y334 HydrophobicContact CG-CD1 4.39Å; Q297-Y334 HydrophobicContact CG-CE1 3.7Å; Q297-Y334 PolarHBondContact NE2-OH 2.78Å; Q297-Y334 PolarHBondContact OE1-OH 3.03Å; V332-Y334 HydrophobicContact CB-CD2 4.3Å; V332-Y334 HydrophobicContact CB-CE2 3.73Å; V332-Y334 HydrophobicContact CG1-CD2 3.8Å; V332-Y334 HydrophobicContact CG1-CE1 4.48Å; V332-Y334 HydrophobicContact CG1-CE2 3.21Å; Y334-V336 PolarHBondContact O-N 2.6Å; Y334-S347 WeakPolarHBondContact O-CA 3.2Å; Y334-L348 PolarHBondContact N-O 3.4Å; Y334-L348 PolarHBondContact O-N 3.15Å; Y334-F350 AromaticContact CD2-CD2 3.68Å; Y334-F350 HydrophobicContact CD2-CD2 3.68Å; Y334-F350 AromaticContact CD2-CE2 4Å; Y334-F350 HydrophobicContact CD2-CE2 4Å; Y334-F350 HydrophobicContact CE2-CD2 4.22Å; Y334-E352 WeakPolarHBondContact CE2-OE1 3.43Å; Y334-E352 PolarHBondContact OH-OE1 2.81Å; Y334-R399 PolarHBondContact OH-NH1 2.88Å
335	N	56.8	Low	54.8	Low	27 Å²	27	45 Å²	45	14%	0.144	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	87	158.2	-79.3	-46.3	0	0	0	107.3	I291 D293 I337 S347	I291-N335 PolarHBondContact O-ND2 3.3Å; I291-N335 PolarHBondContact O-OD1 3.3Å; D293-N335 PolarHBondContact O-ND2 3.16Å; N335-I337 PolarHBondContact O-N 2.8Å; N335-S347 WeakPolarHBondContact OD1-CB 3.3Å; N335-S347 PolarHBondContact OD1-OG 3.42Å
336	V	46.4	Very low	54.3	Low	54 Å²	54	46.6 Å²	46.6	33%	0.327	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	96.4	-178	-177	0	0	0	0	108.5	Y334 N338 E346 L348	Y334-V336 PolarHBondContact O-N 2.6Å; V336-N338 VanDerWaalsContact C-N 3.29Å; V336-N338 PolarHBondContact O-N 2.74Å; V336-E346 WeakPolarHBondContact CB-O 3.41Å; V336-E346 PolarHBondContact N-O 2.93Å; V336-E346 VanDerWaalsContact N-O 3.16Å; V336-L348 HydrophobicContact CG2-CD1 4.33Å
337	I	40.3	Very low	54	Low	75 Å²	75	46.3 Å²	46.3	39%	0.385	25%	0.252	S	S	.	.			trans	-69.1	96.6	161	-59.1	167.4	0	0	0	104.9	M296 N335 T339 N342	M296-I337 HydrophobicContact CE-CD1 3.99Å; M296-I337 HydrophobicContact SD-CD1 4.31Å; N335-I337 PolarHBondContact O-N 2.8Å; I337-T339 PolarHBondContact O-N 3.06Å; I337-N342 WeakPolarHBondContact CG2-OD1 3.03Å
338	N	33.4	Very low	53.8	Low	55 Å²	55	47 Å²	47	29%	0.294	26%	0.255	S	S	.	.			trans	-64	104.1	-179.7	-172	-12.1	0	0	0	108.3	V336 S340 N341	V336-N338 VanDerWaalsContact C-N 3.29Å; V336-N338 PolarHBondContact O-N 2.74Å; N338-S340 PolarHBondContact O-N 3.42Å; N338-S340 VanDerWaalsContact O-N 3.17Å; N338-S340 PolarHBondContact OD1-N 3.4Å; N338-S340 PolarHBondContact OD1-OG 2.96Å; N338-N341 HydrophobicContact CB-CB 4.3Å; N338-N341 CarbonylContact O-C 3.48Å; N338-N341 PolarHBondContact O-N 3.28Å
339	T	38.7	Very low	54.1	Low	121 Å²	121	47.1 Å²	47.1	74%	0.742	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.5	-171	47.2	0	0	0	0	113	N154 I337	N154-T339 PolarHBondContact ND2-O 3.18Å; I337-T339 PolarHBondContact O-N 3.06Å
340	S	36.3	Very low	54.1	Low	45 Å²	45	48.1 Å²	48.1	32%	0.315	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-23.9	168.5	70.2	0	0	0	0	113.8	N154 N338	N154-S340 VanDerWaalsContact CB-O 3.27Å; N154-S340 WeakPolarHBondContact CB-O 3.44Å; N338-S340 PolarHBondContact O-N 3.42Å; N338-S340 VanDerWaalsContact O-N 3.17Å; N338-S340 PolarHBondContact OD1-N 3.4Å; N338-S340 PolarHBondContact OD1-OG 2.96Å
341	N	30.3	Very low	54.1	Low	1 Å²	1	46.8 Å²	46.8	1%	0.005	26%	0.255	C	S	.	.			trans	-151.5	83.2	-156.9	-146.7	9	0	0	0	113.9	S156 T158 I160 N338 S343	S156-N341 VanDerWaalsContact CB-ND2 3.34Å; S156-N341 WeakPolarHBondContact CB-ND2 3.32Å; S156-N341 WeakPolarHBondContact CB-OD1 3.39Å; S156-N341 PolarHBondContact OG-ND2 2.93Å; S156-N341 PolarHBondContact OG-OD1 2.85Å; T158-N341 PolarHBondContact O-ND2 3.45Å; T158-N341 PolarHBondContact OG1-ND2 3.44Å; I160-N341 HydrophobicContact CD1-CB 3.93Å; I160-N341 WeakPolarHBondContact CD1-ND2 3.33Å; I160-N341 WeakPolarHBondContact CD1-O 3.34Å; I160-N341 WeakPolarHBondContact CD1-OD1 3.4Å; N338-N341 HydrophobicContact CB-CB 4.3Å; N338-N341 CarbonylContact O-C 3.48Å; N338-N341 PolarHBondContact O-N 3.28Å; N341-S343 VanDerWaalsContact C-N 3.31Å; N341-S343 PolarHBondContact O-N 3.46Å
342	N	33.2	Very low	53.7	Low	124 Å²	124	47.5 Å²	47.5	66%	0.663	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	36.6	-155	-140.4	0.3	0	0	0	116.1	I337	I337-N342 WeakPolarHBondContact CG2-OD1 3.03Å
343	S	33.7	Very low	53.3	Low	51 Å²	51	48.7 Å²	48.7	36%	0.357	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139	7.9	-177.8	46.8	0	0	0	0	117.6	I160 N341	I160-S343 WeakPolarHBondContact CB-OG 3.45Å; I160-S343 VanDerWaalsContact CD1-OG 3.22Å; I160-S343 WeakPolarHBondContact CD1-OG 3.43Å; I160-S343 VanDerWaalsContact CG2-OG 3.3Å; I160-S343 WeakPolarHBondContact CG2-OG 3.33Å; N341-S343 VanDerWaalsContact C-N 3.31Å; N341-S343 PolarHBondContact O-N 3.46Å
344	S	34.3	Very low	52.9	Low	44 Å²	44	53.1 Å²	53.1	31%	0.308	28%	0.282	S	S	.	.			trans	-134.7	105.1	168.2	58.7	0	0	0	0	110.6	I160 E346	I160-S344 WeakPolarHBondContact CD1-OG 3.41Å; S344-E346 PolarHBondContact O-N 2.92Å
345	K	38.1	Very low	52.5	Low	139 Å²	139	55.8 Å²	55.8	60%	0.604	30%	0.299	S	S	*	.			trans	-75	90.2	169.2	-72.1	-173.7	178.2	-175.2	0	108.7	S347	K345-S347 PolarHBondContact O-N 3.43Å; K345-S347 VanDerWaalsContact O-N 3.12Å
346	E	45.7	Very low	52	Low	120 Å²	120	63.1 Å²	63.1	56%	0.561	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	103.1	168.4	-69	-165.7	165.3	0	0	108.9	V336 S344 L348	V336-E346 WeakPolarHBondContact CB-O 3.41Å; V336-E346 PolarHBondContact N-O 2.93Å; V336-E346 VanDerWaalsContact N-O 3.16Å; S344-E346 PolarHBondContact O-N 2.92Å; E346-L348 HydrophobicContact CB-CD2 4.18Å; E346-L348 HydrophobicContact CB-CG 4.07Å; E346-L348 PolarHBondContact O-N 3.13Å; E346-L348 VanDerWaalsContact O-N 3.1Å
347	S	56.1	Low	51.5	Low	23 Å²	23	63.7 Å²	63.7	16%	0.161	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	86	176	-51.8	0	0	0	0	109.8	I291 Y334 N335 K345 R425	I291-S347 WeakPolarHBondContact CD1-O 3.46Å; I291-S347 WeakPolarHBondContact CG2-OG 3.16Å; Y334-S347 WeakPolarHBondContact O-CA 3.2Å; N335-S347 WeakPolarHBondContact OD1-CB 3.3Å; N335-S347 PolarHBondContact OD1-OG 3.42Å; K345-S347 PolarHBondContact O-N 3.43Å; K345-S347 VanDerWaalsContact O-N 3.12Å; S347-R425 PolarHBondContact O-NH2 3.37Å
348	L	65.5	Low	51	Low	40 Å²	40	68 Å²	68	21%	0.209	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	138.9	-174.3	-61.5	-177.8	0	0	0	111.5	Y334 V336 E346 F350	Y334-L348 PolarHBondContact N-O 3.4Å; Y334-L348 PolarHBondContact O-N 3.15Å; V336-L348 HydrophobicContact CG2-CD1 4.33Å; E346-L348 HydrophobicContact CB-CD2 4.18Å; E346-L348 HydrophobicContact CB-CG 4.07Å; E346-L348 PolarHBondContact O-N 3.13Å; E346-L348 VanDerWaalsContact O-N 3.1Å; L348-F350 HydrophobicContact CB-CD2 4.33Å; L348-F350 HydrophobicContact CB-CE2 3.5Å; L348-F350 VanDerWaalsContact CB-CE2 3.5Å; L348-F350 HydrophobicContact CB-CZ 3.97Å; L348-F350 HydrophobicContact CD1-CE2 4.39Å; L348-F350 HydrophobicContact CD1-CZ 4.07Å
349	V	77.9	Confident	50.9	Low	5 Å²	5	69.7 Å²	69.7	3%	0.03	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.1	174.3	-171.5	0	0	0	0	109.5	P268 V287 I291 V331 L402 F421	P268-V349 HydrophobicContact CB-CG2 4.12Å; P268-V349 HydrophobicContact CG-CG2 3.83Å; V287-V349 HydrophobicContact CG1-CG1 4.13Å; I291-V349 HydrophobicContact CD1-CG2 3.83Å; V331-V349 HydrophobicContact CG1-CG1 3.5Å; V331-V349 VanDerWaalsContact CG1-CG1 3.5Å; V349-L402 HydrophobicContact CG1-CD1 4.22Å; V349-L402 PolarHBondContact O-N 2.81Å; V349-F421 HydrophobicContact CB-CE2 4.2Å; V349-F421 HydrophobicContact CB-CZ 3.76Å; V349-F421 HydrophobicContact CG1-CE2 4.15Å; V349-F421 HydrophobicContact CG1-CZ 4.21Å; V349-F421 HydrophobicContact CG2-CE2 4.26Å; V349-F421 HydrophobicContact CG2-CZ 3.81Å
350	F	80	Confident	50.6	Low	21 Å²	21	68.8 Å²	68.8	9%	0.092	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	151.8	176.9	-60.2	-99.7	0	0	0	110.5	V331 V332 Y334 L348 R399 Q400 Q401	V331-F350 CarbonylContact C-O 3.45Å; V331-F350 WeakPolarHBondContact CA-O 3.25Å; V332-F350 PolarHBondContact N-O 2.95Å; V332-F350 PolarHBondContact O-N 3.17Å; Y334-F350 AromaticContact CD2-CD2 3.68Å; Y334-F350 HydrophobicContact CD2-CD2 3.68Å; Y334-F350 AromaticContact CD2-CE2 4Å; Y334-F350 HydrophobicContact CD2-CE2 4Å; Y334-F350 HydrophobicContact CE2-CD2 4.22Å; L348-F350 HydrophobicContact CB-CD2 4.33Å; L348-F350 HydrophobicContact CB-CE2 3.5Å; L348-F350 VanDerWaalsContact CB-CE2 3.5Å; L348-F350 HydrophobicContact CB-CZ 3.97Å; L348-F350 HydrophobicContact CD1-CE2 4.39Å; L348-F350 HydrophobicContact CD1-CZ 4.07Å; F350-R399 HydrophobicContact CB-CG 4.03Å; F350-R399 HydrophobicContact CD1-CG 3.66Å; F350-R399 HydrophobicContact CE1-CG 4.45Å; F350-R399 HydrophobicContact CG-CG 4.09Å; F350-R399 VanDerWaalsContact CZ-NH2 3.34Å; F350-Q400 CarbonylContact C-O 3.58Å; F350-Q400 WeakPolarHBondContact CA-O 3.28Å; F350-Q400 WeakPolarHBondContact CB-O 3.21Å; F350-Q401 HydrophobicContact CD1-CB 3.74Å; F350-Q401 HydrophobicContact CD1-CG 4.22Å; F350-Q401 HydrophobicContact CE1-CB 3.64Å; F350-Q401 HydrophobicContact CE1-CG 3.93Å; F350-Q401 HydrophobicContact CZ-CB 4.49Å; F350-Q401 HydrophobicContact CZ-CG 4.3Å
351	L	82.7	Confident	50.4	Low	0 Å²	0	72.1 Å²	72.1	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.8	160.1	-169.7	65.3	0	0	0	107.5	I302 A329 V331 I382 V384 F397 R399 Q400 L402 I408 F410	I302-L351 HydrophobicContact CD1-CD1 3.99Å; A329-L351 HydrophobicContact CB-CD1 4.12Å; V331-L351 HydrophobicContact CG2-CD1 3.95Å; L351-I382 HydrophobicContact CD2-CG2 4.02Å; L351-V384 HydrophobicContact CD2-CG2 4.14Å; L351-F397 HydrophobicContact CB-CZ 4.02Å; L351-F397 HydrophobicContact CD2-CE2 4.06Å; L351-F397 HydrophobicContact CD2-CZ 3.89Å; L351-F397 HydrophobicContact CG-CE2 4.29Å; L351-F397 HydrophobicContact CG-CZ 3.68Å; L351-F397 VanDerWaalsContact O-CE1 3.29Å; L351-F397 WeakPolarHBondContact O-CE1 3.33Å; L351-R399 WeakPolarHBondContact O-CA 3.3Å; L351-Q400 PolarHBondContact N-O 2.88Å; L351-Q400 PolarHBondContact O-N 2.92Å; L351-L402 HydrophobicContact CB-CD1 4.41Å; L351-L402 HydrophobicContact CB-CD2 4.32Å; L351-L402 HydrophobicContact CB-CG 4.49Å; L351-I408 HydrophobicContact CD2-CG2 4.06Å; L351-F410 HydrophobicContact CD1-CE1 4.32Å; L351-F410 HydrophobicContact CD1-CZ 4.03Å; L351-F410 HydrophobicContact CD2-CE1 4.14Å; L351-F410 HydrophobicContact CD2-CZ 3.99Å
352	E	78.2	Confident	50.4	Low	15 Å²	15	78.1 Å²	78.1	7%	0.07	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.9	-177.6	-81.4	-171.5	-171.3	0	0	110.5	A329 K330 V332 Y334 R399	A329-E352 WeakPolarHBondContact CA-O 3.43Å; K330-E352 HydrophobicContact CD-CB 4.32Å; K330-E352 WeakPolarHBondContact CE-OE2 3.25Å; K330-E352 HydrophobicContact CG-CB 3.84Å; K330-E352 PolarHBondContact N-O 2.63Å; K330-E352 IonicContact NZ-OE2 2.79Å; K330-E352 PolarHBondContact NZ-OE2 2.78Å; K330-E352 PolarHBondContact O-N 2.75Å; V332-E352 HydrophobicContact CG2-CB 3.92Å; V332-E352 HydrophobicContact CG2-CG 4.02Å; Y334-E352 WeakPolarHBondContact CE2-OE1 3.43Å; Y334-E352 PolarHBondContact OH-OE1 2.81Å; E352-R399 HydrophobicContact CG-CB 3.96Å; E352-R399 HydrophobicContact CG-CG 3.73Å; E352-R399 WeakPolarHBondContact OE1-CD 3.45Å; E352-R399 IonicContact OE1-CZ 3.76Å; E352-R399 IonicContact OE1-NE 3.93Å; E352-R399 IonicContact OE1-NH1 2.75Å; E352-R399 PolarHBondContact OE1-NH1 2.8Å
353	P	71.2	Confident	50.1	Low	25 Å²	25	76.3 Å²	76.3	16%	0.162	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	162.3	174.7	33.6	-32.7	0	0	0	110.6	K330 D355 F397	K330-P353 WeakPolarHBondContact CE-O 3.48Å; P353-D355 PolarHBondContact O-N 2.77Å; P353-F397 HydrophobicContact CB-CB 4.29Å; P353-F397 HydrophobicContact CB-CD1 4Å; P353-F397 HydrophobicContact CB-CG 4.49Å; P353-F397 HydrophobicContact CG-CD1 4.18Å
354	W	66.6	Low	49.9	Very low	94 Å²	94	79.1 Å²	79.1	36%	0.356	45%	0.448	S	S	.	.			trans	-88	103.6	167	-172.7	-104.1	0	0	0	110.2	Y299 T301 I327 K330	Y299-W354 HydrophobicContact CD2-CZ3 4.32Å; Y299-W354 HydrophobicContact CE2-CH2 4.13Å; Y299-W354 AromaticContact CE2-CZ3 3.75Å; Y299-W354 HydrophobicContact CE2-CZ3 3.75Å; T301-W354 HydrophobicContact CG2-CE3 4.29Å; T301-W354 HydrophobicContact CG2-CH2 4.31Å; T301-W354 HydrophobicContact CG2-CZ3 3.79Å; I327-W354 HydrophobicContact CB-CB 4.33Å; I327-W354 HydrophobicContact CB-CD2 3.95Å; I327-W354 HydrophobicContact CB-CG 3.82Å; I327-W354 HydrophobicContact CD1-CD2 3.92Å; I327-W354 HydrophobicContact CD1-CE3 4.24Å; I327-W354 HydrophobicContact CD1-CH2 3.91Å; I327-W354 HydrophobicContact CD1-CZ2 3.54Å; I327-W354 HydrophobicContact CD1-CZ3 4.24Å; I327-W354 HydrophobicContact CG2-CB 3.88Å; I327-W354 HydrophobicContact CG2-CD2 3.63Å; I327-W354 HydrophobicContact CG2-CE3 3.77Å; I327-W354 HydrophobicContact CG2-CG 3.67Å; K330-W354 HydrophobicContact CB-CE3 4.24Å; K330-W354 HydrophobicContact CD-CE3 4.18Å; K330-W354 HydrophobicContact CD-CZ3 4.43Å
355	D	56.8	Low	49.5	Very low	92 Å²	92	84.3 Å²	84.3	49%	0.492	48%	0.478	S	S	.	.			trans	-88	138.5	173.2	-70.6	-60.9	0	0	0	110.8	P353 G357	P353-D355 PolarHBondContact O-N 2.77Å; D355-G357 PolarHBondContact O-N 2.82Å
356	Q	47.1	Very low	49	Very low	182 Å²	182	80.7 Å²	80.7	85%	0.85	48%	0.481	S	S	*	.			trans	-77.6	67.1	-179.5	-68	-177.7	-10.6	0	0	112.4
357	G	35.8	Very low	48.1	Very low	66 Å²	66	81.8 Å²	81.8	68%	0.68	50%	0.496	S	S	*	.			trans	-76.2	126.9	164.4	0	0	0	0	0	110.7	D355 D359	D355-G357 PolarHBondContact O-N 2.82Å; G357-D359 PolarHBondContact O-N 2.92Å
358	I	29.8	Very low	46.6	Very low	166 Å²	166	87.2 Å²	87.2	85%	0.851	52%	0.521	S	S	*	.			trans	-66.9	118.2	174.4	-61.3	169.3	0	0	0	108.4	P360	I358-P360 VanDerWaalsContact O-CD 3.29Å; I358-P360 WeakPolarHBondContact O-CD 3.43Å
359	D	31	Very low	44.7	Very low	89 Å²	89	90.8 Å²	90.8	48%	0.476	55%	0.545	S	S	.	.			trans	-74	111.2	172.9	-172.5	-24.3	0	0	0	109.4	G357 T361 V362	G357-D359 PolarHBondContact O-N 2.92Å; D359-T361 PolarHBondContact O-N 3.03Å; D359-T361 VanDerWaalsContact O-N 3.12Å; D359-T361 WeakPolarHBondContact OD1-CB 3.35Å; D359-T361 PolarHBondContact OD1-N 3.3Å; D359-T361 PolarHBondContact OD1-OG1 2.61Å; D359-V362 PolarHBondContact O-N 2.69Å
360	P	32	Very low	42.4	Very low	102 Å²	102	95.2 Å²	95.2	66%	0.662	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-13.4	-173.2	30	-36	0	0	0	113.1	I358 V362 S363	I358-P360 VanDerWaalsContact O-CD 3.29Å; I358-P360 WeakPolarHBondContact O-CD 3.43Å; P360-V362 VanDerWaalsContact C-N 3.31Å; P360-V362 PolarHBondContact O-N 2.88Å; P360-S363 PolarHBondContact O-OG 3.46Å; P360-S363 VanDerWaalsContact O-OG 3.08Å
361	T	33.1	Very low	39.9	Very low	116 Å²	116	101.6 Å²	101.6	71%	0.712	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-14.9	-179.9	66.7	0	0	0	0	113.7	D359 S363	D359-T361 PolarHBondContact O-N 3.03Å; D359-T361 VanDerWaalsContact O-N 3.12Å; D359-T361 WeakPolarHBondContact OD1-CB 3.35Å; D359-T361 PolarHBondContact OD1-N 3.3Å; D359-T361 PolarHBondContact OD1-OG1 2.61Å; T361-S363 PolarHBondContact O-N 3.27Å
362	V	29.4	Very low	37.1	Very low	127 Å²	127	105.3 Å²	105.3	77%	0.77	64%	0.637	S	S	*	*	S	Bend	trans	-100.4	55.4	178.2	-163.7	0	0	0	0	110.9	D359 P360	D359-V362 PolarHBondContact O-N 2.69Å; P360-V362 VanDerWaalsContact C-N 3.31Å; P360-V362 PolarHBondContact O-N 2.88Å
363	S	27.4	Very low	34.6	Very low	85 Å²	85	113.4 Å²	113.4	59%	0.594	67%	0.673	S	S	*	*			trans	-116.4	143.6	178.4	54.8	0	0	0	0	112.7	P360 T361	P360-S363 PolarHBondContact O-OG 3.46Å; P360-S363 VanDerWaalsContact O-OG 3.08Å; T361-S363 PolarHBondContact O-N 3.27Å
364	S	28.6	Very low	32.6	Very low	110 Å²	110	118.6 Å²	118.6	77%	0.769	69%	0.694	S	S	*	*	S	Bend	trans	63.1	86	179	68.7	0	0	0	0	117.9
365	T	27.4	Very low	30.7	Very low	153 Å²	153	124.9 Å²	124.9	94%	0.939	72%	0.718	S	S	*	*	S	Bend		172.5	98.9	109.7	31.9	0	0	0	0	111.2
366	G	27.4	Very low	29.7	Very low	64 Å²	64	123.2 Å²	123.2	66%	0.66	71%	0.709	S	S	*	*			trans	159.1	113.3	177.5	0	0	0	0	0	110.9	I368	G366-I368 PolarHBondContact O-N 3.32Å
367	T	26.2	Very low	29.2	Very low	143 Å²	143	121.3 Å²	121.3	88%	0.877	70%	0.7	S	S	*	*			trans	-79.6	83	-174.6	-39.4	0	0	0	0	110.4	T369	T367-T369 PolarHBondContact O-N 2.75Å
368	I	25.2	Very low	29.5	Very low	136 Å²	136	121.1 Å²	121.1	70%	0.697	68%	0.683	S	S	*	*			trans	-67.9	117.3	177.7	-59.6	176.6	0	0	0	109.1	G366	G366-I368 PolarHBondContact O-N 3.32Å
369	T	25.2	Very low	30.6	Very low	115 Å²	115	118.5 Å²	118.5	71%	0.706	67%	0.671	S	S	*	*			trans	-78.1	136.8	173.1	46.9	0	0	0	0	110.4	T367 N371	T367-T369 PolarHBondContact O-N 2.75Å; T369-N371 PolarHBondContact O-N 3.22Å
370	S	29.7	Very low	32.1	Very low	99 Å²	99	115.6 Å²	115.6	69%	0.692	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	6.9	-156	-41.5	0	0	0	0	117.8
371	N	27	Very low	33.8	Very low	155 Å²	155	112 Å²	112	83%	0.829	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	9.1	-170.2	-74.8	8.2	0	0	0	114.7	T369	T369-N371 PolarHBondContact O-N 3.22Å
372	S	24.1	Very low	35.7	Very low	77 Å²	77	106.5 Å²	106.5	54%	0.538	60%	0.596	S	S	.	*			trans	-92.9	6.8	-179.1	50.9	0	0	0	0	115.1	H374	S372-H374 PolarHBondContact O-N 3.24Å
373	F	26.3	Very low	37.6	Very low	185 Å²	185	102 Å²	102	81%	0.811	57%	0.565	S	S	*	*			trans	-73.6	65.7	172.8	-72	-75.3	0	0	0	112.3	R375	F373-R375 PolarHBondContact O-N 3.06Å
374	H	28.1	Very low	39.5	Very low	134 Å²	134	98.1 Å²	98.1	62%	0.62	54%	0.538	S	S	*	.			trans	-65.5	121.2	171.4	-88.4	-92.7	0	0	0	110.5	S322 S372 I376	S322-H374 PolarHBondContact OG-ND1 3.18Å; S372-H374 PolarHBondContact O-N 3.24Å; H374-I376 PolarHBondContact O-N 3.03Å; H374-I376 VanDerWaalsContact O-N 3.08Å
375	R	27.9	Very low	41.2	Very low	227 Å²	227	95 Å²	95	86%	0.857	51%	0.512	S	S	*	.			trans	-68.4	103.5	-178.7	-63.3	178.4	-177.1	172.2	-0.6	110.6	F373	F373-R375 PolarHBondContact O-N 3.06Å
376	I	35.9	Very low	42.7	Very low	56 Å²	56	94.2 Å²	94.2	29%	0.287	50%	0.502	S	S	.	.			trans	-106	64.2	162.2	-45.3	179.9	0	0	0	108.8	S322 C326 H374	S322-I376 WeakPolarHBondContact O-CD1 3.43Å; C326-I376 HydrophobicContact CB-CG2 4.29Å; H374-I376 PolarHBondContact O-N 3.03Å; H374-I376 VanDerWaalsContact O-N 3.08Å
377	Q	34.9	Very low	44.3	Very low	142 Å²	142	95.6 Å²	95.6	66%	0.664	50%	0.498	S	S	*	.			trans	-121.9	142.2	160.1	-55.9	166.9	-82.3	0	0	102.4
378	D	43.2	Very low	46	Very low	62 Å²	62	92 Å²	92	33%	0.332	47%	0.473	S	S	.	.	S	Bend	cis	-148.7	-13.3	43.4	-56.5	-66.6	0	0	0	114.7	I380 S392 Y393	D378-I380 PolarHBondContact O-N 2.87Å; D378-S392 WeakPolarHBondContact CB-O 3.36Å; D378-S392 WeakPolarHBondContact O-CA 3Å; D378-S392 WeakPolarHBondContact O-CB 3.28Å; D378-S392 PolarHBondContact O-OG 3.07Å; D378-Y393 HydrophobicContact CB-CD1 4.15Å; D378-Y393 HydrophobicContact CB-CD2 4.33Å; D378-Y393 HydrophobicContact CB-CE1 3.63Å; D378-Y393 HydrophobicContact CB-CE2 3.82Å; D378-Y393 HydrophobicContact CB-CG 4.45Å; D378-Y393 VanDerWaalsContact CB-CZ 3.41Å; D378-Y393 WeakPolarHBondContact OD2-CE1 3.23Å; D378-Y393 VanDerWaalsContact OD2-CZ 3.23Å; D378-Y393 PolarHBondContact OD2-OH 2.8Å
379	N	52.9	Low	47.9	Very low	111 Å²	111	86.5 Å²	86.5	59%	0.594	45%	0.446	S	S	*	.			trans	-84.9	38.4	-151.4	-67.9	-16.5	0	0	0	117.9
380	I	61.2	Low	49.5	Very low	29 Å²	29	84 Å²	84	15%	0.149	43%	0.425	C	S	.	.			trans	-122.8	106.3	-179	-48.3	167.6	0	0	0	110.5	Y304 I328 D378	Y304-I380 HydrophobicContact CD2-CD1 4.33Å; Y304-I380 HydrophobicContact CE2-CD1 3.53Å; Y304-I380 HydrophobicContact CE2-CG1 4.37Å; I328-I380 HydrophobicContact CD1-CD1 3.69Å; I328-I380 HydrophobicContact CD1-CG2 4.42Å; I328-I380 HydrophobicContact CG1-CD1 3.68Å; I328-I380 HydrophobicContact CG2-CD1 4.44Å; I328-I380 HydrophobicContact CG2-CG2 4.02Å; D378-I380 PolarHBondContact O-N 2.87Å
381	E	69.4	Low	50.5	Low	26 Å²	26	81.4 Å²	81.4	12%	0.121	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	143.5	172	-61.8	177.4	158.6	0	0	109.7	Y383 L388 G411 R413	E381-Y383 HydrophobicContact CB-CD2 4.24Å; E381-Y383 HydrophobicContact CB-CE2 3.56Å; E381-Y383 HydrophobicContact CG-CE2 4.38Å; E381-Y383 WeakPolarHBondContact OE2-CE2 3.44Å; E381-Y383 PolarHBondContact OE2-OH 3.18Å; E381-L388 HydrophobicContact CB-CD1 3.96Å; E381-L388 HydrophobicContact CG-CD1 4.37Å; E381-G411 PolarHBondContact N-O 2.96Å; E381-G411 PolarHBondContact O-N 3.11Å; E381-G411 VanDerWaalsContact O-N 3.13Å; E381-R413 IonicContact OE1-CZ 2.61Å; E381-R413 IonicContact OE1-NE 2.71Å; E381-R413 PolarHBondContact OE1-NE 3.23Å; E381-R413 IonicContact OE1-NH2 3.24Å; E381-R413 WeakPolarHBondContact OE2-CG 3.28Å; E381-R413 IonicContact OE2-NE 2.96Å
382	I	73	Confident	51.6	Low	1 Å²	1	75.7 Å²	75.7	1%	0.005	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.5	174.6	-51.2	177.3	0	0	0	108.6	I328 A329 L351 V389 K390 F397 F409 F410	I328-I382 HydrophobicContact CG2-CD1 3.87Å; I328-I382 HydrophobicContact CG2-CG1 4.37Å; A329-I382 HydrophobicContact CB-CD1 4.13Å; L351-I382 HydrophobicContact CD2-CG2 4.02Å; I382-V389 PolarHBondContact O-N 3.43Å; I382-K390 HydrophobicContact CB-CB 3.97Å; I382-K390 HydrophobicContact CD1-CB 3.94Å; I382-K390 HydrophobicContact CD1-CD 3.64Å; I382-K390 HydrophobicContact CD1-CG 4.46Å; I382-K390 HydrophobicContact CG1-CB 3.89Å; I382-K390 HydrophobicContact CG1-CD 4.16Å; I382-K390 PolarHBondContact O-N 3.28Å; I382-F397 HydrophobicContact CD1-CD2 4.32Å; I382-F397 HydrophobicContact CD1-CE2 4.42Å; I382-F397 HydrophobicContact CG2-CE2 4.12Å; I382-F409 WeakPolarHBondContact CA-O 3.44Å; I382-F410 HydrophobicContact CB-CD1 4.48Å; I382-F410 HydrophobicContact CD1-CD1 4.22Å; I382-F410 HydrophobicContact CD1-CE1 4.27Å; I382-F410 HydrophobicContact CG1-CD1 4Å; I382-F410 HydrophobicContact CG1-CE1 4.42Å; I382-F410 HydrophobicContact CG2-CD1 3.86Å; I382-F410 HydrophobicContact CG2-CE1 3.71Å
383	Y	68.3	Low	52.3	Low	32 Å²	32	79.2 Å²	79.2	13%	0.125	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	142.6	176	-57.7	-112	0	0	0	110.3	E381 V387 L388 I408 F409	E381-Y383 HydrophobicContact CB-CD2 4.24Å; E381-Y383 HydrophobicContact CB-CE2 3.56Å; E381-Y383 HydrophobicContact CG-CE2 4.38Å; E381-Y383 WeakPolarHBondContact OE2-CE2 3.44Å; E381-Y383 PolarHBondContact OE2-OH 3.18Å; Y383-V387 CarbonylContact C-O 3.52Å; Y383-V387 VanDerWaalsContact CA-O 3.24Å; Y383-V387 WeakPolarHBondContact CA-O 3.26Å; Y383-L388 HydrophobicContact CD1-CB 3.84Å; Y383-L388 HydrophobicContact CD1-CD1 4.3Å; Y383-L388 HydrophobicContact CD2-CD1 4.15Å; Y383-L388 HydrophobicContact CE1-CB 3.7Å; Y383-L388 HydrophobicContact CE1-CD1 4.04Å; Y383-L388 HydrophobicContact CE1-CG 4.33Å; Y383-L388 HydrophobicContact CE2-CD1 3.89Å; Y383-L388 HydrophobicContact CG-CD1 4.35Å; Y383-I408 WeakPolarHBondContact O-CA 3.4Å; Y383-F409 AromaticContact CD2-CD1 3.84Å; Y383-F409 HydrophobicContact CD2-CD1 3.84Å; Y383-F409 HydrophobicContact CE2-CD1 4.29Å; Y383-F409 PolarHBondContact N-O 3.42Å; Y383-F409 VanDerWaalsContact N-O 3.08Å; Y383-F409 PolarHBondContact O-N 3.27Å
384	V	66.8	Low	52.8	Low	4 Å²	4	75.9 Å²	75.9	2%	0.024	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.8	164.9	179.3	0	0	0	0	107	L351 D386 V387 V389 Q400 L402 D406 L407 I408	L351-V384 HydrophobicContact CD2-CG2 4.14Å; V384-D386 PolarHBondContact O-N 2.8Å; V384-V387 PolarHBondContact N-O 3.48Å; V384-V387 WeakPolarHBondContact O-CB 3.12Å; V384-V387 PolarHBondContact O-N 3.42Å; V384-V389 HydrophobicContact CB-CG2 4.24Å; V384-V389 HydrophobicContact CG2-CG2 4.05Å; V384-Q400 HydrophobicContact CB-CG 4.3Å; V384-Q400 HydrophobicContact CG1-CG 4.3Å; V384-Q400 HydrophobicContact CG2-CG 4.09Å; V384-L402 HydrophobicContact CG1-CD2 4.22Å; V384-L402 HydrophobicContact CG2-CD2 4.4Å; V384-D406 HydrophobicContact CG1-CB 4.31Å; V384-L407 CarbonylContact C-O 3.51Å; V384-L407 WeakPolarHBondContact CA-O 3.31Å; V384-I408 HydrophobicContact CG2-CG1 4.41Å; V384-I408 HydrophobicContact CG2-CG2 4.23Å
385	N	66	Low	53.1	Low	43 Å²	43	75.6 Å²	75.6	23%	0.23	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	-126.8	-158.5	-49.9	-48.2	0	0	0	109.2	D406 L407 S435	N385-D406 PolarHBondContact ND2-OD1 2.75Å; N385-D406 WeakPolarHBondContact OD1-CA 3.45Å; N385-L407 PolarHBondContact N-O 3.47Å; N385-L407 PolarHBondContact OD1-N 3.39Å; N385-S435 VanDerWaalsContact CG-OG 3.24Å; N385-S435 WeakPolarHBondContact OD1-CB 3.29Å; N385-S435 PolarHBondContact OD1-OG 2.89Å
386	D	59.1	Low	54.1	Low	137 Å²	137	73.6 Å²	73.6	73%	0.733	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-5.7	177.9	-53.6	-49.2	0	0	0	113.8	V384 L388	V384-D386 PolarHBondContact O-N 2.8Å; D386-L388 PolarHBondContact O-N 2.84Å
387	V	60.4	Low	55.1	Low	93 Å²	93	71.3 Å²	71.3	56%	0.564	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	112	-174.4	-175.2	0	0	0	0	110.6	Y383 V384 V389	Y383-V387 CarbonylContact C-O 3.52Å; Y383-V387 VanDerWaalsContact CA-O 3.24Å; Y383-V387 WeakPolarHBondContact CA-O 3.26Å; V384-V387 PolarHBondContact N-O 3.48Å; V384-V387 WeakPolarHBondContact O-CB 3.12Å; V384-V387 PolarHBondContact O-N 3.42Å; V387-V389 HydrophobicContact CG1-CG2 4.37Å; V387-V389 VanDerWaalsContact O-CG2 3.25Å; V387-V389 WeakPolarHBondContact O-CG2 3.46Å; V387-V389 PolarHBondContact O-N 3.12Å
388	L	61.4	Low	56.3	Low	68 Å²	68	72.2 Å²	72.2	36%	0.356	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	110.5	168.6	177.4	59.4	0	0	0	110	E381 Y383 D386 K390 P391	E381-L388 HydrophobicContact CB-CD1 3.96Å; E381-L388 HydrophobicContact CG-CD1 4.37Å; Y383-L388 HydrophobicContact CD1-CB 3.84Å; Y383-L388 HydrophobicContact CD1-CD1 4.3Å; Y383-L388 HydrophobicContact CD2-CD1 4.15Å; Y383-L388 HydrophobicContact CE1-CB 3.7Å; Y383-L388 HydrophobicContact CE1-CD1 4.04Å; Y383-L388 HydrophobicContact CE1-CG 4.33Å; Y383-L388 HydrophobicContact CE2-CD1 3.89Å; Y383-L388 HydrophobicContact CG-CD1 4.35Å; D386-L388 PolarHBondContact O-N 2.84Å; L388-K390 WeakPolarHBondContact CD1-O 3.43Å; L388-P391 HydrophobicContact CD2-CB 4.22Å
389	V	64.4	Low	57.6	Low	20 Å²	20	73.8 Å²	73.8	12%	0.121	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-22	-176.2	-156.1	0	0	0	0	112.2	I382 V384 V387 F397 Q400	I382-V389 PolarHBondContact O-N 3.43Å; V384-V389 HydrophobicContact CB-CG2 4.24Å; V384-V389 HydrophobicContact CG2-CG2 4.05Å; V387-V389 HydrophobicContact CG1-CG2 4.37Å; V387-V389 VanDerWaalsContact O-CG2 3.25Å; V387-V389 WeakPolarHBondContact O-CG2 3.46Å; V387-V389 PolarHBondContact O-N 3.12Å; V389-F397 HydrophobicContact CB-CD2 3.47Å; V389-F397 VanDerWaalsContact CB-CD2 3.47Å; V389-F397 HydrophobicContact CB-CE2 3.44Å; V389-F397 VanDerWaalsContact CB-CE2 3.44Å; V389-F397 HydrophobicContact CB-CG 4.42Å; V389-F397 HydrophobicContact CB-CZ 4.33Å; V389-F397 HydrophobicContact CG1-CD1 4.37Å; V389-F397 HydrophobicContact CG1-CD2 3.37Å; V389-F397 HydrophobicContact CG1-CE1 4.31Å; V389-F397 HydrophobicContact CG1-CE2 3.36Å; V389-F397 HydrophobicContact CG1-CG 3.91Å; V389-F397 HydrophobicContact CG1-CZ 3.83Å; V389-F397 HydrophobicContact CG2-CE2 4.3Å; V389-F397 VanDerWaalsContact O-CA 3.28Å; V389-F397 WeakPolarHBondContact O-CA 3.38Å; V389-F397 VanDerWaalsContact O-CB 3.32Å; V389-F397 WeakPolarHBondContact O-CB 3.3Å; V389-F397 WeakPolarHBondContact O-CD2 3.43Å; V389-Q400 HydrophobicContact CG1-CB 4.47Å
390	K	59.1	Low	58.6	Low	63 Å²	63	71.7 Å²	71.7	27%	0.274	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	100.3	173.1	-165.1	177.8	-173.6	-178.4	0	111.8	I328 I382 L388 F397	I328-K390 PolarHBondContact O-NZ 3.11Å; I328-K390 VanDerWaalsContact O-NZ 3.09Å; I382-K390 HydrophobicContact CB-CB 3.97Å; I382-K390 HydrophobicContact CD1-CB 3.94Å; I382-K390 HydrophobicContact CD1-CD 3.64Å; I382-K390 HydrophobicContact CD1-CG 4.46Å; I382-K390 HydrophobicContact CG1-CB 3.89Å; I382-K390 HydrophobicContact CG1-CD 4.16Å; I382-K390 PolarHBondContact O-N 3.28Å; L388-K390 WeakPolarHBondContact CD1-O 3.43Å; K390-F397 HydrophobicContact CB-CB 4.04Å; K390-F397 HydrophobicContact CB-CD2 3.93Å; K390-F397 HydrophobicContact CB-CG 4.46Å; K390-F397 HydrophobicContact CG-CB 4.19Å
391	P	51.9	Low	59.4	Low	44 Å²	44	74 Å²	74	29%	0.286	37%	0.371	S	S	.	.			trans	-81.5	144.4	166.8	33.7	-33	0	0	0	110.5	L388 Y393 L395	L388-P391 HydrophobicContact CD2-CB 4.22Å; P391-Y393 PolarHBondContact O-N 3.38Å; P391-Y393 VanDerWaalsContact O-N 3.12Å; P391-L395 HydrophobicContact CG-CB 3.95Å; P391-L395 HydrophobicContact CG-CD1 4.01Å
392	S	49.6	Very low	59.7	Low	36 Å²	36	73.1 Å²	73.1	25%	0.252	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.2	-162.7	-80.8	0	0	0	0	117.9	D378	D378-S392 WeakPolarHBondContact CB-O 3.36Å; D378-S392 WeakPolarHBondContact O-CA 3Å; D378-S392 WeakPolarHBondContact O-CB 3.28Å; D378-S392 PolarHBondContact O-OG 3.07Å
393	Y	38.9	Very low	59.3	Low	151 Å²	151	80.7 Å²	80.7	59%	0.592	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	-11.6	-155.7	-89.5	-74.7	0	0	0	119	D378 P391	D378-Y393 HydrophobicContact CB-CD1 4.15Å; D378-Y393 HydrophobicContact CB-CD2 4.33Å; D378-Y393 HydrophobicContact CB-CE1 3.63Å; D378-Y393 HydrophobicContact CB-CE2 3.82Å; D378-Y393 HydrophobicContact CB-CG 4.45Å; D378-Y393 VanDerWaalsContact CB-CZ 3.41Å; D378-Y393 WeakPolarHBondContact OD2-CE1 3.23Å; D378-Y393 VanDerWaalsContact OD2-CZ 3.23Å; D378-Y393 PolarHBondContact OD2-OH 2.8Å; P391-Y393 PolarHBondContact O-N 3.38Å; P391-Y393 VanDerWaalsContact O-N 3.12Å
394	S	37	Very low	59	Low	115 Å²	115	80.3 Å²	80.3	80%	0.804	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.9	-12	-172.3	-49.7	0	0	0	0	118.5
395	L	34.2	Very low	58.3	Low	127 Å²	127	80.2 Å²	80.2	67%	0.665	40%	0.397	S	S	*	.			trans	-117.6	134.7	-170	-72.8	161.9	0	0	0	112	P391 F397	P391-L395 HydrophobicContact CG-CB 3.95Å; P391-L395 HydrophobicContact CG-CD1 4.01Å; L395-F397 PolarHBondContact O-N 3.15Å
396	K	49.1	Very low	58.4	Low	185 Å²	185	78.5 Å²	78.5	80%	0.804	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-67.7	117.5	168.9	-67.9	-171.1	177.5	-168.9	0	108.7	Q398	K396-Q398 PolarHBondContact O-N 3.33Å
397	F	55.4	Low	58.6	Low	9 Å²	9	73.3 Å²	73.3	4%	0.039	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-50.9	130.7	166.4	163.3	-66.7	0	0	0	108.9	L351 P353 I382 V389 K390 L395 Q400	L351-F397 HydrophobicContact CB-CZ 4.02Å; L351-F397 HydrophobicContact CD2-CE2 4.06Å; L351-F397 HydrophobicContact CD2-CZ 3.89Å; L351-F397 HydrophobicContact CG-CE2 4.29Å; L351-F397 HydrophobicContact CG-CZ 3.68Å; L351-F397 VanDerWaalsContact O-CE1 3.29Å; L351-F397 WeakPolarHBondContact O-CE1 3.33Å; P353-F397 HydrophobicContact CB-CB 4.29Å; P353-F397 HydrophobicContact CB-CD1 4Å; P353-F397 HydrophobicContact CB-CG 4.49Å; P353-F397 HydrophobicContact CG-CD1 4.18Å; I382-F397 HydrophobicContact CD1-CD2 4.32Å; I382-F397 HydrophobicContact CD1-CE2 4.42Å; I382-F397 HydrophobicContact CG2-CE2 4.12Å; V389-F397 HydrophobicContact CB-CD2 3.47Å; V389-F397 VanDerWaalsContact CB-CD2 3.47Å; V389-F397 HydrophobicContact CB-CE2 3.44Å; V389-F397 VanDerWaalsContact CB-CE2 3.44Å; V389-F397 HydrophobicContact CB-CG 4.42Å; V389-F397 HydrophobicContact CB-CZ 4.33Å; V389-F397 HydrophobicContact CG1-CD1 4.37Å; V389-F397 HydrophobicContact CG1-CD2 3.37Å; V389-F397 HydrophobicContact CG1-CE1 4.31Å; V389-F397 HydrophobicContact CG1-CE2 3.36Å; V389-F397 HydrophobicContact CG1-CG 3.91Å; V389-F397 HydrophobicContact CG1-CZ 3.83Å; V389-F397 HydrophobicContact CG2-CE2 4.3Å; V389-F397 VanDerWaalsContact O-CA 3.28Å; V389-F397 WeakPolarHBondContact O-CA 3.38Å; V389-F397 VanDerWaalsContact O-CB 3.32Å; V389-F397 WeakPolarHBondContact O-CB 3.3Å; V389-F397 WeakPolarHBondContact O-CD2 3.43Å; K390-F397 HydrophobicContact CB-CB 4.04Å; K390-F397 HydrophobicContact CB-CD2 3.93Å; K390-F397 HydrophobicContact CB-CG 4.46Å; K390-F397 HydrophobicContact CG-CB 4.19Å; L395-F397 PolarHBondContact O-N 3.15Å; F397-Q400 HydrophobicContact CZ-CB 4.39Å
398	Q	61	Low	59.3	Low	161 Å²	161	69 Å²	69	75%	0.752	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-90	140.4	175.9	-173.8	170.1	-4.9	0	0	110.1	K396 Q400	K396-Q398 PolarHBondContact O-N 3.33Å; Q398-Q400 PolarHBondContact O-N 3.24Å; Q398-Q400 VanDerWaalsContact O-N 3.14Å
399	R	70.3	Confident	59.9	Low	94 Å²	94	67.2 Å²	67.2	36%	0.355	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-47.2	117.3	174.1	172.5	-177.6	176.4	146.7	-11.5	111.4	Y334 F350 L351 E352	Y334-R399 PolarHBondContact OH-NH1 2.88Å; F350-R399 HydrophobicContact CB-CG 4.03Å; F350-R399 HydrophobicContact CD1-CG 3.66Å; F350-R399 HydrophobicContact CE1-CG 4.45Å; F350-R399 HydrophobicContact CG-CG 4.09Å; F350-R399 VanDerWaalsContact CZ-NH2 3.34Å; L351-R399 WeakPolarHBondContact O-CA 3.3Å; E352-R399 HydrophobicContact CG-CB 3.96Å; E352-R399 HydrophobicContact CG-CG 3.73Å; E352-R399 WeakPolarHBondContact OE1-CD 3.45Å; E352-R399 IonicContact OE1-CZ 3.76Å; E352-R399 IonicContact OE1-NE 3.93Å; E352-R399 IonicContact OE1-NH1 2.75Å; E352-R399 PolarHBondContact OE1-NH1 2.8Å
400	Q	73.9	Confident	60.4	Low	68 Å²	68	66.4 Å²	66.4	32%	0.318	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.3	-179.5	179.3	54.6	39.9	0	0	110.2	F350 L351 V384 V389 F397 Q398	F350-Q400 CarbonylContact C-O 3.58Å; F350-Q400 WeakPolarHBondContact CA-O 3.28Å; F350-Q400 WeakPolarHBondContact CB-O 3.21Å; L351-Q400 PolarHBondContact N-O 2.88Å; L351-Q400 PolarHBondContact O-N 2.92Å; V384-Q400 HydrophobicContact CB-CG 4.3Å; V384-Q400 HydrophobicContact CG1-CG 4.3Å; V384-Q400 HydrophobicContact CG2-CG 4.09Å; V389-Q400 HydrophobicContact CG1-CB 4.47Å; F397-Q400 HydrophobicContact CZ-CB 4.39Å; Q398-Q400 PolarHBondContact O-N 3.24Å; Q398-Q400 VanDerWaalsContact O-N 3.14Å
401	Q	78.3	Confident	60.8	Low	78 Å²	78	63.5 Å²	63.5	36%	0.364	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	139.9	171.8	-172.3	174.4	-29.8	0	0	110.3	F350	F350-Q401 HydrophobicContact CD1-CB 3.74Å; F350-Q401 HydrophobicContact CD1-CG 4.22Å; F350-Q401 HydrophobicContact CE1-CB 3.64Å; F350-Q401 HydrophobicContact CE1-CG 3.93Å; F350-Q401 HydrophobicContact CZ-CB 4.49Å; F350-Q401 HydrophobicContact CZ-CG 4.3Å
402	L	74.9	Confident	61.2	Low	7 Å²	7	62.9 Å²	62.9	4%	0.037	30%	0.302	C	S	.	.			trans	-102.6	133.8	177	-56.6	-179.8	0	0	0	110.7	F270 V349 L351 V384 I408 F421	F270-L402 HydrophobicContact CE1-CD1 3.81Å; F270-L402 HydrophobicContact CZ-CD1 3.67Å; V349-L402 HydrophobicContact CG1-CD1 4.22Å; V349-L402 PolarHBondContact O-N 2.81Å; L351-L402 HydrophobicContact CB-CD1 4.41Å; L351-L402 HydrophobicContact CB-CD2 4.32Å; L351-L402 HydrophobicContact CB-CG 4.49Å; V384-L402 HydrophobicContact CG1-CD2 4.22Å; V384-L402 HydrophobicContact CG2-CD2 4.4Å; L402-I408 HydrophobicContact CD1-CD1 3.69Å; L402-I408 HydrophobicContact CD2-CD1 3.61Å; L402-I408 HydrophobicContact CD2-CG1 4.37Å; L402-I408 HydrophobicContact CG-CD1 4.3Å; L402-F421 HydrophobicContact CB-CD1 3.7Å; L402-F421 HydrophobicContact CB-CE1 3.76Å; L402-F421 HydrophobicContact CB-CG 4.11Å; L402-F421 HydrophobicContact CB-CZ 4.21Å; L402-F421 HydrophobicContact CD1-CD2 4.37Å
403	R	66.3	Low	61.1	Low	159 Å²	159	65.8 Å²	65.8	60%	0.6	31%	0.308	S	S	*	.			trans	-120.2	143.2	179.4	-61.1	-178.1	-63.8	-179.3	2.2	109.9	G405 D406	R403-G405 PolarHBondContact O-N 2.79Å; R403-D406 PolarHBondContact N-OD2 2.94Å; R403-D406 WeakPolarHBondContact O-CB 3.34Å; R403-D406 PolarHBondContact O-N 2.84Å
404	P	60.5	Low	61.6	Low	24 Å²	24	65.6 Å²	65.6	16%	0.156	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	123.3	-179	-24.4	35.9	0	0	0	111	D423 I427 L432	P404-D423 HydrophobicContact CG-CB 3.68Å; P404-I427 HydrophobicContact CB-CD1 4.17Å; P404-I427 HydrophobicContact CG-CD1 4.11Å; P404-I427 HydrophobicContact CG-CG1 4.39Å; P404-L432 HydrophobicContact CB-CD1 3.66Å
405	G	53.8	Low	62.4	Low	3 Å²	3	65.5 Å²	65.5	3%	0.031	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	115.4	-27.5	-169.4	0	0	0	0	0	113.3	R403 L407 L420 F421 S435	R403-G405 PolarHBondContact O-N 2.79Å; G405-L407 PolarHBondContact O-N 3.27Å; G405-L420 VanDerWaalsContact O-CD1 3.28Å; G405-L420 WeakPolarHBondContact O-CD1 3.2Å; G405-F421 PolarHBondContact N-O 3.43Å; G405-S435 PolarHBondContact O-OG 2.84Å
406	D	67.6	Low	64	Low	6 Å²	6	59.5 Å²	59.5	3%	0.032	26%	0.26	C	S	.	.			trans	-61.7	131.9	-179.3	-74.9	-29.1	0	0	0	112.1	V384 N385 R403 F421	V384-D406 HydrophobicContact CG1-CB 4.31Å; N385-D406 PolarHBondContact ND2-OD1 2.75Å; N385-D406 WeakPolarHBondContact OD1-CA 3.45Å; R403-D406 PolarHBondContact N-OD2 2.94Å; R403-D406 WeakPolarHBondContact O-CB 3.34Å; R403-D406 PolarHBondContact O-N 2.84Å; D406-F421 PolarHBondContact O-N 3.42Å
407	L	63.6	Low	65	Low	29 Å²	29	50.7 Å²	50.7	15%	0.152	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	147.1	169.4	-70.8	168.7	0	0	0	110.2	L273 V384 N385 G405 V418 Y419 L420 F436	L273-L407 HydrophobicContact CD1-CD2 3.65Å; V384-L407 CarbonylContact C-O 3.51Å; V384-L407 WeakPolarHBondContact CA-O 3.31Å; N385-L407 PolarHBondContact N-O 3.47Å; N385-L407 PolarHBondContact OD1-N 3.39Å; G405-L407 PolarHBondContact O-N 3.27Å; L407-V418 HydrophobicContact CD2-CG1 4.34Å; L407-Y419 CarbonylContact C-O 3.59Å; L407-Y419 WeakPolarHBondContact CA-O 3.01Å; L407-L420 HydrophobicContact CD2-CB 3.93Å; L407-L420 HydrophobicContact CD2-CD1 3.9Å; L407-L420 HydrophobicContact CD2-CG 4.49Å; L407-L420 HydrophobicContact CG-CD1 4.33Å; L407-F436 HydrophobicContact CD1-CE1 3.98Å; L407-F436 HydrophobicContact CD1-CE2 3.8Å; L407-F436 HydrophobicContact CD1-CZ 3.26Å
408	I	73.4	Confident	65.8	Low	2 Å²	2	51.9 Å²	51.9	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	126.5	-179.4	-46.8	-178.9	0	0	0	109.8	F270 L351 Y383 V384 L402 F410 V418 Y419	F270-I408 HydrophobicContact CD1-CD1 4.26Å; F270-I408 HydrophobicContact CE1-CD1 3.5Å; F270-I408 VanDerWaalsContact CE1-CD1 3.5Å; F270-I408 HydrophobicContact CZ-CD1 4.22Å; L351-I408 HydrophobicContact CD2-CG2 4.06Å; Y383-I408 WeakPolarHBondContact O-CA 3.4Å; V384-I408 HydrophobicContact CG2-CG1 4.41Å; V384-I408 HydrophobicContact CG2-CG2 4.23Å; L402-I408 HydrophobicContact CD1-CD1 3.69Å; L402-I408 HydrophobicContact CD2-CD1 3.61Å; L402-I408 HydrophobicContact CD2-CG1 4.37Å; L402-I408 HydrophobicContact CG-CD1 4.3Å; I408-F410 HydrophobicContact CB-CE2 4.2Å; I408-F410 HydrophobicContact CG2-CD2 4.13Å; I408-F410 HydrophobicContact CG2-CE1 4.32Å; I408-F410 HydrophobicContact CG2-CE2 3.37Å; I408-F410 HydrophobicContact CG2-CZ 3.47Å; I408-F410 VanDerWaalsContact CG2-CZ 3.47Å; I408-V418 WeakPolarHBondContact O-CA 3.32Å; I408-Y419 PolarHBondContact N-O 2.79Å; I408-Y419 PolarHBondContact O-N 3.39Å
409	F	74.1	Confident	66.3	Low	31 Å²	31	44.4 Å²	44.4	14%	0.136	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.4	175.2	-179.4	-94.8	0	0	0	112.1	I382 Y383 Y417 V418	I382-F409 WeakPolarHBondContact CA-O 3.44Å; Y383-F409 AromaticContact CD2-CD1 3.84Å; Y383-F409 HydrophobicContact CD2-CD1 3.84Å; Y383-F409 HydrophobicContact CE2-CD1 4.29Å; Y383-F409 PolarHBondContact N-O 3.42Å; Y383-F409 VanDerWaalsContact N-O 3.08Å; Y383-F409 PolarHBondContact O-N 3.27Å; F409-Y417 CarbonylContact C-O 3.58Å; F409-Y417 WeakPolarHBondContact CA-O 3.45Å; F409-Y417 WeakPolarHBondContact CD2-O 3.41Å; F409-V418 HydrophobicContact CD2-CG2 3.86Å
410	F	75.1	Confident	66.2	Low	3 Å²	3	40.6 Å²	40.6	1%	0.013	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	115.2	171.9	-57.4	-89.2	0	0	0	110.3	I302 L312 A329 L351 I382 I408 G416 Y417 Y419	I302-F410 HydrophobicContact CD1-CE1 3.92Å; I302-F410 HydrophobicContact CD1-CE2 3.89Å; I302-F410 HydrophobicContact CD1-CZ 3.34Å; I302-F410 HydrophobicContact CG2-CD1 4.45Å; I302-F410 HydrophobicContact CG2-CE1 4.34Å; I302-F410 HydrophobicContact CG2-CZ 4.43Å; L312-F410 HydrophobicContact CD1-CB 3.56Å; L312-F410 HydrophobicContact CD1-CG 4.08Å; A329-F410 HydrophobicContact CB-CE1 4.33Å; L351-F410 HydrophobicContact CD1-CE1 4.32Å; L351-F410 HydrophobicContact CD1-CZ 4.03Å; L351-F410 HydrophobicContact CD2-CE1 4.14Å; L351-F410 HydrophobicContact CD2-CZ 3.99Å; I382-F410 HydrophobicContact CB-CD1 4.48Å; I382-F410 HydrophobicContact CD1-CD1 4.22Å; I382-F410 HydrophobicContact CD1-CE1 4.27Å; I382-F410 HydrophobicContact CG1-CD1 4Å; I382-F410 HydrophobicContact CG1-CE1 4.42Å; I382-F410 HydrophobicContact CG2-CD1 3.86Å; I382-F410 HydrophobicContact CG2-CE1 3.71Å; I408-F410 HydrophobicContact CB-CE2 4.2Å; I408-F410 HydrophobicContact CG2-CD2 4.13Å; I408-F410 HydrophobicContact CG2-CE1 4.32Å; I408-F410 HydrophobicContact CG2-CE2 3.37Å; I408-F410 HydrophobicContact CG2-CZ 3.47Å; I408-F410 VanDerWaalsContact CG2-CZ 3.47Å; F410-G416 CarbonylContact O-C 3.53Å; F410-G416 VanDerWaalsContact O-CA 3.23Å; F410-G416 WeakPolarHBondContact O-CA 3.41Å; F410-Y417 PolarHBondContact N-O 3.47Å; F410-Y417 PolarHBondContact O-N 2.79Å; F410-Y419 HydrophobicContact CD2-CD2 4.05Å; F410-Y419 HydrophobicContact CD2-CE2 4.21Å; F410-Y419 HydrophobicContact CE2-CD2 4.02Å; F410-Y419 HydrophobicContact CE2-CE2 4.37Å
411	G	68.5	Low	66	Low	1 Å²	1	37.6 Å²	37.6	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.3	-162.9	173.9	0	0	0	0	0	114.9	E381	E381-G411 PolarHBondContact N-O 2.96Å; E381-G411 PolarHBondContact O-N 3.11Å; E381-G411 VanDerWaalsContact O-N 3.13Å
412	S	58.9	Low	65.3	Low	31 Å²	31	36 Å²	36	22%	0.217	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	155.4	170.1	65	0	0	0	0	109.8	E318 K414 R415	E318-S412 PolarHBondContact OE1-OG 3.24Å; E318-S412 VanDerWaalsContact OE1-OG 3.08Å; S412-K414 PolarHBondContact O-N 3.11Å; S412-R415 PolarHBondContact N-O 3.27Å; S412-R415 CarbonylContact O-C 3.54Å; S412-R415 PolarHBondContact O-N 2.89Å; S412-R415 PolarHBondContact OG-O 3.4Å
413	R	49.4	Very low	64.9	Low	98 Å²	98	36.1 Å²	36.1	37%	0.37	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.4	-39.5	-175.9	-72.3	-169.2	176	-153.4	0.7	114.9	E381 W501	E381-R413 IonicContact OE1-CZ 2.61Å; E381-R413 IonicContact OE1-NE 2.71Å; E381-R413 PolarHBondContact OE1-NE 3.23Å; E381-R413 IonicContact OE1-NH2 3.24Å; E381-R413 WeakPolarHBondContact OE2-CG 3.28Å; E381-R413 IonicContact OE2-NE 2.96Å; R413-W501 HydrophobicContact CB-CD2 3.77Å; R413-W501 HydrophobicContact CB-CE3 3.43Å; R413-W501 VanDerWaalsContact CB-CE3 3.43Å; R413-W501 HydrophobicContact CB-CG 4.49Å; R413-W501 HydrophobicContact CB-CH2 4.05Å; R413-W501 HydrophobicContact CB-CZ2 4.37Å; R413-W501 HydrophobicContact CB-CZ3 3.58Å; R413-W501 HydrophobicContact CG-CD2 3.96Å; R413-W501 HydrophobicContact CG-CE3 3.93Å; R413-W501 HydrophobicContact CG-CH2 3.68Å; R413-W501 HydrophobicContact CG-CZ2 3.75Å; R413-W501 HydrophobicContact CG-CZ3 3.78Å; R413-W501 VanDerWaalsContact NH1-NE1 3.14Å; R413-W501 WeakPolarHBondContact O-CZ3 3.49Å
414	K	47.7	Very low	64.4	Low	146 Å²	146	30.9 Å²	30.9	64%	0.635	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-24.1	-178.3	-62.5	-173.5	178.7	-175	0	114.3	S412	S412-K414 PolarHBondContact O-N 3.11Å
415	R	55.3	Low	64.1	Low	114 Å²	114	32.8 Å²	32.8	43%	0.43	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	129.9	-174.2	-63.7	-175.8	-178.9	155.1	-2.8	112.3	T315 S317 S412	T315-R415 HydrophobicContact CG2-CB 3.75Å; T315-R415 VanDerWaalsContact CG2-CD 3.41Å; T315-R415 HydrophobicContact CG2-CG 4.22Å; T315-R415 PolarHBondContact OG1-NH1 3.11Å; S317-R415 PolarHBondContact OG-NH1 3.26Å; S412-R415 PolarHBondContact N-O 3.27Å; S412-R415 CarbonylContact O-C 3.54Å; S412-R415 PolarHBondContact O-N 2.89Å; S412-R415 PolarHBondContact OG-O 3.4Å
416	G	67	Low	63.9	Low	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.3	172	-178.6	0	0	0	0	0	113.2	N276 F410	N276-G416 PolarHBondContact OD1-N 3.13Å; F410-G416 CarbonylContact O-C 3.53Å; F410-G416 VanDerWaalsContact O-CA 3.23Å; F410-G416 WeakPolarHBondContact O-CA 3.41Å
417	Y	70.7	Confident	63	Low	1 Å²	1	39 Å²	39	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	142.7	-177.1	-73.2	-105.7	0	0	0	111	L272 R274 N276 D281 L312 Y313 F409 F410 Y419	L272-Y417 HydrophobicContact CD1-CD1 3.75Å; L272-Y417 HydrophobicContact CD1-CE1 4.47Å; R274-Y417 CarbonylContact O-C 3.55Å; R274-Y417 VanDerWaalsContact O-CA 3.28Å; R274-Y417 WeakPolarHBondContact O-CA 3.36Å; N276-Y417 HydrophobicContact CB-CE2 3.71Å; N276-Y417 PolarHBondContact N-OH 2.97Å; D281-Y417 HydrophobicContact CB-CE1 4.44Å; D281-Y417 WeakPolarHBondContact OD1-CE1 3.3Å; D281-Y417 VanDerWaalsContact OD1-CZ 3.25Å; D281-Y417 PolarHBondContact OD1-OH 3.22Å; D281-Y417 PolarHBondContact OD2-OH 3.28Å; L312-Y417 HydrophobicContact CB-CD2 4.06Å; L312-Y417 HydrophobicContact CB-CE2 3.85Å; L312-Y417 HydrophobicContact CD1-CD2 4.31Å; L312-Y417 HydrophobicContact CD2-CD1 3.84Å; L312-Y417 HydrophobicContact CD2-CD2 4.04Å; L312-Y417 HydrophobicContact CD2-CE1 4.26Å; L312-Y417 HydrophobicContact CD2-CE2 4.45Å; L312-Y417 HydrophobicContact CD2-CG 3.76Å; L312-Y417 HydrophobicContact CG-CD2 4.36Å; Y313-Y417 WeakPolarHBondContact CB-OH 3.39Å; Y313-Y417 PolarHBondContact N-OH 2.87Å; F409-Y417 CarbonylContact C-O 3.58Å; F409-Y417 WeakPolarHBondContact CA-O 3.45Å; F409-Y417 WeakPolarHBondContact CD2-O 3.41Å; F410-Y417 PolarHBondContact N-O 3.47Å; F410-Y417 PolarHBondContact O-N 2.79Å; Y417-Y419 HydrophobicContact CD1-CE2 4.28Å
418	V	71.1	Confident	62.1	Low	33 Å²	33	38.6 Å²	38.6	20%	0.2	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.4	171.2	-178.3	0	0	0	0	108.7	L273 R274 L407 I408 F409	L273-V418 HydrophobicContact CB-CB 4.32Å; L273-V418 HydrophobicContact CB-CG1 4.11Å; L273-V418 HydrophobicContact CD1-CG1 4.19Å; L273-V418 PolarHBondContact N-O 3.18Å; R274-V418 HydrophobicContact CB-CB 4.04Å; R274-V418 HydrophobicContact CB-CG2 4.03Å; R274-V418 PolarHBondContact N-O 2.98Å; R274-V418 PolarHBondContact O-N 2.92Å; L407-V418 HydrophobicContact CD2-CG1 4.34Å; I408-V418 WeakPolarHBondContact O-CA 3.32Å; F409-V418 HydrophobicContact CD2-CG2 3.86Å
419	Y	72.5	Confident	60.7	Low	4 Å²	4	44 Å²	44	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	149.9	173.1	-67.3	-82.2	0	0	0	111.4	F270 L271 L272 H285 L312 L407 I408 F410 Y417	F270-Y419 HydrophobicContact CB-CD1 3.74Å; F270-Y419 HydrophobicContact CB-CE1 4.42Å; F270-Y419 HydrophobicContact CB-CG 4.2Å; L271-Y419 CarbonylContact O-C 3.58Å; L271-Y419 VanDerWaalsContact O-CA 3.3Å; L271-Y419 WeakPolarHBondContact O-CA 3.44Å; L272-Y419 HydrophobicContact CB-CD1 4.04Å; L272-Y419 HydrophobicContact CB-CE1 3.85Å; L272-Y419 HydrophobicContact CD1-CD1 3.86Å; L272-Y419 HydrophobicContact CD1-CD2 4.5Å; L272-Y419 HydrophobicContact CD1-CE1 3.43Å; L272-Y419 VanDerWaalsContact CD1-CE1 3.43Å; L272-Y419 HydrophobicContact CD1-CE2 4.12Å; L272-Y419 HydrophobicContact CD1-CG 4.4Å; L272-Y419 HydrophobicContact CG-CE1 4.23Å; H285-Y419 AromaticContact CD2-CE1 3.52Å; H285-Y419 AromaticContact NE2-CE1 3.6Å; H285-Y419 AromaticContact NE2-CZ 3.8Å; H285-Y419 PolarHBondContact NE2-OH 3.16Å; L312-Y419 HydrophobicContact CD2-CE2 4.08Å; L407-Y419 CarbonylContact C-O 3.59Å; L407-Y419 WeakPolarHBondContact CA-O 3.01Å; I408-Y419 PolarHBondContact N-O 2.79Å; I408-Y419 PolarHBondContact O-N 3.39Å; F410-Y419 HydrophobicContact CD2-CD2 4.05Å; F410-Y419 HydrophobicContact CD2-CE2 4.21Å; F410-Y419 HydrophobicContact CE2-CD2 4.02Å; F410-Y419 HydrophobicContact CE2-CE2 4.37Å; Y417-Y419 HydrophobicContact CD1-CE2 4.28Å
420	L	67	Low	59.4	Low	15 Å²	15	45.9 Å²	45.9	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.4	165.9	174.9	64.5	0	0	0	109.5	F270 L271 L273 G405 L407 K422 L434	F270-L420 WeakPolarHBondContact CA-O 3.41Å; L271-L420 PolarHBondContact N-O 2.86Å; L271-L420 PolarHBondContact O-N 3.15Å; L273-L420 HydrophobicContact CD1-CB 4.15Å; L273-L420 HydrophobicContact CG-CB 4.36Å; G405-L420 VanDerWaalsContact O-CD1 3.28Å; G405-L420 WeakPolarHBondContact O-CD1 3.2Å; L407-L420 HydrophobicContact CD2-CB 3.93Å; L407-L420 HydrophobicContact CD2-CD1 3.9Å; L407-L420 HydrophobicContact CD2-CG 4.49Å; L407-L420 HydrophobicContact CG-CD1 4.33Å; L420-K422 HydrophobicContact CD2-CG 4.42Å; L420-K422 HydrophobicContact CG-CG 4.32Å; L420-L434 HydrophobicContact CD1-CD2 3.98Å; L420-L434 HydrophobicContact CD2-CD2 4.49Å
421	F	70.2	Confident	57.8	Low	4 Å²	4	49.5 Å²	49.5	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	133.1	174.2	-175.8	-112.1	0	0	0	111.3	P268 F270 V349 L402 G405 D406	P268-F421 HydrophobicContact CB-CE2 3.63Å; P268-F421 HydrophobicContact CB-CZ 3.61Å; F270-F421 HydrophobicContact CD1-CB 4.14Å; F270-F421 AromaticContact CD1-CD2 3.91Å; F270-F421 HydrophobicContact CD1-CD2 3.91Å; F270-F421 HydrophobicContact CE1-CB 3.99Å; F270-F421 AromaticContact CE1-CD2 3.47Å; F270-F421 HydrophobicContact CE1-CD2 3.47Å; F270-F421 VanDerWaalsContact CE1-CD2 3.47Å; F270-F421 HydrophobicContact CE1-CE2 4.35Å; F270-F421 HydrophobicContact CE1-CG 4.09Å; F270-F421 HydrophobicContact CZ-CD2 4.01Å; F270-F421 HydrophobicContact CZ-CE2 4.48Å; V349-F421 HydrophobicContact CB-CE2 4.2Å; V349-F421 HydrophobicContact CB-CZ 3.76Å; V349-F421 HydrophobicContact CG1-CE2 4.15Å; V349-F421 HydrophobicContact CG1-CZ 4.21Å; V349-F421 HydrophobicContact CG2-CE2 4.26Å; V349-F421 HydrophobicContact CG2-CZ 3.81Å; L402-F421 HydrophobicContact CB-CD1 3.7Å; L402-F421 HydrophobicContact CB-CE1 3.76Å; L402-F421 HydrophobicContact CB-CG 4.11Å; L402-F421 HydrophobicContact CB-CZ 4.21Å; L402-F421 HydrophobicContact CD1-CD2 4.37Å; G405-F421 PolarHBondContact N-O 3.43Å; D406-F421 PolarHBondContact O-N 3.42Å
422	K	63.2	Low	56.7	Low	45 Å²	45	51.2 Å²	51.2	20%	0.196	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.8	175.4	-69.4	-167.4	175.1	-148.2	0	110.8	P268 Y269 L420 L432	P268-K422 CarbonylContact C-O 3.46Å; P268-K422 WeakPolarHBondContact CA-O 3.17Å; Y269-K422 HydrophobicContact CD1-CB 4.27Å; Y269-K422 HydrophobicContact CE1-CB 3.85Å; Y269-K422 HydrophobicContact CE2-CB 4.44Å; Y269-K422 HydrophobicContact CE2-CD 4.47Å; Y269-K422 PolarHBondContact N-O 2.96Å; Y269-K422 PolarHBondContact O-N 3.26Å; Y269-K422 VanDerWaalsContact O-N 3.07Å; L420-K422 HydrophobicContact CD2-CG 4.42Å; L420-K422 HydrophobicContact CG-CG 4.32Å; K422-L432 HydrophobicContact CD-CD2 4.05Å; K422-L432 VanDerWaalsContact CE-CD2 3.43Å; K422-L432 HydrophobicContact CG-CD2 4.25Å
423	D	68.3	Low	55.8	Low	10 Å²	10	57.2 Å²	57.2	5%	0.053	27%	0.274	C	S	.	.			trans	-140.3	102.9	168.3	-165.6	-21.7	0	0	0	110.7	P268 P404 R425	P268-D423 HydrophobicContact CB-CB 4.02Å; P268-D423 WeakPolarHBondContact CD-OD2 2.89Å; P404-D423 HydrophobicContact CG-CB 3.68Å; D423-R425 PolarHBondContact O-N 3.16Å; D423-R425 VanDerWaalsContact O-N 3.16Å; D423-R425 WeakPolarHBondContact OD1-CB 3.33Å; D423-R425 VanDerWaalsContact OD1-CG 3.24Å; D423-R425 WeakPolarHBondContact OD1-CG 3.19Å; D423-R425 IonicContact OD1-CZ 3.79Å; D423-R425 PolarHBondContact OD1-N 3.23Å; D423-R425 VanDerWaalsContact OD1-N 3.16Å; D423-R425 IonicContact OD1-NE 3.67Å; D423-R425 PolarHBondContact OD1-NE 2.98Å; D423-R425 IonicContact OD1-NH2 3.62Å; D423-R425 IonicContact OD2-CZ 2.68Å; D423-R425 IonicContact OD2-NE 2.76Å; D423-R425 PolarHBondContact OD2-NE 3.03Å; D423-R425 IonicContact OD2-NH2 3.14Å; D423-R425 PolarHBondContact OD2-NH2 2.91Å
424	P	54.5	Low	55.3	Low	48 Å²	48	57 Å²	57	31%	0.312	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	3.6	-174.9	33.3	-36.6	0	0	0	113.7
425	R	55.2	Low	54.8	Low	64 Å²	64	51.6 Å²	51.6	24%	0.242	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-32.5	177.9	-55.1	175.3	-58.9	141.2	6.9	112.6	N266 S347 D423	N266-R425 WeakPolarHBondContact O-CG 3.45Å; S347-R425 PolarHBondContact O-NH2 3.37Å; D423-R425 PolarHBondContact O-N 3.16Å; D423-R425 VanDerWaalsContact O-N 3.16Å; D423-R425 WeakPolarHBondContact OD1-CB 3.33Å; D423-R425 VanDerWaalsContact OD1-CG 3.24Å; D423-R425 WeakPolarHBondContact OD1-CG 3.19Å; D423-R425 IonicContact OD1-CZ 3.79Å; D423-R425 PolarHBondContact OD1-N 3.23Å; D423-R425 VanDerWaalsContact OD1-N 3.16Å; D423-R425 IonicContact OD1-NE 3.67Å; D423-R425 PolarHBondContact OD1-NE 2.98Å; D423-R425 IonicContact OD1-NH2 3.62Å; D423-R425 IonicContact OD2-CZ 2.68Å; D423-R425 IonicContact OD2-NE 2.76Å; D423-R425 PolarHBondContact OD2-NE 3.03Å; D423-R425 IonicContact OD2-NH2 3.14Å; D423-R425 PolarHBondContact OD2-NH2 2.91Å
426	C	49.1	Very low	53.6	Low	84 Å²	84	52.8 Å²	52.8	57%	0.568	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-34.8	-168.9	-57.1	0	0	0	0	112.9
427	I	48	Very low	51.8	Low	57 Å²	57	58.8 Å²	58.8	29%	0.292	31%	0.306	S	S	.	.	S	Bend	trans	-126.1	123.9	-178.8	-59.8	-176.1	0	0	0	108.2	P404 K431	P404-I427 HydrophobicContact CB-CD1 4.17Å; P404-I427 HydrophobicContact CG-CD1 4.11Å; P404-I427 HydrophobicContact CG-CG1 4.39Å; I427-K431 HydrophobicContact CG2-CB 4.03Å; I427-K431 VanDerWaalsContact CG2-O 3.32Å; I427-K431 WeakPolarHBondContact CG2-O 3.33Å
428	P	44.9	Very low	49.9	Very low	19 Å²	19	66.5 Å²	66.5	12%	0.123	34%	0.339	C	S	.	.			trans	-73.3	148	175.6	31.8	-34.6	0	0	0	110.4	F106 H430 K431	F106-P428 HydrophobicContact CE2-CB 4.36Å; P428-H430 VanDerWaalsContact CG-CE1 3.48Å; P428-H430 WeakPolarHBondContact CG-CE1 3.39Å; P428-H430 PolarHBondContact O-N 2.79Å; P428-K431 HydrophobicContact CG-CB 4.26Å; P428-K431 HydrophobicContact CG-CD 4.2Å; P428-K431 PolarHBondContact O-N 2.84Å
429	D	44.5	Very low	47.8	Very low	116 Å²	116	71.6 Å²	71.6	62%	0.62	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-54	-30.9	-170.3	-63.8	-68.5	0	0	0	114.9	K431 L432	D429-K431 PolarHBondContact O-N 3.16Å; D429-L432 WeakPolarHBondContact O-CB 3.11Å; D429-L432 PolarHBondContact O-N 3.4Å
430	H	45.9	Very low	45.8	Very low	70 Å²	70	79.2 Å²	79.2	32%	0.324	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-72.7	-4.4	177.3	77.9	-87.6	0	0	0	114.7	P428	P428-H430 VanDerWaalsContact CG-CE1 3.48Å; P428-H430 WeakPolarHBondContact CG-CE1 3.39Å; P428-H430 PolarHBondContact O-N 2.79Å
431	K	42.9	Very low	44	Very low	79 Å²	79	83.1 Å²	83.1	34%	0.343	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-121.7	15.2	175.1	-76.6	170.1	176.7	174.1	0	112	E80 I427 P428 D429 E433	E80-K431 IonicContact OE1-NZ 4Å; E80-K431 PolarHBondContact OE1-NZ 3.03Å; E80-K431 IonicContact OE2-NZ 3.56Å; E80-K431 PolarHBondContact OE2-NZ 3.09Å; I427-K431 HydrophobicContact CG2-CB 4.03Å; I427-K431 VanDerWaalsContact CG2-O 3.32Å; I427-K431 WeakPolarHBondContact CG2-O 3.33Å; P428-K431 HydrophobicContact CG-CB 4.26Å; P428-K431 HydrophobicContact CG-CD 4.2Å; P428-K431 PolarHBondContact O-N 2.84Å; D429-K431 PolarHBondContact O-N 3.16Å; K431-E433 VanDerWaalsContact C-N 3.33Å; K431-E433 PolarHBondContact O-N 3.45Å
432	L	43.9	Very low	41.9	Very low	38 Å²	38	85.9 Å²	85.9	20%	0.199	47%	0.47	C	S	.	.			trans	-79.5	82.8	174.2	-171.6	81.6	0	0	0	110.1	P404 K422 D429	P404-L432 HydrophobicContact CB-CD1 3.66Å; K422-L432 HydrophobicContact CD-CD2 4.05Å; K422-L432 VanDerWaalsContact CE-CD2 3.43Å; K422-L432 HydrophobicContact CG-CD2 4.25Å; D429-L432 WeakPolarHBondContact O-CB 3.11Å; D429-L432 PolarHBondContact O-N 3.4Å
433	E	40.3	Very low	40.1	Very low	156 Å²	156	87.1 Å²	87.1	73%	0.729	50%	0.496	S	S	*	.			trans	-72.8	137.3	173.9	-68.3	172.3	-169.5	0	0	110.7	K431	K431-E433 VanDerWaalsContact C-N 3.33Å; K431-E433 PolarHBondContact O-N 3.45Å
434	L	38.3	Very low	38	Very low	93 Å²	93	94.4 Å²	94.4	49%	0.487	53%	0.533	S	S	.	.			trans	-90.9	134.9	173	-64.3	176.6	0	0	0	109.4	L420 F436	L420-L434 HydrophobicContact CD1-CD2 3.98Å; L420-L434 HydrophobicContact CD2-CD2 4.49Å; L434-F436 HydrophobicContact CB-CD2 3.92Å; L434-F436 HydrophobicContact CB-CE2 4.34Å; L434-F436 PolarHBondContact O-N 3.29Å
435	S	37.5	Very low	36.6	Very low	34 Å²	34	98.9 Å²	98.9	24%	0.238	56%	0.555	C	S	.	*	S	Bend	trans	-73.1	61.4	-173.2	30.2	0	0	0	0	113.7	N385 G405	N385-S435 VanDerWaalsContact CG-OG 3.24Å; N385-S435 WeakPolarHBondContact OD1-CB 3.29Å; N385-S435 PolarHBondContact OD1-OG 2.89Å; G405-S435 PolarHBondContact O-OG 2.84Å
436	F	30.5	Very low	35.1	Very low	138 Å²	138	103.3 Å²	103.3	61%	0.605	58%	0.583	S	S	*	*			trans	-121.9	32.5	-179.6	-69.2	-59.8	0	0	0	113.8	L407 L434	L407-F436 HydrophobicContact CD1-CE1 3.98Å; L407-F436 HydrophobicContact CD1-CE2 3.8Å; L407-F436 HydrophobicContact CD1-CZ 3.26Å; L434-F436 HydrophobicContact CB-CD2 3.92Å; L434-F436 HydrophobicContact CB-CE2 4.34Å; L434-F436 PolarHBondContact O-N 3.29Å
437	T	29.9	Very low	33.7	Very low	126 Å²	126	107.9 Å²	107.9	77%	0.773	60%	0.598	S	S	*	*			trans	-143.2	150	164.9	65	0	0	0	0	108.7
438	K	29.8	Very low	32.5	Very low	163 Å²	163	114.1 Å²	114.1	71%	0.709	63%	0.626	S	S	*	*			cis	-150.3	157.6	4.8	-142.3	171.2	-174.5	174.8	0	108.4	D440	K438-D440 PolarHBondContact O-N 2.9Å
439	N	28.5	Very low	31.3	Very low	140 Å²	140	120 Å²	120	75%	0.749	66%	0.655	S	S	*	*			trans	-67.6	119.4	168.5	-85	-22.4	0	0	0	110	A441	N439-A441 PolarHBondContact O-N 2.79Å
440	D	29.8	Very low	30.2	Very low	164 Å²	164	121.1 Å²	121.1	88%	0.877	66%	0.661	S	S	*	*			trans	-73.2	78.5	170.5	-83.5	-33.2	0	0	0	110.7	K438 G442	K438-D440 PolarHBondContact O-N 2.9Å; D440-G442 PolarHBondContact O-N 3.04Å
441	A	28.2	Very low	29	Very low	98 Å²	98	127.9 Å²	127.9	81%	0.81	68%	0.684	S	S	*	*			trans	-72	59.9	164.9	0	0	0	0	0	110.5	N439 G443	N439-A441 PolarHBondContact O-N 2.79Å; A441-G443 PolarHBondContact O-N 2.85Å; A441-G443 VanDerWaalsContact O-N 3.09Å
442	G	27.7	Very low	28.1	Very low	61 Å²	61	130.6 Å²	130.6	63%	0.629	70%	0.702	S	S	*	*			trans	-61.7	108.5	177.2	0	0	0	0	0	110.5	D440 I444	D440-G442 PolarHBondContact O-N 3.04Å; G442-I444 PolarHBondContact O-N 3.29Å
443	G	24.6	Very low	27	Very low	71 Å²	71	135.8 Å²	135.8	73%	0.732	74%	0.735	S	S	*	*			trans	-64.2	104.3	-173.9	0	0	0	0	0	112.7	A441 N445	A441-G443 PolarHBondContact O-N 2.85Å; A441-G443 VanDerWaalsContact O-N 3.09Å; G443-N445 VanDerWaalsContact C-N 3.34Å; G443-N445 PolarHBondContact O-N 2.99Å
444	I	24	Very low	26.1	Very low	163 Å²	163	137 Å²	137	84%	0.836	74%	0.738	S	S	*	*			trans	-72.8	89.2	173	-54.4	176.5	0	0	0	108.9	G442	G442-I444 PolarHBondContact O-N 3.29Å
445	N	24.8	Very low	25.4	Very low	143 Å²	143	139.7 Å²	139.7	77%	0.765	75%	0.753	S	S	*	*			trans	-112.1	136	162.6	-79.7	-27.2	0	0	0	109.3	G443	G443-N445 VanDerWaalsContact C-N 3.34Å; G443-N445 PolarHBondContact O-N 2.99Å
446	N	23.6	Very low	24.7	Very low	157 Å²	157	146.2 Å²	146.2	84%	0.84	78%	0.783	S	S	*	*			trans	68.2	66.2	167.5	-52.2	-7.8	0	0	0	117.1
447	M	21.3	Very low	24.2	Very low	179 Å²	179	149 Å²	149	88%	0.882	80%	0.795	S	S	*	*				-116.3	130.8	128.8	-77.7	-163.5	177.9	0	0	108.7
448	E	21	Very low	23.8	Very low	188 Å²	188	147.5 Å²	147.5	88%	0.879	80%	0.795	S	S	*	*			trans	-70.9	147.8	-172.8	-65.2	-178.3	117.1	0	0	112.3	N450	E448-N450 VanDerWaalsContact C-N 3.29Å; E448-N450 PolarHBondContact O-N 2.74Å
449	I	20.7	Very low	23.6	Very low	142 Å²	142	145.2 Å²	145.2	73%	0.728	80%	0.8	S	S	*	*			trans	-74.4	82.2	-176.5	-53.8	175.6	0	0	0	109.3	R451	I449-R451 VanDerWaalsContact C-N 3.25Å; I449-R451 HydrophobicContact CG2-CG 3.8Å; I449-R451 PolarHBondContact O-N 2.94Å
450	N	22.1	Very low	23.2	Very low	140 Å²	140	145 Å²	145	75%	0.749	80%	0.804	S	S	*	*			trans	-74.5	76	-179.2	-158.6	-20.3	0	0	0	111.2	E448 N452	E448-N450 VanDerWaalsContact C-N 3.29Å; E448-N450 PolarHBondContact O-N 2.74Å; N450-N452 PolarHBondContact O-N 2.79Å; N450-N452 PolarHBondContact OD1-ND2 2.87Å
451	R	20	Very low	23	Very low	212 Å²	212	142.6 Å²	142.6	80%	0.8	80%	0.8	S	S	*	*			trans	-66.8	88.4	-179.2	-70.4	176.5	175.1	160.9	-3	111.8	I449	I449-R451 VanDerWaalsContact C-N 3.25Å; I449-R451 HydrophobicContact CG2-CG 3.8Å; I449-R451 PolarHBondContact O-N 2.94Å
452	N	23.2	Very low	22.7	Very low	137 Å²	137	145 Å²	145	73%	0.733	80%	0.799	S	S	*	*			trans	-124.3	53.5	165.2	-86	-58.2	0	0	0	112.5	N450 K454	N450-N452 PolarHBondContact O-N 2.79Å; N450-N452 PolarHBondContact OD1-ND2 2.87Å; N452-K454 PolarHBondContact O-N 3.18Å; N452-K454 VanDerWaalsContact O-N 3.12Å
453	V	20.5	Very low	22.7	Very low	147 Å²	147	148.8 Å²	148.8	89%	0.891	81%	0.805	S	S	*	*			trans	-77.3	89.3	164.6	-178.7	0	0	0	0	108.9
454	K	23.1	Very low	22.8	Very low	180 Å²	180	151.5 Å²	151.5	78%	0.783	80%	0.802	S	S	*	*			trans	-139.8	113.2	162.4	-79.9	-169	177	176.7	0	111.2	N452	N452-K454 PolarHBondContact O-N 3.18Å; N452-K454 VanDerWaalsContact O-N 3.12Å
455	N	21.8	Very low	22.7	Very low	150 Å²	150	151.2 Å²	151.2	80%	0.802	80%	0.803	S	S	*	*			trans	33.3	124.6	144.6	-53.2	-10.6	0	0	0	119.4
456	I	24.7	Very low	22.8	Very low	171 Å²	171	152.7 Å²	152.7	88%	0.877	81%	0.809	S	S	*	*				-160.1	157.8	103.3	-97.7	152.3	0	0	0	109.4
457	K	19.5	Very low	22.9	Very low	198 Å²	198	151.4 Å²	151.4	86%	0.861	81%	0.807	S	S	*	*			trans	-121.4	155.4	-179.9	-71.1	-177.4	175.5	-178.5	0	111.2
458	A	21.8	Very low	24.1	Very low	94 Å²	94	148.7 Å²	148.7	78%	0.777	80%	0.802	S	S	*	*			trans	70.7	110.8	144	0	0	0	0	0	121.6
459	S	24.1	Very low	24.2	Very low	115 Å²	115	151.1 Å²	151.1	80%	0.804	80%	0.803	S	S	*	*			trans	-174.3	121.2	139	51.9	0	0	0	0	106.3
460	V	21.9	Very low	24.4	Very low	136 Å²	136	149 Å²	149	82%	0.824	80%	0.801	S	S	*	*			cis	73.3	96.5	31.9	-170.6	0	0	0	0	114.2
461	S	25.1	Very low	24.4	Very low	113 Å²	113	148.1 Å²	148.1	79%	0.79	81%	0.806	S	S	*	*			trans	179.5	139.7	137.7	55.8	0	0	0	0	111.1
462	D	22.4	Very low	24.7	Very low	148 Å²	148	141.7 Å²	141.7	79%	0.791	81%	0.805	S	S	*	*			trans	-87.4	164.6	176.2	-49.2	-92.4	0	0	0	112.7
463	D	27	Very low	24.7	Very low	141 Å²	141	143.1 Å²	143.1	75%	0.754	81%	0.808	S	S	*	*				171.2	122.8	125.7	-94.4	-19.9	0	0	0	116.1
464	N	25.5	Very low	24.7	Very low	128 Å²	128	141.9 Å²	141.9	68%	0.684	80%	0.796	S	S	*	*			trans	50.8	110.6	133.4	-48.8	-38.9	0	0	0	124.4
465	D	21.9	Very low	24.8	Very low	157 Å²	157	140.9 Å²	140.9	84%	0.84	80%	0.799	S	S	*	*				20.5	117	126.8	-69.5	-21.6	0	0	0	121.8
466	I	27.4	Very low	24.7	Very low	174 Å²	174	143.9 Å²	143.9	89%	0.892	81%	0.805	S	S	*	*			trans	-138.3	142.2	142.3	-62.7	-173.7	0	0	0	109.7
467	T	25.8	Very low	24.5	Very low	130 Å²	130	141 Å²	141	80%	0.798	80%	0.8	S	S	*	*			trans	-107.3	165.4	-173.5	33.2	0	0	0	0	114.2
468	P	46.7	Very low	24.6	Very low	121 Å²	121	137.3 Å²	137.3	79%	0.786	79%	0.794	S	S	*	*			trans	-101.2	171.4	-147.8	39.1	-38.7	0	0	0	116.9
469	R	24	Very low	24.7	Very low	239 Å²	239	140.5 Å²	140.5	90%	0.902	79%	0.793	S	S	*	*			trans	-140	117.6	166.6	-87.4	-168.9	174.2	179.1	-0.9	115.4
470	S	24.2	Very low	24.5	Very low	97 Å²	97	139.9 Å²	139.9	68%	0.678	79%	0.789	S	S	*	*			trans	51.8	111.4	135.7	64.6	0	0	0	0	122.5
471	S	22.1	Very low	24.5	Very low	122 Å²	122	139.3 Å²	139.3	85%	0.853	79%	0.79	S	S	*	*				58	118.6	128.3	64.9	0	0	0	0	121.8
472	G	25.2	Very low	24.4	Very low	77 Å²	77	139.5 Å²	139.5	79%	0.794	79%	0.792	S	S	*	*			trans	-160.7	133.8	157.6	0	0	0	0	0	109.7
473	H	23.7	Very low	24.5	Very low	168 Å²	168	138.7 Å²	138.7	78%	0.778	79%	0.792	S	S	*	*			trans	-87.9	150	-170.4	-98.3	-99.8	0	0	0	114.2
474	D	21.9	Very low	24.4	Very low	121 Å²	121	139.6 Å²	139.6	65%	0.647	80%	0.796	S	S	*	*			trans	37.8	115.2	144.6	-48.4	-31.7	0	0	0	119.8
475	N	24	Very low	24.4	Very low	158 Å²	158	140.7 Å²	140.7	85%	0.845	80%	0.797	S	S	*	*				-171.1	154.1	94.8	-100.2	-73	0	0	0	113.5
476	F	20	Very low	24.5	Very low	213 Å²	213	140.4 Å²	140.4	93%	0.934	80%	0.795	S	S	*	*			trans	-79.3	124.2	-177.5	-81.4	-107.9	0	0	0	113
477	S	20.1	Very low	24.3	Very low	110 Å²	110	139.4 Å²	139.4	77%	0.769	79%	0.789	S	S	*	*			trans	-165.6	173.1	151.2	59.9	0	0	0	0	112.2
478	V	22.7	Very low	24.3	Very low	122 Å²	122	141.3 Å²	141.3	74%	0.739	79%	0.786	S	S	*	*			trans	77.1	97.3	170.2	-167.6	0	0	0	0	118.2
479	H	22.9	Very low	23.1	Very low	160 Å²	160	144.3 Å²	144.3	74%	0.741	79%	0.789	S	S	*	*			trans	26.9	112.1	133.8	-62	-73.2	0	0	0	122
480	S	20	Very low	23.1	Very low	103 Å²	103	141.9 Å²	141.9	72%	0.72	79%	0.786	S	S	*	*				6.6	116	119.1	58	0	0	0	0	118.8
481	S	22.9	Very low	23	Very low	123 Å²	123	146.9 Å²	146.9	86%	0.86	80%	0.795	S	S	*	*			trans	176	49.4	136.9	43.9	0	0	0	0	115.5
482	S	22.4	Very low	23.1	Very low	118 Å²	118	145.5 Å²	145.5	83%	0.825	79%	0.791	S	S	*	*			trans	-147	58	179.1	53.1	0	0	0	0	115
483	V	24.8	Very low	23	Very low	131 Å²	131	149.7 Å²	149.7	79%	0.794	79%	0.794	S	S	*	*			trans	-133.3	53.3	174.1	-163.5	0	0	0	0	110.5
484	L	24.7	Very low	23	Very low	159 Å²	159	145.3 Å²	145.3	83%	0.832	78%	0.78	S	S	*	*			trans	-131.3	9.5	-174.4	-146.7	80.4	0	0	0	115.3
485	E	25.3	Very low	23.1	Very low	152 Å²	152	143.1 Å²	143.1	71%	0.71	78%	0.779	S	S	*	*	S	Bend	trans	-107.5	-20.7	179.5	-69.1	-129.1	95.8	0	0	114.8	M487	E485-M487 PolarHBondContact O-N 3.26Å; E485-M487 VanDerWaalsContact O-N 3.1Å
486	D	23.1	Very low	23.2	Very low	150 Å²	150	141.4 Å²	141.4	80%	0.802	77%	0.769	S	S	*	*			trans	-69.7	-6.6	-177.8	-69.9	-30.9	0	0	0	114.7	K488	D486-K488 PolarHBondContact O-N 2.97Å
487	M	23.8	Very low	23.5	Very low	153 Å²	153	138 Å²	138	75%	0.754	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	21.7	179.6	-73.5	-162.2	167.6	0	0	115.1	E485	E485-M487 PolarHBondContact O-N 3.26Å; E485-M487 VanDerWaalsContact O-N 3.1Å
488	K	24.9	Very low	23.9	Very low	170 Å²	170	137.8 Å²	137.8	74%	0.739	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	13.2	-178.7	-78.9	176	-179.4	159.3	0	115.5	D486	D486-K488 PolarHBondContact O-N 2.97Å
489	Q	22.9	Very low	24.3	Very low	184 Å²	184	136.2 Å²	136.2	86%	0.86	73%	0.734	S	S	*	*			trans	-121.7	50.7	172.7	-69	-165.2	-3.1	0	0	114.4	K491	Q489-K491 VanDerWaalsContact C-N 3.33Å; Q489-K491 PolarHBondContact O-N 3.04Å
490	F	23.5	Very low	24.5	Very low	189 Å²	189	133.2 Å²	133.2	83%	0.829	72%	0.721	S	S	*	*			trans	-68.6	90.9	158.7	-80.7	-80.7	0	0	0	110.1
491	K	22.6	Very low	25.1	Very low	202 Å²	202	130.2 Å²	130.2	88%	0.878	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-75.4	139	170.7	-152.8	173.3	-174.2	179.9	0	109.1	Q489	Q489-K491 VanDerWaalsContact C-N 3.33Å; Q489-K491 PolarHBondContact O-N 3.04Å
492	A	23.7	Very low	25.4	Very low	93 Å²	93	128.3 Å²	128.3	77%	0.769	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-60.6	145.3	-169	0	0	0	0	0	113.7
493	I	22.6	Very low	25.8	Very low	164 Å²	164	125.3 Å²	125.3	84%	0.841	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-62.4	126.5	178.9	-57.7	167.8	0	0	0	109.3
494	P	23.3	Very low	25.9	Very low	77 Å²	77	122.8 Å²	122.8	50%	0.5	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-65.1	145.3	175.2	-20.8	33	0	0	0	112.5	E498	P494-E498 HydrophobicContact CB-CB 4.47Å; P494-E498 VanDerWaalsContact CB-CD 3.47Å; P494-E498 HydrophobicContact CB-CG 4.05Å; P494-E498 WeakPolarHBondContact CB-OE1 3.46Å
495	A	25.3	Very low	26.1	Very low	74 Å²	74	118.8 Å²	118.8	61%	0.612	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-72	159.8	-179.5	0	0	0	0	0	112.5	N497 E498	A495-N497 PolarHBondContact O-N 2.82Å; A495-E498 PolarHBondContact O-N 2.81Å
496	L	25.2	Very low	26.2	Very low	122 Å²	122	115.4 Å²	115.4	64%	0.639	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-50.9	-23.5	-173.2	-153.5	78.5	0	0	0	115.2	E498 L499	L496-E498 PolarHBondContact O-N 3.22Å; L496-E498 VanDerWaalsContact O-N 3.16Å; L496-L499 HydrophobicContact CD1-CD1 3.62Å; L496-L499 HydrophobicContact CG-CD1 4.11Å; L496-L499 WeakPolarHBondContact O-CB 3.41Å; L496-L499 PolarHBondContact O-N 3.32Å
497	N	27.2	Very low	26.4	Very low	141 Å²	141	111.1 Å²	111.1	75%	0.754	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-57.1	-24.9	175.1	-60.6	17	0	0	0	112.9	A495 L499	A495-N497 PolarHBondContact O-N 2.82Å; N497-L499 PolarHBondContact O-N 3.47Å
498	E	28.8	Very low	26.6	Very low	107 Å²	107	109 Å²	109	50%	0.5	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-71.4	-3.1	173.8	-74.7	-157.9	-160.2	0	0	114.4	P494 A495 L496 W501	P494-E498 HydrophobicContact CB-CB 4.47Å; P494-E498 VanDerWaalsContact CB-CD 3.47Å; P494-E498 HydrophobicContact CB-CG 4.05Å; P494-E498 WeakPolarHBondContact CB-OE1 3.46Å; A495-E498 PolarHBondContact O-N 2.81Å; L496-E498 PolarHBondContact O-N 3.22Å; L496-E498 VanDerWaalsContact O-N 3.16Å; E498-W501 PolarHBondContact O-NE1 3.47Å
499	L	30.4	Very low	26.7	Very low	88 Å²	88	106.2 Å²	106.2	46%	0.461	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-93.4	-5.5	179.7	-60.7	-179.2	0	0	0	114.9	L496 N497 W501 I502	L496-L499 HydrophobicContact CD1-CD1 3.62Å; L496-L499 HydrophobicContact CG-CD1 4.11Å; L496-L499 WeakPolarHBondContact O-CB 3.41Å; L496-L499 PolarHBondContact O-N 3.32Å; N497-L499 PolarHBondContact O-N 3.47Å; L499-W501 PolarHBondContact O-N 3.39Å; L499-W501 VanDerWaalsContact O-N 3.1Å; L499-I502 PolarHBondContact O-N 2.85Å
500	E	26.5	Very low	26.8	Very low	97 Å²	97	102.1 Å²	102.1	45%	0.453	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-54.9	-35.7	-173.9	-73.6	-145.3	100.1	0	0	113.7	I502 I503 E504 K511	E500-I502 PolarHBondContact O-N 2.72Å; E500-I502 VanDerWaalsContact O-N 3.15Å; E500-I503 CarbonylContact O-C 2.79Å; E500-I503 WeakPolarHBondContact O-CA 3.08Å; E500-I503 PolarHBondContact O-N 3.39Å; E500-E504 WeakPolarHBondContact O-CB 3.19Å; E500-E504 PolarHBondContact O-N 2.9Å; E500-K511 WeakPolarHBondContact OE1-CE 3.45Å; E500-K511 IonicContact OE1-NZ 3.04Å; E500-K511 PolarHBondContact OE1-NZ 3.31Å; E500-K511 IonicContact OE2-NZ 3.27Å; E500-K511 PolarHBondContact OE2-NZ 3.11Å
501	W	33.7	Very low	26.9	Very low	41 Å²	41	97.3 Å²	97.3	16%	0.155	53%	0.53	C	S	.	.	G	3₁₀ helix	trans	-65.9	-17.6	-174.2	57.2	-94.7	0	0	0	115.2	R413 E498 L499 I503 P505	R413-W501 HydrophobicContact CB-CD2 3.77Å; R413-W501 HydrophobicContact CB-CE3 3.43Å; R413-W501 VanDerWaalsContact CB-CE3 3.43Å; R413-W501 HydrophobicContact CB-CG 4.49Å; R413-W501 HydrophobicContact CB-CH2 4.05Å; R413-W501 HydrophobicContact CB-CZ2 4.37Å; R413-W501 HydrophobicContact CB-CZ3 3.58Å; R413-W501 HydrophobicContact CG-CD2 3.96Å; R413-W501 HydrophobicContact CG-CE3 3.93Å; R413-W501 HydrophobicContact CG-CH2 3.68Å; R413-W501 HydrophobicContact CG-CZ2 3.75Å; R413-W501 HydrophobicContact CG-CZ3 3.78Å; R413-W501 VanDerWaalsContact NH1-NE1 3.14Å; R413-W501 WeakPolarHBondContact O-CZ3 3.49Å; E498-W501 PolarHBondContact O-NE1 3.47Å; L499-W501 PolarHBondContact O-N 3.39Å; L499-W501 VanDerWaalsContact O-N 3.1Å; W501-I503 PolarHBondContact O-N 3.13Å; W501-P505 WeakPolarHBondContact O-CD 3.46Å
502	I	29.4	Very low	27	Very low	82 Å²	82	95.2 Å²	95.2	42%	0.421	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-71.6	-19.1	172.2	-63.3	174.7	0	0	0	111.1	L499 E500 R566	L499-I502 PolarHBondContact O-N 2.85Å; E500-I502 PolarHBondContact O-N 2.72Å; E500-I502 VanDerWaalsContact O-N 3.15Å; I502-R566 PolarHBondContact O-NH2 2.86Å; I502-R566 VanDerWaalsContact O-NH2 3.1Å
503	I	30.3	Very low	27.2	Very low	55 Å²	55	95.4 Å²	95.4	28%	0.282	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-38	-168.9	-54.7	-180	0	0	0	111.1	E500 W501 L506 L507	E500-I503 CarbonylContact O-C 2.79Å; E500-I503 WeakPolarHBondContact O-CA 3.08Å; E500-I503 PolarHBondContact O-N 3.39Å; W501-I503 PolarHBondContact O-N 3.13Å; I503-L506 CarbonylContact O-C 3.37Å; I503-L506 WeakPolarHBondContact O-CA 3.25Å; I503-L506 WeakPolarHBondContact O-CB 3.46Å; I503-L506 PolarHBondContact O-N 2.94Å; I503-L507 HydrophobicContact CG2-CB 4.47Å; I503-L507 HydrophobicContact CG2-CD1 3.38Å; I503-L507 HydrophobicContact CG2-CG 3.68Å; I503-L507 PolarHBondContact O-N 3.47Å
504	E	27.7	Very low	27.3	Very low	79 Å²	79	95 Å²	95	37%	0.369	52%	0.523	S	S	.	.	H	α-helix	trans	-57.5	-44	-171.3	-176.5	170.7	-103.8	0	0	114.4	E500 L506 L507 V508 K511	E500-E504 WeakPolarHBondContact O-CB 3.19Å; E500-E504 PolarHBondContact O-N 2.9Å; E504-L506 PolarHBondContact O-N 3.18Å; E504-L507 PolarHBondContact O-N 3.21Å; E504-L507 VanDerWaalsContact O-N 3.11Å; E504-V508 WeakPolarHBondContact O-CG2 3.46Å; E504-V508 PolarHBondContact O-N 2.87Å; E504-V508 VanDerWaalsContact O-N 3.13Å; E504-K511 IonicContact OE1-NZ 3.88Å; E504-K511 PolarHBondContact OE1-NZ 3.12Å
505	P	27.6	Very low	27.4	Very low	74 Å²	74	97.1 Å²	97.1	48%	0.481	54%	0.539	S	S	.	.	H	α-helix	trans	-62.2	-13.4	174.3	-22	34.3	0	0	0	114.5	W501	W501-P505 WeakPolarHBondContact O-CD 3.46Å
506	L	28.1	Very low	27.4	Very low	82 Å²	82	98.3 Å²	98.3	43%	0.429	55%	0.549	S	S	.	.	H	α-helix	trans	-104.7	-16.5	179.6	-55.7	171	0	0	0	112.5	I503 E504	I503-L506 CarbonylContact O-C 3.37Å; I503-L506 WeakPolarHBondContact O-CA 3.25Å; I503-L506 WeakPolarHBondContact O-CB 3.46Å; I503-L506 PolarHBondContact O-N 2.94Å; E504-L506 PolarHBondContact O-N 3.18Å
507	L	26.1	Very low	27.3	Very low	60 Å²	60	97.9 Å²	97.9	31%	0.314	56%	0.557	S	S	.	*	H	α-helix	trans	-112.9	11.3	179	-67.1	-170	0	0	0	114.2	I503 E504 P509 L510 K511	I503-L507 HydrophobicContact CG2-CB 4.47Å; I503-L507 HydrophobicContact CG2-CD1 3.38Å; I503-L507 HydrophobicContact CG2-CG 3.68Å; I503-L507 PolarHBondContact O-N 3.47Å; E504-L507 PolarHBondContact O-N 3.21Å; E504-L507 VanDerWaalsContact O-N 3.11Å; L507-P509 VanDerWaalsContact O-N 3.16Å; L507-L510 HydrophobicContact CD2-CB 4.49Å; L507-L510 HydrophobicContact CD2-CD1 4.1Å; L507-L510 CarbonylContact O-C 3.33Å; L507-L510 PolarHBondContact O-N 3.22Å; L507-K511 PolarHBondContact O-N 3Å
508	V	28.9	Very low	27.1	Very low	108 Å²	108	99.5 Å²	99.5	66%	0.655	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.4	-38.3	171	-171.1	0	0	0	0	113	E504 L510	E504-V508 WeakPolarHBondContact O-CG2 3.46Å; E504-V508 PolarHBondContact O-N 2.87Å; E504-V508 VanDerWaalsContact O-N 3.13Å; V508-L510 PolarHBondContact O-N 3.46Å
509	P	26.8	Very low	26.8	Very low	112 Å²	112	99.7 Å²	99.7	73%	0.727	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-5.5	175.5	-18.9	33.9	0	0	0	115.9	L507	L507-P509 VanDerWaalsContact O-N 3.16Å
510	L	24.3	Very low	26.5	Very low	97 Å²	97	101.9 Å²	101.9	51%	0.508	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-133.9	-3.8	-167.9	-67.2	175.7	0	0	0	115.3	L507 V508 L512	L507-L510 HydrophobicContact CD2-CB 4.49Å; L507-L510 HydrophobicContact CD2-CD1 4.1Å; L507-L510 CarbonylContact O-C 3.33Å; L507-L510 PolarHBondContact O-N 3.22Å; V508-L510 PolarHBondContact O-N 3.46Å; L510-L512 PolarHBondContact O-N 3.09Å
511	K	25.9	Very low	26.4	Very low	88 Å²	88	102.9 Å²	102.9	38%	0.383	61%	0.613	S	S	.	*			trans	-71.8	91.5	172.5	-97.3	-162.6	169	-168.6	0	111.1	E500 E504 L507 S513	E500-K511 WeakPolarHBondContact OE1-CE 3.45Å; E500-K511 IonicContact OE1-NZ 3.04Å; E500-K511 PolarHBondContact OE1-NZ 3.31Å; E500-K511 IonicContact OE2-NZ 3.27Å; E500-K511 PolarHBondContact OE2-NZ 3.11Å; E504-K511 IonicContact OE1-NZ 3.88Å; E504-K511 PolarHBondContact OE1-NZ 3.12Å; L507-K511 PolarHBondContact O-N 3Å; K511-S513 PolarHBondContact O-N 3.41Å
512	L	26	Very low	25.9	Very low	158 Å²	158	108.8 Å²	108.8	83%	0.827	65%	0.646	S	S	*	*			trans	-70.9	101.3	171.7	-78.4	157.2	0	0	0	111.5	L510	L510-L512 PolarHBondContact O-N 3.09Å
513	S	26.7	Very low	25.7	Very low	97 Å²	97	109.6 Å²	109.6	68%	0.678	66%	0.658	S	S	*	*			trans	32.6	96.3	155.7	62.3	0	0	0	0	118.9	K511 S515	K511-S513 PolarHBondContact O-N 3.41Å; S513-S515 PolarHBondContact O-N 3.28Å
514	D	25.3	Very low	25.4	Very low	155 Å²	155	112.9 Å²	112.9	83%	0.829	68%	0.681	S	S	*	*			trans	-68	123.2	156.4	-71.6	-60.3	0	0	0	110.3
515	S	24.6	Very low	25.5	Very low	122 Å²	122	113.9 Å²	113.9	85%	0.853	70%	0.697	S	S	*	*			trans	-114.4	70.6	-172.4	51	0	0	0	0	113.1	S513	S513-S515 PolarHBondContact O-N 3.28Å
516	A	25.6	Very low	25.2	Very low	99 Å²	99	117.7 Å²	117.7	82%	0.818	71%	0.706	S	S	*	*			trans	-142.2	129.8	164	0	0	0	0	0	109.4
517	S	24.4	Very low	25.1	Very low	113 Å²	113	119.6 Å²	119.6	79%	0.79	72%	0.716	S	S	*	*			cis	-147.4	137	3.6	53.8	0	0	0	0	110.8
518	L	21.8	Very low	25.2	Very low	175 Å²	175	121.9 Å²	121.9	92%	0.916	74%	0.737	S	S	*	*			trans	-161	96.7	166.5	-115.3	158.4	0	0	0	109.8	T520	L518-T520 PolarHBondContact O-N 2.94Å
519	S	22.8	Very low	25.1	Very low	111 Å²	111	119.7 Å²	119.7	78%	0.776	73%	0.727	S	S	*	*			trans	-84.1	102.3	-179.7	52.7	0	0	0	0	111.4
520	T	24.5	Very low	25.1	Very low	134 Å²	134	117.5 Å²	117.5	82%	0.822	71%	0.714	S	S	*	*			trans	-172.4	142.5	135.8	15.2	0	0	0	0	111.9	L518 I522	L518-T520 PolarHBondContact O-N 2.94Å; T520-I522 PolarHBondContact O-N 2.97Å
521	S	23.5	Very low	25.2	Very low	119 Å²	119	118.2 Å²	118.2	83%	0.832	72%	0.717	S	S	*	*			trans	-66.3	116.3	-176.3	49	0	0	0	0	114.5
522	I	23.5	Very low	25.2	Very low	165 Å²	165	117.9 Å²	117.9	85%	0.846	73%	0.726	S	S	*	*			trans	-134.7	144	155.6	-62.1	-175.1	0	0	0	108.6	T520	T520-I522 PolarHBondContact O-N 2.97Å
523	S	24.3	Very low	25.1	Very low	98 Å²	98	117 Å²	117	69%	0.685	72%	0.717	S	S	*	*			trans	-70.7	158.5	-164.6	-54.2	0	0	0	0	115.8	S525	S523-S525 VanDerWaalsContact C-N 3.3Å; S523-S525 PolarHBondContact O-N 3.27Å
524	T	25.5	Very low	25.1	Very low	125 Å²	125	119.9 Å²	119.9	77%	0.767	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-72.6	3.9	-162.2	42.7	0	0	0	0	117.6	F526	T524-F526 PolarHBondContact O-N 2.86Å
525	S	28.3	Very low	25	Very low	100 Å²	100	117.9 Å²	117.9	70%	0.699	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-77.3	-12.3	-171.2	58.6	0	0	0	0	115.8	S523	S523-S525 VanDerWaalsContact C-N 3.3Å; S523-S525 PolarHBondContact O-N 3.27Å
526	F	22.8	Very low	25.1	Very low	153 Å²	153	117.9 Å²	117.9	67%	0.671	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-97.4	-7.9	-174	-83.3	-80.5	0	0	0	115.7	T524 S528 S529	T524-F526 PolarHBondContact O-N 2.86Å; F526-S528 PolarHBondContact O-N 2.85Å; F526-S528 VanDerWaalsContact O-N 3.14Å; F526-S529 PolarHBondContact O-OG 3.26Å
527	L	24.8	Very low	25	Very low	122 Å²	122	117.2 Å²	117.2	64%	0.639	69%	0.685	S	S	*	*	H	α-helix	trans	-70.5	-12	-170.5	-69.4	172.9	0	0	0	115.1
528	S	29.8	Very low	24.9	Very low	108 Å²	108	116.5 Å²	116.5	76%	0.755	67%	0.672	S	S	*	*	H	α-helix	trans	-69.9	-36.2	178.7	-176	0	0	0	0	113.9	F526	F526-S528 PolarHBondContact O-N 2.85Å; F526-S528 VanDerWaalsContact O-N 3.14Å
529	S	25.9	Very low	25.1	Very low	62 Å²	62	115.3 Å²	115.3	43%	0.434	67%	0.666	S	S	.	*	H	α-helix	trans	-85	-36.3	-170.3	57.6	0	0	0	0	113.1	F526 I531 S532 Q533	F526-S529 PolarHBondContact O-OG 3.26Å; S529-I531 VanDerWaalsContact C-N 3.3Å; S529-I531 PolarHBondContact O-N 3.38Å; S529-S532 PolarHBondContact O-N 2.94Å; S529-Q533 PolarHBondContact O-N 3.36Å
530	S	26.1	Very low	25.1	Very low	66 Å²	66	114.5 Å²	114.5	46%	0.462	67%	0.667	S	S	.	*	H	α-helix	trans	-65.3	-30.2	-176.8	-52.6	0	0	0	0	113.7	Q533 K534	S530-Q533 PolarHBondContact O-N 3.23Å; S530-K534 PolarHBondContact O-N 2.79Å
531	I	26.2	Very low	25	Very low	113 Å²	113	114 Å²	114	58%	0.579	66%	0.658	S	S	*	*	H	α-helix	trans	-62	-47.1	175.9	-63.7	172.6	0	0	0	110	S529 Q533 L535	S529-I531 VanDerWaalsContact C-N 3.3Å; S529-I531 PolarHBondContact O-N 3.38Å; I531-Q533 VanDerWaalsContact C-N 3.32Å; I531-Q533 PolarHBondContact O-N 3.49Å; I531-L535 HydrophobicContact CG2-CD1 4.14Å; I531-L535 PolarHBondContact O-N 3.49Å
532	S	26.5	Very low	25	Very low	80 Å²	80	111.1 Å²	111.1	56%	0.559	65%	0.647	S	S	*	*	H	α-helix	trans	-67.8	-31.1	-178.8	-162.8	0	0	0	0	112.8	S529 I536	S529-S532 PolarHBondContact O-N 2.94Å; S532-I536 WeakPolarHBondContact O-CD1 3.21Å; S532-I536 WeakPolarHBondContact O-CG1 3.49Å
533	Q	25.1	Very low	25	Very low	139 Å²	139	107 Å²	107	65%	0.65	64%	0.638	S	S	*	*	H	α-helix	trans	-79	-40.3	178.1	-72.8	-173.9	-18.4	0	0	113.2	S529 S530 I531 L535 I536 S537	S529-Q533 PolarHBondContact O-N 3.36Å; S530-Q533 PolarHBondContact O-N 3.23Å; I531-Q533 VanDerWaalsContact C-N 3.32Å; I531-Q533 PolarHBondContact O-N 3.49Å; Q533-L535 VanDerWaalsContact C-N 3.27Å; Q533-L535 PolarHBondContact O-N 2.87Å; Q533-I536 WeakPolarHBondContact O-CB 3.46Å; Q533-I536 PolarHBondContact O-N 3.22Å; Q533-S537 PolarHBondContact O-N 3.33Å
534	K	25.4	Very low	25.1	Very low	159 Å²	159	110.4 Å²	110.4	69%	0.691	64%	0.636	S	S	*	*	H	α-helix	trans	-70.8	-20.9	175.9	-89.3	-172.6	172.6	-178.3	0	113.9	S530 I536	S530-K534 PolarHBondContact O-N 2.79Å; K534-I536 VanDerWaalsContact C-N 3.26Å
535	L	23.8	Very low	25	Very low	112 Å²	112	109.6 Å²	109.6	59%	0.586	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-12.6	168	-86.1	165.9	0	0	0	114	I531 Q533	I531-L535 HydrophobicContact CG2-CD1 4.14Å; I531-L535 PolarHBondContact O-N 3.49Å; Q533-L535 VanDerWaalsContact C-N 3.27Å; Q533-L535 PolarHBondContact O-N 2.87Å
536	I	26.1	Very low	24.8	Very low	122 Å²	122	107.1 Å²	107.1	63%	0.626	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-35.3	174.3	-66.5	165.7	0	0	0	110.6	S532 Q533 K534 L538	S532-I536 WeakPolarHBondContact O-CD1 3.21Å; S532-I536 WeakPolarHBondContact O-CG1 3.49Å; Q533-I536 WeakPolarHBondContact O-CB 3.46Å; Q533-I536 PolarHBondContact O-N 3.22Å; K534-I536 VanDerWaalsContact C-N 3.26Å; I536-L538 VanDerWaalsContact C-N 3.29Å; I536-L538 PolarHBondContact O-N 3.16Å
537	S	24.3	Very low	24.8	Very low	85 Å²	85	105.9 Å²	105.9	59%	0.594	60%	0.6	S	S	*	*	S	Bend	trans	-87.5	32.3	-175.3	71.6	0	0	0	0	114.9	Q533	Q533-S537 PolarHBondContact O-N 3.33Å
538	L	22.7	Very low	25	Very low	99 Å²	99	103.2 Å²	103.2	52%	0.518	59%	0.589	S	S	.	*			trans	-123.9	58.2	-172.4	-112.6	170	0	0	0	112.6	I536 A540 L541	I536-L538 VanDerWaalsContact C-N 3.29Å; I536-L538 PolarHBondContact O-N 3.16Å; L538-A540 HydrophobicContact CD2-CB 4Å; L538-A540 PolarHBondContact O-N 3.44Å; L538-L541 PolarHBondContact O-N 3.23Å
539	D	24.8	Very low	24.9	Very low	149 Å²	149	102.4 Å²	102.4	80%	0.797	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-59	-6.2	177	-67.4	-45.9	0	0	0	114.8	L541 G542	D539-L541 PolarHBondContact O-N 2.99Å; D539-G542 PolarHBondContact O-N 3.4Å
540	A	23.2	Very low	24.8	Very low	95 Å²	95	101.3 Å²	101.3	79%	0.785	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-61.4	-6.7	168.4	0	0	0	0	0	114.1	L538	L538-A540 HydrophobicContact CD2-CB 4Å; L538-A540 PolarHBondContact O-N 3.44Å
541	L	23.1	Very low	24.9	Very low	123 Å²	123	99.9 Å²	99.9	64%	0.644	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-92	9.1	169.1	-75	168.9	0	0	0	114.2	L538 D539	L538-L541 PolarHBondContact O-N 3.23Å; D539-L541 PolarHBondContact O-N 2.99Å
542	G	23.3	Very low	24.9	Very low	59 Å²	59	97 Å²	97	61%	0.608	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	144.6	179.4	0	0	0	0	0	114.3	D539	D539-G542 PolarHBondContact O-N 3.4Å
543	A	23.9	Very low	25.2	Very low	79 Å²	79	94 Å²	94	65%	0.653	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	22.6	-179.1	0	0	0	0	0	118.1	D545	A543-D545 PolarHBondContact O-N 2.7Å
544	W	25.1	Very low	25.3	Very low	168 Å²	168	88.4 Å²	88.4	64%	0.636	49%	0.494	S	S	*	.			trans	-80.3	37.9	151.3	-74.3	84.2	0	0	0	112.2	I546	W544-I546 HydrophobicContact CE3-CD1 3.76Å; W544-I546 HydrophobicContact CZ3-CD1 4.1Å; W544-I546 PolarHBondContact O-N 2.81Å
545	D	23	Very low	25.5	Very low	108 Å²	108	86.7 Å²	86.7	58%	0.578	48%	0.483	S	S	*	.			trans	-74.9	47	179.2	-97.1	-15.9	0	0	0	112.6	A543 K547 K1119	A543-D545 PolarHBondContact O-N 2.7Å; D545-K547 PolarHBondContact O-N 3.06Å; D545-K1119 PolarHBondContact O-NZ 3.12Å
546	I	25.6	Very low	25.9	Very low	48 Å²	48	84.8 Å²	84.8	25%	0.246	47%	0.468	C	S	.	.			trans	-72.3	105.9	176.5	-69.7	-177.9	0	0	0	107.6	W544 S550	W544-I546 HydrophobicContact CE3-CD1 3.76Å; W544-I546 HydrophobicContact CZ3-CD1 4.1Å; W544-I546 PolarHBondContact O-N 2.81Å; I546-S550 WeakPolarHBondContact CG2-OG 3.26Å
547	K	22.9	Very low	26.2	Very low	127 Å²	127	79.4 Å²	79.4	55%	0.552	44%	0.441	S	S	*	.			trans	-60.6	151.4	164.3	-108.8	-173	178.1	-168.6	0	108.3	D545 D549 S550	D545-K547 PolarHBondContact O-N 3.06Å; K547-D549 PolarHBondContact O-N 2.66Å; K547-S550 PolarHBondContact O-N 2.79Å
548	T	28.3	Very low	26.5	Very low	66 Å²	66	78 Å²	78	41%	0.405	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-21.5	-173.2	46.5	0	0	0	0	116.2	L634	T548-L634 HydrophobicContact CG2-CD2 3.43Å; T548-L634 VanDerWaalsContact CG2-CD2 3.43Å; T548-L634 HydrophobicContact CG2-CG 4.07Å
549	D	27.2	Very low	27	Very low	92 Å²	92	76.4 Å²	76.4	49%	0.492	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-0.2	-166.5	-42.3	-22.3	0	0	0	112.7	K547 I551	K547-D549 PolarHBondContact O-N 2.66Å; D549-I551 PolarHBondContact O-N 3.36Å
550	S	24.6	Very low	27.6	Very low	38 Å²	38	71.4 Å²	71.4	27%	0.266	40%	0.404	S	S	.	.			trans	-80.8	102.1	-178.5	131.9	0	0	0	0	111.9	I546 K547	I546-S550 WeakPolarHBondContact CG2-OG 3.26Å; K547-S550 PolarHBondContact O-N 2.79Å
551	I	27.5	Very low	28.3	Very low	37 Å²	37	68.6 Å²	68.6	19%	0.19	38%	0.375	C	S	.	.			trans	-68.3	129.5	176.4	-57	165.8	0	0	0	110.4	D549 E553 A800 P804 M1109	D549-I551 PolarHBondContact O-N 3.36Å; I551-E553 PolarHBondContact O-N 3.21Å; I551-A800 VanDerWaalsContact CD1-O 3.23Å; I551-A800 WeakPolarHBondContact CD1-O 3.42Å; I551-P804 HydrophobicContact CD1-CB 3.76Å; I551-P804 HydrophobicContact CD1-CG 3.76Å; I551-M1109 HydrophobicContact CB-CE 4.2Å
552	L	27.5	Very low	28.9	Very low	51 Å²	51	65.9 Å²	65.9	27%	0.267	37%	0.367	S	S	.	.			trans	-85.8	107.1	-177.8	-163.1	80	0	0	0	110.5	R556 W645	L552-R556 VanDerWaalsContact CD1-CD 3.41Å; L552-R556 VanDerWaalsContact CD1-NH1 3.32Å; L552-R556 HydrophobicContact CG-CB 4.27Å; L552-W645 HydrophobicContact CB-CH2 4.17Å; L552-W645 HydrophobicContact CB-CZ2 3.57Å; L552-W645 HydrophobicContact CD2-CH2 3.56Å; L552-W645 HydrophobicContact CD2-CZ2 3.65Å; L552-W645 HydrophobicContact CD2-CZ3 4.49Å; L552-W645 HydrophobicContact CG-CH2 4.43Å; L552-W645 HydrophobicContact CG-CZ2 4.07Å; L552-W645 PolarHBondContact O-NE1 2.82Å
553	E	32.2	Very low	29.4	Very low	17 Å²	17	66.8 Å²	66.8	8%	0.079	36%	0.357	C	S	.	.			trans	-66.9	150.4	-167.9	-63.8	-179.4	121.7	0	0	115.4	I551 W555 R556 C1104 M1109	I551-E553 PolarHBondContact O-N 3.21Å; E553-W555 VanDerWaalsContact C-N 3.3Å; E553-W555 PolarHBondContact O-N 2.97Å; E553-W555 VanDerWaalsContact O-N 3.11Å; E553-W555 PolarHBondContact OE2-NE1 3.13Å; E553-R556 WeakPolarHBondContact O-CA 3.39Å; E553-R556 WeakPolarHBondContact O-CB 3.17Å; E553-R556 PolarHBondContact O-N 3.25Å; E553-C1104 PolarHBondContact OE1-SG 3.25Å; E553-M1109 HydrophobicContact CG-CE 3.61Å
554	P	26.4	Very low	30.2	Very low	23 Å²	23	63.3 Å²	63.3	15%	0.149	33%	0.328	C	S	.	.	H	α-helix	trans	-60.6	-22.6	-174.9	-28.6	36.7	0	0	0	117	R556 S557 A558 L1103	P554-R556 PolarHBondContact O-N 3.3Å; P554-S557 WeakPolarHBondContact O-CA 3.43Å; P554-S557 VanDerWaalsContact O-CB 3.3Å; P554-S557 WeakPolarHBondContact O-CB 3.41Å; P554-S557 PolarHBondContact O-N 3.46Å; P554-S557 PolarHBondContact O-OG 3.23Å; P554-A558 PolarHBondContact O-N 3.34Å; P554-L1103 HydrophobicContact CG-CD1 3.4Å
555	W	30.1	Very low	30.7	Very low	122 Å²	122	60.2 Å²	60.2	46%	0.462	32%	0.323	S	S	.	.	H	α-helix	trans	-67.7	-21.6	171.8	66.3	-89.1	0	0	0	112.1	E553 S557 A558 C559	E553-W555 VanDerWaalsContact C-N 3.3Å; E553-W555 PolarHBondContact O-N 2.97Å; E553-W555 VanDerWaalsContact O-N 3.11Å; E553-W555 PolarHBondContact OE2-NE1 3.13Å; W555-S557 VanDerWaalsContact C-N 3.34Å; W555-A558 PolarHBondContact O-N 3.28Å; W555-C559 PolarHBondContact O-N 2.93Å
556	R	31.8	Very low	31.3	Very low	73 Å²	73	60 Å²	60	28%	0.275	31%	0.314	S	S	.	.	H	α-helix	trans	-73.5	-25.1	166.5	-53.1	-176.8	-178.8	-159.5	7.4	112	L552 E553 P554 C559 L560	L552-R556 VanDerWaalsContact CD1-CD 3.41Å; L552-R556 VanDerWaalsContact CD1-NH1 3.32Å; L552-R556 HydrophobicContact CG-CB 4.27Å; E553-R556 WeakPolarHBondContact O-CA 3.39Å; E553-R556 WeakPolarHBondContact O-CB 3.17Å; E553-R556 PolarHBondContact O-N 3.25Å; P554-R556 PolarHBondContact O-N 3.3Å; R556-C559 WeakPolarHBondContact O-CB 3.15Å; R556-C559 PolarHBondContact O-N 3.18Å; R556-L560 PolarHBondContact O-N 3.29Å
557	S	32.1	Very low	31.8	Very low	8 Å²	8	59.2 Å²	59.2	6%	0.056	31%	0.314	C	S	.	.	H	α-helix	trans	-71.1	-36	167.3	84.3	0	0	0	0	112.3	P554 W555 C559 L560 L561	P554-S557 WeakPolarHBondContact O-CA 3.43Å; P554-S557 VanDerWaalsContact O-CB 3.3Å; P554-S557 WeakPolarHBondContact O-CB 3.41Å; P554-S557 PolarHBondContact O-N 3.46Å; P554-S557 PolarHBondContact O-OG 3.23Å; W555-S557 VanDerWaalsContact C-N 3.34Å; S557-C559 VanDerWaalsContact C-N 3.32Å; S557-C559 PolarHBondContact O-N 3.38Å; S557-L560 PolarHBondContact O-N 2.92Å; S557-L561 WeakPolarHBondContact O-CB 3.23Å; S557-L561 PolarHBondContact O-N 3.35Å
558	A	32.1	Very low	32.5	Very low	56 Å²	56	54 Å²	54	46%	0.463	29%	0.292	S	S	.	.	H	α-helix	trans	-63.6	-38.3	169.4	0	0	0	0	0	111.7	P554 W555 S562	P554-A558 PolarHBondContact O-N 3.34Å; W555-A558 PolarHBondContact O-N 3.28Å; A558-S562 PolarHBondContact O-N 3.04Å; A558-S562 PolarHBondContact O-OG 2.95Å
559	C	33.3	Very low	32.8	Very low	65 Å²	65	52.6 Å²	52.6	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-60.5	-51.3	171.3	-166.1	0	0	0	0	111.4	W555 R556 S557 L561 S562 L563	W555-C559 PolarHBondContact O-N 2.93Å; R556-C559 WeakPolarHBondContact O-CB 3.15Å; R556-C559 PolarHBondContact O-N 3.18Å; S557-C559 VanDerWaalsContact C-N 3.32Å; S557-C559 PolarHBondContact O-N 3.38Å; C559-L561 PolarHBondContact O-N 3.27Å; C559-S562 PolarHBondContact O-N 3.08Å; C559-S562 VanDerWaalsContact O-N 3.16Å; C559-S562 PolarHBondContact O-OG 2.83Å; C559-L563 WeakPolarHBondContact O-CG 3.28Å; C559-L563 PolarHBondContact O-N 3.38Å
560	L	36.5	Very low	33	Very low	44 Å²	44	51.3 Å²	51.3	23%	0.23	28%	0.283	C	S	.	.	H	α-helix	trans	-65.2	-35.4	179.3	-156.5	151.9	0	0	0	112.7	R556 S557 L563 L564 F649	R556-L560 PolarHBondContact O-N 3.29Å; S557-L560 PolarHBondContact O-N 2.92Å; L560-L563 WeakPolarHBondContact O-CB 3.4Å; L560-L563 PolarHBondContact O-N 2.99Å; L560-L564 HydrophobicContact CD2-CD1 3.67Å; L560-L564 HydrophobicContact CD2-CG 3.93Å; L560-L564 WeakPolarHBondContact O-CB 3.48Å; L560-L564 WeakPolarHBondContact O-CG 3.33Å; L560-L564 PolarHBondContact O-N 3.19Å; L560-F649 HydrophobicContact CB-CE2 4.4Å; L560-F649 HydrophobicContact CB-CZ 3.95Å; L560-F649 HydrophobicContact CD1-CE2 4.41Å; L560-F649 HydrophobicContact CD1-CZ 3.87Å; L560-F649 HydrophobicContact CD2-CE1 4.39Å; L560-F649 HydrophobicContact CD2-CZ 3.9Å; L560-F649 HydrophobicContact CG-CZ 4.1Å
561	L	37.5	Very low	33.4	Very low	36 Å²	36	53 Å²	53	19%	0.188	29%	0.292	C	S	.	.	H	α-helix	trans	-58.8	-47	170.2	168.2	60.4	0	0	0	111.5	S557 C559 L563 L564 I565 L653 L657	S557-L561 WeakPolarHBondContact O-CB 3.23Å; S557-L561 PolarHBondContact O-N 3.35Å; C559-L561 PolarHBondContact O-N 3.27Å; L561-L563 VanDerWaalsContact C-N 3.34Å; L561-L563 PolarHBondContact O-N 3.26Å; L561-L564 PolarHBondContact O-N 3.3Å; L561-I565 HydrophobicContact CD1-CD1 3.72Å; L561-I565 HydrophobicContact CD1-CG1 4.18Å; L561-I565 HydrophobicContact CG-CD1 4.05Å; L561-I565 WeakPolarHBondContact O-CG1 3.38Å; L561-I565 PolarHBondContact O-N 3.35Å; L561-L653 HydrophobicContact CB-CD1 3.94Å; L561-L653 HydrophobicContact CD1-CD1 3.72Å; L561-L653 HydrophobicContact CG-CD1 4.25Å; L561-L657 HydrophobicContact CD1-CD2 3.87Å; L561-L657 HydrophobicContact CD1-CG 4.49Å
562	S	35.4	Very low	33.8	Very low	67 Å²	67	54.9 Å²	54.9	47%	0.469	30%	0.299	S	S	.	.	H	α-helix	trans	-67.5	-32.6	175.9	68.1	0	0	0	0	113.2	A558 C559 R566	A558-S562 PolarHBondContact O-N 3.04Å; A558-S562 PolarHBondContact O-OG 2.95Å; C559-S562 PolarHBondContact O-N 3.08Å; C559-S562 VanDerWaalsContact O-N 3.16Å; C559-S562 PolarHBondContact O-OG 2.83Å; S562-R566 VanDerWaalsContact O-CB 3.25Å; S562-R566 WeakPolarHBondContact O-CB 3.39Å; S562-R566 PolarHBondContact O-N 2.98Å
563	L	35	Very low	33.9	Very low	77 Å²	77	57.7 Å²	57.7	40%	0.403	31%	0.313	S	S	.	.	H	α-helix	trans	-66.4	-42.5	171.4	-73.7	167.4	0	0	0	111.8	C559 L560 L561 R566 A567	C559-L563 WeakPolarHBondContact O-CG 3.28Å; C559-L563 PolarHBondContact O-N 3.38Å; L560-L563 WeakPolarHBondContact O-CB 3.4Å; L560-L563 PolarHBondContact O-N 2.99Å; L561-L563 VanDerWaalsContact C-N 3.34Å; L561-L563 PolarHBondContact O-N 3.26Å; L563-R566 PolarHBondContact O-N 3.14Å; L563-A567 WeakPolarHBondContact O-CB 3.39Å; L563-A567 PolarHBondContact O-N 3.49Å
564	L	39.3	Very low	33.8	Very low	7 Å²	7	64.5 Å²	64.5	4%	0.037	34%	0.338	C	S	.	.	H	α-helix	trans	-59.4	-54.9	173.8	-81.9	166.3	0	0	0	110.8	L560 L561 R566 A567 I568 L617 F618 I621 L653	L560-L564 HydrophobicContact CD2-CD1 3.67Å; L560-L564 HydrophobicContact CD2-CG 3.93Å; L560-L564 WeakPolarHBondContact O-CB 3.48Å; L560-L564 WeakPolarHBondContact O-CG 3.33Å; L560-L564 PolarHBondContact O-N 3.19Å; L561-L564 PolarHBondContact O-N 3.3Å; L564-R566 PolarHBondContact O-N 3.25Å; L564-A567 WeakPolarHBondContact O-CB 3.4Å; L564-A567 PolarHBondContact O-N 3.29Å; L564-I568 VanDerWaalsContact O-CD1 3.27Å; L564-I568 WeakPolarHBondContact O-CD1 3.49Å; L564-I568 WeakPolarHBondContact O-CG1 3.24Å; L564-I568 PolarHBondContact O-N 3.41Å; L564-L617 HydrophobicContact CD2-CD2 4.09Å; L564-F618 HydrophobicContact CD1-CE1 4.07Å; L564-F618 HydrophobicContact CD1-CE2 4.33Å; L564-F618 HydrophobicContact CD1-CZ 3.59Å; L564-F618 HydrophobicContact CD2-CD2 4.37Å; L564-F618 HydrophobicContact CD2-CE2 3.75Å; L564-F618 HydrophobicContact CD2-CZ 3.83Å; L564-F618 HydrophobicContact CG-CZ 4.37Å; L564-I621 HydrophobicContact CD2-CD1 4.06Å; L564-L653 HydrophobicContact CD1-CD2 4.08Å
565	I	37.1	Very low	34.1	Very low	103 Å²	103	67.2 Å²	67.2	53%	0.528	35%	0.351	S	S	.	.	H	α-helix	trans	-54.2	-43.2	178.1	-68.7	166.1	0	0	0	110.8	L561 I568 G569	L561-I565 HydrophobicContact CD1-CD1 3.72Å; L561-I565 HydrophobicContact CD1-CG1 4.18Å; L561-I565 HydrophobicContact CG-CD1 4.05Å; L561-I565 WeakPolarHBondContact O-CG1 3.38Å; L561-I565 PolarHBondContact O-N 3.35Å; I565-I568 PolarHBondContact O-N 3.5Å; I565-G569 PolarHBondContact O-N 3.2Å; I565-G569 VanDerWaalsContact O-N 3.11Å
566	R	34.5	Very low	34.2	Very low	104 Å²	104	65.9 Å²	65.9	39%	0.392	35%	0.353	S	S	.	.	H	α-helix	trans	-67.3	-38.2	177.3	-173.2	170.5	177.9	176.9	-6.2	112.7	I502 S562 L563 L564 L570	I502-R566 PolarHBondContact O-NH2 2.86Å; I502-R566 VanDerWaalsContact O-NH2 3.1Å; S562-R566 VanDerWaalsContact O-CB 3.25Å; S562-R566 WeakPolarHBondContact O-CB 3.39Å; S562-R566 PolarHBondContact O-N 2.98Å; L563-R566 PolarHBondContact O-N 3.14Å; L564-R566 PolarHBondContact O-N 3.25Å; R566-L570 HydrophobicContact CG-CD1 4.23Å; R566-L570 VanDerWaalsContact O-CG 3.28Å; R566-L570 WeakPolarHBondContact O-CG 3.45Å; R566-L570 PolarHBondContact O-N 3.15Å; R566-L570 VanDerWaalsContact O-N 3.1Å
567	A	36	Very low	34.3	Very low	30 Å²	30	68.1 Å²	68.1	25%	0.248	37%	0.371	C	S	.	.	H	α-helix	trans	-64.8	-43.3	175.9	0	0	0	0	0	111.8	L563 L564 L570 T571 L617	L563-A567 WeakPolarHBondContact O-CB 3.39Å; L563-A567 PolarHBondContact O-N 3.49Å; L564-A567 WeakPolarHBondContact O-CB 3.4Å; L564-A567 PolarHBondContact O-N 3.29Å; A567-L570 PolarHBondContact O-N 3.47Å; A567-T571 PolarHBondContact O-N 2.84Å; A567-T571 PolarHBondContact O-OG1 3.14Å; A567-L617 HydrophobicContact CB-CD2 4.01Å
568	I	37.7	Very low	34.1	Very low	19 Å²	19	71.9 Å²	71.9	10%	0.097	39%	0.394	C	S	.	.	H	α-helix	trans	-61.6	-48.7	178	-64.5	150.3	0	0	0	110.5	L564 I565 L570 T571 K572 I614 I725	L564-I568 VanDerWaalsContact O-CD1 3.27Å; L564-I568 WeakPolarHBondContact O-CD1 3.49Å; L564-I568 WeakPolarHBondContact O-CG1 3.24Å; L564-I568 PolarHBondContact O-N 3.41Å; I565-I568 PolarHBondContact O-N 3.5Å; I568-L570 VanDerWaalsContact C-N 3.29Å; I568-L570 PolarHBondContact O-N 2.68Å; I568-T571 PolarHBondContact O-N 2.91Å; I568-T571 PolarHBondContact O-OG1 3.06Å; I568-K572 PolarHBondContact O-N 3.11Å; I568-K572 VanDerWaalsContact O-N 3.11Å; I568-I614 HydrophobicContact CG1-CD1 4.34Å; I568-I614 HydrophobicContact CG2-CD1 4.45Å; I568-I725 HydrophobicContact CD1-CD1 3.23Å; I568-I725 HydrophobicContact CD1-CG1 4.19Å; I568-I725 HydrophobicContact CG1-CD1 4.36Å
569	G	34.2	Very low	33.9	Very low	35 Å²	35	74.6 Å²	74.6	36%	0.361	40%	0.401	S	S	.	.	H	α-helix	trans	-57.1	-39.8	174.9	0	0	0	0	0	113.3	I565 K572 L573	I565-G569 PolarHBondContact O-N 3.2Å; I565-G569 VanDerWaalsContact O-N 3.11Å; G569-K572 PolarHBondContact O-N 3.43Å; G569-L573 WeakPolarHBondContact O-CG 3.37Å; G569-L573 PolarHBondContact O-N 3.3Å; G569-L573 VanDerWaalsContact O-N 3.12Å
570	L	32.4	Very low	33.6	Very low	66 Å²	66	77.9 Å²	77.9	35%	0.346	41%	0.412	S	S	.	.	H	α-helix	trans	-68.9	-39.1	176.5	-73.7	168.4	0	0	0	113.1	R566 A567 I568 K572 R574	R566-L570 HydrophobicContact CG-CD1 4.23Å; R566-L570 VanDerWaalsContact O-CG 3.28Å; R566-L570 WeakPolarHBondContact O-CG 3.45Å; R566-L570 PolarHBondContact O-N 3.15Å; R566-L570 VanDerWaalsContact O-N 3.1Å; A567-L570 PolarHBondContact O-N 3.47Å; I568-L570 VanDerWaalsContact C-N 3.29Å; I568-L570 PolarHBondContact O-N 2.68Å; L570-K572 VanDerWaalsContact C-N 3.32Å; L570-K572 PolarHBondContact O-N 3.48Å; L570-R574 PolarHBondContact O-N 3.38Å; L570-R574 VanDerWaalsContact O-N 3.08Å
571	T	33.9	Very low	33	Very low	72 Å²	72	81.7 Å²	81.7	44%	0.442	44%	0.438	S	S	.	.	H	α-helix	trans	-64.5	-37.4	175.8	55	0	0	0	0	112.2	A567 I568 R574 N575	A567-T571 PolarHBondContact O-N 2.84Å; A567-T571 PolarHBondContact O-OG1 3.14Å; I568-T571 PolarHBondContact O-N 2.91Å; I568-T571 PolarHBondContact O-OG1 3.06Å; T571-R574 PolarHBondContact O-N 2.68Å; T571-N575 PolarHBondContact O-N 3.27Å
572	K	34.3	Very low	32.4	Very low	78 Å²	78	86.3 Å²	86.3	34%	0.339	47%	0.467	S	S	.	.	H	α-helix	trans	-67.7	-49.2	178.5	-159.4	155.4	-176.8	157.6	0	111.9	I568 G569 L570 R574 N575 D576 E721	I568-K572 PolarHBondContact O-N 3.11Å; I568-K572 VanDerWaalsContact O-N 3.11Å; G569-K572 PolarHBondContact O-N 3.43Å; L570-K572 VanDerWaalsContact C-N 3.32Å; L570-K572 PolarHBondContact O-N 3.48Å; K572-R574 PolarHBondContact O-N 3.13Å; K572-N575 PolarHBondContact O-N 3.47Å; K572-D576 PolarHBondContact O-N 2.84Å; K572-E721 IonicContact NZ-OE1 2.76Å; K572-E721 PolarHBondContact NZ-OE1 3.06Å; K572-E721 IonicContact NZ-OE2 3.39Å; K572-E721 PolarHBondContact NZ-OE2 3.23Å
573	L	31.2	Very low	31.7	Very low	110 Å²	110	94.1 Å²	94.1	58%	0.576	49%	0.488	S	S	*	.	H	α-helix	trans	-56.7	-30.6	172.2	-76.1	167.7	0	0	0	113.4	G569 N577	G569-L573 WeakPolarHBondContact O-CG 3.37Å; G569-L573 PolarHBondContact O-N 3.3Å; G569-L573 VanDerWaalsContact O-N 3.12Å; L573-N577 PolarHBondContact O-ND2 3Å
574	R	29.2	Very low	31.1	Very low	159 Å²	159	95.3 Å²	95.3	60%	0.6	50%	0.503	S	S	*	.	H	α-helix	trans	-74.1	-43.8	174.2	-166.1	179.6	-170.4	179.7	5.4	112	L570 T571 K572 T578	L570-R574 PolarHBondContact O-N 3.38Å; L570-R574 VanDerWaalsContact O-N 3.08Å; T571-R574 PolarHBondContact O-N 2.68Å; K572-R574 PolarHBondContact O-N 3.13Å; R574-T578 WeakPolarHBondContact O-CG2 3.34Å
575	N	33.1	Very low	30.4	Very low	80 Å²	80	101.6 Å²	101.6	43%	0.428	54%	0.542	S	S	.	.	H	α-helix	trans	-65	-48.6	-179	-73.5	-12.5	0	0	0	111.9	T571 K572 N577 T578	T571-N575 PolarHBondContact O-N 3.27Å; K572-N575 PolarHBondContact O-N 3.47Å; N575-N577 VanDerWaalsContact C-N 3.28Å; N575-N577 PolarHBondContact O-N 3.32Å; N575-T578 PolarHBondContact O-N 2.87Å; N575-T578 PolarHBondContact O-OG1 3.17Å
576	D	32.8	Very low	29.7	Very low	94 Å²	94	103.6 Å²	103.6	50%	0.503	55%	0.552	S	S	.	*	H	α-helix	trans	-59.2	-39.9	-175.9	-66.7	-24.3	0	0	0	112	K572 T578 N579	K572-D576 PolarHBondContact O-N 2.84Å; D576-T578 PolarHBondContact O-N 2.76Å; D576-N579 PolarHBondContact O-N 3.3Å
577	N	31.9	Very low	29.1	Very low	120 Å²	120	104.5 Å²	104.5	64%	0.642	57%	0.569	S	S	*	*	H	α-helix	trans	-66.9	-18.3	176.4	-78.6	-47.7	0	0	0	114.2	L573 N575	L573-N577 PolarHBondContact O-ND2 3Å; N575-N577 VanDerWaalsContact C-N 3.28Å; N575-N577 PolarHBondContact O-N 3.32Å
578	T	29.5	Very low	28.3	Very low	88 Å²	88	110.7 Å²	110.7	54%	0.54	59%	0.593	S	S	.	*	H	α-helix	trans	-88	-14.8	-179.4	60.6	0	0	0	0	114.9	R574 N575 D576	R574-T578 WeakPolarHBondContact O-CG2 3.34Å; N575-T578 PolarHBondContact O-N 2.87Å; N575-T578 PolarHBondContact O-OG1 3.17Å; D576-T578 PolarHBondContact O-N 2.76Å
579	N	27.9	Very low	27.5	Very low	113 Å²	113	117.6 Å²	117.6	60%	0.604	62%	0.624	S	S	*	*	S	Bend	trans	-93.5	-7.7	179.9	-75.3	-27.2	0	0	0	113.7	D576 T581	D576-N579 PolarHBondContact O-N 3.3Å; N579-T581 PolarHBondContact O-N 2.82Å
580	I	25.7	Very low	27	Very low	133 Å²	133	121.7 Å²	121.7	68%	0.682	65%	0.648	S	S	*	*	S	Bend	trans	-93.8	63.1	179.9	-46.5	178.2	0	0	0	110.9
581	T	25.4	Very low	26.4	Very low	125 Å²	125	126 Å²	126	77%	0.767	67%	0.671	S	S	*	*	S	Bend	trans	-169.8	52.3	160.4	10	0	0	0	0	114.3	N579	N579-T581 PolarHBondContact O-N 2.82Å
582	T	23.3	Very low	26	Very low	132 Å²	132	130.2 Å²	130.2	81%	0.81	69%	0.691	S	S	*	*			trans	-157.1	60.9	164.9	-7.3	0	0	0	0	115.1
583	Y	22.1	Very low	25.4	Very low	231 Å²	231	133.9 Å²	133.9	91%	0.906	71%	0.714	S	S	*	*			trans	-121.3	113.1	159.6	-87.7	-78.9	0	0	0	111	V585	Y583-V585 PolarHBondContact O-N 2.72Å
584	S	22.4	Very low	25	Very low	103 Å²	103	136.3 Å²	136.3	72%	0.72	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-71.2	118.6	178.9	50.8	0	0	0	0	110.8	I586	S584-I586 PolarHBondContact O-N 3.27Å
585	V	24.5	Very low	24.7	Very low	139 Å²	139	134.4 Å²	134.4	84%	0.842	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-66.7	116.7	166.9	178.1	0	0	0	0	108.2	Y583	Y583-V585 PolarHBondContact O-N 2.72Å
586	I	21.4	Very low	24.1	Very low	144 Å²	144	140.3 Å²	140.3	74%	0.738	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-74.8	133.5	175.7	-64.2	175.6	0	0	0	108.9	S584	S584-I586 PolarHBondContact O-N 3.27Å
587	T	22.4	Very low	23.7	Very low	124 Å²	124	143.5 Å²	143.5	76%	0.761	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-73.1	143.2	-176.8	51	0	0	0	0	113
588	H	20.1	Very low	23.1	Very low	160 Å²	160	141.3 Å²	141.3	74%	0.741	78%	0.776	S	S	*	*			trans	-118.8	138.2	150.7	-98.7	-98.3	0	0	0	110
589	E	20.9	Very low	22.8	Very low	164 Å²	164	145.4 Å²	145.4	77%	0.766	79%	0.791	S	S	*	*			trans	37.2	112.6	160.4	-67.4	142.5	-114.2	0	0	117.9
590	S	22.3	Very low	22.5	Very low	121 Å²	121	147.5 Å²	147.5	85%	0.846	80%	0.803	S	S	*	*				-168.8	167.9	70	38	0	0	0	0	112.8
591	N	21.3	Very low	22.4	Very low	155 Å²	155	146.9 Å²	146.9	83%	0.829	81%	0.805	S	S	*	*			trans	-64.4	131.9	-172.1	-66	-45.9	0	0	0	114
592	N	24.1	Very low	22.3	Very low	162 Å²	162	149.9 Å²	149.9	87%	0.866	81%	0.807	S	S	*	*				-161.6	143.2	119.2	-100.4	-40.1	0	0	0	112.2
593	N	22.1	Very low	22.3	Very low	154 Å²	154	151 Å²	151	82%	0.824	81%	0.808	S	S	*	*			trans	-77.8	141.3	177.4	-64.4	-64.1	0	0	0	111
594	I	23.3	Very low	22.3	Very low	162 Å²	162	145.9 Å²	145.9	83%	0.831	81%	0.806	S	S	*	*			trans	-165.8	124.4	134	-100.9	149.7	0	0	0	111.1
595	V	22.9	Very low	22.4	Very low	119 Å²	119	144.3 Å²	144.3	72%	0.721	81%	0.806	S	S	*	*			trans	35.1	114.4	154.3	-171.8	0	0	0	0	119.6
596	K	20.6	Very low	22.3	Very low	204 Å²	204	142.5 Å²	142.5	89%	0.887	80%	0.8	S	S	*	*			trans	-62.4	131.5	160	-58.7	171.2	-178.6	174.9	0	110.7
597	N	23.7	Very low	22.4	Very low	161 Å²	161	141.8 Å²	141.8	86%	0.861	80%	0.797	S	S	*	*			trans	-143.6	121.6	152.9	-99.1	-29	0	0	0	108.4
598	G	20.2	Very low	22.6	Very low	73 Å²	73	143.6 Å²	143.6	75%	0.753	80%	0.801	S	S	*	*			trans	-100.5	136.8	-175.1	0	0	0	0	0	112.3
599	M	21.9	Very low	22.8	Very low	175 Å²	175	141.8 Å²	141.8	86%	0.862	80%	0.796	S	S	*	*			trans	-135.6	91.1	171.4	-146	68.9	168.5	0	0	109.2	T601	M599-T601 PolarHBondContact O-N 2.83Å
600	N	21.8	Very low	23.1	Very low	157 Å²	157	142.6 Å²	142.6	84%	0.84	79%	0.792	S	S	*	*			trans	-78.7	81.3	-175.8	-90	-34.8	0	0	0	112	K602	N600-K602 PolarHBondContact O-N 3.49Å
601	T	23.5	Very low	23.5	Very low	120 Å²	120	141.5 Å²	141.5	74%	0.736	78%	0.784	S	S	*	*			trans	-86.4	82.7	169.6	49.6	0	0	0	0	111	M599 N603	M599-T601 PolarHBondContact O-N 2.83Å; T601-N603 PolarHBondContact O-N 3.23Å
602	K	23.7	Very low	24.4	Very low	188 Å²	188	140.2 Å²	140.2	82%	0.817	78%	0.778	S	S	*	*			trans	-70	89.9	173.5	-71.7	-175.8	176	-178.7	0	111	N600 S604	N600-K602 PolarHBondContact O-N 3.49Å; K602-S604 PolarHBondContact O-N 3.48Å
603	N	23.3	Very low	25.6	Very low	155 Å²	155	134.8 Å²	134.8	83%	0.829	75%	0.752	S	S	*	*			trans	-71.1	91.5	170.8	-82	-1.6	0	0	0	111	T601 G605	T601-N603 PolarHBondContact O-N 3.23Å; N603-G605 PolarHBondContact O-N 2.85Å; N603-G605 VanDerWaalsContact O-N 3.07Å
604	S	22.3	Very low	26.7	Very low	123 Å²	123	129 Å²	129	86%	0.86	72%	0.721	S	S	*	*			trans	-74.5	88.5	174.7	54.1	0	0	0	0	111.4	K602	K602-S604 PolarHBondContact O-N 3.48Å
605	G	23.8	Very low	28.2	Very low	70 Å²	70	125.5 Å²	125.5	72%	0.722	70%	0.701	S	S	*	*			trans	-141.9	-11.5	-179.8	0	0	0	0	0	117.2	N603	N603-G605 PolarHBondContact O-N 2.85Å; N603-G605 VanDerWaalsContact O-N 3.07Å
606	S	22	Very low	29.7	Very low	101 Å²	101	122.4 Å²	122.4	71%	0.706	68%	0.681	S	S	*	*	S	Bend	trans	-92.3	-10.2	-166.1	53.2	0	0	0	0	116.8
607	N	24.2	Very low	30.9	Very low	129 Å²	129	114.8 Å²	114.8	69%	0.69	65%	0.649	S	S	*	*	S	Bend	trans	-104.2	1.7	-158.7	-72.2	15.9	0	0	0	116.3
608	I	27.5	Very low	32.2	Very low	162 Å²	162	107.2 Å²	107.2	83%	0.831	61%	0.609	S	S	*	*	S	Bend	trans	-88.8	-8.4	-174.8	-64.8	176	0	0	0	112.9
609	L	24	Very low	34.1	Very low	123 Å²	123	108.6 Å²	108.6	64%	0.644	59%	0.594	S	S	*	*			trans	-117.9	38.1	-174	-71.7	171.2	0	0	0	114.2
610	R	26.6	Very low	35.3	Very low	181 Å²	181	103.9 Å²	103.9	68%	0.683	57%	0.57	S	S	*	*	S	Bend	trans	-96.9	133.1	163.6	-78.6	-175.8	167.2	177	-5.3	109.8
611	S	30.4	Very low	36.4	Very low	97 Å²	97	98.2 Å²	98.2	68%	0.678	54%	0.539	S	S	*	.			trans	47.3	87.3	171	58.2	0	0	0	0	117.2
612	N	39.7	Very low	37.8	Very low	129 Å²	129	94.1 Å²	94.1	69%	0.69	51%	0.514	S	S	*	.			trans	-77.6	125.1	133.8	-74	3.6	0	0	0	106.1
613	S	49.5	Very low	39.2	Very low	48 Å²	48	88 Å²	88	34%	0.336	50%	0.495	S	S	.	.			trans	-74.7	165.5	176.6	69	0	0	0	0	111.7	E615 D616 L617	S613-E615 PolarHBondContact O-N 3.23Å; S613-E615 PolarHBondContact OG-N 3.14Å; S613-D616 WeakPolarHBondContact CB-OD2 3.38Å; S613-D616 PolarHBondContact N-OD2 2.88Å; S613-D616 PolarHBondContact O-N 3.16Å; S613-D616 PolarHBondContact OG-N 2.95Å; S613-D616 PolarHBondContact OG-OD2 3.31Å; S613-L617 PolarHBondContact O-N 2.82Å
614	I	46.7	Very low	40.1	Very low	33 Å²	33	86 Å²	86	17%	0.169	48%	0.483	C	S	.	.	H	α-helix	trans	-59.7	-37.7	169.6	-65.6	176.9	0	0	0	109.8	I568 D616 L617 F618 I725 L728	I568-I614 HydrophobicContact CG1-CD1 4.34Å; I568-I614 HydrophobicContact CG2-CD1 4.45Å; I614-D616 VanDerWaalsContact C-N 3.34Å; I614-D616 PolarHBondContact O-N 2.91Å; I614-L617 WeakPolarHBondContact O-CB 3.37Å; I614-L617 PolarHBondContact O-N 2.77Å; I614-F618 HydrophobicContact CG2-CD2 3.98Å; I614-F618 HydrophobicContact CG2-CE2 4Å; I614-F618 WeakPolarHBondContact O-CD2 3.39Å; I614-F618 PolarHBondContact O-N 2.92Å; I614-F618 VanDerWaalsContact O-N 3.13Å; I614-I725 HydrophobicContact CD1-CG1 4.46Å; I614-I725 HydrophobicContact CG2-CG1 3.89Å; I614-L728 HydrophobicContact CG2-CD1 4.03Å
615	E	54.3	Low	41.3	Very low	88 Å²	88	82 Å²	82	41%	0.411	45%	0.452	S	S	.	.	H	α-helix	trans	-60.4	-40.1	175.3	-169.1	-175.7	154.7	0	0	112.2	S613 L617 F618 K619 L728	S613-E615 PolarHBondContact O-N 3.23Å; S613-E615 PolarHBondContact OG-N 3.14Å; E615-L617 VanDerWaalsContact C-N 3.33Å; E615-L617 PolarHBondContact O-N 3.26Å; E615-F618 PolarHBondContact O-N 3.11Å; E615-K619 VanDerWaalsContact CD-NZ 3.31Å; E615-K619 HydrophobicContact CG-CD 4.28Å; E615-K619 WeakPolarHBondContact O-CB 3.37Å; E615-K619 WeakPolarHBondContact O-CG 3.21Å; E615-K619 PolarHBondContact O-N 3.39Å; E615-K619 WeakPolarHBondContact OE1-CE 3.41Å; E615-K619 IonicContact OE1-NZ 3.75Å; E615-K619 PolarHBondContact OE1-NZ 2.91Å; E615-L728 HydrophobicContact CB-CD1 4.38Å; E615-L728 HydrophobicContact CB-CD2 4.15Å; E615-L728 HydrophobicContact CG-CD2 3.85Å
616	D	54	Low	42.7	Very low	54 Å²	54	80.5 Å²	80.5	29%	0.289	43%	0.43	S	S	.	.	H	α-helix	trans	-64.8	-35.9	176.5	-61.9	-50.7	0	0	0	112.4	S613 I614 K619 Q620	S613-D616 WeakPolarHBondContact CB-OD2 3.38Å; S613-D616 PolarHBondContact N-OD2 2.88Å; S613-D616 PolarHBondContact O-N 3.16Å; S613-D616 PolarHBondContact OG-N 2.95Å; S613-D616 PolarHBondContact OG-OD2 3.31Å; I614-D616 VanDerWaalsContact C-N 3.34Å; I614-D616 PolarHBondContact O-N 2.91Å; D616-K619 PolarHBondContact O-N 3.41Å; D616-Q620 WeakPolarHBondContact O-CB 3.38Å; D616-Q620 WeakPolarHBondContact O-CG 3.39Å; D616-Q620 PolarHBondContact O-N 3.21Å; D616-Q620 PolarHBondContact O-NE2 3.37Å
617	L	46.5	Very low	44	Very low	44 Å²	44	79.4 Å²	79.4	23%	0.23	42%	0.416	C	S	.	.	H	α-helix	trans	-64.8	-43.2	174.2	-171.2	71.2	0	0	0	111	L564 A567 S613 I614 E615 Q620 I621	L564-L617 HydrophobicContact CD2-CD2 4.09Å; A567-L617 HydrophobicContact CB-CD2 4.01Å; S613-L617 PolarHBondContact O-N 2.82Å; I614-L617 WeakPolarHBondContact O-CB 3.37Å; I614-L617 PolarHBondContact O-N 2.77Å; E615-L617 VanDerWaalsContact C-N 3.33Å; E615-L617 PolarHBondContact O-N 3.26Å; L617-Q620 PolarHBondContact O-N 3.28Å; L617-I621 HydrophobicContact CG-CD1 4.28Å; L617-I621 VanDerWaalsContact O-CG1 3.3Å; L617-I621 WeakPolarHBondContact O-CG1 3.38Å; L617-I621 PolarHBondContact O-N 3.26Å
618	F	51	Low	44.9	Very low	2 Å²	2	77.6 Å²	77.6	1%	0.009	40%	0.4	C	S	.	.	H	α-helix	trans	-66.2	-39.9	175.1	-88.9	-88.2	0	0	0	112.5	L564 I614 E615 I621 T622 F650 L653 I725 L732	L564-F618 HydrophobicContact CD1-CE1 4.07Å; L564-F618 HydrophobicContact CD1-CE2 4.33Å; L564-F618 HydrophobicContact CD1-CZ 3.59Å; L564-F618 HydrophobicContact CD2-CD2 4.37Å; L564-F618 HydrophobicContact CD2-CE2 3.75Å; L564-F618 HydrophobicContact CD2-CZ 3.83Å; L564-F618 HydrophobicContact CG-CZ 4.37Å; I614-F618 HydrophobicContact CG2-CD2 3.98Å; I614-F618 HydrophobicContact CG2-CE2 4Å; I614-F618 WeakPolarHBondContact O-CD2 3.39Å; I614-F618 PolarHBondContact O-N 2.92Å; I614-F618 VanDerWaalsContact O-N 3.13Å; E615-F618 PolarHBondContact O-N 3.11Å; F618-I621 PolarHBondContact O-N 3.2Å; F618-T622 WeakPolarHBondContact O-CB 3.34Å; F618-T622 PolarHBondContact O-N 2.86Å; F618-T622 PolarHBondContact O-OG1 3.01Å; F618-F650 HydrophobicContact CD1-CD1 4.48Å; F618-F650 AromaticContact CD1-CE1 3.74Å; F618-F650 HydrophobicContact CD1-CE1 3.74Å; F618-F650 HydrophobicContact CD1-CZ 4.44Å; F618-F650 HydrophobicContact CE1-CD1 4.21Å; F618-F650 AromaticContact CE1-CE1 3.77Å; F618-F650 HydrophobicContact CE1-CE1 3.77Å; F618-L653 HydrophobicContact CE1-CD2 4.11Å; F618-L653 HydrophobicContact CZ-CD2 4.31Å; F618-I725 HydrophobicContact CE2-CG2 3.94Å; F618-I725 HydrophobicContact CZ-CG2 3.75Å; F618-L732 HydrophobicContact CB-CD1 3.84Å; F618-L732 HydrophobicContact CD1-CD1 3.45Å; F618-L732 VanDerWaalsContact CD1-CD1 3.45Å; F618-L732 HydrophobicContact CE1-CD1 4.29Å; F618-L732 HydrophobicContact CG-CD1 3.94Å
619	K	58.6	Low	45.8	Very low	102 Å²	102	70.6 Å²	70.6	44%	0.443	36%	0.364	S	S	.	.	H	α-helix	trans	-61.3	-42.9	172.2	-75	169.1	179.8	161.1	0	111.4	E615 D616 T622 S623	E615-K619 VanDerWaalsContact CD-NZ 3.31Å; E615-K619 HydrophobicContact CG-CD 4.28Å; E615-K619 WeakPolarHBondContact O-CB 3.37Å; E615-K619 WeakPolarHBondContact O-CG 3.21Å; E615-K619 PolarHBondContact O-N 3.39Å; E615-K619 WeakPolarHBondContact OE1-CE 3.41Å; E615-K619 IonicContact OE1-NZ 3.75Å; E615-K619 PolarHBondContact OE1-NZ 2.91Å; D616-K619 PolarHBondContact O-N 3.41Å; K619-T622 PolarHBondContact O-N 3.22Å; K619-S623 VanDerWaalsContact O-CB 3.32Å; K619-S623 WeakPolarHBondContact O-CB 3.43Å; K619-S623 PolarHBondContact O-N 3.17Å
620	Q	47.4	Very low	47.1	Very low	76 Å²	76	70.7 Å²	70.7	36%	0.355	36%	0.359	S	S	.	.	H	α-helix	trans	-63.5	-46.6	175.6	-74.9	168.4	42	0	0	111.9	D616 L617 T622 S623 I624	D616-Q620 WeakPolarHBondContact O-CB 3.38Å; D616-Q620 WeakPolarHBondContact O-CG 3.39Å; D616-Q620 PolarHBondContact O-N 3.21Å; D616-Q620 PolarHBondContact O-NE2 3.37Å; L617-Q620 PolarHBondContact O-N 3.28Å; Q620-T622 VanDerWaalsContact C-N 3.32Å; Q620-T622 PolarHBondContact O-N 2.89Å; Q620-S623 PolarHBondContact O-N 3.4Å; Q620-I624 VanDerWaalsContact O-CG1 3.26Å; Q620-I624 WeakPolarHBondContact O-CG1 3.15Å; Q620-I624 PolarHBondContact O-N 2.76Å
621	I	46.1	Very low	47.8	Very low	37 Å²	37	71.6 Å²	71.6	19%	0.19	36%	0.363	C	S	.	.	H	α-helix	trans	-57.2	-46.9	174.5	-70.2	163.7	0	0	0	110.4	L564 L617 F618 S623 I624 L625	L564-I621 HydrophobicContact CD2-CD1 4.06Å; L617-I621 HydrophobicContact CG-CD1 4.28Å; L617-I621 VanDerWaalsContact O-CG1 3.3Å; L617-I621 WeakPolarHBondContact O-CG1 3.38Å; L617-I621 PolarHBondContact O-N 3.26Å; F618-I621 PolarHBondContact O-N 3.2Å; I621-S623 VanDerWaalsContact C-N 3.35Å; I621-S623 PolarHBondContact O-N 3.16Å; I621-I624 PolarHBondContact O-N 3.02Å; I621-L625 HydrophobicContact CG2-CD1 3.84Å; I621-L625 WeakPolarHBondContact O-CB 3.34Å; I621-L625 VanDerWaalsContact O-CG 3.29Å; I621-L625 WeakPolarHBondContact O-CG 3.11Å; I621-L625 PolarHBondContact O-N 2.91Å
622	T	52.3	Low	48.4	Very low	34 Å²	34	68.4 Å²	68.4	21%	0.209	34%	0.343	C	S	.	.	H	α-helix	trans	-63.7	-39.6	178.5	-54.7	0	0	0	0	111.7	F618 K619 Q620 L625 S626	F618-T622 WeakPolarHBondContact O-CB 3.34Å; F618-T622 PolarHBondContact O-N 2.86Å; F618-T622 PolarHBondContact O-OG1 3.01Å; K619-T622 PolarHBondContact O-N 3.22Å; Q620-T622 VanDerWaalsContact C-N 3.32Å; Q620-T622 PolarHBondContact O-N 2.89Å; T622-L625 PolarHBondContact O-N 3.21Å; T622-S626 WeakPolarHBondContact O-CB 3.42Å; T622-S626 PolarHBondContact O-N 3.47Å
623	S	52.4	Low	48.9	Very low	59 Å²	59	70.6 Å²	70.6	41%	0.413	35%	0.349	S	S	.	.	H	α-helix	trans	-67.4	-40	175.7	-175.4	0	0	0	0	112.5	K619 Q620 I621 S626 N627	K619-S623 VanDerWaalsContact O-CB 3.32Å; K619-S623 WeakPolarHBondContact O-CB 3.43Å; K619-S623 PolarHBondContact O-N 3.17Å; Q620-S623 PolarHBondContact O-N 3.4Å; I621-S623 VanDerWaalsContact C-N 3.35Å; I621-S623 PolarHBondContact O-N 3.16Å; S623-S626 PolarHBondContact O-N 3.05Å; S623-N627 VanDerWaalsContact O-CB 3.3Å; S623-N627 WeakPolarHBondContact O-CB 3.35Å; S623-N627 PolarHBondContact O-N 2.97Å; S623-N627 PolarHBondContact O-ND2 3.48Å
624	I	43.8	Very low	48.8	Very low	113 Å²	113	68.8 Å²	68.8	58%	0.579	34%	0.335	S	S	*	.	H	α-helix	trans	-63.5	-46	175.9	-70.1	162.3	0	0	0	109.6	Q620 I621 N627 Y628	Q620-I624 VanDerWaalsContact O-CG1 3.26Å; Q620-I624 WeakPolarHBondContact O-CG1 3.15Å; Q620-I624 PolarHBondContact O-N 2.76Å; I621-I624 PolarHBondContact O-N 3.02Å; I624-N627 PolarHBondContact O-N 3.31Å; I624-Y628 PolarHBondContact O-N 3.22Å
625	L	47	Very low	49.5	Very low	41 Å²	41	71.4 Å²	71.4	22%	0.215	35%	0.353	C	S	.	.	H	α-helix	trans	-65.7	-38.4	177.5	-69.5	171	0	0	0	112.5	I621 T622 Y628 Q629 F642 L646	I621-L625 HydrophobicContact CG2-CD1 3.84Å; I621-L625 WeakPolarHBondContact O-CB 3.34Å; I621-L625 VanDerWaalsContact O-CG 3.29Å; I621-L625 WeakPolarHBondContact O-CG 3.11Å; I621-L625 PolarHBondContact O-N 2.91Å; T622-L625 PolarHBondContact O-N 3.21Å; L625-Y628 PolarHBondContact O-N 3.01Å; L625-Q629 WeakPolarHBondContact O-CB 3.33Å; L625-Q629 PolarHBondContact O-N 3.13Å; L625-F642 HydrophobicContact CB-CE1 4.47Å; L625-F642 HydrophobicContact CB-CZ 4.09Å; L625-F642 HydrophobicContact CD2-CZ 4.34Å; L625-L646 HydrophobicContact CD1-CD1 3.73Å
626	S	52	Low	50	Low	38 Å²	38	73.6 Å²	73.6	27%	0.266	36%	0.363	S	S	.	.	H	α-helix	trans	-68.5	-36.8	173.1	-175.5	0	0	0	0	112.5	T622 S623 Q629 K630	T622-S626 WeakPolarHBondContact O-CB 3.42Å; T622-S626 PolarHBondContact O-N 3.47Å; S623-S626 PolarHBondContact O-N 3.05Å; S626-Q629 WeakPolarHBondContact O-CB 3.47Å; S626-Q629 PolarHBondContact O-N 3.49Å; S626-K630 WeakPolarHBondContact O-CG 3.48Å; S626-K630 PolarHBondContact O-N 3.09Å
627	N	49.1	Very low	50.3	Low	78 Å²	78	73.9 Å²	73.9	42%	0.417	37%	0.369	S	S	.	.	H	α-helix	trans	-71.3	-32.2	175.5	-70.4	-22.6	0	0	0	111.9	S623 I624 K630 R631	S623-N627 VanDerWaalsContact O-CB 3.3Å; S623-N627 WeakPolarHBondContact O-CB 3.35Å; S623-N627 PolarHBondContact O-N 2.97Å; S623-N627 PolarHBondContact O-ND2 3.48Å; I624-N627 PolarHBondContact O-N 3.31Å; N627-K630 PolarHBondContact O-N 3.34Å; N627-K630 PolarHBondContact OD1-NZ 3.45Å; N627-R631 WeakPolarHBondContact O-CB 3.34Å; N627-R631 PolarHBondContact O-N 2.95Å
628	Y	43.8	Very low	50.9	Low	90 Å²	90	72.3 Å²	72.3	35%	0.353	36%	0.364	S	S	.	.	H	α-helix	trans	-62.4	-47.1	165.7	-178.4	-94	0	0	0	111.3	I624 L625 K630 R631 A632	I624-Y628 PolarHBondContact O-N 3.22Å; L625-Y628 PolarHBondContact O-N 3.01Å; Y628-K630 PolarHBondContact O-N 3.39Å; Y628-R631 PolarHBondContact O-N 3.47Å; Y628-A632 HydrophobicContact CE1-CB 4.19Å; Y628-A632 WeakPolarHBondContact O-CB 3.12Å; Y628-A632 PolarHBondContact O-N 3.21Å
629	Q	46.1	Very low	51.5	Low	15 Å²	15	76.7 Å²	76.7	7%	0.07	38%	0.38	C	S	.	.	H	α-helix	trans	-57	-35.5	176.2	-168.3	-164.5	12.1	0	0	112.7	L625 S626 L634 R639 F642	L625-Q629 WeakPolarHBondContact O-CB 3.33Å; L625-Q629 PolarHBondContact O-N 3.13Å; S626-Q629 WeakPolarHBondContact O-CB 3.47Å; S626-Q629 PolarHBondContact O-N 3.49Å; Q629-L634 HydrophobicContact CB-CD1 4.37Å; Q629-L634 HydrophobicContact CG-CD1 3.81Å; Q629-R639 HydrophobicContact CG-CG 4.36Å; Q629-R639 PolarHBondContact NE2-O 2.86Å; Q629-R639 VanDerWaalsContact NE2-O 3.13Å; Q629-F642 HydrophobicContact CB-CD1 4Å; Q629-F642 HydrophobicContact CB-CE1 3.91Å; Q629-F642 HydrophobicContact CG-CD1 3.73Å; Q629-F642 HydrophobicContact CG-CE1 4.18Å; Q629-F642 HydrophobicContact CG-CG 4.36Å
630	K	51.5	Low	51.9	Low	125 Å²	125	73 Å²	73	54%	0.543	37%	0.365	S	S	.	.	H	α-helix	trans	-71.1	-42.3	173.4	-68.3	168.3	-164.3	163.8	0	112.6	S626 N627 Y628	S626-K630 WeakPolarHBondContact O-CG 3.48Å; S626-K630 PolarHBondContact O-N 3.09Å; N627-K630 PolarHBondContact O-N 3.34Å; N627-K630 PolarHBondContact OD1-NZ 3.45Å; Y628-K630 PolarHBondContact O-N 3.39Å
631	R	41.2	Very low	52.6	Low	200 Å²	200	70.8 Å²	70.8	76%	0.755	36%	0.357	S	S	*	.	H	α-helix	trans	-79.3	-24.9	-174.3	-167.9	175.4	-174.7	179.6	1.9	113.9	N627 Y628 E633	N627-R631 WeakPolarHBondContact O-CB 3.34Å; N627-R631 PolarHBondContact O-N 2.95Å; Y628-R631 PolarHBondContact O-N 3.47Å; R631-E633 PolarHBondContact O-N 3.49Å
632	A	43.4	Very low	53.2	Low	31 Å²	31	70.8 Å²	70.8	26%	0.256	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	12.6	-177.9	0	0	0	0	0	114.7	Y628 L634	Y628-A632 HydrophobicContact CE1-CB 4.19Å; Y628-A632 WeakPolarHBondContact O-CB 3.12Å; Y628-A632 PolarHBondContact O-N 3.21Å; A632-L634 HydrophobicContact CB-CD1 4.21Å; A632-L634 HydrophobicContact CB-CG 4.15Å; A632-L634 PolarHBondContact O-N 3.07Å
633	E	50.3	Low	54	Low	175 Å²	175	70.5 Å²	70.5	82%	0.818	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	30	-179.2	-63.5	-171.6	170	0	0	115	R631 T635	R631-E633 PolarHBondContact O-N 3.49Å; E633-T635 PolarHBondContact O-N 2.62Å
634	L	47.3	Very low	54.9	Low	10 Å²	10	67.7 Å²	67.7	5%	0.052	33%	0.332	C	S	.	.			trans	-55.8	132.1	-175.6	-79.5	157.2	0	0	0	111.5	T548 Q629 A632 R639	T548-L634 HydrophobicContact CG2-CD2 3.43Å; T548-L634 VanDerWaalsContact CG2-CD2 3.43Å; T548-L634 HydrophobicContact CG2-CG 4.07Å; Q629-L634 HydrophobicContact CB-CD1 4.37Å; Q629-L634 HydrophobicContact CG-CD1 3.81Å; A632-L634 HydrophobicContact CB-CD1 4.21Å; A632-L634 HydrophobicContact CB-CG 4.15Å; A632-L634 PolarHBondContact O-N 3.07Å; L634-R639 HydrophobicContact CB-CG 3.62Å; L634-R639 PolarHBondContact O-NE 3.4Å; L634-R639 PolarHBondContact O-NH2 2.99Å
635	T	60.6	Low	56	Low	87 Å²	87	63.7 Å²	63.7	53%	0.534	31%	0.31	S	S	.	.			trans	-56.3	158.5	164.7	56.6	0	0	0	0	110.8	E633 S637 G638 R639	E633-T635 PolarHBondContact O-N 2.62Å; T635-S637 VanDerWaalsContact C-N 3.28Å; T635-S637 PolarHBondContact O-N 2.71Å; T635-S637 PolarHBondContact OG1-OG 2.82Å; T635-G638 CarbonylContact O-C 3.47Å; T635-G638 WeakPolarHBondContact O-CA 3.17Å; T635-G638 PolarHBondContact O-N 2.8Å; T635-G638 PolarHBondContact OG1-N 2.83Å; T635-R639 WeakPolarHBondContact O-CG 3.42Å; T635-R639 PolarHBondContact O-N 2.82Å
636	E	65	Low	56.8	Low	134 Å²	134	62.2 Å²	62.2	63%	0.626	30%	0.302	S	S	*	.	H	α-helix	trans	-54.3	-44	179.8	-171.1	-179.7	-169.6	0	0	112.2	R639 I640	E636-R639 WeakPolarHBondContact O-CB 3.39Å; E636-R639 PolarHBondContact O-N 2.72Å; E636-I640 HydrophobicContact CG-CD1 4.34Å; E636-I640 WeakPolarHBondContact O-CG1 3.34Å; E636-I640 PolarHBondContact O-N 3.22Å; E636-I640 VanDerWaalsContact O-N 3.07Å
637	S	61.3	Low	57.8	Low	60 Å²	60	60.4 Å²	60.4	42%	0.42	29%	0.289	S	S	.	.	H	α-helix	trans	-62.7	-41.5	173.3	53.6	0	0	0	0	112.7	T635 R639 I640 V641	T635-S637 VanDerWaalsContact C-N 3.28Å; T635-S637 PolarHBondContact O-N 2.71Å; T635-S637 PolarHBondContact OG1-OG 2.82Å; S637-R639 VanDerWaalsContact C-N 3.32Å; S637-R639 PolarHBondContact O-N 3.23Å; S637-I640 PolarHBondContact O-N 2.94Å; S637-V641 WeakPolarHBondContact O-CB 3.5Å; S637-V641 VanDerWaalsContact O-CG2 3.29Å; S637-V641 WeakPolarHBondContact O-CG2 3.23Å; S637-V641 PolarHBondContact O-N 3Å
638	G	59.4	Low	58.9	Low	12 Å²	12	57.5 Å²	57.5	12%	0.124	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-36.7	175.1	0	0	0	0	0	112.9	T635 F642	T635-G638 CarbonylContact O-C 3.47Å; T635-G638 WeakPolarHBondContact O-CA 3.17Å; T635-G638 PolarHBondContact O-N 2.8Å; T635-G638 PolarHBondContact OG1-N 2.83Å; G638-F642 WeakPolarHBondContact O-CB 3.4Å; G638-F642 PolarHBondContact O-N 2.95Å
639	R	63.2	Low	59.8	Low	93 Å²	93	53.9 Å²	53.9	35%	0.351	26%	0.26	S	S	.	.	H	α-helix	trans	-65.7	-41.7	174.9	-67.5	177.8	-169.3	-119.9	-8.2	111.7	Q629 L634 T635 E636 S637 Q643	Q629-R639 HydrophobicContact CG-CG 4.36Å; Q629-R639 PolarHBondContact NE2-O 2.86Å; Q629-R639 VanDerWaalsContact NE2-O 3.13Å; L634-R639 HydrophobicContact CB-CG 3.62Å; L634-R639 PolarHBondContact O-NE 3.4Å; L634-R639 PolarHBondContact O-NH2 2.99Å; T635-R639 WeakPolarHBondContact O-CG 3.42Å; T635-R639 PolarHBondContact O-N 2.82Å; E636-R639 WeakPolarHBondContact O-CB 3.39Å; E636-R639 PolarHBondContact O-N 2.72Å; S637-R639 VanDerWaalsContact C-N 3.32Å; S637-R639 PolarHBondContact O-N 3.23Å; R639-Q643 PolarHBondContact O-N 2.98Å; R639-Q643 VanDerWaalsContact O-N 3.16Å
640	I	67.5	Low	60.9	Low	25 Å²	25	53.2 Å²	53.2	13%	0.128	26%	0.257	C	S	.	.	H	α-helix	trans	-65.9	-47.2	176.8	-70.2	167.1	0	0	0	110.7	E636 S637 F642 Q643 F644 L740 C797	E636-I640 HydrophobicContact CG-CD1 4.34Å; E636-I640 WeakPolarHBondContact O-CG1 3.34Å; E636-I640 PolarHBondContact O-N 3.22Å; E636-I640 VanDerWaalsContact O-N 3.07Å; S637-I640 PolarHBondContact O-N 2.94Å; I640-F642 VanDerWaalsContact C-N 3.33Å; I640-F642 PolarHBondContact O-N 3.43Å; I640-Q643 PolarHBondContact O-N 2.71Å; I640-F644 HydrophobicContact CG2-CD2 3.63Å; I640-F644 HydrophobicContact CG2-CE2 3.35Å; I640-F644 HydrophobicContact CG2-CZ 4.36Å; I640-F644 WeakPolarHBondContact O-CD2 3.33Å; I640-F644 PolarHBondContact O-N 2.75Å; I640-L740 HydrophobicContact CB-CD2 4.37Å; I640-L740 HydrophobicContact CG1-CD2 4.26Å; I640-L740 HydrophobicContact CG2-CD2 4.09Å; I640-C797 HydrophobicContact CG2-CB 3.91Å
641	V	60.7	Low	61.8	Low	30 Å²	30	47.7 Å²	47.7	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-56.9	-45	175.4	167.3	0	0	0	0	111.6	S637 Q643 F644 W645 C797 A800 A801	S637-V641 WeakPolarHBondContact O-CB 3.5Å; S637-V641 VanDerWaalsContact O-CG2 3.29Å; S637-V641 WeakPolarHBondContact O-CG2 3.23Å; S637-V641 PolarHBondContact O-N 3Å; V641-Q643 PolarHBondContact O-N 3.18Å; V641-F644 PolarHBondContact O-N 3.25Å; V641-W645 WeakPolarHBondContact O-CB 3.33Å; V641-W645 PolarHBondContact O-N 2.91Å; V641-C797 HydrophobicContact CG2-CB 3.79Å; V641-A800 HydrophobicContact CG1-CB 4.45Å; V641-A800 HydrophobicContact CG2-CB 3.9Å; V641-A801 HydrophobicContact CG1-CB 4.1Å
642	F	59.6	Low	62.8	Low	36 Å²	36	38.6 Å²	38.6	16%	0.158	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-40.6	177.2	-178.1	-98.7	0	0	0	112.8	L625 Q629 G638 I640 W645 L646	L625-F642 HydrophobicContact CB-CE1 4.47Å; L625-F642 HydrophobicContact CB-CZ 4.09Å; L625-F642 HydrophobicContact CD2-CZ 4.34Å; Q629-F642 HydrophobicContact CB-CD1 4Å; Q629-F642 HydrophobicContact CB-CE1 3.91Å; Q629-F642 HydrophobicContact CG-CD1 3.73Å; Q629-F642 HydrophobicContact CG-CE1 4.18Å; Q629-F642 HydrophobicContact CG-CG 4.36Å; G638-F642 WeakPolarHBondContact O-CB 3.4Å; G638-F642 PolarHBondContact O-N 2.95Å; I640-F642 VanDerWaalsContact C-N 3.33Å; I640-F642 PolarHBondContact O-N 3.43Å; F642-W645 PolarHBondContact O-N 2.98Å; F642-L646 WeakPolarHBondContact O-CB 3.25Å; F642-L646 PolarHBondContact O-N 3.31Å
643	Q	68.8	Low	63.5	Low	28 Å²	28	37.2 Å²	37.2	13%	0.131	19%	0.187	C	C	.	.	H	α-helix	trans	-72.4	-38.3	178.5	-74.6	174.8	-14.6	0	0	112.5	R639 I640 V641 L646 S647 I736 L740	R639-Q643 PolarHBondContact O-N 2.98Å; R639-Q643 VanDerWaalsContact O-N 3.16Å; I640-Q643 PolarHBondContact O-N 2.71Å; V641-Q643 PolarHBondContact O-N 3.18Å; Q643-L646 PolarHBondContact O-N 2.93Å; Q643-S647 PolarHBondContact O-N 3.42Å; Q643-I736 HydrophobicContact CB-CG2 4.02Å; Q643-I736 VanDerWaalsContact O-CG2 3.28Å; Q643-I736 WeakPolarHBondContact O-CG2 3.12Å; Q643-L740 HydrophobicContact CB-CD1 3.7Å; Q643-L740 HydrophobicContact CB-CD2 3.93Å; Q643-L740 HydrophobicContact CB-CG 3.86Å
644	F	71.9	Confident	64.2	Low	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-44.3	171.6	-79.2	-52	0	0	0	111.6	I640 V641 L646 S647 L648 L740 C797 F798 A801 F802 F940	I640-F644 HydrophobicContact CG2-CD2 3.63Å; I640-F644 HydrophobicContact CG2-CE2 3.35Å; I640-F644 HydrophobicContact CG2-CZ 4.36Å; I640-F644 WeakPolarHBondContact O-CD2 3.33Å; I640-F644 PolarHBondContact O-N 2.75Å; V641-F644 PolarHBondContact O-N 3.25Å; F644-L646 PolarHBondContact O-N 3.44Å; F644-S647 PolarHBondContact O-N 3.47Å; F644-L648 PolarHBondContact O-N 2.89Å; F644-L740 HydrophobicContact CD1-CD1 3.6Å; F644-L740 HydrophobicContact CE1-CD1 3.72Å; F644-L740 HydrophobicContact CG-CD1 4.03Å; F644-L740 HydrophobicContact CZ-CD1 4.27Å; F644-C797 HydrophobicContact CD2-CB 4.43Å; F644-C797 HydrophobicContact CE2-CB 4.38Å; F644-F798 AromaticContact CD1-CE1 3.8Å; F644-F798 HydrophobicContact CD1-CE1 3.8Å; F644-F798 AromaticContact CD1-CZ 3.97Å; F644-F798 HydrophobicContact CD1-CZ 3.97Å; F644-F798 HydrophobicContact CD2-CE1 4.48Å; F644-F798 AromaticContact CE1-CE1 3.63Å; F644-F798 HydrophobicContact CE1-CE1 3.63Å; F644-F798 HydrophobicContact CE1-CE2 4.13Å; F644-F798 AromaticContact CE1-CZ 3.29Å; F644-F798 HydrophobicContact CE1-CZ 3.29Å; F644-F798 HydrophobicContact CE2-CD2 4.45Å; F644-F798 HydrophobicContact CE2-CE1 4.31Å; F644-F798 HydrophobicContact CE2-CE2 4.01Å; F644-F798 AromaticContact CE2-CZ 3.93Å; F644-F798 HydrophobicContact CE2-CZ 3.93Å; F644-F798 HydrophobicContact CG-CE1 4.26Å; F644-F798 HydrophobicContact CZ-CD2 4.47Å; F644-F798 AromaticContact CZ-CE1 3.91Å; F644-F798 HydrophobicContact CZ-CE1 3.91Å; F644-F798 AromaticContact CZ-CE2 3.62Å; F644-F798 HydrophobicContact CZ-CE2 3.62Å; F644-F798 AromaticContact CZ-CZ 3.27Å; F644-F798 HydrophobicContact CZ-CZ 3.27Å; F644-A801 HydrophobicContact CB-CB 3.9Å; F644-F802 HydrophobicContact CB-CE1 4.09Å; F644-F802 HydrophobicContact CB-CZ 4.14Å; F644-F940 HydrophobicContact CE1-CB 4.33Å; F644-F940 HydrophobicContact CE1-CD1 4.36Å; F644-F940 AromaticContact CE1-CD2 3.61Å; F644-F940 HydrophobicContact CE1-CD2 3.61Å; F644-F940 AromaticContact CE1-CE2 3.99Å; F644-F940 HydrophobicContact CE1-CE2 3.99Å; F644-F940 AromaticContact CE1-CG 3.82Å; F644-F940 HydrophobicContact CE1-CG 3.82Å; F644-F940 HydrophobicContact CZ-CD1 4.17Å; F644-F940 AromaticContact CZ-CD2 3.87Å; F644-F940 HydrophobicContact CZ-CD2 3.87Å; F644-F940 HydrophobicContact CZ-CE1 4.14Å; F644-F940 AromaticContact CZ-CE2 3.81Å; F644-F940 HydrophobicContact CZ-CE2 3.81Å; F644-F940 HydrophobicContact CZ-CG 4.05Å; F644-F940 AromaticContact CZ-CZ 3.97Å; F644-F940 HydrophobicContact CZ-CZ 3.97Å
645	W	65.8	Low	64.9	Low	30 Å²	30	28.5 Å²	28.5	11%	0.114	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-43.6	173.7	173.5	86.8	0	0	0	112	L552 V641 F642 S647 L648 F649	L552-W645 HydrophobicContact CB-CH2 4.17Å; L552-W645 HydrophobicContact CB-CZ2 3.57Å; L552-W645 HydrophobicContact CD2-CH2 3.56Å; L552-W645 HydrophobicContact CD2-CZ2 3.65Å; L552-W645 HydrophobicContact CD2-CZ3 4.49Å; L552-W645 HydrophobicContact CG-CH2 4.43Å; L552-W645 HydrophobicContact CG-CZ2 4.07Å; L552-W645 PolarHBondContact O-NE1 2.82Å; V641-W645 WeakPolarHBondContact O-CB 3.33Å; V641-W645 PolarHBondContact O-N 2.91Å; F642-W645 PolarHBondContact O-N 2.98Å; W645-S647 PolarHBondContact O-N 3.11Å; W645-L648 PolarHBondContact O-N 3.16Å; W645-F649 HydrophobicContact CH2-CB 4.08Å; W645-F649 AromaticContact CH2-CD2 3.64Å; W645-F649 HydrophobicContact CH2-CD2 3.64Å; W645-F649 HydrophobicContact CH2-CE2 4.33Å; W645-F649 AromaticContact CH2-CG 3.98Å; W645-F649 HydrophobicContact CH2-CG 3.98Å; W645-F649 HydrophobicContact CZ2-CB 4.04Å; W645-F649 AromaticContact CZ2-CD2 3.59Å; W645-F649 HydrophobicContact CZ2-CD2 3.59Å; W645-F649 HydrophobicContact CZ2-CE2 4.46Å; W645-F649 HydrophobicContact CZ2-CG 4.15Å; W645-F649 WeakPolarHBondContact O-CB 3.22Å; W645-F649 PolarHBondContact O-N 2.77Å
646	L	63.6	Low	64.5	Low	9 Å²	9	27.9 Å²	27.9	5%	0.047	14%	0.135	C	C	.	.	H	α-helix	trans	-67.3	-36.5	-179	-173	65.2	0	0	0	112.5	L625 F642 Q643 F644 F649 F650 I736	L625-L646 HydrophobicContact CD1-CD1 3.73Å; F642-L646 WeakPolarHBondContact O-CB 3.25Å; F642-L646 PolarHBondContact O-N 3.31Å; Q643-L646 PolarHBondContact O-N 2.93Å; F644-L646 PolarHBondContact O-N 3.44Å; L646-F649 WeakPolarHBondContact O-CB 3.49Å; L646-F649 PolarHBondContact O-N 3.14Å; L646-F650 HydrophobicContact CD1-CD2 4.2Å; L646-F650 HydrophobicContact CD1-CE2 3.67Å; L646-F650 HydrophobicContact CD1-CZ 4.3Å; L646-F650 HydrophobicContact CD2-CE2 4.31Å; L646-F650 HydrophobicContact CG-CD2 4.08Å; L646-F650 HydrophobicContact CG-CE2 3.76Å; L646-F650 WeakPolarHBondContact O-CD2 3.38Å; L646-F650 PolarHBondContact O-N 3.01Å; L646-I736 HydrophobicContact CB-CD1 4.33Å; L646-I736 HydrophobicContact CD2-CD1 3.78Å; L646-I736 HydrophobicContact CG-CD1 3.73Å
647	S	74.6	Confident	63.8	Low	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67	-42.5	172.5	-175.5	0	0	0	0	111.8	Q643 F644 W645 F649 F650 Y651 A733 I737	Q643-S647 PolarHBondContact O-N 3.42Å; F644-S647 PolarHBondContact O-N 3.47Å; W645-S647 PolarHBondContact O-N 3.11Å; S647-F649 VanDerWaalsContact C-N 3.33Å; S647-F649 PolarHBondContact O-N 2.86Å; S647-F650 PolarHBondContact O-N 3.46Å; S647-Y651 WeakPolarHBondContact O-CB 3.42Å; S647-Y651 PolarHBondContact O-N 3.11Å; S647-A733 PolarHBondContact OG-O 2.71Å; S647-I737 WeakPolarHBondContact OG-CG1 3.43Å
648	L	71.7	Confident	63.4	Low	17 Å²	17	21.1 Å²	21.1	9%	0.089	10%	0.099	C	C	.	.	H	α-helix	trans	-59.7	-44.1	174.4	178.2	62.1	0	0	0	111.5	F644 W645 F650 Y651 D652 F802 M933 L936	F644-L648 PolarHBondContact O-N 2.89Å; W645-L648 PolarHBondContact O-N 3.16Å; L648-F650 PolarHBondContact O-N 3.34Å; L648-Y651 PolarHBondContact O-N 2.95Å; L648-D652 WeakPolarHBondContact O-CB 3.32Å; L648-D652 PolarHBondContact O-N 3.19Å; L648-F802 HydrophobicContact CB-CE1 3.8Å; L648-F802 HydrophobicContact CB-CZ 4.33Å; L648-F802 HydrophobicContact CD2-CD1 3.66Å; L648-F802 HydrophobicContact CD2-CE1 3.77Å; L648-F802 HydrophobicContact CG-CE1 4.33Å; L648-M933 HydrophobicContact CD1-CG 3.86Å; L648-M933 HydrophobicContact CD2-CG 3.52Å; L648-M933 HydrophobicContact CG-CG 4.37Å; L648-L936 VanDerWaalsContact CA-CD1 3.41Å; L648-L936 HydrophobicContact CB-CD1 3.85Å; L648-L936 HydrophobicContact CD1-CD1 4.26Å
649	F	62.7	Low	62.5	Low	14 Å²	14	23.4 Å²	23.4	6%	0.061	11%	0.111	C	C	.	.	H	α-helix	trans	-54.1	-50.4	175.9	173.7	-81.2	0	0	0	112.1	L560 W645 L646 S647 L653	L560-F649 HydrophobicContact CB-CE2 4.4Å; L560-F649 HydrophobicContact CB-CZ 3.95Å; L560-F649 HydrophobicContact CD1-CE2 4.41Å; L560-F649 HydrophobicContact CD1-CZ 3.87Å; L560-F649 HydrophobicContact CD2-CE1 4.39Å; L560-F649 HydrophobicContact CD2-CZ 3.9Å; L560-F649 HydrophobicContact CG-CZ 4.1Å; W645-F649 HydrophobicContact CH2-CB 4.08Å; W645-F649 AromaticContact CH2-CD2 3.64Å; W645-F649 HydrophobicContact CH2-CD2 3.64Å; W645-F649 HydrophobicContact CH2-CE2 4.33Å; W645-F649 AromaticContact CH2-CG 3.98Å; W645-F649 HydrophobicContact CH2-CG 3.98Å; W645-F649 HydrophobicContact CZ2-CB 4.04Å; W645-F649 AromaticContact CZ2-CD2 3.59Å; W645-F649 HydrophobicContact CZ2-CD2 3.59Å; W645-F649 HydrophobicContact CZ2-CE2 4.46Å; W645-F649 HydrophobicContact CZ2-CG 4.15Å; W645-F649 WeakPolarHBondContact O-CB 3.22Å; W645-F649 PolarHBondContact O-N 2.77Å; L646-F649 WeakPolarHBondContact O-CB 3.49Å; L646-F649 PolarHBondContact O-N 3.14Å; S647-F649 VanDerWaalsContact C-N 3.33Å; S647-F649 PolarHBondContact O-N 2.86Å; F649-L653 HydrophobicContact CE1-CD2 4.32Å; F649-L653 VanDerWaalsContact O-CB 3.3Å; F649-L653 WeakPolarHBondContact O-CB 3.46Å; F649-L653 PolarHBondContact O-N 3.41Å
650	F	68	Low	61.3	Low	1 Å²	1	22.3 Å²	22.3	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-72.4	-32.5	-178.9	-74.5	-56.9	0	0	0	112.6	F618 L646 S647 L648 L653 A654 S729 L732 A733 I736	F618-F650 HydrophobicContact CD1-CD1 4.48Å; F618-F650 AromaticContact CD1-CE1 3.74Å; F618-F650 HydrophobicContact CD1-CE1 3.74Å; F618-F650 HydrophobicContact CD1-CZ 4.44Å; F618-F650 HydrophobicContact CE1-CD1 4.21Å; F618-F650 AromaticContact CE1-CE1 3.77Å; F618-F650 HydrophobicContact CE1-CE1 3.77Å; L646-F650 HydrophobicContact CD1-CD2 4.2Å; L646-F650 HydrophobicContact CD1-CE2 3.67Å; L646-F650 HydrophobicContact CD1-CZ 4.3Å; L646-F650 HydrophobicContact CD2-CE2 4.31Å; L646-F650 HydrophobicContact CG-CD2 4.08Å; L646-F650 HydrophobicContact CG-CE2 3.76Å; L646-F650 WeakPolarHBondContact O-CD2 3.38Å; L646-F650 PolarHBondContact O-N 3.01Å; S647-F650 PolarHBondContact O-N 3.46Å; L648-F650 PolarHBondContact O-N 3.34Å; F650-L653 HydrophobicContact CD1-CD2 4.19Å; F650-A654 WeakPolarHBondContact O-CB 3.41Å; F650-A654 PolarHBondContact O-N 2.87Å; F650-S729 WeakPolarHBondContact CB-O 3.37Å; F650-L732 HydrophobicContact CD1-CD1 4.42Å; F650-L732 HydrophobicContact CD2-CB 4.05Å; F650-L732 HydrophobicContact CE1-CD1 4.15Å; F650-L732 HydrophobicContact CE2-CB 4.3Å; F650-L732 HydrophobicContact CG-CB 4.2Å; F650-L732 HydrophobicContact CZ-CD1 4.27Å; F650-A733 HydrophobicContact CB-CB 3.88Å; F650-I736 HydrophobicContact CD2-CD1 3.74Å; F650-I736 HydrophobicContact CE2-CD1 3.94Å
651	Y	72.3	Confident	59.8	Low	10 Å²	10	23.4 Å²	23.4	4%	0.039	12%	0.115	C	C	.	.	H	α-helix	trans	-69.7	-40.4	175	-175.9	-102.5	0	0	0	112.7	S647 L648 T655 Y730 T932 R935 L1082	S647-Y651 WeakPolarHBondContact O-CB 3.42Å; S647-Y651 PolarHBondContact O-N 3.11Å; L648-Y651 PolarHBondContact O-N 2.95Å; Y651-T655 WeakPolarHBondContact O-CB 3.24Å; Y651-T655 PolarHBondContact O-N 2.98Å; Y651-T655 PolarHBondContact O-OG1 2.93Å; Y651-Y730 AromaticContact CD2-CD1 3.76Å; Y651-Y730 HydrophobicContact CD2-CD1 3.76Å; Y651-Y730 AromaticContact CD2-CE1 3.53Å; Y651-Y730 HydrophobicContact CD2-CE1 3.53Å; Y651-Y730 HydrophobicContact CE2-CD1 4.04Å; Y651-Y730 AromaticContact CE2-CE1 3.51Å; Y651-Y730 HydrophobicContact CE2-CE1 3.51Å; Y651-Y730 HydrophobicContact CG-CE1 4.5Å; Y651-T932 HydrophobicContact CD1-CG2 3.99Å; Y651-T932 HydrophobicContact CE1-CG2 3.72Å; Y651-R935 HydrophobicContact CE1-CG 4.41Å; Y651-R935 WeakPolarHBondContact OH-CG 3.39Å; Y651-L1082 HydrophobicContact CD2-CB 3.89Å; Y651-L1082 HydrophobicContact CD2-CD1 4.1Å; Y651-L1082 HydrophobicContact CD2-CD2 3.54Å; Y651-L1082 HydrophobicContact CD2-CG 4.06Å; Y651-L1082 HydrophobicContact CE2-CB 3.88Å; Y651-L1082 HydrophobicContact CE2-CD2 3.63Å; Y651-L1082 HydrophobicContact CE2-CG 4.28Å; Y651-L1082 HydrophobicContact CG-CD2 4.3Å
652	D	61.5	Low	58.2	Low	9 Å²	9	29.8 Å²	29.8	5%	0.048	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-47.1	172.1	-80.6	3.1	0	0	0	110.6	L648 A654 T655 Y656 T932 P1097	L648-D652 WeakPolarHBondContact O-CB 3.32Å; L648-D652 PolarHBondContact O-N 3.19Å; D652-A654 PolarHBondContact O-N 3.28Å; D652-T655 WeakPolarHBondContact O-CB 3.45Å; D652-T655 PolarHBondContact O-N 3.33Å; D652-T655 VanDerWaalsContact O-N 3.08Å; D652-Y656 HydrophobicContact CB-CE2 4.5Å; D652-Y656 WeakPolarHBondContact O-CD2 3.28Å; D652-Y656 PolarHBondContact O-N 3Å; D652-T932 WeakPolarHBondContact OD1-CB 3.42Å; D652-T932 VanDerWaalsContact OD1-CG2 3.27Å; D652-T932 WeakPolarHBondContact OD1-CG2 2.96Å; D652-T932 PolarHBondContact OD1-OG1 3.01Å; D652-P1097 HydrophobicContact CB-CB 4.46Å; D652-P1097 WeakPolarHBondContact OD2-CB 3.34Å
653	L	58.4	Low	56.6	Low	2 Å²	2	32.4 Å²	32.4	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-54.1	-49.6	176	179.1	64.3	0	0	0	111.7	L561 L564 F618 F649 F650 T655 Y656 L657 S729	L561-L653 HydrophobicContact CB-CD1 3.94Å; L561-L653 HydrophobicContact CD1-CD1 3.72Å; L561-L653 HydrophobicContact CG-CD1 4.25Å; L564-L653 HydrophobicContact CD1-CD2 4.08Å; F618-L653 HydrophobicContact CE1-CD2 4.11Å; F618-L653 HydrophobicContact CZ-CD2 4.31Å; F649-L653 HydrophobicContact CE1-CD2 4.32Å; F649-L653 VanDerWaalsContact O-CB 3.3Å; F649-L653 WeakPolarHBondContact O-CB 3.46Å; F649-L653 PolarHBondContact O-N 3.41Å; F650-L653 HydrophobicContact CD1-CD2 4.19Å; L653-T655 VanDerWaalsContact C-N 3.29Å; L653-T655 PolarHBondContact O-N 3.25Å; L653-Y656 PolarHBondContact O-N 2.97Å; L653-L657 HydrophobicContact CD1-CD1 4.47Å; L653-L657 HydrophobicContact CG-CD1 4.45Å; L653-L657 WeakPolarHBondContact O-CG 3.18Å; L653-L657 PolarHBondContact O-N 2.93Å; L653-L657 VanDerWaalsContact O-N 3.1Å; L653-S729 WeakPolarHBondContact CD2-OG 3.4Å
654	A	64.5	Low	54.6	Low	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-33.9	177.6	0	0	0	0	0	112.7	F650 D652 L657 T658 R726 Y730	F650-A654 WeakPolarHBondContact O-CB 3.41Å; F650-A654 PolarHBondContact O-N 2.87Å; D652-A654 PolarHBondContact O-N 3.28Å; A654-L657 PolarHBondContact O-N 3.44Å; A654-T658 PolarHBondContact O-N 3.18Å; A654-T658 PolarHBondContact O-OG1 3.04Å; A654-R726 HydrophobicContact CB-CG 4.37Å; A654-R726 WeakPolarHBondContact O-CG 3.4Å; A654-Y730 HydrophobicContact CB-CD1 3.64Å; A654-Y730 HydrophobicContact CB-CD2 3.48Å; A654-Y730 VanDerWaalsContact CB-CD2 3.48Å; A654-Y730 HydrophobicContact CB-CE1 3.58Å; A654-Y730 HydrophobicContact CB-CE2 3.43Å; A654-Y730 VanDerWaalsContact CB-CE2 3.43Å; A654-Y730 HydrophobicContact CB-CG 3.57Å; A654-Y730 VanDerWaalsContact CB-CZ 3.47Å
655	T	61.7	Low	52.4	Low	1 Å²	1	43.2 Å²	43.2	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-70.9	-40.2	176.8	-57.1	0	0	0	0	111.5	Y651 D652 L653 L657 T658 W661 Y730 P1093	Y651-T655 WeakPolarHBondContact O-CB 3.24Å; Y651-T655 PolarHBondContact O-N 2.98Å; Y651-T655 PolarHBondContact O-OG1 2.93Å; D652-T655 WeakPolarHBondContact O-CB 3.45Å; D652-T655 PolarHBondContact O-N 3.33Å; D652-T655 VanDerWaalsContact O-N 3.08Å; L653-T655 VanDerWaalsContact C-N 3.29Å; L653-T655 PolarHBondContact O-N 3.25Å; T655-L657 VanDerWaalsContact C-N 3.33Å; T655-L657 PolarHBondContact O-N 2.94Å; T655-T658 WeakPolarHBondContact O-CB 3.48Å; T655-T658 PolarHBondContact O-N 2.89Å; T655-T658 PolarHBondContact O-OG1 3.38Å; T655-W661 HydrophobicContact CG2-CE3 4.24Å; T655-W661 HydrophobicContact CG2-CH2 4.14Å; T655-W661 HydrophobicContact CG2-CZ3 3.62Å; T655-Y730 PolarHBondContact OG1-OH 2.81Å; T655-P1093 HydrophobicContact CG2-CB 4.09Å; T655-P1093 HydrophobicContact CG2-CG 4.01Å
656	Y	51.9	Low	50.4	Low	75 Å²	75	47.5 Å²	47.5	29%	0.294	25%	0.245	S	C	.	.	H	α-helix	trans	-63.4	-34.4	172.9	-82	-65.9	0	0	0	113.5	D652 L653 T658 W661 P1097	D652-Y656 HydrophobicContact CB-CE2 4.5Å; D652-Y656 WeakPolarHBondContact O-CD2 3.28Å; D652-Y656 PolarHBondContact O-N 3Å; L653-Y656 PolarHBondContact O-N 2.97Å; Y656-T658 PolarHBondContact O-N 2.89Å; Y656-W661 AromaticContact CD1-CE2 3.91Å; Y656-W661 HydrophobicContact CD1-CZ2 4.24Å; Y656-W661 AromaticContact CD1-NE1 3.49Å; Y656-W661 HydrophobicContact CE1-CZ2 4.12Å; Y656-W661 AromaticContact CE1-NE1 3.74Å; Y656-P1097 HydrophobicContact CE1-CG 4.21Å; Y656-P1097 HydrophobicContact CE2-CB 4.45Å; Y656-P1097 HydrophobicContact CE2-CG 3.77Å; Y656-P1097 WeakPolarHBondContact OH-CG 3.49Å
657	L	50.9	Low	48.5	Very low	31 Å²	31	55.7 Å²	55.7	16%	0.162	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	0.4	177.4	-66.4	177.4	0	0	0	113.8	L561 L653 A654 T655 I722 I725 R726	L561-L657 HydrophobicContact CD1-CD2 3.87Å; L561-L657 HydrophobicContact CD1-CG 4.49Å; L653-L657 HydrophobicContact CD1-CD1 4.47Å; L653-L657 HydrophobicContact CG-CD1 4.45Å; L653-L657 WeakPolarHBondContact O-CG 3.18Å; L653-L657 PolarHBondContact O-N 2.93Å; L653-L657 VanDerWaalsContact O-N 3.1Å; A654-L657 PolarHBondContact O-N 3.44Å; T655-L657 VanDerWaalsContact C-N 3.33Å; T655-L657 PolarHBondContact O-N 2.94Å; L657-I722 HydrophobicContact CD2-CG2 4.25Å; L657-I725 HydrophobicContact CD1-CB 4.19Å; L657-I725 HydrophobicContact CD1-CG2 3.58Å; L657-R726 HydrophobicContact CB-CB 4.06Å; L657-R726 HydrophobicContact CB-CG 4.04Å; L657-R726 WeakPolarHBondContact O-CD 3.37Å
658	T	53.4	Low	46	Very low	21 Å²	21	59 Å²	59	13%	0.129	30%	0.303	C	S	.	.	S	Bend	trans	-75.7	134.3	-179.7	-62	0	0	0	0	111.3	A654 T655 Y656 W661 P1093	A654-T658 PolarHBondContact O-N 3.18Å; A654-T658 PolarHBondContact O-OG1 3.04Å; T655-T658 WeakPolarHBondContact O-CB 3.48Å; T655-T658 PolarHBondContact O-N 2.89Å; T655-T658 PolarHBondContact O-OG1 3.38Å; Y656-T658 PolarHBondContact O-N 2.89Å; T658-W661 WeakPolarHBondContact O-CB 3.41Å; T658-W661 PolarHBondContact O-N 2.66Å; T658-P1093 HydrophobicContact CG2-CG 4.22Å
659	P	39.6	Very low	43.7	Very low	59 Å²	59	63.9 Å²	63.9	38%	0.383	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	150.9	175.2	-29.6	36.3	0	0	0	113.7	W661	P659-W661 PolarHBondContact O-N 2.96Å; P659-W661 VanDerWaalsContact O-N 3.17Å
660	N	37.6	Very low	41.8	Very low	71 Å²	71	68.3 Å²	68.3	38%	0.38	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	12.4	-180	-55.2	-20.6	0	0	0	116	L662 T663 N1090	N660-L662 VanDerWaalsContact C-N 3.33Å; N660-L662 PolarHBondContact O-N 3.33Å; N660-T663 VanDerWaalsContact CA-OG1 3.26Å; N660-T663 WeakPolarHBondContact CA-OG1 3.34Å; N660-T663 WeakPolarHBondContact CB-OG1 3.43Å; N660-T663 PolarHBondContact O-N 2.85Å; N660-T663 PolarHBondContact O-OG1 3.16Å; N660-T663 VanDerWaalsContact O-OG1 3.07Å; N660-N1090 PolarHBondContact ND2-O 3.4Å
661	W	36	Very low	39.5	Very low	47 Å²	47	74.7 Å²	74.7	18%	0.178	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-45.2	179.2	177.7	-109.5	0	0	0	114.6	T655 Y656 T658 P659 P1093 K1096 P1097	T655-W661 HydrophobicContact CG2-CE3 4.24Å; T655-W661 HydrophobicContact CG2-CH2 4.14Å; T655-W661 HydrophobicContact CG2-CZ3 3.62Å; Y656-W661 AromaticContact CD1-CE2 3.91Å; Y656-W661 HydrophobicContact CD1-CZ2 4.24Å; Y656-W661 AromaticContact CD1-NE1 3.49Å; Y656-W661 HydrophobicContact CE1-CZ2 4.12Å; Y656-W661 AromaticContact CE1-NE1 3.74Å; T658-W661 WeakPolarHBondContact O-CB 3.41Å; T658-W661 PolarHBondContact O-N 2.66Å; P659-W661 PolarHBondContact O-N 2.96Å; P659-W661 VanDerWaalsContact O-N 3.17Å; W661-P1093 HydrophobicContact CE3-CG 3.53Å; W661-P1093 HydrophobicContact CZ3-CG 3.59Å; W661-K1096 HydrophobicContact CH2-CB 3.78Å; W661-K1096 HydrophobicContact CH2-CD 3.89Å; W661-K1096 HydrophobicContact CH2-CG 3.64Å; W661-K1096 HydrophobicContact CZ3-CD 4.3Å; W661-K1096 HydrophobicContact CZ3-CG 4Å; W661-P1097 HydrophobicContact CH2-CG 4.36Å; W661-P1097 HydrophobicContact CZ2-CG 4.23Å
662	L	26.9	Very low	37.1	Very low	164 Å²	164	76.6 Å²	76.6	86%	0.859	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-14.8	179.7	-81.6	94.6	0	0	0	114.3	N660	N660-L662 VanDerWaalsContact C-N 3.33Å; N660-L662 PolarHBondContact O-N 3.33Å
663	T	26.1	Very low	35.3	Very low	91 Å²	91	82.8 Å²	82.8	56%	0.558	47%	0.469	S	S	*	.			trans	-105.5	90.5	-169.2	50.2	0	0	0	0	111.2	N660	N660-T663 VanDerWaalsContact CA-OG1 3.26Å; N660-T663 WeakPolarHBondContact CA-OG1 3.34Å; N660-T663 WeakPolarHBondContact CB-OG1 3.43Å; N660-T663 PolarHBondContact O-N 2.85Å; N660-T663 PolarHBondContact O-OG1 3.16Å; N660-T663 VanDerWaalsContact O-OG1 3.07Å
664	H	26.9	Very low	33.6	Very low	117 Å²	117	86.6 Å²	86.6	54%	0.542	49%	0.492	S	S	.	.			trans	-144	131.6	168.1	-117.8	-76.4	0	0	0	114.2	S1092	H664-S1092 VanDerWaalsContact CD2-CB 3.46Å; H664-S1092 WeakPolarHBondContact CD2-CB 3.28Å; H664-S1092 PolarHBondContact CD2-OG 3.21Å; H664-S1092 VanDerWaalsContact CD2-OG 3.28Å; H664-S1092 PolarHBondContact NE2-OG 3.2Å; H664-S1092 VanDerWaalsContact NE2-OG 3.14Å
665	D	27	Very low	31.8	Very low	139 Å²	139	89.9 Å²	89.9	74%	0.743	51%	0.509	S	S	*	.			trans	-59.7	139.5	179.5	-58.2	-64.7	0	0	0	113.3
666	I	24.1	Very low	30.3	Very low	119 Å²	119	90.7 Å²	90.7	61%	0.61	52%	0.518	S	S	*	.			trans	-121.8	99.4	165.1	-60.2	-174.6	0	0	0	109.5
667	K	22.5	Very low	29.4	Very low	182 Å²	182	91.1 Å²	91.1	79%	0.791	52%	0.521	S	S	*	.			trans	-53.3	148.5	-175	-63.4	173.2	-178.3	172.9	0	113.7	R257	R257-K667 PolarHBondContact NH2-O 3.27Å; R257-K667 VanDerWaalsContact NH2-O 3.07Å
668	S	23.1	Very low	28.7	Very low	69 Å²	69	93.5 Å²	93.5	48%	0.483	53%	0.534	S	S	.	.			trans	-128.4	114.7	-166.3	48.8	0	0	0	0	113	L130	L130-S668 VanDerWaalsContact CD2-OG 3.23Å; L130-S668 WeakPolarHBondContact CD2-OG 3.45Å
669	P	22.9	Very low	27.7	Very low	120 Å²	120	97.5 Å²	97.5	78%	0.779	56%	0.555	S	S	*	*			trans	-90.2	127.3	167.6	32.5	-29	0	0	0	112
670	S	22	Very low	27.4	Very low	106 Å²	106	100 Å²	100	74%	0.741	57%	0.569	S	S	*	*			trans	-29.8	149.7	166.7	55.5	0	0	0	0	119.1
671	V	21.3	Very low	27.1	Very low	135 Å²	135	100.8 Å²	100.8	82%	0.818	58%	0.58	S	S	*	*				-173.4	146.2	107.4	147	0	0	0	0	110.1
672	G	21.3	Very low	26.9	Very low	51 Å²	51	103.1 Å²	103.1	53%	0.526	60%	0.604	S	S	.	*			trans	-69.4	155.6	-170.4	0	0	0	0	0	116.8
673	T	23.1	Very low	27.1	Very low	139 Å²	139	99.6 Å²	99.6	85%	0.853	59%	0.593	S	S	*	*				69.1	132.9	85.3	64.4	0	0	0	0	113.3
674	V	23.9	Very low	27.3	Very low	81 Å²	81	102.8 Å²	102.8	49%	0.491	61%	0.605	S	S	.	*				-151.6	125.2	73.4	161.7	0	0	0	0	108.3	K212	K212-V674 HydrophobicContact CB-CG1 3.5Å; K212-V674 HydrophobicContact CB-CG2 4.5Å
675	D	25.7	Very low	27.4	Very low	69 Å²	69	101.7 Å²	101.7	37%	0.369	61%	0.611	S	S	.	*				65.7	150.7	87.7	-159.8	49.6	0	0	0	114.4	M209 F210 M211	M209-D675 VanDerWaalsContact C-OD2 3.25Å; M209-D675 WeakPolarHBondContact CB-OD2 3.16Å; M209-D675 WeakPolarHBondContact CE-OD1 3.37Å; F210-D675 PolarHBondContact N-OD2 3Å; M211-D675 WeakPolarHBondContact CA-O 3.46Å; M211-D675 WeakPolarHBondContact CG-O 3.4Å
676	G	31	Very low	27.7	Very low	18 Å²	18	104 Å²	104	19%	0.186	62%	0.617	C	S	.	*	B	Isolated β-bridge	cis	171.5	-172.8	1.9	0	0	0	0	0	113.4	M209 F210 M211	M209-G676 CarbonylContact O-C 3.53Å; M209-G676 WeakPolarHBondContact O-CA 3.33Å; F210-G676 WeakPolarHBondContact CD1-O 3.3Å; M211-G676 WeakPolarHBondContact CG-O 3.4Å; M211-G676 VanDerWaalsContact N-N 3.19Å; M211-G676 PolarHBondContact N-O 3.28Å
677	K	33.2	Very low	28.4	Very low	84 Å²	84	103 Å²	103	37%	0.365	62%	0.618	S	S	.	*			trans	56.4	168.5	166.3	-95.8	-173.1	-93.9	-156.9	0	120.2	G207 S208 M209 F210	G207-K677 PolarHBondContact O-NZ 3.42Å; S208-K677 WeakPolarHBondContact O-CE 3.47Å; S208-K677 PolarHBondContact O-NZ 3.45Å; S208-K677 VanDerWaalsContact O-NZ 3.13Å; S208-K677 WeakPolarHBondContact OG-CG 3.41Å; M209-K677 WeakPolarHBondContact O-CA 3.32Å; M209-K677 WeakPolarHBondContact O-CB 3.25Å; M209-K677 WeakPolarHBondContact O-CG 3.4Å; M209-K677 PolarHBondContact O-N 3.33Å; F210-K677 HydrophobicContact CB-CB 3.71Å; F210-K677 HydrophobicContact CB-CD 4.02Å; F210-K677 HydrophobicContact CB-CG 4.3Å; F210-K677 HydrophobicContact CD1-CB 3.47Å; F210-K677 VanDerWaalsContact CD1-CB 3.47Å; F210-K677 HydrophobicContact CD2-CB 3.5Å; F210-K677 HydrophobicContact CD2-CD 3.8Å; F210-K677 HydrophobicContact CD2-CG 4.23Å; F210-K677 HydrophobicContact CE1-CB 3.86Å; F210-K677 WeakPolarHBondContact CE1-O 3.5Å; F210-K677 HydrophobicContact CE2-CB 3.93Å; F210-K677 HydrophobicContact CG-CB 3.23Å; F210-K677 HydrophobicContact CG-CD 4.07Å; F210-K677 HydrophobicContact CG-CG 4.19Å; F210-K677 HydrophobicContact CZ-CB 4.08Å
678	D	35.8	Very low	28.6	Very low	81 Å²	81	100.2 Å²	100.2	43%	0.433	62%	0.616	S	S	.	*			cis	-136.9	132.8	2.6	-124	-25.7	0	0	0	109.1	F210	F210-D678 HydrophobicContact CD2-CB 4.27Å; F210-D678 VanDerWaalsContact CD2-OD2 3.29Å; F210-D678 WeakPolarHBondContact CD2-OD2 3.28Å; F210-D678 HydrophobicContact CE2-CB 3.57Å; F210-D678 WeakPolarHBondContact CE2-OD2 3.29Å; F210-D678 HydrophobicContact CZ-CB 3.79Å
679	N	31.9	Very low	28.9	Very low	105 Å²	105	103.2 Å²	103.2	56%	0.561	63%	0.632	S	S	*	*				67.5	155.8	98.6	-72.1	14	0	0	0	116.5	S208	S208-N679 PolarHBondContact OG-OD1 2.95Å
680	T	34	Very low	30.1	Very low	111 Å²	111	103.7 Å²	103.7	68%	0.681	64%	0.635	S	S	*	*			cis	-159.8	157.2	14.7	-15.5	0	0	0	0	114.1
681	S	31.5	Very low	30.3	Very low	89 Å²	89	102.4 Å²	102.4	62%	0.622	64%	0.638	S	S	*	*			trans	70.3	173.5	147.7	78	0	0	0	0	119.3
682	S	31.2	Very low	30.4	Very low	95 Å²	95	101.3 Å²	101.3	66%	0.664	64%	0.637	S	S	*	*			cis	-179.8	165.1	-32.4	55.3	0	0	0	0	109.2
683	S	29.8	Very low	30.4	Very low	91 Å²	91	106.7 Å²	106.7	64%	0.636	65%	0.648	S	S	*	*			cis	179.8	177.8	-23.8	56.2	0	0	0	0	110.3
684	I	31.7	Very low	30.3	Very low	158 Å²	158	105.8 Å²	105.8	81%	0.81	64%	0.638	S	S	*	*			trans	76.4	144.5	158.1	-64.7	165.3	0	0	0	118.3
685	S	28.3	Very low	30.1	Very low	94 Å²	94	111.7 Å²	111.7	66%	0.657	65%	0.652	S	S	*	*			cis	-174.1	140.4	-30.5	65.9	0	0	0	0	115
686	Q	33.7	Very low	30.1	Very low	187 Å²	187	116.3 Å²	116.3	87%	0.874	67%	0.671	S	S	*	*			trans	37.4	-177.6	136.6	-75	-166.3	-18.9	0	0	123.7
687	P	37.9	Very low	29.6	Very low	97 Å²	97	123.1 Å²	123.1	63%	0.63	70%	0.698	S	S	*	*			cis	-141.3	-167.7	2.8	44.6	-24.5	0	0	0	119.1
688	T	27.2	Very low	29	Very low	124 Å²	124	125.9 Å²	125.9	76%	0.761	72%	0.716	S	S	*	*			trans	71.2	157.6	157.1	52.1	0	0	0	0	120.5
689	T	28.8	Very low	28.3	Very low	132 Å²	132	127.8 Å²	127.8	81%	0.81	73%	0.731	S	S	*	*			cis	-161.2	170.8	-7.3	14.4	0	0	0	0	112.7
690	P	49.2	Very low	27.8	Very low	131 Å²	131	127.9 Å²	127.9	85%	0.851	74%	0.74	S	S	*	*			trans	-128.2	-174.8	-168.5	45.3	-32.5	0	0	0	118.7
691	G	26.6	Very low	27.2	Very low	78 Å²	78	132.8 Å²	132.8	80%	0.804	75%	0.752	S	S	*	*			trans	-162.5	161.3	172.2	0	0	0	0	0	117.4
692	S	22.6	Very low	26.7	Very low	113 Å²	113	133.5 Å²	133.5	79%	0.79	76%	0.757	S	S	*	*			trans	-72.7	175.8	-173.3	56.1	0	0	0	0	116.8
693	E	20.7	Very low	26.2	Very low	163 Å²	163	133.9 Å²	133.9	76%	0.762	75%	0.751	S	S	*	*			cis	-171	164.5	2.4	-129.4	175	-141.7	0	0	115.2
694	N	21.9	Very low	25.9	Very low	120 Å²	120	138.2 Å²	138.2	64%	0.642	77%	0.767	S	S	*	*			trans	71.6	126.1	141.2	-90.8	-46.5	0	0	0	128.5
695	R	19.7	Very low	25.5	Very low	205 Å²	205	133 Å²	133	77%	0.774	74%	0.744	S	S	*	*			trans	66.6	120.2	134.9	-98.2	-178.3	179.7	172.8	1.7	124.9
696	H	25	Very low	25.2	Very low	167 Å²	167	135.6 Å²	135.6	77%	0.773	75%	0.75	S	S	*	*				179.9	174.4	99.9	-102.4	-73.7	0	0	0	113.4
697	Q	21.2	Very low	24.7	Very low	161 Å²	161	129.2 Å²	129.2	75%	0.752	72%	0.722	S	S	*	*			trans	-125.2	151.2	-167.3	-55.5	159.4	-65.4	0	0	112.9
698	N	20.9	Very low	24	Very low	141 Å²	141	132 Å²	132	75%	0.754	73%	0.726	S	S	*	*				161.7	155.1	117.7	-87.7	-29	0	0	0	117.8
699	T	20.8	Very low	23.8	Very low	122 Å²	122	132.6 Å²	132.6	75%	0.748	72%	0.724	S	S	*	*			trans	64.8	81.7	153.3	48	0	0	0	0	121.4
700	S	20	Very low	23.5	Very low	106 Å²	106	135.5 Å²	135.5	74%	0.741	73%	0.726	S	S	*	*				29.8	121.8	118.4	63.2	0	0	0	0	120.7
701	K	22.1	Very low	22.3	Very low	214 Å²	214	132.3 Å²	132.3	93%	0.93	72%	0.717	S	S	*	*			trans	-155.8	139	140.6	-120.1	168.9	-173.1	175.2	0	112.8
702	S	21.8	Very low	22.1	Very low	105 Å²	105	135.6 Å²	135.6	73%	0.734	71%	0.711	S	S	*	*			trans	-69.9	128.3	-167.6	52.4	0	0	0	0	115.5
703	D	20.9	Very low	22.2	Very low	102 Å²	102	137.8 Å²	137.8	55%	0.545	71%	0.713	S	S	.	*				34.7	107.9	115.1	-61	7.7	0	0	0	118.7	N65	N65-D703 PolarHBondContact ND2-OD1 2.97Å; N65-D703 VanDerWaalsContact ND2-OD1 3.17Å; N65-D703 PolarHBondContact ND2-OD2 2.78Å
704	L	23	Very low	22.5	Very low	183 Å²	183	134.7 Å²	134.7	96%	0.958	70%	0.701	S	S	*	*			trans	-157.5	105.5	140.9	-109.2	171.4	0	0	0	108.1
705	S	22.9	Very low	22.6	Very low	49 Å²	49	132.3 Å²	132.3	34%	0.343	70%	0.698	S	S	.	*			trans	-132.9	137.5	-161.6	48.4	0	0	0	0	113.1	N64 N65 N707	N64-S705 VanDerWaalsContact CG-OG 3.27Å; N64-S705 VanDerWaalsContact ND2-C 3.33Å; N64-S705 WeakPolarHBondContact ND2-CB 3.5Å; N64-S705 PolarHBondContact ND2-O 2.69Å; N64-S705 PolarHBondContact ND2-OG 2.96Å; N65-S705 WeakPolarHBondContact OD1-CB 3.49Å; N65-S705 PolarHBondContact OD1-OG 2.96Å; S705-N707 VanDerWaalsContact C-N 3.31Å; S705-N707 PolarHBondContact O-N 2.9Å
706	L	22.6	Very low	23	Very low	148 Å²	148	127.7 Å²	127.7	78%	0.775	70%	0.695	S	S	*	*			trans	-78.9	41	-154	-77.8	159.4	0	0	0	117	H708	L706-H708 PolarHBondContact O-N 3Å
707	N	22.4	Very low	23.2	Very low	52 Å²	52	124.4 Å²	124.4	28%	0.278	68%	0.68	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.3	14.7	-174.8	-102.1	-5.4	0	0	0	116.5	R62 Y63 N64 S705	R62-N707 PolarHBondContact NE-O 3.42Å; R62-N707 PolarHBondContact NH2-O 3.28Å; Y63-N707 PolarHBondContact O-ND2 3.08Å; N64-N707 WeakPolarHBondContact CB-ND2 3.47Å; N64-N707 VanDerWaalsContact CG-CG 3.46Å; N64-N707 VanDerWaalsContact ND2-CB 3.31Å; N64-N707 WeakPolarHBondContact ND2-CB 3.35Å; N64-N707 PolarHBondContact ND2-ND2 3.4Å; N64-N707 VanDerWaalsContact ND2-ND2 3.19Å; S705-N707 VanDerWaalsContact C-N 3.31Å; S705-N707 PolarHBondContact O-N 2.9Å
708	H	22.7	Very low	23.9	Very low	156 Å²	156	119.6 Å²	119.6	72%	0.722	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	4	-175.3	-113.2	-76.7	0	0	0	116.4	R62 L706	R62-H708 PolarHBondContact NH1-CD2 2.88Å; R62-H708 VanDerWaalsContact NH1-CD2 3.28Å; R62-H708 PolarHBondContact NH1-NE2 2.99Å; R62-H708 PolarHBondContact NH2-CE1 3.47Å; R62-H708 PolarHBondContact NH2-NE2 2.91Å; L706-H708 PolarHBondContact O-N 3Å
709	L	24.2	Very low	24.9	Very low	137 Å²	137	118.9 Å²	118.9	72%	0.717	66%	0.657	S	S	*	*	S	Bend	trans	-113	-8.8	-179.3	-89.8	162.2	0	0	0	115.6
710	F	22.9	Very low	26.1	Very low	193 Å²	193	115.9 Å²	115.9	85%	0.846	64%	0.644	S	S	*	*			trans	-126.5	50.9	-171.4	-65.4	-75.8	0	0	0	113
711	G	22.4	Very low	27.3	Very low	64 Å²	64	113.2 Å²	113.2	66%	0.66	62%	0.62	S	S	*	*			trans	-104.5	122	172.3	0	0	0	0	0	112
712	E	23.6	Very low	28.4	Very low	147 Å²	147	106.6 Å²	106.6	69%	0.687	59%	0.594	S	S	*	*			trans	55.3	92.9	154.1	-66.8	162.1	-154.8	0	0	117.8
713	L	24.2	Very low	30	Very low	158 Å²	158	104.2 Å²	104.2	83%	0.827	57%	0.571	S	S	*	*			trans	-127.3	104.6	148	-136.1	84.6	0	0	0	107.7
714	L	26.4	Very low	31.8	Very low	98 Å²	98	103.2 Å²	103.2	51%	0.513	56%	0.563	S	S	.	*			trans	-100	162.8	-176.3	-84.7	163.7	0	0	0	111.6	N85	N85-L714 VanDerWaalsContact OD1-CB 3.25Å; N85-L714 WeakPolarHBondContact OD1-CB 3.46Å
715	A	25	Very low	33.2	Very low	71 Å²	71	95 Å²	95	59%	0.587	52%	0.52	S	S	*	.			trans	-58.7	139	-174.3	0	0	0	0	0	112.7	N85 E717	N85-A715 PolarHBondContact ND2-O 3.2Å; A715-E717 PolarHBondContact O-N 3.4Å
716	P	28.4	Very low	35.1	Very low	107 Å²	107	94.4 Å²	94.4	70%	0.695	51%	0.511	S	S	*	.			trans	-77.1	112.1	-167.3	29	-35.3	0	0	0	113	T718	P716-T718 HydrophobicContact CB-CG2 4.1Å; P716-T718 PolarHBondContact O-N 3.42Å
717	E	28.3	Very low	37.3	Very low	98 Å²	98	91.2 Å²	91.2	46%	0.458	49%	0.491	S	S	.	.			trans	-78.6	58.4	171.6	-71	171.6	123.8	0	0	111	N85 K90 A715 L719	N85-E717 PolarHBondContact N-OE2 3.45Å; N85-E717 PolarHBondContact ND2-OE2 3.44Å; K90-E717 IonicContact NZ-OE1 3.86Å; K90-E717 PolarHBondContact NZ-OE1 2.91Å; A715-E717 PolarHBondContact O-N 3.4Å; E717-L719 PolarHBondContact O-N 2.88Å
718	T	35.6	Very low	39.3	Very low	60 Å²	60	90.2 Å²	90.2	37%	0.368	49%	0.485	S	S	.	.			trans	-72.5	41.8	-176.7	42.8	0	0	0	0	114.8	P716 A720	P716-T718 HydrophobicContact CB-CG2 4.1Å; P716-T718 PolarHBondContact O-N 3.42Å; T718-A720 PolarHBondContact O-N 3.45Å
719	L	43.2	Very low	41.4	Very low	127 Å²	127	82.8 Å²	82.8	67%	0.665	45%	0.451	S	S	*	.	H	α-helix	trans	-71.3	-30.8	-173.6	-150.1	78.5	0	0	0	113.5	E717 E723	E717-L719 PolarHBondContact O-N 2.88Å; L719-E723 VanDerWaalsContact O-CB 3.3Å; L719-E723 WeakPolarHBondContact O-CB 3.33Å; L719-E723 PolarHBondContact O-N 3.02Å
720	A	45.6	Very low	43.8	Very low	58 Å²	58	76.6 Å²	76.6	48%	0.479	42%	0.418	S	S	.	.	H	α-helix	trans	-63.6	-50.9	-176.2	0	0	0	0	0	112.5	T718 I722 E723 E724	T718-A720 PolarHBondContact O-N 3.45Å; A720-I722 VanDerWaalsContact C-N 3.32Å; A720-I722 PolarHBondContact O-N 2.98Å; A720-E723 CarbonylContact O-C 3.57Å; A720-E723 WeakPolarHBondContact O-CA 3.28Å; A720-E723 WeakPolarHBondContact O-CB 3.13Å; A720-E723 PolarHBondContact O-N 2.67Å; A720-E723 VanDerWaalsContact O-N 3.08Å; A720-E724 PolarHBondContact O-N 2.9Å
721	E	46	Very low	46.4	Very low	51 Å²	51	70.1 Å²	70.1	24%	0.238	39%	0.394	C	S	.	.	H	α-helix	trans	-61.2	-40.7	-178.9	-64.8	167.4	152.3	0	0	111.2	K572 E724 I725	K572-E721 IonicContact NZ-OE1 2.76Å; K572-E721 PolarHBondContact NZ-OE1 3.06Å; K572-E721 IonicContact NZ-OE2 3.39Å; K572-E721 PolarHBondContact NZ-OE2 3.23Å; E721-E724 PolarHBondContact O-N 2.91Å; E721-I725 WeakPolarHBondContact O-CD1 3.49Å; E721-I725 WeakPolarHBondContact O-CG1 3.13Å; E721-I725 PolarHBondContact O-N 2.96Å
722	I	44.5	Very low	48.6	Very low	74 Å²	74	67.9 Å²	67.9	38%	0.379	37%	0.367	S	S	.	.	H	α-helix	trans	-63.5	-41.7	175.2	-65.1	174.9	0	0	0	111.2	L657 A720 I725 R726	L657-I722 HydrophobicContact CD2-CG2 4.25Å; A720-I722 VanDerWaalsContact C-N 3.32Å; A720-I722 PolarHBondContact O-N 2.98Å; I722-I725 PolarHBondContact O-N 3.16Å; I722-R726 WeakPolarHBondContact O-CB 3.23Å; I722-R726 PolarHBondContact O-N 3.26Å
723	E	56.2	Low	51.2	Low	55 Å²	55	60.9 Å²	60.9	26%	0.257	33%	0.334	S	S	.	.	H	α-helix	trans	-69.2	-33.7	177.4	173.7	61.2	-168	0	0	112.4	L719 A720 R726 K727	L719-E723 VanDerWaalsContact O-CB 3.3Å; L719-E723 WeakPolarHBondContact O-CB 3.33Å; L719-E723 PolarHBondContact O-N 3.02Å; A720-E723 CarbonylContact O-C 3.57Å; A720-E723 WeakPolarHBondContact O-CA 3.28Å; A720-E723 WeakPolarHBondContact O-CB 3.13Å; A720-E723 PolarHBondContact O-N 2.67Å; A720-E723 VanDerWaalsContact O-N 3.08Å; E723-R726 IonicContact OE1-CZ 2.89Å; E723-R726 IonicContact OE1-NE 3.76Å; E723-R726 IonicContact OE1-NH2 2.76Å; E723-R726 PolarHBondContact OE1-NH2 3.27Å; E723-R726 IonicContact OE2-CZ 3.91Å; E723-R726 VanDerWaalsContact OE2-CZ 3.24Å; E723-R726 IonicContact OE2-NE 2.76Å; E723-R726 PolarHBondContact OE2-NE 3.04Å; E723-R726 IonicContact OE2-NH2 3.15Å; E723-R726 PolarHBondContact OE2-NH2 3.08Å; E723-K727 WeakPolarHBondContact O-CD 3.25Å; E723-K727 VanDerWaalsContact O-CG 3.24Å; E723-K727 WeakPolarHBondContact O-CG 3.49Å; E723-K727 PolarHBondContact O-N 2.99Å; E723-K727 WeakPolarHBondContact OE1-CE 3.39Å; E723-K727 IonicContact OE1-NZ 3.54Å
724	E	57.9	Low	54	Low	81 Å²	81	54.7 Å²	54.7	38%	0.379	30%	0.302	S	S	.	.	H	α-helix	trans	-63.4	-50.2	168.8	-71.6	-155	110.1	0	0	112.1	A720 E721 R726 K727 L728	A720-E724 PolarHBondContact O-N 2.9Å; E721-E724 PolarHBondContact O-N 2.91Å; E724-R726 PolarHBondContact O-N 3.26Å; E724-K727 WeakPolarHBondContact O-CB 3.47Å; E724-K727 PolarHBondContact O-N 3.32Å; E724-K727 VanDerWaalsContact O-N 3.08Å; E724-L728 WeakPolarHBondContact O-CB 3.28Å; E724-L728 WeakPolarHBondContact O-CG 3.29Å; E724-L728 PolarHBondContact O-N 3.36Å
725	I	52.6	Low	56.5	Low	11 Å²	11	55.9 Å²	55.9	6%	0.056	31%	0.305	C	S	.	.	H	α-helix	trans	-59.5	-38.1	178.7	-63.7	152	0	0	0	110.5	I568 I614 F618 L657 E721 I722 S729	I568-I725 HydrophobicContact CD1-CD1 3.23Å; I568-I725 HydrophobicContact CD1-CG1 4.19Å; I568-I725 HydrophobicContact CG1-CD1 4.36Å; I614-I725 HydrophobicContact CD1-CG1 4.46Å; I614-I725 HydrophobicContact CG2-CG1 3.89Å; F618-I725 HydrophobicContact CE2-CG2 3.94Å; F618-I725 HydrophobicContact CZ-CG2 3.75Å; L657-I725 HydrophobicContact CD1-CB 4.19Å; L657-I725 HydrophobicContact CD1-CG2 3.58Å; E721-I725 WeakPolarHBondContact O-CD1 3.49Å; E721-I725 WeakPolarHBondContact O-CG1 3.13Å; E721-I725 PolarHBondContact O-N 2.96Å; I722-I725 PolarHBondContact O-N 3.16Å; I725-S729 VanDerWaalsContact O-CB 3.25Å; I725-S729 WeakPolarHBondContact O-CB 3.37Å; I725-S729 PolarHBondContact O-N 3.12Å; I725-S729 PolarHBondContact O-OG 3.4Å
726	R	62.8	Low	58.9	Low	36 Å²	36	53.1 Å²	53.1	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-46.6	174.4	-167.3	-177.3	71.1	83.7	10	111.9	A654 L657 I722 E723 E724 Y730	A654-R726 HydrophobicContact CB-CG 4.37Å; A654-R726 WeakPolarHBondContact O-CG 3.4Å; L657-R726 HydrophobicContact CB-CB 4.06Å; L657-R726 HydrophobicContact CB-CG 4.04Å; L657-R726 WeakPolarHBondContact O-CD 3.37Å; I722-R726 WeakPolarHBondContact O-CB 3.23Å; I722-R726 PolarHBondContact O-N 3.26Å; E723-R726 IonicContact OE1-CZ 2.89Å; E723-R726 IonicContact OE1-NE 3.76Å; E723-R726 IonicContact OE1-NH2 2.76Å; E723-R726 PolarHBondContact OE1-NH2 3.27Å; E723-R726 IonicContact OE2-CZ 3.91Å; E723-R726 VanDerWaalsContact OE2-CZ 3.24Å; E723-R726 IonicContact OE2-NE 2.76Å; E723-R726 PolarHBondContact OE2-NE 3.04Å; E723-R726 IonicContact OE2-NH2 3.15Å; E723-R726 PolarHBondContact OE2-NH2 3.08Å; E724-R726 PolarHBondContact O-N 3.26Å; R726-Y730 HydrophobicContact CG-CD2 4.31Å; R726-Y730 HydrophobicContact CG-CE2 4.02Å; R726-Y730 VanDerWaalsContact O-CD2 3.28Å; R726-Y730 WeakPolarHBondContact O-CD2 3.42Å; R726-Y730 PolarHBondContact O-N 2.87Å; R726-Y730 VanDerWaalsContact O-N 3.12Å
727	K	68.6	Low	61.6	Low	82 Å²	82	48 Å²	48	36%	0.357	25%	0.247	S	C	.	.	H	α-helix	trans	-61.2	-50.4	175	-69.8	159.8	-174.9	160	0	111.3	E723 E724 S729 Y730 T731	E723-K727 WeakPolarHBondContact O-CD 3.25Å; E723-K727 VanDerWaalsContact O-CG 3.24Å; E723-K727 WeakPolarHBondContact O-CG 3.49Å; E723-K727 PolarHBondContact O-N 2.99Å; E723-K727 WeakPolarHBondContact OE1-CE 3.39Å; E723-K727 IonicContact OE1-NZ 3.54Å; E724-K727 WeakPolarHBondContact O-CB 3.47Å; E724-K727 PolarHBondContact O-N 3.32Å; E724-K727 VanDerWaalsContact O-N 3.08Å; K727-S729 VanDerWaalsContact C-N 3.32Å; K727-S729 PolarHBondContact O-N 3.03Å; K727-Y730 PolarHBondContact O-N 3.19Å; K727-Y730 VanDerWaalsContact O-N 3.16Å; K727-T731 PolarHBondContact O-N 2.61Å; K727-T731 PolarHBondContact O-OG1 2.83Å
728	L	65.3	Low	64.2	Low	30 Å²	30	46.4 Å²	46.4	16%	0.157	24%	0.242	C	C	.	.	H	α-helix	trans	-56.5	-44.7	178.5	-78.6	169.5	0	0	0	111.9	I614 E615 E724 T731 L732	I614-L728 HydrophobicContact CG2-CD1 4.03Å; E615-L728 HydrophobicContact CB-CD1 4.38Å; E615-L728 HydrophobicContact CB-CD2 4.15Å; E615-L728 HydrophobicContact CG-CD2 3.85Å; E724-L728 WeakPolarHBondContact O-CB 3.28Å; E724-L728 WeakPolarHBondContact O-CG 3.29Å; E724-L728 PolarHBondContact O-N 3.36Å; L728-T731 VanDerWaalsContact CA-OG1 3.32Å; L728-T731 WeakPolarHBondContact CA-OG1 3.46Å; L728-T731 PolarHBondContact O-N 3.21Å; L728-T731 PolarHBondContact O-OG1 3.23Å; L728-L732 WeakPolarHBondContact O-CB 3.3Å; L728-L732 WeakPolarHBondContact O-CD1 3.38Å; L728-L732 VanDerWaalsContact O-CG 3.28Å; L728-L732 WeakPolarHBondContact O-CG 3.39Å; L728-L732 PolarHBondContact O-N 2.96Å
729	S	65.2	Low	66.3	Low	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-44	177.2	-59.6	0	0	0	0	111.5	F650 L653 I725 K727 A733	F650-S729 WeakPolarHBondContact CB-O 3.37Å; L653-S729 WeakPolarHBondContact CD2-OG 3.4Å; I725-S729 VanDerWaalsContact O-CB 3.25Å; I725-S729 WeakPolarHBondContact O-CB 3.37Å; I725-S729 PolarHBondContact O-N 3.12Å; I725-S729 PolarHBondContact O-OG 3.4Å; K727-S729 VanDerWaalsContact C-N 3.32Å; K727-S729 PolarHBondContact O-N 3.03Å; S729-A733 WeakPolarHBondContact O-CB 3.15Å; S729-A733 PolarHBondContact O-N 3.38Å; S729-A733 VanDerWaalsContact O-N 3.09Å
730	Y	76.1	Confident	68.1	Low	8 Å²	8	42.8 Å²	42.8	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-64.1	-41.7	173.2	-79.2	-58.2	0	0	0	113.1	Y651 A654 T655 R726 K727 A733 D734 L1082 L1083	Y651-Y730 AromaticContact CD2-CD1 3.76Å; Y651-Y730 HydrophobicContact CD2-CD1 3.76Å; Y651-Y730 AromaticContact CD2-CE1 3.53Å; Y651-Y730 HydrophobicContact CD2-CE1 3.53Å; Y651-Y730 HydrophobicContact CE2-CD1 4.04Å; Y651-Y730 AromaticContact CE2-CE1 3.51Å; Y651-Y730 HydrophobicContact CE2-CE1 3.51Å; Y651-Y730 HydrophobicContact CG-CE1 4.5Å; A654-Y730 HydrophobicContact CB-CD1 3.64Å; A654-Y730 HydrophobicContact CB-CD2 3.48Å; A654-Y730 VanDerWaalsContact CB-CD2 3.48Å; A654-Y730 HydrophobicContact CB-CE1 3.58Å; A654-Y730 HydrophobicContact CB-CE2 3.43Å; A654-Y730 VanDerWaalsContact CB-CE2 3.43Å; A654-Y730 HydrophobicContact CB-CG 3.57Å; A654-Y730 VanDerWaalsContact CB-CZ 3.47Å; T655-Y730 PolarHBondContact OG1-OH 2.81Å; R726-Y730 HydrophobicContact CG-CD2 4.31Å; R726-Y730 HydrophobicContact CG-CE2 4.02Å; R726-Y730 VanDerWaalsContact O-CD2 3.28Å; R726-Y730 WeakPolarHBondContact O-CD2 3.42Å; R726-Y730 PolarHBondContact O-N 2.87Å; R726-Y730 VanDerWaalsContact O-N 3.12Å; K727-Y730 PolarHBondContact O-N 3.19Å; K727-Y730 VanDerWaalsContact O-N 3.16Å; Y730-A733 PolarHBondContact O-N 3.16Å; Y730-D734 PolarHBondContact O-N 2.75Å; Y730-L1082 HydrophobicContact CD1-CB 4.08Å; Y730-L1083 HydrophobicContact CD2-CD2 3.41Å; Y730-L1083 VanDerWaalsContact CD2-CD2 3.41Å; Y730-L1083 HydrophobicContact CD2-CG 3.94Å; Y730-L1083 HydrophobicContact CE2-CD2 4.08Å; Y730-L1083 HydrophobicContact CG-CD2 3.87Å; Y730-L1083 HydrophobicContact CG-CG 3.85Å
731	T	77	Confident	70	Confident	57 Å²	57	40.3 Å²	40.3	35%	0.35	20%	0.196	S	C	.	.	H	α-helix	trans	-67.6	-36.4	179.7	46.5	0	0	0	0	112.6	K727 L728 D734 Q735	K727-T731 PolarHBondContact O-N 2.61Å; K727-T731 PolarHBondContact O-OG1 2.83Å; L728-T731 VanDerWaalsContact CA-OG1 3.32Å; L728-T731 WeakPolarHBondContact CA-OG1 3.46Å; L728-T731 PolarHBondContact O-N 3.21Å; L728-T731 PolarHBondContact O-OG1 3.23Å; T731-D734 PolarHBondContact O-N 3.25Å; T731-Q735 WeakPolarHBondContact O-CB 3.46Å; T731-Q735 WeakPolarHBondContact O-CG 3.16Å; T731-Q735 PolarHBondContact O-N 3.01Å
732	L	68.3	Low	71.6	Confident	17 Å²	17	44.4 Å²	44.4	9%	0.089	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-44.2	173.8	-72.1	162.6	0	0	0	111.4	F618 F650 L728 D734 Q735 I736	F618-L732 HydrophobicContact CB-CD1 3.84Å; F618-L732 HydrophobicContact CD1-CD1 3.45Å; F618-L732 VanDerWaalsContact CD1-CD1 3.45Å; F618-L732 HydrophobicContact CE1-CD1 4.29Å; F618-L732 HydrophobicContact CG-CD1 3.94Å; F650-L732 HydrophobicContact CD1-CD1 4.42Å; F650-L732 HydrophobicContact CD2-CB 4.05Å; F650-L732 HydrophobicContact CE1-CD1 4.15Å; F650-L732 HydrophobicContact CE2-CB 4.3Å; F650-L732 HydrophobicContact CG-CB 4.2Å; F650-L732 HydrophobicContact CZ-CD1 4.27Å; L728-L732 WeakPolarHBondContact O-CB 3.3Å; L728-L732 WeakPolarHBondContact O-CD1 3.38Å; L728-L732 VanDerWaalsContact O-CG 3.28Å; L728-L732 WeakPolarHBondContact O-CG 3.39Å; L728-L732 PolarHBondContact O-N 2.96Å; L732-D734 VanDerWaalsContact C-N 3.27Å; L732-D734 PolarHBondContact O-N 3.45Å; L732-Q735 PolarHBondContact O-N 3.4Å; L732-I736 WeakPolarHBondContact O-CD1 3.4Å; L732-I736 VanDerWaalsContact O-CG1 3.22Å; L732-I736 WeakPolarHBondContact O-CG1 3.2Å; L732-I736 PolarHBondContact O-N 3.38Å
733	A	77.9	Confident	73.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.8	-39.7	174.8	0	0	0	0	0	111.9	S647 F650 S729 Y730 I737 L1082	S647-A733 PolarHBondContact OG-O 2.71Å; F650-A733 HydrophobicContact CB-CB 3.88Å; S729-A733 WeakPolarHBondContact O-CB 3.15Å; S729-A733 PolarHBondContact O-N 3.38Å; S729-A733 VanDerWaalsContact O-N 3.09Å; Y730-A733 PolarHBondContact O-N 3.16Å; A733-I737 WeakPolarHBondContact O-CG1 3.46Å; A733-I737 PolarHBondContact O-N 3.25Å; A733-I737 VanDerWaalsContact O-N 3.16Å; A733-L1082 VanDerWaalsContact C-CD1 3.46Å; A733-L1082 HydrophobicContact CB-CD1 3.4Å
734	D	82.6	Confident	74.3	Confident	28 Å²	28	41.6 Å²	41.6	15%	0.15	20%	0.203	C	C	.	.	H	α-helix	trans	-72.8	-42.2	-179.2	-142.5	10	0	0	0	111.2	Y730 T731 L732 I736 I737 D738 R943 L1082	Y730-D734 PolarHBondContact O-N 2.75Å; T731-D734 PolarHBondContact O-N 3.25Å; L732-D734 VanDerWaalsContact C-N 3.27Å; L732-D734 PolarHBondContact O-N 3.45Å; D734-I736 VanDerWaalsContact C-N 3.33Å; D734-I736 PolarHBondContact O-N 2.87Å; D734-I737 PolarHBondContact O-N 3.46Å; D734-D738 PolarHBondContact O-N 2.91Å; D734-R943 IonicContact OD1-CZ 2.67Å; D734-R943 VanDerWaalsContact OD1-CZ 3.24Å; D734-R943 IonicContact OD1-NH1 2.82Å; D734-R943 PolarHBondContact OD1-NH1 3.36Å; D734-R943 IonicContact OD1-NH2 3.23Å; D734-R943 PolarHBondContact OD1-NH2 3.42Å; D734-R943 IonicContact OD2-NH2 3.73Å; D734-L1082 HydrophobicContact CB-CD1 3.98Å
735	Q	80.1	Confident	75.4	Confident	122 Å²	122	38.6 Å²	38.6	57%	0.57	19%	0.19	S	C	*	.	H	α-helix	trans	-58.7	-41.7	174.1	-76.7	170.6	-0.8	0	0	112.3	T731 L732 D738 Q739	T731-Q735 WeakPolarHBondContact O-CB 3.46Å; T731-Q735 WeakPolarHBondContact O-CG 3.16Å; T731-Q735 PolarHBondContact O-N 3.01Å; L732-Q735 PolarHBondContact O-N 3.4Å; Q735-D738 PolarHBondContact O-N 2.85Å; Q735-Q739 WeakPolarHBondContact O-CB 3.44Å; Q735-Q739 PolarHBondContact O-N 3.47Å
736	I	76	Confident	76.6	Confident	13 Å²	13	45.2 Å²	45.2	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-67.4	-39.4	176.9	-64.9	159.6	0	0	0	110.9	Q643 L646 F650 L732 D734 Q739 L740	Q643-I736 HydrophobicContact CB-CG2 4.02Å; Q643-I736 VanDerWaalsContact O-CG2 3.28Å; Q643-I736 WeakPolarHBondContact O-CG2 3.12Å; L646-I736 HydrophobicContact CB-CD1 4.33Å; L646-I736 HydrophobicContact CD2-CD1 3.78Å; L646-I736 HydrophobicContact CG-CD1 3.73Å; F650-I736 HydrophobicContact CD2-CD1 3.74Å; F650-I736 HydrophobicContact CE2-CD1 3.94Å; L732-I736 WeakPolarHBondContact O-CD1 3.4Å; L732-I736 VanDerWaalsContact O-CG1 3.22Å; L732-I736 WeakPolarHBondContact O-CG1 3.2Å; L732-I736 PolarHBondContact O-N 3.38Å; D734-I736 VanDerWaalsContact C-N 3.33Å; D734-I736 PolarHBondContact O-N 2.87Å; I736-Q739 PolarHBondContact O-N 3.1Å; I736-L740 HydrophobicContact CG2-CD1 4.27Å; I736-L740 WeakPolarHBondContact O-CB 3.49Å; I736-L740 PolarHBondContact O-N 2.82Å
737	I	83.5	Confident	77.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-46.8	174.4	-74.8	172.2	0	0	0	110.7	S647 A733 D734 Q739 L740 I741 L936 I939 L1082	S647-I737 WeakPolarHBondContact OG-CG1 3.43Å; A733-I737 WeakPolarHBondContact O-CG1 3.46Å; A733-I737 PolarHBondContact O-N 3.25Å; A733-I737 VanDerWaalsContact O-N 3.16Å; D734-I737 PolarHBondContact O-N 3.46Å; I737-Q739 VanDerWaalsContact C-N 3.33Å; I737-Q739 PolarHBondContact O-N 3.1Å; I737-L740 WeakPolarHBondContact O-CB 3.29Å; I737-L740 PolarHBondContact O-N 2.55Å; I737-I741 HydrophobicContact CG2-CD1 3.4Å; I737-I741 VanDerWaalsContact CG2-CD1 3.4Å; I737-I741 HydrophobicContact CG2-CG1 4.29Å; I737-I741 WeakPolarHBondContact O-CB 3.15Å; I737-I741 WeakPolarHBondContact O-CD1 3.36Å; I737-I741 VanDerWaalsContact O-CG1 3.24Å; I737-I741 WeakPolarHBondContact O-CG1 3.23Å; I737-I741 PolarHBondContact O-N 2.73Å; I737-L936 HydrophobicContact CD1-CD2 3.48Å; I737-L936 VanDerWaalsContact CD1-CD2 3.48Å; I737-L936 HydrophobicContact CD1-CG 3.8Å; I737-L936 HydrophobicContact CG1-CD2 3.87Å; I737-I939 HydrophobicContact CD1-CG2 4.46Å; I737-I939 HydrophobicContact CG2-CG2 4.37Å; I737-L1082 HydrophobicContact CD1-CD1 3.88Å; I737-L1082 HydrophobicContact CD1-CD2 3.96Å; I737-L1082 HydrophobicContact CD1-CG 4.21Å
738	D	83.5	Confident	77.7	Confident	65 Å²	65	41.3 Å²	41.3	35%	0.348	21%	0.209	S	C	.	.	H	α-helix	trans	-68.3	-31.2	179.5	-79.3	-12.7	0	0	0	112.6	D734 Q735 K742 R943	D734-D738 PolarHBondContact O-N 2.91Å; Q735-D738 PolarHBondContact O-N 2.85Å; D738-K742 WeakPolarHBondContact O-CB 3.22Å; D738-K742 VanDerWaalsContact O-CG 3.23Å; D738-K742 WeakPolarHBondContact O-CG 3.3Å; D738-K742 PolarHBondContact O-N 3.16Å; D738-R943 IonicContact OD1-CZ 2.74Å; D738-R943 IonicContact OD1-NH1 2.8Å; D738-R943 PolarHBondContact OD1-NH1 3.34Å; D738-R943 IonicContact OD2-NH1 3.51Å
739	Q	80.7	Confident	78.5	Confident	110 Å²	110	42.4 Å²	42.4	51%	0.514	22%	0.219	S	C	.	.	H	α-helix	trans	-65.2	-46.5	170.2	-170.8	176.6	25.5	0	0	111.3	Q735 I736 I737 K742 T743	Q735-Q739 WeakPolarHBondContact O-CB 3.44Å; Q735-Q739 PolarHBondContact O-N 3.47Å; I736-Q739 PolarHBondContact O-N 3.1Å; I737-Q739 VanDerWaalsContact C-N 3.33Å; I737-Q739 PolarHBondContact O-N 3.1Å; Q739-K742 PolarHBondContact O-N 3.33Å; Q739-T743 PolarHBondContact O-N 3.08Å; Q739-T743 PolarHBondContact O-OG1 3.01Å
740	L	81	Confident	79	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-40.8	175.3	-86.2	166.9	0	0	0	112.7	I640 Q643 F644 I736 I737 T743 T744 F940	I640-L740 HydrophobicContact CB-CD2 4.37Å; I640-L740 HydrophobicContact CG1-CD2 4.26Å; I640-L740 HydrophobicContact CG2-CD2 4.09Å; Q643-L740 HydrophobicContact CB-CD1 3.7Å; Q643-L740 HydrophobicContact CB-CD2 3.93Å; Q643-L740 HydrophobicContact CB-CG 3.86Å; F644-L740 HydrophobicContact CD1-CD1 3.6Å; F644-L740 HydrophobicContact CE1-CD1 3.72Å; F644-L740 HydrophobicContact CG-CD1 4.03Å; F644-L740 HydrophobicContact CZ-CD1 4.27Å; I736-L740 HydrophobicContact CG2-CD1 4.27Å; I736-L740 WeakPolarHBondContact O-CB 3.49Å; I736-L740 PolarHBondContact O-N 2.82Å; I737-L740 WeakPolarHBondContact O-CB 3.29Å; I737-L740 PolarHBondContact O-N 2.55Å; L740-T743 PolarHBondContact O-OG1 3.38Å; L740-T743 VanDerWaalsContact O-OG1 3.06Å; L740-T744 WeakPolarHBondContact O-CB 3.49Å; L740-T744 VanDerWaalsContact O-CG2 3.28Å; L740-T744 WeakPolarHBondContact O-CG2 3.34Å; L740-T744 PolarHBondContact O-N 3Å; L740-T744 PolarHBondContact O-OG1 3.32Å; L740-F940 HydrophobicContact CB-CE2 4.19Å
741	I	83.8	Confident	79	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-66.3	-43.2	176.9	-69.7	158.8	0	0	0	109.9	I737 T744 C745 F940 R943 N947	I737-I741 HydrophobicContact CG2-CD1 3.4Å; I737-I741 VanDerWaalsContact CG2-CD1 3.4Å; I737-I741 HydrophobicContact CG2-CG1 4.29Å; I737-I741 WeakPolarHBondContact O-CB 3.15Å; I737-I741 WeakPolarHBondContact O-CD1 3.36Å; I737-I741 VanDerWaalsContact O-CG1 3.24Å; I737-I741 WeakPolarHBondContact O-CG1 3.23Å; I737-I741 PolarHBondContact O-N 2.73Å; I741-T744 WeakPolarHBondContact CA-OG1 3.49Å; I741-T744 PolarHBondContact O-N 3.15Å; I741-T744 PolarHBondContact O-OG1 3.02Å; I741-C745 VanDerWaalsContact O-CB 3.28Å; I741-C745 WeakPolarHBondContact O-CB 3.26Å; I741-C745 PolarHBondContact O-N 3.24Å; I741-C745 PolarHBondContact O-SG 2.75Å; I741-F940 HydrophobicContact CD1-CD2 4.31Å; I741-F940 HydrophobicContact CG1-CD2 3.61Å; I741-F940 HydrophobicContact CG1-CE2 3.59Å; I741-R943 HydrophobicContact CD1-CB 3.48Å; I741-R943 VanDerWaalsContact CD1-CB 3.48Å; I741-R943 VanDerWaalsContact CD1-CD 3.42Å; I741-R943 HydrophobicContact CD1-CG 4.08Å; I741-R943 HydrophobicContact CG1-CB 4.38Å; I741-N947 WeakPolarHBondContact CG2-ND2 3.2Å
742	K	81.4	Confident	79.1	Confident	138 Å²	138	48.3 Å²	48.3	60%	0.6	25%	0.249	S	C	*	.	H	α-helix	trans	-59.8	-50.2	176	-75.8	169.4	-177.2	179	0	111.4	D738 Q739 T744 C745 H746	D738-K742 WeakPolarHBondContact O-CB 3.22Å; D738-K742 VanDerWaalsContact O-CG 3.23Å; D738-K742 WeakPolarHBondContact O-CG 3.3Å; D738-K742 PolarHBondContact O-N 3.16Å; Q739-K742 PolarHBondContact O-N 3.33Å; K742-T744 PolarHBondContact O-N 2.9Å; K742-C745 PolarHBondContact O-N 2.69Å; K742-H746 PolarHBondContact O-N 2.93Å; K742-H746 VanDerWaalsContact O-N 3.09Å; K742-H746 PolarHBondContact O-ND1 2.84Å
743	T	76.9	Confident	79.4	Confident	69 Å²	69	49.1 Å²	49.1	42%	0.423	26%	0.256	S	S	.	.	H	α-helix	trans	-64.1	-41.9	-179.9	54	0	0	0	0	112.5	Q739 L740 H746 S747	Q739-T743 PolarHBondContact O-N 3.08Å; Q739-T743 PolarHBondContact O-OG1 3.01Å; L740-T743 PolarHBondContact O-OG1 3.38Å; L740-T743 VanDerWaalsContact O-OG1 3.06Å; T743-H746 PolarHBondContact O-N 3.02Å; T743-S747 PolarHBondContact O-N 3.41Å; T743-S747 PolarHBondContact O-OG 3.02Å
744	T	80	Confident	79.2	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-71	-31.8	178.5	53.9	0	0	0	0	113.2	L740 I741 K742 S747 I748 W790 L794 F940	L740-T744 WeakPolarHBondContact O-CB 3.49Å; L740-T744 VanDerWaalsContact O-CG2 3.28Å; L740-T744 WeakPolarHBondContact O-CG2 3.34Å; L740-T744 PolarHBondContact O-N 3Å; L740-T744 PolarHBondContact O-OG1 3.32Å; I741-T744 WeakPolarHBondContact CA-OG1 3.49Å; I741-T744 PolarHBondContact O-N 3.15Å; I741-T744 PolarHBondContact O-OG1 3.02Å; K742-T744 PolarHBondContact O-N 2.9Å; T744-S747 PolarHBondContact O-N 3.03Å; T744-S747 PolarHBondContact O-OG 3.16Å; T744-I748 WeakPolarHBondContact O-CB 3.28Å; T744-I748 WeakPolarHBondContact O-CG2 3.45Å; T744-I748 PolarHBondContact O-N 2.94Å; T744-W790 HydrophobicContact CG2-CH2 4.45Å; T744-W790 HydrophobicContact CG2-CZ2 4.32Å; T744-W790 WeakPolarHBondContact O-CZ2 3.48Å; T744-L794 HydrophobicContact CG2-CD1 3.69Å; T744-F940 HydrophobicContact CG2-CZ 4.25Å
745	C	79.5	Confident	78.9	Confident	17 Å²	17	48.6 Å²	48.6	12%	0.115	26%	0.255	C	S	.	.	H	α-helix	trans	-67.5	-38.7	171.6	-67.1	0	0	0	0	111.9	I741 K742 S749 N947	I741-C745 VanDerWaalsContact O-CB 3.28Å; I741-C745 WeakPolarHBondContact O-CB 3.26Å; I741-C745 PolarHBondContact O-N 3.24Å; I741-C745 PolarHBondContact O-SG 2.75Å; K742-C745 PolarHBondContact O-N 2.69Å; C745-S749 WeakPolarHBondContact O-CB 3.39Å; C745-S749 PolarHBondContact O-N 3.01Å; C745-S749 VanDerWaalsContact O-N 3.08Å; C745-N947 VanDerWaalsContact SG-CB 3.57Å; C745-N947 PolarHBondContact SG-ND2 3Å
746	H	78	Confident	78.6	Confident	151 Å²	151	43.4 Å²	43.4	70%	0.699	23%	0.23	S	C	*	.	H	α-helix	trans	-66.5	-38.5	175.3	-74.4	65.8	0	0	0	112.1	K742 T743	K742-H746 PolarHBondContact O-N 2.93Å; K742-H746 VanDerWaalsContact O-N 3.09Å; K742-H746 PolarHBondContact O-ND1 2.84Å; T743-H746 PolarHBondContact O-N 3.02Å
747	S	75.2	Confident	78.4	Confident	33 Å²	33	47.2 Å²	47.2	23%	0.231	25%	0.248	C	C	.	.	H	α-helix	trans	-81.8	-22.7	179.6	61.3	0	0	0	0	114.7	T743 T744 Y751 W790	T743-S747 PolarHBondContact O-N 3.41Å; T743-S747 PolarHBondContact O-OG 3.02Å; T744-S747 PolarHBondContact O-N 3.03Å; T744-S747 PolarHBondContact O-OG 3.16Å; S747-Y751 WeakPolarHBondContact O-CD2 3.23Å; S747-Y751 WeakPolarHBondContact O-CE2 3.49Å; S747-W790 WeakPolarHBondContact OG-CZ2 3.33Å
748	I	80.2	Confident	77	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-83.3	-26.1	172.3	-154.3	-174.2	0	0	0	113	T744 P750 Y751 I752 L787 W790 L791 I948	T744-I748 WeakPolarHBondContact O-CB 3.28Å; T744-I748 WeakPolarHBondContact O-CG2 3.45Å; T744-I748 PolarHBondContact O-N 2.94Å; I748-P750 VanDerWaalsContact C-CD 3.49Å; I748-Y751 WeakPolarHBondContact O-CA 3.4Å; I748-Y751 WeakPolarHBondContact O-CB 3.4Å; I748-Y751 PolarHBondContact O-N 3.17Å; I748-I752 HydrophobicContact CG1-CG1 4.38Å; I748-I752 HydrophobicContact CG2-CD1 3.89Å; I748-I752 HydrophobicContact CG2-CG1 4.2Å; I748-I752 PolarHBondContact O-N 3.43Å; I748-L787 HydrophobicContact CD1-CD1 3.86Å; I748-L787 HydrophobicContact CG1-CD1 3.73Å; I748-W790 HydrophobicContact CB-CE3 4.31Å; I748-W790 HydrophobicContact CB-CH2 3.69Å; I748-W790 HydrophobicContact CB-CZ2 3.94Å; I748-W790 HydrophobicContact CB-CZ3 3.9Å; I748-W790 HydrophobicContact CD1-CE3 3.94Å; I748-W790 HydrophobicContact CD1-CH2 4.06Å; I748-W790 HydrophobicContact CD1-CZ3 3.47Å; I748-W790 VanDerWaalsContact CD1-CZ3 3.47Å; I748-W790 HydrophobicContact CG1-CD2 4.33Å; I748-W790 HydrophobicContact CG1-CE3 3.82Å; I748-W790 HydrophobicContact CG1-CH2 4.01Å; I748-W790 HydrophobicContact CG1-CZ2 4.49Å; I748-W790 HydrophobicContact CG1-CZ3 3.66Å; I748-L791 HydrophobicContact CD1-CD2 4.3Å; I748-I948 HydrophobicContact CD1-CD1 3.89Å; I748-I948 HydrophobicContact CD1-CG1 4.37Å
749	S	80.8	Confident	75	Confident	52 Å²	52	49 Å²	49	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-49.6	-43.1	-174.4	175	0	0	0	0	114.6	C745 Y751 I752	C745-S749 WeakPolarHBondContact O-CB 3.39Å; C745-S749 PolarHBondContact O-N 3.01Å; C745-S749 VanDerWaalsContact O-N 3.08Å; S749-Y751 PolarHBondContact O-N 3.22Å; S749-I752 VanDerWaalsContact O-CA 3.28Å; S749-I752 WeakPolarHBondContact O-CA 3.35Å; S749-I752 PolarHBondContact O-N 2.99Å
750	P	76	Confident	72.9	Confident	97 Å²	97	49.3 Å²	49.3	63%	0.63	28%	0.276	S	S	*	.	H	α-helix	trans	-64.1	-20.7	175.4	-22.9	35.1	0	0	0	114.9	I748	I748-P750 VanDerWaalsContact C-CD 3.49Å
751	Y	76.5	Confident	70.4	Confident	86 Å²	86	56.6 Å²	56.6	34%	0.337	31%	0.31	S	S	.	.	H	α-helix	trans	-98.3	-29.1	-179.5	-53.4	-77.5	0	0	0	112.7	S747 I748 S749 S753 A754 E786	S747-Y751 WeakPolarHBondContact O-CD2 3.23Å; S747-Y751 WeakPolarHBondContact O-CE2 3.49Å; I748-Y751 WeakPolarHBondContact O-CA 3.4Å; I748-Y751 WeakPolarHBondContact O-CB 3.4Å; I748-Y751 PolarHBondContact O-N 3.17Å; S749-Y751 PolarHBondContact O-N 3.22Å; Y751-S753 PolarHBondContact O-N 3.37Å; Y751-A754 VanDerWaalsContact O-CB 3.3Å; Y751-A754 WeakPolarHBondContact O-CB 2.98Å; Y751-A754 PolarHBondContact O-N 2.59Å; Y751-A754 VanDerWaalsContact O-N 3.09Å; Y751-E786 HydrophobicContact CD1-CB 3.89Å; Y751-E786 HydrophobicContact CE1-CB 3.67Å; Y751-E786 HydrophobicContact CE1-CG 4.43Å
752	I	79.2	Confident	67.7	Low	7 Å²	7	62.2 Å²	62.2	4%	0.036	34%	0.34	C	S	.	.	H	α-helix	trans	17.1	-91.9	132.8	-19.3	164.9	0	0	0	116.8	I748 S749 A754 L755 Y756 I948 E951 I952	I748-I752 HydrophobicContact CG1-CG1 4.38Å; I748-I752 HydrophobicContact CG2-CD1 3.89Å; I748-I752 HydrophobicContact CG2-CG1 4.2Å; I748-I752 PolarHBondContact O-N 3.43Å; S749-I752 VanDerWaalsContact O-CA 3.28Å; S749-I752 WeakPolarHBondContact O-CA 3.35Å; S749-I752 PolarHBondContact O-N 2.99Å; I752-A754 PolarHBondContact O-N 3.12Å; I752-A754 VanDerWaalsContact O-N 3.12Å; I752-L755 WeakPolarHBondContact O-CB 3.47Å; I752-L755 PolarHBondContact O-N 2.87Å; I752-L755 VanDerWaalsContact O-N 3.11Å; I752-Y756 HydrophobicContact CG2-CE1 4.1Å; I752-I948 HydrophobicContact CD1-CB 4.43Å; I752-I948 HydrophobicContact CD1-CG1 4.01Å; I752-I948 HydrophobicContact CD1-CG2 4.35Å; I752-E951 HydrophobicContact CD1-CB 4.16Å; I752-E951 HydrophobicContact CD1-CG 4.42Å; I752-I952 HydrophobicContact CG2-CD1 4.05Å; I752-I952 HydrophobicContact CG2-CG1 3.43Å; I752-I952 VanDerWaalsContact CG2-CG1 3.43Å
753	S	75.3	Confident	65.1	Low	33 Å²	33	60 Å²	60	23%	0.231	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-60.5	-23	-169.5	-40	0	0	0	0	113.9	Y751 L755 Y756 Q757	Y751-S753 PolarHBondContact O-N 3.37Å; S753-L755 PolarHBondContact O-N 2.84Å; S753-Y756 PolarHBondContact O-N 2.84Å; S753-Q757 VanDerWaalsContact CB-OE1 3.31Å; S753-Q757 PolarHBondContact O-N 3.28Å
754	A	72.7	Confident	63	Low	13 Å²	13	63 Å²	63	11%	0.107	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-64.4	-10.1	175.8	0	0	0	0	0	113.9	Y751 I752 R784	Y751-A754 VanDerWaalsContact O-CB 3.3Å; Y751-A754 WeakPolarHBondContact O-CB 2.98Å; Y751-A754 PolarHBondContact O-N 2.59Å; Y751-A754 VanDerWaalsContact O-N 3.09Å; I752-A754 PolarHBondContact O-N 3.12Å; I752-A754 VanDerWaalsContact O-N 3.12Å; A754-R784 HydrophobicContact CB-CG 4.34Å; A754-R784 PolarHBondContact O-NE 3.11Å; A754-R784 PolarHBondContact O-NH2 2.95Å
755	L	75.7	Confident	60.5	Low	5 Å²	5	71 Å²	71	3%	0.026	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-80.7	-28.8	171.5	-63.1	172.6	0	0	0	112.7	I752 S753 R784 L787 I952 H971 L972 W978	I752-L755 WeakPolarHBondContact O-CB 3.47Å; I752-L755 PolarHBondContact O-N 2.87Å; I752-L755 VanDerWaalsContact O-N 3.11Å; S753-L755 PolarHBondContact O-N 2.84Å; L755-R784 PolarHBondContact O-NH2 3.14Å; L755-L787 HydrophobicContact CD1-CD2 4.33Å; L755-L787 HydrophobicContact CD2-CD2 3.83Å; L755-L787 HydrophobicContact CG-CD2 3.95Å; L755-I952 HydrophobicContact CD1-CD1 3.79Å; L755-H971 CarbonylContact O-C 3.58Å; L755-H971 VanDerWaalsContact O-O 3.11Å; L755-L972 WeakPolarHBondContact O-CA 3.47Å; L755-W978 HydrophobicContact CD2-CE3 4.03Å; L755-W978 HydrophobicContact CD2-CZ3 4.15Å
756	Y	75.6	Confident	58.1	Low	13 Å²	13	78 Å²	78	5%	0.051	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-25	-171.5	62.7	-106	0	0	0	116.4	I752 S753 I952 T955 V962	I752-Y756 HydrophobicContact CG2-CE1 4.1Å; S753-Y756 PolarHBondContact O-N 2.84Å; Y756-I952 HydrophobicContact CD1-CG1 4.31Å; Y756-I952 HydrophobicContact CD1-CG2 3.93Å; Y756-I952 HydrophobicContact CE1-CG1 4.34Å; Y756-I952 HydrophobicContact CE1-CG2 4.35Å; Y756-T955 PolarHBondContact OH-OG1 3.23Å; Y756-V962 HydrophobicContact CD2-CG1 4.21Å; Y756-V962 HydrophobicContact CD2-CG2 3.79Å; Y756-V962 HydrophobicContact CE2-CG2 3.39Å
757	Q	70.4	Confident	55.7	Low	93 Å²	93	75.6 Å²	75.6	44%	0.435	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-89.2	139.2	174.7	-83.4	171.2	-7.1	0	0	111.9	S753	S753-Q757 VanDerWaalsContact CB-OE1 3.31Å; S753-Q757 PolarHBondContact O-N 3.28Å
758	S	53.6	Low	53.4	Low	60 Å²	60	82.7 Å²	82.7	42%	0.42	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-82.3	147.7	162.5	42.2	0	0	0	0	110.6
759	C	41.5	Very low	51.2	Low	42 Å²	42	88.8 Å²	88.8	28%	0.284	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-71.4	133.3	179.2	-67.3	0	0	0	0	110.6	H761	C759-H761 PolarHBondContact O-N 3.41Å
760	P	37.1	Very low	48.7	Very low	117 Å²	117	93.8 Å²	93.8	76%	0.76	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	57.2	-171.1	34	-38.2	0	0	0	113.7
761	H	29.2	Very low	46.3	Very low	152 Å²	152	98.5 Å²	98.5	70%	0.704	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.5	-11.3	172	-84.6	-44.9	0	0	0	115.7	C759 S763	C759-H761 PolarHBondContact O-N 3.41Å; H761-S763 PolarHBondContact O-N 2.84Å
762	D	27.1	Very low	43.9	Very low	125 Å²	125	102.1 Å²	102.1	67%	0.668	56%	0.556	S	S	*	*			trans	-76	29.7	171.7	-67.7	-54.3	0	0	0	113.3	W780	D762-W780 PolarHBondContact OD2-NE1 3.12Å
763	S	27	Very low	41.4	Very low	90 Å²	90	110.3 Å²	110.3	63%	0.629	59%	0.588	S	S	*	*			trans	-74.3	120.6	167.7	-70.7	0	0	0	0	109.4	H761 L765	H761-S763 PolarHBondContact O-N 2.84Å; S763-L765 PolarHBondContact O-N 2.82Å
764	P	33.4	Very low	38.9	Very low	132 Å²	132	116.6 Å²	116.6	86%	0.857	62%	0.618	S	S	*	*			trans	-72.9	93.2	-167.5	27.9	-35.3	0	0	0	112.5	H766	P764-H766 PolarHBondContact O-N 3.21Å
765	L	27.2	Very low	36.7	Very low	171 Å²	171	120.5 Å²	120.5	90%	0.895	65%	0.65	S	S	*	*			trans	-66.5	97	174.7	-86	167.4	0	0	0	111.8	S763 S767	S763-L765 PolarHBondContact O-N 2.82Å; L765-S767 PolarHBondContact O-N 2.83Å
766	H	28.9	Very low	34.3	Very low	162 Å²	162	124.3 Å²	124.3	75%	0.75	68%	0.677	S	S	*	*			trans	31.6	85.1	153.1	-101.7	-58	0	0	0	118.2	P764 Q768	P764-H766 PolarHBondContact O-N 3.21Å; H766-Q768 PolarHBondContact O-N 3.37Å
767	S	27.6	Very low	32	Very low	101 Å²	101	127.9 Å²	127.9	71%	0.706	70%	0.704	S	S	*	*				40.5	58.4	123.1	69	0	0	0	0	118.3	L765	L765-S767 PolarHBondContact O-N 2.83Å
768	Q	26.7	Very low	30.1	Very low	182 Å²	182	127.3 Å²	127.3	85%	0.85	71%	0.707	S	S	*	*			trans	-127.8	110.2	152.6	-76	-156.7	-44	0	0	110	H766 D770	H766-Q768 PolarHBondContact O-N 3.37Å; Q768-D770 PolarHBondContact O-N 2.97Å; Q768-D770 VanDerWaalsContact O-N 3.11Å
769	P	34	Very low	29	Very low	131 Å²	131	130 Å²	130	85%	0.851	71%	0.713	S	S	*	*			trans	-85.9	77.5	-178.2	34.9	-34.2	0	0	0	111
770	D	27.9	Very low	28.5	Very low	158 Å²	158	134 Å²	134	85%	0.845	72%	0.722	S	S	*	*			trans	-156.7	146.5	158.7	-117.4	-34.6	0	0	0	112.3	Q768	Q768-D770 PolarHBondContact O-N 2.97Å; Q768-D770 VanDerWaalsContact O-N 3.11Å
771	R	26.7	Very low	28.8	Very low	195 Å²	195	132.6 Å²	132.6	74%	0.736	71%	0.712	S	S	*	*			trans	54.9	95.7	-169.5	-74	-171.8	174.9	174	1.6	116.3	Y773	R771-Y773 HydrophobicContact CB-CD2 4.19Å; R771-Y773 HydrophobicContact CB-CE2 4.07Å; R771-Y773 PolarHBondContact O-N 3.45Å
772	I	26.3	Very low	29.5	Very low	163 Å²	163	128 Å²	128	84%	0.836	70%	0.697	S	S	*	*			trans	-63.3	97.5	156.7	-55.8	169	0	0	0	109	L774	I772-L774 HydrophobicContact CG2-CG 4.42Å
773	Y	24.8	Very low	30.7	Very low	178 Å²	178	123.8 Å²	123.8	70%	0.698	68%	0.677	S	S	*	*			trans	-83.4	117.8	155.6	-80.4	-83.5	0	0	0	108.2	R771 A775	R771-Y773 HydrophobicContact CB-CD2 4.19Å; R771-Y773 HydrophobicContact CB-CE2 4.07Å; R771-Y773 PolarHBondContact O-N 3.45Å; Y773-A775 PolarHBondContact O-N 3.27Å
774	L	24.6	Very low	32.4	Very low	165 Å²	165	122.2 Å²	122.2	86%	0.864	66%	0.657	S	S	*	*			trans	-70.4	82.8	169.3	-76.1	166.7	0	0	0	109.1	I772 S776	I772-L774 HydrophobicContact CG2-CG 4.42Å; L774-S776 PolarHBondContact O-N 3.03Å
775	A	24.9	Very low	34	Very low	96 Å²	96	117.6 Å²	117.6	79%	0.793	63%	0.628	S	S	*	*			trans	-57	117	161.1	0	0	0	0	0	107.5	Y773 S777	Y773-A775 PolarHBondContact O-N 3.27Å; A775-S777 PolarHBondContact O-N 3.32Å
776	S	25.8	Very low	36.2	Very low	85 Å²	85	112.7 Å²	112.7	59%	0.594	60%	0.601	S	S	*	*			trans	-65.8	137.3	-177	52.2	0	0	0	0	110.2	L774 T778	L774-S776 PolarHBondContact O-N 3.03Å; S776-T778 PolarHBondContact O-N 2.8Å; S776-T778 PolarHBondContact O-OG1 3.07Å; S776-T778 VanDerWaalsContact O-OG1 3.11Å; S776-T778 PolarHBondContact OG-OG1 3.24Å; S776-T778 VanDerWaalsContact OG-OG1 3.06Å
777	S	26.9	Very low	38.5	Very low	88 Å²	88	105.1 Å²	105.1	62%	0.615	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	36.7	177.8	-173.8	0	0	0	0	113.3	A775	A775-S777 PolarHBondContact O-N 3.32Å
778	T	31.7	Very low	40.9	Very low	81 Å²	81	101.6 Å²	101.6	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-70.2	-33.6	-172.3	29.6	0	0	0	0	112.7	S776 T781 S782	S776-T778 PolarHBondContact O-N 2.8Å; S776-T778 PolarHBondContact O-OG1 3.07Å; S776-T778 VanDerWaalsContact O-OG1 3.11Å; S776-T778 PolarHBondContact OG-OG1 3.24Å; S776-T778 VanDerWaalsContact OG-OG1 3.06Å; T778-T781 PolarHBondContact O-N 3.35Å; T778-T781 VanDerWaalsContact O-N 3.14Å; T778-T781 PolarHBondContact O-OG1 3.35Å; T778-S782 PolarHBondContact O-N 2.97Å
779	E	29.4	Very low	43.3	Very low	115 Å²	115	97.3 Å²	97.3	54%	0.537	52%	0.52	S	S	.	.	H	α-helix	trans	-71.1	-38.4	-177.1	-64.7	-168.2	170.9	0	0	113.4	T781 S782	E779-T781 PolarHBondContact O-N 3.18Å; E779-T781 VanDerWaalsContact O-N 3.15Å; E779-S782 WeakPolarHBondContact O-CB 3.28Å; E779-S782 PolarHBondContact O-N 3.41Å; E779-S782 PolarHBondContact O-OG 3.46Å
780	W	30.8	Very low	45.5	Very low	127 Å²	127	92.7 Å²	92.7	48%	0.481	49%	0.485	S	S	.	.	H	α-helix	trans	-57.8	-26	170.2	-88.1	55.8	0	0	0	112.8	D762 H971	D762-W780 PolarHBondContact OD2-NE1 3.12Å; W780-H971 AromaticContact CH2-CE1 3.59Å
781	T	44.3	Very low	48.1	Very low	88 Å²	88	85.4 Å²	85.4	54%	0.54	45%	0.446	S	S	.	.	H	α-helix	trans	-83.6	-22.9	173.6	74.3	0	0	0	0	113.1	T778 E779 S785	T778-T781 PolarHBondContact O-N 3.35Å; T778-T781 VanDerWaalsContact O-N 3.14Å; T778-T781 PolarHBondContact O-OG1 3.35Å; E779-T781 PolarHBondContact O-N 3.18Å; E779-T781 VanDerWaalsContact O-N 3.15Å; T781-S785 WeakPolarHBondContact O-CB 3.13Å; T781-S785 PolarHBondContact O-N 3.3Å
782	S	43.5	Very low	50.7	Low	55 Å²	55	78.1 Å²	78.1	39%	0.385	42%	0.422	S	S	.	.	H	α-helix	trans	-67.9	-54.3	-168	70.8	0	0	0	0	113	T778 E779 R784 S785 E786	T778-S782 PolarHBondContact O-N 2.97Å; E779-S782 WeakPolarHBondContact O-CB 3.28Å; E779-S782 PolarHBondContact O-N 3.41Å; E779-S782 PolarHBondContact O-OG 3.46Å; S782-R784 PolarHBondContact O-N 2.71Å; S782-S785 CarbonylContact O-C 3.49Å; S782-S785 WeakPolarHBondContact O-CA 3.17Å; S782-S785 WeakPolarHBondContact O-CB 3.49Å; S782-S785 PolarHBondContact O-N 2.83Å; S782-S785 PolarHBondContact O-OG 2.92Å; S782-E786 PolarHBondContact O-N 2.86Å
783	S	52.7	Low	53.1	Low	37 Å²	37	78 Å²	78	26%	0.259	41%	0.411	S	S	.	.	H	α-helix	trans	-63.8	-43.5	-178.3	59	0	0	0	0	112.1	S785 E786 L787	S783-S785 VanDerWaalsContact C-N 3.29Å; S783-S785 PolarHBondContact O-N 3.25Å; S783-E786 PolarHBondContact O-N 2.92Å; S783-L787 PolarHBondContact O-N 2.77Å
784	R	62.6	Low	55.6	Low	56 Å²	56	69.9 Å²	69.9	21%	0.211	38%	0.379	C	S	.	.	H	α-helix	trans	-66.3	-28	171.2	-67.6	-174	176	-158.3	-1.6	112.6	A754 L755 S782 S788 H971 N974	A754-R784 HydrophobicContact CB-CG 4.34Å; A754-R784 PolarHBondContact O-NE 3.11Å; A754-R784 PolarHBondContact O-NH2 2.95Å; L755-R784 PolarHBondContact O-NH2 3.14Å; S782-R784 PolarHBondContact O-N 2.71Å; R784-S788 WeakPolarHBondContact O-CB 3.46Å; R784-S788 PolarHBondContact O-N 2.94Å; R784-H971 PolarHBondContact NH2-O 2.83Å; R784-N974 PolarHBondContact NH1-O 3.26Å
785	S	67.1	Low	58.2	Low	35 Å²	35	62.4 Å²	62.4	25%	0.245	34%	0.341	C	S	.	.	H	α-helix	trans	-71.5	-35.8	171.4	87	0	0	0	0	112.5	T781 S782 S783 S788 K789	T781-S785 WeakPolarHBondContact O-CB 3.13Å; T781-S785 PolarHBondContact O-N 3.3Å; S782-S785 CarbonylContact O-C 3.49Å; S782-S785 WeakPolarHBondContact O-CA 3.17Å; S782-S785 WeakPolarHBondContact O-CB 3.49Å; S782-S785 PolarHBondContact O-N 2.83Å; S782-S785 PolarHBondContact O-OG 2.92Å; S783-S785 VanDerWaalsContact C-N 3.29Å; S783-S785 PolarHBondContact O-N 3.25Å; S785-S788 PolarHBondContact O-N 3.14Å; S785-K789 WeakPolarHBondContact O-CB 3.45Å; S785-K789 WeakPolarHBondContact O-CD 3.25Å; S785-K789 WeakPolarHBondContact O-CG 3.44Å; S785-K789 PolarHBondContact O-N 2.82Å; S785-K789 PolarHBondContact OG-NZ 2.89Å; S785-K789 VanDerWaalsContact OG-NZ 3.14Å
786	E	73.8	Confident	60.5	Low	69 Å²	69	60.5 Å²	60.5	32%	0.322	32%	0.323	S	S	.	.	H	α-helix	trans	-69	-43.2	173.3	-64.6	-48.5	136	0	0	111.4	Y751 S782 S783 S788 K789 W790	Y751-E786 HydrophobicContact CD1-CB 3.89Å; Y751-E786 HydrophobicContact CE1-CB 3.67Å; Y751-E786 HydrophobicContact CE1-CG 4.43Å; S782-E786 PolarHBondContact O-N 2.86Å; S783-E786 PolarHBondContact O-N 2.92Å; E786-S788 VanDerWaalsContact C-N 3.31Å; E786-S788 PolarHBondContact O-N 2.76Å; E786-K789 PolarHBondContact O-N 3.07Å; E786-K789 IonicContact OE1-NZ 3.3Å; E786-K789 PolarHBondContact OE1-NZ 3.16Å; E786-K789 WeakPolarHBondContact OE2-CD 3.46Å; E786-K789 IonicContact OE2-NZ 3.98Å; E786-W790 WeakPolarHBondContact O-CB 3.41Å; E786-W790 PolarHBondContact O-N 3.03Å
787	L	77.2	Confident	62.6	Low	3 Å²	3	56.7 Å²	56.7	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-58.8	-41.9	172.1	-175.8	60	0	0	0	111.5	I748 L755 S783 L791 W978	I748-L787 HydrophobicContact CD1-CD1 3.86Å; I748-L787 HydrophobicContact CG1-CD1 3.73Å; L755-L787 HydrophobicContact CD1-CD2 4.33Å; L755-L787 HydrophobicContact CD2-CD2 3.83Å; L755-L787 HydrophobicContact CG-CD2 3.95Å; S783-L787 PolarHBondContact O-N 2.77Å; L787-L791 HydrophobicContact CD1-CD1 4.2Å; L787-L791 HydrophobicContact CD1-CG 4.38Å; L787-L791 HydrophobicContact CG-CD1 4.1Å; L787-L791 WeakPolarHBondContact O-CB 3.28Å; L787-L791 WeakPolarHBondContact O-CG 3.39Å; L787-L791 PolarHBondContact O-N 2.82Å; L787-W978 HydrophobicContact CB-CH2 4.36Å; L787-W978 HydrophobicContact CD2-CH2 4.01Å; L787-W978 HydrophobicContact CD2-CZ3 3.67Å; L787-W978 HydrophobicContact CG-CH2 3.93Å; L787-W978 HydrophobicContact CG-CZ3 4.08Å
788	S	76.6	Confident	64.7	Low	27 Å²	27	52.5 Å²	52.5	19%	0.189	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-52.8	172.5	-160.2	0	0	0	0	111.4	R784 S785 E786 W790 L791 D792	R784-S788 WeakPolarHBondContact O-CB 3.46Å; R784-S788 PolarHBondContact O-N 2.94Å; S785-S788 PolarHBondContact O-N 3.14Å; E786-S788 VanDerWaalsContact C-N 3.31Å; E786-S788 PolarHBondContact O-N 2.76Å; S788-W790 PolarHBondContact O-N 3.25Å; S788-L791 PolarHBondContact O-N 2.9Å; S788-D792 WeakPolarHBondContact O-CB 3.33Å; S788-D792 PolarHBondContact O-N 2.62Å; S788-D792 PolarHBondContact OG-OD2 2.75Å
789	K	77.4	Confident	66.3	Low	92 Å²	92	51.8 Å²	51.8	40%	0.4	26%	0.26	S	S	.	.	H	α-helix	trans	-56.4	-39.4	180	-71.9	160	-159.7	170.2	0	111.3	S785 E786 R793	S785-K789 WeakPolarHBondContact O-CB 3.45Å; S785-K789 WeakPolarHBondContact O-CD 3.25Å; S785-K789 WeakPolarHBondContact O-CG 3.44Å; S785-K789 PolarHBondContact O-N 2.82Å; S785-K789 PolarHBondContact OG-NZ 2.89Å; S785-K789 VanDerWaalsContact OG-NZ 3.14Å; E786-K789 PolarHBondContact O-N 3.07Å; E786-K789 IonicContact OE1-NZ 3.3Å; E786-K789 PolarHBondContact OE1-NZ 3.16Å; E786-K789 WeakPolarHBondContact OE2-CD 3.46Å; E786-K789 IonicContact OE2-NZ 3.98Å; K789-R793 VanDerWaalsContact O-CB 3.28Å; K789-R793 WeakPolarHBondContact O-CB 3.32Å; K789-R793 WeakPolarHBondContact O-CD 3.34Å; K789-R793 WeakPolarHBondContact O-CG 3.22Å; K789-R793 PolarHBondContact O-N 3.3Å
790	W	80.8	Confident	67.7	Low	34 Å²	34	48.4 Å²	48.4	13%	0.129	25%	0.251	C	S	.	.	H	α-helix	trans	-69.6	-47.6	177.2	-173.8	99.6	0	0	0	111.9	T744 S747 I748 E786 S788 D792 R793 L794	T744-W790 HydrophobicContact CG2-CH2 4.45Å; T744-W790 HydrophobicContact CG2-CZ2 4.32Å; T744-W790 WeakPolarHBondContact O-CZ2 3.48Å; S747-W790 WeakPolarHBondContact OG-CZ2 3.33Å; I748-W790 HydrophobicContact CB-CE3 4.31Å; I748-W790 HydrophobicContact CB-CH2 3.69Å; I748-W790 HydrophobicContact CB-CZ2 3.94Å; I748-W790 HydrophobicContact CB-CZ3 3.9Å; I748-W790 HydrophobicContact CD1-CE3 3.94Å; I748-W790 HydrophobicContact CD1-CH2 4.06Å; I748-W790 HydrophobicContact CD1-CZ3 3.47Å; I748-W790 VanDerWaalsContact CD1-CZ3 3.47Å; I748-W790 HydrophobicContact CG1-CD2 4.33Å; I748-W790 HydrophobicContact CG1-CE3 3.82Å; I748-W790 HydrophobicContact CG1-CH2 4.01Å; I748-W790 HydrophobicContact CG1-CZ2 4.49Å; I748-W790 HydrophobicContact CG1-CZ3 3.66Å; E786-W790 WeakPolarHBondContact O-CB 3.41Å; E786-W790 PolarHBondContact O-N 3.03Å; S788-W790 PolarHBondContact O-N 3.25Å; W790-D792 VanDerWaalsContact C-N 3.34Å; W790-D792 PolarHBondContact O-N 3.42Å; W790-R793 WeakPolarHBondContact O-CB 3.21Å; W790-R793 PolarHBondContact O-N 3.08Å; W790-L794 HydrophobicContact CH2-CD1 3.28Å; W790-L794 HydrophobicContact CZ2-CD1 3.87Å; W790-L794 HydrophobicContact CZ3-CB 4.45Å; W790-L794 HydrophobicContact CZ3-CD1 3.65Å; W790-L794 PolarHBondContact O-N 3.34Å
791	L	83	Confident	68.9	Low	4 Å²	4	42.6 Å²	42.6	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-38.6	176.6	-76	170.3	0	0	0	112.1	I748 L787 S788 L794 A795 W941 W978 L979 W982	I748-L791 HydrophobicContact CD1-CD2 4.3Å; L787-L791 HydrophobicContact CD1-CD1 4.2Å; L787-L791 HydrophobicContact CD1-CG 4.38Å; L787-L791 HydrophobicContact CG-CD1 4.1Å; L787-L791 WeakPolarHBondContact O-CB 3.28Å; L787-L791 WeakPolarHBondContact O-CG 3.39Å; L787-L791 PolarHBondContact O-N 2.82Å; S788-L791 PolarHBondContact O-N 2.9Å; L791-L794 PolarHBondContact O-N 2.68Å; L791-A795 WeakPolarHBondContact O-CB 3.47Å; L791-A795 PolarHBondContact O-N 3.17Å; L791-W941 HydrophobicContact CD2-CZ3 4.17Å; L791-W978 HydrophobicContact CD1-CH2 4.02Å; L791-W978 HydrophobicContact CD1-CZ3 4.34Å; L791-L979 HydrophobicContact CD1-CD1 4.04Å; L791-W982 HydrophobicContact CB-CD2 4.49Å; L791-W982 HydrophobicContact CB-CH2 3.86Å; L791-W982 HydrophobicContact CB-CZ2 3.59Å; L791-W982 HydrophobicContact CB-CZ3 4.4Å; L791-W982 HydrophobicContact CD1-CE3 4.48Å; L791-W982 WeakPolarHBondContact O-CZ2 3.41Å
792	D	80.5	Confident	69.8	Low	42 Å²	42	38.5 Å²	38.5	23%	0.225	21%	0.205	C	C	.	.	H	α-helix	trans	-68.8	-36.7	175.6	-70.7	-49.6	0	0	0	111.6	S788 W790 S796 W982 R986	S788-D792 WeakPolarHBondContact O-CB 3.33Å; S788-D792 PolarHBondContact O-N 2.62Å; S788-D792 PolarHBondContact OG-OD2 2.75Å; W790-D792 VanDerWaalsContact C-N 3.34Å; W790-D792 PolarHBondContact O-N 3.42Å; D792-S796 WeakPolarHBondContact O-CB 3.43Å; D792-S796 PolarHBondContact O-N 2.73Å; D792-W982 PolarHBondContact OD1-NE1 3.5Å; D792-R986 IonicContact OD1-CZ 3.54Å; D792-R986 IonicContact OD1-NE 2.74Å; D792-R986 PolarHBondContact OD1-NE 3.15Å; D792-R986 VanDerWaalsContact OD1-NE 3.16Å; D792-R986 IonicContact OD1-NH2 3.52Å; D792-R986 PolarHBondContact OD1-NH2 2.97Å
793	R	76.3	Confident	70.7	Confident	162 Å²	162	38.5 Å²	38.5	61%	0.611	20%	0.197	S	C	*	.	H	α-helix	trans	-63.4	-47.1	169.3	-79.7	167.3	-178.2	174.6	2.6	111.1	K789 W790 S796 C797	K789-R793 VanDerWaalsContact O-CB 3.28Å; K789-R793 WeakPolarHBondContact O-CB 3.32Å; K789-R793 WeakPolarHBondContact O-CD 3.34Å; K789-R793 WeakPolarHBondContact O-CG 3.22Å; K789-R793 PolarHBondContact O-N 3.3Å; W790-R793 WeakPolarHBondContact O-CB 3.21Å; W790-R793 PolarHBondContact O-N 3.08Å; R793-S796 WeakPolarHBondContact CA-OG 3.39Å; R793-S796 CarbonylContact O-C 3.58Å; R793-S796 WeakPolarHBondContact O-CA 3.4Å; R793-S796 WeakPolarHBondContact O-CB 3.36Å; R793-S796 PolarHBondContact O-N 3.27Å; R793-S796 VanDerWaalsContact O-N 3.1Å; R793-S796 PolarHBondContact O-OG 3.35Å; R793-C797 PolarHBondContact O-N 2.84Å; R793-C797 PolarHBondContact O-SG 3.08Å; R793-C797 VanDerWaalsContact O-SG 3.39Å
794	L	78.8	Confident	70.4	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-43.2	179.6	-165.1	156.1	0	0	0	111.5	T744 W790 L791 S796 C797 F798 F940 W941 L944	T744-L794 HydrophobicContact CG2-CD1 3.69Å; W790-L794 HydrophobicContact CH2-CD1 3.28Å; W790-L794 HydrophobicContact CZ2-CD1 3.87Å; W790-L794 HydrophobicContact CZ3-CB 4.45Å; W790-L794 HydrophobicContact CZ3-CD1 3.65Å; W790-L794 PolarHBondContact O-N 3.34Å; L791-L794 PolarHBondContact O-N 2.68Å; L794-S796 VanDerWaalsContact C-N 3.29Å; L794-S796 PolarHBondContact O-N 3.3Å; L794-C797 WeakPolarHBondContact O-CA 3.35Å; L794-C797 VanDerWaalsContact O-CB 3.29Å; L794-C797 WeakPolarHBondContact O-CB 3.18Å; L794-C797 PolarHBondContact O-N 3.06Å; L794-F798 HydrophobicContact CD2-CD2 4.07Å; L794-F798 HydrophobicContact CD2-CE2 3.69Å; L794-F798 PolarHBondContact O-N 3.41Å; L794-F940 HydrophobicContact CD1-CE1 4.3Å; L794-F940 HydrophobicContact CD1-CZ 4.2Å; L794-F940 HydrophobicContact CD2-CD1 4.47Å; L794-F940 HydrophobicContact CD2-CE1 3.61Å; L794-F940 HydrophobicContact CD2-CZ 4.2Å; L794-W941 HydrophobicContact CD2-CH2 3.61Å; L794-W941 HydrophobicContact CD2-CZ2 3.77Å; L794-W941 HydrophobicContact CD2-CZ3 4.25Å; L794-L944 HydrophobicContact CD1-CD2 4.46Å
795	A	79.3	Confident	69.1	Low	8 Å²	8	38 Å²	38	7%	0.066	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-40.6	170.7	0	0	0	0	0	111.7	L791 C797 F798 D799 W941 W982	L791-A795 WeakPolarHBondContact O-CB 3.47Å; L791-A795 PolarHBondContact O-N 3.17Å; A795-C797 PolarHBondContact O-N 3.36Å; A795-F798 WeakPolarHBondContact O-CB 3.46Å; A795-F798 PolarHBondContact O-N 3.47Å; A795-D799 PolarHBondContact O-N 2.64Å; A795-W941 HydrophobicContact CB-CH2 4.49Å; A795-W941 HydrophobicContact CB-CZ2 4.14Å; A795-W982 HydrophobicContact CB-CH2 4.19Å; A795-W982 HydrophobicContact CB-CZ2 4.24Å
796	S	72.3	Confident	67.3	Low	57 Å²	57	39.4 Å²	39.4	40%	0.399	22%	0.222	S	C	.	.	H	α-helix	trans	-66	-21.9	174.5	79.8	0	0	0	0	113.7	D792 R793 L794 D799 A800	D792-S796 WeakPolarHBondContact O-CB 3.43Å; D792-S796 PolarHBondContact O-N 2.73Å; R793-S796 WeakPolarHBondContact CA-OG 3.39Å; R793-S796 CarbonylContact O-C 3.58Å; R793-S796 WeakPolarHBondContact O-CA 3.4Å; R793-S796 WeakPolarHBondContact O-CB 3.36Å; R793-S796 PolarHBondContact O-N 3.27Å; R793-S796 VanDerWaalsContact O-N 3.1Å; R793-S796 PolarHBondContact O-OG 3.35Å; L794-S796 VanDerWaalsContact C-N 3.29Å; L794-S796 PolarHBondContact O-N 3.3Å; S796-D799 PolarHBondContact O-N 2.88Å; S796-A800 VanDerWaalsContact O-CB 3.25Å; S796-A800 WeakPolarHBondContact O-CB 3.47Å; S796-A800 PolarHBondContact O-N 3.28Å
797	C	69.7	Low	65	Low	4 Å²	4	37.7 Å²	37.7	3%	0.027	22%	0.223	C	C	.	.	H	α-helix	trans	-71	-31.6	170.2	-63.8	0	0	0	0	112.2	I640 V641 F644 R793 L794 A795 A801	I640-C797 HydrophobicContact CG2-CB 3.91Å; V641-C797 HydrophobicContact CG2-CB 3.79Å; F644-C797 HydrophobicContact CD2-CB 4.43Å; F644-C797 HydrophobicContact CE2-CB 4.38Å; R793-C797 PolarHBondContact O-N 2.84Å; R793-C797 PolarHBondContact O-SG 3.08Å; R793-C797 VanDerWaalsContact O-SG 3.39Å; L794-C797 WeakPolarHBondContact O-CA 3.35Å; L794-C797 VanDerWaalsContact O-CB 3.29Å; L794-C797 WeakPolarHBondContact O-CB 3.18Å; L794-C797 PolarHBondContact O-N 3.06Å; A795-C797 PolarHBondContact O-N 3.36Å; C797-A801 WeakPolarHBondContact O-CB 3.48Å; C797-A801 PolarHBondContact O-N 2.99Å
798	F	71.2	Confident	62.5	Low	1 Å²	1	41.5 Å²	41.5	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-70.3	-44.2	168	-76.8	-73.7	0	0	0	111.7	F644 L794 A795 A800 A801 F802 Y803 E937 F940 W941	F644-F798 AromaticContact CD1-CE1 3.8Å; F644-F798 HydrophobicContact CD1-CE1 3.8Å; F644-F798 AromaticContact CD1-CZ 3.97Å; F644-F798 HydrophobicContact CD1-CZ 3.97Å; F644-F798 HydrophobicContact CD2-CE1 4.48Å; F644-F798 AromaticContact CE1-CE1 3.63Å; F644-F798 HydrophobicContact CE1-CE1 3.63Å; F644-F798 HydrophobicContact CE1-CE2 4.13Å; F644-F798 AromaticContact CE1-CZ 3.29Å; F644-F798 HydrophobicContact CE1-CZ 3.29Å; F644-F798 HydrophobicContact CE2-CD2 4.45Å; F644-F798 HydrophobicContact CE2-CE1 4.31Å; F644-F798 HydrophobicContact CE2-CE2 4.01Å; F644-F798 AromaticContact CE2-CZ 3.93Å; F644-F798 HydrophobicContact CE2-CZ 3.93Å; F644-F798 HydrophobicContact CG-CE1 4.26Å; F644-F798 HydrophobicContact CZ-CD2 4.47Å; F644-F798 AromaticContact CZ-CE1 3.91Å; F644-F798 HydrophobicContact CZ-CE1 3.91Å; F644-F798 AromaticContact CZ-CE2 3.62Å; F644-F798 HydrophobicContact CZ-CE2 3.62Å; F644-F798 AromaticContact CZ-CZ 3.27Å; F644-F798 HydrophobicContact CZ-CZ 3.27Å; L794-F798 HydrophobicContact CD2-CD2 4.07Å; L794-F798 HydrophobicContact CD2-CE2 3.69Å; L794-F798 PolarHBondContact O-N 3.41Å; A795-F798 WeakPolarHBondContact O-CB 3.46Å; A795-F798 PolarHBondContact O-N 3.47Å; F798-A800 PolarHBondContact O-N 3.09Å; F798-A801 PolarHBondContact O-N 2.81Å; F798-F802 AromaticContact CD1-CD2 3.71Å; F798-F802 HydrophobicContact CD1-CD2 3.71Å; F798-F802 AromaticContact CD1-CE2 3.53Å; F798-F802 HydrophobicContact CD1-CE2 3.53Å; F798-F802 HydrophobicContact CD1-CZ 4.29Å; F798-F802 HydrophobicContact CE1-CD2 4.32Å; F798-F802 AromaticContact CE1-CE2 3.67Å; F798-F802 HydrophobicContact CE1-CE2 3.67Å; F798-F802 HydrophobicContact CE1-CZ 4.25Å; F798-F802 WeakPolarHBondContact O-CB 3.37Å; F798-F802 PolarHBondContact O-N 2.96Å; F798-Y803 PolarHBondContact O-N 2.7Å; F798-E937 HydrophobicContact CD1-CB 4.11Å; F798-E937 HydrophobicContact CD1-CG 4.11Å; F798-E937 HydrophobicContact CE1-CB 4.04Å; F798-E937 HydrophobicContact CE1-CG 4.23Å; F798-E937 HydrophobicContact CG-CG 4.43Å; F798-F940 AromaticContact CE2-CD1 3.58Å; F798-F940 HydrophobicContact CE2-CD1 3.58Å; F798-F940 AromaticContact CE2-CE1 3.99Å; F798-F940 HydrophobicContact CE2-CE1 3.99Å; F798-F940 HydrophobicContact CE2-CG 4.28Å; F798-F940 HydrophobicContact CZ-CB 3.81Å; F798-F940 AromaticContact CZ-CD1 3.43Å; F798-F940 HydrophobicContact CZ-CD1 3.43Å; F798-F940 VanDerWaalsContact CZ-CD1 3.43Å; F798-F940 HydrophobicContact CZ-CE1 4.2Å; F798-F940 AromaticContact CZ-CG 3.67Å; F798-F940 HydrophobicContact CZ-CG 3.67Å; F798-W941 AromaticContact CD2-CE2 3.99Å; F798-W941 AromaticContact CD2-CZ2 3.97Å; F798-W941 HydrophobicContact CD2-CZ2 3.97Å; F798-W941 AromaticContact CD2-NE1 3.68Å; F798-W941 AromaticContact CE2-CE2 3.83Å; F798-W941 HydrophobicContact CE2-CZ2 4.06Å; F798-W941 AromaticContact CE2-NE1 3.6Å
799	D	65.8	Low	59.9	Low	66 Å²	66	45.6 Å²	45.6	35%	0.353	28%	0.275	S	S	.	.	H	α-helix	trans	-58.4	-36.5	174.4	-71.8	-39.5	0	0	0	111.9	A795 S796 Y803	A795-D799 PolarHBondContact O-N 2.64Å; S796-D799 PolarHBondContact O-N 2.88Å; D799-Y803 CarbonylContact O-C 3.59Å; D799-Y803 WeakPolarHBondContact O-CA 3.32Å; D799-Y803 PolarHBondContact O-N 3.42Å; D799-Y803 VanDerWaalsContact O-N 3.15Å
800	A	57.6	Low	57.2	Low	43 Å²	43	49.1 Å²	49.1	36%	0.355	30%	0.295	S	S	.	.	H	α-helix	trans	-76.7	-45.3	176.7	0	0	0	0	0	113.4	I551 V641 S796 F798	I551-A800 VanDerWaalsContact CD1-O 3.23Å; I551-A800 WeakPolarHBondContact CD1-O 3.42Å; V641-A800 HydrophobicContact CG1-CB 4.45Å; V641-A800 HydrophobicContact CG2-CB 3.9Å; S796-A800 VanDerWaalsContact O-CB 3.25Å; S796-A800 WeakPolarHBondContact O-CB 3.47Å; S796-A800 PolarHBondContact O-N 3.28Å; F798-A800 PolarHBondContact O-N 3.09Å
801	A	57.2	Low	54.4	Low	6 Å²	6	52.2 Å²	52.2	5%	0.05	32%	0.322	C	S	.	.	H	α-helix	trans	-74	-39.8	-177	0	0	0	0	0	112.9	V641 F644 C797 F798	V641-A801 HydrophobicContact CG1-CB 4.1Å; F644-A801 HydrophobicContact CB-CB 3.9Å; C797-A801 WeakPolarHBondContact O-CB 3.48Å; C797-A801 PolarHBondContact O-N 2.99Å; F798-A801 PolarHBondContact O-N 2.81Å
802	F	63.3	Low	51.5	Low	2 Å²	2	58 Å²	58	1%	0.009	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-31	-170.5	-60	-12.7	0	0	0	113.6	F644 L648 F798 P804 M933 L936 E937	F644-F802 HydrophobicContact CB-CE1 4.09Å; F644-F802 HydrophobicContact CB-CZ 4.14Å; L648-F802 HydrophobicContact CB-CE1 3.8Å; L648-F802 HydrophobicContact CB-CZ 4.33Å; L648-F802 HydrophobicContact CD2-CD1 3.66Å; L648-F802 HydrophobicContact CD2-CE1 3.77Å; L648-F802 HydrophobicContact CG-CE1 4.33Å; F798-F802 AromaticContact CD1-CD2 3.71Å; F798-F802 HydrophobicContact CD1-CD2 3.71Å; F798-F802 AromaticContact CD1-CE2 3.53Å; F798-F802 HydrophobicContact CD1-CE2 3.53Å; F798-F802 HydrophobicContact CD1-CZ 4.29Å; F798-F802 HydrophobicContact CE1-CD2 4.32Å; F798-F802 AromaticContact CE1-CE2 3.67Å; F798-F802 HydrophobicContact CE1-CE2 3.67Å; F798-F802 HydrophobicContact CE1-CZ 4.25Å; F798-F802 WeakPolarHBondContact O-CB 3.37Å; F798-F802 PolarHBondContact O-N 2.96Å; F802-P804 WeakPolarHBondContact O-CD 3.19Å; F802-M933 HydrophobicContact CB-CB 4.11Å; F802-M933 HydrophobicContact CB-CE 4.27Å; F802-M933 HydrophobicContact CB-CG 4.19Å; F802-M933 HydrophobicContact CD1-CG 4.46Å; F802-M933 HydrophobicContact CD2-CB 3.92Å; F802-M933 HydrophobicContact CG-CB 4.01Å; F802-M933 HydrophobicContact CG-CG 4.16Å; F802-M933 WeakPolarHBondContact O-CE 3.48Å; F802-L936 HydrophobicContact CE2-CB 4.33Å; F802-L936 HydrophobicContact CE2-CD2 4.47Å; F802-L936 HydrophobicContact CZ-CB 4.39Å; F802-L936 HydrophobicContact CZ-CD1 4.21Å; F802-L936 HydrophobicContact CZ-CD2 4.07Å; F802-L936 HydrophobicContact CZ-CG 4.46Å; F802-E937 HydrophobicContact CD2-CB 4.45Å; F802-E937 HydrophobicContact CE2-CB 4.28Å
803	Y	60.6	Low	48.7	Very low	54 Å²	54	62.9 Å²	62.9	21%	0.212	38%	0.382	C	S	.	.	S	Bend	trans	-120.2	42.8	-171	-47.5	-57.3	0	0	0	115.9	F798 D799 S805 M933 N934 E937 Q1106	F798-Y803 PolarHBondContact O-N 2.7Å; D799-Y803 CarbonylContact O-C 3.59Å; D799-Y803 WeakPolarHBondContact O-CA 3.32Å; D799-Y803 PolarHBondContact O-N 3.42Å; D799-Y803 VanDerWaalsContact O-N 3.15Å; Y803-S805 WeakPolarHBondContact O-CA 3.02Å; Y803-S805 PolarHBondContact O-N 3.49Å; Y803-M933 HydrophobicContact CD1-CE 4.36Å; Y803-M933 HydrophobicContact CE1-CB 4.34Å; Y803-M933 HydrophobicContact CE1-CE 4.28Å; Y803-N934 PolarHBondContact OH-OD1 2.87Å; Y803-N934 VanDerWaalsContact OH-OD1 3.12Å; Y803-E937 VanDerWaalsContact CE2-OE2 3.3Å; Y803-E937 WeakPolarHBondContact CE2-OE2 3.46Å; Y803-E937 PolarHBondContact OH-OE2 2.95Å; Y803-Q1106 VanDerWaalsContact C-NE2 3.32Å; Y803-Q1106 VanDerWaalsContact CA-NE2 3.34Å
804	P	46.7	Very low	46.1	Very low	3 Å²	3	61.5 Å²	61.5	2%	0.019	39%	0.387	C	S	.	.			trans	-41.3	101.2	-165.3	6.3	-22.6	0	0	0	114.9	I551 F802 G806 Q1106 A1108	I551-P804 HydrophobicContact CD1-CB 3.76Å; I551-P804 HydrophobicContact CD1-CG 3.76Å; F802-P804 WeakPolarHBondContact O-CD 3.19Å; P804-G806 PolarHBondContact O-N 3.49Å; P804-Q1106 HydrophobicContact CB-CB 4.42Å; P804-Q1106 HydrophobicContact CG-CB 4.12Å; P804-Q1106 HydrophobicContact CG-CG 4.43Å; P804-Q1106 CarbonylContact O-C 3.49Å; P804-Q1106 WeakPolarHBondContact O-CB 3.42Å; P804-Q1106 WeakPolarHBondContact O-CG 3.27Å; P804-A1108 HydrophobicContact CB-CB 3.74Å; P804-A1108 PolarHBondContact O-N 3.43Å; P804-A1108 VanDerWaalsContact O-N 3.15Å
805	S	35.3	Very low	43.4	Very low	81 Å²	81	68.7 Å²	68.7	57%	0.566	43%	0.426	S	S	*	.			trans	-65.6	100	-158.5	64.3	0	0	0	0	115	Y803 G807 A1108	Y803-S805 WeakPolarHBondContact O-CA 3.02Å; Y803-S805 PolarHBondContact O-N 3.49Å; S805-G807 PolarHBondContact O-N 3.19Å; S805-A1108 VanDerWaalsContact N-CB 3.28Å; S805-A1108 PolarHBondContact O-N 3.26Å
806	G	29.8	Very low	40.6	Very low	63 Å²	63	75.4 Å²	75.4	65%	0.649	46%	0.46	S	S	*	.				65.1	-14	107.5	0	0	0	0	0	121	P804	P804-G806 PolarHBondContact O-N 3.49Å
807	G	25.9	Very low	38.3	Very low	34 Å²	34	81.9 Å²	81.9	35%	0.351	48%	0.484	S	S	.	.			trans	87.3	99.4	168.6	0	0	0	0	0	115.1	S805 S1107	S805-G807 PolarHBondContact O-N 3.19Å; G807-S1107 WeakPolarHBondContact CA-OG 3.38Å; G807-S1107 PolarHBondContact N-OG 2.67Å; G807-S1107 VanDerWaalsContact N-OG 3.15Å
808	T	24	Very low	36	Very low	83 Å²	83	89 Å²	89	51%	0.509	52%	0.522	S	S	.	.			trans	-143.8	129.2	150.2	-48.7	0	0	0	0	107.2	M810 R852	T808-M810 PolarHBondContact O-N 2.94Å; T808-M810 VanDerWaalsContact O-N 3.12Å; T808-R852 PolarHBondContact OG1-NH2 3.33Å
809	S	21.9	Very low	33.5	Very low	113 Å²	113	97.2 Å²	97.2	79%	0.79	57%	0.565	S	S	*	*			trans	-66.2	110.5	-180	-175.5	0	0	0	0	109.6	S811	S809-S811 PolarHBondContact O-N 3.41Å
810	M	21.3	Very low	31.4	Very low	166 Å²	166	99.4 Å²	99.4	82%	0.818	59%	0.585	S	S	*	*			trans	-72.4	111.4	166.8	-77.2	-64.4	-69.5	0	0	107.7	T808	T808-M810 PolarHBondContact O-N 2.94Å; T808-M810 VanDerWaalsContact O-N 3.12Å
811	S	21.2	Very low	29.6	Very low	99 Å²	99	104.2 Å²	104.2	69%	0.692	60%	0.604	S	S	*	*			trans	-60.4	135.2	178.2	50.9	0	0	0	0	110.9	S809 L813	S809-S811 PolarHBondContact O-N 3.41Å; S811-L813 PolarHBondContact O-N 3.19Å
812	V	22.4	Very low	27.9	Very low	124 Å²	124	111.1 Å²	111.1	75%	0.752	64%	0.64	S	S	*	*			trans	-37.9	108.8	178.3	-177.8	0	0	0	0	112.2	N814	V812-N814 WeakPolarHBondContact CG1-OD1 3.49Å
813	L	22.7	Very low	25.8	Very low	145 Å²	145	115.3 Å²	115.3	76%	0.759	67%	0.67	S	S	*	*			trans	-83.7	127.3	152.9	-74.7	171	0	0	0	106.6	S811 D815	S811-L813 PolarHBondContact O-N 3.19Å; L813-D815 PolarHBondContact O-N 3.4Å
814	N	22.1	Very low	23.9	Very low	134 Å²	134	119.4 Å²	119.4	72%	0.717	70%	0.695	S	S	*	*			trans	-80.4	102.6	178.9	-73.7	-30.1	0	0	0	109	V812 N816	V812-N814 WeakPolarHBondContact CG1-OD1 3.49Å; N814-N816 PolarHBondContact O-N 2.9Å
815	D	21.6	Very low	22.7	Very low	157 Å²	157	124 Å²	124	84%	0.84	73%	0.727	S	S	*	*			trans	-70.4	73.3	168.5	-67.6	-29.9	0	0	0	110	L813	L813-D815 PolarHBondContact O-N 3.4Å
816	N	20.8	Very low	22	Very low	149 Å²	149	126 Å²	126	80%	0.797	74%	0.735	S	S	*	*			trans	-121	56	-178.1	-110.8	16.6	0	0	0	110.6	N814	N814-N816 PolarHBondContact O-N 2.9Å
817	E	23.3	Very low	21.5	Very low	192 Å²	192	130.9 Å²	130.9	90%	0.897	74%	0.741	S	S	*	*	S	Bend	trans	-141.9	137.3	163.3	-126.1	161.8	-128	0	0	111.1
818	N	21.9	Very low	21.2	Very low	153 Å²	153	133.9 Å²	133.9	82%	0.818	76%	0.757	S	S	*	*			trans	-83.5	133.1	-156.6	-67.1	-66.9	0	0	0	113.4	S820	N818-S820 PolarHBondContact O-N 3.07Å
819	L	19	Very low	21	Very low	175 Å²	175	138.9 Å²	138.9	92%	0.916	77%	0.772	S	S	*	*			trans	-64.5	96	167.1	-72.3	166.4	0	0	0	110.7
820	S	20.5	Very low	20.9	Very low	111 Å²	111	141.9 Å²	141.9	78%	0.776	78%	0.778	S	S	*	*			trans	-111.6	74.8	172.2	50.7	0	0	0	0	111.3	N818 N822	N818-S820 PolarHBondContact O-N 3.07Å; S820-N822 PolarHBondContact O-N 3.29Å
821	I	19.4	Very low	20.8	Very low	145 Å²	145	139.4 Å²	139.4	74%	0.744	78%	0.777	S	S	*	*			trans	5.1	109.1	147.5	-53.6	167.9	0	0	0	115.1
822	N	21.5	Very low	20.8	Very low	150 Å²	150	142.1 Å²	142.1	80%	0.802	78%	0.784	S	S	*	*				-170.5	134.6	112.7	-96.9	-42.6	0	0	0	111.4	S820	S820-N822 PolarHBondContact O-N 3.29Å
823	S	19.6	Very low	20.9	Very low	91 Å²	91	146.4 Å²	146.4	64%	0.636	79%	0.792	S	S	*	*			trans	-79	145	152.5	58.7	0	0	0	0	108.6
824	D	20.6	Very low	20.8	Very low	140 Å²	140	144.5 Å²	144.5	75%	0.749	79%	0.791	S	S	*	*				178.9	148.1	109.8	-88.5	-2.6	0	0	0	113.4
825	S	21.5	Very low	20.9	Very low	99 Å²	99	147 Å²	147	69%	0.692	80%	0.799	S	S	*	*			trans	39.7	105.9	153.5	68.6	0	0	0	0	121.4
826	V	20.5	Very low	20.8	Very low	122 Å²	122	145 Å²	145	74%	0.739	80%	0.797	S	S	*	*				69.9	131.3	112.2	171.8	0	0	0	0	120.6
827	H	20.2	Very low	20.8	Very low	167 Å²	167	141.5 Å²	141.5	77%	0.773	80%	0.796	S	S	*	*			trans	70.1	100.3	159.9	-69.6	-36.8	0	0	0	121.6
828	S	19.1	Very low	20.8	Very low	97 Å²	97	139.6 Å²	139.6	68%	0.678	79%	0.79	S	S	*	*				91.3	160.3	115.9	78.2	0	0	0	0	121
829	F	20.1	Very low	20.6	Very low	188 Å²	188	136.9 Å²	136.9	83%	0.825	78%	0.784	S	S	*	*			trans	68	99.7	174	-72	-77.2	0	0	0	120.3	S831	F829-S831 PolarHBondContact O-N 3.26Å
830	L	19.7	Very low	20.7	Very low	175 Å²	175	137.9 Å²	137.9	92%	0.916	78%	0.781	S	S	*	*			trans	-30.3	124.4	141.7	-65.3	155.9	0	0	0	113.5
831	S	20	Very low	20.7	Very low	115 Å²	115	139 Å²	139	80%	0.804	78%	0.778	S	S	*	*			trans	-154.1	132.3	142.2	80.7	0	0	0	0	112.6	F829	F829-S831 PolarHBondContact O-N 3.26Å
832	N	21	Very low	20.8	Very low	156 Å²	156	138.9 Å²	138.9	83%	0.834	78%	0.779	S	S	*	*			trans	-44.3	139.2	178.1	-57.1	-36.8	0	0	0	115.5
833	K	24.8	Very low	20.7	Very low	213 Å²	213	142.8 Å²	142.8	93%	0.926	78%	0.783	S	S	*	*			trans	-146.1	86.7	144	-120.3	171.8	-171.9	175.1	0	112.6
834	S	20.4	Very low	20.9	Very low	105 Å²	105	144.6 Å²	144.6	73%	0.734	79%	0.79	S	S	*	*			trans	-75.2	131.7	166.6	53	0	0	0	0	111.3
835	Q	22.6	Very low	21	Very low	187 Å²	187	143.9 Å²	143.9	87%	0.874	79%	0.786	S	S	*	*			trans	-165.8	148.9	150.9	-111	158.5	9.7	0	0	110.9
836	S	21.3	Very low	21.1	Very low	114 Å²	114	145.3 Å²	145.3	80%	0.797	79%	0.785	S	S	*	*			trans	16	115.2	164.9	54.5	0	0	0	0	117.9
837	G	20.8	Very low	21.1	Very low	76 Å²	76	147.5 Å²	147.5	78%	0.784	79%	0.788	S	S	*	*			cis	96	108.9	18.1	0	0	0	0	0	112.4
838	I	21.9	Very low	21.3	Very low	152 Å²	152	146.8 Å²	146.8	78%	0.779	79%	0.785	S	S	*	*			trans	-137.7	129.8	148.9	-84	167.1	0	0	0	105.2	F840	I838-F840 HydrophobicContact CG2-CD2 3.91Å; I838-F840 HydrophobicContact CG2-CE2 4.22Å
839	S	18.9	Very low	21.4	Very low	97 Å²	97	149.7 Å²	149.7	68%	0.678	79%	0.787	S	S	*	*			trans	-88.8	121.3	175.5	-178.8	0	0	0	0	110.3
840	F	20.3	Very low	21.5	Very low	196 Å²	196	151 Å²	151	86%	0.86	79%	0.788	S	S	*	*			trans	-111.7	93.3	163.9	-104.5	-78.1	0	0	0	109.7	I838 N842	I838-F840 HydrophobicContact CG2-CD2 3.91Å; I838-F840 HydrophobicContact CG2-CE2 4.22Å; F840-N842 PolarHBondContact O-N 3.42Å
841	N	20.2	Very low	21.5	Very low	134 Å²	134	152.9 Å²	152.9	72%	0.717	78%	0.783	S	S	*	*			trans	-60.6	129.1	176.3	-85.7	-32.2	0	0	0	111.8	R843	N841-R843 PolarHBondContact O-N 3.21Å
842	N	21.1	Very low	21.6	Very low	143 Å²	143	155.9 Å²	155.9	77%	0.765	78%	0.777	S	S	*	*			trans	25.3	86.7	145.2	-66.4	-15	0	0	0	117.2	F840	F840-N842 PolarHBondContact O-N 3.42Å
843	R	20.8	Very low	21.6	Very low	232 Å²	232	153.7 Å²	153.7	88%	0.875	77%	0.769	S	S	*	*			trans	-112.8	82.6	139.6	-84.4	-169.9	168.2	-178.6	-2.9	110	N841 N845	N841-R843 PolarHBondContact O-N 3.21Å; R843-N845 PolarHBondContact O-N 2.78Å; R843-N845 VanDerWaalsContact O-N 3.11Å
844	V	23.4	Very low	21.4	Very low	129 Å²	129	153.6 Å²	153.6	78%	0.782	76%	0.764	S	S	*	*			trans	-53.6	112.7	159.2	175.9	0	0	0	0	107.3
845	N	22.6	Very low	21.5	Very low	124 Å²	124	157.6 Å²	157.6	66%	0.663	77%	0.772	S	S	*	*			trans	-153.4	96.8	173.2	-111	-28	0	0	0	110.4	R843	R843-N845 PolarHBondContact O-N 2.78Å; R843-N845 VanDerWaalsContact O-N 3.11Å
846	N	23.2	Very low	21.6	Very low	129 Å²	129	156.4 Å²	156.4	69%	0.69	77%	0.766	S	S	*	*			trans	54	64.9	148.2	-56.6	-20.9	0	0	0	117.6	Q848	N846-Q848 VanDerWaalsContact C-N 3.28Å; N846-Q848 PolarHBondContact O-N 2.82Å
847	Q	21.7	Very low	21.6	Very low	168 Å²	168	156 Å²	156	79%	0.785	76%	0.763	S	S	*	*			trans	-65.3	93.3	148	-75	-171.5	-8.2	0	0	108.9	H849	Q847-H849 VanDerWaalsContact C-N 3.33Å; Q847-H849 PolarHBondContact O-N 3.04Å
848	Q	22.8	Very low	21.7	Very low	153 Å²	153	160.2 Å²	160.2	72%	0.715	77%	0.768	S	S	*	*			trans	-71.2	86.8	175.2	-72.3	-170.8	-15.2	0	0	110.5	N846 Y850	N846-Q848 VanDerWaalsContact C-N 3.28Å; N846-Q848 PolarHBondContact O-N 2.82Å; Q848-Y850 PolarHBondContact O-N 3.47Å; Q848-Y850 VanDerWaalsContact O-N 3.12Å
849	H	23	Very low	21.7	Very low	157 Å²	157	161 Å²	161	73%	0.727	77%	0.768	S	S	*	*			trans	-60.6	113.6	168	-71.4	-77.2	0	0	0	109.9	Q847 R851	Q847-H849 VanDerWaalsContact C-N 3.33Å; Q847-H849 PolarHBondContact O-N 3.04Å; H849-R851 PolarHBondContact O-N 2.96Å
850	Y	20.3	Very low	21.8	Very low	216 Å²	216	164.4 Å²	164.4	85%	0.847	78%	0.778	S	S	*	*			trans	-69.1	66.5	175	-86.3	-88.4	0	0	0	112.3	Q848 R852	Q848-Y850 PolarHBondContact O-N 3.47Å; Q848-Y850 VanDerWaalsContact O-N 3.12Å; Y850-R852 PolarHBondContact O-N 3.41Å
851	R	21.1	Very low	21.9	Very low	214 Å²	214	162.9 Å²	162.9	81%	0.808	78%	0.777	S	S	*	*			trans	-74.4	105	175.5	-155.4	175.9	-164.5	179.4	5.1	108.4	H849 T853	H849-R851 PolarHBondContact O-N 2.96Å; R851-T853 VanDerWaalsContact C-N 3.28Å; R851-T853 PolarHBondContact O-N 3Å
852	R	20.7	Very low	22.3	Very low	179 Å²	179	161.6 Å²	161.6	68%	0.675	78%	0.776	S	S	*	*			trans	-65.4	80.7	178.2	-73.1	-175	177.2	167.6	2.5	111.6	T808 Y850 Y854	T808-R852 PolarHBondContact OG1-NH2 3.33Å; Y850-R852 PolarHBondContact O-N 3.41Å; R852-Y854 PolarHBondContact O-N 3.1Å
853	T	21.5	Very low	22.3	Very low	110 Å²	110	162.2 Å²	162.2	68%	0.675	78%	0.78	S	S	*	*			trans	-80.1	101.6	173.4	41	0	0	0	0	110.5	R851 Q855	R851-T853 VanDerWaalsContact C-N 3.28Å; R851-T853 PolarHBondContact O-N 3Å; T853-Q855 PolarHBondContact O-N 3.4Å
854	Y	21.7	Very low	22.4	Very low	210 Å²	210	159.4 Å²	159.4	82%	0.824	78%	0.781	S	S	*	*			trans	-68.2	98.8	169.1	-81	-96.3	0	0	0	110	R852	R852-Y854 PolarHBondContact O-N 3.1Å
855	Q	20.9	Very low	22.4	Very low	189 Å²	189	162 Å²	162	88%	0.883	79%	0.785	S	S	*	*			trans	-78.6	116.3	163.5	-72.2	-178.8	-28.6	0	0	109.2	T853	T853-Q855 PolarHBondContact O-N 3.4Å
856	Q	25.3	Very low	22.4	Very low	163 Å²	163	165.5 Å²	165.5	76%	0.762	79%	0.794	S	S	*	*			trans	-118.9	147.5	160.7	-86.9	-171.9	-15.6	0	0	109.7
857	S	21.5	Very low	22.4	Very low	105 Å²	105	166.9 Å²	166.9	73%	0.734	80%	0.801	S	S	*	*			trans	-83	135.8	-163.5	40.4	0	0	0	0	113.5	H859	S857-H859 PolarHBondContact O-N 2.98Å
858	N	22.2	Very low	22.4	Very low	164 Å²	164	163.1 Å²	163.1	88%	0.877	79%	0.794	S	S	*	*			trans	-70.9	92.5	172.7	-77	-35.4	0	0	0	111.2
859	H	22.8	Very low	22.4	Very low	168 Å²	168	165.1 Å²	165.1	78%	0.778	80%	0.803	S	S	*	*			trans	-115	106.4	159.9	-90.9	-71.8	0	0	0	110.9	S857 L861	S857-H859 PolarHBondContact O-N 2.98Å; H859-L861 PolarHBondContact O-N 3.29Å
860	L	20.6	Very low	22.4	Very low	170 Å²	170	163.7 Å²	163.7	89%	0.89	81%	0.806	S	S	*	*			trans	-72.7	103.6	178.8	-69.9	161.6	0	0	0	111
861	L	22.4	Very low	22.5	Very low	163 Å²	163	158.1 Å²	158.1	85%	0.853	80%	0.798	S	S	*	*			trans	-103.3	123	154.5	-100	75.4	0	0	0	109.2	H859	H859-L861 PolarHBondContact O-N 3.29Å
862	P	27.9	Very low	22.7	Very low	107 Å²	107	154.2 Å²	154.2	70%	0.695	79%	0.793	S	S	*	*			trans	-81.4	167.7	179.1	33.7	-35.5	0	0	0	112.5
863	N	22.6	Very low	22.9	Very low	156 Å²	156	152.3 Å²	152.3	83%	0.834	80%	0.796	S	S	*	*			trans	72.6	66.7	169.4	-56.6	-12.7	0	0	0	117.4
864	L	22.6	Very low	23	Very low	174 Å²	174	151.9 Å²	151.9	91%	0.911	80%	0.797	S	S	*	*			trans	-124.9	124	138.3	-93.7	167.1	0	0	0	108.5
865	Q	22.8	Very low	23.2	Very low	182 Å²	182	148.2 Å²	148.2	85%	0.85	79%	0.789	S	S	*	*			trans	-74.7	136.1	-178.3	-70.4	171.8	-79.6	0	0	110.3	N867	Q865-N867 VanDerWaalsContact C-N 3.32Å; Q865-N867 PolarHBondContact O-N 2.92Å
866	K	23	Very low	23.4	Very low	198 Å²	198	142.8 Å²	142.8	86%	0.861	77%	0.772	S	S	*	*			trans	-73.9	78.2	-179.6	-72.4	-173.7	175.1	-176.6	0	111.9
867	N	23.4	Very low	23.3	Very low	158 Å²	158	138.5 Å²	138.5	85%	0.845	77%	0.771	S	S	*	*			trans	-97	77.6	160.2	-71.5	22.3	0	0	0	107.8	Q865	Q865-N867 VanDerWaalsContact C-N 3.32Å; Q865-N867 PolarHBondContact O-N 2.92Å
868	S	21.9	Very low	23.3	Very low	89 Å²	89	137.7 Å²	137.7	62%	0.622	78%	0.78	S	S	*	*			trans	-125.5	35.9	-177.9	70.4	0	0	0	0	112.5	T870	S868-T870 VanDerWaalsContact C-N 3.26Å; S868-T870 PolarHBondContact O-N 3.43Å; S868-T870 VanDerWaalsContact O-N 3.13Å
869	E	21.7	Very low	23.4	Very low	195 Å²	195	138.6 Å²	138.6	91%	0.911	78%	0.779	S	S	*	*			trans	-74.8	86.8	157.2	-71.4	179	170.1	0	0	107.4	S871	E869-S871 VanDerWaalsContact C-N 3.34Å; E869-S871 PolarHBondContact O-N 3.31Å
870	T	22.7	Very low	23.4	Very low	128 Å²	128	135.6 Å²	135.6	79%	0.785	78%	0.777	S	S	*	*			trans	-71.7	93.7	173.6	51.4	0	0	0	0	108.5	S868 D872	S868-T870 VanDerWaalsContact C-N 3.26Å; S868-T870 PolarHBondContact O-N 3.43Å; S868-T870 VanDerWaalsContact O-N 3.13Å; T870-D872 PolarHBondContact O-N 3.44Å
871	S	22.8	Very low	23.5	Very low	98 Å²	98	135.4 Å²	135.4	69%	0.685	78%	0.777	S	S	*	*			trans	-41.1	127.4	177.8	56.5	0	0	0	0	112.5	E869 L873	E869-S871 VanDerWaalsContact C-N 3.34Å; E869-S871 PolarHBondContact O-N 3.31Å; S871-L873 PolarHBondContact O-N 2.83Å
872	D	25.6	Very low	23.6	Very low	132 Å²	132	135.4 Å²	135.4	71%	0.706	77%	0.774	S	S	*	*			trans	-53.5	121.8	176.4	-83.8	-42.1	0	0	0	111.1	T870 S874	T870-D872 PolarHBondContact O-N 3.44Å; D872-S874 PolarHBondContact O-N 3.03Å; D872-S874 PolarHBondContact O-OG 3.27Å
873	L	24.6	Very low	23.4	Very low	140 Å²	140	137.7 Å²	137.7	73%	0.733	78%	0.781	S	S	*	*			trans	-76.7	58.5	172.9	-71.7	173.9	0	0	0	111.2	S871 M875	S871-L873 PolarHBondContact O-N 2.83Å; L873-M875 PolarHBondContact O-N 3.49Å; L873-M875 VanDerWaalsContact O-N 3.14Å
874	S	24.7	Very low	23.5	Very low	100 Å²	100	137.7 Å²	137.7	70%	0.699	78%	0.781	S	S	*	*			trans	-76.1	86.1	169	50.3	0	0	0	0	109.5	D872	D872-S874 PolarHBondContact O-N 3.03Å; D872-S874 PolarHBondContact O-OG 3.27Å
875	M	25.3	Very low	23.3	Very low	133 Å²	133	137.7 Å²	137.7	66%	0.655	78%	0.776	S	S	*	*			trans	-118.8	70.7	-176.4	-73.7	-93.2	73.2	0	0	112.4	L873 I1094	L873-M875 PolarHBondContact O-N 3.49Å; L873-M875 VanDerWaalsContact O-N 3.14Å; M875-I1094 HydrophobicContact CB-CD1 4.24Å; M875-I1094 WeakPolarHBondContact O-CD1 3.25Å
876	S	24.9	Very low	23.3	Very low	76 Å²	76	138.4 Å²	138.4	53%	0.531	77%	0.772	S	S	.	*	S	Bend	trans	-159.6	114.8	158.3	57.8	0	0	0	0	109.3
877	G	23	Very low	23.2	Very low	72 Å²	72	140.6 Å²	140.6	74%	0.742	78%	0.777	S	S	*	*			trans	58.5	96	170.9	0	0	0	0	0	115.8	E879	G877-E879 PolarHBondContact O-N 2.97Å; G877-E879 VanDerWaalsContact O-N 3.16Å
878	G	22.7	Very low	23	Very low	89 Å²	89	137.3 Å²	137.3	92%	0.918	77%	0.767	S	S	*	*			trans	-80.6	90.7	173.7	0	0	0	0	0	112.2
879	E	22.6	Very low	23	Very low	183 Å²	183	136.5 Å²	136.5	86%	0.855	77%	0.772	S	S	*	*			trans	-131.1	97.9	167.1	-73	-177	178.5	0	0	109.9	G877	G877-E879 PolarHBondContact O-N 2.97Å; G877-E879 VanDerWaalsContact O-N 3.16Å
880	S	24.3	Very low	22.9	Very low	104 Å²	104	137.7 Å²	137.7	73%	0.727	77%	0.769	S	S	*	*			trans	-167.9	83.4	162.4	61.5	0	0	0	0	109.7	M882	S880-M882 PolarHBondContact O-N 2.89Å
881	D	22.8	Very low	22.9	Very low	167 Å²	167	139.6 Å²	139.6	89%	0.893	78%	0.775	S	S	*	*			trans	-66.8	115.8	163.2	-69.1	-46.1	0	0	0	108.5
882	M	24	Very low	22.9	Very low	163 Å²	163	144.2 Å²	144.2	80%	0.803	78%	0.783	S	S	*	*			trans	-143.7	96.7	165.3	-75.7	-62.1	-73.5	0	0	107.3	S880	S880-M882 PolarHBondContact O-N 2.89Å
883	D	23.1	Very low	23.3	Very low	155 Å²	155	143 Å²	143	83%	0.829	78%	0.782	S	S	*	*			trans	-59.1	135.3	175.1	-72.2	-54.3	0	0	0	110.9
884	N	24.3	Very low	23.3	Very low	155 Å²	155	142.8 Å²	142.8	83%	0.829	79%	0.786	S	S	*	*			trans	-157	82.8	160.1	-98.6	-58.4	0	0	0	109.4
885	E	19.1	Very low	23.1	Very low	175 Å²	175	145.7 Å²	145.7	82%	0.818	79%	0.789	S	S	*	*			trans	-67.7	137.2	162.6	-73.8	-163.7	137.2	0	0	109.9
886	Y	21.8	Very low	22.8	Very low	197 Å²	197	146.9 Å²	146.9	77%	0.773	80%	0.797	S	S	*	*			trans	51.2	115.4	165	-80.9	-102.2	0	0	0	118.5
887	Y	22.4	Very low	22.7	Very low	243 Å²	243	151.9 Å²	151.9	95%	0.953	81%	0.809	S	S	*	*				-146.4	149.1	115.2	-112.3	-75	0	0	0	111.7
888	S	19.7	Very low	22.5	Very low	90 Å²	90	155.7 Å²	155.7	63%	0.629	81%	0.812	S	S	*	*			trans	-122.1	112.2	-163.5	61.9	0	0	0	0	114.6
889	G	20	Very low	22.4	Very low	71 Å²	71	159.3 Å²	159.3	73%	0.732	81%	0.81	S	S	*	*			trans	74.6	179.1	150.5	0	0	0	0	0	117.7
890	Y	20.4	Very low	22.3	Very low	220 Å²	220	157.5 Å²	157.5	86%	0.863	81%	0.806	S	S	*	*			trans	62.3	105.2	-179.1	-56.5	-84.2	0	0	0	116.7
891	N	23.1	Very low	22.2	Very low	169 Å²	169	159 Å²	159	90%	0.904	81%	0.81	S	S	*	*				-152.6	168.4	100.9	-109.6	-46.2	0	0	0	113.5
892	K	22.8	Very low	22.3	Very low	195 Å²	195	155.4 Å²	155.4	85%	0.848	80%	0.796	S	S	*	*			trans	-114.6	169.3	-171.9	-106.5	-174.4	176.7	179.4	0	111.8
893	P	33.6	Very low	22.1	Very low	105 Å²	105	154.5 Å²	154.5	68%	0.682	80%	0.795	S	S	*	*			trans	-87.3	156.7	-153.2	34.4	-38.7	0	0	0	115.4
894	V	25.1	Very low	22.1	Very low	136 Å²	136	154.5 Å²	154.5	82%	0.824	80%	0.795	S	S	*	*			trans	-81.5	139.7	161.5	177.6	0	0	0	0	109.8
895	Q	19.7	Very low	22	Very low	161 Å²	161	155.1 Å²	155.1	75%	0.752	79%	0.793	S	S	*	*			trans	-119.8	122.6	175.3	-67.2	-178.3	-11.2	0	0	111.3
896	L	20.4	Very low	22.2	Very low	159 Å²	159	152.1 Å²	152.1	83%	0.832	79%	0.786	S	S	*	*			trans	-138.6	104.6	148.1	-84.9	105.2	0	0	0	106.6
897	K	21.5	Very low	22.2	Very low	180 Å²	180	152.4 Å²	152.4	78%	0.783	79%	0.792	S	S	*	*				71.1	92	78.7	-78	-167.3	172.4	-176.9	0	113.5
898	N	19.5	Very low	22.1	Very low	152 Å²	152	145.6 Å²	145.6	81%	0.813	78%	0.78	S	S	*	*			trans	33.9	120	136.9	-52.4	12.7	0	0	0	119
899	L	20.8	Very low	22.3	Very low	166 Å²	166	147.6 Å²	147.6	87%	0.869	79%	0.788	S	S	*	*				-139.8	120.8	129.2	-105.4	167.8	0	0	0	108.4
900	N	19.8	Very low	22.4	Very low	144 Å²	144	151.9 Å²	151.9	77%	0.77	79%	0.794	S	S	*	*			trans	-89.5	129.8	170.2	-75.2	0	0	0	0	108.4
901	V	23.1	Very low	22.4	Very low	135 Å²	135	147.1 Å²	147.1	82%	0.818	79%	0.792	S	S	*	*			trans	-133.5	108.2	156	-177.3	0	0	0	0	106.2
902	P	23.6	Very low	22.4	Very low	92 Å²	92	144.5 Å²	144.5	60%	0.597	79%	0.787	S	S	*	*			trans	-76.7	161.2	174.5	-9.9	27.4	0	0	0	112
903	D	20.9	Very low	22.4	Very low	144 Å²	144	144.5 Å²	144.5	77%	0.77	79%	0.787	S	S	*	*			trans	41.3	122.6	138.8	-44.1	-28.8	0	0	0	119.3
904	D	22.1	Very low	21.9	Very low	155 Å²	155	147.8 Å²	147.8	83%	0.829	79%	0.793	S	S	*	*				-168.2	179.6	98	-122.2	-40.2	0	0	0	114.5
905	E	23.5	Very low	21.8	Very low	168 Å²	168	148.5 Å²	148.5	79%	0.785	79%	0.792	S	S	*	*			trans	67.2	71.3	163	-71.2	-175.4	-172.4	0	0	119.8
906	V	22.5	Very low	21.9	Very low	112 Å²	112	147.3 Å²	147.3	68%	0.679	80%	0.796	S	S	*	*				30.4	115.6	109.8	-174.5	0	0	0	0	118
907	F	22.7	Very low	21.8	Very low	203 Å²	203	148.4 Å²	148.4	89%	0.89	80%	0.799	S	S	*	*			trans	-142.4	94.8	142.9	-103.9	-74.1	0	0	0	111.7
908	S	19.7	Very low	21.8	Very low	101 Å²	101	147.8 Å²	147.8	71%	0.706	80%	0.799	S	S	*	*			trans	-94.1	122.3	173.5	-56.6	0	0	0	0	110.3
909	T	23.8	Very low	21.9	Very low	132 Å²	132	145.7 Å²	145.7	81%	0.81	80%	0.796	S	S	*	*			trans	-143.5	117.6	161.5	30.8	0	0	0	0	110
910	D	20.9	Very low	21.9	Very low	160 Å²	160	144 Å²	144	86%	0.856	79%	0.787	S	S	*	*			trans	-75.1	136.9	-177.5	-68.8	-77.1	0	0	0	112.7
911	C	21.7	Very low	22	Very low	120 Å²	120	142.9 Å²	142.9	81%	0.811	78%	0.78	S	S	*	*			trans	-137.3	104.8	163.6	-88.7	0	0	0	0	108.9	K913	C911-K913 PolarHBondContact O-N 3Å
912	S	21.9	Very low	22	Very low	114 Å²	114	141.8 Å²	141.8	80%	0.797	77%	0.77	S	S	*	*			trans	-68.8	95.8	-170	41.3	0	0	0	0	112.8	H914	S912-H914 PolarHBondContact O-N 3.39Å; S912-H914 VanDerWaalsContact O-N 3.13Å
913	K	24.6	Very low	21.9	Very low	195 Å²	195	142.8 Å²	142.8	85%	0.848	78%	0.78	S	S	*	*			trans	-67.5	108.6	170.4	-71.4	179.1	179.9	172.5	0	110.2	C911 N915	C911-K913 PolarHBondContact O-N 3Å; K913-N915 PolarHBondContact O-N 3.28Å
914	H	22.9	Very low	21.9	Very low	174 Å²	174	142.9 Å²	142.9	81%	0.806	78%	0.779	S	S	*	*			trans	-58.9	122.7	169.3	-91.6	-89.7	0	0	0	110.7	S912 T916	S912-H914 PolarHBondContact O-N 3.39Å; S912-H914 VanDerWaalsContact O-N 3.13Å; H914-T916 PolarHBondContact O-N 2.65Å
915	N	22	Very low	22	Very low	152 Å²	152	140.3 Å²	140.3	81%	0.813	77%	0.773	S	S	*	*			trans	-66.6	94.8	-177.7	-80.4	-44.3	0	0	0	112.3	K913	K913-N915 PolarHBondContact O-N 3.28Å
916	T	21.2	Very low	22	Very low	136 Å²	136	141.2 Å²	141.2	83%	0.834	78%	0.777	S	S	*	*			trans	-108.4	83.6	165.1	29.3	0	0	0	0	110.4	H914	H914-T916 PolarHBondContact O-N 2.65Å
917	M	19.1	Very low	22.1	Very low	182 Å²	182	144.1 Å²	144.1	90%	0.897	78%	0.783	S	S	*	*			trans	49.2	90.8	160.1	-149.6	102.3	73.8	0	0	116.5	S919	M917-S919 PolarHBondContact O-N 3.1Å
918	Q	22	Very low	22.4	Very low	166 Å²	166	139.1 Å²	139.1	78%	0.776	77%	0.771	S	S	*	*			trans	-52.8	122.4	172.6	-68.5	169.3	-22.2	0	0	111.7	I920	Q918-I920 PolarHBondContact O-N 3.42Å; Q918-I920 VanDerWaalsContact O-N 3.17Å
919	S	20.9	Very low	23	Very low	108 Å²	108	142 Å²	142	76%	0.755	78%	0.775	S	S	*	*			trans	-73.9	99.5	167.4	52.8	0	0	0	0	109.3	M917 D921	M917-S919 PolarHBondContact O-N 3.1Å; S919-D921 PolarHBondContact O-N 3.34Å
920	I	21.3	Very low	24.2	Very low	132 Å²	132	138.8 Å²	138.8	68%	0.677	75%	0.753	S	S	*	*			trans	-71.2	120.3	176.5	-64.5	174.5	0	0	0	109.2	Q918 N922	Q918-I920 PolarHBondContact O-N 3.42Å; Q918-I920 VanDerWaalsContact O-N 3.17Å; I920-N922 PolarHBondContact O-N 3.01Å
921	D	21.3	Very low	26.1	Very low	119 Å²	119	131.9 Å²	131.9	64%	0.636	72%	0.717	S	S	*	*			trans	-67.6	90.9	179.6	-70	-53.4	0	0	0	111.6	S919 S923	S919-D921 PolarHBondContact O-N 3.34Å; D921-S923 PolarHBondContact O-N 2.73Å; D921-S923 PolarHBondContact O-OG 3.41Å
922	N	23	Very low	28.1	Very low	112 Å²	112	126.1 Å²	126.1	60%	0.599	68%	0.678	S	S	*	*			trans	-68.2	73.3	174	-82	-25.8	0	0	0	111.4	I920 L924 H1149	I920-N922 PolarHBondContact O-N 3.01Å; N922-L924 PolarHBondContact O-N 3.4Å; N922-H1149 PolarHBondContact ND2-NE2 2.87Å; N922-H1149 VanDerWaalsContact ND2-NE2 3.15Å
923	S	22.2	Very low	30.2	Very low	114 Å²	114	121 Å²	121	80%	0.797	64%	0.642	S	S	*	*			trans	-80.7	71.2	-175.9	40.2	0	0	0	0	112.3	D921	D921-S923 PolarHBondContact O-N 2.73Å; D921-S923 PolarHBondContact O-OG 3.41Å
924	L	21.1	Very low	32.5	Very low	146 Å²	146	114.5 Å²	114.5	76%	0.764	62%	0.617	S	S	*	*			trans	-116.7	103.4	177.8	-86.7	164.5	0	0	0	113.2	N922	N922-L924 PolarHBondContact O-N 3.4Å
925	S	23	Very low	35.2	Very low	100 Å²	100	108 Å²	108	70%	0.699	59%	0.585	S	S	*	*			trans	50.9	60.6	156.2	64.3	0	0	0	0	118	H927	S925-H927 PolarHBondContact O-N 3.22Å
926	H	24.9	Very low	37.8	Very low	188 Å²	188	100.7 Å²	100.7	87%	0.87	55%	0.546	S	S	*	.			trans	-74.5	98.3	147.3	-81.6	-80.6	0	0	0	109	P928	H926-P928 WeakPolarHBondContact O-CD 3.5Å
927	H	24	Very low	40.8	Very low	172 Å²	172	95.7 Å²	95.7	80%	0.796	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-66.7	118.9	154	-77.1	-81.1	0	0	0	107	S925 M929	S925-H927 PolarHBondContact O-N 3.22Å; H927-M929 PolarHBondContact O-N 3.43Å
928	P	28.6	Very low	43.8	Very low	99 Å²	99	87.5 Å²	87.5	64%	0.643	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-64.4	126.7	175.7	27	-32.6	0	0	0	108.4	H926 N930	H926-P928 WeakPolarHBondContact O-CD 3.5Å; P928-N930 PolarHBondContact O-N 3.46Å
929	M	32.2	Very low	46.6	Very low	161 Å²	161	79.7 Å²	79.7	79%	0.793	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-57.9	134.1	163	-82.5	-80.2	151.3	0	0	107.8	H927 S931	H927-M929 PolarHBondContact O-N 3.43Å; M929-S931 VanDerWaalsContact C-N 3.28Å; M929-S931 PolarHBondContact O-N 3.47Å
930	N	50.4	Low	49.8	Very low	64 Å²	64	74.6 Å²	74.6	34%	0.342	40%	0.402	S	S	.	.			trans	-67.2	90.1	174.2	-86.7	-12	0	0	0	108.4	P928 Y1095 K1096	P928-N930 PolarHBondContact O-N 3.46Å; N930-Y1095 HydrophobicContact CB-CD1 3.65Å; N930-Y1095 HydrophobicContact CB-CE1 3.87Å; N930-Y1095 VanDerWaalsContact O-CA 3.25Å; N930-Y1095 WeakPolarHBondContact O-CA 3.25Å; N930-K1096 PolarHBondContact O-N 3.25Å
931	S	59.7	Low	53	Low	15 Å²	15	68.5 Å²	68.5	11%	0.105	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-72.1	154.6	179.8	70.2	0	0	0	0	111	M929 M933 N934 R935 Y1095 K1096	M929-S931 VanDerWaalsContact C-N 3.28Å; M929-S931 PolarHBondContact O-N 3.47Å; S931-M933 VanDerWaalsContact C-N 3.25Å; S931-M933 PolarHBondContact O-N 2.6Å; S931-N934 PolarHBondContact O-N 2.86Å; S931-N934 WeakPolarHBondContact OG-CB 3.38Å; S931-N934 PolarHBondContact OG-N 3.29Å; S931-N934 PolarHBondContact OG-OD1 2.85Å; S931-R935 PolarHBondContact O-N 3.45Å; S931-Y1095 WeakPolarHBondContact O-CD1 3.49Å; S931-K1096 VanDerWaalsContact CA-O 3.28Å; S931-K1096 WeakPolarHBondContact CA-O 3.26Å
932	T	63.4	Low	56.1	Low	0 Å²	0	66 Å²	66	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-37.7	169.7	48.4	0	0	0	0	111.5	Y651 D652 R935 L936 K1096 P1097	Y651-T932 HydrophobicContact CD1-CG2 3.99Å; Y651-T932 HydrophobicContact CE1-CG2 3.72Å; D652-T932 WeakPolarHBondContact OD1-CB 3.42Å; D652-T932 VanDerWaalsContact OD1-CG2 3.27Å; D652-T932 WeakPolarHBondContact OD1-CG2 2.96Å; D652-T932 PolarHBondContact OD1-OG1 3.01Å; T932-R935 WeakPolarHBondContact O-CB 3.25Å; T932-R935 PolarHBondContact O-N 3.37Å; T932-R935 VanDerWaalsContact O-N 3.16Å; T932-L936 PolarHBondContact O-N 3.46Å; T932-K1096 PolarHBondContact N-O 3.08Å; T932-P1097 HydrophobicContact CG2-CB 4.32Å; T932-P1097 WeakPolarHBondContact OG1-CA 3.33Å
933	M	67.1	Low	59.1	Low	6 Å²	6	61.4 Å²	61.4	3%	0.03	33%	0.326	C	S	.	.	H	α-helix	trans	-56.1	-50.4	173.5	-56.5	125.6	90.3	0	0	112.2	L648 F802 Y803 S931 R935 L936 E937 M1098 L1103	L648-M933 HydrophobicContact CD1-CG 3.86Å; L648-M933 HydrophobicContact CD2-CG 3.52Å; L648-M933 HydrophobicContact CG-CG 4.37Å; F802-M933 HydrophobicContact CB-CB 4.11Å; F802-M933 HydrophobicContact CB-CE 4.27Å; F802-M933 HydrophobicContact CB-CG 4.19Å; F802-M933 HydrophobicContact CD1-CG 4.46Å; F802-M933 HydrophobicContact CD2-CB 3.92Å; F802-M933 HydrophobicContact CG-CB 4.01Å; F802-M933 HydrophobicContact CG-CG 4.16Å; F802-M933 WeakPolarHBondContact O-CE 3.48Å; Y803-M933 HydrophobicContact CD1-CE 4.36Å; Y803-M933 HydrophobicContact CE1-CB 4.34Å; Y803-M933 HydrophobicContact CE1-CE 4.28Å; S931-M933 VanDerWaalsContact C-N 3.25Å; S931-M933 PolarHBondContact O-N 2.6Å; M933-R935 PolarHBondContact O-N 3.41Å; M933-L936 PolarHBondContact O-N 2.91Å; M933-L936 VanDerWaalsContact O-N 3.15Å; M933-E937 WeakPolarHBondContact O-CB 3.31Å; M933-E937 PolarHBondContact O-N 3.48Å; M933-M1098 HydrophobicContact CE-SD 3.98Å; M933-M1098 HydrophobicContact SD-CB 4.07Å; M933-M1098 HydrophobicContact SD-SD 4.39Å; M933-L1103 HydrophobicContact CE-CD2 4.39Å
934	N	72.5	Confident	62.1	Low	59 Å²	59	56 Å²	56	32%	0.316	29%	0.289	S	S	.	.	H	α-helix	trans	-60.5	-32.2	178.6	-66.3	6.6	0	0	0	112	Y803 S931 A938	Y803-N934 PolarHBondContact OH-OD1 2.87Å; Y803-N934 VanDerWaalsContact OH-OD1 3.12Å; S931-N934 PolarHBondContact O-N 2.86Å; S931-N934 WeakPolarHBondContact OG-CB 3.38Å; S931-N934 PolarHBondContact OG-N 3.29Å; S931-N934 PolarHBondContact OG-OD1 2.85Å; N934-A938 WeakPolarHBondContact O-CB 3.33Å; N934-A938 PolarHBondContact O-N 3.07Å; N934-A938 VanDerWaalsContact O-N 3.11Å
935	R	78.7	Confident	65.3	Low	36 Å²	36	49.2 Å²	49.2	14%	0.136	25%	0.253	C	S	.	.	H	α-helix	trans	-73.7	-40.4	177.1	174.8	57.7	-180	-170.5	11.2	111.7	Y651 S931 T932 M933 A938 I939 R1081 Y1095	Y651-R935 HydrophobicContact CE1-CG 4.41Å; Y651-R935 WeakPolarHBondContact OH-CG 3.39Å; S931-R935 PolarHBondContact O-N 3.45Å; T932-R935 WeakPolarHBondContact O-CB 3.25Å; T932-R935 PolarHBondContact O-N 3.37Å; T932-R935 VanDerWaalsContact O-N 3.16Å; M933-R935 PolarHBondContact O-N 3.41Å; R935-A938 PolarHBondContact O-N 2.94Å; R935-I939 HydrophobicContact CG-CD1 4.24Å; R935-I939 WeakPolarHBondContact O-CG1 3.33Å; R935-I939 PolarHBondContact O-N 3.06Å; R935-R1081 PolarHBondContact NH2-O 3.15Å; R935-Y1095 HydrophobicContact CB-CD1 3.65Å; R935-Y1095 HydrophobicContact CB-CD2 4.28Å; R935-Y1095 HydrophobicContact CB-CE1 3.75Å; R935-Y1095 HydrophobicContact CB-CE2 4.35Å; R935-Y1095 HydrophobicContact CB-CG 3.95Å; R935-Y1095 HydrophobicContact CG-CD1 4.34Å; R935-Y1095 HydrophobicContact CG-CD2 4.08Å; R935-Y1095 HydrophobicContact CG-CE1 4.3Å; R935-Y1095 HydrophobicContact CG-CE2 4.02Å; R935-Y1095 HydrophobicContact CG-CG 4.25Å
936	L	78	Confident	68.3	Low	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70.8	-45.9	-179.3	-153.6	168.2	0	0	0	111	L648 I737 F802 T932 M933 A938 I939 F940	L648-L936 VanDerWaalsContact CA-CD1 3.41Å; L648-L936 HydrophobicContact CB-CD1 3.85Å; L648-L936 HydrophobicContact CD1-CD1 4.26Å; I737-L936 HydrophobicContact CD1-CD2 3.48Å; I737-L936 VanDerWaalsContact CD1-CD2 3.48Å; I737-L936 HydrophobicContact CD1-CG 3.8Å; I737-L936 HydrophobicContact CG1-CD2 3.87Å; F802-L936 HydrophobicContact CE2-CB 4.33Å; F802-L936 HydrophobicContact CE2-CD2 4.47Å; F802-L936 HydrophobicContact CZ-CB 4.39Å; F802-L936 HydrophobicContact CZ-CD1 4.21Å; F802-L936 HydrophobicContact CZ-CD2 4.07Å; F802-L936 HydrophobicContact CZ-CG 4.46Å; T932-L936 PolarHBondContact O-N 3.46Å; M933-L936 PolarHBondContact O-N 2.91Å; M933-L936 VanDerWaalsContact O-N 3.15Å; L936-A938 VanDerWaalsContact C-N 3.34Å; L936-A938 PolarHBondContact O-N 2.96Å; L936-I939 PolarHBondContact O-N 2.81Å; L936-F940 PolarHBondContact O-N 3.2Å
937	E	83	Confident	71.1	Confident	31 Å²	31	36.9 Å²	36.9	15%	0.145	19%	0.186	C	C	.	.	H	α-helix	trans	-55.3	-47.5	170	176.4	173.7	-152.8	0	0	111.6	F798 F802 Y803 M933 I939 F940 W941	F798-E937 HydrophobicContact CD1-CB 4.11Å; F798-E937 HydrophobicContact CD1-CG 4.11Å; F798-E937 HydrophobicContact CE1-CB 4.04Å; F798-E937 HydrophobicContact CE1-CG 4.23Å; F798-E937 HydrophobicContact CG-CG 4.43Å; F802-E937 HydrophobicContact CD2-CB 4.45Å; F802-E937 HydrophobicContact CE2-CB 4.28Å; Y803-E937 VanDerWaalsContact CE2-OE2 3.3Å; Y803-E937 WeakPolarHBondContact CE2-OE2 3.46Å; Y803-E937 PolarHBondContact OH-OE2 2.95Å; M933-E937 WeakPolarHBondContact O-CB 3.31Å; M933-E937 PolarHBondContact O-N 3.48Å; E937-I939 PolarHBondContact O-N 3.25Å; E937-F940 PolarHBondContact O-N 2.8Å; E937-W941 VanDerWaalsContact CG-CD1 3.46Å; E937-W941 VanDerWaalsContact O-CD1 3.28Å; E937-W941 PolarHBondContact O-N 2.75Å
938	A	81.6	Confident	74	Confident	9 Å²	9	29 Å²	29	7%	0.074	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-38.4	178.2	0	0	0	0	0	113.3	N934 R935 L936 R942 H991	N934-A938 WeakPolarHBondContact O-CB 3.33Å; N934-A938 PolarHBondContact O-N 3.07Å; N934-A938 VanDerWaalsContact O-N 3.11Å; R935-A938 PolarHBondContact O-N 2.94Å; L936-A938 VanDerWaalsContact C-N 3.34Å; L936-A938 PolarHBondContact O-N 2.96Å; A938-R942 WeakPolarHBondContact O-CB 3.49Å; A938-R942 WeakPolarHBondContact O-CD 3.5Å; A938-R942 WeakPolarHBondContact O-CG 3.36Å; A938-R942 PolarHBondContact O-N 2.79Å; A938-H991 WeakPolarHBondContact CB-NE2 3.32Å
939	I	82.3	Confident	76.8	Confident	3 Å²	3	24.4 Å²	24.4	2%	0.015	12%	0.12	C	C	.	.	H	α-helix	trans	-66.2	-47.9	175.5	-75.1	167.7	0	0	0	110.5	I737 R935 L936 E937 R942 R943 E1080 L1082	I737-I939 HydrophobicContact CD1-CG2 4.46Å; I737-I939 HydrophobicContact CG2-CG2 4.37Å; R935-I939 HydrophobicContact CG-CD1 4.24Å; R935-I939 WeakPolarHBondContact O-CG1 3.33Å; R935-I939 PolarHBondContact O-N 3.06Å; L936-I939 PolarHBondContact O-N 2.81Å; E937-I939 PolarHBondContact O-N 3.25Å; I939-R942 PolarHBondContact O-N 2.78Å; I939-R943 HydrophobicContact CG2-CG 4.41Å; I939-R943 WeakPolarHBondContact O-CG 3.43Å; I939-R943 PolarHBondContact O-N 3.32Å; I939-E1080 HydrophobicContact CG1-CB 4.38Å; I939-E1080 WeakPolarHBondContact CG2-O 3.45Å; I939-L1082 HydrophobicContact CD1-CD2 3.43Å; I939-L1082 VanDerWaalsContact CD1-CD2 3.43Å; I939-L1082 HydrophobicContact CD1-CG 4.23Å
940	F	88	Confident	79.3	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.8	-52.8	-178.8	177.1	-86.9	0	0	0	111.6	F644 L740 I741 T744 L794 F798 L936 E937 R942 R943 L944	F644-F940 HydrophobicContact CE1-CB 4.33Å; F644-F940 HydrophobicContact CE1-CD1 4.36Å; F644-F940 AromaticContact CE1-CD2 3.61Å; F644-F940 HydrophobicContact CE1-CD2 3.61Å; F644-F940 AromaticContact CE1-CE2 3.99Å; F644-F940 HydrophobicContact CE1-CE2 3.99Å; F644-F940 AromaticContact CE1-CG 3.82Å; F644-F940 HydrophobicContact CE1-CG 3.82Å; F644-F940 HydrophobicContact CZ-CD1 4.17Å; F644-F940 AromaticContact CZ-CD2 3.87Å; F644-F940 HydrophobicContact CZ-CD2 3.87Å; F644-F940 HydrophobicContact CZ-CE1 4.14Å; F644-F940 AromaticContact CZ-CE2 3.81Å; F644-F940 HydrophobicContact CZ-CE2 3.81Å; F644-F940 HydrophobicContact CZ-CG 4.05Å; F644-F940 AromaticContact CZ-CZ 3.97Å; F644-F940 HydrophobicContact CZ-CZ 3.97Å; L740-F940 HydrophobicContact CB-CE2 4.19Å; I741-F940 HydrophobicContact CD1-CD2 4.31Å; I741-F940 HydrophobicContact CG1-CD2 3.61Å; I741-F940 HydrophobicContact CG1-CE2 3.59Å; T744-F940 HydrophobicContact CG2-CZ 4.25Å; L794-F940 HydrophobicContact CD1-CE1 4.3Å; L794-F940 HydrophobicContact CD1-CZ 4.2Å; L794-F940 HydrophobicContact CD2-CD1 4.47Å; L794-F940 HydrophobicContact CD2-CE1 3.61Å; L794-F940 HydrophobicContact CD2-CZ 4.2Å; F798-F940 AromaticContact CE2-CD1 3.58Å; F798-F940 HydrophobicContact CE2-CD1 3.58Å; F798-F940 AromaticContact CE2-CE1 3.99Å; F798-F940 HydrophobicContact CE2-CE1 3.99Å; F798-F940 HydrophobicContact CE2-CG 4.28Å; F798-F940 HydrophobicContact CZ-CB 3.81Å; F798-F940 AromaticContact CZ-CD1 3.43Å; F798-F940 HydrophobicContact CZ-CD1 3.43Å; F798-F940 VanDerWaalsContact CZ-CD1 3.43Å; F798-F940 HydrophobicContact CZ-CE1 4.2Å; F798-F940 AromaticContact CZ-CG 3.67Å; F798-F940 HydrophobicContact CZ-CG 3.67Å; L936-F940 PolarHBondContact O-N 3.2Å; E937-F940 PolarHBondContact O-N 2.8Å; F940-R942 VanDerWaalsContact C-N 3.27Å; F940-R942 PolarHBondContact O-N 2.95Å; F940-R943 PolarHBondContact O-N 2.83Å; F940-L944 HydrophobicContact CE1-CB 4.18Å; F940-L944 HydrophobicContact CE1-CD2 3.73Å; F940-L944 HydrophobicContact CZ-CB 4.48Å; F940-L944 HydrophobicContact CZ-CD2 4.16Å; F940-L944 WeakPolarHBondContact O-CB 3.31Å; F940-L944 PolarHBondContact O-N 2.91Å
941	W	88	Confident	80.9	Confident	4 Å²	4	19.6 Å²	19.6	2%	0.015	9%	0.091	C	C	.	.	H	α-helix	trans	-61.2	-36.5	-176.5	-80.2	114.4	0	0	0	112.6	L791 L794 A795 F798 E937 L944 L945 W982 L988 H991	L791-W941 HydrophobicContact CD2-CZ3 4.17Å; L794-W941 HydrophobicContact CD2-CH2 3.61Å; L794-W941 HydrophobicContact CD2-CZ2 3.77Å; L794-W941 HydrophobicContact CD2-CZ3 4.25Å; A795-W941 HydrophobicContact CB-CH2 4.49Å; A795-W941 HydrophobicContact CB-CZ2 4.14Å; F798-W941 AromaticContact CD2-CE2 3.99Å; F798-W941 AromaticContact CD2-CZ2 3.97Å; F798-W941 HydrophobicContact CD2-CZ2 3.97Å; F798-W941 AromaticContact CD2-NE1 3.68Å; F798-W941 AromaticContact CE2-CE2 3.83Å; F798-W941 HydrophobicContact CE2-CZ2 4.06Å; F798-W941 AromaticContact CE2-NE1 3.6Å; E937-W941 VanDerWaalsContact CG-CD1 3.46Å; E937-W941 VanDerWaalsContact O-CD1 3.28Å; E937-W941 PolarHBondContact O-N 2.75Å; W941-L944 HydrophobicContact CE3-CD2 4Å; W941-L944 HydrophobicContact CZ3-CD2 3.88Å; W941-L945 WeakPolarHBondContact O-CB 3.19Å; W941-L945 WeakPolarHBondContact O-CG 3.31Å; W941-L945 PolarHBondContact O-N 2.72Å; W941-W982 AromaticContact CH2-CH2 3.72Å; W941-W982 HydrophobicContact CH2-CH2 3.72Å; W941-W982 HydrophobicContact CH2-CZ3 4.14Å; W941-W982 HydrophobicContact CZ2-CH2 4.37Å; W941-W982 HydrophobicContact CZ3-CH2 4.23Å; W941-W982 HydrophobicContact CZ3-CZ3 4.2Å; W941-L988 HydrophobicContact CD2-CD1 3.9Å; W941-L988 VanDerWaalsContact CE2-CD1 3.5Å; W941-L988 HydrophobicContact CE3-CD1 4.42Å; W941-L988 HydrophobicContact CG-CD1 4.34Å; W941-L988 HydrophobicContact CG-CD2 4.28Å; W941-L988 HydrophobicContact CH2-CD1 4.29Å; W941-L988 HydrophobicContact CZ2-CD1 3.73Å; W941-H991 HydrophobicContact CB-CB 4.48Å
942	R	85.6	Confident	82.1	Confident	68 Å²	68	19 Å²	19	26%	0.257	9%	0.087	S	C	.	.	H	α-helix	trans	-75.6	-40	179.4	-65.4	175.9	-160.3	-174.1	3.2	112.6	A938 I939 F940 L944 L945 A946 H991 P994 E1080	A938-R942 WeakPolarHBondContact O-CB 3.49Å; A938-R942 WeakPolarHBondContact O-CD 3.5Å; A938-R942 WeakPolarHBondContact O-CG 3.36Å; A938-R942 PolarHBondContact O-N 2.79Å; I939-R942 PolarHBondContact O-N 2.78Å; F940-R942 VanDerWaalsContact C-N 3.27Å; F940-R942 PolarHBondContact O-N 2.95Å; R942-L944 VanDerWaalsContact C-N 3.32Å; R942-L944 PolarHBondContact O-N 2.93Å; R942-L945 PolarHBondContact O-N 3.21Å; R942-A946 VanDerWaalsContact O-CB 3.25Å; R942-A946 WeakPolarHBondContact O-CB 3.24Å; R942-A946 PolarHBondContact O-N 2.9Å; R942-H991 HydrophobicContact CG-CB 3.64Å; R942-H991 PolarHBondContact NE-ND1 2.91Å; R942-P994 HydrophobicContact CB-CG 4.32Å; R942-E1080 WeakPolarHBondContact CB-OE2 3.48Å; R942-E1080 WeakPolarHBondContact CD-OE1 3.36Å; R942-E1080 VanDerWaalsContact CD-OE2 3.32Å; R942-E1080 WeakPolarHBondContact CD-OE2 3.47Å; R942-E1080 IonicContact CZ-OE1 2.86Å; R942-E1080 IonicContact NE-OE1 2.71Å; R942-E1080 IonicContact NH1-OE1 2.64Å; R942-E1080 PolarHBondContact NH1-OE1 2.71Å
943	R	86.1	Confident	83.1	Confident	14 Å²	14	19.2 Å²	19.2	5%	0.053	9%	0.088	C	C	.	.	H	α-helix	trans	-62.5	-39.1	170.8	-69.5	-174.9	-171.8	174.8	15.5	111.3	D734 D738 I741 I939 F940 A946 N947 E1080	D734-R943 IonicContact OD1-CZ 2.67Å; D734-R943 VanDerWaalsContact OD1-CZ 3.24Å; D734-R943 IonicContact OD1-NH1 2.82Å; D734-R943 PolarHBondContact OD1-NH1 3.36Å; D734-R943 IonicContact OD1-NH2 3.23Å; D734-R943 PolarHBondContact OD1-NH2 3.42Å; D734-R943 IonicContact OD2-NH2 3.73Å; D738-R943 IonicContact OD1-CZ 2.74Å; D738-R943 IonicContact OD1-NH1 2.8Å; D738-R943 PolarHBondContact OD1-NH1 3.34Å; D738-R943 IonicContact OD2-NH1 3.51Å; I741-R943 HydrophobicContact CD1-CB 3.48Å; I741-R943 VanDerWaalsContact CD1-CB 3.48Å; I741-R943 VanDerWaalsContact CD1-CD 3.42Å; I741-R943 HydrophobicContact CD1-CG 4.08Å; I741-R943 HydrophobicContact CG1-CB 4.38Å; I939-R943 HydrophobicContact CG2-CG 4.41Å; I939-R943 WeakPolarHBondContact O-CG 3.43Å; I939-R943 PolarHBondContact O-N 3.32Å; F940-R943 PolarHBondContact O-N 2.83Å; R943-A946 PolarHBondContact O-N 3.48Å; R943-N947 PolarHBondContact O-N 2.92Å; R943-N947 PolarHBondContact O-OD1 2.74Å; R943-E1080 PolarHBondContact NH2-O 3.04Å
944	L	87	Confident	83.9	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-64.2	-48	173.9	-179.5	64.3	0	0	0	111.7	L794 F940 W941 R942 A946 N947 I948	L794-L944 HydrophobicContact CD1-CD2 4.46Å; F940-L944 HydrophobicContact CE1-CB 4.18Å; F940-L944 HydrophobicContact CE1-CD2 3.73Å; F940-L944 HydrophobicContact CZ-CB 4.48Å; F940-L944 HydrophobicContact CZ-CD2 4.16Å; F940-L944 WeakPolarHBondContact O-CB 3.31Å; F940-L944 PolarHBondContact O-N 2.91Å; W941-L944 HydrophobicContact CE3-CD2 4Å; W941-L944 HydrophobicContact CZ3-CD2 3.88Å; R942-L944 VanDerWaalsContact C-N 3.32Å; R942-L944 PolarHBondContact O-N 2.93Å; L944-A946 VanDerWaalsContact C-N 3.3Å; L944-A946 PolarHBondContact O-N 3.29Å; L944-N947 PolarHBondContact O-N 3.1Å; L944-N947 VanDerWaalsContact O-N 3.14Å; L944-I948 HydrophobicContact CD1-CD1 4.3Å; L944-I948 HydrophobicContact CG-CD1 3.96Å; L944-I948 WeakPolarHBondContact O-CG1 3.27Å; L944-I948 PolarHBondContact O-N 3.11Å
945	L	87.8	Confident	84.3	Confident	4 Å²	4	18.9 Å²	18.9	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-65.4	-32	177.9	-72	168.8	0	0	0	112.8	W941 R942 I948 S949 L979 L983 H991 P994 L995	W941-L945 WeakPolarHBondContact O-CB 3.19Å; W941-L945 WeakPolarHBondContact O-CG 3.31Å; W941-L945 PolarHBondContact O-N 2.72Å; R942-L945 PolarHBondContact O-N 3.21Å; L945-I948 HydrophobicContact CD2-CD1 4.42Å; L945-S949 PolarHBondContact O-N 2.93Å; L945-S949 PolarHBondContact O-OG 2.86Å; L945-L979 HydrophobicContact CD2-CD2 4.22Å; L945-L983 HydrophobicContact CD1-CD1 4.13Å; L945-L983 HydrophobicContact CD1-CD2 4.32Å; L945-L983 HydrophobicContact CD2-CD1 4.25Å; L945-H991 HydrophobicContact CD1-CB 4.49Å; L945-H991 WeakPolarHBondContact CD1-O 3.41Å; L945-P994 HydrophobicContact CB-CB 4.22Å; L945-P994 HydrophobicContact CB-CG 4.37Å; L945-L995 HydrophobicContact CB-CD2 4.48Å; L945-L995 HydrophobicContact CD2-CD1 4.17Å; L945-L995 HydrophobicContact CD2-CD2 4.1Å; L945-L995 HydrophobicContact CD2-CG 4.25Å
946	A	84.9	Confident	84.5	Confident	2 Å²	2	17.6 Å²	17.6	2%	0.017	8%	0.083	C	C	.	.	H	α-helix	trans	-67	-40.5	171.1	0	0	0	0	0	111.7	R942 R943 L944 S949 Y950 P994 L1073 W1076	R942-A946 VanDerWaalsContact O-CB 3.25Å; R942-A946 WeakPolarHBondContact O-CB 3.24Å; R942-A946 PolarHBondContact O-N 2.9Å; R943-A946 PolarHBondContact O-N 3.48Å; L944-A946 VanDerWaalsContact C-N 3.3Å; L944-A946 PolarHBondContact O-N 3.29Å; A946-S949 PolarHBondContact O-N 2.88Å; A946-S949 PolarHBondContact O-OG 2.83Å; A946-Y950 WeakPolarHBondContact O-CB 3.14Å; A946-Y950 PolarHBondContact O-N 3.18Å; A946-P994 HydrophobicContact CB-CB 3.86Å; A946-P994 HydrophobicContact CB-CG 4.31Å; A946-L1073 HydrophobicContact CB-CD2 3.77Å; A946-L1073 WeakPolarHBondContact O-CD2 3.16Å; A946-W1076 HydrophobicContact CB-CE3 4.07Å
947	N	83.6	Confident	84.5	Confident	27 Å²	27	18.4 Å²	18.4	14%	0.144	9%	0.087	C	C	.	.	H	α-helix	trans	-68.8	-38.8	174.1	-70.7	4.8	0	0	0	111.6	I741 C745 R943 L944 S949 Y950 E951 R1077	I741-N947 WeakPolarHBondContact CG2-ND2 3.2Å; C745-N947 VanDerWaalsContact SG-CB 3.57Å; C745-N947 PolarHBondContact SG-ND2 3Å; R943-N947 PolarHBondContact O-N 2.92Å; R943-N947 PolarHBondContact O-OD1 2.74Å; L944-N947 PolarHBondContact O-N 3.1Å; L944-N947 VanDerWaalsContact O-N 3.14Å; N947-S949 PolarHBondContact O-N 3.36Å; N947-Y950 WeakPolarHBondContact O-CB 3.49Å; N947-Y950 PolarHBondContact O-N 3.11Å; N947-E951 WeakPolarHBondContact O-CG 2.93Å; N947-E951 PolarHBondContact O-N 2.91Å; N947-R1077 PolarHBondContact OD1-NH2 3.36Å
948	I	85.8	Confident	84.1	Confident	6 Å²	6	23.2 Å²	23.2	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-61.7	-42.1	174.4	-68.1	164.4	0	0	0	111.1	I748 I752 L944 L945 I952	I748-I948 HydrophobicContact CD1-CD1 3.89Å; I748-I948 HydrophobicContact CD1-CG1 4.37Å; I752-I948 HydrophobicContact CD1-CB 4.43Å; I752-I948 HydrophobicContact CD1-CG1 4.01Å; I752-I948 HydrophobicContact CD1-CG2 4.35Å; L944-I948 HydrophobicContact CD1-CD1 4.3Å; L944-I948 HydrophobicContact CG-CD1 3.96Å; L944-I948 WeakPolarHBondContact O-CG1 3.27Å; L944-I948 PolarHBondContact O-N 3.11Å; L945-I948 HydrophobicContact CD2-CD1 4.42Å; I948-I952 HydrophobicContact CG2-CD1 3.81Å; I948-I952 WeakPolarHBondContact O-CD1 3.49Å; I948-I952 VanDerWaalsContact O-CG1 3.25Å; I948-I952 WeakPolarHBondContact O-CG1 3.39Å; I948-I952 PolarHBondContact O-N 2.85Å
949	S	86.7	Confident	83.4	Confident	2 Å²	2	26 Å²	26	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-70.2	-32	175	58.2	0	0	0	0	113.1	L945 A946 N947 L953 P994	L945-S949 PolarHBondContact O-N 2.93Å; L945-S949 PolarHBondContact O-OG 2.86Å; A946-S949 PolarHBondContact O-N 2.88Å; A946-S949 PolarHBondContact O-OG 2.83Å; N947-S949 PolarHBondContact O-N 3.36Å; S949-L953 WeakPolarHBondContact O-CB 3.48Å; S949-L953 WeakPolarHBondContact O-CD1 3.43Å; S949-L953 WeakPolarHBondContact O-CG 3.16Å; S949-L953 PolarHBondContact O-N 3.15Å; S949-L953 VanDerWaalsContact O-N 3.11Å; S949-P994 WeakPolarHBondContact CB-O 3.42Å; S949-P994 PolarHBondContact OG-O 2.86Å
950	Y	85.5	Confident	82.7	Confident	56 Å²	56	29.4 Å²	29.4	22%	0.22	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-54.2	171.3	-174.2	-125.5	0	0	0	112.7	A946 N947 I952 L953 N954 I1069 L1073	A946-Y950 WeakPolarHBondContact O-CB 3.14Å; A946-Y950 PolarHBondContact O-N 3.18Å; N947-Y950 WeakPolarHBondContact O-CB 3.49Å; N947-Y950 PolarHBondContact O-N 3.11Å; Y950-I952 VanDerWaalsContact C-N 3.33Å; Y950-I952 PolarHBondContact O-N 3.48Å; Y950-L953 PolarHBondContact O-N 3.17Å; Y950-N954 WeakPolarHBondContact CE1-ND2 3.35Å; Y950-N954 VanDerWaalsContact CE2-ND2 3.34Å; Y950-N954 WeakPolarHBondContact CE2-ND2 3.46Å; Y950-N954 WeakPolarHBondContact CE2-OD1 3.46Å; Y950-N954 WeakPolarHBondContact O-CB 3.46Å; Y950-N954 PolarHBondContact O-N 3.07Å; Y950-N954 PolarHBondContact OH-ND2 3.15Å; Y950-I1069 HydrophobicContact CD2-CG2 3.79Å; Y950-I1069 HydrophobicContact CE2-CG2 4.22Å; Y950-L1073 HydrophobicContact CD2-CD1 3.17Å; Y950-L1073 HydrophobicContact CE2-CD1 4Å; Y950-L1073 HydrophobicContact CG-CD1 3.57Å
951	E	83.4	Confident	81.8	Confident	69 Å²	69	33.8 Å²	33.8	32%	0.322	19%	0.187	S	C	.	.	H	α-helix	trans	-57.6	-46.1	-178.9	-68.5	-64.6	131.8	0	0	111	I752 N947 N954 T955	I752-E951 HydrophobicContact CD1-CB 4.16Å; I752-E951 HydrophobicContact CD1-CG 4.42Å; N947-E951 WeakPolarHBondContact O-CG 2.93Å; N947-E951 PolarHBondContact O-N 2.91Å; E951-N954 PolarHBondContact O-N 3.33Å; E951-T955 WeakPolarHBondContact O-CG2 3.33Å; E951-T955 PolarHBondContact O-N 3.11Å; E951-T955 PolarHBondContact O-OG1 2.97Å
952	I	84.4	Confident	81.2	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-64.9	-46.9	-180	-61.5	165.4	0	0	0	110.9	I752 L755 Y756 I948 Y950 N954 T955 I956 L972 L998	I752-I952 HydrophobicContact CG2-CD1 4.05Å; I752-I952 HydrophobicContact CG2-CG1 3.43Å; I752-I952 VanDerWaalsContact CG2-CG1 3.43Å; L755-I952 HydrophobicContact CD1-CD1 3.79Å; Y756-I952 HydrophobicContact CD1-CG1 4.31Å; Y756-I952 HydrophobicContact CD1-CG2 3.93Å; Y756-I952 HydrophobicContact CE1-CG1 4.34Å; Y756-I952 HydrophobicContact CE1-CG2 4.35Å; I948-I952 HydrophobicContact CG2-CD1 3.81Å; I948-I952 WeakPolarHBondContact O-CD1 3.49Å; I948-I952 VanDerWaalsContact O-CG1 3.25Å; I948-I952 WeakPolarHBondContact O-CG1 3.39Å; I948-I952 PolarHBondContact O-N 2.85Å; Y950-I952 VanDerWaalsContact C-N 3.33Å; Y950-I952 PolarHBondContact O-N 3.48Å; I952-N954 PolarHBondContact O-N 2.75Å; I952-T955 WeakPolarHBondContact CA-OG1 3.48Å; I952-T955 PolarHBondContact O-N 3.05Å; I952-T955 PolarHBondContact O-OG1 3.49Å; I952-I956 HydrophobicContact CG2-CD1 3.99Å; I952-I956 WeakPolarHBondContact O-CG1 3.36Å; I952-I956 PolarHBondContact O-N 2.9Å; I952-L972 HydrophobicContact CG2-CD1 3.79Å; I952-L998 HydrophobicContact CB-CD1 3.95Å; I952-L998 HydrophobicContact CB-CD2 4.39Å; I952-L998 HydrophobicContact CD1-CD2 3.72Å; I952-L998 HydrophobicContact CG2-CD1 3.62Å; I952-L998 HydrophobicContact CG2-CD2 4.44Å
953	L	85.5	Confident	80.9	Confident	4 Å²	4	36.8 Å²	36.8	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-43.4	177.9	-70.3	171.1	0	0	0	111.6	S949 Y950 T955 I956 L957 I997 L998 V1001 L1031 I1069	S949-L953 WeakPolarHBondContact O-CB 3.48Å; S949-L953 WeakPolarHBondContact O-CD1 3.43Å; S949-L953 WeakPolarHBondContact O-CG 3.16Å; S949-L953 PolarHBondContact O-N 3.15Å; S949-L953 VanDerWaalsContact O-N 3.11Å; Y950-L953 PolarHBondContact O-N 3.17Å; L953-T955 VanDerWaalsContact C-N 3.34Å; L953-T955 PolarHBondContact O-N 2.88Å; L953-I956 WeakPolarHBondContact O-CB 3.19Å; L953-I956 PolarHBondContact O-N 2.89Å; L953-I956 VanDerWaalsContact O-N 3.12Å; L953-L957 WeakPolarHBondContact O-CG 3.32Å; L953-L957 PolarHBondContact O-N 3.46Å; L953-I997 HydrophobicContact CD1-CG2 4.16Å; L953-L998 HydrophobicContact CD2-CD1 3.88Å; L953-L998 HydrophobicContact CG-CD1 3.92Å; L953-V1001 HydrophobicContact CD2-CB 4.47Å; L953-V1001 HydrophobicContact CD2-CG1 4.41Å; L953-V1001 HydrophobicContact CD2-CG2 4.08Å; L953-L1031 HydrophobicContact CD2-CD2 4.44Å; L953-I1069 HydrophobicContact CB-CD1 3.99Å; L953-I1069 HydrophobicContact CD1-CD1 4.04Å; L953-I1069 HydrophobicContact CD1-CG1 4.14Å; L953-I1069 HydrophobicContact CD1-CG2 4.32Å; L953-I1069 HydrophobicContact CG-CD1 4.49Å
954	N	84	Confident	80.8	Confident	32 Å²	32	36.7 Å²	36.7	17%	0.171	20%	0.203	C	C	.	.	H	α-helix	trans	-63.6	-36.5	175.5	-79.6	15.3	0	0	0	112.7	Y950 E951 I952 I956 L957 F958	Y950-N954 WeakPolarHBondContact CE1-ND2 3.35Å; Y950-N954 VanDerWaalsContact CE2-ND2 3.34Å; Y950-N954 WeakPolarHBondContact CE2-ND2 3.46Å; Y950-N954 WeakPolarHBondContact CE2-OD1 3.46Å; Y950-N954 WeakPolarHBondContact O-CB 3.46Å; Y950-N954 PolarHBondContact O-N 3.07Å; Y950-N954 PolarHBondContact OH-ND2 3.15Å; E951-N954 PolarHBondContact O-N 3.33Å; I952-N954 PolarHBondContact O-N 2.75Å; N954-I956 VanDerWaalsContact C-N 3.28Å; N954-I956 PolarHBondContact O-N 3.1Å; N954-L957 PolarHBondContact O-N 3.26Å; N954-F958 PolarHBondContact O-N 3.39Å
955	T	81.3	Confident	80.6	Confident	26 Å²	26	38.1 Å²	38.1	16%	0.16	21%	0.211	C	C	.	.	H	α-helix	trans	-67.3	-29.3	173.9	52.9	0	0	0	0	112.8	Y756 E951 I952 L953 T959	Y756-T955 PolarHBondContact OH-OG1 3.23Å; E951-T955 WeakPolarHBondContact O-CG2 3.33Å; E951-T955 PolarHBondContact O-N 3.11Å; E951-T955 PolarHBondContact O-OG1 2.97Å; I952-T955 WeakPolarHBondContact CA-OG1 3.48Å; I952-T955 PolarHBondContact O-N 3.05Å; I952-T955 PolarHBondContact O-OG1 3.49Å; L953-T955 VanDerWaalsContact C-N 3.34Å; L953-T955 PolarHBondContact O-N 2.88Å; T955-T959 HydrophobicContact CG2-CG2 4.17Å; T955-T959 PolarHBondContact O-OG1 3.04Å
956	I	81.3	Confident	80.5	Confident	10 Å²	10	41 Å²	41	5%	0.051	22%	0.224	C	C	.	.	H	α-helix	trans	-74.4	-38.7	172.8	-65.8	161.8	0	0	0	111.1	I952 L953 N954 V962 I964 L972 L1035	I952-I956 HydrophobicContact CG2-CD1 3.99Å; I952-I956 WeakPolarHBondContact O-CG1 3.36Å; I952-I956 PolarHBondContact O-N 2.9Å; L953-I956 WeakPolarHBondContact O-CB 3.19Å; L953-I956 PolarHBondContact O-N 2.89Å; L953-I956 VanDerWaalsContact O-N 3.12Å; N954-I956 VanDerWaalsContact C-N 3.28Å; N954-I956 PolarHBondContact O-N 3.1Å; I956-V962 HydrophobicContact CG1-CG1 4.34Å; I956-I964 HydrophobicContact CG2-CD1 3.84Å; I956-I964 HydrophobicContact CG2-CG1 3.97Å; I956-L972 HydrophobicContact CD1-CD1 3.59Å; I956-L1035 HydrophobicContact CG2-CD2 3.84Å
957	L	79.8	Confident	80.5	Confident	16 Å²	16	46.6 Å²	46.6	8%	0.084	25%	0.25	C	C	.	.	H	α-helix	trans	-73.7	-45.3	-179.1	-69.8	-179.7	0	0	0	113.7	L953 N954 L1031 F1034 P1065 I1069	L953-L957 WeakPolarHBondContact O-CG 3.32Å; L953-L957 PolarHBondContact O-N 3.46Å; N954-L957 PolarHBondContact O-N 3.26Å; L957-L1031 HydrophobicContact CD2-CD1 3.85Å; L957-F1034 HydrophobicContact CD2-CD1 3.36Å; L957-F1034 HydrophobicContact CD2-CD2 4.33Å; L957-F1034 HydrophobicContact CD2-CE1 3.48Å; L957-F1034 VanDerWaalsContact CD2-CE1 3.48Å; L957-F1034 HydrophobicContact CD2-CE2 4.43Å; L957-F1034 HydrophobicContact CD2-CG 3.82Å; L957-F1034 HydrophobicContact CD2-CZ 4.03Å; L957-F1034 WeakPolarHBondContact O-CZ 3.21Å; L957-P1065 HydrophobicContact CD1-CB 4.33Å; L957-P1065 HydrophobicContact CD1-CG 4.31Å; L957-P1065 HydrophobicContact CD2-CB 4.37Å; L957-P1065 HydrophobicContact CD2-CG 4.15Å; L957-I1069 HydrophobicContact CD1-CD1 3.77Å
958	F	72.7	Confident	80.5	Confident	132 Å²	132	46.2 Å²	46.2	58%	0.579	25%	0.249	S	C	*	.	H	α-helix	trans	-117	-23.6	-158.5	-75.7	-68.8	0	0	0	117.3	N954 T1066	N954-F958 PolarHBondContact O-N 3.39Å; F958-T1066 HydrophobicContact CE2-CG2 3.81Å; F958-T1066 WeakPolarHBondContact CE2-OG1 3.3Å; F958-T1066 HydrophobicContact CZ-CG2 4.29Å; F958-T1066 WeakPolarHBondContact CZ-OG1 3.1Å
959	T	68.1	Low	80.6	Confident	68 Å²	68	45.9 Å²	45.9	42%	0.417	25%	0.247	S	C	.	.	S	Bend	trans	-80.2	-23.5	-173.8	64.6	0	0	0	0	113	T955 T961	T955-T959 HydrophobicContact CG2-CG2 4.17Å; T955-T959 PolarHBondContact O-OG1 3.04Å; T959-T961 WeakPolarHBondContact CB-OG1 3.32Å; T959-T961 PolarHBondContact O-N 2.91Å; T959-T961 PolarHBondContact OG1-N 3.37Å; T959-T961 PolarHBondContact OG1-OG1 2.98Å
960	G	67.9	Low	80.5	Confident	74 Å²	74	48 Å²	48	76%	0.763	26%	0.26	S	S	*	.	S	Bend	trans	61.6	3.6	-168.7	0	0	0	0	0	114.3
961	T	68.7	Low	80.4	Confident	93 Å²	93	46.3 Å²	46.3	57%	0.571	25%	0.254	S	S	*	.			trans	-87.7	-9.5	-177.9	61.2	0	0	0	0	113.3	T959	T959-T961 WeakPolarHBondContact CB-OG1 3.32Å; T959-T961 PolarHBondContact O-N 2.91Å; T959-T961 PolarHBondContact OG1-N 3.37Å; T959-T961 PolarHBondContact OG1-OG1 2.98Å
962	V	74.7	Confident	80.6	Confident	14 Å²	14	43 Å²	43	9%	0.085	24%	0.239	C	C	.	.	S	Bend	trans	-114.1	116.4	-178.6	-177.5	0	0	0	0	107.7	Y756 I956 T968	Y756-V962 HydrophobicContact CD2-CG1 4.21Å; Y756-V962 HydrophobicContact CD2-CG2 3.79Å; Y756-V962 HydrophobicContact CE2-CG2 3.39Å; I956-V962 HydrophobicContact CG1-CG1 4.34Å; V962-T968 HydrophobicContact CG1-CG2 3.6Å
963	K	79.5	Confident	80.8	Confident	120 Å²	120	44.4 Å²	44.4	52%	0.522	25%	0.246	S	C	.	.			trans	-71.6	133.5	176.1	-62.5	-161	179.3	-148.9	0	109.7	D965 T968 E1041	K963-D965 WeakPolarHBondContact CB-OD2 3.43Å; K963-D965 PolarHBondContact O-N 3.4Å; K963-D965 VanDerWaalsContact O-N 3.16Å; K963-T968 VanDerWaalsContact O-CB 3.29Å; K963-T968 WeakPolarHBondContact O-CB 3.35Å; K963-T968 WeakPolarHBondContact O-CG2 3.45Å; K963-T968 PolarHBondContact O-OG1 2.9Å; K963-E1041 VanDerWaalsContact CE-OE1 3.24Å; K963-E1041 WeakPolarHBondContact CE-OE1 3.38Å; K963-E1041 IonicContact NZ-OE1 3.01Å; K963-E1041 PolarHBondContact NZ-OE1 3.22Å
964	I	84.1	Confident	80.8	Confident	12 Å²	12	48.5 Å²	48.5	6%	0.062	27%	0.268	C	S	.	.			trans	-88.4	86.5	178.2	-62.2	174.5	0	0	0	107.4	I956 L1005 F1034 L1035 E1038 Y1039 E1040	I956-I964 HydrophobicContact CG2-CD1 3.84Å; I956-I964 HydrophobicContact CG2-CG1 3.97Å; I964-L1005 HydrophobicContact CG2-CD2 3.66Å; I964-F1034 HydrophobicContact CD1-CD1 4.35Å; I964-F1034 HydrophobicContact CD1-CE1 3.73Å; I964-L1035 HydrophobicContact CD1-CD2 4.31Å; I964-L1035 HydrophobicContact CG2-CD2 4.18Å; I964-L1035 WeakPolarHBondContact CG2-O 3.35Å; I964-E1038 HydrophobicContact CD1-CB 3.8Å; I964-Y1039 HydrophobicContact CG2-CD2 4.16Å; I964-Y1039 CarbonylContact O-C 3.56Å; I964-Y1039 WeakPolarHBondContact O-CA 3.49Å; I964-E1040 PolarHBondContact O-N 3.3Å
965	D	83.8	Confident	80.9	Confident	32 Å²	32	47 Å²	47	17%	0.171	26%	0.259	C	S	.	.	S	Bend	trans	-141.2	177.4	-175.2	62.8	29.1	0	0	0	113	K963 E967 T968 G969 E1040	K963-D965 WeakPolarHBondContact CB-OD2 3.43Å; K963-D965 PolarHBondContact O-N 3.4Å; K963-D965 VanDerWaalsContact O-N 3.16Å; D965-E967 VanDerWaalsContact C-N 3.35Å; D965-E967 PolarHBondContact OD1-N 3.28Å; D965-T968 WeakPolarHBondContact OD1-CB 3.44Å; D965-T968 PolarHBondContact OD1-N 3Å; D965-T968 PolarHBondContact OD1-OG1 3.39Å; D965-G969 PolarHBondContact O-N 3.32Å; D965-E1040 HydrophobicContact CB-CG 4.29Å
966	H	84.8	Confident	81.1	Confident	64 Å²	64	45.9 Å²	45.9	30%	0.296	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-39.3	179.2	-177.6	61.4	0	0	0	112.9	G969 T970 L1005 A1006 T1007 Y1039	H966-G969 PolarHBondContact O-N 2.85Å; H966-T970 WeakPolarHBondContact O-CG2 3.44Å; H966-T970 PolarHBondContact O-N 3.43Å; H966-L1005 WeakPolarHBondContact CA-O 3.38Å; H966-L1005 PolarHBondContact ND1-O 2.73Å; H966-A1006 PolarHBondContact CE1-O 3.01Å; H966-A1006 VanDerWaalsContact CE1-O 3.25Å; H966-T1007 PolarHBondContact CE1-O 3.23Å; H966-T1007 PolarHBondContact ND1-O 2.65Å; H966-Y1039 PolarHBondContact N-OH 3.11Å
967	E	83.8	Confident	81.4	Confident	119 Å²	119	49.5 Å²	49.5	56%	0.556	27%	0.272	S	S	*	.	H	α-helix	trans	-65.4	-53	-176.5	-175.7	162.7	167.7	0	0	109.9	D965 G969 T970 H971	D965-E967 VanDerWaalsContact C-N 3.35Å; D965-E967 PolarHBondContact OD1-N 3.28Å; E967-G969 VanDerWaalsContact C-N 3.3Å; E967-G969 PolarHBondContact O-N 3.35Å; E967-T970 PolarHBondContact O-N 3.22Å; E967-T970 PolarHBondContact O-OG1 3.44Å; E967-H971 WeakPolarHBondContact CG-NE2 3.48Å; E967-H971 PolarHBondContact O-CD2 2.85Å; E967-H971 PolarHBondContact O-N 2.6Å; E967-H971 IonicContact OE1-NE2 3.77Å
968	T	85.1	Confident	81.8	Confident	19 Å²	19	51.8 Å²	51.8	12%	0.117	28%	0.28	C	S	.	.	H	α-helix	trans	-55.9	-43	172.9	-56.3	0	0	0	0	111.6	V962 K963 D965 T970 H971 L972	V962-T968 HydrophobicContact CG1-CG2 3.6Å; K963-T968 VanDerWaalsContact O-CB 3.29Å; K963-T968 WeakPolarHBondContact O-CB 3.35Å; K963-T968 WeakPolarHBondContact O-CG2 3.45Å; K963-T968 PolarHBondContact O-OG1 2.9Å; D965-T968 WeakPolarHBondContact OD1-CB 3.44Å; D965-T968 PolarHBondContact OD1-N 3Å; D965-T968 PolarHBondContact OD1-OG1 3.39Å; T968-T970 PolarHBondContact O-N 3.19Å; T968-H971 PolarHBondContact O-N 3.44Å; T968-L972 WeakPolarHBondContact O-CB 3.5Å; T968-L972 PolarHBondContact O-N 3.41Å
969	G	86.7	Confident	82.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-54.5	-48.1	172.3	0	0	0	0	0	113	D965 H966 E967 L973 L1005	D965-G969 PolarHBondContact O-N 3.32Å; H966-G969 PolarHBondContact O-N 2.85Å; E967-G969 VanDerWaalsContact C-N 3.3Å; E967-G969 PolarHBondContact O-N 3.35Å; G969-L973 VanDerWaalsContact O-CB 3.27Å; G969-L973 WeakPolarHBondContact O-CB 3.27Å; G969-L973 PolarHBondContact O-N 3.48Å; G969-L1005 VanDerWaalsContact CA-CB 3.43Å
970	T	85.4	Confident	83.2	Confident	45 Å²	45	43.2 Å²	43.2	28%	0.276	24%	0.237	S	C	.	.	H	α-helix	trans	-69.3	-37.1	176.9	66.3	0	0	0	0	113.2	H966 E967 T968 N974 A1006	H966-T970 WeakPolarHBondContact O-CG2 3.44Å; H966-T970 PolarHBondContact O-N 3.43Å; E967-T970 PolarHBondContact O-N 3.22Å; E967-T970 PolarHBondContact O-OG1 3.44Å; T968-T970 PolarHBondContact O-N 3.19Å; T970-N974 VanDerWaalsContact O-CB 3.23Å; T970-N974 WeakPolarHBondContact O-CB 3.38Å; T970-N974 PolarHBondContact O-N 3.36Å; T970-N974 PolarHBondContact O-ND2 3.41Å; T970-A1006 HydrophobicContact CG2-CB 4.03Å
971	H	84	Confident	83.9	Confident	21 Å²	21	42.5 Å²	42.5	10%	0.097	22%	0.221	C	C	.	.	H	α-helix	trans	-61.9	-47.9	175.1	-75	-66.9	0	0	0	111.8	L755 W780 R784 E967 T968 N974 G975	L755-H971 CarbonylContact O-C 3.58Å; L755-H971 VanDerWaalsContact O-O 3.11Å; W780-H971 AromaticContact CH2-CE1 3.59Å; R784-H971 PolarHBondContact NH2-O 2.83Å; E967-H971 WeakPolarHBondContact CG-NE2 3.48Å; E967-H971 PolarHBondContact O-CD2 2.85Å; E967-H971 PolarHBondContact O-N 2.6Å; E967-H971 IonicContact OE1-NE2 3.77Å; T968-H971 PolarHBondContact O-N 3.44Å; H971-N974 CarbonylContact O-C 3.58Å; H971-N974 WeakPolarHBondContact O-CB 3.39Å; H971-N974 PolarHBondContact O-N 3.31Å; H971-G975 PolarHBondContact O-N 3.23Å
972	L	87.9	Confident	84.8	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-43.2	179.3	-173.8	151.5	0	0	0	111.1	L755 I952 I956 T968 N974 G975 I976 L998 A1002	L755-L972 WeakPolarHBondContact O-CA 3.47Å; I952-L972 HydrophobicContact CG2-CD1 3.79Å; I956-L972 HydrophobicContact CD1-CD1 3.59Å; T968-L972 WeakPolarHBondContact O-CB 3.5Å; T968-L972 PolarHBondContact O-N 3.41Å; L972-N974 PolarHBondContact O-N 3.13Å; L972-G975 PolarHBondContact O-N 2.81Å; L972-I976 HydrophobicContact CD2-CD1 3.45Å; L972-I976 VanDerWaalsContact CD2-CD1 3.45Å; L972-I976 HydrophobicContact CG-CD1 4.25Å; L972-I976 VanDerWaalsContact O-CG1 3.31Å; L972-I976 WeakPolarHBondContact O-CG1 3.48Å; L972-I976 PolarHBondContact O-N 3.21Å; L972-L998 HydrophobicContact CD2-CD1 4.5Å; L972-L998 HydrophobicContact CD2-CG 4.49Å; L972-A1002 HydrophobicContact CD2-CB 3.3Å
973	L	88	Confident	85.4	Confident	30 Å²	30	38.1 Å²	38.1	16%	0.157	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-41.4	171.4	-177.7	56.6	0	0	0	112.1	G969 G975 I976 N977 A1002 N1003 A1006	G969-L973 VanDerWaalsContact O-CB 3.27Å; G969-L973 WeakPolarHBondContact O-CB 3.27Å; G969-L973 PolarHBondContact O-N 3.48Å; L973-G975 VanDerWaalsContact C-N 3.33Å; L973-G975 PolarHBondContact O-N 2.78Å; L973-I976 PolarHBondContact O-N 3.47Å; L973-N977 VanDerWaalsContact O-CB 3.3Å; L973-N977 WeakPolarHBondContact O-CB 3.25Å; L973-N977 VanDerWaalsContact O-CG 3.29Å; L973-N977 PolarHBondContact O-N 3.45Å; L973-N977 PolarHBondContact O-ND2 3.27Å; L973-N977 VanDerWaalsContact O-ND2 3.15Å; L973-A1002 HydrophobicContact CB-CB 3.94Å; L973-A1002 HydrophobicContact CD1-CB 4.02Å; L973-N1003 WeakPolarHBondContact CD1-OD1 3.43Å; L973-A1006 HydrophobicContact CB-CB 4.21Å; L973-A1006 HydrophobicContact CD2-CB 3.57Å
974	N	85.9	Confident	85.6	Confident	90 Å²	90	39.5 Å²	39.5	48%	0.481	19%	0.194	S	C	.	.	H	α-helix	trans	-68.5	-29	174.8	-75.7	-37.4	0	0	0	112.8	R784 T970 H971 L972 W978	R784-N974 PolarHBondContact NH1-O 3.26Å; T970-N974 VanDerWaalsContact O-CB 3.23Å; T970-N974 WeakPolarHBondContact O-CB 3.38Å; T970-N974 PolarHBondContact O-N 3.36Å; T970-N974 PolarHBondContact O-ND2 3.41Å; H971-N974 CarbonylContact O-C 3.58Å; H971-N974 WeakPolarHBondContact O-CB 3.39Å; H971-N974 PolarHBondContact O-N 3.31Å; L972-N974 PolarHBondContact O-N 3.13Å; N974-W978 WeakPolarHBondContact O-CB 3.43Å; N974-W978 PolarHBondContact O-N 2.87Å
975	G	84.6	Confident	85.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68.9	-45	171.4	0	0	0	0	0	112.1	H971 L972 L973 W978 L979	H971-G975 PolarHBondContact O-N 3.23Å; L972-G975 PolarHBondContact O-N 2.81Å; L973-G975 VanDerWaalsContact C-N 3.33Å; L973-G975 PolarHBondContact O-N 2.78Å; G975-W978 WeakPolarHBondContact O-CB 3.29Å; G975-W978 PolarHBondContact O-N 2.92Å; G975-L979 PolarHBondContact O-N 2.84Å
976	I	86.9	Confident	85.1	Confident	4 Å²	4	48 Å²	48	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-74.1	-36.7	-179.4	-60.8	160.3	0	0	0	111.9	L972 L973 W978 L979 D980 L998 I999 A1002	L972-I976 HydrophobicContact CD2-CD1 3.45Å; L972-I976 VanDerWaalsContact CD2-CD1 3.45Å; L972-I976 HydrophobicContact CG-CD1 4.25Å; L972-I976 VanDerWaalsContact O-CG1 3.31Å; L972-I976 WeakPolarHBondContact O-CG1 3.48Å; L972-I976 PolarHBondContact O-N 3.21Å; L973-I976 PolarHBondContact O-N 3.47Å; I976-W978 VanDerWaalsContact C-N 3.28Å; I976-W978 PolarHBondContact O-N 3.13Å; I976-L979 PolarHBondContact O-N 2.8Å; I976-L979 VanDerWaalsContact O-N 3.16Å; I976-D980 WeakPolarHBondContact O-CB 3.42Å; I976-D980 PolarHBondContact O-N 3.16Å; I976-L998 HydrophobicContact CD1-CB 4.41Å; I976-L998 HydrophobicContact CD1-CD2 3.57Å; I976-L998 HydrophobicContact CD1-CG 3.57Å; I976-L998 HydrophobicContact CG1-CD2 3.94Å; I976-L998 HydrophobicContact CG1-CG 4.48Å; I976-I999 HydrophobicContact CG2-CD1 4.24Å; I976-I999 HydrophobicContact CG2-CG1 3.53Å; I976-A1002 HydrophobicContact CD1-CB 3.86Å
977	N	86.5	Confident	84.8	Confident	85 Å²	85	54.8 Å²	54.8	46%	0.455	25%	0.254	S	S	.	.	H	α-helix	trans	-63.3	-36.1	172.3	-77.5	-35.5	0	0	0	111.8	L973 S981	L973-N977 VanDerWaalsContact O-CB 3.3Å; L973-N977 WeakPolarHBondContact O-CB 3.25Å; L973-N977 VanDerWaalsContact O-CG 3.29Å; L973-N977 PolarHBondContact O-N 3.45Å; L973-N977 PolarHBondContact O-ND2 3.27Å; L973-N977 VanDerWaalsContact O-ND2 3.15Å; N977-S981 VanDerWaalsContact O-CB 3.3Å; N977-S981 WeakPolarHBondContact O-CB 3.3Å; N977-S981 PolarHBondContact O-N 2.97Å
978	W	87.9	Confident	84.8	Confident	65 Å²	65	49.7 Å²	49.7	25%	0.246	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-45.3	169.8	169.9	85.7	0	0	0	111.6	L755 L787 L791 N974 G975 I976 S981 W982	L755-W978 HydrophobicContact CD2-CE3 4.03Å; L755-W978 HydrophobicContact CD2-CZ3 4.15Å; L787-W978 HydrophobicContact CB-CH2 4.36Å; L787-W978 HydrophobicContact CD2-CH2 4.01Å; L787-W978 HydrophobicContact CD2-CZ3 3.67Å; L787-W978 HydrophobicContact CG-CH2 3.93Å; L787-W978 HydrophobicContact CG-CZ3 4.08Å; L791-W978 HydrophobicContact CD1-CH2 4.02Å; L791-W978 HydrophobicContact CD1-CZ3 4.34Å; N974-W978 WeakPolarHBondContact O-CB 3.43Å; N974-W978 PolarHBondContact O-N 2.87Å; G975-W978 WeakPolarHBondContact O-CB 3.29Å; G975-W978 PolarHBondContact O-N 2.92Å; I976-W978 VanDerWaalsContact C-N 3.28Å; I976-W978 PolarHBondContact O-N 3.13Å; W978-S981 WeakPolarHBondContact O-CB 3.45Å; W978-S981 PolarHBondContact O-N 3.36Å; W978-W982 PolarHBondContact O-N 3.45Å
979	L	85.9	Confident	84.6	Confident	6 Å²	6	51.6 Å²	51.6	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-43.3	178.9	-177	61.2	0	0	0	112.5	L791 L945 G975 I976 S981 W982 L983 L995	L791-L979 HydrophobicContact CD1-CD1 4.04Å; L945-L979 HydrophobicContact CD2-CD2 4.22Å; G975-L979 PolarHBondContact O-N 2.84Å; I976-L979 PolarHBondContact O-N 2.8Å; I976-L979 VanDerWaalsContact O-N 3.16Å; L979-S981 VanDerWaalsContact C-N 3.32Å; L979-S981 PolarHBondContact O-N 2.86Å; L979-W982 PolarHBondContact O-N 2.64Å; L979-L983 HydrophobicContact CG-CD1 4.34Å; L979-L983 WeakPolarHBondContact O-CB 3.42Å; L979-L983 VanDerWaalsContact O-CG 3.29Å; L979-L983 WeakPolarHBondContact O-CG 3.39Å; L979-L983 PolarHBondContact O-N 2.92Å; L979-L995 HydrophobicContact CD2-CD1 3.91Å; L979-L995 HydrophobicContact CD2-CD2 4.32Å; L979-L995 HydrophobicContact CG-CD1 4.38Å
980	D	85.1	Confident	84.2	Confident	14 Å²	14	59.3 Å²	59.3	8%	0.075	27%	0.274	C	S	.	.	H	α-helix	trans	-64	-37	173.5	-178.6	58.6	0	0	0	111.4	I976 L983 R984 K992	I976-D980 WeakPolarHBondContact O-CB 3.42Å; I976-D980 PolarHBondContact O-N 3.16Å; D980-L983 PolarHBondContact O-N 2.99Å; D980-R984 WeakPolarHBondContact O-CB 3.31Å; D980-R984 WeakPolarHBondContact O-CG 3.39Å; D980-R984 PolarHBondContact O-N 3.28Å; D980-R984 IonicContact OD1-NE 3.87Å; D980-R984 IonicContact OD2-CZ 2.68Å; D980-R984 IonicContact OD2-NE 2.63Å; D980-R984 PolarHBondContact OD2-NE 2.87Å; D980-R984 IonicContact OD2-NH2 2.75Å; D980-R984 PolarHBondContact OD2-NH2 2.87Å; D980-K992 WeakPolarHBondContact OD1-CD 3.46Å; D980-K992 WeakPolarHBondContact OD1-CE 3.31Å; D980-K992 IonicContact OD1-NZ 3.82Å; D980-K992 PolarHBondContact OD1-NZ 2.99Å; D980-K992 IonicContact OD2-NZ 3.16Å
981	S	83.3	Confident	84	Confident	59 Å²	59	58.4 Å²	58.4	41%	0.413	27%	0.266	S	S	.	.	H	α-helix	trans	-64.1	-42.8	171.8	-171.1	0	0	0	0	112	N977 W978 L979 R984 I985	N977-S981 VanDerWaalsContact O-CB 3.3Å; N977-S981 WeakPolarHBondContact O-CB 3.3Å; N977-S981 PolarHBondContact O-N 2.97Å; W978-S981 WeakPolarHBondContact O-CB 3.45Å; W978-S981 PolarHBondContact O-N 3.36Å; L979-S981 VanDerWaalsContact C-N 3.32Å; L979-S981 PolarHBondContact O-N 2.86Å; S981-R984 PolarHBondContact O-N 3.28Å; S981-I985 WeakPolarHBondContact O-CD1 3.48Å; S981-I985 VanDerWaalsContact O-CG1 3.25Å; S981-I985 WeakPolarHBondContact O-CG1 3.23Å; S981-I985 PolarHBondContact O-N 3.45Å
982	W	86.5	Confident	84.1	Confident	13 Å²	13	60.1 Å²	60.1	5%	0.049	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-45.1	175.4	-177	91.5	0	0	0	111.6	L791 D792 A795 W941 W978 L979 R984 I985 R986 L988	L791-W982 HydrophobicContact CB-CD2 4.49Å; L791-W982 HydrophobicContact CB-CH2 3.86Å; L791-W982 HydrophobicContact CB-CZ2 3.59Å; L791-W982 HydrophobicContact CB-CZ3 4.4Å; L791-W982 HydrophobicContact CD1-CE3 4.48Å; L791-W982 WeakPolarHBondContact O-CZ2 3.41Å; D792-W982 PolarHBondContact OD1-NE1 3.5Å; A795-W982 HydrophobicContact CB-CH2 4.19Å; A795-W982 HydrophobicContact CB-CZ2 4.24Å; W941-W982 AromaticContact CH2-CH2 3.72Å; W941-W982 HydrophobicContact CH2-CH2 3.72Å; W941-W982 HydrophobicContact CH2-CZ3 4.14Å; W941-W982 HydrophobicContact CZ2-CH2 4.37Å; W941-W982 HydrophobicContact CZ3-CH2 4.23Å; W941-W982 HydrophobicContact CZ3-CZ3 4.2Å; W978-W982 PolarHBondContact O-N 3.45Å; L979-W982 PolarHBondContact O-N 2.64Å; W982-R984 VanDerWaalsContact C-N 3.34Å; W982-R984 PolarHBondContact O-N 2.98Å; W982-I985 WeakPolarHBondContact O-CB 3.34Å; W982-I985 PolarHBondContact O-N 3.15Å; W982-I985 VanDerWaalsContact O-N 3.16Å; W982-R986 HydrophobicContact CD2-CG 4.18Å; W982-R986 HydrophobicContact CE3-CG 4.41Å; W982-R986 HydrophobicContact CH2-CG 3.92Å; W982-R986 HydrophobicContact CZ2-CG 3.66Å; W982-R986 HydrophobicContact CZ3-CG 4.3Å; W982-R986 PolarHBondContact O-N 3.11Å; W982-L988 HydrophobicContact CH2-CD1 4.28Å; W982-L988 HydrophobicContact CZ3-CD1 4.11Å
983	L	86.9	Confident	83.8	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-59.1	-42.3	174.4	-71.8	170.2	0	0	0	111.6	L945 L979 D980 R986 R987 L988 D989 K992 L995	L945-L983 HydrophobicContact CD1-CD1 4.13Å; L945-L983 HydrophobicContact CD1-CD2 4.32Å; L945-L983 HydrophobicContact CD2-CD1 4.25Å; L979-L983 HydrophobicContact CG-CD1 4.34Å; L979-L983 WeakPolarHBondContact O-CB 3.42Å; L979-L983 VanDerWaalsContact O-CG 3.29Å; L979-L983 WeakPolarHBondContact O-CG 3.39Å; L979-L983 PolarHBondContact O-N 2.92Å; D980-L983 PolarHBondContact O-N 2.99Å; L983-R986 CarbonylContact O-C 3.57Å; L983-R986 PolarHBondContact O-N 3.45Å; L983-R987 CarbonylContact O-C 3.57Å; L983-R987 WeakPolarHBondContact O-CA 3.37Å; L983-R987 PolarHBondContact O-N 3.24Å; L983-L988 HydrophobicContact CB-CB 4.44Å; L983-L988 HydrophobicContact CD2-CB 3.62Å; L983-L988 HydrophobicContact CD2-CD1 4.33Å; L983-L988 PolarHBondContact O-N 3.32Å; L983-D989 PolarHBondContact O-N 3.12Å; L983-K992 HydrophobicContact CD1-CB 4.15Å; L983-L995 HydrophobicContact CD1-CD1 4.13Å
984	R	84.3	Confident	83.6	Confident	149 Å²	149	66.6 Å²	66.6	56%	0.562	30%	0.296	S	S	*	.	H	α-helix	trans	-63.5	-42	173.7	-71	170.3	-163.5	-147.4	13.4	112.5	D980 S981 W982 R986 R987 D989	D980-R984 WeakPolarHBondContact O-CB 3.31Å; D980-R984 WeakPolarHBondContact O-CG 3.39Å; D980-R984 PolarHBondContact O-N 3.28Å; D980-R984 IonicContact OD1-NE 3.87Å; D980-R984 IonicContact OD2-CZ 2.68Å; D980-R984 IonicContact OD2-NE 2.63Å; D980-R984 PolarHBondContact OD2-NE 2.87Å; D980-R984 IonicContact OD2-NH2 2.75Å; D980-R984 PolarHBondContact OD2-NH2 2.87Å; S981-R984 PolarHBondContact O-N 3.28Å; W982-R984 VanDerWaalsContact C-N 3.34Å; W982-R984 PolarHBondContact O-N 2.98Å; R984-R986 VanDerWaalsContact C-N 3.27Å; R984-R986 PolarHBondContact O-N 2.91Å; R984-R987 PolarHBondContact O-N 2.74Å; R984-R987 VanDerWaalsContact O-N 3.11Å; R984-D989 HydrophobicContact CG-CB 3.83Å
985	I	79.4	Confident	83.6	Confident	126 Å²	126	62.3 Å²	62.3	65%	0.646	27%	0.273	S	S	*	.	H	α-helix	trans	-60.3	-39.2	175.9	-71.6	162.4	0	0	0	110.6	S981 W982	S981-I985 WeakPolarHBondContact O-CD1 3.48Å; S981-I985 VanDerWaalsContact O-CG1 3.25Å; S981-I985 WeakPolarHBondContact O-CG1 3.23Å; S981-I985 PolarHBondContact O-N 3.45Å; W982-I985 WeakPolarHBondContact O-CB 3.34Å; W982-I985 PolarHBondContact O-N 3.15Å; W982-I985 VanDerWaalsContact O-N 3.16Å
986	R	77.3	Confident	83.7	Confident	96 Å²	96	64.5 Å²	64.5	36%	0.362	29%	0.285	S	S	.	.	H	α-helix	trans	-84.8	-3	175.6	-65	-66.2	-179.2	174.2	-2.7	114.8	D792 W982 L983 R984 L988	D792-R986 IonicContact OD1-CZ 3.54Å; D792-R986 IonicContact OD1-NE 2.74Å; D792-R986 PolarHBondContact OD1-NE 3.15Å; D792-R986 VanDerWaalsContact OD1-NE 3.16Å; D792-R986 IonicContact OD1-NH2 3.52Å; D792-R986 PolarHBondContact OD1-NH2 2.97Å; W982-R986 HydrophobicContact CD2-CG 4.18Å; W982-R986 HydrophobicContact CE3-CG 4.41Å; W982-R986 HydrophobicContact CH2-CG 3.92Å; W982-R986 HydrophobicContact CZ2-CG 3.66Å; W982-R986 HydrophobicContact CZ3-CG 4.3Å; W982-R986 PolarHBondContact O-N 3.11Å; L983-R986 CarbonylContact O-C 3.57Å; L983-R986 PolarHBondContact O-N 3.45Å; R984-R986 VanDerWaalsContact C-N 3.27Å; R984-R986 PolarHBondContact O-N 2.91Å; R986-L988 HydrophobicContact CB-CD1 3.87Å; R986-L988 HydrophobicContact CB-CG 4.01Å; R986-L988 PolarHBondContact O-N 3.38Å
987	R	80.1	Confident	83.6	Confident	208 Å²	208	64.9 Å²	64.9	79%	0.785	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	23.5	-174.7	-53.9	177.2	174.8	178.9	-2.2	114.9	L983 R984	L983-R987 CarbonylContact O-C 3.57Å; L983-R987 WeakPolarHBondContact O-CA 3.37Å; L983-R987 PolarHBondContact O-N 3.24Å; R984-R987 PolarHBondContact O-N 2.74Å; R984-R987 VanDerWaalsContact O-N 3.11Å
988	L	82.9	Confident	83.6	Confident	11 Å²	11	60.9 Å²	60.9	6%	0.058	27%	0.266	C	S	.	.			trans	-92	4.1	175	-63.6	172.7	0	0	0	112.3	W941 W982 L983 R986 K990 H991	W941-L988 HydrophobicContact CD2-CD1 3.9Å; W941-L988 VanDerWaalsContact CE2-CD1 3.5Å; W941-L988 HydrophobicContact CE3-CD1 4.42Å; W941-L988 HydrophobicContact CG-CD1 4.34Å; W941-L988 HydrophobicContact CG-CD2 4.28Å; W941-L988 HydrophobicContact CH2-CD1 4.29Å; W941-L988 HydrophobicContact CZ2-CD1 3.73Å; W982-L988 HydrophobicContact CH2-CD1 4.28Å; W982-L988 HydrophobicContact CZ3-CD1 4.11Å; L983-L988 HydrophobicContact CB-CB 4.44Å; L983-L988 HydrophobicContact CD2-CB 3.62Å; L983-L988 HydrophobicContact CD2-CD1 4.33Å; L983-L988 PolarHBondContact O-N 3.32Å; R986-L988 HydrophobicContact CB-CD1 3.87Å; R986-L988 HydrophobicContact CB-CG 4.01Å; R986-L988 PolarHBondContact O-N 3.38Å; L988-K990 PolarHBondContact O-N 3.19Å; L988-K990 VanDerWaalsContact O-N 3.11Å; L988-H991 WeakPolarHBondContact O-CB 3.48Å; L988-H991 PolarHBondContact O-N 2.67Å
989	D	81	Confident	83.7	Confident	60 Å²	60	59.8 Å²	59.8	32%	0.321	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-56.9	-26.2	179.2	61.7	-60.5	0	0	0	113.4	L983 R984 H991 K992	L983-D989 PolarHBondContact O-N 3.12Å; R984-D989 HydrophobicContact CG-CB 3.83Å; D989-H991 PolarHBondContact O-N 2.71Å; D989-K992 WeakPolarHBondContact O-CD 3.41Å; D989-K992 VanDerWaalsContact O-CG 3.26Å; D989-K992 WeakPolarHBondContact O-CG 3.42Å; D989-K992 PolarHBondContact O-N 2.81Å
990	K	78.2	Confident	83.8	Confident	162 Å²	162	61.2 Å²	61.2	70%	0.704	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-62.2	-6	170.6	-59.6	176.4	-175.4	171.3	0	114.6	L988	L988-K990 PolarHBondContact O-N 3.19Å; L988-K990 VanDerWaalsContact O-N 3.11Å
991	H	81.8	Confident	84	Confident	25 Å²	25	60.6 Å²	60.6	12%	0.116	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-117.2	2.8	-174.8	-62	-13.6	0	0	0	112.8	A938 W941 R942 L945 L988 D989 R993 P994	A938-H991 WeakPolarHBondContact CB-NE2 3.32Å; W941-H991 HydrophobicContact CB-CB 4.48Å; R942-H991 HydrophobicContact CG-CB 3.64Å; R942-H991 PolarHBondContact NE-ND1 2.91Å; L945-H991 HydrophobicContact CD1-CB 4.49Å; L945-H991 WeakPolarHBondContact CD1-O 3.41Å; L988-H991 WeakPolarHBondContact O-CB 3.48Å; L988-H991 PolarHBondContact O-N 2.67Å; D989-H991 PolarHBondContact O-N 2.71Å; H991-R993 VanDerWaalsContact C-N 3.27Å; H991-R993 PolarHBondContact O-N 2.84Å; H991-P994 WeakPolarHBondContact O-CD 3.47Å
992	K	85.5	Confident	84.2	Confident	57 Å²	57	57.8 Å²	57.8	25%	0.248	25%	0.247	C	C	.	.			trans	-74.6	-2.3	-175.7	77.9	-169.9	-175.7	-174.7	0	116.5	D980 L983 D989 P994 L995	D980-K992 WeakPolarHBondContact OD1-CD 3.46Å; D980-K992 WeakPolarHBondContact OD1-CE 3.31Å; D980-K992 IonicContact OD1-NZ 3.82Å; D980-K992 PolarHBondContact OD1-NZ 2.99Å; D980-K992 IonicContact OD2-NZ 3.16Å; L983-K992 HydrophobicContact CD1-CB 4.15Å; D989-K992 WeakPolarHBondContact O-CD 3.41Å; D989-K992 VanDerWaalsContact O-CG 3.26Å; D989-K992 WeakPolarHBondContact O-CG 3.42Å; D989-K992 PolarHBondContact O-N 2.81Å; K992-P994 VanDerWaalsContact C-N 3.26Å; K992-P994 VanDerWaalsContact O-N 3.13Å; K992-L995 HydrophobicContact CB-CD1 4.35Å; K992-L995 VanDerWaalsContact O-CB 3.31Å; K992-L995 WeakPolarHBondContact O-CB 3.5Å; K992-L995 PolarHBondContact O-N 3.07Å
993	R	81.5	Confident	84.4	Confident	165 Å²	165	59.8 Å²	59.8	62%	0.623	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-49.4	-37.1	-178.9	-175.2	174.2	-180	142.3	1.3	114.1	H991 L995 N996	H991-R993 VanDerWaalsContact C-N 3.27Å; H991-R993 PolarHBondContact O-N 2.84Å; R993-L995 PolarHBondContact O-N 3.34Å; R993-N996 WeakPolarHBondContact O-CB 3.36Å; R993-N996 PolarHBondContact O-N 2.86Å; R993-N996 VanDerWaalsContact O-N 3.13Å
994	P	83.8	Confident	84.6	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.019	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-66	-16	175.1	-24.1	37	0	0	0	115.6	R942 L945 A946 S949 H991 K992 N996 W1076	R942-P994 HydrophobicContact CB-CG 4.32Å; L945-P994 HydrophobicContact CB-CB 4.22Å; L945-P994 HydrophobicContact CB-CG 4.37Å; A946-P994 HydrophobicContact CB-CB 3.86Å; A946-P994 HydrophobicContact CB-CG 4.31Å; S949-P994 WeakPolarHBondContact CB-O 3.42Å; S949-P994 PolarHBondContact OG-O 2.86Å; H991-P994 WeakPolarHBondContact O-CD 3.47Å; K992-P994 VanDerWaalsContact C-N 3.26Å; K992-P994 VanDerWaalsContact O-N 3.13Å; P994-N996 VanDerWaalsContact C-N 3.34Å; P994-W1076 HydrophobicContact CB-CD2 4.34Å; P994-W1076 HydrophobicContact CB-CE3 3.57Å; P994-W1076 HydrophobicContact CB-CH2 4.45Å; P994-W1076 HydrophobicContact CB-CZ3 3.66Å; P994-W1076 HydrophobicContact CG-CE3 4.2Å; P994-W1076 VanDerWaalsContact O-CH2 3.27Å; P994-W1076 WeakPolarHBondContact O-CH2 3.38Å; P994-W1076 WeakPolarHBondContact O-CZ3 3.2Å
995	L	85.7	Confident	84.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-81.6	-11.6	173.9	-58.1	-178.8	0	0	0	112.4	L945 L979 L983 K992 R993 I997 L998 I999	L945-L995 HydrophobicContact CB-CD2 4.48Å; L945-L995 HydrophobicContact CD2-CD1 4.17Å; L945-L995 HydrophobicContact CD2-CD2 4.1Å; L945-L995 HydrophobicContact CD2-CG 4.25Å; L979-L995 HydrophobicContact CD2-CD1 3.91Å; L979-L995 HydrophobicContact CD2-CD2 4.32Å; L979-L995 HydrophobicContact CG-CD1 4.38Å; L983-L995 HydrophobicContact CD1-CD1 4.13Å; K992-L995 HydrophobicContact CB-CD1 4.35Å; K992-L995 VanDerWaalsContact O-CB 3.31Å; K992-L995 WeakPolarHBondContact O-CB 3.5Å; K992-L995 PolarHBondContact O-N 3.07Å; R993-L995 PolarHBondContact O-N 3.34Å; L995-I997 VanDerWaalsContact C-N 3.34Å; L995-I997 PolarHBondContact O-N 3.33Å; L995-L998 CarbonylContact O-C 3.58Å; L995-L998 PolarHBondContact O-N 2.77Å; L995-L998 VanDerWaalsContact O-N 3.11Å; L995-I999 HydrophobicContact CB-CD1 3.87Å; L995-I999 HydrophobicContact CB-CG1 4.25Å; L995-I999 WeakPolarHBondContact O-CB 3.37Å; L995-I999 VanDerWaalsContact O-CG1 3.28Å; L995-I999 WeakPolarHBondContact O-CG1 3.38Å; L995-I999 PolarHBondContact O-N 3.1Å
996	N	86	Confident	85.2	Confident	45 Å²	45	47.6 Å²	47.6	24%	0.241	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-38.3	-170.2	-76.2	12.3	0	0	0	114.1	R993 P994 Q1000 Y1026	R993-N996 WeakPolarHBondContact O-CB 3.36Å; R993-N996 PolarHBondContact O-N 2.86Å; R993-N996 VanDerWaalsContact O-N 3.13Å; P994-N996 VanDerWaalsContact C-N 3.34Å; N996-Q1000 WeakPolarHBondContact O-CG 3.27Å; N996-Q1000 PolarHBondContact O-N 2.89Å; N996-Y1026 HydrophobicContact CB-CD1 4.45Å
997	I	86	Confident	85.6	Confident	13 Å²	13	43.9 Å²	43.9	7%	0.067	20%	0.197	C	C	.	.	H	α-helix	trans	-65.9	-49.1	176	-59.6	178.6	0	0	0	109.4	L953 L995 I999 Q1000 V1001 L1031 A1072 W1076	L953-I997 HydrophobicContact CD1-CG2 4.16Å; L995-I997 VanDerWaalsContact C-N 3.34Å; L995-I997 PolarHBondContact O-N 3.33Å; I997-I999 VanDerWaalsContact C-N 3.35Å; I997-I999 PolarHBondContact O-N 2.78Å; I997-Q1000 PolarHBondContact O-N 2.89Å; I997-V1001 PolarHBondContact O-N 2.78Å; I997-L1031 HydrophobicContact CG2-CD2 4.27Å; I997-A1072 HydrophobicContact CD1-CB 3.81Å; I997-W1076 HydrophobicContact CD1-CH2 3.63Å; I997-W1076 HydrophobicContact CD1-CZ2 3.8Å; I997-W1076 HydrophobicContact CG1-CH2 3.89Å; I997-W1076 HydrophobicContact CG1-CZ2 4.08Å
998	L	87.3	Confident	85.9	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-61.7	-39.4	179.3	-170.7	76	0	0	0	112.3	I952 L953 L972 I976 L995 Q1000 V1001 A1002	I952-L998 HydrophobicContact CB-CD1 3.95Å; I952-L998 HydrophobicContact CB-CD2 4.39Å; I952-L998 HydrophobicContact CD1-CD2 3.72Å; I952-L998 HydrophobicContact CG2-CD1 3.62Å; I952-L998 HydrophobicContact CG2-CD2 4.44Å; L953-L998 HydrophobicContact CD2-CD1 3.88Å; L953-L998 HydrophobicContact CG-CD1 3.92Å; L972-L998 HydrophobicContact CD2-CD1 4.5Å; L972-L998 HydrophobicContact CD2-CG 4.49Å; I976-L998 HydrophobicContact CD1-CB 4.41Å; I976-L998 HydrophobicContact CD1-CD2 3.57Å; I976-L998 HydrophobicContact CD1-CG 3.57Å; I976-L998 HydrophobicContact CG1-CD2 3.94Å; I976-L998 HydrophobicContact CG1-CG 4.48Å; L995-L998 CarbonylContact O-C 3.58Å; L995-L998 PolarHBondContact O-N 2.77Å; L995-L998 VanDerWaalsContact O-N 3.11Å; L998-Q1000 VanDerWaalsContact C-N 3.29Å; L998-Q1000 PolarHBondContact O-N 3.03Å; L998-V1001 PolarHBondContact O-N 2.9Å; L998-A1002 VanDerWaalsContact O-CB 3.28Å; L998-A1002 WeakPolarHBondContact O-CB 3.11Å; L998-A1002 PolarHBondContact O-N 2.72Å
999	I	88.5	Confident	85.9	Confident	42 Å²	42	41 Å²	41	22%	0.215	19%	0.194	C	C	.	.	H	α-helix	trans	-59.3	-39.8	173.2	-71.9	163.5	0	0	0	110.9	I976 L995 I997 A1002 N1003	I976-I999 HydrophobicContact CG2-CD1 4.24Å; I976-I999 HydrophobicContact CG2-CG1 3.53Å; L995-I999 HydrophobicContact CB-CD1 3.87Å; L995-I999 HydrophobicContact CB-CG1 4.25Å; L995-I999 WeakPolarHBondContact O-CB 3.37Å; L995-I999 VanDerWaalsContact O-CG1 3.28Å; L995-I999 WeakPolarHBondContact O-CG1 3.38Å; L995-I999 PolarHBondContact O-N 3.1Å; I997-I999 VanDerWaalsContact C-N 3.35Å; I997-I999 PolarHBondContact O-N 2.78Å; I999-A1002 WeakPolarHBondContact O-CB 3.46Å; I999-A1002 PolarHBondContact O-N 2.86Å; I999-N1003 WeakPolarHBondContact O-CB 3.37Å; I999-N1003 PolarHBondContact O-N 3.13Å; I999-N1003 PolarHBondContact O-ND2 3.27Å; I999-N1003 VanDerWaalsContact O-ND2 3.15Å
1000	Q	88.2	Confident	86	Confident	36 Å²	36	46.8 Å²	46.8	17%	0.168	22%	0.216	C	C	.	.	H	α-helix	trans	-76	-38.9	-179.3	-70.4	-74.3	32.4	0	0	112.3	N996 I997 L998 A1002 N1003 L1004 H1024 I1027	N996-Q1000 WeakPolarHBondContact O-CG 3.27Å; N996-Q1000 PolarHBondContact O-N 2.89Å; I997-Q1000 PolarHBondContact O-N 2.89Å; L998-Q1000 VanDerWaalsContact C-N 3.29Å; L998-Q1000 PolarHBondContact O-N 3.03Å; Q1000-A1002 VanDerWaalsContact C-N 3.29Å; Q1000-A1002 PolarHBondContact O-N 3.32Å; Q1000-N1003 PolarHBondContact O-N 3.01Å; Q1000-N1003 PolarHBondContact OE1-ND2 3.37Å; Q1000-L1004 WeakPolarHBondContact O-CB 2.96Å; Q1000-L1004 PolarHBondContact O-N 2.99Å; Q1000-H1024 HydrophobicContact CB-CB 4.44Å; Q1000-H1024 PolarHBondContact OE1-ND1 3.24Å; Q1000-I1027 HydrophobicContact CB-CD1 4.2Å; Q1000-I1027 HydrophobicContact CB-CG1 3.86Å
1001	V	88.7	Confident	86.4	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.8	-43.5	168.2	171.4	0	0	0	0	110.7	L953 I997 L998 L1004 L1005 I1027 L1031 L1035	L953-V1001 HydrophobicContact CD2-CB 4.47Å; L953-V1001 HydrophobicContact CD2-CG1 4.41Å; L953-V1001 HydrophobicContact CD2-CG2 4.08Å; I997-V1001 PolarHBondContact O-N 2.78Å; L998-V1001 PolarHBondContact O-N 2.9Å; V1001-L1004 PolarHBondContact O-N 2.86Å; V1001-L1005 HydrophobicContact CG1-CD1 4.07Å; V1001-L1005 WeakPolarHBondContact O-CG 3.45Å; V1001-L1005 PolarHBondContact O-N 2.82Å; V1001-L1005 VanDerWaalsContact O-N 3.07Å; V1001-I1027 HydrophobicContact CG2-CD1 4.1Å; V1001-I1027 HydrophobicContact CG2-CG1 4.18Å; V1001-L1031 HydrophobicContact CG2-CD2 4.13Å; V1001-L1035 HydrophobicContact CB-CD1 4.33Å; V1001-L1035 HydrophobicContact CG1-CD1 3.75Å; V1001-L1035 HydrophobicContact CG1-CD2 4.29Å; V1001-L1035 HydrophobicContact CG2-CD1 3.8Å
1002	A	89.4	Confident	86.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.2	-49.1	175.1	0	0	0	0	0	112.4	L972 L973 I976 L998 I999 Q1000 L1004 A1006	L972-A1002 HydrophobicContact CD2-CB 3.3Å; L973-A1002 HydrophobicContact CB-CB 3.94Å; L973-A1002 HydrophobicContact CD1-CB 4.02Å; I976-A1002 HydrophobicContact CD1-CB 3.86Å; L998-A1002 VanDerWaalsContact O-CB 3.28Å; L998-A1002 WeakPolarHBondContact O-CB 3.11Å; L998-A1002 PolarHBondContact O-N 2.72Å; I999-A1002 WeakPolarHBondContact O-CB 3.46Å; I999-A1002 PolarHBondContact O-N 2.86Å; Q1000-A1002 VanDerWaalsContact C-N 3.29Å; Q1000-A1002 PolarHBondContact O-N 3.32Å; A1002-L1004 PolarHBondContact O-N 2.89Å; A1002-A1006 WeakPolarHBondContact O-CB 3.49Å; A1002-A1006 PolarHBondContact O-N 2.8Å
1003	N	90.6	Very high	86.4	Confident	55 Å²	55	41.7 Å²	41.7	29%	0.294	20%	0.197	S	C	.	.	H	α-helix	trans	-63.3	-40.2	179.3	-71.1	-32.2	0	0	0	112.1	L973 I999 Q1000 A1006 T1007	L973-N1003 WeakPolarHBondContact CD1-OD1 3.43Å; I999-N1003 WeakPolarHBondContact O-CB 3.37Å; I999-N1003 PolarHBondContact O-N 3.13Å; I999-N1003 PolarHBondContact O-ND2 3.27Å; I999-N1003 VanDerWaalsContact O-ND2 3.15Å; Q1000-N1003 PolarHBondContact O-N 3.01Å; Q1000-N1003 PolarHBondContact OE1-ND2 3.37Å; N1003-A1006 CarbonylContact O-C 3.55Å; N1003-T1007 VanDerWaalsContact O-CG2 3.27Å; N1003-T1007 WeakPolarHBondContact O-CG2 3.36Å; N1003-T1007 PolarHBondContact O-N 3.02Å
1004	L	90	Very high	86.6	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-60.1	-56.3	177.4	177.8	74.5	0	0	0	110.8	Q1000 V1001 A1002 A1006 T1007 L1012 M1020 I1027 L1032 L1035	Q1000-L1004 WeakPolarHBondContact O-CB 2.96Å; Q1000-L1004 PolarHBondContact O-N 2.99Å; V1001-L1004 PolarHBondContact O-N 2.86Å; A1002-L1004 PolarHBondContact O-N 2.89Å; L1004-A1006 VanDerWaalsContact C-N 3.32Å; L1004-A1006 PolarHBondContact O-N 2.85Å; L1004-T1007 WeakPolarHBondContact O-CB 3.44Å; L1004-T1007 WeakPolarHBondContact O-CG2 3.49Å; L1004-T1007 PolarHBondContact O-N 3.01Å; L1004-T1007 PolarHBondContact O-OG1 3.01Å; L1004-L1012 HydrophobicContact CD1-CD1 3.74Å; L1004-L1012 HydrophobicContact CG-CD1 4.26Å; L1004-M1020 HydrophobicContact CD1-CG 4.33Å; L1004-M1020 HydrophobicContact CD1-SD 4.07Å; L1004-I1027 HydrophobicContact CB-CD1 4.2Å; L1004-I1027 HydrophobicContact CD2-CD1 3.96Å; L1004-L1032 HydrophobicContact CD1-CD1 4.25Å; L1004-L1032 HydrophobicContact CD2-CD1 3.48Å; L1004-L1032 VanDerWaalsContact CD2-CD1 3.48Å; L1004-L1035 HydrophobicContact CD2-CD1 4.49Å
1005	L	87.7	Confident	86.7	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-64.4	-37.9	-179.6	-63.1	175.7	0	0	0	111.5	I964 H966 G969 V1001 T1007 L1035 Y1039	I964-L1005 HydrophobicContact CG2-CD2 3.66Å; H966-L1005 WeakPolarHBondContact CA-O 3.38Å; H966-L1005 PolarHBondContact ND1-O 2.73Å; G969-L1005 VanDerWaalsContact CA-CB 3.43Å; V1001-L1005 HydrophobicContact CG1-CD1 4.07Å; V1001-L1005 WeakPolarHBondContact O-CG 3.45Å; V1001-L1005 PolarHBondContact O-N 2.82Å; V1001-L1005 VanDerWaalsContact O-N 3.07Å; L1005-T1007 PolarHBondContact O-N 3.46Å; L1005-L1035 HydrophobicContact CD1-CD2 4.48Å; L1005-Y1039 HydrophobicContact CD2-CD2 3.82Å; L1005-Y1039 HydrophobicContact CD2-CE2 3.78Å
1006	A	88.2	Confident	86.7	Confident	18 Å²	18	45.4 Å²	45.4	15%	0.149	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-1.6	174.3	0	0	0	0	0	114.3	H966 T970 L973 A1002 N1003 L1004	H966-A1006 PolarHBondContact CE1-O 3.01Å; H966-A1006 VanDerWaalsContact CE1-O 3.25Å; T970-A1006 HydrophobicContact CG2-CB 4.03Å; L973-A1006 HydrophobicContact CB-CB 4.21Å; L973-A1006 HydrophobicContact CD2-CB 3.57Å; A1002-A1006 WeakPolarHBondContact O-CB 3.49Å; A1002-A1006 PolarHBondContact O-N 2.8Å; N1003-A1006 CarbonylContact O-C 3.55Å; L1004-A1006 VanDerWaalsContact C-N 3.32Å; L1004-A1006 PolarHBondContact O-N 2.85Å
1007	T	86.7	Confident	86.6	Confident	17 Å²	17	43.5 Å²	43.5	10%	0.104	21%	0.212	C	C	.	.	S	Bend	trans	-66.1	140.1	167.4	64.4	0	0	0	0	109.5	H966 N1003 L1004 L1005 R1009 L1012	H966-T1007 PolarHBondContact CE1-O 3.23Å; H966-T1007 PolarHBondContact ND1-O 2.65Å; N1003-T1007 VanDerWaalsContact O-CG2 3.27Å; N1003-T1007 WeakPolarHBondContact O-CG2 3.36Å; N1003-T1007 PolarHBondContact O-N 3.02Å; L1004-T1007 WeakPolarHBondContact O-CB 3.44Å; L1004-T1007 WeakPolarHBondContact O-CG2 3.49Å; L1004-T1007 PolarHBondContact O-N 3.01Å; L1004-T1007 PolarHBondContact O-OG1 3.01Å; L1005-T1007 PolarHBondContact O-N 3.46Å; T1007-R1009 PolarHBondContact O-N 3.41Å; T1007-L1012 WeakPolarHBondContact OG1-CB 3.04Å; T1007-L1012 VanDerWaalsContact OG1-CD1 3.29Å; T1007-L1012 WeakPolarHBondContact OG1-CD1 3.2Å
1008	P	85.4	Confident	86.6	Confident	67 Å²	67	45.7 Å²	45.7	44%	0.435	22%	0.224	S	C	.	.			trans	-60.4	132.7	179.9	-24.4	34.4	0	0	0	111.3	K1010 Q1011 L1012	P1008-K1010 PolarHBondContact O-N 2.76Å; P1008-Q1011 WeakPolarHBondContact O-CA 3.5Å; P1008-Q1011 WeakPolarHBondContact O-CB 3.17Å; P1008-Q1011 PolarHBondContact O-N 2.59Å; P1008-L1012 PolarHBondContact O-N 3.13Å; P1008-L1012 VanDerWaalsContact O-N 3.11Å
1009	R	83.6	Confident	86.6	Confident	91 Å²	91	50.3 Å²	50.3	34%	0.343	25%	0.245	S	C	.	.	H	α-helix	trans	-42.1	-43	-178.7	-169.2	-168.4	-169	-96.2	-3.1	114.3	T1007 Q1011 L1012 L1013 E1040	T1007-R1009 PolarHBondContact O-N 3.41Å; R1009-Q1011 PolarHBondContact O-N 2.73Å; R1009-L1012 PolarHBondContact O-N 2.76Å; R1009-L1013 HydrophobicContact CG-CD1 3.78Å; R1009-L1013 HydrophobicContact CG-CG 4.26Å; R1009-L1013 WeakPolarHBondContact O-CB 3.5Å; R1009-L1013 VanDerWaalsContact O-CG 3.27Å; R1009-L1013 WeakPolarHBondContact O-CG 3.42Å; R1009-L1013 PolarHBondContact O-N 3.26Å; R1009-E1040 WeakPolarHBondContact CD-OE1 3.2Å; R1009-E1040 IonicContact CZ-OE1 2.7Å; R1009-E1040 IonicContact CZ-OE2 3.35Å; R1009-E1040 IonicContact NE-OE1 2.64Å; R1009-E1040 PolarHBondContact NE-OE1 3.48Å; R1009-E1040 IonicContact NE-OE2 3.25Å; R1009-E1040 PolarHBondContact NE-OE2 3.19Å; R1009-E1040 IonicContact NH2-OE2 3.75Å; R1009-E1040 PolarHBondContact NH2-OE2 2.89Å
1010	K	84	Confident	86.5	Confident	182 Å²	182	48.3 Å²	48.3	79%	0.791	24%	0.235	S	C	*	.	H	α-helix	trans	-68.2	-12.2	179.5	-67.4	-178.7	179.3	175.1	0	115.1	P1008 K1014	P1008-K1010 PolarHBondContact O-N 2.76Å; K1010-K1014 WeakPolarHBondContact O-CD 3.38Å; K1010-K1014 WeakPolarHBondContact O-CG 3.13Å
1011	Q	85.2	Confident	86.4	Confident	105 Å²	105	49.2 Å²	49.2	49%	0.491	24%	0.237	S	C	.	.	H	α-helix	trans	-100.8	-46.1	173.3	179.7	177	-20.7	0	0	110.3	P1008 R1009 L1013 K1014 M1015	P1008-Q1011 WeakPolarHBondContact O-CA 3.5Å; P1008-Q1011 WeakPolarHBondContact O-CB 3.17Å; P1008-Q1011 PolarHBondContact O-N 2.59Å; R1009-Q1011 PolarHBondContact O-N 2.73Å; Q1011-L1013 PolarHBondContact O-N 3.05Å; Q1011-K1014 WeakPolarHBondContact O-CA 3.45Å; Q1011-K1014 WeakPolarHBondContact O-CB 3.47Å; Q1011-K1014 PolarHBondContact O-N 3.39Å; Q1011-M1015 HydrophobicContact CG-SD 4.24Å; Q1011-M1015 PolarHBondContact O-N 3.39Å
1012	L	85.4	Confident	86.3	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-55.5	-48.2	177.4	-167.7	73.8	0	0	0	111.7	L1004 T1007 P1008 R1009 K1014 M1015 M1020 Y1039 W1051	L1004-L1012 HydrophobicContact CD1-CD1 3.74Å; L1004-L1012 HydrophobicContact CG-CD1 4.26Å; T1007-L1012 WeakPolarHBondContact OG1-CB 3.04Å; T1007-L1012 VanDerWaalsContact OG1-CD1 3.29Å; T1007-L1012 WeakPolarHBondContact OG1-CD1 3.2Å; P1008-L1012 PolarHBondContact O-N 3.13Å; P1008-L1012 VanDerWaalsContact O-N 3.11Å; R1009-L1012 PolarHBondContact O-N 2.76Å; L1012-K1014 PolarHBondContact O-N 3.28Å; L1012-M1015 PolarHBondContact O-N 3.39Å; L1012-M1020 HydrophobicContact CD1-CE 3.57Å; L1012-M1020 HydrophobicContact CD1-SD 4.34Å; L1012-M1020 HydrophobicContact CG-CE 3.97Å; L1012-M1020 VanDerWaalsContact O-CE 3.31Å; L1012-M1020 WeakPolarHBondContact O-CE 3.15Å; L1012-Y1039 HydrophobicContact CD2-CD1 4.36Å; L1012-Y1039 HydrophobicContact CD2-CD2 3.92Å; L1012-Y1039 HydrophobicContact CD2-CE1 3.96Å; L1012-Y1039 HydrophobicContact CD2-CE2 3.49Å; L1012-Y1039 VanDerWaalsContact CD2-CE2 3.49Å; L1012-Y1039 HydrophobicContact CD2-CG 4.33Å; L1012-Y1039 VanDerWaalsContact CD2-CZ 3.49Å; L1012-W1051 HydrophobicContact CD2-CH2 4.15Å; L1012-W1051 HydrophobicContact CD2-CZ2 4.01Å; L1012-W1051 HydrophobicContact CG-CH2 4.41Å; L1012-W1051 HydrophobicContact CG-CZ2 3.77Å; L1012-W1051 PolarHBondContact O-NE1 3.19Å
1013	L	83.1	Confident	86	Confident	33 Å²	33	59.3 Å²	59.3	17%	0.173	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-0.5	176	-62.9	172.8	0	0	0	114.7	R1009 Q1011 N1047 A1048 W1051	R1009-L1013 HydrophobicContact CG-CD1 3.78Å; R1009-L1013 HydrophobicContact CG-CG 4.26Å; R1009-L1013 WeakPolarHBondContact O-CB 3.5Å; R1009-L1013 VanDerWaalsContact O-CG 3.27Å; R1009-L1013 WeakPolarHBondContact O-CG 3.42Å; R1009-L1013 PolarHBondContact O-N 3.26Å; Q1011-L1013 PolarHBondContact O-N 3.05Å; L1013-N1047 HydrophobicContact CD2-CB 4.11Å; L1013-A1048 HydrophobicContact CD2-CB 3.81Å; L1013-W1051 HydrophobicContact CD2-CH2 3.88Å; L1013-W1051 HydrophobicContact CD2-CZ2 3.74Å; L1013-W1051 HydrophobicContact CG-CZ2 4.46Å
1014	K	84.7	Confident	85.8	Confident	164 Å²	164	57.4 Å²	57.4	71%	0.713	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-21.5	175.9	-69.2	-173.3	179.8	-172.7	0	113.6	K1010 Q1011 L1012	K1010-K1014 WeakPolarHBondContact O-CD 3.38Å; K1010-K1014 WeakPolarHBondContact O-CG 3.13Å; Q1011-K1014 WeakPolarHBondContact O-CA 3.45Å; Q1011-K1014 WeakPolarHBondContact O-CB 3.47Å; Q1011-K1014 PolarHBondContact O-N 3.39Å; L1012-K1014 PolarHBondContact O-N 3.28Å
1015	M	85.5	Confident	85.5	Confident	23 Å²	23	61.1 Å²	61.1	11%	0.113	31%	0.308	C	S	.	.			trans	-68.2	141.7	176.5	-72	174	68.5	0	0	109.4	Q1011 L1012 E1019 M1020 A1023 S1050	Q1011-M1015 HydrophobicContact CG-SD 4.24Å; Q1011-M1015 PolarHBondContact O-N 3.39Å; L1012-M1015 PolarHBondContact O-N 3.39Å; M1015-E1019 HydrophobicContact CB-CB 4.46Å; M1015-E1019 HydrophobicContact CE-CB 4.23Å; M1015-M1020 HydrophobicContact CB-CE 3.81Å; M1015-M1020 HydrophobicContact CB-CG 3.96Å; M1015-M1020 HydrophobicContact CE-CB 4.5Å; M1015-M1020 HydrophobicContact CE-CG 3.9Å; M1015-A1023 HydrophobicContact CE-CB 4.22Å; M1015-S1050 WeakPolarHBondContact O-CB 3.46Å; M1015-S1050 PolarHBondContact O-OG 3.32Å
1016	T	86	Confident	85.3	Confident	58 Å²	58	67.1 Å²	67.1	36%	0.356	33%	0.331	S	S	.	.			trans	-80.4	159	167.6	58.8	0	0	0	0	110.5	N1018 E1019 M1020 S1050	T1016-N1018 PolarHBondContact O-N 3.24Å; T1016-E1019 WeakPolarHBondContact CB-OE2 3.14Å; T1016-E1019 WeakPolarHBondContact CG2-OE2 3.5Å; T1016-E1019 PolarHBondContact N-OE2 3.15Å; T1016-E1019 PolarHBondContact O-N 3.09Å; T1016-E1019 VanDerWaalsContact O-N 3.15Å; T1016-E1019 VanDerWaalsContact OG1-CG 3.3Å; T1016-E1019 WeakPolarHBondContact OG1-CG 3.35Å; T1016-E1019 PolarHBondContact OG1-N 3.49Å; T1016-E1019 PolarHBondContact OG1-OE2 3.29Å; T1016-M1020 PolarHBondContact O-N 3.42Å; T1016-S1050 WeakPolarHBondContact CA-O 3Å
1017	W	85.5	Confident	85.2	Confident	5 Å²	5	66.4 Å²	66.4	2%	0.019	33%	0.325	C	S	.	.	H	α-helix	trans	-48.3	-45.2	173.1	178.6	-92.3	0	0	0	112.6	M1020 R1021 P1029 L1032 R1033 L1036 S1050 S1052 I1053 D1057 V1061	W1017-M1020 WeakPolarHBondContact O-CB 3.26Å; W1017-M1020 PolarHBondContact O-N 3.19Å; W1017-R1021 WeakPolarHBondContact O-CG 3.3Å; W1017-R1021 PolarHBondContact O-N 3Å; W1017-P1029 WeakPolarHBondContact CH2-O 3.38Å; W1017-P1029 HydrophobicContact CZ2-CB 4.44Å; W1017-L1032 HydrophobicContact CD2-CD2 4.27Å; W1017-L1032 HydrophobicContact CE3-CD2 4.07Å; W1017-L1032 HydrophobicContact CE3-CG 4.42Å; W1017-L1032 HydrophobicContact CH2-CB 4.1Å; W1017-L1032 HydrophobicContact CH2-CD2 3.95Å; W1017-L1032 HydrophobicContact CH2-CG 4.01Å; W1017-L1032 HydrophobicContact CZ2-CD2 4.15Å; W1017-L1032 HydrophobicContact CZ3-CB 4.41Å; W1017-L1032 HydrophobicContact CZ3-CD2 3.91Å; W1017-L1032 HydrophobicContact CZ3-CG 3.87Å; W1017-R1033 HydrophobicContact CH2-CB 4.05Å; W1017-R1033 HydrophobicContact CZ3-CB 4.31Å; W1017-L1036 HydrophobicContact CE3-CD1 4.23Å; W1017-L1036 HydrophobicContact CZ3-CD1 4.14Å; W1017-S1050 PolarHBondContact N-O 3.25Å; W1017-S1052 VanDerWaalsContact CB-O 3.24Å; W1017-S1052 WeakPolarHBondContact CB-O 3.31Å; W1017-I1053 HydrophobicContact CD2-CG1 4.47Å; W1017-I1053 HydrophobicContact CE3-CG1 4.23Å; W1017-I1053 HydrophobicContact CH2-CG1 4.26Å; W1017-I1053 HydrophobicContact CZ2-CG1 4.48Å; W1017-I1053 HydrophobicContact CZ2-CG2 4.33Å; W1017-I1053 HydrophobicContact CZ3-CG1 4.12Å; W1017-D1057 HydrophobicContact CZ2-CB 4.3Å; W1017-D1057 PolarHBondContact NE1-OD2 3.44Å; W1017-V1061 HydrophobicContact CH2-CG2 3.96Å; W1017-V1061 HydrophobicContact CZ2-CG2 3.69Å
1018	N	85.8	Confident	85.2	Confident	60 Å²	60	66.6 Å²	66.6	32%	0.321	33%	0.327	S	S	.	.	H	α-helix	trans	-69.3	-39.2	-179.7	-75.3	-11.9	0	0	0	113.3	T1016 M1020 R1021 E1022 D1054	T1016-N1018 PolarHBondContact O-N 3.24Å; N1018-M1020 VanDerWaalsContact C-N 3.27Å; N1018-M1020 PolarHBondContact O-N 2.88Å; N1018-R1021 PolarHBondContact O-N 2.91Å; N1018-E1022 WeakPolarHBondContact O-CB 3.38Å; N1018-E1022 WeakPolarHBondContact O-CG 3.45Å; N1018-E1022 PolarHBondContact O-N 3.44Å; N1018-D1054 PolarHBondContact ND2-OD2 3.16Å; N1018-D1054 WeakPolarHBondContact OD1-CB 3.18Å; N1018-D1054 PolarHBondContact OD1-OD2 2.99Å
1019	E	86.4	Confident	85.2	Confident	97 Å²	97	64 Å²	64	45%	0.453	31%	0.31	S	S	.	.	H	α-helix	trans	-62.8	-34.2	172.9	-72.2	164.6	128.5	0	0	111.9	M1015 T1016 A1023	M1015-E1019 HydrophobicContact CB-CB 4.46Å; M1015-E1019 HydrophobicContact CE-CB 4.23Å; T1016-E1019 WeakPolarHBondContact CB-OE2 3.14Å; T1016-E1019 WeakPolarHBondContact CG2-OE2 3.5Å; T1016-E1019 PolarHBondContact N-OE2 3.15Å; T1016-E1019 PolarHBondContact O-N 3.09Å; T1016-E1019 VanDerWaalsContact O-N 3.15Å; T1016-E1019 VanDerWaalsContact OG1-CG 3.3Å; T1016-E1019 WeakPolarHBondContact OG1-CG 3.35Å; T1016-E1019 PolarHBondContact OG1-N 3.49Å; T1016-E1019 PolarHBondContact OG1-OE2 3.29Å; E1019-A1023 VanDerWaalsContact O-CB 3.25Å; E1019-A1023 WeakPolarHBondContact O-CB 3.33Å; E1019-A1023 PolarHBondContact O-N 2.91Å
1020	M	86.1	Confident	85.2	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68.5	-42.1	172.9	-65.7	-173.2	-175.7	0	0	112.2	L1004 L1012 M1015 T1016 W1017 N1018 A1023 H1024 L1032 L1036 W1051	L1004-M1020 HydrophobicContact CD1-CG 4.33Å; L1004-M1020 HydrophobicContact CD1-SD 4.07Å; L1012-M1020 HydrophobicContact CD1-CE 3.57Å; L1012-M1020 HydrophobicContact CD1-SD 4.34Å; L1012-M1020 HydrophobicContact CG-CE 3.97Å; L1012-M1020 VanDerWaalsContact O-CE 3.31Å; L1012-M1020 WeakPolarHBondContact O-CE 3.15Å; M1015-M1020 HydrophobicContact CB-CE 3.81Å; M1015-M1020 HydrophobicContact CB-CG 3.96Å; M1015-M1020 HydrophobicContact CE-CB 4.5Å; M1015-M1020 HydrophobicContact CE-CG 3.9Å; T1016-M1020 PolarHBondContact O-N 3.42Å; W1017-M1020 WeakPolarHBondContact O-CB 3.26Å; W1017-M1020 PolarHBondContact O-N 3.19Å; N1018-M1020 VanDerWaalsContact C-N 3.27Å; N1018-M1020 PolarHBondContact O-N 2.88Å; M1020-A1023 PolarHBondContact O-N 3.49Å; M1020-H1024 WeakPolarHBondContact O-CB 3.38Å; M1020-H1024 PolarHBondContact O-N 3.45Å; M1020-L1032 HydrophobicContact CB-CD2 4.15Å; M1020-L1032 HydrophobicContact SD-CD1 4.31Å; M1020-L1036 HydrophobicContact CE-CD2 4.08Å; M1020-L1036 HydrophobicContact SD-CD1 3.74Å; M1020-L1036 HydrophobicContact SD-CD2 3.93Å; M1020-L1036 HydrophobicContact SD-CG 4.44Å; M1020-W1051 HydrophobicContact CE-CG 4.46Å; M1020-W1051 HydrophobicContact CE-CZ2 4.32Å
1021	R	87.7	Confident	85.4	Confident	55 Å²	55	51.2 Å²	51.2	21%	0.208	26%	0.257	C	S	.	.	H	α-helix	trans	-68.3	-34.6	177.3	-69.1	-60.7	-54.6	-66.6	6.9	113	W1017 N1018 S1025 L1032 D1057	W1017-R1021 WeakPolarHBondContact O-CG 3.3Å; W1017-R1021 PolarHBondContact O-N 3Å; N1018-R1021 PolarHBondContact O-N 2.91Å; R1021-S1025 WeakPolarHBondContact O-CA 3.3Å; R1021-S1025 WeakPolarHBondContact O-CB 3.29Å; R1021-S1025 PolarHBondContact O-N 3.24Å; R1021-S1025 VanDerWaalsContact O-N 3.16Å; R1021-L1032 HydrophobicContact CG-CD2 3.92Å; R1021-D1057 IonicContact CZ-OD1 2.71Å; R1021-D1057 IonicContact CZ-OD2 2.82Å; R1021-D1057 IonicContact NH1-OD1 2.76Å; R1021-D1057 PolarHBondContact NH1-OD1 3.3Å; R1021-D1057 IonicContact NH1-OD2 3.21Å; R1021-D1057 PolarHBondContact NH1-OD2 2.92Å
1022	E	84.9	Confident	85.5	Confident	164 Å²	164	46.3 Å²	46.3	77%	0.766	23%	0.234	S	C	*	.	H	α-helix	trans	-68.7	-41.8	172	-73.8	-178.4	-172.7	0	0	111.8	N1018	N1018-E1022 WeakPolarHBondContact O-CB 3.38Å; N1018-E1022 WeakPolarHBondContact O-CG 3.45Å; N1018-E1022 PolarHBondContact O-N 3.44Å
1023	A	83.7	Confident	85.4	Confident	48 Å²	48	49.4 Å²	49.4	40%	0.397	25%	0.246	S	C	.	.	H	α-helix	trans	-71.3	-36.9	178.5	0	0	0	0	0	113.8	M1015 E1019 M1020	M1015-A1023 HydrophobicContact CE-CB 4.22Å; E1019-A1023 VanDerWaalsContact O-CB 3.25Å; E1019-A1023 WeakPolarHBondContact O-CB 3.33Å; E1019-A1023 PolarHBondContact O-N 2.91Å; M1020-A1023 PolarHBondContact O-N 3.49Å
1024	H	86.3	Confident	85.5	Confident	16 Å²	16	50.2 Å²	50.2	7%	0.074	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	42.2	-169.6	-56	-67.1	0	0	0	112.8	Q1000 M1020 Y1026 I1027	Q1000-H1024 HydrophobicContact CB-CB 4.44Å; Q1000-H1024 PolarHBondContact OE1-ND1 3.24Å; M1020-H1024 WeakPolarHBondContact O-CB 3.38Å; M1020-H1024 PolarHBondContact O-N 3.45Å; H1024-Y1026 PolarHBondContact O-N 3.3Å; H1024-I1027 HydrophobicContact CB-CD1 3.67Å; H1024-I1027 HydrophobicContact CB-CG1 4.09Å; H1024-I1027 WeakPolarHBondContact O-CG1 3.33Å; H1024-I1027 PolarHBondContact O-N 3.28Å
1025	S	84.3	Confident	85.6	Confident	78 Å²	78	42.5 Å²	42.5	55%	0.545	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-11.3	-172.1	58.3	0	0	0	0	117.8	R1021	R1021-S1025 WeakPolarHBondContact O-CA 3.3Å; R1021-S1025 WeakPolarHBondContact O-CB 3.29Å; R1021-S1025 PolarHBondContact O-N 3.24Å; R1021-S1025 VanDerWaalsContact O-N 3.16Å
1026	Y	83.6	Confident	85.6	Confident	129 Å²	129	41.7 Å²	41.7	51%	0.506	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-11	172.2	-73.2	-96.3	0	0	0	114.2	N996 H1024 P1028	N996-Y1026 HydrophobicContact CB-CD1 4.45Å; H1024-Y1026 PolarHBondContact O-N 3.3Å; Y1026-P1028 WeakPolarHBondContact O-CD 3.46Å
1027	I	85.6	Confident	85.4	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.01	21%	0.213	C	C	.	.	S	Bend	trans	-80.6	123.7	175.7	-54.2	179.3	0	0	0	108.4	Q1000 V1001 L1004 H1024 L1031 L1032	Q1000-I1027 HydrophobicContact CB-CD1 4.2Å; Q1000-I1027 HydrophobicContact CB-CG1 3.86Å; V1001-I1027 HydrophobicContact CG2-CD1 4.1Å; V1001-I1027 HydrophobicContact CG2-CG1 4.18Å; L1004-I1027 HydrophobicContact CB-CD1 4.2Å; L1004-I1027 HydrophobicContact CD2-CD1 3.96Å; H1024-I1027 HydrophobicContact CB-CD1 3.67Å; H1024-I1027 HydrophobicContact CB-CG1 4.09Å; H1024-I1027 WeakPolarHBondContact O-CG1 3.33Å; H1024-I1027 PolarHBondContact O-N 3.28Å; I1027-L1031 HydrophobicContact CG2-CB 4.11Å; I1027-L1031 HydrophobicContact CG2-CD2 4.13Å; I1027-L1031 HydrophobicContact CG2-CG 4.04Å; I1027-L1032 HydrophobicContact CG2-CB 3.97Å
1028	P	86.7	Confident	85.4	Confident	22 Å²	22	47.5 Å²	47.5	14%	0.143	23%	0.234	C	C	.	.			trans	-62.3	151.5	174.2	-22.6	34	0	0	0	112.3	Y1026 A1030 L1031 L1032 L1068	Y1026-P1028 WeakPolarHBondContact O-CD 3.46Å; P1028-A1030 PolarHBondContact O-N 2.95Å; P1028-L1031 HydrophobicContact CB-CB 4.39Å; P1028-L1031 PolarHBondContact O-N 2.85Å; P1028-L1031 VanDerWaalsContact O-N 3.16Å; P1028-L1032 PolarHBondContact O-N 3.47Å; P1028-L1068 HydrophobicContact CB-CB 4.13Å; P1028-L1068 HydrophobicContact CB-CD1 3.95Å; P1028-L1068 HydrophobicContact CB-CG 4.45Å; P1028-L1068 HydrophobicContact CG-CB 4.37Å
1029	P	85.1	Confident	85.3	Confident	12 Å²	12	44.7 Å²	44.7	8%	0.078	22%	0.219	C	C	.	.	H	α-helix	trans	-58.3	-48	-173	-24.6	34.6	0	0	0	114	W1017 L1031 L1032 R1033 D1057 V1060 V1061	W1017-P1029 WeakPolarHBondContact CH2-O 3.38Å; W1017-P1029 HydrophobicContact CZ2-CB 4.44Å; P1029-L1031 VanDerWaalsContact C-N 3.34Å; P1029-L1031 PolarHBondContact O-N 3.3Å; P1029-L1032 PolarHBondContact O-N 2.74Å; P1029-R1033 PolarHBondContact O-N 3.01Å; P1029-D1057 HydrophobicContact CB-CB 4.34Å; P1029-V1060 HydrophobicContact CB-CB 4.32Å; P1029-V1060 HydrophobicContact CB-CG1 4.26Å; P1029-V1060 HydrophobicContact CG-CB 4.07Å; P1029-V1060 HydrophobicContact CG-CG1 3.75Å; P1029-V1061 HydrophobicContact CB-CG2 3.38Å
1030	A	84.9	Confident	85	Confident	3 Å²	3	42.5 Å²	42.5	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-34.7	177.6	0	0	0	0	0	113.4	P1028 R1033 F1034 E1063 P1065 L1068	P1028-A1030 PolarHBondContact O-N 2.95Å; A1030-R1033 WeakPolarHBondContact O-CB 3.33Å; A1030-R1033 PolarHBondContact O-N 3.27Å; A1030-F1034 PolarHBondContact O-N 3.46Å; A1030-E1063 WeakPolarHBondContact CB-O 3.4Å; A1030-P1065 HydrophobicContact CB-CB 4.47Å; A1030-L1068 HydrophobicContact CB-CD1 3.95Å
1031	L	86.5	Confident	84.6	Confident	1 Å²	1	48 Å²	48	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-67.7	-38.7	175.2	-178.8	61.1	0	0	0	111.4	L953 L957 I997 V1001 I1027 P1028 P1029 L1035 P1065 I1069	L953-L1031 HydrophobicContact CD2-CD2 4.44Å; L957-L1031 HydrophobicContact CD2-CD1 3.85Å; I997-L1031 HydrophobicContact CG2-CD2 4.27Å; V1001-L1031 HydrophobicContact CG2-CD2 4.13Å; I1027-L1031 HydrophobicContact CG2-CB 4.11Å; I1027-L1031 HydrophobicContact CG2-CD2 4.13Å; I1027-L1031 HydrophobicContact CG2-CG 4.04Å; P1028-L1031 HydrophobicContact CB-CB 4.39Å; P1028-L1031 PolarHBondContact O-N 2.85Å; P1028-L1031 VanDerWaalsContact O-N 3.16Å; P1029-L1031 VanDerWaalsContact C-N 3.34Å; P1029-L1031 PolarHBondContact O-N 3.3Å; L1031-L1035 HydrophobicContact CD1-CD1 4.1Å; L1031-L1035 HydrophobicContact CD1-CG 4.23Å; L1031-L1035 HydrophobicContact CG-CD1 3.96Å; L1031-L1035 WeakPolarHBondContact O-CB 3.48Å; L1031-L1035 WeakPolarHBondContact O-CD1 3.44Å; L1031-L1035 WeakPolarHBondContact O-CG 3.49Å; L1031-L1035 PolarHBondContact O-N 3.02Å; L1031-L1035 VanDerWaalsContact O-N 3.11Å; L1031-P1065 HydrophobicContact CB-CB 4.14Å; L1031-P1065 HydrophobicContact CD1-CB 4.24Å; L1031-I1069 HydrophobicContact CD1-CD1 4.05Å; L1031-I1069 HydrophobicContact CD2-CD1 3.97Å; L1031-I1069 HydrophobicContact CD2-CG1 4.2Å
1032	L	88	Confident	84	Confident	2 Å²	2	46 Å²	46	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-44	172.5	178.8	62.6	0	0	0	111	L1004 W1017 M1020 R1021 I1027 P1028 P1029 L1035 L1036	L1004-L1032 HydrophobicContact CD1-CD1 4.25Å; L1004-L1032 HydrophobicContact CD2-CD1 3.48Å; L1004-L1032 VanDerWaalsContact CD2-CD1 3.48Å; W1017-L1032 HydrophobicContact CD2-CD2 4.27Å; W1017-L1032 HydrophobicContact CE3-CD2 4.07Å; W1017-L1032 HydrophobicContact CE3-CG 4.42Å; W1017-L1032 HydrophobicContact CH2-CB 4.1Å; W1017-L1032 HydrophobicContact CH2-CD2 3.95Å; W1017-L1032 HydrophobicContact CH2-CG 4.01Å; W1017-L1032 HydrophobicContact CZ2-CD2 4.15Å; W1017-L1032 HydrophobicContact CZ3-CB 4.41Å; W1017-L1032 HydrophobicContact CZ3-CD2 3.91Å; W1017-L1032 HydrophobicContact CZ3-CG 3.87Å; M1020-L1032 HydrophobicContact CB-CD2 4.15Å; M1020-L1032 HydrophobicContact SD-CD1 4.31Å; R1021-L1032 HydrophobicContact CG-CD2 3.92Å; I1027-L1032 HydrophobicContact CG2-CB 3.97Å; P1028-L1032 PolarHBondContact O-N 3.47Å; P1029-L1032 PolarHBondContact O-N 2.74Å; L1032-L1035 PolarHBondContact O-N 3.05Å; L1032-L1036 HydrophobicContact CD1-CD1 3.87Å; L1032-L1036 HydrophobicContact CD1-CG 4.15Å; L1032-L1036 HydrophobicContact CG-CD1 3.91Å; L1032-L1036 VanDerWaalsContact O-CG 3.27Å; L1032-L1036 WeakPolarHBondContact O-CG 3.31Å; L1032-L1036 PolarHBondContact O-N 3.43Å
1033	R	84.1	Confident	83.3	Confident	66 Å²	66	43.5 Å²	43.5	25%	0.249	22%	0.218	C	C	.	.	H	α-helix	trans	-56.7	-55.2	177.4	-174.1	-135.3	-170.3	127.6	2.3	111.5	W1017 P1029 A1030 L1035 L1036 E1037 V1061 D1062	W1017-R1033 HydrophobicContact CH2-CB 4.05Å; W1017-R1033 HydrophobicContact CZ3-CB 4.31Å; P1029-R1033 PolarHBondContact O-N 3.01Å; A1030-R1033 WeakPolarHBondContact O-CB 3.33Å; A1030-R1033 PolarHBondContact O-N 3.27Å; R1033-L1035 PolarHBondContact O-N 3.41Å; R1033-L1036 PolarHBondContact O-N 3.24Å; R1033-E1037 WeakPolarHBondContact CD-OE2 3.44Å; R1033-E1037 HydrophobicContact CG-CG 4.3Å; R1033-E1037 IonicContact CZ-OE1 2.69Å; R1033-E1037 IonicContact NE-OE1 3.16Å; R1033-E1037 PolarHBondContact NE-OE1 3.18Å; R1033-E1037 IonicContact NE-OE2 3.35Å; R1033-E1037 PolarHBondContact NE-OE2 3.48Å; R1033-E1037 IonicContact NH2-OE1 3.93Å; R1033-E1037 PolarHBondContact O-N 2.86Å; R1033-V1061 HydrophobicContact CB-CG1 3.71Å; R1033-V1061 HydrophobicContact CG-CG1 3.6Å; R1033-V1061 PolarHBondContact NH1-O 3.29Å; R1033-D1062 IonicContact CZ-OD1 3.65Å; R1033-D1062 IonicContact NH1-OD1 3.33Å; R1033-D1062 PolarHBondContact NH1-OD1 2.84Å; R1033-D1062 IonicContact NH2-OD1 2.82Å
1034	F	85.2	Confident	82.9	Confident	50 Å²	50	41.2 Å²	41.2	22%	0.219	20%	0.199	C	C	.	.	H	α-helix	trans	-55.5	-47.9	178.7	-179.4	-84.4	0	0	0	112.2	L957 I964 A1030 L1036 E1037 E1038	L957-F1034 HydrophobicContact CD2-CD1 3.36Å; L957-F1034 HydrophobicContact CD2-CD2 4.33Å; L957-F1034 HydrophobicContact CD2-CE1 3.48Å; L957-F1034 VanDerWaalsContact CD2-CE1 3.48Å; L957-F1034 HydrophobicContact CD2-CE2 4.43Å; L957-F1034 HydrophobicContact CD2-CG 3.82Å; L957-F1034 HydrophobicContact CD2-CZ 4.03Å; L957-F1034 WeakPolarHBondContact O-CZ 3.21Å; I964-F1034 HydrophobicContact CD1-CD1 4.35Å; I964-F1034 HydrophobicContact CD1-CE1 3.73Å; A1030-F1034 PolarHBondContact O-N 3.46Å; F1034-L1036 PolarHBondContact O-N 2.94Å; F1034-L1036 VanDerWaalsContact O-N 3.14Å; F1034-E1037 PolarHBondContact O-N 3.25Å; F1034-E1038 HydrophobicContact CD2-CG 4.49Å; F1034-E1038 HydrophobicContact CE1-CG 4.14Å; F1034-E1038 HydrophobicContact CE2-CG 4.07Å; F1034-E1038 HydrophobicContact CZ-CG 3.87Å; F1034-E1038 PolarHBondContact O-N 3.49Å
1035	L	85.6	Confident	82.2	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-17.2	180	-72.3	170	0	0	0	114.2	I956 I964 V1001 L1004 L1005 L1031 L1032 R1033	I956-L1035 HydrophobicContact CG2-CD2 3.84Å; I964-L1035 HydrophobicContact CD1-CD2 4.31Å; I964-L1035 HydrophobicContact CG2-CD2 4.18Å; I964-L1035 WeakPolarHBondContact CG2-O 3.35Å; V1001-L1035 HydrophobicContact CB-CD1 4.33Å; V1001-L1035 HydrophobicContact CG1-CD1 3.75Å; V1001-L1035 HydrophobicContact CG1-CD2 4.29Å; V1001-L1035 HydrophobicContact CG2-CD1 3.8Å; L1004-L1035 HydrophobicContact CD2-CD1 4.49Å; L1005-L1035 HydrophobicContact CD1-CD2 4.48Å; L1031-L1035 HydrophobicContact CD1-CD1 4.1Å; L1031-L1035 HydrophobicContact CD1-CG 4.23Å; L1031-L1035 HydrophobicContact CG-CD1 3.96Å; L1031-L1035 WeakPolarHBondContact O-CB 3.48Å; L1031-L1035 WeakPolarHBondContact O-CD1 3.44Å; L1031-L1035 WeakPolarHBondContact O-CG 3.49Å; L1031-L1035 PolarHBondContact O-N 3.02Å; L1031-L1035 VanDerWaalsContact O-N 3.11Å; L1032-L1035 PolarHBondContact O-N 3.05Å; R1033-L1035 PolarHBondContact O-N 3.41Å
1036	L	84.9	Confident	81.5	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-98.5	-38.2	175.7	-67.6	174.8	0	0	0	112.1	W1017 M1020 L1032 R1033 F1034 Y1039 W1051	W1017-L1036 HydrophobicContact CE3-CD1 4.23Å; W1017-L1036 HydrophobicContact CZ3-CD1 4.14Å; M1020-L1036 HydrophobicContact CE-CD2 4.08Å; M1020-L1036 HydrophobicContact SD-CD1 3.74Å; M1020-L1036 HydrophobicContact SD-CD2 3.93Å; M1020-L1036 HydrophobicContact SD-CG 4.44Å; L1032-L1036 HydrophobicContact CD1-CD1 3.87Å; L1032-L1036 HydrophobicContact CD1-CG 4.15Å; L1032-L1036 HydrophobicContact CG-CD1 3.91Å; L1032-L1036 VanDerWaalsContact O-CG 3.27Å; L1032-L1036 WeakPolarHBondContact O-CG 3.31Å; L1032-L1036 PolarHBondContact O-N 3.43Å; R1033-L1036 PolarHBondContact O-N 3.24Å; F1034-L1036 PolarHBondContact O-N 2.94Å; F1034-L1036 VanDerWaalsContact O-N 3.14Å; L1036-Y1039 WeakPolarHBondContact O-CB 3.41Å; L1036-Y1039 PolarHBondContact O-N 3.24Å; L1036-W1051 HydrophobicContact CB-CD2 4.42Å; L1036-W1051 HydrophobicContact CB-CE3 3.72Å; L1036-W1051 HydrophobicContact CB-CZ3 3.95Å; L1036-W1051 HydrophobicContact CD1-CD2 4.34Å; L1036-W1051 HydrophobicContact CD1-CE3 4.44Å; L1036-W1051 HydrophobicContact CD1-CG 4.38Å; L1036-W1051 HydrophobicContact CD2-CD2 3.96Å; L1036-W1051 HydrophobicContact CD2-CE3 3.84Å; L1036-W1051 HydrophobicContact CD2-CH2 3.88Å; L1036-W1051 HydrophobicContact CD2-CZ2 4.01Å; L1036-W1051 HydrophobicContact CD2-CZ3 3.79Å; L1036-W1051 HydrophobicContact CG-CD2 4.47Å; L1036-W1051 HydrophobicContact CG-CE3 4.2Å; L1036-W1051 HydrophobicContact CG-CZ3 4.44Å; L1036-W1051 WeakPolarHBondContact O-CZ3 3.3Å
1037	E	83.5	Confident	80.9	Confident	89 Å²	89	43.9 Å²	43.9	42%	0.416	22%	0.217	S	C	.	.	H	α-helix	trans	-65.4	-37.9	176.2	-76.2	177.6	158.5	0	0	111.9	R1033 F1034 G1042	R1033-E1037 WeakPolarHBondContact CD-OE2 3.44Å; R1033-E1037 HydrophobicContact CG-CG 4.3Å; R1033-E1037 IonicContact CZ-OE1 2.69Å; R1033-E1037 IonicContact NE-OE1 3.16Å; R1033-E1037 PolarHBondContact NE-OE1 3.18Å; R1033-E1037 IonicContact NE-OE2 3.35Å; R1033-E1037 PolarHBondContact NE-OE2 3.48Å; R1033-E1037 IonicContact NH2-OE1 3.93Å; R1033-E1037 PolarHBondContact O-N 2.86Å; F1034-E1037 PolarHBondContact O-N 3.25Å; E1037-G1042 VanDerWaalsContact O-CA 3.24Å; E1037-G1042 WeakPolarHBondContact O-CA 3.21Å
1038	E	83.6	Confident	80.4	Confident	97 Å²	97	44 Å²	44	45%	0.453	22%	0.219	S	C	.	.	S	Bend	trans	-89.5	-0.7	175.6	-68.5	-63.2	148.6	0	0	113.9	I964 F1034 E1040 E1041	I964-E1038 HydrophobicContact CD1-CB 3.8Å; F1034-E1038 HydrophobicContact CD2-CG 4.49Å; F1034-E1038 HydrophobicContact CE1-CG 4.14Å; F1034-E1038 HydrophobicContact CE2-CG 4.07Å; F1034-E1038 HydrophobicContact CZ-CG 3.87Å; F1034-E1038 PolarHBondContact O-N 3.49Å; E1038-E1040 PolarHBondContact O-N 2.79Å; E1038-E1041 PolarHBondContact O-N 3.31Å; E1038-E1041 VanDerWaalsContact O-N 3.08Å
1039	Y	84.6	Confident	79.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	126.2	-175.7	-165.9	-89	0	0	0	111.4	I964 H966 L1005 L1012 L1036 E1041 G1042 F1043 G1044 W1051	I964-Y1039 HydrophobicContact CG2-CD2 4.16Å; I964-Y1039 CarbonylContact O-C 3.56Å; I964-Y1039 WeakPolarHBondContact O-CA 3.49Å; H966-Y1039 PolarHBondContact N-OH 3.11Å; L1005-Y1039 HydrophobicContact CD2-CD2 3.82Å; L1005-Y1039 HydrophobicContact CD2-CE2 3.78Å; L1012-Y1039 HydrophobicContact CD2-CD1 4.36Å; L1012-Y1039 HydrophobicContact CD2-CD2 3.92Å; L1012-Y1039 HydrophobicContact CD2-CE1 3.96Å; L1012-Y1039 HydrophobicContact CD2-CE2 3.49Å; L1012-Y1039 VanDerWaalsContact CD2-CE2 3.49Å; L1012-Y1039 HydrophobicContact CD2-CG 4.33Å; L1012-Y1039 VanDerWaalsContact CD2-CZ 3.49Å; L1036-Y1039 WeakPolarHBondContact O-CB 3.41Å; L1036-Y1039 PolarHBondContact O-N 3.24Å; Y1039-E1041 VanDerWaalsContact C-N 3.34Å; Y1039-E1041 PolarHBondContact O-N 2.92Å; Y1039-G1042 PolarHBondContact O-N 2.93Å; Y1039-F1043 PolarHBondContact O-N 2.89Å; Y1039-G1044 WeakPolarHBondContact O-CA 3.47Å; Y1039-G1044 PolarHBondContact O-N 2.94Å; Y1039-W1051 HydrophobicContact CD1-CH2 4.27Å; Y1039-W1051 HydrophobicContact CG-CH2 4.35Å
1040	E	79.2	Confident	79	Confident	51 Å²	51	51.3 Å²	51.3	24%	0.238	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	50.4	-170.8	-67.4	172.9	174.6	0	0	112.4	I964 D965 R1009 E1038 G1042 F1043	I964-E1040 PolarHBondContact O-N 3.3Å; D965-E1040 HydrophobicContact CB-CG 4.29Å; R1009-E1040 WeakPolarHBondContact CD-OE1 3.2Å; R1009-E1040 IonicContact CZ-OE1 2.7Å; R1009-E1040 IonicContact CZ-OE2 3.35Å; R1009-E1040 IonicContact NE-OE1 2.64Å; R1009-E1040 PolarHBondContact NE-OE1 3.48Å; R1009-E1040 IonicContact NE-OE2 3.25Å; R1009-E1040 PolarHBondContact NE-OE2 3.19Å; R1009-E1040 IonicContact NH2-OE2 3.75Å; R1009-E1040 PolarHBondContact NH2-OE2 2.89Å; E1038-E1040 PolarHBondContact O-N 2.79Å; E1040-G1042 PolarHBondContact O-N 2.97Å; E1040-F1043 HydrophobicContact CB-CB 4.28Å; E1040-F1043 VanDerWaalsContact O-CB 3.32Å; E1040-F1043 WeakPolarHBondContact O-CB 3.48Å; E1040-F1043 WeakPolarHBondContact O-CD2 3.38Å; E1040-F1043 PolarHBondContact O-N 2.89Å
1041	E	77.7	Confident	78.8	Confident	115 Å²	115	52.3 Å²	52.3	54%	0.537	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	35.1	-179.8	-61.1	168.9	-166.6	0	0	112.1	K963 E1038 Y1039 F1043	K963-E1041 VanDerWaalsContact CE-OE1 3.24Å; K963-E1041 WeakPolarHBondContact CE-OE1 3.38Å; K963-E1041 IonicContact NZ-OE1 3.01Å; K963-E1041 PolarHBondContact NZ-OE1 3.22Å; E1038-E1041 PolarHBondContact O-N 3.31Å; E1038-E1041 VanDerWaalsContact O-N 3.08Å; Y1039-E1041 VanDerWaalsContact C-N 3.34Å; Y1039-E1041 PolarHBondContact O-N 2.92Å; E1041-F1043 VanDerWaalsContact C-N 3.29Å; E1041-F1043 PolarHBondContact O-N 2.9Å
1042	G	75.2	Confident	78.4	Confident	13 Å²	13	56.5 Å²	56.5	13%	0.134	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-3.7	-176.6	0	0	0	0	0	115.8	E1037 Y1039 E1040 G1044 Q1046	E1037-G1042 VanDerWaalsContact O-CA 3.24Å; E1037-G1042 WeakPolarHBondContact O-CA 3.21Å; Y1039-G1042 PolarHBondContact O-N 2.93Å; E1040-G1042 PolarHBondContact O-N 2.97Å; G1042-G1044 PolarHBondContact O-N 2.91Å; G1042-Q1046 WeakPolarHBondContact O-CG 3.45Å; G1042-Q1046 PolarHBondContact O-N 3.42Å; G1042-Q1046 PolarHBondContact O-NE2 2.93Å
1043	F	71.5	Confident	78	Confident	113 Å²	113	59.6 Å²	59.6	50%	0.496	31%	0.307	S	S	.	.	H	α-helix	trans	-67.4	-22.5	171.6	-66.5	-63.1	0	0	0	112.4	Y1039 E1040 E1041 N1047	Y1039-F1043 PolarHBondContact O-N 2.89Å; E1040-F1043 HydrophobicContact CB-CB 4.28Å; E1040-F1043 VanDerWaalsContact O-CB 3.32Å; E1040-F1043 WeakPolarHBondContact O-CB 3.48Å; E1040-F1043 WeakPolarHBondContact O-CD2 3.38Å; E1040-F1043 PolarHBondContact O-N 2.89Å; E1041-F1043 VanDerWaalsContact C-N 3.29Å; E1041-F1043 PolarHBondContact O-N 2.9Å; F1043-N1047 PolarHBondContact O-N 3.19Å; F1043-N1047 PolarHBondContact O-ND2 2.95Å
1044	G	73.8	Confident	77.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.3	-59.9	172.7	0	0	0	0	0	112.1	Y1039 G1042 Q1046 N1047 A1048 W1051	Y1039-G1044 WeakPolarHBondContact O-CA 3.47Å; Y1039-G1044 PolarHBondContact O-N 2.94Å; G1042-G1044 PolarHBondContact O-N 2.91Å; G1044-Q1046 VanDerWaalsContact C-N 3.33Å; G1044-Q1046 PolarHBondContact O-N 3.28Å; G1044-N1047 PolarHBondContact O-N 3.11Å; G1044-A1048 WeakPolarHBondContact O-CB 3.49Å; G1044-A1048 PolarHBondContact O-N 3.3Å; G1044-W1051 VanDerWaalsContact C-CZ3 3.46Å
1045	A	72.8	Confident	77.4	Confident	41 Å²	41	64.4 Å²	64.4	34%	0.339	33%	0.334	S	S	.	.	H	α-helix	trans	-58.2	-41.8	-178.9	0	0	0	0	0	112.7	N1047 A1048 W1051	A1045-N1047 PolarHBondContact O-N 3.48Å; A1045-A1048 PolarHBondContact O-N 3.5Å; A1045-A1048 VanDerWaalsContact O-N 3.1Å; A1045-W1051 HydrophobicContact CB-CE3 4.42Å
1046	Q	69.7	Low	77.1	Confident	138 Å²	138	71.9 Å²	71.9	65%	0.645	37%	0.366	S	S	*	.	H	α-helix	trans	-61	-25.5	176.5	-68.2	173.7	44.4	0	0	113.8	G1042 G1044	G1042-Q1046 WeakPolarHBondContact O-CG 3.45Å; G1042-Q1046 PolarHBondContact O-N 3.42Å; G1042-Q1046 PolarHBondContact O-NE2 2.93Å; G1044-Q1046 VanDerWaalsContact C-N 3.33Å; G1044-Q1046 PolarHBondContact O-N 3.28Å
1047	N	71	Confident	76.9	Confident	99 Å²	99	72.6 Å²	72.6	53%	0.529	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-6.5	178.5	-79.7	-68.4	0	0	0	113.5	L1013 F1043 G1044 A1045	L1013-N1047 HydrophobicContact CD2-CB 4.11Å; F1043-N1047 PolarHBondContact O-N 3.19Å; F1043-N1047 PolarHBondContact O-ND2 2.95Å; G1044-N1047 PolarHBondContact O-N 3.11Å; A1045-N1047 PolarHBondContact O-N 3.48Å
1048	A	73.8	Confident	76.7	Confident	6 Å²	6	70.6 Å²	70.6	5%	0.05	37%	0.369	C	S	.	.			trans	-126.1	71	-162.6	0	0	0	0	0	114.3	L1013 G1044 A1045 S1050 W1051	L1013-A1048 HydrophobicContact CD2-CB 3.81Å; G1044-A1048 WeakPolarHBondContact O-CB 3.49Å; G1044-A1048 PolarHBondContact O-N 3.3Å; A1045-A1048 PolarHBondContact O-N 3.5Å; A1045-A1048 VanDerWaalsContact O-N 3.1Å; A1048-S1050 PolarHBondContact O-N 3.03Å; A1048-W1051 HydrophobicContact CB-CD2 3.31Å; A1048-W1051 HydrophobicContact CB-CE3 3.68Å; A1048-W1051 HydrophobicContact CB-CG 3.73Å; A1048-W1051 HydrophobicContact CB-CH2 4.14Å; A1048-W1051 HydrophobicContact CB-CZ2 3.78Å; A1048-W1051 HydrophobicContact CB-CZ3 4.09Å; A1048-W1051 PolarHBondContact O-N 2.82Å
1049	N	68.8	Low	76.3	Confident	157 Å²	157	70 Å²	70	84%	0.84	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-9.1	174.6	-65.6	6	0	0	0	114.8
1050	S	74.8	Confident	76	Confident	30 Å²	30	72.3 Å²	72.3	21%	0.21	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-10.4	176.3	60.1	0	0	0	0	114.5	M1015 T1016 W1017 A1048 S1052	M1015-S1050 WeakPolarHBondContact O-CB 3.46Å; M1015-S1050 PolarHBondContact O-OG 3.32Å; T1016-S1050 WeakPolarHBondContact CA-O 3Å; W1017-S1050 PolarHBondContact N-O 3.25Å; A1048-S1050 PolarHBondContact O-N 3.03Å; S1050-S1052 PolarHBondContact O-N 2.85Å
1051	W	80.9	Confident	75.9	Confident	23 Å²	23	70 Å²	70	9%	0.087	38%	0.384	C	S	.	.			trans	-84.9	19.6	-177.2	-59.8	-7.8	0	0	0	113.6	L1012 L1013 M1020 L1036 Y1039 G1044 A1045 A1048 I1053	L1012-W1051 HydrophobicContact CD2-CH2 4.15Å; L1012-W1051 HydrophobicContact CD2-CZ2 4.01Å; L1012-W1051 HydrophobicContact CG-CH2 4.41Å; L1012-W1051 HydrophobicContact CG-CZ2 3.77Å; L1012-W1051 PolarHBondContact O-NE1 3.19Å; L1013-W1051 HydrophobicContact CD2-CH2 3.88Å; L1013-W1051 HydrophobicContact CD2-CZ2 3.74Å; L1013-W1051 HydrophobicContact CG-CZ2 4.46Å; M1020-W1051 HydrophobicContact CE-CG 4.46Å; M1020-W1051 HydrophobicContact CE-CZ2 4.32Å; L1036-W1051 HydrophobicContact CB-CD2 4.42Å; L1036-W1051 HydrophobicContact CB-CE3 3.72Å; L1036-W1051 HydrophobicContact CB-CZ3 3.95Å; L1036-W1051 HydrophobicContact CD1-CD2 4.34Å; L1036-W1051 HydrophobicContact CD1-CE3 4.44Å; L1036-W1051 HydrophobicContact CD1-CG 4.38Å; L1036-W1051 HydrophobicContact CD2-CD2 3.96Å; L1036-W1051 HydrophobicContact CD2-CE3 3.84Å; L1036-W1051 HydrophobicContact CD2-CH2 3.88Å; L1036-W1051 HydrophobicContact CD2-CZ2 4.01Å; L1036-W1051 HydrophobicContact CD2-CZ3 3.79Å; L1036-W1051 HydrophobicContact CG-CD2 4.47Å; L1036-W1051 HydrophobicContact CG-CE3 4.2Å; L1036-W1051 HydrophobicContact CG-CZ3 4.44Å; L1036-W1051 WeakPolarHBondContact O-CZ3 3.3Å; Y1039-W1051 HydrophobicContact CD1-CH2 4.27Å; Y1039-W1051 HydrophobicContact CG-CH2 4.35Å; G1044-W1051 VanDerWaalsContact C-CZ3 3.46Å; A1045-W1051 HydrophobicContact CB-CE3 4.42Å; A1048-W1051 HydrophobicContact CB-CD2 3.31Å; A1048-W1051 HydrophobicContact CB-CE3 3.68Å; A1048-W1051 HydrophobicContact CB-CG 3.73Å; A1048-W1051 HydrophobicContact CB-CH2 4.14Å; A1048-W1051 HydrophobicContact CB-CZ2 3.78Å; A1048-W1051 HydrophobicContact CB-CZ3 4.09Å; A1048-W1051 PolarHBondContact O-N 2.82Å; W1051-I1053 PolarHBondContact O-N 2.96Å
1052	S	77.5	Confident	75.9	Confident	89 Å²	89	70.6 Å²	70.6	62%	0.622	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-62.4	123.6	174	57.6	0	0	0	0	111.6	W1017 S1050	W1017-S1052 VanDerWaalsContact CB-O 3.24Å; W1017-S1052 WeakPolarHBondContact CB-O 3.31Å; S1050-S1052 PolarHBondContact O-N 2.85Å
1053	I	80	Confident	76	Confident	68 Å²	68	74.4 Å²	74.4	35%	0.349	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-59.4	137.6	178.6	-58.7	150.5	0	0	0	110.7	W1017 W1051 D1057 V1061	W1017-I1053 HydrophobicContact CD2-CG1 4.47Å; W1017-I1053 HydrophobicContact CE3-CG1 4.23Å; W1017-I1053 HydrophobicContact CH2-CG1 4.26Å; W1017-I1053 HydrophobicContact CZ2-CG1 4.48Å; W1017-I1053 HydrophobicContact CZ2-CG2 4.33Å; W1017-I1053 HydrophobicContact CZ3-CG1 4.12Å; W1051-I1053 PolarHBondContact O-N 2.96Å; I1053-D1057 HydrophobicContact CG2-CB 4.19Å; I1053-V1061 HydrophobicContact CD1-CG1 3.61Å; I1053-V1061 HydrophobicContact CG1-CG1 4.09Å; I1053-V1061 HydrophobicContact CG2-CB 4.3Å; I1053-V1061 HydrophobicContact CG2-CG1 4.33Å; I1053-V1061 HydrophobicContact CG2-CG2 3.94Å
1054	D	80.2	Confident	76.4	Confident	34 Å²	34	72.6 Å²	72.6	18%	0.182	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-77.3	145	174.1	-169.2	-14.9	0	0	0	111	N1018 K1056 D1057 A1058	N1018-D1054 PolarHBondContact ND2-OD2 3.16Å; N1018-D1054 WeakPolarHBondContact OD1-CB 3.18Å; N1018-D1054 PolarHBondContact OD1-OD2 2.99Å; D1054-K1056 PolarHBondContact O-N 3.49Å; D1054-K1056 IonicContact OD1-NZ 3.7Å; D1054-K1056 IonicContact OD2-NZ 2.59Å; D1054-K1056 PolarHBondContact OD2-NZ 2.78Å; D1054-D1057 PolarHBondContact O-N 3.42Å; D1054-A1058 PolarHBondContact O-N 3.48Å
1055	E	76.8	Confident	76.5	Confident	183 Å²	183	73.6 Å²	73.6	86%	0.855	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-28.3	179.5	-64.4	-175.2	160.8	0	0	112.8	D1057	E1055-D1057 VanDerWaalsContact C-N 3.31Å; E1055-D1057 PolarHBondContact O-N 3.26Å
1056	K	79.1	Confident	76.7	Confident	157 Å²	157	72.7 Å²	72.7	68%	0.683	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-33.8	176.5	-52	-170.4	-159.9	78.8	0	113.4	D1054	D1054-K1056 PolarHBondContact O-N 3.49Å; D1054-K1056 IonicContact OD1-NZ 3.7Å; D1054-K1056 IonicContact OD2-NZ 2.59Å; D1054-K1056 PolarHBondContact OD2-NZ 2.78Å
1057	D	81	Confident	77	Confident	21 Å²	21	70.7 Å²	70.7	11%	0.112	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-19	-174.3	-71.4	-41.9	0	0	0	112.4	W1017 R1021 P1029 I1053 D1054 E1055 A1059 V1060 V1061	W1017-D1057 HydrophobicContact CZ2-CB 4.3Å; W1017-D1057 PolarHBondContact NE1-OD2 3.44Å; R1021-D1057 IonicContact CZ-OD1 2.71Å; R1021-D1057 IonicContact CZ-OD2 2.82Å; R1021-D1057 IonicContact NH1-OD1 2.76Å; R1021-D1057 PolarHBondContact NH1-OD1 3.3Å; R1021-D1057 IonicContact NH1-OD2 3.21Å; R1021-D1057 PolarHBondContact NH1-OD2 2.92Å; P1029-D1057 HydrophobicContact CB-CB 4.34Å; I1053-D1057 HydrophobicContact CG2-CB 4.19Å; D1054-D1057 PolarHBondContact O-N 3.42Å; E1055-D1057 VanDerWaalsContact C-N 3.31Å; E1055-D1057 PolarHBondContact O-N 3.26Å; D1057-A1059 PolarHBondContact O-N 3.41Å; D1057-V1060 PolarHBondContact O-N 3.23Å; D1057-V1061 HydrophobicContact CB-CG2 3.85Å; D1057-V1061 VanDerWaalsContact O-CG2 3.28Å; D1057-V1061 WeakPolarHBondContact O-CG2 3.14Å; D1057-V1061 PolarHBondContact O-N 3.21Å
1058	A	78	Confident	77.2	Confident	48 Å²	48	67.3 Å²	67.3	40%	0.397	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-32.5	-175.1	0	0	0	0	0	114.3	D1054	D1054-A1058 PolarHBondContact O-N 3.48Å
1059	A	75.9	Confident	77.2	Confident	85 Å²	85	67.2 Å²	67.2	70%	0.702	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-17.3	177.3	0	0	0	0	0	115	D1057	D1057-A1059 PolarHBondContact O-N 3.41Å
1060	V	78.5	Confident	77.5	Confident	47 Å²	47	62.4 Å²	62.4	29%	0.285	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-15.6	-176.2	-170.7	0	0	0	0	111.3	P1029 D1057 D1062 E1063	P1029-V1060 HydrophobicContact CB-CB 4.32Å; P1029-V1060 HydrophobicContact CB-CG1 4.26Å; P1029-V1060 HydrophobicContact CG-CB 4.07Å; P1029-V1060 HydrophobicContact CG-CG1 3.75Å; D1057-V1060 PolarHBondContact O-N 3.23Å; V1060-D1062 VanDerWaalsContact C-N 3.31Å; V1060-E1063 PolarHBondContact O-N 3.44Å
1061	V	77.5	Confident	77.4	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.018	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-12.6	-179.7	169.8	0	0	0	0	113.1	W1017 P1029 R1033 I1053 D1057	W1017-V1061 HydrophobicContact CH2-CG2 3.96Å; W1017-V1061 HydrophobicContact CZ2-CG2 3.69Å; P1029-V1061 HydrophobicContact CB-CG2 3.38Å; R1033-V1061 HydrophobicContact CB-CG1 3.71Å; R1033-V1061 HydrophobicContact CG-CG1 3.6Å; R1033-V1061 PolarHBondContact NH1-O 3.29Å; I1053-V1061 HydrophobicContact CD1-CG1 3.61Å; I1053-V1061 HydrophobicContact CG1-CG1 4.09Å; I1053-V1061 HydrophobicContact CG2-CB 4.3Å; I1053-V1061 HydrophobicContact CG2-CG1 4.33Å; I1053-V1061 HydrophobicContact CG2-CG2 3.94Å; D1057-V1061 HydrophobicContact CB-CG2 3.85Å; D1057-V1061 VanDerWaalsContact O-CG2 3.28Å; D1057-V1061 WeakPolarHBondContact O-CG2 3.14Å; D1057-V1061 PolarHBondContact O-N 3.21Å
1062	D	76.4	Confident	76.8	Confident	128 Å²	128	66 Å²	66	68%	0.684	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	3.7	171.7	-69.6	-25.8	0	0	0	113.3	R1033 V1060	R1033-D1062 IonicContact CZ-OD1 3.65Å; R1033-D1062 IonicContact NH1-OD1 3.33Å; R1033-D1062 PolarHBondContact NH1-OD1 2.84Å; R1033-D1062 IonicContact NH2-OD1 2.82Å; V1060-D1062 VanDerWaalsContact C-N 3.31Å
1063	E	78.6	Confident	76.3	Confident	92 Å²	92	61.9 Å²	61.9	43%	0.43	34%	0.336	S	S	.	.	S	Bend	trans	-77	152.9	171.5	-63.7	-177.7	170.2	0	0	111.3	A1030 V1060 L1068	A1030-E1063 WeakPolarHBondContact CB-O 3.4Å; V1060-E1063 PolarHBondContact O-N 3.44Å; E1063-L1068 HydrophobicContact CB-CD1 3.97Å; E1063-L1068 HydrophobicContact CB-CG 4.47Å; E1063-L1068 WeakPolarHBondContact OE2-CD2 3.45Å
1064	D	78.5	Confident	75.7	Confident	76 Å²	76	63.6 Å²	63.6	41%	0.406	34%	0.342	S	S	.	.			trans	-68.1	123.5	176.3	-168.5	-39.2	0	0	0	110	T1066 D1067 L1068	D1064-T1066 PolarHBondContact O-N 3.06Å; D1064-T1066 VanDerWaalsContact O-N 3.14Å; D1064-T1066 WeakPolarHBondContact OD1-CA 3.3Å; D1064-T1066 WeakPolarHBondContact OD1-CB 3.48Å; D1064-T1066 PolarHBondContact OD1-N 3.38Å; D1064-T1066 PolarHBondContact OD1-OG1 2.63Å; D1064-D1067 HydrophobicContact CB-CB 4.27Å; D1064-D1067 PolarHBondContact O-N 2.91Å; D1064-D1067 VanDerWaalsContact O-N 3.17Å; D1064-L1068 PolarHBondContact O-N 3.41Å
1065	P	77.3	Confident	75	Confident	21 Å²	21	63.3 Å²	63.3	14%	0.136	35%	0.346	C	S	.	.	H	α-helix	trans	-58.9	-26.3	177.4	25.1	-34.9	0	0	0	112.7	L957 A1030 L1031 I1069	L957-P1065 HydrophobicContact CD1-CB 4.33Å; L957-P1065 HydrophobicContact CD1-CG 4.31Å; L957-P1065 HydrophobicContact CD2-CB 4.37Å; L957-P1065 HydrophobicContact CD2-CG 4.15Å; A1030-P1065 HydrophobicContact CB-CB 4.47Å; L1031-P1065 HydrophobicContact CB-CB 4.14Å; L1031-P1065 HydrophobicContact CD1-CB 4.24Å; P1065-I1069 WeakPolarHBondContact O-CB 3.18Å; P1065-I1069 WeakPolarHBondContact O-CD1 3.32Å; P1065-I1069 VanDerWaalsContact O-CG1 3.25Å; P1065-I1069 WeakPolarHBondContact O-CG1 3.38Å; P1065-I1069 PolarHBondContact O-N 3.25Å
1066	T	76.3	Confident	74.3	Confident	21 Å²	21	56.7 Å²	56.7	13%	0.129	31%	0.314	C	S	.	.	H	α-helix	trans	-68.1	-46.5	177	-38.9	0	0	0	0	111.6	F958 D1064 L1068 I1069 E1070	F958-T1066 HydrophobicContact CE2-CG2 3.81Å; F958-T1066 WeakPolarHBondContact CE2-OG1 3.3Å; F958-T1066 HydrophobicContact CZ-CG2 4.29Å; F958-T1066 WeakPolarHBondContact CZ-OG1 3.1Å; D1064-T1066 PolarHBondContact O-N 3.06Å; D1064-T1066 VanDerWaalsContact O-N 3.14Å; D1064-T1066 WeakPolarHBondContact OD1-CA 3.3Å; D1064-T1066 WeakPolarHBondContact OD1-CB 3.48Å; D1064-T1066 PolarHBondContact OD1-N 3.38Å; D1064-T1066 PolarHBondContact OD1-OG1 2.63Å; T1066-L1068 VanDerWaalsContact C-N 3.33Å; T1066-L1068 PolarHBondContact O-N 3.13Å; T1066-I1069 PolarHBondContact O-N 3.28Å; T1066-E1070 WeakPolarHBondContact O-CB 3.43Å; T1066-E1070 PolarHBondContact O-N 3.42Å
1067	D	77.1	Confident	73.5	Confident	97 Å²	97	52.4 Å²	52.4	52%	0.519	29%	0.293	S	S	.	.	H	α-helix	trans	-62.9	-42.6	176.3	-82	-18.3	0	0	0	110.1	D1064 I1069 E1070 I1071	D1064-D1067 HydrophobicContact CB-CB 4.27Å; D1064-D1067 PolarHBondContact O-N 2.91Å; D1064-D1067 VanDerWaalsContact O-N 3.17Å; D1067-I1069 PolarHBondContact O-N 3.32Å; D1067-E1070 PolarHBondContact O-N 2.85Å; D1067-I1071 WeakPolarHBondContact O-CB 3.19Å; D1067-I1071 WeakPolarHBondContact O-CD1 3.46Å; D1067-I1071 WeakPolarHBondContact O-CG1 3.11Å; D1067-I1071 PolarHBondContact O-N 3.11Å
1068	L	73.4	Confident	72.5	Confident	27 Å²	27	54.3 Å²	54.3	14%	0.141	31%	0.308	C	S	.	.	H	α-helix	trans	-62.7	-41.4	175.7	-80.2	167.6	0	0	0	113.1	P1028 A1030 E1063 D1064 T1066 A1072	P1028-L1068 HydrophobicContact CB-CB 4.13Å; P1028-L1068 HydrophobicContact CB-CD1 3.95Å; P1028-L1068 HydrophobicContact CB-CG 4.45Å; P1028-L1068 HydrophobicContact CG-CB 4.37Å; A1030-L1068 HydrophobicContact CB-CD1 3.95Å; E1063-L1068 HydrophobicContact CB-CD1 3.97Å; E1063-L1068 HydrophobicContact CB-CG 4.47Å; E1063-L1068 WeakPolarHBondContact OE2-CD2 3.45Å; D1064-L1068 PolarHBondContact O-N 3.41Å; T1066-L1068 VanDerWaalsContact C-N 3.33Å; T1066-L1068 PolarHBondContact O-N 3.13Å; L1068-A1072 PolarHBondContact O-N 2.84Å
1069	I	74.1	Confident	71.6	Confident	4 Å²	4	59 Å²	59	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-64.7	-44.8	172.7	-75.4	160.6	0	0	0	110.4	Y950 L953 L957 L1031 P1065 T1066 D1067 I1071 A1072 L1073	Y950-I1069 HydrophobicContact CD2-CG2 3.79Å; Y950-I1069 HydrophobicContact CE2-CG2 4.22Å; L953-I1069 HydrophobicContact CB-CD1 3.99Å; L953-I1069 HydrophobicContact CD1-CD1 4.04Å; L953-I1069 HydrophobicContact CD1-CG1 4.14Å; L953-I1069 HydrophobicContact CD1-CG2 4.32Å; L953-I1069 HydrophobicContact CG-CD1 4.49Å; L957-I1069 HydrophobicContact CD1-CD1 3.77Å; L1031-I1069 HydrophobicContact CD1-CD1 4.05Å; L1031-I1069 HydrophobicContact CD2-CD1 3.97Å; L1031-I1069 HydrophobicContact CD2-CG1 4.2Å; P1065-I1069 WeakPolarHBondContact O-CB 3.18Å; P1065-I1069 WeakPolarHBondContact O-CD1 3.32Å; P1065-I1069 VanDerWaalsContact O-CG1 3.25Å; P1065-I1069 WeakPolarHBondContact O-CG1 3.38Å; P1065-I1069 PolarHBondContact O-N 3.25Å; T1066-I1069 PolarHBondContact O-N 3.28Å; D1067-I1069 PolarHBondContact O-N 3.32Å; I1069-I1071 VanDerWaalsContact C-N 3.35Å; I1069-I1071 PolarHBondContact O-N 3.18Å; I1069-A1072 PolarHBondContact O-N 2.81Å; I1069-L1073 HydrophobicContact CG2-CD1 3.56Å; I1069-L1073 HydrophobicContact CG2-CG 4.36Å; I1069-L1073 WeakPolarHBondContact O-CB 2.78Å; I1069-L1073 WeakPolarHBondContact O-CD1 3.29Å; I1069-L1073 WeakPolarHBondContact O-CG 3.39Å; I1069-L1073 PolarHBondContact O-N 3.02Å
1070	E	75.1	Confident	71	Confident	56 Å²	56	56 Å²	56	26%	0.262	29%	0.291	S	S	.	.	H	α-helix	trans	-67.5	-35.6	-179.2	-147	-138.9	158.2	0	0	111.9	T1066 D1067 L1073 K1074	T1066-E1070 WeakPolarHBondContact O-CB 3.43Å; T1066-E1070 PolarHBondContact O-N 3.42Å; D1067-E1070 PolarHBondContact O-N 2.85Å; E1070-L1073 PolarHBondContact O-N 3.3Å; E1070-K1074 HydrophobicContact CG-CD 4.47Å; E1070-K1074 WeakPolarHBondContact O-CB 3.37Å; E1070-K1074 WeakPolarHBondContact O-CD 3.14Å; E1070-K1074 WeakPolarHBondContact O-CG 3.15Å; E1070-K1074 PolarHBondContact O-N 3.28Å; E1070-K1074 WeakPolarHBondContact OE1-CE 3.12Å; E1070-K1074 IonicContact OE1-NZ 2.73Å; E1070-K1074 PolarHBondContact OE1-NZ 3.2Å; E1070-K1074 WeakPolarHBondContact OE2-CE 3.49Å; E1070-K1074 IonicContact OE2-NZ 2.86Å; E1070-K1074 PolarHBondContact OE2-NZ 3.1Å
1071	I	72.7	Confident	70.3	Confident	103 Å²	103	60.8 Å²	60.8	53%	0.528	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-46.9	171.1	-73.1	163.1	0	0	0	110.5	D1067 I1069 L1073 K1074 G1075	D1067-I1071 WeakPolarHBondContact O-CB 3.19Å; D1067-I1071 WeakPolarHBondContact O-CD1 3.46Å; D1067-I1071 WeakPolarHBondContact O-CG1 3.11Å; D1067-I1071 PolarHBondContact O-N 3.11Å; I1069-I1071 VanDerWaalsContact C-N 3.35Å; I1069-I1071 PolarHBondContact O-N 3.18Å; I1071-L1073 VanDerWaalsContact C-N 3.32Å; I1071-L1073 PolarHBondContact O-N 2.8Å; I1071-K1074 PolarHBondContact O-N 2.8Å; I1071-G1075 PolarHBondContact O-N 3.12Å
1072	A	68.8	Low	69.3	Low	26 Å²	26	60.7 Å²	60.7	22%	0.215	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-42.8	176.5	0	0	0	0	0	111.8	I997 L1068 I1069 G1075 W1076	I997-A1072 HydrophobicContact CD1-CB 3.81Å; L1068-A1072 PolarHBondContact O-N 2.84Å; I1069-A1072 PolarHBondContact O-N 2.81Å; A1072-G1075 PolarHBondContact O-N 3.28Å; A1072-W1076 PolarHBondContact O-N 3.29Å; A1072-W1076 VanDerWaalsContact O-N 3.11Å
1073	L	66.4	Low	68.3	Low	2 Å²	2	57.4 Å²	57.4	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-69.9	-41.4	177.9	-68.3	162.8	0	0	0	112.8	A946 Y950 I1069 E1070 I1071 G1075 W1076 R1077	A946-L1073 HydrophobicContact CB-CD2 3.77Å; A946-L1073 WeakPolarHBondContact O-CD2 3.16Å; Y950-L1073 HydrophobicContact CD2-CD1 3.17Å; Y950-L1073 HydrophobicContact CE2-CD1 4Å; Y950-L1073 HydrophobicContact CG-CD1 3.57Å; I1069-L1073 HydrophobicContact CG2-CD1 3.56Å; I1069-L1073 HydrophobicContact CG2-CG 4.36Å; I1069-L1073 WeakPolarHBondContact O-CB 2.78Å; I1069-L1073 WeakPolarHBondContact O-CD1 3.29Å; I1069-L1073 WeakPolarHBondContact O-CG 3.39Å; I1069-L1073 PolarHBondContact O-N 3.02Å; E1070-L1073 PolarHBondContact O-N 3.3Å; I1071-L1073 VanDerWaalsContact C-N 3.32Å; I1071-L1073 PolarHBondContact O-N 2.8Å; L1073-G1075 VanDerWaalsContact C-N 3.25Å; L1073-G1075 PolarHBondContact O-N 3.08Å; L1073-W1076 HydrophobicContact CD2-CE3 3.76Å; L1073-W1076 HydrophobicContact CD2-CZ3 3.7Å; L1073-W1076 PolarHBondContact O-N 3.34Å; L1073-W1076 VanDerWaalsContact O-N 3.13Å; L1073-R1077 WeakPolarHBondContact O-CB 3.13Å; L1073-R1077 VanDerWaalsContact O-CG 3.3Å; L1073-R1077 WeakPolarHBondContact O-CG 3.11Å; L1073-R1077 PolarHBondContact O-N 2.98Å
1074	K	67.8	Low	66.8	Low	105 Å²	105	56.3 Å²	56.3	46%	0.457	29%	0.286	S	S	.	.	H	α-helix	trans	-57.4	-40.7	169.3	-80.6	163.1	163.9	160.2	0	110.2	E1070 I1071 W1076 R1077 S1078	E1070-K1074 HydrophobicContact CG-CD 4.47Å; E1070-K1074 WeakPolarHBondContact O-CB 3.37Å; E1070-K1074 WeakPolarHBondContact O-CD 3.14Å; E1070-K1074 WeakPolarHBondContact O-CG 3.15Å; E1070-K1074 PolarHBondContact O-N 3.28Å; E1070-K1074 WeakPolarHBondContact OE1-CE 3.12Å; E1070-K1074 IonicContact OE1-NZ 2.73Å; E1070-K1074 PolarHBondContact OE1-NZ 3.2Å; E1070-K1074 WeakPolarHBondContact OE2-CE 3.49Å; E1070-K1074 IonicContact OE2-NZ 2.86Å; E1070-K1074 PolarHBondContact OE2-NZ 3.1Å; I1071-K1074 PolarHBondContact O-N 2.8Å; K1074-W1076 VanDerWaalsContact C-N 3.3Å; K1074-W1076 PolarHBondContact O-N 3.48Å; K1074-R1077 PolarHBondContact O-N 3.5Å; K1074-S1078 WeakPolarHBondContact O-CB 3.4Å; K1074-S1078 PolarHBondContact O-N 3.43Å; K1074-S1078 PolarHBondContact O-OG 3.15Å
1075	G	65.9	Low	65.3	Low	27 Å²	27	56 Å²	56	28%	0.278	30%	0.301	S	S	.	.	H	α-helix	trans	-64.9	-24.5	174.6	0	0	0	0	0	115	I1071 A1072 L1073 S1078 K1079	I1071-G1075 PolarHBondContact O-N 3.12Å; A1072-G1075 PolarHBondContact O-N 3.28Å; L1073-G1075 VanDerWaalsContact C-N 3.25Å; L1073-G1075 PolarHBondContact O-N 3.08Å; G1075-S1078 PolarHBondContact O-OG 3.07Å; G1075-K1079 WeakPolarHBondContact O-CD 3.5Å; G1075-K1079 WeakPolarHBondContact O-CG 3.48Å
1076	W	61.6	Low	63.6	Low	45 Å²	45	63.8 Å²	63.8	17%	0.17	33%	0.333	C	S	.	.	H	α-helix	trans	-86.8	-48.9	170.6	-59.1	-20.9	0	0	0	111.8	A946 P994 I997 A1072 L1073 K1074 S1078 K1079 E1080	A946-W1076 HydrophobicContact CB-CE3 4.07Å; P994-W1076 HydrophobicContact CB-CD2 4.34Å; P994-W1076 HydrophobicContact CB-CE3 3.57Å; P994-W1076 HydrophobicContact CB-CH2 4.45Å; P994-W1076 HydrophobicContact CB-CZ3 3.66Å; P994-W1076 HydrophobicContact CG-CE3 4.2Å; P994-W1076 VanDerWaalsContact O-CH2 3.27Å; P994-W1076 WeakPolarHBondContact O-CH2 3.38Å; P994-W1076 WeakPolarHBondContact O-CZ3 3.2Å; I997-W1076 HydrophobicContact CD1-CH2 3.63Å; I997-W1076 HydrophobicContact CD1-CZ2 3.8Å; I997-W1076 HydrophobicContact CG1-CH2 3.89Å; I997-W1076 HydrophobicContact CG1-CZ2 4.08Å; A1072-W1076 PolarHBondContact O-N 3.29Å; A1072-W1076 VanDerWaalsContact O-N 3.11Å; L1073-W1076 HydrophobicContact CD2-CE3 3.76Å; L1073-W1076 HydrophobicContact CD2-CZ3 3.7Å; L1073-W1076 PolarHBondContact O-N 3.34Å; L1073-W1076 VanDerWaalsContact O-N 3.13Å; K1074-W1076 VanDerWaalsContact C-N 3.3Å; K1074-W1076 PolarHBondContact O-N 3.48Å; W1076-S1078 VanDerWaalsContact C-N 3.31Å; W1076-S1078 PolarHBondContact O-N 3.16Å; W1076-K1079 PolarHBondContact O-N 3.49Å; W1076-E1080 WeakPolarHBondContact O-CG 3.37Å
1077	R	63.6	Low	61.6	Low	67 Å²	67	65.8 Å²	65.8	25%	0.253	35%	0.345	S	S	.	.	H	α-helix	trans	-58.1	-39.2	179.1	-68	170.6	-175	139.8	-1.5	112.4	N947 L1073 K1074 E1080	N947-R1077 PolarHBondContact OD1-NH2 3.36Å; L1073-R1077 WeakPolarHBondContact O-CB 3.13Å; L1073-R1077 VanDerWaalsContact O-CG 3.3Å; L1073-R1077 WeakPolarHBondContact O-CG 3.11Å; L1073-R1077 PolarHBondContact O-N 2.98Å; K1074-R1077 PolarHBondContact O-N 3.5Å; R1077-E1080 CarbonylContact O-C 3.51Å; R1077-E1080 PolarHBondContact O-N 3.13Å
1078	S	58.2	Low	59.6	Low	60 Å²	60	68.4 Å²	68.4	42%	0.42	35%	0.354	S	S	.	.	H	α-helix	trans	-65.4	-41.3	178.7	53.5	0	0	0	0	113.6	K1074 G1075 W1076 E1080	K1074-S1078 WeakPolarHBondContact O-CB 3.4Å; K1074-S1078 PolarHBondContact O-N 3.43Å; K1074-S1078 PolarHBondContact O-OG 3.15Å; G1075-S1078 PolarHBondContact O-OG 3.07Å; W1076-S1078 VanDerWaalsContact C-N 3.31Å; W1076-S1078 PolarHBondContact O-N 3.16Å; S1078-E1080 PolarHBondContact O-N 3.36Å; S1078-E1080 VanDerWaalsContact O-N 3.13Å
1079	K	60.7	Low	58	Low	148 Å²	148	72.9 Å²	72.9	64%	0.643	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-5.2	177.8	-66.2	-177.8	-179	-172	0	113.1	G1075 W1076	G1075-K1079 WeakPolarHBondContact O-CD 3.5Å; G1075-K1079 WeakPolarHBondContact O-CG 3.48Å; W1076-K1079 PolarHBondContact O-N 3.49Å
1080	E	62.7	Low	56.2	Low	22 Å²	22	78.4 Å²	78.4	10%	0.103	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	28.8	-169.4	-61.1	-173.7	166.8	0	0	112.7	I939 R942 R943 W1076 R1077 S1078	I939-E1080 HydrophobicContact CG1-CB 4.38Å; I939-E1080 WeakPolarHBondContact CG2-O 3.45Å; R942-E1080 WeakPolarHBondContact CB-OE2 3.48Å; R942-E1080 WeakPolarHBondContact CD-OE1 3.36Å; R942-E1080 VanDerWaalsContact CD-OE2 3.32Å; R942-E1080 WeakPolarHBondContact CD-OE2 3.47Å; R942-E1080 IonicContact CZ-OE1 2.86Å; R942-E1080 IonicContact NE-OE1 2.71Å; R942-E1080 IonicContact NH1-OE1 2.64Å; R942-E1080 PolarHBondContact NH1-OE1 2.71Å; R943-E1080 PolarHBondContact NH2-O 3.04Å; W1076-E1080 WeakPolarHBondContact O-CG 3.37Å; R1077-E1080 CarbonylContact O-C 3.51Å; R1077-E1080 PolarHBondContact O-N 3.13Å; S1078-E1080 PolarHBondContact O-N 3.36Å; S1078-E1080 VanDerWaalsContact O-N 3.13Å
1081	R	62.8	Low	54.3	Low	147 Å²	147	81.9 Å²	81.9	56%	0.555	43%	0.428	S	S	*	.			trans	-66.9	154.8	162.8	-67.8	-177.1	176.8	-173.2	-0.1	111.2	R935	R935-R1081 PolarHBondContact NH2-O 3.15Å
1082	L	57.9	Low	52.6	Low	1 Å²	1	78.4 Å²	78.4	1%	0.005	41%	0.413	C	S	.	.	S	Bend	trans	-73.1	-37	172.9	-67.5	174.8	0	0	0	111.6	Y651 Y730 A733 D734 I737 I939 P1084	Y651-L1082 HydrophobicContact CD2-CB 3.89Å; Y651-L1082 HydrophobicContact CD2-CD1 4.1Å; Y651-L1082 HydrophobicContact CD2-CD2 3.54Å; Y651-L1082 HydrophobicContact CD2-CG 4.06Å; Y651-L1082 HydrophobicContact CE2-CB 3.88Å; Y651-L1082 HydrophobicContact CE2-CD2 3.63Å; Y651-L1082 HydrophobicContact CE2-CG 4.28Å; Y651-L1082 HydrophobicContact CG-CD2 4.3Å; Y730-L1082 HydrophobicContact CD1-CB 4.08Å; A733-L1082 VanDerWaalsContact C-CD1 3.46Å; A733-L1082 HydrophobicContact CB-CD1 3.4Å; D734-L1082 HydrophobicContact CB-CD1 3.98Å; I737-L1082 HydrophobicContact CD1-CD1 3.88Å; I737-L1082 HydrophobicContact CD1-CD2 3.96Å; I737-L1082 HydrophobicContact CD1-CG 4.21Å; I939-L1082 HydrophobicContact CD1-CD2 3.43Å; I939-L1082 VanDerWaalsContact CD1-CD2 3.43Å; I939-L1082 HydrophobicContact CD1-CG 4.23Å; L1082-P1084 WeakPolarHBondContact O-CD 3.43Å
1083	L	54.9	Low	51.2	Low	59 Å²	59	78.4 Å²	78.4	31%	0.309	41%	0.411	S	S	.	.	S	Bend	trans	-71.8	121	166.5	-81.4	157.9	0	0	0	110.1	Y730 G1085	Y730-L1083 HydrophobicContact CD2-CD2 3.41Å; Y730-L1083 VanDerWaalsContact CD2-CD2 3.41Å; Y730-L1083 HydrophobicContact CD2-CG 3.94Å; Y730-L1083 HydrophobicContact CE2-CD2 4.08Å; Y730-L1083 HydrophobicContact CG-CD2 3.87Å; Y730-L1083 HydrophobicContact CG-CG 3.85Å; L1083-G1085 PolarHBondContact O-N 3.02Å
1084	P	47.5	Very low	50.3	Low	68 Å²	68	82.6 Å²	82.6	44%	0.442	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-65.7	130.4	166.7	-17.2	31.8	0	0	0	110.2	L1082 K1086 T1087	L1082-P1084 WeakPolarHBondContact O-CD 3.43Å; P1084-K1086 PolarHBondContact O-N 3.12Å; P1084-T1087 HydrophobicContact CB-CG2 4.27Å
1085	G	45.9	Very low	49.4	Very low	71 Å²	71	80.1 Å²	80.1	73%	0.732	42%	0.421	S	S	*	.	S	Bend	trans	-66.5	127.2	173.7	0	0	0	0	0	111.7	L1083 T1087	L1083-G1085 PolarHBondContact O-N 3.02Å; G1085-T1087 PolarHBondContact O-N 2.9Å
1086	K	41.2	Very low	48.5	Very low	183 Å²	183	82.8 Å²	82.8	80%	0.796	42%	0.424	S	S	*	.	S	Bend	trans	31.4	39.4	169.1	-66.5	179.7	-176.6	158.4	0	117.7	P1084	P1084-K1086 PolarHBondContact O-N 3.12Å
1087	T	34.4	Very low	47.7	Very low	64 Å²	64	81.4 Å²	81.4	39%	0.393	42%	0.422	S	S	.	.			trans	-70.1	137.8	167.7	49.9	0	0	0	0	109.8	P1084 G1085 T1089	P1084-T1087 HydrophobicContact CB-CG2 4.27Å; G1085-T1087 PolarHBondContact O-N 2.9Å; T1087-T1089 PolarHBondContact O-N 3.2Å
1088	H	36.2	Very low	46.7	Very low	152 Å²	152	80.8 Å²	80.8	70%	0.704	42%	0.422	S	S	*	.			trans	-49	129.7	179.9	-56.6	-69.5	0	0	0	111.9	N1090 Q1091	H1088-N1090 PolarHBondContact O-N 2.87Å; H1088-Q1091 PolarHBondContact O-N 3.02Å; H1088-Q1091 VanDerWaalsContact O-N 3.16Å
1089	T	39.8	Very low	45.8	Very low	120 Å²	120	83 Å²	83	74%	0.736	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-6.1	-167	55.6	0	0	0	0	116.8	T1087	T1087-T1089 PolarHBondContact O-N 3.2Å
1090	N	36.4	Very low	44.4	Very low	121 Å²	121	78 Å²	78	65%	0.647	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-5.3	-171.3	-58.1	-13.3	0	0	0	113.1	N660 H1088	N660-N1090 PolarHBondContact ND2-O 3.4Å; H1088-N1090 PolarHBondContact O-N 2.87Å
1091	Q	35.4	Very low	43.2	Very low	129 Å²	129	82.6 Å²	82.6	60%	0.603	43%	0.429	S	S	*	.	S	Bend	trans	-81.7	134.2	175	-67.9	-171.9	-4.5	0	0	111.2	H1088	H1088-Q1091 PolarHBondContact O-N 3.02Å; H1088-Q1091 VanDerWaalsContact O-N 3.16Å
1092	S	35.5	Very low	42	Very low	30 Å²	30	76.7 Å²	76.7	21%	0.21	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-70.4	148.7	175.6	69.1	0	0	0	0	111.9	H664 I1094	H664-S1092 VanDerWaalsContact CD2-CB 3.46Å; H664-S1092 WeakPolarHBondContact CD2-CB 3.28Å; H664-S1092 PolarHBondContact CD2-OG 3.21Å; H664-S1092 VanDerWaalsContact CD2-OG 3.28Å; H664-S1092 PolarHBondContact NE2-OG 3.2Å; H664-S1092 VanDerWaalsContact NE2-OG 3.14Å; S1092-I1094 PolarHBondContact O-N 3.14Å
1093	P	41.2	Very low	40.9	Very low	26 Å²	26	77.6 Å²	77.6	17%	0.169	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-59.8	134.9	176	24.4	-34.8	0	0	0	112.6	T655 T658 W661 Y1095	T655-P1093 HydrophobicContact CG2-CB 4.09Å; T655-P1093 HydrophobicContact CG2-CG 4.01Å; T658-P1093 HydrophobicContact CG2-CG 4.22Å; W661-P1093 HydrophobicContact CE3-CG 3.53Å; W661-P1093 HydrophobicContact CZ3-CG 3.59Å; P1093-Y1095 VanDerWaalsContact C-N 3.28Å; P1093-Y1095 PolarHBondContact O-N 2.75Å
1094	I	47.1	Very low	39.9	Very low	89 Å²	89	76 Å²	76	46%	0.456	41%	0.413	S	S	.	.	S	Bend	trans	-69.5	-26.7	-176.2	-65.3	169.6	0	0	0	112.3	M875 S1092	M875-I1094 HydrophobicContact CB-CD1 4.24Å; M875-I1094 WeakPolarHBondContact O-CD1 3.25Å; S1092-I1094 PolarHBondContact O-N 3.14Å
1095	Y	47.4	Very low	39.3	Very low	53 Å²	53	76.9 Å²	76.9	21%	0.208	41%	0.412	C	S	.	.			trans	-103.5	141.2	-178.8	-59.8	-84.1	0	0	0	110.2	N930 S931 R935 P1093	N930-Y1095 HydrophobicContact CB-CD1 3.65Å; N930-Y1095 HydrophobicContact CB-CE1 3.87Å; N930-Y1095 VanDerWaalsContact O-CA 3.25Å; N930-Y1095 WeakPolarHBondContact O-CA 3.25Å; S931-Y1095 WeakPolarHBondContact O-CD1 3.49Å; R935-Y1095 HydrophobicContact CB-CD1 3.65Å; R935-Y1095 HydrophobicContact CB-CD2 4.28Å; R935-Y1095 HydrophobicContact CB-CE1 3.75Å; R935-Y1095 HydrophobicContact CB-CE2 4.35Å; R935-Y1095 HydrophobicContact CB-CG 3.95Å; R935-Y1095 HydrophobicContact CG-CD1 4.34Å; R935-Y1095 HydrophobicContact CG-CD2 4.08Å; R935-Y1095 HydrophobicContact CG-CE1 4.3Å; R935-Y1095 HydrophobicContact CG-CE2 4.02Å; R935-Y1095 HydrophobicContact CG-CG 4.25Å; P1093-Y1095 VanDerWaalsContact C-N 3.28Å; P1093-Y1095 PolarHBondContact O-N 2.75Å
1096	K	47.1	Very low	38.9	Very low	83 Å²	83	75.5 Å²	75.5	36%	0.361	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-128.1	141.5	177.7	-57.7	-157.3	175.2	-158.6	0	111.4	W661 N930 S931 T932	W661-K1096 HydrophobicContact CH2-CB 3.78Å; W661-K1096 HydrophobicContact CH2-CD 3.89Å; W661-K1096 HydrophobicContact CH2-CG 3.64Å; W661-K1096 HydrophobicContact CZ3-CD 4.3Å; W661-K1096 HydrophobicContact CZ3-CG 4Å; N930-K1096 PolarHBondContact O-N 3.25Å; S931-K1096 VanDerWaalsContact CA-O 3.28Å; S931-K1096 WeakPolarHBondContact CA-O 3.26Å; T932-K1096 PolarHBondContact N-O 3.08Å
1097	P	45.8	Very low	38.9	Very low	17 Å²	17	67.7 Å²	67.7	11%	0.11	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-68.1	159.8	177.4	31.4	-32.1	0	0	0	109.9	D652 Y656 W661 T932 D1099	D652-P1097 HydrophobicContact CB-CB 4.46Å; D652-P1097 WeakPolarHBondContact OD2-CB 3.34Å; Y656-P1097 HydrophobicContact CE1-CG 4.21Å; Y656-P1097 HydrophobicContact CE2-CB 4.45Å; Y656-P1097 HydrophobicContact CE2-CG 3.77Å; Y656-P1097 WeakPolarHBondContact OH-CG 3.49Å; W661-P1097 HydrophobicContact CH2-CG 4.36Å; W661-P1097 HydrophobicContact CZ2-CG 4.23Å; T932-P1097 HydrophobicContact CG2-CB 4.32Å; T932-P1097 WeakPolarHBondContact OG1-CA 3.33Å; P1097-D1099 PolarHBondContact O-N 3.4Å
1098	M	43.1	Very low	39	Very low	53 Å²	53	65.7 Å²	65.7	26%	0.261	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-64.1	133.7	176.1	-164.1	130.4	132.1	0	0	109.4	M933 G1102 L1103	M933-M1098 HydrophobicContact CE-SD 3.98Å; M933-M1098 HydrophobicContact SD-CB 4.07Å; M933-M1098 HydrophobicContact SD-SD 4.39Å; M1098-G1102 WeakPolarHBondContact CE-O 3.48Å; M1098-L1103 HydrophobicContact CE-CD2 3.85Å; M1098-L1103 HydrophobicContact CE-CG 3.99Å; M1098-L1103 HydrophobicContact CG-CG 4.26Å
1099	D	39.3	Very low	39.2	Very low	108 Å²	108	59.1 Å²	59.1	58%	0.578	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-52	127	167.2	-177.3	-33.1	0	0	0	107.8	P1097 Y1101 G1102	P1097-D1099 PolarHBondContact O-N 3.4Å; D1099-Y1101 PolarHBondContact O-N 3.12Å; D1099-Y1101 WeakPolarHBondContact OD1-CB 3.43Å; D1099-Y1101 PolarHBondContact OD1-N 2.71Å; D1099-Y1101 VanDerWaalsContact OD1-N 3.13Å; D1099-G1102 PolarHBondContact O-N 3.22Å
1100	P	31.2	Very low	39.5	Very low	42 Å²	42	57.7 Å²	57.7	27%	0.273	30%	0.3	S	S	.	.	H	α-helix	trans	-48.3	-35.1	-176.4	-31.1	35.8	0	0	0	113.8	G1102 L1103 C1104	P1100-G1102 VanDerWaalsContact C-N 3.27Å; P1100-G1102 PolarHBondContact O-N 3.16Å; P1100-L1103 PolarHBondContact O-N 2.94Å; P1100-C1104 PolarHBondContact O-SG 3.2Å; P1100-C1104 VanDerWaalsContact O-SG 3.42Å
1101	Y	37.3	Very low	40	Very low	118 Å²	118	54.6 Å²	54.6	46%	0.463	28%	0.284	S	S	.	.	H	α-helix	trans	-58	-34	176	169.1	-116.6	0	0	0	113.7	D1099 L1103 C1104 I1105 P1141	D1099-Y1101 PolarHBondContact O-N 3.12Å; D1099-Y1101 WeakPolarHBondContact OD1-CB 3.43Å; D1099-Y1101 PolarHBondContact OD1-N 2.71Å; D1099-Y1101 VanDerWaalsContact OD1-N 3.13Å; Y1101-L1103 VanDerWaalsContact C-N 3.29Å; Y1101-L1103 PolarHBondContact O-N 3.15Å; Y1101-C1104 PolarHBondContact O-N 2.75Å; Y1101-I1105 HydrophobicContact CD1-CD1 4.34Å; Y1101-I1105 HydrophobicContact CD2-CD1 4.38Å; Y1101-I1105 HydrophobicContact CE1-CD1 3.73Å; Y1101-I1105 HydrophobicContact CE2-CD1 3.75Å; Y1101-I1105 HydrophobicContact CE2-CG1 4Å; Y1101-I1105 WeakPolarHBondContact O-CG1 3.37Å; Y1101-I1105 WeakPolarHBondContact OH-CD1 3.2Å; Y1101-P1141 HydrophobicContact CE2-CB 3.58Å; Y1101-P1141 HydrophobicContact CE2-CG 3.76Å; Y1101-P1141 WeakPolarHBondContact OH-CB 3.27Å; Y1101-P1141 WeakPolarHBondContact OH-CG 3.29Å
1102	G	37.1	Very low	40.2	Very low	24 Å²	24	49.5 Å²	49.5	25%	0.247	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-29.1	-178.1	0	0	0	0	0	113.9	M1098 D1099 P1100	M1098-G1102 WeakPolarHBondContact CE-O 3.48Å; D1099-G1102 PolarHBondContact O-N 3.22Å; P1100-G1102 VanDerWaalsContact C-N 3.27Å; P1100-G1102 PolarHBondContact O-N 3.16Å
1103	L	34.7	Very low	40.5	Very low	20 Å²	20	48.7 Å²	48.7	11%	0.105	26%	0.255	C	S	.	.	H	α-helix	trans	-77.8	-37.3	179.8	-68.8	160.7	0	0	0	111.8	P554 M933 M1098 P1100 Y1101 I1105 Q1106 M1109	P554-L1103 HydrophobicContact CG-CD1 3.4Å; M933-L1103 HydrophobicContact CE-CD2 4.39Å; M1098-L1103 HydrophobicContact CE-CD2 3.85Å; M1098-L1103 HydrophobicContact CE-CG 3.99Å; M1098-L1103 HydrophobicContact CG-CG 4.26Å; P1100-L1103 PolarHBondContact O-N 2.94Å; Y1101-L1103 VanDerWaalsContact C-N 3.29Å; Y1101-L1103 PolarHBondContact O-N 3.15Å; L1103-I1105 PolarHBondContact O-N 3.3Å; L1103-Q1106 WeakPolarHBondContact O-CB 3.47Å; L1103-Q1106 PolarHBondContact O-N 3.13Å; L1103-Q1106 VanDerWaalsContact O-N 3.1Å; L1103-M1109 WeakPolarHBondContact O-CB 3.39Å
1104	C	33.4	Very low	41.2	Very low	26 Å²	26	51.5 Å²	51.5	18%	0.176	27%	0.268	C	S	.	.	H	α-helix	trans	-66.8	-18.4	-177.8	-49.8	0	0	0	0	113.7	E553 P1100 Y1101 M1136	E553-C1104 PolarHBondContact OE1-SG 3.25Å; P1100-C1104 PolarHBondContact O-SG 3.2Å; P1100-C1104 VanDerWaalsContact O-SG 3.42Å; Y1101-C1104 PolarHBondContact O-N 2.75Å; C1104-M1136 HydrophobicContact CB-CE 4.11Å; C1104-M1136 VanDerWaalsContact O-CE 3.3Å; C1104-M1136 WeakPolarHBondContact O-CE 3.46Å
1105	I	36	Very low	41	Very low	85 Å²	85	52.2 Å²	52.2	44%	0.436	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-21.6	176.5	-42.2	166.7	0	0	0	111.6	Y1101 L1103 S1107	Y1101-I1105 HydrophobicContact CD1-CD1 4.34Å; Y1101-I1105 HydrophobicContact CD2-CD1 4.38Å; Y1101-I1105 HydrophobicContact CE1-CD1 3.73Å; Y1101-I1105 HydrophobicContact CE2-CD1 3.75Å; Y1101-I1105 HydrophobicContact CE2-CG1 4Å; Y1101-I1105 WeakPolarHBondContact O-CG1 3.37Å; Y1101-I1105 WeakPolarHBondContact OH-CD1 3.2Å; L1103-I1105 PolarHBondContact O-N 3.3Å; I1105-S1107 PolarHBondContact O-N 2.93Å; I1105-S1107 VanDerWaalsContact O-N 3.16Å
1106	Q	36.8	Very low	40.7	Very low	42 Å²	42	52.1 Å²	52.1	20%	0.196	27%	0.272	C	S	.	.	S	Bend	trans	-64.5	117.9	-176.4	-122.8	168.3	-17	0	0	109	Y803 P804 L1103 A1108 M1109 Q1110	Y803-Q1106 VanDerWaalsContact C-NE2 3.32Å; Y803-Q1106 VanDerWaalsContact CA-NE2 3.34Å; P804-Q1106 HydrophobicContact CB-CB 4.42Å; P804-Q1106 HydrophobicContact CG-CB 4.12Å; P804-Q1106 HydrophobicContact CG-CG 4.43Å; P804-Q1106 CarbonylContact O-C 3.49Å; P804-Q1106 WeakPolarHBondContact O-CB 3.42Å; P804-Q1106 WeakPolarHBondContact O-CG 3.27Å; L1103-Q1106 WeakPolarHBondContact O-CB 3.47Å; L1103-Q1106 PolarHBondContact O-N 3.13Å; L1103-Q1106 VanDerWaalsContact O-N 3.1Å; Q1106-A1108 PolarHBondContact O-N 2.82Å; Q1106-M1109 WeakPolarHBondContact O-CA 3.31Å; Q1106-M1109 WeakPolarHBondContact O-CB 3.14Å; Q1106-M1109 PolarHBondContact O-N 3.4Å; Q1106-Q1110 PolarHBondContact O-N 3.21Å
1107	S	42.6	Very low	40.9	Very low	20 Å²	20	48.6 Å²	48.6	14%	0.14	26%	0.257	C	S	.	.	H	α-helix	trans	-71	-8.2	-158.2	158.5	0	0	0	0	115.7	G807 I1105 Q1110 N1111	G807-S1107 WeakPolarHBondContact CA-OG 3.38Å; G807-S1107 PolarHBondContact N-OG 2.67Å; G807-S1107 VanDerWaalsContact N-OG 3.15Å; I1105-S1107 PolarHBondContact O-N 2.93Å; I1105-S1107 VanDerWaalsContact O-N 3.16Å; S1107-Q1110 CarbonylContact O-C 3.55Å; S1107-Q1110 WeakPolarHBondContact O-CB 3.49Å; S1107-Q1110 PolarHBondContact O-N 3.24Å; S1107-N1111 WeakPolarHBondContact O-CB 3.32Å; S1107-N1111 PolarHBondContact O-N 3.13Å; S1107-N1111 PolarHBondContact O-ND2 2.79Å; S1107-N1111 PolarHBondContact O-OD1 3.39Å
1108	A	36.5	Very low	41.6	Very low	22 Å²	22	49.4 Å²	49.4	18%	0.182	27%	0.269	C	S	.	.	H	α-helix	trans	-75.4	-30	163.7	0	0	0	0	0	112.4	P804 S805 Q1106 Q1110 N1111 C1112	P804-A1108 HydrophobicContact CB-CB 3.74Å; P804-A1108 PolarHBondContact O-N 3.43Å; P804-A1108 VanDerWaalsContact O-N 3.15Å; S805-A1108 VanDerWaalsContact N-CB 3.28Å; S805-A1108 PolarHBondContact O-N 3.26Å; Q1106-A1108 PolarHBondContact O-N 2.82Å; A1108-Q1110 VanDerWaalsContact C-N 3.3Å; A1108-N1111 PolarHBondContact O-N 3.37Å; A1108-C1112 WeakPolarHBondContact O-CB 3.34Å; A1108-C1112 PolarHBondContact O-N 2.9Å; A1108-C1112 PolarHBondContact O-SG 3.43Å
1109	M	39.5	Very low	41.7	Very low	14 Å²	14	50 Å²	50	7%	0.069	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-42.3	164	-173.3	63.1	77.3	0	0	109.9	I551 E553 L1103 Q1106 N1111 C1112 I1113	I551-M1109 HydrophobicContact CB-CE 4.2Å; E553-M1109 HydrophobicContact CG-CE 3.61Å; L1103-M1109 WeakPolarHBondContact O-CB 3.39Å; Q1106-M1109 WeakPolarHBondContact O-CA 3.31Å; Q1106-M1109 WeakPolarHBondContact O-CB 3.14Å; Q1106-M1109 PolarHBondContact O-N 3.4Å; M1109-N1111 VanDerWaalsContact C-N 3.32Å; M1109-N1111 PolarHBondContact O-N 2.91Å; M1109-C1112 WeakPolarHBondContact O-CB 3.49Å; M1109-C1112 PolarHBondContact O-N 3.21Å; M1109-I1113 HydrophobicContact CG-CD1 4.34Å; M1109-I1113 WeakPolarHBondContact O-CB 3.04Å; M1109-I1113 WeakPolarHBondContact O-CG1 3.49Å; M1109-I1113 PolarHBondContact O-N 3.04Å
1110	Q	45.6	Very low	41.9	Very low	89 Å²	89	46.3 Å²	46.3	42%	0.416	25%	0.25	S	S	.	.	H	α-helix	trans	-62.8	-36.5	175.2	-155.6	168.6	38.1	0	0	112.3	Q1106 S1107 A1108 I1113 I1114	Q1106-Q1110 PolarHBondContact O-N 3.21Å; S1107-Q1110 CarbonylContact O-C 3.55Å; S1107-Q1110 WeakPolarHBondContact O-CB 3.49Å; S1107-Q1110 PolarHBondContact O-N 3.24Å; A1108-Q1110 VanDerWaalsContact C-N 3.3Å; Q1110-I1113 VanDerWaalsContact O-CB 3.31Å; Q1110-I1113 WeakPolarHBondContact O-CB 3.26Å; Q1110-I1113 PolarHBondContact O-N 3.11Å; Q1110-I1114 WeakPolarHBondContact O-CG1 3.48Å; Q1110-I1114 PolarHBondContact O-N 3.26Å
1111	N	47.2	Very low	43.4	Very low	57 Å²	57	47.9 Å²	47.9	31%	0.305	26%	0.262	S	S	.	.	H	α-helix	trans	-68.5	-41.7	171.9	-71.1	-18.4	0	0	0	112.3	S1107 A1108 M1109 I1113 I1114 Q1115	S1107-N1111 WeakPolarHBondContact O-CB 3.32Å; S1107-N1111 PolarHBondContact O-N 3.13Å; S1107-N1111 PolarHBondContact O-ND2 2.79Å; S1107-N1111 PolarHBondContact O-OD1 3.39Å; A1108-N1111 PolarHBondContact O-N 3.37Å; M1109-N1111 VanDerWaalsContact C-N 3.32Å; M1109-N1111 PolarHBondContact O-N 2.91Å; N1111-I1113 PolarHBondContact O-N 2.9Å; N1111-I1114 WeakPolarHBondContact O-CB 3.3Å; N1111-I1114 PolarHBondContact O-N 2.93Å; N1111-I1114 VanDerWaalsContact O-N 3.09Å; N1111-Q1115 WeakPolarHBondContact O-CG 3.04Å; N1111-Q1115 PolarHBondContact O-N 3.06Å
1112	C	39.8	Very low	44.4	Very low	21 Å²	21	46 Å²	46	14%	0.142	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-38.5	172.9	-68.2	0	0	0	0	110.8	A1108 M1109 Q1115 L1116	A1108-C1112 WeakPolarHBondContact O-CB 3.34Å; A1108-C1112 PolarHBondContact O-N 2.9Å; A1108-C1112 PolarHBondContact O-SG 3.43Å; M1109-C1112 WeakPolarHBondContact O-CB 3.49Å; M1109-C1112 PolarHBondContact O-N 3.21Å; C1112-Q1115 PolarHBondContact O-N 3.42Å; C1112-L1116 VanDerWaalsContact O-CB 3.29Å; C1112-L1116 WeakPolarHBondContact O-CB 3.38Å; C1112-L1116 VanDerWaalsContact O-CG 3.27Å; C1112-L1116 WeakPolarHBondContact O-CG 3.48Å; C1112-L1116 PolarHBondContact O-N 2.86Å
1113	I	42.5	Very low	44.8	Very low	13 Å²	13	47.9 Å²	47.9	7%	0.067	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-44.9	170.6	-80.6	171	0	0	0	111.4	M1109 Q1110 N1111 D1117 W1132 Q1133 M1136	M1109-I1113 HydrophobicContact CG-CD1 4.34Å; M1109-I1113 WeakPolarHBondContact O-CB 3.04Å; M1109-I1113 WeakPolarHBondContact O-CG1 3.49Å; M1109-I1113 PolarHBondContact O-N 3.04Å; Q1110-I1113 VanDerWaalsContact O-CB 3.31Å; Q1110-I1113 WeakPolarHBondContact O-CB 3.26Å; Q1110-I1113 PolarHBondContact O-N 3.11Å; N1111-I1113 PolarHBondContact O-N 2.9Å; I1113-D1117 WeakPolarHBondContact O-CB 3.27Å; I1113-D1117 PolarHBondContact O-N 2.98Å; I1113-W1132 HydrophobicContact CB-CB 4.08Å; I1113-W1132 HydrophobicContact CD1-CB 4.43Å; I1113-W1132 HydrophobicContact CG1-CB 3.82Å; I1113-W1132 HydrophobicContact CG1-CG 4.21Å; I1113-W1132 HydrophobicContact CG2-CB 3.63Å; I1113-Q1133 HydrophobicContact CG2-CG 3.75Å; I1113-M1136 HydrophobicContact CD1-CG 4.34Å
1114	I	55.6	Low	45	Very low	86 Å²	86	56 Å²	56	44%	0.441	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-44.4	173.2	-45.9	-152	0	0	0	111.3	Q1110 N1111 D1117 G1118 Q1133	Q1110-I1114 WeakPolarHBondContact O-CG1 3.48Å; Q1110-I1114 PolarHBondContact O-N 3.26Å; N1111-I1114 WeakPolarHBondContact O-CB 3.3Å; N1111-I1114 PolarHBondContact O-N 2.93Å; N1111-I1114 VanDerWaalsContact O-N 3.09Å; I1114-D1117 PolarHBondContact O-N 3.07Å; I1114-G1118 PolarHBondContact O-N 3.06Å; I1114-Q1133 VanDerWaalsContact CG1-NE2 3.28Å
1115	Q	43.5	Very low	45.2	Very low	104 Å²	104	57 Å²	57	49%	0.486	32%	0.319	S	S	.	.	H	α-helix	trans	-70.1	-37.4	-178.6	-70	-170.9	19.8	0	0	113	N1111 C1112 G1118 K1119	N1111-Q1115 WeakPolarHBondContact O-CG 3.04Å; N1111-Q1115 PolarHBondContact O-N 3.06Å; C1112-Q1115 PolarHBondContact O-N 3.42Å; Q1115-G1118 PolarHBondContact O-N 3.35Å; Q1115-K1119 WeakPolarHBondContact O-CB 3.34Å; Q1115-K1119 PolarHBondContact O-N 3Å
1116	L	39.9	Very low	45.3	Very low	50 Å²	50	57.9 Å²	57.9	26%	0.262	33%	0.331	S	S	.	.	H	α-helix	trans	-63.3	-46	173.1	-78.9	163.9	0	0	0	110.2	C1112 G1118 K1119 L1120	C1112-L1116 VanDerWaalsContact O-CB 3.29Å; C1112-L1116 WeakPolarHBondContact O-CB 3.38Å; C1112-L1116 VanDerWaalsContact O-CG 3.27Å; C1112-L1116 WeakPolarHBondContact O-CG 3.48Å; C1112-L1116 PolarHBondContact O-N 2.86Å; L1116-G1118 VanDerWaalsContact C-N 3.35Å; L1116-G1118 PolarHBondContact O-N 3.32Å; L1116-K1119 WeakPolarHBondContact O-CB 3.35Å; L1116-K1119 PolarHBondContact O-N 3.24Å; L1116-L1120 WeakPolarHBondContact O-CB 3.12Å; L1116-L1120 VanDerWaalsContact O-CG 3.23Å; L1116-L1120 WeakPolarHBondContact O-CG 3.41Å; L1116-L1120 PolarHBondContact O-N 2.91Å
1117	D	51.6	Low	45.4	Very low	9 Å²	9	63.1 Å²	63.1	5%	0.048	36%	0.359	C	S	.	.	H	α-helix	trans	-64.8	-39.3	176.6	-78	-0.2	0	0	0	112.4	I1113 I1114 L1120 S1121 R1131 W1132 Q1133	I1113-D1117 WeakPolarHBondContact O-CB 3.27Å; I1113-D1117 PolarHBondContact O-N 2.98Å; I1114-D1117 PolarHBondContact O-N 3.07Å; D1117-L1120 CarbonylContact O-C 3.49Å; D1117-L1120 PolarHBondContact O-N 2.89Å; D1117-S1121 PolarHBondContact O-N 3.44Å; D1117-S1121 PolarHBondContact O-OG 3.42Å; D1117-S1121 VanDerWaalsContact O-OG 3.12Å; D1117-R1131 PolarHBondContact O-NE 3.27Å; D1117-R1131 VanDerWaalsContact OD1-CA 3.27Å; D1117-R1131 WeakPolarHBondContact OD1-CA 3.44Å; D1117-R1131 WeakPolarHBondContact OD2-CB 3.36Å; D1117-W1132 VanDerWaalsContact CG-N 3.29Å; D1117-W1132 PolarHBondContact OD1-N 3.4Å; D1117-W1132 PolarHBondContact OD2-N 2.72Å; D1117-Q1133 VanDerWaalsContact OD2-CB 3.3Å; D1117-Q1133 WeakPolarHBondContact OD2-CB 3.03Å; D1117-Q1133 WeakPolarHBondContact OD2-CG 3.29Å; D1117-Q1133 PolarHBondContact OD2-N 2.77Å
1118	G	60.6	Low	44.8	Very low	35 Å²	35	65.1 Å²	65.1	36%	0.361	37%	0.368	S	S	.	.	H	α-helix	trans	-59.1	-48.4	171.3	0	0	0	0	0	112.3	I1114 Q1115 L1116 S1121 A1122	I1114-G1118 PolarHBondContact O-N 3.06Å; Q1115-G1118 PolarHBondContact O-N 3.35Å; L1116-G1118 VanDerWaalsContact C-N 3.35Å; L1116-G1118 PolarHBondContact O-N 3.32Å; G1118-S1121 WeakPolarHBondContact CA-OG 3.38Å; G1118-S1121 PolarHBondContact O-N 3.18Å; G1118-S1121 PolarHBondContact O-OG 3.1Å; G1118-A1122 PolarHBondContact O-N 3.01Å
1119	K	44.1	Very low	45.2	Very low	64 Å²	64	73.4 Å²	73.4	28%	0.278	40%	0.396	S	S	.	.	H	α-helix	trans	-58	-47.2	172	-86.4	-162	173.3	-152.4	0	111.9	D545 Q1115 L1116 S1121 A1122 I1123	D545-K1119 PolarHBondContact O-NZ 3.12Å; Q1115-K1119 WeakPolarHBondContact O-CB 3.34Å; Q1115-K1119 PolarHBondContact O-N 3Å; L1116-K1119 WeakPolarHBondContact O-CB 3.35Å; L1116-K1119 PolarHBondContact O-N 3.24Å; K1119-S1121 PolarHBondContact O-N 3.17Å; K1119-A1122 CarbonylContact O-C 3.37Å; K1119-A1122 PolarHBondContact O-N 2.82Å; K1119-I1123 WeakPolarHBondContact O-CG1 3.34Å; K1119-I1123 PolarHBondContact O-N 3.08Å
1120	L	45	Very low	45.3	Very low	32 Å²	32	77.1 Å²	77.1	17%	0.168	41%	0.412	C	S	.	.	H	α-helix	trans	-67.5	-15.6	179.6	-68.3	174.9	0	0	0	113	L1116 D1117 I1123 I1128 F1130 R1131	L1116-L1120 WeakPolarHBondContact O-CB 3.12Å; L1116-L1120 VanDerWaalsContact O-CG 3.23Å; L1116-L1120 WeakPolarHBondContact O-CG 3.41Å; L1116-L1120 PolarHBondContact O-N 2.91Å; D1117-L1120 CarbonylContact O-C 3.49Å; D1117-L1120 PolarHBondContact O-N 2.89Å; L1120-I1123 HydrophobicContact CD2-CD1 4.45Å; L1120-I1128 HydrophobicContact CD2-CG2 4.01Å; L1120-F1130 HydrophobicContact CD1-CD1 4.29Å; L1120-R1131 PolarHBondContact O-NH2 2.93Å
1121	S	61.6	Low	45.3	Very low	74 Å²	74	75.5 Å²	75.5	52%	0.517	40%	0.402	S	S	.	.	H	α-helix	trans	-90.8	-25.8	164.8	48.7	0	0	0	0	114.8	D1117 G1118 K1119	D1117-S1121 PolarHBondContact O-N 3.44Å; D1117-S1121 PolarHBondContact O-OG 3.42Å; D1117-S1121 VanDerWaalsContact O-OG 3.12Å; G1118-S1121 WeakPolarHBondContact CA-OG 3.38Å; G1118-S1121 PolarHBondContact O-N 3.18Å; G1118-S1121 PolarHBondContact O-OG 3.1Å; K1119-S1121 PolarHBondContact O-N 3.17Å
1122	A	58.6	Low	44.8	Very low	79 Å²	79	75.5 Å²	75.5	65%	0.653	40%	0.398	S	S	*	.	H	α-helix	trans	-77.5	-31.9	174.5	0	0	0	0	0	112.2	G1118 K1119 Q1124	G1118-A1122 PolarHBondContact O-N 3.01Å; K1119-A1122 CarbonylContact O-C 3.37Å; K1119-A1122 PolarHBondContact O-N 2.82Å; A1122-Q1124 VanDerWaalsContact C-N 3.33Å; A1122-Q1124 PolarHBondContact O-N 3.39Å
1123	I	45.4	Very low	45.2	Very low	64 Å²	64	78.8 Å²	78.8	33%	0.328	41%	0.411	S	S	.	.	S	Bend	trans	-68.2	94.7	164.8	-61.4	165.3	0	0	0	106.8	K1119 L1120 S1125	K1119-I1123 WeakPolarHBondContact O-CG1 3.34Å; K1119-I1123 PolarHBondContact O-N 3.08Å; L1120-I1123 HydrophobicContact CD2-CD1 4.45Å; I1123-S1125 PolarHBondContact O-N 3Å
1124	Q	38.9	Very low	45.5	Very low	190 Å²	190	82.3 Å²	82.3	89%	0.888	43%	0.427	S	S	*	.			trans	-74.9	32.2	-172.1	-153.8	166.4	3.7	0	0	113.6	A1122	A1122-Q1124 VanDerWaalsContact C-N 3.33Å; A1122-Q1124 PolarHBondContact O-N 3.39Å
1125	S	38.6	Very low	44.7	Very low	46 Å²	46	80.1 Å²	80.1	32%	0.322	42%	0.416	S	S	.	.			trans	-82.4	123.8	172.7	68.5	0	0	0	0	110.2	I1123 L1127	I1123-S1125 PolarHBondContact O-N 3Å; S1125-L1127 PolarHBondContact O-N 2.86Å
1126	P	38.1	Very low	44.5	Very low	105 Å²	105	78.2 Å²	78.2	68%	0.682	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	11.5	-178	30.9	-36.7	0	0	0	114.4	Y1129	P1126-Y1129 WeakPolarHBondContact O-CE2 3.39Å
1127	L	39	Very low	44.6	Very low	152 Å²	152	83.4 Å²	83.4	80%	0.796	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-15.7	-173	-74.3	161.9	0	0	0	114.1	S1125	S1125-L1127 PolarHBondContact O-N 2.86Å
1128	I	29.8	Very low	44.1	Very low	62 Å²	62	88 Å²	88	32%	0.318	45%	0.445	S	S	.	.			trans	-111	76.4	-176	-45	178.3	0	0	0	110.6	L1120 F1130 R1131	L1120-I1128 HydrophobicContact CD2-CG2 4.01Å; I1128-F1130 HydrophobicContact CG2-CB 4.4Å; I1128-F1130 PolarHBondContact O-N 3.17Å; I1128-R1131 PolarHBondContact O-NH1 2.9Å
1129	Y	43.4	Very low	42.7	Very low	195 Å²	195	90.6 Å²	90.6	77%	0.765	45%	0.447	S	S	*	.			trans	-71.2	-15.6	173.2	-70.5	-81.9	0	0	0	114	P1126 R1131	P1126-Y1129 WeakPolarHBondContact O-CE2 3.39Å; Y1129-R1131 PolarHBondContact O-N 2.81Å
1130	F	43.4	Very low	42	Very low	92 Å²	92	91.1 Å²	91.1	40%	0.404	46%	0.457	S	S	.	.			trans	-61.6	130.6	-175.8	175.3	-95.2	0	0	0	112.1	L1120 I1128 W1132 L1135	L1120-F1130 HydrophobicContact CD1-CD1 4.29Å; I1128-F1130 HydrophobicContact CG2-CB 4.4Å; I1128-F1130 PolarHBondContact O-N 3.17Å; F1130-W1132 AromaticContact CE1-CD1 3.79Å; F1130-W1132 AromaticContact CE1-CD2 3.67Å; F1130-W1132 HydrophobicContact CE1-CD2 3.67Å; F1130-W1132 AromaticContact CE1-CE2 3.59Å; F1130-W1132 HydrophobicContact CE1-CE3 4.28Å; F1130-W1132 AromaticContact CE1-CG 3.81Å; F1130-W1132 HydrophobicContact CE1-CG 3.81Å; F1130-W1132 HydrophobicContact CE1-CZ2 4.11Å; F1130-W1132 AromaticContact CE1-NE1 3.66Å; F1130-W1132 AromaticContact CZ-CD2 3.84Å; F1130-W1132 HydrophobicContact CZ-CD2 3.84Å; F1130-W1132 AromaticContact CZ-CE3 3.97Å; F1130-W1132 HydrophobicContact CZ-CE3 3.97Å; F1130-W1132 HydrophobicContact CZ-CG 4.22Å; F1130-W1132 HydrophobicContact CZ-CZ2 4.42Å; F1130-W1132 HydrophobicContact CZ-CZ3 4.32Å; F1130-L1135 HydrophobicContact CE2-CD1 3.75Å; F1130-L1135 HydrophobicContact CZ-CD1 4Å
1131	R	44.2	Very low	41.4	Very low	56 Å²	56	92.2 Å²	92.2	21%	0.211	47%	0.466	C	S	.	.			trans	-135.5	121.1	176.2	-66.2	-63.5	179.4	-82.3	-1.7	109.9	D1117 L1120 I1128 Y1129 Q1133 E1134 L1135	D1117-R1131 PolarHBondContact O-NE 3.27Å; D1117-R1131 VanDerWaalsContact OD1-CA 3.27Å; D1117-R1131 WeakPolarHBondContact OD1-CA 3.44Å; D1117-R1131 WeakPolarHBondContact OD2-CB 3.36Å; L1120-R1131 PolarHBondContact O-NH2 2.93Å; I1128-R1131 PolarHBondContact O-NH1 2.9Å; Y1129-R1131 PolarHBondContact O-N 2.81Å; R1131-Q1133 VanDerWaalsContact C-N 3.27Å; R1131-Q1133 PolarHBondContact O-N 3.28Å; R1131-E1134 HydrophobicContact CB-CB 4.24Å; R1131-E1134 HydrophobicContact CB-CG 3.98Å; R1131-E1134 PolarHBondContact O-N 3.17Å; R1131-L1135 PolarHBondContact O-N 2.63Å; R1131-L1135 VanDerWaalsContact O-N 3.13Å
1132	W	37.9	Very low	39.8	Very low	57 Å²	57	92.5 Å²	92.5	22%	0.216	47%	0.466	C	S	.	.	H	α-helix	trans	-58.5	-36.4	179.5	-69.9	101	0	0	0	112.4	I1113 D1117 F1130 E1134 L1135 M1136	I1113-W1132 HydrophobicContact CB-CB 4.08Å; I1113-W1132 HydrophobicContact CD1-CB 4.43Å; I1113-W1132 HydrophobicContact CG1-CB 3.82Å; I1113-W1132 HydrophobicContact CG1-CG 4.21Å; I1113-W1132 HydrophobicContact CG2-CB 3.63Å; D1117-W1132 VanDerWaalsContact CG-N 3.29Å; D1117-W1132 PolarHBondContact OD1-N 3.4Å; D1117-W1132 PolarHBondContact OD2-N 2.72Å; F1130-W1132 AromaticContact CE1-CD1 3.79Å; F1130-W1132 AromaticContact CE1-CD2 3.67Å; F1130-W1132 HydrophobicContact CE1-CD2 3.67Å; F1130-W1132 AromaticContact CE1-CE2 3.59Å; F1130-W1132 HydrophobicContact CE1-CE3 4.28Å; F1130-W1132 AromaticContact CE1-CG 3.81Å; F1130-W1132 HydrophobicContact CE1-CG 3.81Å; F1130-W1132 HydrophobicContact CE1-CZ2 4.11Å; F1130-W1132 AromaticContact CE1-NE1 3.66Å; F1130-W1132 AromaticContact CZ-CD2 3.84Å; F1130-W1132 HydrophobicContact CZ-CD2 3.84Å; F1130-W1132 AromaticContact CZ-CE3 3.97Å; F1130-W1132 HydrophobicContact CZ-CE3 3.97Å; F1130-W1132 HydrophobicContact CZ-CG 4.22Å; F1130-W1132 HydrophobicContact CZ-CZ2 4.42Å; F1130-W1132 HydrophobicContact CZ-CZ3 4.32Å; W1132-E1134 VanDerWaalsContact C-N 3.32Å; W1132-E1134 PolarHBondContact O-N 3.27Å; W1132-L1135 PolarHBondContact O-N 3.03Å; W1132-M1136 WeakPolarHBondContact O-CB 3.3Å; W1132-M1136 WeakPolarHBondContact O-CG 3.35Å; W1132-M1136 PolarHBondContact O-N 3.21Å
1133	Q	47.9	Very low	38.2	Very low	89 Å²	89	99.1 Å²	99.1	42%	0.416	47%	0.474	S	S	.	.	H	α-helix	trans	-61.8	-39.1	173.3	-72.6	-171.6	2.9	0	0	112.1	I1113 I1114 D1117 R1131 M1136 R1137	I1113-Q1133 HydrophobicContact CG2-CG 3.75Å; I1114-Q1133 VanDerWaalsContact CG1-NE2 3.28Å; D1117-Q1133 VanDerWaalsContact OD2-CB 3.3Å; D1117-Q1133 WeakPolarHBondContact OD2-CB 3.03Å; D1117-Q1133 WeakPolarHBondContact OD2-CG 3.29Å; D1117-Q1133 PolarHBondContact OD2-N 2.77Å; R1131-Q1133 VanDerWaalsContact C-N 3.27Å; R1131-Q1133 PolarHBondContact O-N 3.28Å; Q1133-M1136 PolarHBondContact O-N 3.4Å; Q1133-R1137 WeakPolarHBondContact O-CB 3.28Å; Q1133-R1137 PolarHBondContact O-N 3.05Å
1134	E	49.1	Very low	37.3	Very low	87 Å²	87	102.2 Å²	102.2	41%	0.407	50%	0.495	S	S	.	.	H	α-helix	trans	-73.2	-37.7	-179.4	-62.8	-148.7	121.4	0	0	111.5	R1131 W1132 R1137 E1138	R1131-E1134 HydrophobicContact CB-CB 4.24Å; R1131-E1134 HydrophobicContact CB-CG 3.98Å; R1131-E1134 PolarHBondContact O-N 3.17Å; W1132-E1134 VanDerWaalsContact C-N 3.32Å; W1132-E1134 PolarHBondContact O-N 3.27Å; E1134-R1137 CarbonylContact O-C 2.97Å; E1134-R1137 PolarHBondContact O-N 3.06Å; E1134-R1137 VanDerWaalsContact O-N 3.1Å; E1134-R1137 IonicContact OE1-CZ 2.75Å; E1134-R1137 IonicContact OE1-NH1 3.51Å; E1134-R1137 PolarHBondContact OE1-NH1 3.18Å; E1134-R1137 IonicContact OE1-NH2 3.35Å; E1134-R1137 PolarHBondContact OE1-NH2 2.75Å; E1134-E1138 PolarHBondContact O-N 3.05Å
1135	L	38.8	Very low	36.5	Very low	41 Å²	41	100.8 Å²	100.8	22%	0.215	49%	0.491	C	S	.	.	H	α-helix	trans	-57.7	-50	169.8	-177.7	158.8	0	0	0	111.1	D279 F1130 R1131 W1132 R1137 E1138 F1139	D279-L1135 HydrophobicContact CB-CD1 3.71Å; D279-L1135 HydrophobicContact CB-CD2 4.45Å; D279-L1135 HydrophobicContact CB-CG 3.83Å; F1130-L1135 HydrophobicContact CE2-CD1 3.75Å; F1130-L1135 HydrophobicContact CZ-CD1 4Å; R1131-L1135 PolarHBondContact O-N 2.63Å; R1131-L1135 VanDerWaalsContact O-N 3.13Å; W1132-L1135 PolarHBondContact O-N 3.03Å; L1135-R1137 PolarHBondContact O-N 3.41Å; L1135-E1138 PolarHBondContact O-N 2.83Å; L1135-F1139 WeakPolarHBondContact O-CD2 3.33Å; L1135-F1139 PolarHBondContact O-N 3.42Å
1136	M	39.1	Very low	35.8	Very low	63 Å²	63	104.4 Å²	104.4	31%	0.31	51%	0.513	S	S	.	.	H	α-helix	trans	-66.3	-17.7	176.8	-68.9	-71.6	-82.4	0	0	113.4	C1104 I1113 W1132 Q1133	C1104-M1136 HydrophobicContact CB-CE 4.11Å; C1104-M1136 VanDerWaalsContact O-CE 3.3Å; C1104-M1136 WeakPolarHBondContact O-CE 3.46Å; I1113-M1136 HydrophobicContact CD1-CG 4.34Å; W1132-M1136 WeakPolarHBondContact O-CB 3.3Å; W1132-M1136 WeakPolarHBondContact O-CG 3.35Å; W1132-M1136 PolarHBondContact O-N 3.21Å; Q1133-M1136 PolarHBondContact O-N 3.4Å
1137	R	41.8	Very low	35.1	Very low	159 Å²	159	108 Å²	108	60%	0.6	52%	0.521	S	S	*	.	H	α-helix	trans	-91.9	-31.5	176.5	-168	-170.1	73.2	-148.4	-5.1	113.1	Q1133 E1134 L1135 P1140	Q1133-R1137 WeakPolarHBondContact O-CB 3.28Å; Q1133-R1137 PolarHBondContact O-N 3.05Å; E1134-R1137 CarbonylContact O-C 2.97Å; E1134-R1137 PolarHBondContact O-N 3.06Å; E1134-R1137 VanDerWaalsContact O-N 3.1Å; E1134-R1137 IonicContact OE1-CZ 2.75Å; E1134-R1137 IonicContact OE1-NH1 3.51Å; E1134-R1137 PolarHBondContact OE1-NH1 3.18Å; E1134-R1137 IonicContact OE1-NH2 3.35Å; E1134-R1137 PolarHBondContact OE1-NH2 2.75Å; L1135-R1137 PolarHBondContact O-N 3.41Å; R1137-P1140 WeakPolarHBondContact O-CD 3.46Å
1138	E	39.9	Very low	34.4	Very low	107 Å²	107	108 Å²	108	50%	0.5	52%	0.52	S	S	.	.	H	α-helix	trans	-75.8	-34.4	171.8	-72.2	-147	135.9	0	0	112	R280 E1134 L1135 P1140	R280-E1138 IonicContact CZ-OE2 2.96Å; R280-E1138 IonicContact NE-OE2 3.96Å; R280-E1138 IonicContact NH2-OE2 3.87Å; R280-E1138 PolarHBondContact NH2-OE2 3.02Å; E1134-E1138 PolarHBondContact O-N 3.05Å; L1135-E1138 PolarHBondContact O-N 2.83Å; E1138-P1140 WeakPolarHBondContact O-CD 3.35Å
1139	F	31.7	Very low	34.1	Very low	89 Å²	89	111.8 Å²	111.8	39%	0.39	54%	0.536	S	S	.	.	S	Bend	trans	-112.8	53.6	-179.2	-59	-74.9	0	0	0	113.7	D279 R280 L1135	D279-F1139 HydrophobicContact CB-CD2 3.95Å; D279-F1139 HydrophobicContact CB-CE2 3.82Å; D279-F1139 WeakPolarHBondContact O-CD1 3.37Å; D279-F1139 VanDerWaalsContact O-CE1 3.24Å; D279-F1139 WeakPolarHBondContact O-CE1 3.47Å; D279-F1139 VanDerWaalsContact O-CZ 3.31Å; D279-F1139 WeakPolarHBondContact O-CZ 3.11Å; D279-F1139 WeakPolarHBondContact OD2-CE2 3.32Å; R280-F1139 HydrophobicContact CB-CZ 4.5Å; R280-F1139 HydrophobicContact CG-CE2 4.23Å; R280-F1139 HydrophobicContact CG-CZ 3.85Å; L1135-F1139 WeakPolarHBondContact O-CD2 3.33Å; L1135-F1139 PolarHBondContact O-N 3.42Å
1140	P	29.1	Very low	33.4	Very low	75 Å²	75	107.6 Å²	107.6	49%	0.487	53%	0.526	S	S	.	.			trans	-69.9	130.1	-179.7	31.2	-33.6	0	0	0	109.7	R1137 E1138	R1137-P1140 WeakPolarHBondContact O-CD 3.46Å; E1138-P1140 WeakPolarHBondContact O-CD 3.35Å
1141	P	32.5	Very low	32.5	Very low	55 Å²	55	109.2 Å²	109.2	36%	0.357	54%	0.539	S	S	.	.			trans	-61.9	151.6	-175.5	25.7	-36.4	0	0	0	112.3	Y1101 R1143	Y1101-P1141 HydrophobicContact CE2-CB 3.58Å; Y1101-P1141 HydrophobicContact CE2-CG 3.76Å; Y1101-P1141 WeakPolarHBondContact OH-CB 3.27Å; Y1101-P1141 WeakPolarHBondContact OH-CG 3.29Å; P1141-R1143 PolarHBondContact O-N 3.16Å
1142	P	28.5	Very low	31.9	Very low	80 Å²	80	113.8 Å²	113.8	52%	0.519	56%	0.562	S	S	.	*			trans	-68.6	97.8	-165.8	27.2	-36.1	0	0	0	112.1	R260 V1144	R260-P1142 HydrophobicContact CB-CG 4.17Å; R260-P1142 PolarHBondContact NH1-O 3.01Å; R260-P1142 PolarHBondContact NH2-O 3.09Å; R260-P1142 VanDerWaalsContact NH2-O 3.14Å; P1142-V1144 PolarHBondContact O-N 3.11Å
1143	R	24.7	Very low	31.4	Very low	217 Å²	217	118 Å²	118	82%	0.819	59%	0.589	S	S	*	*			trans	-35	133.1	-173.5	-62.1	-176.1	-176.4	-175.9	1.2	113.3	R260 P1141 M1145	R260-R1143 PolarHBondContact NH2-O 3.07Å; R260-R1143 VanDerWaalsContact NH2-O 3.15Å; P1141-R1143 PolarHBondContact O-N 3.16Å; R1143-M1145 PolarHBondContact O-N 3.16Å
1144	V	26.1	Very low	30.3	Very low	129 Å²	129	121.4 Å²	121.4	78%	0.782	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-62.9	121.6	163.8	-178.4	0	0	0	0	106.7	P1142	P1142-V1144 PolarHBondContact O-N 3.11Å
1145	M	22.2	Very low	29.5	Very low	161 Å²	161	124 Å²	124	79%	0.793	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-68	130.3	173	-83.3	-166.3	162.6	0	0	108.6	R1143 Q1147	R1143-M1145 PolarHBondContact O-N 3.16Å; M1145-Q1147 PolarHBondContact O-N 3.09Å; M1145-Q1147 VanDerWaalsContact O-N 3.13Å
1146	P	23.9	Very low	29	Very low	121 Å²	121	127.3 Å²	127.3	79%	0.786	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-55.3	121.9	172.1	-23.7	33.7	0	0	0	109	I1148	P1146-I1148 PolarHBondContact O-N 3.41Å
1147	Q	23.7	Very low	28.6	Very low	180 Å²	180	129.7 Å²	129.7	84%	0.841	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-65.6	122.9	177.7	-66.5	-167.1	5.4	0	0	108.4	M1145 H1149	M1145-Q1147 PolarHBondContact O-N 3.09Å; M1145-Q1147 VanDerWaalsContact O-N 3.13Å; Q1147-H1149 PolarHBondContact O-N 3.28Å
1148	I	25.4	Very low	28.1	Very low	153 Å²	153	132.4 Å²	132.4	79%	0.785	66%	0.664	S	S	*	*			trans	-64.4	111.4	176.8	-61	173.5	0	0	0	106.7	P1146 I1150	P1146-I1148 PolarHBondContact O-N 3.41Å; I1148-I1150 WeakPolarHBondContact O-CG1 3.5Å; I1148-I1150 PolarHBondContact O-N 3.39Å
1149	H	23.9	Very low	28	Very low	142 Å²	142	130.2 Å²	130.2	66%	0.657	66%	0.66	S	S	*	*			trans	-60.8	99.5	179.1	-98.5	-97.8	0	0	0	110.2	N922 Q1147 N1151	N922-H1149 PolarHBondContact ND2-NE2 2.87Å; N922-H1149 VanDerWaalsContact ND2-NE2 3.15Å; Q1147-H1149 PolarHBondContact O-N 3.28Å; H1149-N1151 PolarHBondContact O-N 2.77Å; H1149-N1151 VanDerWaalsContact O-N 3.15Å
1150	I	27.1	Very low	28.2	Very low	106 Å²	106	129.8 Å²	129.8	54%	0.544	67%	0.665	S	S	.	*			trans	-81.3	90.3	172	-51.9	-179.8	0	0	0	106.9	I1148 H1152 F1156	I1148-I1150 WeakPolarHBondContact O-CG1 3.5Å; I1148-I1150 PolarHBondContact O-N 3.39Å; I1150-H1152 PolarHBondContact O-CE1 3.5Å; I1150-H1152 PolarHBondContact O-N 2.76Å; I1150-H1152 VanDerWaalsContact O-N 3.1Å; I1150-H1152 PolarHBondContact O-ND1 3.14Å; I1150-F1156 HydrophobicContact CG2-CE2 3.71Å; I1150-F1156 HydrophobicContact CG2-CZ 3.81Å
1151	N	26.1	Very low	28.5	Very low	127 Å²	127	130 Å²	130	68%	0.679	66%	0.661	S	S	*	*			trans	-65.5	112.7	175.3	-165.9	-10.2	0	0	0	109.4	H1149 N1153 F1156	H1149-N1151 PolarHBondContact O-N 2.77Å; H1149-N1151 VanDerWaalsContact O-N 3.15Å; N1151-N1153 VanDerWaalsContact C-N 3.28Å; N1151-N1153 PolarHBondContact O-N 2.85Å; N1151-F1156 WeakPolarHBondContact O-CE2 3.48Å
1152	H	30.4	Very low	28.5	Very low	151 Å²	151	137.2 Å²	137.2	70%	0.699	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-6.5	-163.3	-75.9	0.7	0	0	0	115.1	I1150 H1154	I1150-H1152 PolarHBondContact O-CE1 3.5Å; I1150-H1152 PolarHBondContact O-N 2.76Å; I1150-H1152 VanDerWaalsContact O-N 3.1Å; I1150-H1152 PolarHBondContact O-ND1 3.14Å; H1152-H1154 VanDerWaalsContact C-N 3.32Å; H1152-H1154 PolarHBondContact O-N 3.42Å
1153	N	28	Very low	28.9	Very low	146 Å²	146	138.7 Å²	138.7	78%	0.781	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	19.8	-169.5	-68.2	2.7	0	0	0	115.3	N1151	N1151-N1153 VanDerWaalsContact C-N 3.28Å; N1151-N1153 PolarHBondContact O-N 2.85Å
1154	H	25	Very low	29.4	Very low	160 Å²	160	135.8 Å²	135.8	74%	0.741	68%	0.678	S	S	*	*	S	Bend	trans	-132.9	137.3	163.5	-97.2	-77.1	0	0	0	111.3	H1152 F1156	H1152-H1154 VanDerWaalsContact C-N 3.32Å; H1152-H1154 PolarHBondContact O-N 3.42Å; H1154-F1156 WeakPolarHBondContact O-CD2 3.21Å; H1154-F1156 WeakPolarHBondContact O-CE2 3.46Å; H1154-F1156 PolarHBondContact O-N 2.88Å
1155	T	31.8	Very low	29.7	Very low	141 Å²	141	134.5 Å²	134.5	87%	0.865	67%	0.666	S	S	*	*			trans	-67.8	99.3	-177.8	31.5	0	0	0	0	111.6	N1157	T1155-N1157 PolarHBondContact O-N 2.85Å
1156	F	27.3	Very low	30.4	Very low	112 Å²	112	129 Å²	129	49%	0.491	65%	0.646	S	S	.	*			trans	-67.7	97.2	-174.9	-75.4	-82.5	0	0	0	113.5	I1150 N1151 H1154 R1158 I1161	I1150-F1156 HydrophobicContact CG2-CE2 3.71Å; I1150-F1156 HydrophobicContact CG2-CZ 3.81Å; N1151-F1156 WeakPolarHBondContact O-CE2 3.48Å; H1154-F1156 WeakPolarHBondContact O-CD2 3.21Å; H1154-F1156 WeakPolarHBondContact O-CE2 3.46Å; H1154-F1156 PolarHBondContact O-N 2.88Å; F1156-R1158 PolarHBondContact O-N 3.15Å; F1156-I1161 HydrophobicContact CB-CD1 4.05Å; F1156-I1161 HydrophobicContact CD1-CD1 3.82Å; F1156-I1161 HydrophobicContact CD1-CG1 4.22Å; F1156-I1161 HydrophobicContact CG-CD1 4.16Å
1157	N	32.3	Very low	31.1	Very low	113 Å²	113	127.6 Å²	127.6	60%	0.604	64%	0.635	S	S	*	*			trans	-62.7	118.7	164	-167	-19.4	0	0	0	109.7	T1155 S1159 T1160	T1155-N1157 PolarHBondContact O-N 2.85Å; N1157-S1159 PolarHBondContact O-N 3.48Å; N1157-S1159 VanDerWaalsContact O-N 3.15Å; N1157-S1159 PolarHBondContact OD1-OG 2.89Å; N1157-T1160 PolarHBondContact O-N 3.29Å
1158	R	30.9	Very low	31.5	Very low	216 Å²	216	121.9 Å²	121.9	82%	0.815	62%	0.619	S	S	*	*	H	α-helix	trans	-62.9	-23.8	-168.4	-75.8	-179.2	170.5	175.4	-2.2	113.9	F1156 T1160 I1161 R1162	F1156-R1158 PolarHBondContact O-N 3.15Å; R1158-T1160 PolarHBondContact O-N 3.43Å; R1158-I1161 PolarHBondContact O-N 2.91Å; R1158-R1162 PolarHBondContact O-N 3.3Å; R1158-R1162 VanDerWaalsContact O-N 3.09Å
1159	S	37.2	Very low	31.8	Very low	60 Å²	60	119.2 Å²	119.2	42%	0.42	61%	0.606	S	S	.	*	H	α-helix	trans	-58.2	-45.3	177.3	53.8	0	0	0	0	112.3	N1157 I1161 R1162 N1163	N1157-S1159 PolarHBondContact O-N 3.48Å; N1157-S1159 VanDerWaalsContact O-N 3.15Å; N1157-S1159 PolarHBondContact OD1-OG 2.89Å; S1159-I1161 PolarHBondContact O-N 3.5Å; S1159-R1162 PolarHBondContact O-N 3.07Å; S1159-N1163 PolarHBondContact O-N 3.01Å
1160	T	36.9	Very low	32.1	Very low	81 Å²	81	123 Å²	123	50%	0.497	62%	0.615	S	S	.	*	H	α-helix	trans	-66.2	-36.6	-177.8	-42.7	0	0	0	0	112.2	N1157 R1158 K1164	N1157-T1160 PolarHBondContact O-N 3.29Å; R1158-T1160 PolarHBondContact O-N 3.43Å; T1160-K1164 WeakPolarHBondContact O-CB 3.19Å; T1160-K1164 WeakPolarHBondContact O-CG 3.38Å; T1160-K1164 PolarHBondContact O-N 3.38Å
1161	I	33.9	Very low	32.2	Very low	79 Å²	79	126.6 Å²	126.6	41%	0.405	63%	0.626	S	S	.	*	H	α-helix	trans	-66.2	-46.7	173.8	-64	178.2	0	0	0	110.1	F1156 R1158 S1159 N1163 K1164 L1165	F1156-I1161 HydrophobicContact CB-CD1 4.05Å; F1156-I1161 HydrophobicContact CD1-CD1 3.82Å; F1156-I1161 HydrophobicContact CD1-CG1 4.22Å; F1156-I1161 HydrophobicContact CG-CD1 4.16Å; R1158-I1161 PolarHBondContact O-N 2.91Å; S1159-I1161 PolarHBondContact O-N 3.5Å; I1161-N1163 VanDerWaalsContact C-N 3.32Å; I1161-N1163 PolarHBondContact O-N 2.89Å; I1161-K1164 PolarHBondContact O-N 2.96Å; I1161-L1165 HydrophobicContact CG2-CD1 4Å; I1161-L1165 WeakPolarHBondContact O-CB 3.24Å; I1161-L1165 PolarHBondContact O-N 3.04Å
1162	R	32.4	Very low	32.1	Very low	206 Å²	206	129.9 Å²	129.9	78%	0.777	63%	0.629	S	S	*	*	H	α-helix	trans	-61.7	-40.4	-179.8	-153.4	173.6	-165.2	165.9	3.3	111.6	R1158 S1159 A1166	R1158-R1162 PolarHBondContact O-N 3.3Å; R1158-R1162 VanDerWaalsContact O-N 3.09Å; S1159-R1162 PolarHBondContact O-N 3.07Å; R1162-A1166 WeakPolarHBondContact O-CB 3.35Å; R1162-A1166 PolarHBondContact O-N 3.31Å
1163	N	37	Very low	31.8	Very low	112 Å²	112	130.3 Å²	130.3	60%	0.599	64%	0.636	S	S	*	*	H	α-helix	trans	-70.1	-40.7	175.4	-76.4	-3	0	0	0	112.8	S1159 I1161 L1165 A1166 V1167	S1159-N1163 PolarHBondContact O-N 3.01Å; I1161-N1163 VanDerWaalsContact C-N 3.32Å; I1161-N1163 PolarHBondContact O-N 2.89Å; N1163-L1165 PolarHBondContact O-N 3.37Å; N1163-A1166 PolarHBondContact O-N 3.23Å; N1163-V1167 WeakPolarHBondContact O-CB 3.42Å; N1163-V1167 WeakPolarHBondContact O-CG2 3.32Å; N1163-V1167 PolarHBondContact O-N 3.32Å
1164	K	35.4	Very low	31.7	Very low	156 Å²	156	129 Å²	129	68%	0.678	64%	0.635	S	S	*	*	H	α-helix	trans	-65.5	-37.1	174.7	-77.8	-172.8	175.3	-176.9	0	112.6	T1160 I1161 A1168	T1160-K1164 WeakPolarHBondContact O-CB 3.19Å; T1160-K1164 WeakPolarHBondContact O-CG 3.38Å; T1160-K1164 PolarHBondContact O-N 3.38Å; I1161-K1164 PolarHBondContact O-N 2.96Å; K1164-A1168 VanDerWaalsContact O-CB 3.27Å; K1164-A1168 WeakPolarHBondContact O-CB 3.32Å; K1164-A1168 PolarHBondContact O-N 3.41Å
1165	L	33.3	Very low	31.7	Very low	101 Å²	101	129.5 Å²	129.5	53%	0.529	64%	0.642	S	S	.	*	H	α-helix	trans	-67.8	-38.9	171.9	-101.1	149.1	0	0	0	112.7	I1161 N1163 A1168 N1169	I1161-L1165 HydrophobicContact CG2-CD1 4Å; I1161-L1165 WeakPolarHBondContact O-CB 3.24Å; I1161-L1165 PolarHBondContact O-N 3.04Å; N1163-L1165 PolarHBondContact O-N 3.37Å; L1165-A1168 PolarHBondContact O-N 3.14Å; L1165-N1169 WeakPolarHBondContact O-CB 3.3Å; L1165-N1169 PolarHBondContact O-N 3.2Å
1166	A	36.1	Very low	31.2	Very low	45 Å²	45	133.4 Å²	133.4	37%	0.372	64%	0.641	S	S	.	*	H	α-helix	trans	-63.8	-42.4	174	0	0	0	0	0	112.1	R1162 N1163 R1170	R1162-A1166 WeakPolarHBondContact O-CB 3.35Å; R1162-A1166 PolarHBondContact O-N 3.31Å; N1163-A1166 PolarHBondContact O-N 3.23Å; A1166-R1170 WeakPolarHBondContact O-CB 3.46Å; A1166-R1170 VanDerWaalsContact O-CG 3.3Å; A1166-R1170 WeakPolarHBondContact O-CG 3.08Å; A1166-R1170 PolarHBondContact O-N 3.05Å
1167	V	38.2	Very low	31.1	Very low	93 Å²	93	133 Å²	133	56%	0.564	65%	0.651	S	S	*	*	H	α-helix	trans	-69.3	-40.2	176.3	171.9	0	0	0	0	111.8	N1163 R1170 K1171	N1163-V1167 WeakPolarHBondContact O-CB 3.42Å; N1163-V1167 WeakPolarHBondContact O-CG2 3.32Å; N1163-V1167 PolarHBondContact O-N 3.32Å; V1167-R1170 PolarHBondContact O-N 3.26Å; V1167-K1171 PolarHBondContact O-N 2.85Å
1168	A	33.5	Very low	30.6	Very low	60 Å²	60	133.7 Å²	133.7	50%	0.496	66%	0.66	S	S	.	*	H	α-helix	trans	-62.6	-44.9	175.5	0	0	0	0	0	112	K1164 L1165 R1170 K1171	K1164-A1168 VanDerWaalsContact O-CB 3.27Å; K1164-A1168 WeakPolarHBondContact O-CB 3.32Å; K1164-A1168 PolarHBondContact O-N 3.41Å; L1165-A1168 PolarHBondContact O-N 3.14Å; A1168-R1170 VanDerWaalsContact C-N 3.35Å; A1168-R1170 PolarHBondContact O-N 3.42Å; A1168-K1171 PolarHBondContact O-N 2.96Å
1169	N	31.2	Very low	30.3	Very low	97 Å²	97	130.9 Å²	130.9	52%	0.519	66%	0.661	S	S	.	*	H	α-helix	trans	-68.4	-31.9	175.6	-75.4	-23.1	0	0	0	112.5	L1165 K1171 R1172	L1165-N1169 WeakPolarHBondContact O-CB 3.3Å; L1165-N1169 PolarHBondContact O-N 3.2Å; N1169-K1171 PolarHBondContact O-N 2.97Å; N1169-R1172 PolarHBondContact O-N 3.22Å
1170	R	29.5	Very low	29.6	Very low	222 Å²	222	131.9 Å²	131.9	84%	0.838	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-5	172.5	-77.5	-178.6	178.2	-169.5	0.3	114.8	A1166 V1167 A1168	A1166-R1170 WeakPolarHBondContact O-CB 3.46Å; A1166-R1170 VanDerWaalsContact O-CG 3.3Å; A1166-R1170 WeakPolarHBondContact O-CG 3.08Å; A1166-R1170 PolarHBondContact O-N 3.05Å; V1167-R1170 PolarHBondContact O-N 3.26Å; A1168-R1170 VanDerWaalsContact C-N 3.35Å; A1168-R1170 PolarHBondContact O-N 3.42Å
1171	K	30.4	Very low	28.9	Very low	180 Å²	180	139.3 Å²	139.3	78%	0.783	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	11.8	168.6	-74.7	-162.6	173.4	-170.8	0	114.2	V1167 A1168 N1169 L1173	V1167-K1171 PolarHBondContact O-N 2.85Å; A1168-K1171 PolarHBondContact O-N 2.96Å; N1169-K1171 PolarHBondContact O-N 2.97Å; K1171-L1173 PolarHBondContact O-N 3.13Å
1172	R	24.3	Very low	28.3	Very low	197 Å²	197	144.6 Å²	144.6	74%	0.743	73%	0.725	S	S	*	*	S	Bend	trans	-75.3	113.3	158.6	-73	-171	172.5	-159	-3.2	109	N1169	N1169-R1172 PolarHBondContact O-N 3.22Å
1173	L	24.1	Very low	27.8	Very low	159 Å²	159	139.7 Å²	139.7	83%	0.832	72%	0.722	S	S	*	*			trans	-53.3	121.2	172.3	-66.6	164.1	0	0	0	109.1	K1171 I1175	K1171-L1173 PolarHBondContact O-N 3.13Å; L1173-I1175 PolarHBondContact O-N 3.11Å
1174	P	25.4	Very low	27	Very low	119 Å²	119	141.2 Å²	141.2	77%	0.773	74%	0.736	S	S	*	*			trans	-72.1	114.8	179.7	27.8	-32.5	0	0	0	109.5	R1176	P1174-R1176 PolarHBondContact O-N 3.1Å
1175	I	24.6	Very low	26.3	Very low	171 Å²	171	139.1 Å²	139.1	88%	0.877	74%	0.741	S	S	*	*			trans	-65.7	105.7	172.6	-61.8	173.9	0	0	0	107.3	L1173 S1177	L1173-I1175 PolarHBondContact O-N 3.11Å; I1175-S1177 PolarHBondContact O-N 3.07Å; I1175-S1177 VanDerWaalsContact O-N 3.15Å
1176	R	21.4	Very low	25.8	Very low	223 Å²	223	139.7 Å²	139.7	84%	0.842	75%	0.751	S	S	*	*			trans	-80.5	94.8	-172.1	-174.4	-178.2	-175.3	179.9	1.5	110.5	P1174 T1178	P1174-R1176 PolarHBondContact O-N 3.1Å; R1176-T1178 PolarHBondContact O-N 3.22Å
1177	S	24.6	Very low	25.1	Very low	102 Å²	102	143.4 Å²	143.4	71%	0.713	77%	0.774	S	S	*	*			trans	-56.6	120.9	165.3	52.6	0	0	0	0	110.5	I1175 N1179	I1175-S1177 PolarHBondContact O-N 3.07Å; I1175-S1177 VanDerWaalsContact O-N 3.15Å; S1177-N1179 VanDerWaalsContact C-N 3.31Å; S1177-N1179 PolarHBondContact O-N 2.79Å
1178	T	22.1	Very low	24.3	Very low	129 Å²	129	145.3 Å²	145.3	79%	0.791	79%	0.785	S	S	*	*			trans	-84.7	59	-171.7	47.6	0	0	0	0	113.6	R1176	R1176-T1178 PolarHBondContact O-N 3.22Å
1179	N	25.2	Very low	23.7	Very low	157 Å²	157	150.9 Å²	150.9	84%	0.84	80%	0.803	S	S	*	*			trans	-94.1	99.3	166.7	-78.2	5	0	0	0	109.7	S1177	S1177-N1179 VanDerWaalsContact C-N 3.31Å; S1177-N1179 PolarHBondContact O-N 2.79Å
1180	G	22.7	Very low	23.2	Very low	81 Å²	81	153.5 Å²	153.5	84%	0.835	82%	0.817	S	S	*	*			trans	-98.4	88	-173	0	0	0	0	0	114.7
1181	R	21.8	Very low	22.9	Very low	237 Å²	237	151 Å²	151	89%	0.894	82%	0.815	S	S	*	*			trans	-152.3	115.4	150.1	-153.1	169.2	-173.6	169.4	1.6	111.3
1182	M	21.5	Very low	22.5	Very low	189 Å²	189	149.1 Å²	149.1	93%	0.931	81%	0.814	S	S	*	*			trans	-97.3	121.1	174.9	-65.9	177.8	66.3	0	0	109.8
1183	S	21.5	Very low	22.3	Very low	103 Å²	103	145.1 Å²	145.1	72%	0.72	82%	0.816	S	S	*	*			trans	-171.2	74.8	161.1	56.5	0	0	0	0	113.4
1184	T	21.3	Very low	22.1	Very low	144 Å²	144	143.4 Å²	143.4	88%	0.883	81%	0.812	S	S	*	*			trans	-131.3	113.3	152.1	52.1	0	0	0	0	108.1
1185	S	20.7	Very low	21.9	Very low	113 Å²	113	145.6 Å²	145.6	79%	0.79	82%	0.817	S	S	*	*			trans	-52.7	152.5	-163.9	-49.2	0	0	0	0	116.1
1186	P	21.8	Very low	21.8	Very low	112 Å²	112	144.1 Å²	144.1	73%	0.727	81%	0.809	S	S	*	*			trans	-67.9	143.9	169	31	-35	0	0	0	111	V1188	P1186-V1188 PolarHBondContact O-N 2.71Å
1187	S	20.9	Very low	21.7	Very low	124 Å²	124	141.4 Å²	141.4	87%	0.867	81%	0.806	S	S	*	*			trans	-69.4	110.3	167.4	54.2	0	0	0	0	110.2
1188	V	22.5	Very low	21.6	Very low	132 Å²	132	143.3 Å²	143.3	80%	0.8	81%	0.808	S	S	*	*			trans	-100.4	141.6	167.2	177.7	0	0	0	0	109.1	P1186	P1186-V1188 PolarHBondContact O-N 2.71Å
1189	M	21	Very low	21.6	Very low	177 Å²	177	141.3 Å²	141.3	87%	0.872	80%	0.799	S	S	*	*			trans	-60.1	134.6	-175.2	-77.8	168.8	145.3	0	0	113.3	Q1191	M1189-Q1191 PolarHBondContact O-N 2.82Å
1190	N	20.6	Very low	21.4	Very low	152 Å²	152	142.1 Å²	142.1	81%	0.813	80%	0.798	S	S	*	*			trans	-49	113.3	157	172.5	23	0	0	0	111.9
1191	Q	22.3	Very low	21.4	Very low	169 Å²	169	148.2 Å²	148.2	79%	0.79	80%	0.802	S	S	*	*			trans	-145.3	113.5	154.2	-75.2	-159.4	-8.3	0	0	111.6	M1189	M1189-Q1191 PolarHBondContact O-N 2.82Å
1192	N	22.3	Very low	21.5	Very low	142 Å²	142	142.1 Å²	142.1	76%	0.759	80%	0.795	S	S	*	*			trans	35.1	109.5	140	-52.3	-10.8	0	0	0	120.2
1193	S	21.2	Very low	21.8	Very low	112 Å²	112	138 Å²	138	78%	0.783	78%	0.783	S	S	*	*				-169.3	101.5	127.8	18.8	0	0	0	0	114.1
1194	T	19.9	Very low	21.9	Very low	123 Å²	123	140.5 Å²	140.5	76%	0.755	79%	0.787	S	S	*	*				26.9	132	128.8	52.5	0	0	0	0	122.9
1195	L	19.8	Very low	22.9	Very low	165 Å²	165	138.2 Å²	138.2	86%	0.864	78%	0.775	S	S	*	*			trans	93.5	157.5	136.4	-73	163.8	0	0	0	121.8
1196	I	23.5	Very low	22.9	Very low	140 Å²	140	139.4 Å²	139.4	72%	0.718	77%	0.773	S	S	*	*			trans	78.3	86.3	171.7	-42.9	-172.7	0	0	0	117
1197	E	19.4	Very low	22.9	Very low	166 Å²	166	143.6 Å²	143.6	78%	0.776	78%	0.779	S	S	*	*				18.7	132.8	124.4	-59.6	166.7	142	0	0	117.8
1198	N	22.8	Very low	23	Very low	143 Å²	143	144.2 Å²	144.2	77%	0.765	78%	0.778	S	S	*	*				-167.3	152.4	90.8	-99.7	-66.3	0	0	0	115.7
1199	S	20.7	Very low	22.9	Very low	86 Å²	86	146.4 Å²	146.4	60%	0.601	78%	0.779	S	S	*	*			trans	32.5	114	150.2	65.6	0	0	0	0	122.2
1200	E	20.5	Very low	22.9	Very low	175 Å²	175	144.2 Å²	144.2	82%	0.818	78%	0.776	S	S	*	*				57.8	112.7	119.3	-59.9	173	136.5	0	0	120.9
1201	F	22.8	Very low	22.9	Very low	209 Å²	209	141.1 Å²	141.1	92%	0.917	77%	0.766	S	S	*	*				-165.3	94.2	113.1	-105.7	-67.6	0	0	0	111
1202	S	25.4	Very low	22.8	Very low	108 Å²	108	140.6 Å²	140.6	76%	0.755	76%	0.764	S	S	*	*			trans	-93.6	152.3	148.9	-60.4	0	0	0	0	106.7
1203	P	27.8	Very low	22.8	Very low	102 Å²	102	141.8 Å²	141.8	66%	0.662	76%	0.763	S	S	*	*				-157.8	135.4	84.8	38.9	-17.7	0	0	0	117.9
1204	L	23	Very low	22.8	Very low	156 Å²	156	142.6 Å²	142.6	82%	0.817	76%	0.758	S	S	*	*				68.8	168.9	123.5	-65.3	-178.8	0	0	0	120.7
1205	P	42	Very low	22.9	Very low	96 Å²	96	144 Å²	144	62%	0.623	76%	0.761	S	S	*	*			cis	-140.2	177.3	-27.4	31.2	-11.2	0	0	0	117.1
1206	N	21.2	Very low	23	Very low	139 Å²	139	140.2 Å²	140.2	74%	0.743	75%	0.748	S	S	*	*			trans	74.7	101.9	137.9	-74.7	-5.1	0	0	0	121.3
1207	K	21.3	Very low	22.9	Very low	200 Å²	200	139.5 Å²	139.5	87%	0.87	75%	0.75	S	S	*	*				-36	144.9	125.2	-56.8	168.9	178.7	174.5	0	111.9
1208	T	23.3	Very low	22.9	Very low	136 Å²	136	140.2 Å²	140.2	83%	0.834	75%	0.751	S	S	*	*			trans	-140.6	141.3	145.5	-19.6	0	0	0	0	109.2
1209	Q	20.8	Very low	22.9	Very low	178 Å²	178	138.8 Å²	138.8	83%	0.832	75%	0.752	S	S	*	*			trans	-87	148.7	174.9	-60.3	150.2	-50.6	0	0	109.2
1210	T	21.3	Very low	22.9	Very low	132 Å²	132	141.4 Å²	141.4	81%	0.81	76%	0.758	S	S	*	*			trans	172.1	111.9	140.6	28.6	0	0	0	0	106.1
1211	S	19.9	Very low	23.1	Very low	86 Å²	86	140.2 Å²	140.2	60%	0.601	76%	0.757	S	S	*	*				81.2	133	57.2	74.1	0	0	0	0	113.5
1212	Q	20.5	Very low	23.2	Very low	159 Å²	159	138.8 Å²	138.8	74%	0.743	75%	0.753	S	S	*	*			trans	69.3	158.2	167.2	-65.4	167	-16.6	0	0	115.6
1213	F	21.4	Very low	23.2	Very low	167 Å²	167	140.6 Å²	140.6	73%	0.732	76%	0.76	S	S	*	*			cis	-128.4	161.4	-1.6	-115.7	-62.4	0	0	0	111.4
1214	D	20.6	Very low	23	Very low	128 Å²	128	140.5 Å²	140.5	68%	0.684	76%	0.762	S	S	*	*			trans	-57.2	159.1	172.8	-53.3	-101.9	0	0	0	114.1
1215	N	23.9	Very low	23.1	Very low	154 Å²	154	141.8 Å²	141.8	82%	0.824	76%	0.761	S	S	*	*				-154.7	103.4	126.8	-108.7	-51	0	0	0	115.2
1216	S	21	Very low	22.4	Very low	84 Å²	84	147.1 Å²	147.1	59%	0.587	77%	0.774	S	S	*	*				54.4	86.6	126.4	58.4	0	0	0	0	122.1
1217	V	20.6	Very low	22.6	Very low	126 Å²	126	150.5 Å²	150.5	76%	0.764	78%	0.783	S	S	*	*				69.1	135.5	103.6	168	0	0	0	0	121.4
1218	K	21.1	Very low	23	Very low	181 Å²	181	146.3 Å²	146.3	79%	0.787	77%	0.77	S	S	*	*			trans	84.4	94.8	159.2	-79.7	160.1	-165.5	173.3	0	121.1
1219	S	22.5	Very low	23.2	Very low	113 Å²	113	147.4 Å²	147.4	79%	0.79	77%	0.771	S	S	*	*				-147	124.3	111.6	18.9	0	0	0	0	105.7
1220	I	20.5	Very low	23.3	Very low	140 Å²	140	147.9 Å²	147.9	72%	0.718	78%	0.775	S	S	*	*				56.4	98	64.1	-54.7	176.6	0	0	0	110.8
1221	D	25.1	Very low	23.5	Very low	151 Å²	151	149.5 Å²	149.5	81%	0.807	77%	0.771	S	S	*	*				-157.6	171.6	104.5	-132.4	-36.4	0	0	0	113.9
1222	Q	23.8	Very low	23.7	Very low	179 Å²	179	151.3 Å²	151.3	84%	0.836	78%	0.78	S	S	*	*			trans	-104.3	105.4	-168.8	-59.9	179.5	2.5	0	0	113.8
1223	T	26.6	Very low	24	Very low	146 Å²	146	153.3 Å²	153.3	90%	0.896	79%	0.787	S	S	*	*			trans	-132.8	64.9	165.8	60.8	0	0	0	0	113
1224	S	22.4	Very low	24.2	Very low	99 Å²	99	151.5 Å²	151.5	69%	0.692	79%	0.792	S	S	*	*			trans	-81.8	148	162.8	83.9	0	0	0	0	110.7
1225	K	25.8	Very low	24.3	Very low	184 Å²	184	150.9 Å²	150.9	80%	0.8	80%	0.798	S	S	*	*	S	Bend	trans	65.7	72.2	162.7	-54.7	174.9	-178.4	177.3	0	117.9
1226	F	26.8	Very low	24.3	Very low	207 Å²	207	149.7 Å²	149.7	91%	0.908	80%	0.801	S	S	*	*	S	Bend	trans	-138	-12.6	142	-105.5	-75.2	0	0	0	114.4
1227	F	25.3	Very low	24.6	Very low	211 Å²	211	149.1 Å²	149.1	93%	0.925	81%	0.809	S	S	*	*	S	Bend	trans	-92.7	6.8	-169.4	-112.4	-81.7	0	0	0	117
1228	N	30.1	Very low	24.8	Very low	112 Å²	112	151.8 Å²	151.8	60%	0.599	81%	0.813	S	S	*	*	S	Bend	trans	-104.2	-20.8	-174.5	-89.2	-26.1	0	0	0	115.6	M1230	N1228-M1230 VanDerWaalsContact C-N 3.34Å; N1228-M1230 PolarHBondContact O-N 2.82Å
1229	D	27.6	Very low	25	Very low	158 Å²	158	149.3 Å²	149.3	85%	0.845	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	16.2	-166.4	-63.7	-24.4	0	0	0	114.8
1230	M	22.2	Very low	25.1	Very low	188 Å²	188	150 Å²	150	93%	0.926	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.6	34.6	169.5	-70.2	-163.9	174.8	0	0	113.3	N1228 P1232	N1228-M1230 VanDerWaalsContact C-N 3.34Å; N1228-M1230 PolarHBondContact O-N 2.82Å; M1230-P1232 WeakPolarHBondContact O-CD 3.35Å
1231	K	25.5	Very low	25.3	Very low	167 Å²	167	153.5 Å²	153.5	73%	0.726	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-79.7	119	161.2	-77	-178.2	175.9	175.5	0	110.2
1232	P	25.4	Very low	25.2	Very low	123 Å²	123	151.5 Å²	151.5	80%	0.799	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-62.1	147.3	168.8	-19.8	33.4	0	0	0	110.8	M1230	M1230-P1232 WeakPolarHBondContact O-CD 3.35Å
1233	K	25.1	Very low	25.2	Very low	201 Å²	201	145.2 Å²	145.2	87%	0.874	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-70.3	145.1	174.5	-71.8	-177.8	178.1	178.9	0	110.7
1234	P	25.8	Very low	25.1	Very low	129 Å²	129	145.7 Å²	145.7	84%	0.838	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-68.5	149.2	-175.9	28.3	-35.7	0	0	0	112.8
1235	S	23.7	Very low	25.1	Very low	116 Å²	116	149.4 Å²	149.4	81%	0.811	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-76.2	135.1	175.3	50.6	0	0	0	0	112.1	G1237	S1235-G1237 PolarHBondContact O-N 2.65Å
1236	S	24.2	Very low	25.1	Very low	128 Å²	128	146.2 Å²	146.2	90%	0.895	80%	0.802	S	S	*	*	S	Bend	trans	-63.7	124.2	173.3	53	0	0	0	0	112
1237	G	26.2	Very low	25	Very low	72 Å²	72	142.3 Å²	142.3	74%	0.742	80%	0.801	S	S	*	*			trans	173	-27.1	172.7	0	0	0	0	0	116.9	S1235 P1239	S1235-G1237 PolarHBondContact O-N 2.65Å; G1237-P1239 WeakPolarHBondContact O-CD 3.4Å
1238	E	24.2	Very low	25	Very low	183 Å²	183	136 Å²	136	86%	0.855	80%	0.795	S	S	*	*			trans	-76.7	124.5	-179.5	-65.7	-169.9	146.3	0	0	111.8	V1240	E1238-V1240 PolarHBondContact O-N 3.28Å
1239	P	26	Very low	24.7	Very low	128 Å²	128	138.7 Å²	138.7	83%	0.831	81%	0.806	S	S	*	*			trans	-75	112.8	177.7	29.4	-32.8	0	0	0	110.5	G1237	G1237-P1239 WeakPolarHBondContact O-CD 3.4Å
1240	V	25.5	Very low	24.6	Very low	127 Å²	127	137.9 Å²	137.9	77%	0.77	80%	0.802	S	S	*	*			trans	-63.3	136.4	178.7	177.2	0	0	0	0	110.9	E1238 C1242	E1238-V1240 PolarHBondContact O-N 3.28Å; V1240-C1242 PolarHBondContact O-N 3.44Å; V1240-C1242 PolarHBondContact O-SG 2.84Å; V1240-C1242 VanDerWaalsContact O-SG 3.4Å
1241	W	24.2	Very low	24.8	Very low	215 Å²	215	136.9 Å²	136.9	81%	0.814	80%	0.801	S	S	*	*			trans	-66.4	88.7	176.9	-177.6	71	0	0	0	111.4	G1243	W1241-G1243 PolarHBondContact O-N 2.99Å; W1241-G1243 VanDerWaalsContact O-N 3.17Å
1242	C	23.5	Very low	24.9	Very low	109 Å²	109	134.5 Å²	134.5	74%	0.736	80%	0.802	S	S	*	*			trans	-79.3	93.9	176.2	-62.8	0	0	0	0	109.8	V1240 N1244	V1240-C1242 PolarHBondContact O-N 3.44Å; V1240-C1242 PolarHBondContact O-SG 2.84Å; V1240-C1242 VanDerWaalsContact O-SG 3.4Å; C1242-N1244 PolarHBondContact O-N 2.87Å
1243	G	24	Very low	25	Very low	47 Å²	47	136.4 Å²	136.4	49%	0.485	80%	0.8	S	S	.	*			trans	-64.6	127.8	172.9	0	0	0	0	0	111.6	W1241 H1245	W1241-G1243 PolarHBondContact O-N 2.99Å; W1241-G1243 VanDerWaalsContact O-N 3.17Å; G1243-H1245 PolarHBondContact O-N 3.43Å
1244	N	24.3	Very low	25.2	Very low	155 Å²	155	134 Å²	134	83%	0.829	80%	0.797	S	S	*	*			trans	-72.6	96.9	-178.8	-95.2	-12.7	0	0	0	112.2	C1242	C1242-N1244 PolarHBondContact O-N 2.87Å
1245	H	22.3	Very low	25.4	Very low	177 Å²	177	134.3 Å²	134.3	82%	0.819	80%	0.796	S	S	*	*			trans	23.1	97.4	144.8	-58.5	-78.5	0	0	0	118.2	G1243	G1243-H1245 PolarHBondContact O-N 3.43Å
1246	S	25.3	Very low	25.8	Very low	117 Å²	117	134.3 Å²	134.3	82%	0.818	80%	0.797	S	S	*	*			trans	-152.7	150	130.3	46.5	0	0	0	0	111.6
1247	S	24.7	Very low	26.1	Very low	125 Å²	125	133.5 Å²	133.5	87%	0.874	78%	0.78	S	S	*	*			trans	-31	128.6	-178.7	50.5	0	0	0	0	118.2
1248	G	26.1	Very low	26.8	Very low	79 Å²	79	134.1 Å²	134.1	81%	0.814	77%	0.766	S	S	*	*			trans	172	137.5	163.9	0	0	0	0	0	112.9
1249	M	22.2	Very low	27.3	Very low	169 Å²	169	129.6 Å²	129.6	83%	0.833	76%	0.755	S	S	*	*			trans	-95.4	165.1	173.4	-70.4	170.4	61.6	0	0	111.4
1250	N	26.7	Very low	27.9	Very low	141 Å²	141	131 Å²	131	75%	0.754	75%	0.748	S	S	*	*	S	Bend	trans	86.6	138.5	166.4	-51.1	-31.5	0	0	0	117.2	P1252	N1250-P1252 WeakPolarHBondContact O-CD 3.08Å
1251	N	26.5	Very low	28.5	Very low	167 Å²	167	129.9 Å²	129.9	89%	0.893	73%	0.734	S	S	*	*			trans	-70.4	133.9	-177.2	-56.8	-32.1	0	0	0	112.2
1252	P	27.8	Very low	29.2	Very low	116 Å²	116	125.5 Å²	125.5	75%	0.753	72%	0.721	S	S	*	*			trans	-108.2	121.7	153.5	14.2	6	0	0	0	110.1	N1250	N1250-P1252 WeakPolarHBondContact O-CD 3.08Å
1253	Q	26.9	Very low	29.8	Very low	164 Å²	164	122.6 Å²	122.6	77%	0.766	71%	0.705	S	S	*	*			trans	-75.3	152.6	163.6	-68.5	177.7	-104.2	0	0	110.4	T1255	Q1253-T1255 PolarHBondContact O-N 2.95Å
1254	D	29.5	Very low	30.3	Very low	149 Å²	149	125.3 Å²	125.3	80%	0.797	71%	0.708	S	S	*	*			trans	45.5	61.4	145.9	-54.8	-38.4	0	0	0	118.4
1255	T	30.7	Very low	31	Very low	136 Å²	136	125.3 Å²	125.3	83%	0.834	70%	0.697	S	S	*	*			trans	-99.6	94.7	154.2	46.1	0	0	0	0	110.7	Q1253 M1257	Q1253-T1255 PolarHBondContact O-N 2.95Å; T1255-M1257 PolarHBondContact O-N 3.44Å
1256	S	32	Very low	31.7	Very low	117 Å²	117	124.6 Å²	124.6	82%	0.818	69%	0.689	S	S	*	*			trans	-65.4	100.5	-179.1	171.4	0	0	0	0	112.4	D1258	S1256-D1258 PolarHBondContact O-N 3.18Å
1257	M	30.2	Very low	32.2	Very low	111 Å²	111	124.2 Å²	124.2	55%	0.547	68%	0.677	S	S	.	*			trans	-59.2	126.9	162.9	-107.7	-154.4	173.5	0	0	110.5	T1255 Q1261	T1255-M1257 PolarHBondContact O-N 3.44Å; M1257-Q1261 HydrophobicContact CE-CB 4.34Å; M1257-Q1261 HydrophobicContact CG-CB 4.44Å; M1257-Q1261 HydrophobicContact SD-CB 3.85Å
1258	D	39.8	Very low	32.7	Very low	85 Å²	85	125.7 Å²	125.7	46%	0.455	67%	0.667	S	S	.	*			trans	-59.4	146.9	179	173.3	38	0	0	0	112	S1256 K1260 Q1261 K1262	S1256-D1258 PolarHBondContact O-N 3.18Å; D1258-K1260 PolarHBondContact O-N 2.94Å; D1258-K1260 WeakPolarHBondContact OD2-CB 3.3Å; D1258-K1260 PolarHBondContact OD2-N 3.36Å; D1258-Q1261 PolarHBondContact O-N 2.89Å; D1258-K1262 PolarHBondContact O-N 2.86Å; D1258-K1262 VanDerWaalsContact O-N 3.11Å
1259	S	36.2	Very low	33.2	Very low	88 Å²	88	124.1 Å²	124.1	62%	0.615	65%	0.651	S	S	*	*	H	α-helix	trans	-37.9	-42.1	169.4	62.8	0	0	0	0	113.7	K1262 A1263	S1259-K1262 PolarHBondContact O-N 2.84Å; S1259-A1263 WeakPolarHBondContact O-CB 3.41Å; S1259-A1263 PolarHBondContact O-N 2.92Å
1260	K	37.6	Very low	33.6	Very low	158 Å²	158	121.4 Å²	121.4	69%	0.687	64%	0.64	S	S	*	*	H	α-helix	trans	-68.5	-34.3	-179.2	-159.2	173.6	-175.1	177.8	0	113.1	D1258 L1264	D1258-K1260 PolarHBondContact O-N 2.94Å; D1258-K1260 WeakPolarHBondContact OD2-CB 3.3Å; D1258-K1260 PolarHBondContact OD2-N 3.36Å; K1260-L1264 WeakPolarHBondContact O-CB 3.49Å; K1260-L1264 PolarHBondContact O-N 2.82Å
1261	Q	37.5	Very low	33.7	Very low	102 Å²	102	118 Å²	118	48%	0.477	63%	0.631	S	S	.	*	H	α-helix	trans	-77.1	-38.2	175.3	-71.5	179.9	-32	0	0	111.7	M1257 D1258 A1263 L1264 Y1265	M1257-Q1261 HydrophobicContact CE-CB 4.34Å; M1257-Q1261 HydrophobicContact CG-CB 4.44Å; M1257-Q1261 HydrophobicContact SD-CB 3.85Å; D1258-Q1261 PolarHBondContact O-N 2.89Å; Q1261-A1263 VanDerWaalsContact C-N 3.35Å; Q1261-L1264 PolarHBondContact O-N 2.78Å; Q1261-Y1265 PolarHBondContact O-N 2.98Å
1262	K	39	Very low	34.1	Very low	124 Å²	124	114.3 Å²	114.3	54%	0.539	62%	0.624	S	S	.	*	H	α-helix	trans	-58.9	-45.5	168.4	-82.8	179	174.6	171.6	0	111.5	D1258 S1259 L1264 Y1265 Y1266	D1258-K1262 PolarHBondContact O-N 2.86Å; D1258-K1262 VanDerWaalsContact O-N 3.11Å; S1259-K1262 PolarHBondContact O-N 2.84Å; K1262-L1264 VanDerWaalsContact C-N 3.34Å; K1262-L1264 PolarHBondContact O-N 3.35Å; K1262-Y1265 WeakPolarHBondContact O-CB 3.5Å; K1262-Y1265 PolarHBondContact O-N 3.07Å; K1262-Y1266 WeakPolarHBondContact O-CD2 3.3Å; K1262-Y1266 PolarHBondContact O-N 3.24Å
1263	A	36.5	Very low	34.2	Very low	48 Å²	48	112.6 Å²	112.6	40%	0.397	62%	0.615	S	S	.	*	H	α-helix	trans	-60.2	-41.6	174.8	0	0	0	0	0	112.1	S1259 Q1261 Y1266 L1267	S1259-A1263 WeakPolarHBondContact O-CB 3.41Å; S1259-A1263 PolarHBondContact O-N 2.92Å; Q1261-A1263 VanDerWaalsContact C-N 3.35Å; A1263-Y1266 PolarHBondContact O-N 3.1Å; A1263-L1267 WeakPolarHBondContact O-CB 3.33Å; A1263-L1267 PolarHBondContact O-N 3.01Å
1264	L	34.7	Very low	34.3	Very low	104 Å²	104	111.4 Å²	111.4	55%	0.545	61%	0.612	S	S	.	*	H	α-helix	trans	-66.2	-35.5	176.6	-143.6	83.5	0	0	0	112.9	K1260 Q1261 K1262 L1267 K1268	K1260-L1264 WeakPolarHBondContact O-CB 3.49Å; K1260-L1264 PolarHBondContact O-N 2.82Å; Q1261-L1264 PolarHBondContact O-N 2.78Å; K1262-L1264 VanDerWaalsContact C-N 3.34Å; K1262-L1264 PolarHBondContact O-N 3.35Å; L1264-L1267 PolarHBondContact O-N 3.48Å; L1264-K1268 PolarHBondContact O-N 3.21Å
1265	Y	39.6	Very low	34.2	Very low	155 Å²	155	106.4 Å²	106.4	61%	0.608	60%	0.596	S	S	*	*	H	α-helix	trans	-65	-48.6	174.4	-179.8	-99.6	0	0	0	111.3	Q1261 K1262 L1267 K1268 G1269	Q1261-Y1265 PolarHBondContact O-N 2.98Å; K1262-Y1265 WeakPolarHBondContact O-CB 3.5Å; K1262-Y1265 PolarHBondContact O-N 3.07Å; Y1265-L1267 VanDerWaalsContact C-N 3.35Å; Y1265-L1267 PolarHBondContact O-N 3.32Å; Y1265-K1268 PolarHBondContact O-N 2.88Å; Y1265-G1269 PolarHBondContact O-N 2.98Å
1266	Y	36.2	Very low	34	Very low	162 Å²	162	103.6 Å²	103.6	64%	0.635	59%	0.593	S	S	*	*	H	α-helix	trans	-63.2	-37.7	174.5	-72.5	-62.2	0	0	0	112.7	K1262 A1263 G1269 L1270	K1262-Y1266 WeakPolarHBondContact O-CD2 3.3Å; K1262-Y1266 PolarHBondContact O-N 3.24Å; A1263-Y1266 PolarHBondContact O-N 3.1Å; Y1266-G1269 PolarHBondContact O-N 3.47Å; Y1266-L1270 WeakPolarHBondContact O-CB 3.5Å; Y1266-L1270 WeakPolarHBondContact O-CG 3.43Å; Y1266-L1270 PolarHBondContact O-N 3.48Å
1267	L	35.1	Very low	33.5	Very low	109 Å²	109	105.8 Å²	105.8	57%	0.571	60%	0.595	S	S	*	*	H	α-helix	trans	-66.2	-40.6	174.7	-88.4	162	0	0	0	112.9	A1263 L1264 Y1265 L1270 A1271	A1263-L1267 WeakPolarHBondContact O-CB 3.33Å; A1263-L1267 PolarHBondContact O-N 3.01Å; L1264-L1267 PolarHBondContact O-N 3.48Å; Y1265-L1267 VanDerWaalsContact C-N 3.35Å; Y1265-L1267 PolarHBondContact O-N 3.32Å; L1267-L1270 PolarHBondContact O-N 2.98Å; L1267-A1271 WeakPolarHBondContact O-CB 3.09Å; L1267-A1271 PolarHBondContact O-N 2.67Å
1268	K	35.6	Very low	33.3	Very low	155 Å²	155	108.1 Å²	108.1	67%	0.674	61%	0.609	S	S	*	*	H	α-helix	trans	-66.2	-39.3	172.7	-83.3	-167.6	170.3	-171.4	0	112.1	L1264 Y1265 A1271 A1272	L1264-K1268 PolarHBondContact O-N 3.21Å; Y1265-K1268 PolarHBondContact O-N 2.88Å; K1268-A1271 PolarHBondContact O-N 3.23Å; K1268-A1272 WeakPolarHBondContact O-CB 3.47Å; K1268-A1272 PolarHBondContact O-N 2.88Å
1269	G	36.8	Very low	32.4	Very low	47 Å²	47	111.2 Å²	111.2	49%	0.485	63%	0.625	S	S	.	*	H	α-helix	trans	-61.5	-43	174	0	0	0	0	0	112.8	Y1265 Y1266 S1273	Y1265-G1269 PolarHBondContact O-N 2.98Å; Y1266-G1269 PolarHBondContact O-N 3.47Å; G1269-S1273 PolarHBondContact O-N 3.16Å
1270	L	30	Very low	31.8	Very low	111 Å²	111	115 Å²	115	58%	0.581	64%	0.637	S	S	*	*	H	α-helix	trans	-65.3	-46.1	174.1	-78.4	165.1	0	0	0	112	Y1266 L1267 A1272 S1273	Y1266-L1270 WeakPolarHBondContact O-CB 3.5Å; Y1266-L1270 WeakPolarHBondContact O-CG 3.43Å; Y1266-L1270 PolarHBondContact O-N 3.48Å; L1267-L1270 PolarHBondContact O-N 2.98Å; L1270-A1272 VanDerWaalsContact C-N 3.31Å; L1270-A1272 PolarHBondContact O-N 2.96Å; L1270-S1273 PolarHBondContact O-N 3.06Å; L1270-S1273 PolarHBondContact O-OG 3.3Å
1271	A	30.1	Very low	31	Very low	69 Å²	69	113.2 Å²	113.2	57%	0.57	63%	0.634	S	S	*	*	H	α-helix	trans	-60.1	-39.4	178.4	0	0	0	0	0	112.5	L1267 K1268 S1273	L1267-A1271 WeakPolarHBondContact O-CB 3.09Å; L1267-A1271 PolarHBondContact O-N 2.67Å; K1268-A1271 PolarHBondContact O-N 3.23Å; A1271-S1273 PolarHBondContact O-N 3.13Å
1272	A	34.1	Very low	30.4	Very low	90 Å²	90	115.9 Å²	115.9	74%	0.744	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-10.7	176.8	0	0	0	0	0	114.4	K1268 L1270	K1268-A1272 WeakPolarHBondContact O-CB 3.47Å; K1268-A1272 PolarHBondContact O-N 2.88Å; L1270-A1272 VanDerWaalsContact C-N 3.31Å; L1270-A1272 PolarHBondContact O-N 2.96Å
1273	S	29.8	Very low	29.7	Very low	81 Å²	81	114 Å²	114	57%	0.566	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-5.2	180	73.4	0	0	0	0	114.6	G1269 L1270 A1271	G1269-S1273 PolarHBondContact O-N 3.16Å; L1270-S1273 PolarHBondContact O-N 3.06Å; L1270-S1273 PolarHBondContact O-OG 3.3Å; A1271-S1273 PolarHBondContact O-N 3.13Å
1274	I	28.3	Very low	28.9	Very low	139 Å²	139	120 Å²	120	71%	0.713	69%	0.685	S	S	*	*			trans	-103	83	-179.3	-53.3	176.6	0	0	0	108.9
1275	G	27.5	Very low	28.4	Very low	44 Å²	44	118.6 Å²	118.6	45%	0.454	70%	0.696	S	S	.	*			trans	-74.4	126.3	178.5	0	0	0	0	0	112.3	Q221	Q221-G1275 PolarHBondContact NE2-O 3.33Å; Q221-G1275 VanDerWaalsContact NE2-O 3.08Å
1276	G	26.3	Very low	27.6	Very low	76 Å²	76	118.5 Å²	118.5	78%	0.784	71%	0.706	S	S	*	*			trans	153.1	30.2	-179.4	0	0	0	0	0	115.8
1277	I	23.5	Very low	26.9	Very low	164 Å²	164	118.6 Å²	118.6	84%	0.841	71%	0.712	S	S	*	*			trans	-130.7	109.7	165.5	-59.7	179.7	0	0	0	106.1
1278	D	25	Very low	26.2	Very low	159 Å²	159	119.5 Å²	119.5	85%	0.85	72%	0.718	S	S	*	*			trans	-71.7	147.5	172.9	-77.2	-50.2	0	0	0	110.6
1279	L	21.7	Very low	25.6	Very low	150 Å²	150	121.9 Å²	121.9	79%	0.785	73%	0.728	S	S	*	*			trans	-69.1	133.4	-174.1	-71.3	148.6	0	0	0	111.5
1280	I	22.5	Very low	24.9	Very low	169 Å²	169	127.2 Å²	127.2	87%	0.867	75%	0.745	S	S	*	*			trans	-111.1	101.1	154.4	-60.9	179.3	0	0	0	105.8
1281	D	21.6	Very low	25.4	Very low	119 Å²	119	127.2 Å²	127.2	64%	0.636	75%	0.752	S	S	*	*			trans	-70.4	147.6	173.2	-71.8	-53.6	0	0	0	111.4
1282	N	24.5	Very low	25	Very low	159 Å²	159	128.5 Å²	128.5	85%	0.85	76%	0.756	S	S	*	*			trans	147.3	107.4	154.8	-79	-46.3	0	0	0	108.1
1283	A	24.3	Very low	24.4	Very low	85 Å²	85	132.6 Å²	132.6	70%	0.702	76%	0.76	S	S	*	*				94.7	98.5	61.9	0	0	0	0	0	112.6
1284	N	20.7	Very low	24	Very low	172 Å²	172	133.3 Å²	133.3	92%	0.92	77%	0.765	S	S	*	*			trans	16.7	128.9	154.2	-51.4	-7.2	0	0	0	120.5
1285	G	24	Very low	23.7	Very low	76 Å²	76	134.9 Å²	134.9	78%	0.784	77%	0.766	S	S	*	*			trans	-175.1	131.3	160.4	0	0	0	0	0	112
1286	D	21.1	Very low	23.5	Very low	153 Å²	153	142.9 Å²	142.9	82%	0.818	79%	0.785	S	S	*	*			trans	-92.5	178.1	-177.3	-71	-69.9	0	0	0	113.8
1287	H	22.7	Very low	23.3	Very low	163 Å²	163	143.5 Å²	143.5	76%	0.755	78%	0.777	S	S	*	*			trans	88.9	102.5	163.3	-63.9	-68.1	0	0	0	121.1
1288	D	19.9	Very low	23.3	Very low	129 Å²	129	142.9 Å²	142.9	69%	0.69	78%	0.775	S	S	*	*				63	156	117.1	-61.5	-51	0	0	0	124.3
1289	F	22.5	Very low	23.2	Very low	204 Å²	204	143.1 Å²	143.1	90%	0.895	78%	0.777	S	S	*	*			trans	93.1	125	164.3	-73.9	-82.7	0	0	0	122.1
1290	L	23.7	Very low	23.6	Very low	159 Å²	159	142 Å²	142	83%	0.832	78%	0.778	S	S	*	*			trans	-80.1	-175.5	157.8	-61.8	161.8	0	0	0	109.2
1291	P	40.4	Very low	23.6	Very low	112 Å²	112	142.4 Å²	142.4	73%	0.727	78%	0.777	S	S	*	*			cis	-145.7	-162.3	8.9	41	-18	0	0	0	116.7
1292	S	21.4	Very low	23.5	Very low	96 Å²	96	145.3 Å²	145.3	67%	0.671	79%	0.788	S	S	*	*			trans	89	98.5	139.4	60.7	0	0	0	0	123.7
1293	E	21.7	Very low	23.6	Very low	176 Å²	176	141.6 Å²	141.6	82%	0.822	79%	0.788	S	S	*	*				62	113	112.8	-66.1	-171	156.6	0	0	125.3
1294	S	20.3	Very low	23.5	Very low	95 Å²	95	143.4 Å²	143.4	66%	0.664	80%	0.796	S	S	*	*				76.8	140.6	124.4	80.8	0	0	0	0	122.2
1295	K	23.5	Very low	23.5	Very low	172 Å²	172	144.5 Å²	144.5	75%	0.748	79%	0.792	S	S	*	*				177.6	134.8	113.4	-97.6	167.3	-175.7	168.4	0	116.6
1296	Y	23.3	Very low	23.5	Very low	213 Å²	213	147.2 Å²	147.2	84%	0.835	79%	0.793	S	S	*	*			trans	66.7	170	150.5	-68	-58.5	0	0	0	123
1297	S	20.2	Very low	23.4	Very low	88 Å²	88	147.1 Å²	147.1	62%	0.615	79%	0.793	S	S	*	*			trans	-151.3	166.8	-149	55.9	0	0	0	0	112.5
1298	N	24	Very low	23.4	Very low	152 Å²	152	149.8 Å²	149.8	81%	0.813	80%	0.797	S	S	*	*				171.7	152.6	121.8	-83.2	-11.7	0	0	0	113.3
1299	N	24.3	Very low	23.4	Very low	164 Å²	164	154.3 Å²	154.3	88%	0.877	81%	0.806	S	S	*	*			trans	-118.6	150.4	175.4	-87.4	-26.6	0	0	0	110.9
1300	P	28.8	Very low	23.7	Very low	127 Å²	127	149.5 Å²	149.5	83%	0.825	80%	0.796	S	S	*	*			trans	-109.7	150.8	157.7	2.7	19	0	0	0	114.3
1301	Q	22.7	Very low	23.5	Very low	177 Å²	177	150.8 Å²	150.8	83%	0.827	80%	0.798	S	S	*	*			trans	-79	-177.9	174	-67	162.7	-16.8	0	0	111.5
1302	M	19.8	Very low	22.5	Very low	179 Å²	179	153.4 Å²	153.4	88%	0.882	80%	0.8	S	S	*	*			cis	-166.5	161.9	-27.9	-99.6	172.8	68.4	0	0	106.1
1303	G	25.9	Very low	22.4	Very low	82 Å²	82	155.4 Å²	155.4	85%	0.845	80%	0.803	S	S	*	*			trans	-166.2	142	174.9	0	0	0	0	0	114.4
1304	S	22.7	Very low	22.3	Very low	123 Å²	123	152.5 Å²	152.5	86%	0.86	80%	0.797	S	S	*	*			trans	-96.3	161.9	-165.7	-165.5	0	0	0	0	116.1
1305	K	19.8	Very low	22.2	Very low	194 Å²	194	157.8 Å²	157.8	84%	0.843	80%	0.804	S	S	*	*			trans	-64.6	151.6	175.7	-49.3	160.8	-177.9	169.8	0	112.7
1306	V	25.7	Very low	22	Very low	133 Å²	133	157 Å²	157	81%	0.806	80%	0.803	S	S	*	*			trans	-140.2	140.9	139.7	-178.6	0	0	0	0	108.3
1307	N	18	Very low	21.8	Very low	152 Å²	152	151.4 Å²	151.4	81%	0.813	80%	0.795	S	S	*	*			trans	-120.7	132.7	171.3	-91.9	-17.7	0	0	0	108.7
1308	Y	22.5	Very low	21.9	Very low	218 Å²	218	155.9 Å²	155.9	86%	0.855	81%	0.806	S	S	*	*			trans	-151.7	132.8	155.2	-99.6	-74.5	0	0	0	111.3
1309	Y	21	Very low	21.8	Very low	224 Å²	224	154.7 Å²	154.7	88%	0.878	80%	0.804	S	S	*	*			trans	-124.7	147.3	157.4	-93.6	-92.7	0	0	0	104.3
1310	P	28.1	Very low	21.6	Very low	104 Å²	104	155.1 Å²	155.1	68%	0.675	80%	0.799	S	S	*	*				-156.4	-175.4	88.9	42.8	-23.9	0	0	0	116.7
1311	Q	20.1	Very low	21.2	Very low	186 Å²	186	155.9 Å²	155.9	87%	0.869	80%	0.795	S	S	*	*			trans	81.3	160.2	151.7	-84.8	170	-19.6	0	0	120.5
1312	E	17.8	Very low	21.1	Very low	167 Å²	167	159.3 Å²	159.3	78%	0.78	80%	0.801	S	S	*	*			trans	-136.2	-179.5	-152.4	-56.8	175.8	126	0	0	111.2
1313	N	19.9	Very low	21.1	Very low	138 Å²	138	160.4 Å²	160.4	74%	0.738	80%	0.801	S	S	*	*			trans	88.7	126.9	152	-66.2	-42.8	0	0	0	121.2
1314	V	19.2	Very low	21	Very low	115 Å²	115	163.4 Å²	163.4	70%	0.697	80%	0.803	S	S	*	*			trans	88.7	92.9	130.8	165.8	0	0	0	0	120.4
1315	Y	18.8	Very low	20.9	Very low	205 Å²	205	164.8 Å²	164.8	80%	0.804	80%	0.798	S	S	*	*			trans	68.7	143.3	135.1	-73.7	-89.1	0	0	0	125.4
1316	H	20.1	Very low	20.8	Very low	156 Å²	156	159.6 Å²	159.6	72%	0.722	79%	0.787	S	S	*	*			trans	66.2	99.6	147.4	-89.1	-68.2	0	0	0	124.2
1317	S	19.1	Very low	20.7	Very low	95 Å²	95	159 Å²	159	66%	0.664	79%	0.785	S	S	*	*				76.9	163.9	127.4	75.7	0	0	0	0	120.9
1318	Q	20.9	Very low	20.9	Very low	182 Å²	182	159.8 Å²	159.8	85%	0.85	78%	0.784	S	S	*	*			trans	71.4	145.6	-178.7	-49	-171.7	15.9	0	0	114.3
1319	V	21.9	Very low	20.7	Very low	128 Å²	128	161.1 Å²	161.1	78%	0.776	79%	0.788	S	S	*	*			cis	-146.4	173.6	-5	101.3	0	0	0	0	112.1
1320	F	20.8	Very low	20.8	Very low	173 Å²	173	156.4 Å²	156.4	76%	0.759	78%	0.784	S	S	*	*			trans	-57.3	160.4	-175.8	-85	-96.5	0	0	0	118.3
1321	N	20.7	Very low	20.4	Very low	142 Å²	142	159 Å²	159	76%	0.759	79%	0.793	S	S	*	*			trans	62.8	113.1	145.6	-67.6	-23.2	0	0	0	120.6
1322	R	20.8	Very low	20.6	Very low	250 Å²	250	159.7 Å²	159.7	94%	0.943	80%	0.796	S	S	*	*			trans	-124.3	120.3	140.5	-88	-170.9	169.5	-171.7	-2.9	110.7
1323	K	19.8	Very low	20.6	Very low	201 Å²	201	159.2 Å²	159.2	87%	0.874	80%	0.795	S	S	*	*			trans	-73.2	143.3	167.6	-63.8	177.6	178.4	179.2	0	109.8
1324	V	22.5	Very low	20.7	Very low	146 Å²	146	160.9 Å²	160.9	89%	0.885	80%	0.803	S	S	*	*			trans	-134.3	148.9	153.4	-175.8	0	0	0	0	107.2
1325	I	20.5	Very low	20.7	Very low	151 Å²	151	162 Å²	162	77%	0.774	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-103.3	147.9	-156.6	-65.3	163.8	0	0	0	112
1326	S	18.6	Very low	20.8	Very low	85 Å²	85	157.9 Å²	157.9	59%	0.594	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-84.9	132.9	177.9	55.4	0	0	0	0	113.8
1327	P	22.8	Very low	20.9	Very low	120 Å²	120	156.5 Å²	156.5	78%	0.779	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-75.7	141.5	158.6	-8	25.8	0	0	0	110.7
1328	H	22.2	Very low	20.9	Very low	170 Å²	170	162.9 Å²	162.9	79%	0.787	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-81.4	156.6	178.2	-69.6	10.5	0	0	0	112.8
1329	W	19.1	Very low	20.9	Very low	246 Å²	246	161.3 Å²	161.3	93%	0.932	81%	0.808	S	S	*	*			trans	-119.1	135.6	162.9	-82.9	49.4	0	0	0	108.6
1330	P	23.3	Very low	20.8	Very low	124 Å²	124	163.6 Å²	163.6	81%	0.805	81%	0.81	S	S	*	*			trans	-85.3	143.4	179.3	33.3	-33.4	0	0	0	112.3
1331	N	20.5	Very low	20.8	Very low	159 Å²	159	163.2 Å²	163.2	85%	0.85	81%	0.814	S	S	*	*			trans	-78.9	149.4	170.8	-61.6	-38.5	0	0	0	111
1332	Q	22.7	Very low	21	Very low	201 Å²	201	161.5 Å²	161.5	94%	0.939	81%	0.811	S	S	*	*			trans	-144.4	136.5	148.1	-116.7	170.7	6.7	0	0	110.5
1333	M	18.3	Very low	20.9	Very low	156 Å²	156	156.2 Å²	156.2	77%	0.768	81%	0.806	S	S	*	*			trans	-82.4	156.2	178.9	-61.2	151	57.9	0	0	110.2
1334	L	22.4	Very low	21	Very low	173 Å²	173	152 Å²	152	91%	0.906	80%	0.802	S	S	*	*			trans	-160.7	155	133.3	-110.8	165.1	0	0	0	111.5
1335	E	19.6	Very low	21.3	Very low	139 Å²	139	149.9 Å²	149.9	65%	0.65	79%	0.791	S	S	*	*			trans	-111	152.2	-154.9	-60.9	170.9	115.9	0	0	113.7
1336	T	20.9	Very low	21.3	Very low	118 Å²	118	153 Å²	153	72%	0.724	79%	0.793	S	S	*	*			trans	71.5	151.8	144.6	66.9	0	0	0	0	122.5
1337	N	21	Very low	21.5	Very low	128 Å²	128	160 Å²	160	68%	0.684	81%	0.808	S	S	*	*			trans	73.9	106.1	147.2	-71.7	-39.8	0	0	0	121.6
1338	R	18.8	Very low	21.5	Very low	229 Å²	229	161.8 Å²	161.8	86%	0.864	81%	0.806	S	S	*	*				37	110.3	121.9	-61.4	179	177.5	-173.5	0.7	118.4
1339	T	22.5	Very low	21.7	Very low	149 Å²	149	160.3 Å²	160.3	91%	0.914	80%	0.804	S	S	*	*				-160	163.5	116.9	15.2	0	0	0	0	111.1
1340	E	19.6	Very low	22.1	Very low	176 Å²	176	153.5 Å²	153.5	82%	0.822	79%	0.791	S	S	*	*			trans	-95	-170	175	-60.1	-176.9	122.9	0	0	111.6
1341	I	21	Very low	22.1	Very low	165 Å²	165	157.8 Å²	157.8	85%	0.846	79%	0.791	S	S	*	*			trans	67.2	155.9	169.4	23.4	-177.8	0	0	0	116.2
1342	P	23.5	Very low	22.3	Very low	106 Å²	106	158 Å²	158	69%	0.688	79%	0.792	S	S	*	*				-136.3	169.1	-114.6	42.8	-25	0	0	0	117.3
1343	V	20.2	Very low	22.3	Very low	138 Å²	138	157.7 Å²	157.7	84%	0.836	79%	0.79	S	S	*	*			trans	45.4	105.5	152.8	180	0	0	0	0	117.4
1344	S	22	Very low	22.7	Very low	113 Å²	113	156.7 Å²	156.7	79%	0.79	79%	0.793	S	S	*	*			trans	-133.7	151.8	137.3	62.9	0	0	0	0	110.1
1345	P	27	Very low	23.1	Very low	101 Å²	101	153.6 Å²	153.6	66%	0.656	78%	0.783	S	S	*	*			trans	-107.4	-161.7	-173.9	27.9	-9.8	0	0	0	112.7
1346	W	20.6	Very low	23.3	Very low	218 Å²	218	155.2 Å²	155.2	83%	0.826	80%	0.796	S	S	*	*			trans	81.4	106.4	174.8	-56.1	71.4	0	0	0	116.1
1347	Y	23.3	Very low	23.3	Very low	232 Å²	232	152.6 Å²	152.6	91%	0.91	79%	0.793	S	S	*	*				-154.9	147.2	99.2	-120.8	-88.6	0	0	0	111
1348	H	22.9	Very low	23.4	Very low	156 Å²	156	155 Å²	155	72%	0.722	81%	0.805	S	S	*	*			trans	-107.9	142.4	176.8	-84.2	-93.3	0	0	0	110.9
1349	D	26.9	Very low	23.5	Very low	140 Å²	140	149.4 Å²	149.4	75%	0.749	80%	0.801	S	S	*	*			trans	-118	100.4	156	-174	-4.3	0	0	0	109.6	R1351	D1349-R1351 PolarHBondContact O-N 3.35Å
1350	P	26.1	Very low	23.5	Very low	103 Å²	103	151.8 Å²	151.8	67%	0.669	80%	0.801	S	S	*	*			trans	-102.2	45.6	-165.6	39.9	-36.6	0	0	0	113.9
1351	R	24.4	Very low	23.7	Very low	213 Å²	213	148.6 Å²	148.6	80%	0.804	80%	0.799	S	S	*	*	S	Bend	trans	-120.7	-3.2	-176.2	-63.5	-168.6	-174.9	-176.9	4.8	117.8	D1349	D1349-R1351 PolarHBondContact O-N 3.35Å
1352	L	24.4	Very low	23.7	Very low	165 Å²	165	148.5 Å²	148.5	86%	0.864	80%	0.799	S	S	*	*	S	Bend	trans	-133.7	25.4	-173	-69.9	174.2	0	0	0	116.2
1353	Q	22.3	Very low	23.5	Very low	193 Å²	193	146.3 Å²	146.3	90%	0.902	80%	0.796	S	S	*	*			trans	-142.1	93.1	169	-69.3	-167	15.5	0	0	113.2
1354	V	27.2	Very low	23.6	Very low	135 Å²	135	146.8 Å²	146.8	82%	0.818	79%	0.794	S	S	*	*			trans	-154.3	139.8	174.8	-170.9	0	0	0	0	108.9
1355	P	30.4	Very low	23.6	Very low	108 Å²	108	151.3 Å²	151.3	70%	0.701	80%	0.799	S	S	*	*			cis	-127.4	140.2	-28.5	35	-19	0	0	0	113.3
1356	N	23.4	Very low	23.3	Very low	173 Å²	173	154 Å²	154	93%	0.925	81%	0.808	S	S	*	*			trans	-88.1	105.1	151.2	-85.4	-31.1	0	0	0	107.5
1357	G	22.6	Very low	23.4	Very low	64 Å²	64	151.4 Å²	151.4	66%	0.66	81%	0.81	S	S	*	*			trans	-75.2	170.3	177.4	0	0	0	0	0	113.6
1358	L	22	Very low	23.3	Very low	178 Å²	178	143.4 Å²	143.4	93%	0.932	80%	0.798	S	S	*	*	S	Bend	trans	74	49.6	172.7	-50.8	179.3	0	0	0	117.1
1359	S	20.4	Very low	23.3	Very low	111 Å²	111	146.1 Å²	146.1	78%	0.776	81%	0.809	S	S	*	*	S	Bend	trans	-145.4	42.2	155.6	74	0	0	0	0	114.2
1360	Q	22.8	Very low	23.1	Very low	199 Å²	199	150.8 Å²	150.8	93%	0.93	82%	0.816	S	S	*	*			trans	-160.3	73.6	170.7	-119.7	167.9	45.2	0	0	112.9
1361	S	23.3	Very low	23	Very low	110 Å²	110	151 Å²	151	77%	0.769	82%	0.818	S	S	*	*			trans	-155	51.8	168	66.7	0	0	0	0	111.4
1362	L	21.3	Very low	22.9	Very low	162 Å²	162	147.1 Å²	147.1	85%	0.848	82%	0.82	S	S	*	*			trans	-163	69.3	168.6	-110.1	163.5	0	0	0	108.9
1363	G	20.5	Very low	22.9	Very low	60 Å²	60	144 Å²	144	62%	0.619	81%	0.811	S	S	*	*			trans	-73.3	169.7	152.6	0	0	0	0	0	110
1364	D	21.8	Very low	23	Very low	149 Å²	149	142.3 Å²	142.3	80%	0.797	81%	0.809	S	S	*	*			trans	53.1	74.8	161.2	-55.4	-25.1	0	0	0	118.1
1365	F	22.6	Very low	22.8	Very low	208 Å²	208	140.6 Å²	140.6	91%	0.912	81%	0.809	S	S	*	*			trans	-137.6	66.3	134.2	-92.4	-63.3	0	0	0	111.9	N1367	F1365-N1367 PolarHBondContact O-N 3.12Å; F1365-N1367 VanDerWaalsContact O-N 3.16Å
1366	N	20	Very low	22.5	Very low	156 Å²	156	141.3 Å²	141.3	83%	0.834	81%	0.813	S	S	*	*			trans	-79.9	86.2	169.8	-137.1	-4.2	0	0	0	109.1
1367	N	22.2	Very low	22.5	Very low	164 Å²	164	137.9 Å²	137.9	88%	0.877	80%	0.803	S	S	*	*			trans	-175.2	134.5	151.2	-99.3	-36.7	0	0	0	114.2	F1365	F1365-N1367 PolarHBondContact O-N 3.12Å; F1365-N1367 VanDerWaalsContact O-N 3.16Å
1368	G	21.9	Very low	22.5	Very low	64 Å²	64	143.4 Å²	143.4	66%	0.66	82%	0.816	S	S	*	*			trans	96.1	39.5	131.8	0	0	0	0	0	121.4
1369	F	22.5	Very low	22.5	Very low	214 Å²	214	139.2 Å²	139.2	94%	0.939	80%	0.802	S	S	*	*			trans	-130.1	101.4	149.6	-88.6	-71.7	0	0	0	112.3	P1371	F1369-P1371 WeakPolarHBondContact O-CD 3.38Å
1370	R	22.2	Very low	22.8	Very low	237 Å²	237	145.5 Å²	145.5	89%	0.894	81%	0.809	S	S	*	*			trans	-93.1	109.8	179.6	-170.2	-176.2	-165	-175.2	5.7	108.7
1371	P	24.1	Very low	22.8	Very low	109 Å²	109	143.3 Å²	143.3	71%	0.708	80%	0.803	S	S	*	*			trans	-63.6	148.6	179.5	-20.6	33.5	0	0	0	111.2	F1369 S1373	F1369-P1371 WeakPolarHBondContact O-CD 3.38Å; P1371-S1373 PolarHBondContact O-N 3.45Å; P1371-S1373 VanDerWaalsContact O-N 3.14Å
1372	P	23.6	Very low	23.1	Very low	131 Å²	131	142.6 Å²	142.6	85%	0.851	79%	0.79	S	S	*	*			trans	-67.7	114.3	-172.6	26	-34.1	0	0	0	111.9	N1374	P1372-N1374 PolarHBondContact O-N 2.62Å; P1372-N1374 VanDerWaalsContact O-N 3.12Å
1373	S	23.6	Very low	23.7	Very low	98 Å²	98	140.8 Å²	140.8	69%	0.685	78%	0.78	S	S	*	*			trans	-72.7	97.1	170.1	53.6	0	0	0	0	110.4	P1371	P1371-S1373 PolarHBondContact O-N 3.45Å; P1371-S1373 VanDerWaalsContact O-N 3.14Å
1374	N	25	Very low	24.2	Very low	159 Å²	159	142.6 Å²	142.6	85%	0.85	78%	0.775	S	S	*	*			trans	-173	63.5	153.1	-94.7	-18.2	0	0	0	111.7	P1372 P1376	P1372-N1374 PolarHBondContact O-N 2.62Å; P1372-N1374 VanDerWaalsContact O-N 3.12Å; N1374-P1376 WeakPolarHBondContact O-CD 3.21Å
1375	A	22.4	Very low	24.7	Very low	99 Å²	99	140.9 Å²	140.9	82%	0.818	76%	0.763	S	S	*	*			trans	-105.8	93.3	162.1	0	0	0	0	0	107.9	S1377	A1375-S1377 PolarHBondContact O-N 3.12Å
1376	P	25.2	Very low	25.1	Very low	122 Å²	122	136.9 Å²	136.9	79%	0.792	75%	0.75	S	S	*	*			trans	-67.5	130.3	-172.6	26.4	-33.8	0	0	0	111.2	N1374 L1378	N1374-P1376 WeakPolarHBondContact O-CD 3.21Å; P1376-L1378 PolarHBondContact O-N 3.35Å
1377	S	23.6	Very low	25.8	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	73%	0.734	S	S	*	*			trans	-69	119.7	-179.3	35.9	0	0	0	0	111.5	A1375 S1379	A1375-S1377 PolarHBondContact O-N 3.12Å; S1377-S1379 PolarHBondContact O-N 2.83Å; S1377-S1379 PolarHBondContact O-OG 2.79Å
1378	L	21.4	Very low	26.3	Very low	179 Å²	179	132.8 Å²	132.8	94%	0.937	72%	0.724	S	S	*	*			trans	-54.2	98.9	174.9	-76.5	166.1	0	0	0	110.8	P1376	P1376-L1378 PolarHBondContact O-N 3.35Å
1379	S	23.2	Very low	26.9	Very low	90 Å²	90	132.6 Å²	132.6	63%	0.629	71%	0.71	S	S	*	*			trans	-143.7	127.4	-178.7	50.8	0	0	0	0	109.3	S1377	S1377-S1379 PolarHBondContact O-N 2.83Å; S1377-S1379 PolarHBondContact O-OG 2.79Å
1380	R	24.9	Very low	27.7	Very low	243 Å²	243	125.8 Å²	125.8	92%	0.917	69%	0.693	S	S	*	*			trans	54.2	73.7	176.2	-57.8	178.4	178.7	173.8	-1.5	114.9	N1382	R1380-N1382 PolarHBondContact O-N 3.31Å
1381	L	24.2	Very low	28.5	Very low	154 Å²	154	121.3 Å²	121.3	81%	0.806	69%	0.687	S	S	*	*			trans	-61.8	122.6	149.4	-82.6	167.6	0	0	0	107.8
1382	N	29.9	Very low	29.1	Very low	95 Å²	95	119.9 Å²	119.9	51%	0.508	67%	0.673	S	S	.	*			trans	-83.2	144.4	-173.2	-172	28.1	0	0	0	111.2	R1380 D1384 Q1385	R1380-N1382 PolarHBondContact O-N 3.31Å; N1382-D1384 PolarHBondContact ND2-OD2 2.96Å; N1382-D1384 PolarHBondContact O-N 3.23Å; N1382-Q1385 PolarHBondContact O-N 3.2Å
1383	I	32.7	Very low	29.6	Very low	123 Å²	123	120.5 Å²	120.5	63%	0.631	66%	0.659	S	S	*	*	H	α-helix	trans	-62.2	-30.7	-172.3	-67.6	173.4	0	0	0	111.7	Q1385 L1386 N1387	I1383-Q1385 VanDerWaalsContact C-N 3.31Å; I1383-Q1385 PolarHBondContact O-N 3.21Å; I1383-L1386 WeakPolarHBondContact O-CA 3.21Å; I1383-L1386 WeakPolarHBondContact O-CB 3.38Å; I1383-L1386 PolarHBondContact O-N 3.49Å; I1383-N1387 PolarHBondContact O-N 3.29Å
1384	D	32.2	Very low	30.4	Very low	98 Å²	98	123.8 Å²	123.8	52%	0.524	66%	0.661	S	S	.	*	H	α-helix	trans	-60.7	-36.9	179.9	-53.6	-49.7	0	0	0	112.8	N1382 L1386 N1387 E1388	N1382-D1384 PolarHBondContact ND2-OD2 2.96Å; N1382-D1384 PolarHBondContact O-N 3.23Å; D1384-L1386 VanDerWaalsContact C-N 3.27Å; D1384-L1386 PolarHBondContact O-N 3.31Å; D1384-N1387 PolarHBondContact O-N 3.44Å; D1384-E1388 PolarHBondContact O-N 3.04Å
1385	Q	30.6	Very low	31.3	Very low	114 Å²	114	123 Å²	123	53%	0.533	65%	0.652	S	S	.	*	H	α-helix	trans	-69.8	-23.8	174.7	-74.4	-171.2	-27.4	0	0	112.9	N1382 I1383 T1389	N1382-Q1385 PolarHBondContact O-N 3.2Å; I1383-Q1385 VanDerWaalsContact C-N 3.31Å; I1383-Q1385 PolarHBondContact O-N 3.21Å; Q1385-T1389 WeakPolarHBondContact O-CB 3.45Å; Q1385-T1389 WeakPolarHBondContact O-CG2 3.47Å; Q1385-T1389 PolarHBondContact O-N 3.38Å; Q1385-T1389 PolarHBondContact O-OG1 3.03Å
1386	L	31.1	Very low	32.1	Very low	124 Å²	124	123.5 Å²	123.5	65%	0.649	63%	0.633	S	S	*	*	H	α-helix	trans	-69.9	-37.4	172.1	-147	93.6	0	0	0	110.7	I1383 D1384 T1389 A1390	I1383-L1386 WeakPolarHBondContact O-CA 3.21Å; I1383-L1386 WeakPolarHBondContact O-CB 3.38Å; I1383-L1386 PolarHBondContact O-N 3.49Å; D1384-L1386 VanDerWaalsContact C-N 3.27Å; D1384-L1386 PolarHBondContact O-N 3.31Å; L1386-T1389 WeakPolarHBondContact CA-OG1 3.46Å; L1386-T1389 PolarHBondContact O-OG1 2.96Å; L1386-A1390 WeakPolarHBondContact O-CB 3.23Å; L1386-A1390 PolarHBondContact O-N 3.38Å
1387	N	34.8	Very low	32.7	Very low	93 Å²	93	125 Å²	125	50%	0.497	62%	0.623	S	S	.	*	H	α-helix	trans	-71.5	-39.2	175.9	-71.7	-29.5	0	0	0	112.3	I1383 D1384 A1390 N1391	I1383-N1387 PolarHBondContact O-N 3.29Å; D1384-N1387 PolarHBondContact O-N 3.44Å; N1387-A1390 PolarHBondContact O-N 3.44Å; N1387-N1391 PolarHBondContact O-N 2.77Å; N1387-N1391 PolarHBondContact O-ND2 2.9Å; N1387-N1391 VanDerWaalsContact O-ND2 3.12Å
1388	E	34.3	Very low	33.4	Very low	141 Å²	141	126.4 Å²	126.4	66%	0.659	62%	0.62	S	S	*	*	H	α-helix	trans	-65.4	-42.4	173.2	-70	-170.8	138.7	0	0	112.3	D1384 A1390 N1391 D1392	D1384-E1388 PolarHBondContact O-N 3.04Å; E1388-A1390 VanDerWaalsContact C-N 3.32Å; E1388-A1390 PolarHBondContact O-N 3.2Å; E1388-N1391 PolarHBondContact O-N 2.76Å; E1388-N1391 VanDerWaalsContact O-N 3.15Å; E1388-D1392 PolarHBondContact O-N 2.92Å
1389	T	34	Very low	34.5	Very low	60 Å²	60	121 Å²	121	37%	0.368	60%	0.597	S	S	.	*	H	α-helix	trans	-71.4	-23.3	177.9	50.2	0	0	0	0	113.8	Q1385 L1386 W1393 Y1396	Q1385-T1389 WeakPolarHBondContact O-CB 3.45Å; Q1385-T1389 WeakPolarHBondContact O-CG2 3.47Å; Q1385-T1389 PolarHBondContact O-N 3.38Å; Q1385-T1389 PolarHBondContact O-OG1 3.03Å; L1386-T1389 WeakPolarHBondContact CA-OG1 3.46Å; L1386-T1389 PolarHBondContact O-OG1 2.96Å; T1389-W1393 PolarHBondContact O-N 3.09Å; T1389-Y1396 HydrophobicContact CG2-CD2 4.38Å
1390	A	39.9	Very low	35.3	Very low	70 Å²	70	121.3 Å²	121.3	58%	0.579	59%	0.591	S	S	*	*	H	α-helix	trans	-68.3	-39.3	167.1	0	0	0	0	0	112.2	L1386 N1387 E1388	L1386-A1390 WeakPolarHBondContact O-CB 3.23Å; L1386-A1390 PolarHBondContact O-N 3.38Å; N1387-A1390 PolarHBondContact O-N 3.44Å; E1388-A1390 VanDerWaalsContact C-N 3.32Å; E1388-A1390 PolarHBondContact O-N 3.2Å
1391	N	36.9	Very low	35.6	Very low	144 Å²	144	114.2 Å²	114.2	77%	0.77	57%	0.571	S	S	*	*	H	α-helix	trans	-73.3	-34	-174.8	-76.9	-36.4	0	0	0	114.3	N1387 E1388	N1387-N1391 PolarHBondContact O-N 2.77Å; N1387-N1391 PolarHBondContact O-ND2 2.9Å; N1387-N1391 VanDerWaalsContact O-ND2 3.12Å; E1388-N1391 PolarHBondContact O-N 2.76Å; E1388-N1391 VanDerWaalsContact O-N 3.15Å
1392	D	38	Very low	36.2	Very low	78 Å²	78	108 Å²	108	42%	0.417	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	54.4	172.1	-151.5	-24.8	0	0	0	113.6	E1388 K1394 Q1395 Y1396	E1388-D1392 PolarHBondContact O-N 2.92Å; D1392-K1394 PolarHBondContact O-N 2.88Å; D1392-K1394 WeakPolarHBondContact OD1-CB 3.43Å; D1392-K1394 PolarHBondContact OD1-N 3.15Å; D1392-Q1395 HydrophobicContact CB-CB 4.49Å; D1392-Q1395 PolarHBondContact O-N 2.76Å; D1392-Q1395 PolarHBondContact OD1-N 3.21Å; D1392-Y1396 PolarHBondContact O-N 3.05Å
1393	W	33.2	Very low	36.6	Very low	145 Å²	145	109.3 Å²	109.3	55%	0.549	55%	0.547	S	S	.	.	H	α-helix	trans	-48.6	-24.7	168.8	176.4	-118.8	0	0	0	113.6	T1389 Y1396 R1397	T1389-W1393 PolarHBondContact O-N 3.09Å; W1393-Y1396 AromaticContact CE3-CD1 3.68Å; W1393-Y1396 HydrophobicContact CE3-CD1 3.68Å; W1393-Y1396 HydrophobicContact CE3-CE1 4.4Å; W1393-Y1396 HydrophobicContact CE3-CG 4.37Å; W1393-Y1396 HydrophobicContact CH2-CD1 4.24Å; W1393-Y1396 HydrophobicContact CH2-CE1 4.33Å; W1393-Y1396 AromaticContact CZ3-CD1 3.41Å; W1393-Y1396 HydrophobicContact CZ3-CD1 3.41Å; W1393-Y1396 VanDerWaalsContact CZ3-CD1 3.41Å; W1393-Y1396 AromaticContact CZ3-CE1 3.68Å; W1393-Y1396 HydrophobicContact CZ3-CE1 3.68Å; W1393-Y1396 HydrophobicContact CZ3-CG 4.44Å; W1393-R1397 VanDerWaalsContact O-CB 3.24Å; W1393-R1397 WeakPolarHBondContact O-CB 3.41Å; W1393-R1397 PolarHBondContact O-N 2.84Å
1394	K	41.4	Very low	36.5	Very low	167 Å²	167	105.3 Å²	105.3	73%	0.726	54%	0.537	S	S	*	.	H	α-helix	trans	-71.8	-43.1	178.6	-165.2	-178.4	-179.4	-172.9	0	111.5	D1392 M1398	D1392-K1394 PolarHBondContact O-N 2.88Å; D1392-K1394 WeakPolarHBondContact OD1-CB 3.43Å; D1392-K1394 PolarHBondContact OD1-N 3.15Å; K1394-M1398 WeakPolarHBondContact O-CB 3.41Å; K1394-M1398 VanDerWaalsContact O-CG 3.27Å; K1394-M1398 WeakPolarHBondContact O-CG 3.28Å; K1394-M1398 PolarHBondContact O-N 2.92Å; K1394-M1398 VanDerWaalsContact O-N 3.09Å
1395	Q	42.8	Very low	36.4	Very low	141 Å²	141	104.9 Å²	104.9	66%	0.659	53%	0.534	S	S	*	.	H	α-helix	trans	-62.7	-46.6	169.4	-92.9	-166	6.9	0	0	111.8	D1392 R1397 M1398 S1399	D1392-Q1395 HydrophobicContact CB-CB 4.49Å; D1392-Q1395 PolarHBondContact O-N 2.76Å; D1392-Q1395 PolarHBondContact OD1-N 3.21Å; Q1395-R1397 VanDerWaalsContact C-N 3.33Å; Q1395-R1397 PolarHBondContact O-N 3.26Å; Q1395-M1398 PolarHBondContact O-N 3.43Å; Q1395-M1398 VanDerWaalsContact O-N 3.16Å; Q1395-S1399 PolarHBondContact O-N 3.02Å
1396	Y	40.2	Very low	36.4	Very low	110 Å²	110	103.8 Å²	103.8	43%	0.431	53%	0.531	S	S	.	.	H	α-helix	trans	-56.8	-46.7	178.9	-177.8	-96	0	0	0	111.8	T1389 D1392 W1393 M1398 S1399 L1400	T1389-Y1396 HydrophobicContact CG2-CD2 4.38Å; D1392-Y1396 PolarHBondContact O-N 3.05Å; W1393-Y1396 AromaticContact CE3-CD1 3.68Å; W1393-Y1396 HydrophobicContact CE3-CD1 3.68Å; W1393-Y1396 HydrophobicContact CE3-CE1 4.4Å; W1393-Y1396 HydrophobicContact CE3-CG 4.37Å; W1393-Y1396 HydrophobicContact CH2-CD1 4.24Å; W1393-Y1396 HydrophobicContact CH2-CE1 4.33Å; W1393-Y1396 AromaticContact CZ3-CD1 3.41Å; W1393-Y1396 HydrophobicContact CZ3-CD1 3.41Å; W1393-Y1396 VanDerWaalsContact CZ3-CD1 3.41Å; W1393-Y1396 AromaticContact CZ3-CE1 3.68Å; W1393-Y1396 HydrophobicContact CZ3-CE1 3.68Å; W1393-Y1396 HydrophobicContact CZ3-CG 4.44Å; Y1396-M1398 PolarHBondContact O-N 2.83Å; Y1396-S1399 WeakPolarHBondContact O-CB 3.32Å; Y1396-S1399 PolarHBondContact O-N 2.95Å; Y1396-L1400 PolarHBondContact O-N 3.28Å
1397	R	37.2	Very low	36.6	Very low	153 Å²	153	106.3 Å²	106.3	58%	0.577	54%	0.537	S	S	*	.	H	α-helix	trans	-65.8	-34.8	178	-169	176.1	-170.4	165.6	8	113.3	W1393 Q1395 L1401	W1393-R1397 VanDerWaalsContact O-CB 3.24Å; W1393-R1397 WeakPolarHBondContact O-CB 3.41Å; W1393-R1397 PolarHBondContact O-N 2.84Å; Q1395-R1397 VanDerWaalsContact C-N 3.33Å; Q1395-R1397 PolarHBondContact O-N 3.26Å; R1397-L1401 HydrophobicContact CG-CD1 4.43Å; R1397-L1401 PolarHBondContact O-N 2.9Å
1398	M	39	Very low	36.4	Very low	132 Å²	132	108.5 Å²	108.5	65%	0.65	55%	0.547	S	S	*	.	H	α-helix	trans	-71.6	-37.4	174.9	-72.6	-64	-65.2	0	0	112.1	K1394 Q1395 Y1396 L1401 G1402	K1394-M1398 WeakPolarHBondContact O-CB 3.41Å; K1394-M1398 VanDerWaalsContact O-CG 3.27Å; K1394-M1398 WeakPolarHBondContact O-CG 3.28Å; K1394-M1398 PolarHBondContact O-N 2.92Å; K1394-M1398 VanDerWaalsContact O-N 3.09Å; Q1395-M1398 PolarHBondContact O-N 3.43Å; Q1395-M1398 VanDerWaalsContact O-N 3.16Å; Y1396-M1398 PolarHBondContact O-N 2.83Å; M1398-L1401 PolarHBondContact O-N 3.22Å; M1398-G1402 PolarHBondContact O-N 2.91Å
1399	S	44.7	Very low	36	Very low	65 Å²	65	111 Å²	111	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-60.5	-47.5	171.4	179.7	0	0	0	0	111.2	Q1395 Y1396 L1401 G1402 Q1403	Q1395-S1399 PolarHBondContact O-N 3.02Å; Y1396-S1399 WeakPolarHBondContact O-CB 3.32Å; Y1396-S1399 PolarHBondContact O-N 2.95Å; S1399-L1401 PolarHBondContact O-N 3.36Å; S1399-G1402 PolarHBondContact O-N 2.79Å; S1399-G1402 VanDerWaalsContact O-N 3.14Å; S1399-Q1403 WeakPolarHBondContact O-CG 3.23Å; S1399-Q1403 PolarHBondContact O-N 2.99Å
1400	L	38.4	Very low	35.6	Very low	97 Å²	97	113.8 Å²	113.8	51%	0.508	57%	0.568	S	S	.	*	H	α-helix	trans	-65.9	-37.4	178.5	-159.1	72	0	0	0	112.7	Y1396 G1404	Y1396-L1400 PolarHBondContact O-N 3.28Å; L1400-G1404 PolarHBondContact O-N 2.8Å; L1400-G1404 VanDerWaalsContact O-N 3.1Å
1401	L	33.2	Very low	34.9	Very low	95 Å²	95	115.4 Å²	115.4	50%	0.497	58%	0.575	S	S	.	*	H	α-helix	trans	-65	-39.1	170.6	-110.5	82.1	0	0	0	112.2	R1397 M1398 S1399 G1404 L1405	R1397-L1401 HydrophobicContact CG-CD1 4.43Å; R1397-L1401 PolarHBondContact O-N 2.9Å; M1398-L1401 PolarHBondContact O-N 3.22Å; S1399-L1401 PolarHBondContact O-N 3.36Å; L1401-G1404 PolarHBondContact O-N 3.3Å; L1401-L1405 WeakPolarHBondContact O-CB 3.16Å; L1401-L1405 VanDerWaalsContact O-CG 3.31Å; L1401-L1405 WeakPolarHBondContact O-CG 3.47Å; L1401-L1405 PolarHBondContact O-N 3.48Å
1402	G	35.3	Very low	34.4	Very low	24 Å²	24	118 Å²	118	25%	0.247	58%	0.58	C	S	.	*	H	α-helix	trans	-59.1	-52.3	175.2	0	0	0	0	0	111.7	M1398 S1399 G1404 L1405 D1406	M1398-G1402 PolarHBondContact O-N 2.91Å; S1399-G1402 PolarHBondContact O-N 2.79Å; S1399-G1402 VanDerWaalsContact O-N 3.14Å; G1402-G1404 PolarHBondContact O-N 2.81Å; G1402-L1405 PolarHBondContact O-N 3.12Å; G1402-D1406 PolarHBondContact O-N 2.76Å
1403	Q	38.6	Very low	33.7	Very low	122 Å²	122	119.6 Å²	119.6	57%	0.57	60%	0.604	S	S	*	*	H	α-helix	trans	-62.3	-27.3	177.5	-65.3	-179.8	22.6	0	0	113.5	S1399	S1399-Q1403 WeakPolarHBondContact O-CG 3.23Å; S1399-Q1403 PolarHBondContact O-N 2.99Å
1404	G	31.4	Very low	33.2	Very low	39 Å²	39	116.2 Å²	116.2	40%	0.402	61%	0.614	S	S	.	*	H	α-helix	trans	-75.1	-41	170.5	0	0	0	0	0	113.6	L1400 L1401 G1402	L1400-G1404 PolarHBondContact O-N 2.8Å; L1400-G1404 VanDerWaalsContact O-N 3.1Å; L1401-G1404 PolarHBondContact O-N 3.3Å; G1402-G1404 PolarHBondContact O-N 2.81Å
1405	L	29.1	Very low	32.4	Very low	88 Å²	88	113.6 Å²	113.6	46%	0.461	62%	0.616	S	S	.	*	H	α-helix	trans	-79.2	-31.2	-176.9	-74.9	167.9	0	0	0	113.5	L1401 G1402 K1407 I1408 R1409	L1401-L1405 WeakPolarHBondContact O-CB 3.16Å; L1401-L1405 VanDerWaalsContact O-CG 3.31Å; L1401-L1405 WeakPolarHBondContact O-CG 3.47Å; L1401-L1405 PolarHBondContact O-N 3.48Å; G1402-L1405 PolarHBondContact O-N 3.12Å; L1405-K1407 VanDerWaalsContact C-N 3.26Å; L1405-K1407 PolarHBondContact O-N 2.97Å; L1405-I1408 CarbonylContact O-C 3.56Å; L1405-I1408 WeakPolarHBondContact O-CA 3.25Å; L1405-I1408 WeakPolarHBondContact O-CB 3.27Å; L1405-I1408 PolarHBondContact O-N 3.27Å; L1405-R1409 WeakPolarHBondContact O-CG 3.33Å; L1405-R1409 PolarHBondContact O-N 3.48Å
1406	D	30.9	Very low	31.4	Very low	91 Å²	91	118.3 Å²	118.3	49%	0.487	63%	0.628	S	S	.	*	H	α-helix	trans	-70.5	-26	176.9	-71.2	-27.5	0	0	0	111.8	G1402 I1408 R1409	G1402-D1406 PolarHBondContact O-N 2.76Å; D1406-I1408 PolarHBondContact O-N 3.18Å; D1406-R1409 PolarHBondContact O-N 2.91Å; D1406-R1409 WeakPolarHBondContact OD1-CD 3.3Å; D1406-R1409 IonicContact OD1-NH1 3.53Å
1407	K	35.6	Very low	30.5	Very low	178 Å²	178	118.2 Å²	118.2	77%	0.774	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-5.9	166.1	-70.7	-178.5	179.6	179.1	0	114.2	L1405	L1405-K1407 VanDerWaalsContact C-N 3.26Å; L1405-K1407 PolarHBondContact O-N 2.97Å
1408	I	30.6	Very low	29.8	Very low	138 Å²	138	117 Å²	117	71%	0.708	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	-6.2	173.1	-56.3	175.8	0	0	0	110.6	L1405 D1406	L1405-I1408 CarbonylContact O-C 3.56Å; L1405-I1408 WeakPolarHBondContact O-CA 3.25Å; L1405-I1408 WeakPolarHBondContact O-CB 3.27Å; L1405-I1408 PolarHBondContact O-N 3.27Å; D1406-I1408 PolarHBondContact O-N 3.18Å
1409	R	26.1	Very low	29	Very low	193 Å²	193	116.8 Å²	116.8	73%	0.728	66%	0.659	S	S	*	*	S	Bend	trans	-97.1	5	-174.7	-77.5	174.5	157.4	-173.3	-6.8	115.6	L1405 D1406	L1405-R1409 WeakPolarHBondContact O-CG 3.33Å; L1405-R1409 PolarHBondContact O-N 3.48Å; D1406-R1409 PolarHBondContact O-N 2.91Å; D1406-R1409 WeakPolarHBondContact OD1-CD 3.3Å; D1406-R1409 IonicContact OD1-NH1 3.53Å
1410	T	25.8	Very low	28.9	Very low	120 Å²	120	119.1 Å²	119.1	74%	0.736	67%	0.673	S	S	*	*			trans	-125.4	122.9	168.1	56.1	0	0	0	0	109.3
1411	S	24.6	Very low	28	Very low	104 Å²	104	125.7 Å²	125.7	73%	0.727	69%	0.691	S	S	*	*	S	Bend	cis	-157.8	168.7	-0.5	64	0	0	0	0	112.5
1412	K	25.7	Very low	27.5	Very low	198 Å²	198	128.2 Å²	128.2	86%	0.861	70%	0.704	S	S	*	*			trans	69	69.8	165.1	-66.6	-174.4	174.7	-179.8	0	120.2
1413	A	23.5	Very low	26.8	Very low	112 Å²	112	134.1 Å²	134.1	93%	0.926	73%	0.729	S	S	*	*				37.2	131	121.1	0	0	0	0	0	123.3
1414	G	23.8	Very low	25.9	Very low	74 Å²	74	132.8 Å²	132.8	76%	0.763	73%	0.732	S	S	*	*			trans	176.2	97.8	156.8	0	0	0	0	0	115.6
1415	S	23.6	Very low	25.4	Very low	111 Å²	111	138.9 Å²	138.9	78%	0.776	76%	0.756	S	S	*	*			trans	57	113.9	174.6	-72.1	0	0	0	0	118.3
1416	R	21.2	Very low	25	Very low	240 Å²	240	145 Å²	145	91%	0.906	77%	0.773	S	S	*	*				65.4	124.8	80.3	-68.5	177.9	176.2	-163.4	-0.3	112.6
1417	S	22.8	Very low	24.6	Very low	109 Å²	109	147.4 Å²	147.4	76%	0.762	79%	0.786	S	S	*	*			cis	-150	147.8	24	37.5	0	0	0	0	110.4
1418	V	22.1	Very low	23.9	Very low	128 Å²	128	145.6 Å²	145.6	78%	0.776	79%	0.789	S	S	*	*				73.8	112.9	55.3	172.5	0	0	0	0	113
1419	T	22.5	Very low	23.5	Very low	126 Å²	126	143.8 Å²	143.8	77%	0.773	79%	0.789	S	S	*	*			cis	-170.9	167.3	-19	12.5	0	0	0	0	110.4
1420	P	41.7	Very low	23.2	Very low	114 Å²	114	139.3 Å²	139.3	74%	0.74	79%	0.787	S	S	*	*			trans	-96.8	167.7	-168.1	39.4	-37.6	0	0	0	115.7
1421	R	21	Very low	23	Very low	235 Å²	235	139.1 Å²	139.1	89%	0.887	79%	0.791	S	S	*	*			trans	-170.1	157.1	162.2	-119.7	165.1	-160.8	-173.6	4.1	118.1
1422	L	21.1	Very low	22.8	Very low	148 Å²	148	142.7 Å²	142.7	78%	0.775	80%	0.798	S	S	*	*			trans	72.1	150.8	155.8	-60.8	163.2	0	0	0	119.2
1423	I	20.7	Very low	22.7	Very low	149 Å²	149	137.5 Å²	137.5	76%	0.764	79%	0.787	S	S	*	*			cis	-154.2	171.7	-38.9	-137.9	-178.2	0	0	0	110.3
1424	S	19.7	Very low	22.6	Very low	93 Å²	93	139.4 Å²	139.4	65%	0.65	78%	0.781	S	S	*	*			trans	-70.9	159.1	-178	56.2	0	0	0	0	116.1
1425	N	22	Very low	22.5	Very low	167 Å²	167	144.4 Å²	144.4	89%	0.893	79%	0.79	S	S	*	*			trans	-142.4	170.7	142	-121.5	-23.6	0	0	0	112.8
1426	R	20.2	Very low	22.5	Very low	217 Å²	217	145.2 Å²	145.2	82%	0.819	79%	0.79	S	S	*	*			trans	-150.2	164.4	-155.1	-145.5	-172.3	-160	-179.4	6.2	112.4
1427	N	22	Very low	22.5	Very low	141 Å²	141	140.9 Å²	140.9	75%	0.754	78%	0.784	S	S	*	*			trans	87	141	161.5	-47.7	-26.8	0	0	0	119.4
1428	V	22.1	Very low	22.5	Very low	140 Å²	140	142.9 Å²	142.9	85%	0.848	79%	0.786	S	S	*	*			trans	122.6	93.9	164	-179.1	0	0	0	0	108
1429	S	21.8	Very low	22.6	Very low	101 Å²	101	145.4 Å²	145.4	71%	0.706	79%	0.789	S	S	*	*			cis	90.9	94.2	34.1	-151.5	0	0	0	0	114.5
1430	S	20	Very low	22.6	Very low	98 Å²	98	148.8 Å²	148.8	69%	0.685	79%	0.793	S	S	*	*			trans	49.6	104.4	137.5	61.2	0	0	0	0	119.9
1431	S	21.7	Very low	21.7	Very low	117 Å²	117	153.2 Å²	153.2	82%	0.818	80%	0.801	S	S	*	*				-178.1	136.3	116.8	-79.8	0	0	0	0	111.9
1432	M	20.5	Very low	21.8	Very low	179 Å²	179	148.4 Å²	148.4	88%	0.882	80%	0.797	S	S	*	*			trans	154.4	107.4	144.6	-83.7	-93.9	56.1	0	0	109.3
1433	S	22.8	Very low	21.9	Very low	89 Å²	89	146.8 Å²	146.8	62%	0.622	80%	0.796	S	S	*	*			trans	-123.5	156.9	172	54.4	0	0	0	0	109.1
1434	N	22	Very low	22	Very low	151 Å²	151	147.5 Å²	147.5	81%	0.807	80%	0.801	S	S	*	*			trans	76.7	109.5	175.1	-45.4	-14.1	0	0	0	115.4
1435	L	22	Very low	22.1	Very low	179 Å²	179	149.9 Å²	149.9	94%	0.937	80%	0.803	S	S	*	*				-149	152.2	126.4	-108.3	171.3	0	0	0	108.6
1436	T	23	Very low	22.2	Very low	129 Å²	129	149.5 Å²	149.5	79%	0.791	80%	0.8	S	S	*	*			trans	-104.6	152.6	-159.5	-34.8	0	0	0	0	112.9
1437	I	21.2	Very low	22.4	Very low	149 Å²	149	145.8 Å²	145.8	76%	0.764	80%	0.795	S	S	*	*			trans	-61	135.5	175.8	-60	164.6	0	0	0	110.7
1438	N	23.5	Very low	22.4	Very low	151 Å²	151	148.1 Å²	148.1	81%	0.807	80%	0.801	S	S	*	*			trans	-130.8	131	158.9	-98.4	-25.3	0	0	0	108.8
1439	Q	23.1	Very low	22.7	Very low	180 Å²	180	149.6 Å²	149.6	84%	0.841	80%	0.799	S	S	*	*			trans	-85.9	135.3	179.5	-65.5	172.2	-21.7	0	0	110.5
1440	F	23	Very low	22.9	Very low	197 Å²	197	149.5 Å²	149.5	86%	0.864	81%	0.805	S	S	*	*			trans	-135.8	132.5	162.3	-94	-87.9	0	0	0	109.7
1441	K	22.4	Very low	23.1	Very low	208 Å²	208	149.5 Å²	149.5	90%	0.904	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-78.5	138.1	175.7	-69.7	-175.8	174.2	-174.7	0	109.9
1442	V	22.8	Very low	23.3	Very low	133 Å²	133	150.5 Å²	150.5	81%	0.806	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-100.7	126.9	171.8	179.8	0	0	0	0	108.2
1443	P	23.1	Very low	23.7	Very low	114 Å²	114	149.1 Å²	149.1	74%	0.74	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-82.8	147.6	168.5	-4.8	23.2	0	0	0	111.2
1444	D	22.5	Very low	24	Very low	164 Å²	164	150.5 Å²	150.5	88%	0.877	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70.3	146.1	-176.7	-56.7	-77.2	0	0	0	113.8
1445	M	23	Very low	24.5	Very low	143 Å²	143	148.8 Å²	148.8	70%	0.704	80%	0.802	S	S	*	*			trans	-121.3	120.9	179.4	-172	178.9	73.7	0	0	110.7
1446	I	22.9	Very low	24.9	Very low	160 Å²	160	148.7 Å²	148.7	82%	0.821	80%	0.797	S	S	*	*			trans	-78.3	130.7	-179.4	-62.7	169.8	0	0	0	109.7
1447	I	25.1	Very low	25.3	Very low	139 Å²	139	147.3 Å²	147.3	71%	0.713	79%	0.788	S	S	*	*			trans	-93	121.5	171.8	-60.3	175.7	0	0	0	108	E1449	I1447-E1449 HydrophobicContact CG2-CG 4.42Å
1448	Q	22.3	Very low	25.8	Very low	189 Å²	189	143.8 Å²	143.8	88%	0.883	77%	0.773	S	S	*	*			trans	-102.8	97.2	-177.9	-165.9	165.2	4.6	0	0	109.6
1449	E	27.5	Very low	26.2	Very low	171 Å²	171	140.8 Å²	140.8	80%	0.799	76%	0.764	S	S	*	*			trans	-72.5	149.2	178.8	-63.5	-168.9	126.7	0	0	111.9	I1447 A1451	I1447-E1449 HydrophobicContact CG2-CG 4.42Å; E1449-A1451 PolarHBondContact O-N 2.86Å
1450	A	26.2	Very low	26.5	Very low	100 Å²	100	140.9 Å²	140.9	83%	0.826	76%	0.764	S	S	*	*			trans	-72.5	111.9	-175.9	0	0	0	0	0	111.1	D1452	A1450-D1452 PolarHBondContact O-N 2.75Å
1451	A	24.8	Very low	26.8	Very low	98 Å²	98	136.9 Å²	136.9	81%	0.81	75%	0.751	S	S	*	*			trans	-86.9	90.4	-171.9	0	0	0	0	0	113.1	E1449	E1449-A1451 PolarHBondContact O-N 2.86Å
1452	D	25.4	Very low	27.2	Very low	137 Å²	137	132.1 Å²	132.1	73%	0.733	74%	0.736	S	S	*	*			trans	-108.4	82.2	165.1	-88.7	-48.6	0	0	0	111.3	A1450 I1454	A1450-D1452 PolarHBondContact O-N 2.75Å; D1452-I1454 PolarHBondContact O-N 2.88Å
1453	N	29.2	Very low	27.5	Very low	151 Å²	151	137.5 Å²	137.5	81%	0.807	74%	0.742	S	S	*	*	S	Bend	trans	51.2	44.7	151.3	-58.9	-44.4	0	0	0	119.6
1454	I	28.2	Very low	27.7	Very low	117 Å²	117	134.8 Å²	134.8	60%	0.6	73%	0.734	S	S	*	*			trans	-123.6	41.1	164.1	-37.1	-177.1	0	0	0	111.6	D1452 E1456 V1457 V1458	D1452-I1454 PolarHBondContact O-N 2.88Å; I1454-E1456 VanDerWaalsContact C-N 3.29Å; I1454-E1456 PolarHBondContact O-N 3Å; I1454-V1457 HydrophobicContact CG2-CB 4.27Å; I1454-V1458 HydrophobicContact CB-CG2 4.49Å; I1454-V1458 HydrophobicContact CG2-CG2 4.01Å
1455	S	32.9	Very low	28	Very low	116 Å²	116	136.1 Å²	136.1	81%	0.811	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	1.5	-172.5	56.3	0	0	0	0	116
1456	E	31.1	Very low	28.3	Very low	177 Å²	177	136.8 Å²	136.8	83%	0.827	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.3	-10.6	-175.7	-164.3	167.3	-164.7	0	0	114.1	I1454	I1454-E1456 VanDerWaalsContact C-N 3.29Å; I1454-E1456 PolarHBondContact O-N 3Å
1457	V	31	Very low	28.6	Very low	99 Å²	99	134.9 Å²	134.9	60%	0.6	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	-27.3	-174.5	-177.5	0	0	0	0	113.6	I1454	I1454-V1457 HydrophobicContact CG2-CB 4.27Å
1458	V	32	Very low	28.7	Very low	76 Å²	76	134.7 Å²	134.7	46%	0.461	73%	0.73	S	S	.	*	S	Bend	trans	-84.5	-23.1	-171.4	-177.6	0	0	0	0	113.1	I1454 E1460 L1461	I1454-V1458 HydrophobicContact CB-CG2 4.49Å; I1454-V1458 HydrophobicContact CG2-CG2 4.01Å; V1458-E1460 VanDerWaalsContact C-N 3.27Å; V1458-E1460 PolarHBondContact O-N 2.82Å; V1458-L1461 PolarHBondContact O-N 3.06Å
1459	S	32.3	Very low	28.9	Very low	87 Å²	87	129.7 Å²	129.7	61%	0.608	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-22.8	-174.1	44	0	0	0	0	115.4
1460	E	29.4	Very low	28.9	Very low	183 Å²	183	126.8 Å²	126.8	86%	0.855	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-13.9	179.4	-68.2	-161.2	122.4	0	0	114.7	V1458	V1458-E1460 VanDerWaalsContact C-N 3.27Å; V1458-E1460 PolarHBondContact O-N 2.82Å
1461	L	28.9	Very low	28.9	Very low	113 Å²	113	127 Å²	127	59%	0.592	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-23.1	-167.1	-78.3	171.5	0	0	0	116.6	V1458	V1458-L1461 PolarHBondContact O-N 3.06Å
1462	D	29.9	Very low	28.8	Very low	107 Å²	107	130.1 Å²	130.1	57%	0.572	71%	0.707	S	S	*	*	S	Bend	trans	-100.3	-7	-175.8	-88.6	-20.5	0	0	0	115.7	G1464	D1462-G1464 PolarHBondContact O-N 3.43Å
1463	R	28.9	Very low	28.9	Very low	247 Å²	247	129 Å²	129	93%	0.932	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	12.4	172.6	-74.7	-168.7	170.8	-156	-2.9	114.9
1464	G	28.3	Very low	28.7	Very low	57 Å²	57	127 Å²	127	59%	0.588	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.1	-4	-168.9	0	0	0	0	0	118	D1462	D1462-G1464 PolarHBondContact O-N 3.43Å
1465	R	28.3	Very low	28.7	Very low	192 Å²	192	126 Å²	126	73%	0.725	71%	0.707	S	S	*	*	S	Bend	trans	-138.3	8.8	-164.2	-82.2	-174.3	-71.6	-168.3	-3	118.9
1466	D	29.3	Very low	28.4	Very low	157 Å²	157	128.3 Å²	128.3	84%	0.84	71%	0.71	S	S	*	*			trans	-110.9	52.3	179.8	-82.7	-41.9	0	0	0	114.7
1467	T	29.6	Very low	28.4	Very low	120 Å²	120	124.1 Å²	124.1	74%	0.736	69%	0.693	S	S	*	*			trans	-142.9	89.9	168.6	58.3	0	0	0	0	111.1
1468	D	26.8	Very low	28.4	Very low	134 Å²	134	126.5 Å²	126.5	72%	0.717	70%	0.702	S	S	*	*	S	Bend	trans	-174.4	37.4	170.3	-111.8	0.7	0	0	0	112.9
1469	S	26.6	Very low	28.3	Very low	85 Å²	85	130.6 Å²	130.6	59%	0.594	72%	0.721	S	S	*	*			trans	-155.2	28.5	-177.1	-64.6	0	0	0	0	115.6	K1566	S1469-K1566 PolarHBondContact O-NZ 2.92Å
1470	D	27.4	Very low	28.4	Very low	110 Å²	110	131.1 Å²	131.1	59%	0.588	72%	0.716	S	S	*	*			trans	-112.3	1.3	-177.9	-63.1	-56	0	0	0	114.2	M1472 S1473 K1566	D1470-M1472 VanDerWaalsContact C-N 3.34Å; D1470-M1472 PolarHBondContact O-N 2.91Å; D1470-S1473 PolarHBondContact O-OG 3.41Å; D1470-K1566 IonicContact OD1-NZ 3.64Å; D1470-K1566 PolarHBondContact OD1-NZ 2.96Å; D1470-K1566 IonicContact OD2-NZ 2.84Å
1471	A	26.2	Very low	28.8	Very low	104 Å²	104	127.1 Å²	127.1	86%	0.86	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	49.2	180	0	0	0	0	0	114.1
1472	M	23.7	Very low	29.3	Very low	164 Å²	164	124.6 Å²	124.6	81%	0.808	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.9	18.7	165.9	-118.7	175.6	77	0	0	115.4	D1470 S1474	D1470-M1472 VanDerWaalsContact C-N 3.34Å; D1470-M1472 PolarHBondContact O-N 2.91Å; M1472-S1474 PolarHBondContact O-N 3.05Å
1473	S	27	Very low	29.8	Very low	113 Å²	113	126.9 Å²	126.9	79%	0.79	70%	0.698	S	S	*	*			trans	-78.8	41.7	-171.5	49.2	0	0	0	0	115.4	D1470	D1470-S1473 PolarHBondContact O-OG 3.41Å
1474	S	25.2	Very low	30.5	Very low	109 Å²	109	124.1 Å²	124.1	76%	0.762	69%	0.688	S	S	*	*			trans	-145.1	36.4	-172	57.3	0	0	0	0	116.2	M1472	M1472-S1474 PolarHBondContact O-N 3.05Å
1475	V	28	Very low	31.3	Very low	97 Å²	97	122.4 Å²	122.4	59%	0.588	67%	0.668	S	S	*	*			trans	-109.4	115	167.8	-169.6	0	0	0	0	110.6	L1477	V1475-L1477 VanDerWaalsContact C-N 3.34Å; V1475-L1477 HydrophobicContact CB-CG 4.22Å; V1475-L1477 HydrophobicContact CG1-CD2 3.94Å; V1475-L1477 HydrophobicContact CG1-CG 3.9Å; V1475-L1477 PolarHBondContact O-N 2.76Å
1476	N	27	Very low	32.3	Very low	163 Å²	163	115.4 Å²	115.4	87%	0.872	65%	0.645	S	S	*	*			trans	-72.5	81.5	178.9	-78.9	-25.5	0	0	0	112	L1478	N1476-L1478 PolarHBondContact O-N 3.13Å; N1476-L1478 VanDerWaalsContact O-N 3.12Å
1477	L	30.2	Very low	33.3	Very low	89 Å²	89	110.7 Å²	110.7	47%	0.466	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.1	67.5	-174.2	-70.3	166.7	0	0	0	113.4	V1475 I1480 R1558	V1475-L1477 VanDerWaalsContact C-N 3.34Å; V1475-L1477 HydrophobicContact CB-CG 4.22Å; V1475-L1477 HydrophobicContact CG1-CD2 3.94Å; V1475-L1477 HydrophobicContact CG1-CG 3.9Å; V1475-L1477 PolarHBondContact O-N 2.76Å; L1477-I1480 HydrophobicContact CD2-CD1 3.9Å; L1477-R1558 PolarHBondContact O-NH2 2.83Å
1478	L	31	Very low	34.5	Very low	149 Å²	149	109.2 Å²	109.2	78%	0.78	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	-24.9	174.1	-72.4	175.2	0	0	0	115.1	N1476 I1480	N1476-L1478 PolarHBondContact O-N 3.13Å; N1476-L1478 VanDerWaalsContact O-N 3.12Å; L1478-I1480 PolarHBondContact O-N 3.03Å
1479	D	29.8	Very low	35.6	Very low	163 Å²	163	103 Å²	103	87%	0.872	58%	0.579	S	S	*	*			trans	-88.8	11.5	-172.8	-67.5	-20.8	0	0	0	115.5	N1481	D1479-N1481 PolarHBondContact O-N 3.42Å
1480	I	34.6	Very low	37	Very low	97 Å²	97	102.5 Å²	102.5	50%	0.497	57%	0.569	S	S	.	*			trans	-82.5	100.4	175.7	-57.8	-179.6	0	0	0	109.3	L1477 L1478 P1482	L1477-I1480 HydrophobicContact CD2-CD1 3.9Å; L1478-I1480 PolarHBondContact O-N 3.03Å; I1480-P1482 WeakPolarHBondContact O-CD 3.44Å
1481	N	37.8	Very low	38.2	Very low	100 Å²	100	102.4 Å²	102.4	54%	0.535	57%	0.572	S	S	.	*			trans	-63.3	110.5	178.3	-172.4	-9.9	0	0	0	111	D1479 E1483	D1479-N1481 PolarHBondContact O-N 3.42Å; N1481-E1483 PolarHBondContact O-N 2.88Å
1482	P	40	Very low	39.2	Very low	60 Å²	60	104.5 Å²	104.5	39%	0.39	56%	0.558	S	S	.	*	H	α-helix	trans	-72.1	-24.1	-159.7	27	-35.7	0	0	0	114.6	I1480 R1484 A1485 L1486	I1480-P1482 WeakPolarHBondContact O-CD 3.44Å; P1482-R1484 VanDerWaalsContact C-N 3.34Å; P1482-R1484 PolarHBondContact O-N 2.95Å; P1482-A1485 PolarHBondContact O-N 3.21Å; P1482-L1486 PolarHBondContact O-N 2.98Å
1483	E	40.8	Very low	40.3	Very low	155 Å²	155	98.3 Å²	98.3	72%	0.724	53%	0.531	S	S	*	.	H	α-helix	trans	-62.8	-39.1	-178.2	-63.3	-173.3	149	0	0	112.3	N1481 L1486 S1487	N1481-E1483 PolarHBondContact O-N 2.88Å; E1483-L1486 PolarHBondContact O-N 2.79Å; E1483-S1487 PolarHBondContact O-N 2.85Å; E1483-S1487 VanDerWaalsContact O-N 3.09Å; E1483-S1487 PolarHBondContact O-OG 3.4Å
1484	R	43.8	Very low	40.7	Very low	189 Å²	189	95.9 Å²	95.9	71%	0.713	52%	0.524	S	S	*	.	H	α-helix	trans	-67	-43.3	177.5	-77.8	-173.3	176.9	161.2	1	112.4	P1482 L1486 S1487 D1488	P1482-R1484 VanDerWaalsContact C-N 3.34Å; P1482-R1484 PolarHBondContact O-N 2.95Å; R1484-L1486 VanDerWaalsContact C-N 3.3Å; R1484-L1486 PolarHBondContact O-N 3.1Å; R1484-S1487 WeakPolarHBondContact CA-OG 3.41Å; R1484-S1487 PolarHBondContact O-N 2.76Å; R1484-S1487 PolarHBondContact O-OG 3.07Å; R1484-D1488 PolarHBondContact O-N 2.81Å
1485	A	44.8	Very low	41.5	Very low	21 Å²	21	97.5 Å²	97.5	17%	0.174	52%	0.523	C	S	.	.	H	α-helix	trans	-62.8	-39.2	177.9	0	0	0	0	0	111.2	P1482 D1488 V1489 G1557	P1482-A1485 PolarHBondContact O-N 3.21Å; A1485-D1488 PolarHBondContact O-N 3.02Å; A1485-V1489 WeakPolarHBondContact O-CG2 3.43Å; A1485-V1489 PolarHBondContact O-N 3.16Å; A1485-V1489 VanDerWaalsContact O-N 3.1Å; A1485-G1557 WeakPolarHBondContact CB-O 3.49Å
1486	L	49.5	Very low	42.4	Very low	45 Å²	45	97.2 Å²	97.2	24%	0.236	54%	0.54	C	S	.	.	H	α-helix	trans	-62.2	-45.3	174.2	-170.1	74	0	0	0	112.2	P1482 E1483 R1484 D1488 V1489 L1490 T1582	P1482-L1486 PolarHBondContact O-N 2.98Å; E1483-L1486 PolarHBondContact O-N 2.79Å; R1484-L1486 VanDerWaalsContact C-N 3.3Å; R1484-L1486 PolarHBondContact O-N 3.1Å; L1486-D1488 VanDerWaalsContact C-N 3.33Å; L1486-D1488 PolarHBondContact O-N 3.46Å; L1486-V1489 PolarHBondContact O-N 3.34Å; L1486-L1490 HydrophobicContact CG-CD1 4.12Å; L1486-L1490 WeakPolarHBondContact O-CG 3.4Å; L1486-L1490 PolarHBondContact O-N 2.95Å; L1486-T1582 VanDerWaalsContact CD1-OG1 3.3Å; L1486-T1582 WeakPolarHBondContact CD1-OG1 2.9Å
1487	S	50.2	Low	43.8	Very low	57 Å²	57	93 Å²	93	40%	0.399	52%	0.517	S	S	.	.	H	α-helix	trans	-61.8	-40	176.4	48	0	0	0	0	112.4	E1483 R1484 V1489 L1490 T1491	E1483-S1487 PolarHBondContact O-N 2.85Å; E1483-S1487 VanDerWaalsContact O-N 3.09Å; E1483-S1487 PolarHBondContact O-OG 3.4Å; R1484-S1487 WeakPolarHBondContact CA-OG 3.41Å; R1484-S1487 PolarHBondContact O-N 2.76Å; R1484-S1487 PolarHBondContact O-OG 3.07Å; S1487-V1489 VanDerWaalsContact C-N 3.32Å; S1487-V1489 PolarHBondContact O-N 2.91Å; S1487-L1490 PolarHBondContact O-N 3.14Å; S1487-T1491 WeakPolarHBondContact O-CG2 3.39Å; S1487-T1491 PolarHBondContact O-N 2.96Å; S1487-T1491 PolarHBondContact O-OG1 3.22Å
1488	D	53.6	Low	45.7	Very low	89 Å²	89	92.2 Å²	92.2	48%	0.476	52%	0.52	S	S	.	.	H	α-helix	trans	-66.1	-32.8	178.4	-71	-11.7	0	0	0	112.4	R1484 A1485 L1486 T1491 R1492	R1484-D1488 PolarHBondContact O-N 2.81Å; A1485-D1488 PolarHBondContact O-N 3.02Å; L1486-D1488 VanDerWaalsContact C-N 3.33Å; L1486-D1488 PolarHBondContact O-N 3.46Å; D1488-T1491 PolarHBondContact O-OG1 3.1Å; D1488-R1492 WeakPolarHBondContact O-CB 3.24Å; D1488-R1492 WeakPolarHBondContact O-CG 3.31Å; D1488-R1492 PolarHBondContact O-N 3.02Å; D1488-R1492 PolarHBondContact O-NE 2.72Å
1489	V	51.2	Low	48.1	Very low	5 Å²	5	86.9 Å²	86.9	3%	0.03	49%	0.493	C	S	.	.	H	α-helix	trans	-70.1	-47.3	173.9	170.8	0	0	0	0	111	A1485 L1486 S1487 T1491 R1492 S1493 L1553 D1559 T1582	A1485-V1489 WeakPolarHBondContact O-CG2 3.43Å; A1485-V1489 PolarHBondContact O-N 3.16Å; A1485-V1489 VanDerWaalsContact O-N 3.1Å; L1486-V1489 PolarHBondContact O-N 3.34Å; S1487-V1489 VanDerWaalsContact C-N 3.32Å; S1487-V1489 PolarHBondContact O-N 2.91Å; V1489-T1491 PolarHBondContact O-N 3.32Å; V1489-R1492 PolarHBondContact O-N 3Å; V1489-R1492 VanDerWaalsContact O-N 3.16Å; V1489-S1493 PolarHBondContact O-N 3.23Å; V1489-L1553 HydrophobicContact CG1-CB 4.02Å; V1489-L1553 HydrophobicContact CG1-CD1 4.21Å; V1489-D1559 HydrophobicContact CG2-CB 3.7Å; V1489-D1559 VanDerWaalsContact CG2-CG 3.44Å; V1489-D1559 WeakPolarHBondContact CG2-OD2 3.49Å; V1489-T1582 HydrophobicContact CG1-CG2 4.42Å
1490	L	54.8	Low	50.5	Low	74 Å²	74	81.7 Å²	81.7	39%	0.387	47%	0.47	S	S	.	.	H	α-helix	trans	-67.4	-34.3	-178.6	-67.3	173.1	0	0	0	112.8	L1486 S1487 R1492 S1493 V1499 T1582	L1486-L1490 HydrophobicContact CG-CD1 4.12Å; L1486-L1490 WeakPolarHBondContact O-CG 3.4Å; L1486-L1490 PolarHBondContact O-N 2.95Å; S1487-L1490 PolarHBondContact O-N 3.14Å; L1490-R1492 VanDerWaalsContact C-N 3.33Å; L1490-S1493 PolarHBondContact O-OG 3.48Å; L1490-V1499 HydrophobicContact CD2-CG1 3.8Å; L1490-T1582 HydrophobicContact CD2-CG2 4.24Å
1491	T	52.9	Low	53	Low	108 Å²	108	80.8 Å²	80.8	66%	0.663	47%	0.466	S	S	*	.	H	α-helix	trans	-70.5	-28.2	172.8	51.4	0	0	0	0	113.1	S1487 D1488 V1489	S1487-T1491 WeakPolarHBondContact O-CG2 3.39Å; S1487-T1491 PolarHBondContact O-N 2.96Å; S1487-T1491 PolarHBondContact O-OG1 3.22Å; D1488-T1491 PolarHBondContact O-OG1 3.1Å; V1489-T1491 PolarHBondContact O-N 3.32Å
1492	R	46.7	Very low	55.3	Low	148 Å²	148	76.5 Å²	76.5	56%	0.558	44%	0.443	S	S	*	.	H	α-helix	trans	-76.3	-20.3	177.9	-83.4	179.8	-81	152.7	-3.8	113.5	D1488 V1489 L1490 G1494 D1559	D1488-R1492 WeakPolarHBondContact O-CB 3.24Å; D1488-R1492 WeakPolarHBondContact O-CG 3.31Å; D1488-R1492 PolarHBondContact O-N 3.02Å; D1488-R1492 PolarHBondContact O-NE 2.72Å; V1489-R1492 PolarHBondContact O-N 3Å; V1489-R1492 VanDerWaalsContact O-N 3.16Å; L1490-R1492 VanDerWaalsContact C-N 3.33Å; R1492-G1494 VanDerWaalsContact C-N 3.26Å; R1492-G1494 PolarHBondContact O-N 2.95Å; R1492-D1559 IonicContact CZ-OD2 3.72Å; R1492-D1559 VanDerWaalsContact CZ-OD2 3.23Å; R1492-D1559 IonicContact NH1-OD2 3.37Å; R1492-D1559 PolarHBondContact NH1-OD2 2.85Å; R1492-D1559 IonicContact NH2-OD2 2.72Å; R1492-D1559 PolarHBondContact NH2-OD2 3.02Å
1493	S	48.6	Very low	57.6	Low	33 Å²	33	75.7 Å²	75.7	23%	0.231	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	14.9	-178	62.3	0	0	0	0	115.4	V1489 L1490 L1495	V1489-S1493 PolarHBondContact O-N 3.23Å; L1490-S1493 PolarHBondContact O-OG 3.48Å; S1493-L1495 PolarHBondContact O-N 3.47Å
1494	G	35	Very low	59.8	Low	63 Å²	63	68.4 Å²	68.4	65%	0.649	40%	0.403	S	S	*	.			trans	-73.3	74.2	-174.9	0	0	0	0	0	115.1	R1492	R1492-G1494 VanDerWaalsContact C-N 3.26Å; R1492-G1494 PolarHBondContact O-N 2.95Å
1495	L	40.4	Very low	61.8	Low	142 Å²	142	66.6 Å²	66.6	74%	0.743	40%	0.397	S	S	*	.	S	Bend	trans	-160.1	82.3	158.8	-137.3	75.7	0	0	0	112	S1493 N1497	S1493-L1495 PolarHBondContact O-N 3.47Å; L1495-N1497 PolarHBondContact O-N 2.81Å
1496	G	47.6	Very low	63.4	Low	92 Å²	92	67.2 Å²	67.2	95%	0.948	40%	0.396	S	S	*	.	S	Bend	trans	69.4	-24.9	166.8	0	0	0	0	0	118.7
1497	N	57.5	Low	64.6	Low	74 Å²	74	72.2 Å²	72.2	40%	0.396	42%	0.418	S	S	.	.			trans	-76.9	135	-176.5	-62.1	-33.4	0	0	0	112	L1495 V1499 L1584 N1587	L1495-N1497 PolarHBondContact O-N 2.81Å; N1497-V1499 PolarHBondContact O-N 3.31Å; N1497-L1584 HydrophobicContact CB-CD1 3.57Å; N1497-N1587 PolarHBondContact OD1-ND2 3.27Å
1498	S	70	Confident	65.4	Low	73 Å²	73	73.3 Å²	73.3	51%	0.51	42%	0.424	S	S	.	.			trans	-75.3	110.6	176.2	58.1	0	0	0	0	111.4	R1585	S1498-R1585 WeakPolarHBondContact O-CB 3.38Å; S1498-R1585 PolarHBondContact O-N 3.44Å; S1498-R1585 WeakPolarHBondContact OG-CB 3.18Å
1499	V	80	Confident	66.2	Low	36 Å²	36	75.9 Å²	75.9	22%	0.218	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	138.6	164.7	178.2	0	0	0	0	109.2	L1490 N1497 L1553 T1582 V1583 L1584	L1490-V1499 HydrophobicContact CD2-CG1 3.8Å; N1497-V1499 PolarHBondContact O-N 3.31Å; V1499-L1553 HydrophobicContact CG1-CD1 4.4Å; V1499-L1553 HydrophobicContact CG2-CD1 4.05Å; V1499-T1582 HydrophobicContact CG1-CG2 3.53Å; V1499-V1583 WeakPolarHBondContact CA-O 3.34Å; V1499-L1584 HydrophobicContact CG2-CB 4.45Å; V1499-L1584 HydrophobicContact CG2-CD1 3.56Å
1500	S	81.5	Confident	67.3	Low	55 Å²	55	77.7 Å²	77.7	39%	0.385	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	147.7	178.6	60.2	0	0	0	0	111	V1583	S1500-V1583 PolarHBondContact N-O 3.32Å; S1500-V1583 PolarHBondContact O-N 3.43Å
1501	N	87	Confident	68.5	Low	78 Å²	78	76.9 Å²	76.9	42%	0.417	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.1	170.5	-75.6	-21.5	0	0	0	108.9	T1580 F1581 T1582	N1501-T1580 HydrophobicContact CB-CG2 3.95Å; N1501-F1581 CarbonylContact C-O 3.54Å; N1501-F1581 WeakPolarHBondContact CA-O 3.3Å; N1501-T1582 WeakPolarHBondContact OD1-CA 3.47Å; N1501-T1582 WeakPolarHBondContact OD1-CB 3.45Å; N1501-T1582 WeakPolarHBondContact OD1-CG2 3.39Å; N1501-T1582 PolarHBondContact OD1-OG1 3.26Å
1502	V	85.9	Confident	70.1	Confident	10 Å²	10	72.7 Å²	72.7	6%	0.061	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.8	177.6	178.8	0	0	0	0	108.6	L1504 N1543 T1545 F1546 T1580 F1581 V1583	V1502-L1504 HydrophobicContact CG1-CD2 4.08Å; V1502-L1504 HydrophobicContact CG1-CG 4.48Å; V1502-N1543 WeakPolarHBondContact CG1-OD1 3.49Å; V1502-T1545 HydrophobicContact CG1-CG2 4.49Å; V1502-T1545 WeakPolarHBondContact CG1-OG1 3.49Å; V1502-T1545 HydrophobicContact CG2-CG2 4.4Å; V1502-F1546 HydrophobicContact CB-CE2 4.15Å; V1502-F1546 HydrophobicContact CB-CZ 4.15Å; V1502-F1546 HydrophobicContact CG1-CD2 4.18Å; V1502-F1546 HydrophobicContact CG1-CE2 3.47Å; V1502-F1546 VanDerWaalsContact CG1-CE2 3.47Å; V1502-F1546 HydrophobicContact CG1-CZ 3.97Å; V1502-T1580 WeakPolarHBondContact O-CA 3.22Å; V1502-F1581 PolarHBondContact N-O 3.09Å; V1502-F1581 PolarHBondContact O-N 3.38Å; V1502-V1583 HydrophobicContact CG2-CG2 4.34Å
1503	T	88.1	Confident	72	Confident	42 Å²	42	66.5 Å²	66.5	26%	0.258	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	114.8	175.8	-52	0	0	0	0	110.3	Y1505 Q1578 T1579 T1580	T1503-Y1505 HydrophobicContact CG2-CE1 4.45Å; T1503-Y1505 HydrophobicContact CG2-CE2 3.86Å; T1503-Q1578 HydrophobicContact CG2-CG 3.64Å; T1503-T1579 WeakPolarHBondContact CA-O 3.46Å; T1503-T1580 WeakPolarHBondContact CG2-OG1 3.4Å; T1503-T1580 PolarHBondContact OG1-OG1 3.41Å
1504	L	87.5	Confident	73.8	Confident	2 Å²	2	66.3 Å²	66.3	1%	0.01	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	147.9	170.2	-60.6	-172.4	0	0	0	110.5	V1502 F1512 V1539 A1540 N1543 F1546 T1579 F1581	V1502-L1504 HydrophobicContact CG1-CD2 4.08Å; V1502-L1504 HydrophobicContact CG1-CG 4.48Å; L1504-F1512 HydrophobicContact CB-CD1 4.06Å; L1504-F1512 HydrophobicContact CB-CE1 4.44Å; L1504-F1512 HydrophobicContact CD1-CB 4.13Å; L1504-F1512 HydrophobicContact CD1-CD1 3.97Å; L1504-F1512 HydrophobicContact CD1-CG 4.45Å; L1504-V1539 HydrophobicContact CB-CG1 4.03Å; L1504-V1539 HydrophobicContact CD1-CG1 4.38Å; L1504-V1539 HydrophobicContact CD2-CG1 4.28Å; L1504-V1539 HydrophobicContact CG-CG1 4.46Å; L1504-A1540 HydrophobicContact CD1-CB 3.95Å; L1504-N1543 HydrophobicContact CD2-CB 3.54Å; L1504-F1546 HydrophobicContact CD1-CE2 3.75Å; L1504-F1546 HydrophobicContact CD1-CZ 4.41Å; L1504-F1546 HydrophobicContact CD2-CE2 4.03Å; L1504-F1546 HydrophobicContact CG-CE2 3.95Å; L1504-T1579 PolarHBondContact N-O 2.95Å; L1504-T1579 PolarHBondContact O-N 3.5Å; L1504-F1581 HydrophobicContact CB-CE2 4.23Å; L1504-F1581 HydrophobicContact CD1-CD2 4.5Å; L1504-F1581 HydrophobicContact CD1-CE2 3.9Å; L1504-F1581 HydrophobicContact CD1-CZ 4.48Å; L1504-F1581 HydrophobicContact CG-CD2 4.33Å; L1504-F1581 HydrophobicContact CG-CE2 4.05Å
1505	Y	84.2	Confident	76.3	Confident	151 Å²	151	66.3 Å²	66.3	59%	0.592	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.4	172.8	-58.6	-95.6	0	0	0	107.1	T1503 V1539 Q1578	T1503-Y1505 HydrophobicContact CG2-CE1 4.45Å; T1503-Y1505 HydrophobicContact CG2-CE2 3.86Å; Y1505-V1539 WeakPolarHBondContact O-CG1 3.25Å; Y1505-Q1578 HydrophobicContact CD1-CB 4.06Å; Y1505-Q1578 HydrophobicContact CD1-CG 3.87Å; Y1505-Q1578 HydrophobicContact CE1-CB 4.13Å; Y1505-Q1578 HydrophobicContact CE1-CG 3.51Å; Y1505-Q1578 VanDerWaalsContact CE1-NE2 3.33Å; Y1505-Q1578 PolarHBondContact OH-NE2 3.01Å
1506	K	79.8	Confident	78.6	Confident	34 Å²	34	60.3 Å²	60.3	15%	0.148	37%	0.367	C	S	.	.			trans	-116.1	154.9	179	66.5	149.1	178	141.7	0	110.7	P1508 S1510 F1512 V1539 C1575 V1576 N1577	K1506-P1508 PolarHBondContact NZ-O 2.87Å; K1506-S1510 WeakPolarHBondContact CD-O 3.43Å; K1506-S1510 PolarHBondContact NZ-O 2.72Å; K1506-F1512 HydrophobicContact CB-CD1 4.25Å; K1506-F1512 HydrophobicContact CB-CE1 4.08Å; K1506-F1512 HydrophobicContact CD-CD1 4.27Å; K1506-F1512 HydrophobicContact CD-CE1 3.78Å; K1506-F1512 HydrophobicContact CD-CE2 4.16Å; K1506-F1512 HydrophobicContact CD-CZ 3.68Å; K1506-F1512 VanDerWaalsContact CE-CZ 3.44Å; K1506-F1512 HydrophobicContact CG-CD1 4.18Å; K1506-F1512 HydrophobicContact CG-CE1 3.56Å; K1506-F1512 HydrophobicContact CG-CZ 3.89Å; K1506-V1539 HydrophobicContact CB-CG2 4.36Å; K1506-C1575 WeakPolarHBondContact CE-O 3.29Å; K1506-C1575 PolarHBondContact NZ-O 3.27Å; K1506-V1576 WeakPolarHBondContact CE-O 3.5Å; K1506-V1576 PolarHBondContact NZ-O 2.94Å; K1506-N1577 WeakPolarHBondContact CG-O 3.43Å; K1506-N1577 PolarHBondContact N-O 2.99Å
1507	E	74.6	Confident	80.4	Confident	150 Å²	150	57 Å²	57	70%	0.701	33%	0.328	S	S	*	.			trans	-72.7	149.5	165.3	-62.4	-173.1	169.4	0	0	109.7	N1509 S1510	E1507-N1509 PolarHBondContact O-N 3.1Å; E1507-N1509 VanDerWaalsContact O-N 3.1Å; E1507-S1510 PolarHBondContact N-OG 3.23Å; E1507-S1510 PolarHBondContact O-N 3.16Å; E1507-S1510 PolarHBondContact O-OG 2.99Å
1508	P	67.3	Low	81.8	Confident	80 Å²	80	54.5 Å²	54.5	52%	0.519	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-40.1	-172.1	-28.8	35.2	0	0	0	114	K1506 S1510	K1506-P1508 PolarHBondContact NZ-O 2.87Å; P1508-S1510 VanDerWaalsContact C-N 3.34Å
1509	N	69.4	Low	82.3	Confident	144 Å²	144	51 Å²	51	77%	0.77	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	4.3	-176.1	-58.7	-1.4	0	0	0	113.5	E1507	E1507-N1509 PolarHBondContact O-N 3.1Å; E1507-N1509 VanDerWaalsContact O-N 3.1Å
1510	S	73.6	Confident	82.2	Confident	42 Å²	42	54.6 Å²	54.6	29%	0.294	31%	0.305	S	S	.	.			trans	-104.9	158.4	-176.5	71.1	0	0	0	0	112.8	K1506 E1507 P1508	K1506-S1510 WeakPolarHBondContact CD-O 3.43Å; K1506-S1510 PolarHBondContact NZ-O 2.72Å; E1507-S1510 PolarHBondContact N-OG 3.23Å; E1507-S1510 PolarHBondContact O-N 3.16Å; E1507-S1510 PolarHBondContact O-OG 2.99Å; P1508-S1510 VanDerWaalsContact C-N 3.34Å
1511	G	81.3	Confident	82	Confident	57 Å²	57	58.9 Å²	58.9	59%	0.588	31%	0.312	S	S	*	.			trans	-93.9	153.6	171.6	0	0	0	0	0	112.2	G1513	G1511-G1513 PolarHBondContact O-N 3.41Å
1512	F	85.8	Confident	81.7	Confident	21 Å²	21	55.2 Å²	55.2	9%	0.092	29%	0.293	C	S	.	.			trans	-65.1	-22.2	173.6	-61	-73	0	0	0	113.3	L1504 K1506 A1540 L1572 C1575 T1579 F1581	L1504-F1512 HydrophobicContact CB-CD1 4.06Å; L1504-F1512 HydrophobicContact CB-CE1 4.44Å; L1504-F1512 HydrophobicContact CD1-CB 4.13Å; L1504-F1512 HydrophobicContact CD1-CD1 3.97Å; L1504-F1512 HydrophobicContact CD1-CG 4.45Å; K1506-F1512 HydrophobicContact CB-CD1 4.25Å; K1506-F1512 HydrophobicContact CB-CE1 4.08Å; K1506-F1512 HydrophobicContact CD-CD1 4.27Å; K1506-F1512 HydrophobicContact CD-CE1 3.78Å; K1506-F1512 HydrophobicContact CD-CE2 4.16Å; K1506-F1512 HydrophobicContact CD-CZ 3.68Å; K1506-F1512 VanDerWaalsContact CE-CZ 3.44Å; K1506-F1512 HydrophobicContact CG-CD1 4.18Å; K1506-F1512 HydrophobicContact CG-CE1 3.56Å; K1506-F1512 HydrophobicContact CG-CZ 3.89Å; F1512-A1540 WeakPolarHBondContact O-CB 3.5Å; F1512-A1540 PolarHBondContact O-N 2.76Å; F1512-L1572 HydrophobicContact CD2-CD2 4.46Å; F1512-L1572 HydrophobicContact CE2-CD2 4.46Å; F1512-C1575 HydrophobicContact CE2-CB 4.41Å; F1512-C1575 HydrophobicContact CZ-CB 4.15Å; F1512-T1579 HydrophobicContact CE1-CG2 4.48Å; F1512-T1579 WeakPolarHBondContact CE1-OG1 3.39Å; F1512-T1579 HydrophobicContact CZ-CG2 4.25Å; F1512-T1579 WeakPolarHBondContact CZ-OG1 3.44Å; F1512-F1581 HydrophobicContact CD1-CE2 4.21Å; F1512-F1581 HydrophobicContact CD1-CZ 4.17Å; F1512-F1581 HydrophobicContact CD2-CZ 4.21Å; F1512-F1581 HydrophobicContact CE1-CE2 4.4Å; F1512-F1581 HydrophobicContact CE1-CZ 4.48Å; F1512-F1581 HydrophobicContact CG-CZ 4.05Å
1513	G	86.2	Confident	81	Confident	17 Å²	17	58 Å²	58	18%	0.175	31%	0.313	C	S	.	.			trans	83.9	12	-177.4	0	0	0	0	0	115.5	G1511 V1534 A1535	G1511-G1513 PolarHBondContact O-N 3.41Å; G1513-V1534 CarbonylContact O-C 3.2Å; G1513-V1534 WeakPolarHBondContact O-CA 3.23Å; G1513-A1535 PolarHBondContact O-N 2.85Å
1514	L	86.9	Confident	80.4	Confident	29 Å²	29	56.7 Å²	56.7	15%	0.152	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	121.1	175.3	-62.8	174.7	0	0	0	110.6	L1516 V1531 V1534 A1540 F1546 I1552 F1581	L1514-L1516 HydrophobicContact CB-CD2 3.95Å; L1514-L1516 HydrophobicContact CB-CG 4.31Å; L1514-V1531 HydrophobicContact CD2-CG1 4.22Å; L1514-V1531 HydrophobicContact CD2-CG2 4.39Å; L1514-V1534 HydrophobicContact CD2-CG2 4.19Å; L1514-A1540 HydrophobicContact CD2-CB 3.54Å; L1514-A1540 HydrophobicContact CG-CB 3.88Å; L1514-F1546 HydrophobicContact CD1-CD1 4.19Å; L1514-F1546 HydrophobicContact CD1-CE1 3.76Å; L1514-F1546 HydrophobicContact CD1-CE2 4.28Å; L1514-F1546 HydrophobicContact CD1-CZ 3.82Å; L1514-F1546 HydrophobicContact CD2-CB 4.03Å; L1514-F1546 HydrophobicContact CD2-CD1 3.82Å; L1514-F1546 HydrophobicContact CD2-CD2 4.07Å; L1514-F1546 HydrophobicContact CD2-CE1 4.25Å; L1514-F1546 HydrophobicContact CD2-CE2 4.48Å; L1514-F1546 HydrophobicContact CD2-CG 3.71Å; L1514-I1552 HydrophobicContact CD1-CD1 4.46Å; L1514-F1581 HydrophobicContact CD1-CD1 4.34Å; L1514-F1581 HydrophobicContact CD1-CE1 3.79Å; L1514-F1581 HydrophobicContact CD1-CZ 4.06Å
1515	V	87.1	Confident	79.7	Confident	64 Å²	64	61.2 Å²	61.2	39%	0.388	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	115	167.2	-176.3	0	0	0	0	107.7	K1532 S1533	V1515-K1532 HydrophobicContact CG1-CB 4.26Å; V1515-K1532 HydrophobicContact CG1-CD 4.37Å; V1515-K1532 WeakPolarHBondContact O-CB 3.49Å; V1515-K1532 PolarHBondContact O-N 2.91Å; V1515-S1533 WeakPolarHBondContact CB-OG 3.15Å; V1515-S1533 WeakPolarHBondContact CG2-OG 3.22Å; V1515-S1533 PolarHBondContact N-O 2.91Å; V1515-S1533 PolarHBondContact O-N 3.39Å
1516	L	90	Very high	79.1	Confident	15 Å²	15	58.5 Å²	58.5	8%	0.079	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	151.6	-174	-56.8	-179	0	0	0	111.8	L1514 I1529 F1530 V1531 I1552 Y1565 L1572	L1514-L1516 HydrophobicContact CB-CD2 3.95Å; L1514-L1516 HydrophobicContact CB-CG 4.31Å; L1516-I1529 HydrophobicContact CB-CG2 4.14Å; L1516-I1529 HydrophobicContact CD1-CG2 3.93Å; L1516-I1529 HydrophobicContact CD2-CG2 4.47Å; L1516-I1529 HydrophobicContact CG-CG2 4.41Å; L1516-F1530 CarbonylContact C-O 3.58Å; L1516-F1530 WeakPolarHBondContact CA-O 3.37Å; L1516-V1531 HydrophobicContact CD2-CG2 3.92Å; L1516-I1552 HydrophobicContact CD1-CD1 4Å; L1516-I1552 HydrophobicContact CD2-CD1 3.65Å; L1516-Y1565 HydrophobicContact CB-CE2 4.32Å; L1516-Y1565 PolarHBondContact O-OH 3.24Å; L1516-L1572 HydrophobicContact CD1-CD1 3.42Å; L1516-L1572 VanDerWaalsContact CD1-CD1 3.42Å
1517	V	85.7	Confident	78.7	Confident	23 Å²	23	60.6 Å²	60.6	14%	0.139	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.8	171.1	-73.9	0	0	0	0	111.9	T1522 I1529 F1530 K1532 L1595	V1517-T1522 HydrophobicContact CB-CG2 3.99Å; V1517-T1522 HydrophobicContact CG1-CG2 4.41Å; V1517-T1522 HydrophobicContact CG2-CG2 3.98Å; V1517-I1529 WeakPolarHBondContact O-CA 3.49Å; V1517-F1530 HydrophobicContact CG2-CB 4.21Å; V1517-F1530 PolarHBondContact N-O 2.54Å; V1517-F1530 PolarHBondContact O-N 3.02Å; V1517-K1532 HydrophobicContact CG1-CB 3.84Å; V1517-K1532 HydrophobicContact CG1-CD 3.75Å; V1517-K1532 HydrophobicContact CG1-CG 3.91Å; V1517-K1532 HydrophobicContact CG2-CB 4.01Å; V1517-K1532 HydrophobicContact CG2-CG 4.4Å; V1517-L1595 HydrophobicContact CG2-CB 4.27Å; V1517-L1595 HydrophobicContact CG2-CD1 4.14Å; V1517-L1595 HydrophobicContact CG2-CD2 3.93Å; V1517-L1595 HydrophobicContact CG2-CG 4.35Å
1518	D	85.5	Confident	79.1	Confident	21 Å²	21	54.2 Å²	54.2	11%	0.112	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	116.2	165.7	-174.6	-5.8	0	0	0	108.7	E1520 R1521 Y1565	D1518-E1520 PolarHBondContact O-N 2.86Å; D1518-E1520 PolarHBondContact OD1-N 3.42Å; D1518-R1521 HydrophobicContact CB-CB 4.3Å; D1518-R1521 HydrophobicContact CB-CG 3.91Å; D1518-R1521 PolarHBondContact O-N 2.8Å; D1518-R1521 IonicContact OD2-CZ 3.77Å; D1518-R1521 IonicContact OD2-NE 2.85Å; D1518-R1521 PolarHBondContact OD2-NE 2.96Å; D1518-R1521 IonicContact OD2-NH2 2.96Å; D1518-Y1565 HydrophobicContact CB-CD1 4.38Å; D1518-Y1565 HydrophobicContact CB-CD2 3.69Å; D1518-Y1565 HydrophobicContact CB-CE2 4.26Å; D1518-Y1565 HydrophobicContact CB-CG 3.77Å
1519	G	80.9	Confident	80.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-63.5	-27.3	-173	0	0	0	0	0	114.2	R1521 T1522 D1525 Q1526 G1528	G1519-R1521 PolarHBondContact O-N 2.96Å; G1519-T1522 PolarHBondContact O-N 3.03Å; G1519-T1522 PolarHBondContact O-OG1 3.08Å; G1519-D1525 PolarHBondContact O-N 3.13Å; G1519-Q1526 CarbonylContact C-O 3.59Å; G1519-Q1526 WeakPolarHBondContact CA-O 3.09Å; G1519-G1528 PolarHBondContact N-O 3.44Å
1520	E	78.4	Confident	81.1	Confident	111 Å²	111	44.4 Å²	44.4	52%	0.519	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-69.2	-19.4	174.4	-55.4	-169.9	155.3	0	0	112.5	D1518 Q1526 P1527	D1518-E1520 PolarHBondContact O-N 2.86Å; D1518-E1520 PolarHBondContact OD1-N 3.42Å; E1520-Q1526 PolarHBondContact N-O 2.83Å; E1520-P1527 HydrophobicContact CG-CB 4.35Å; E1520-P1527 WeakPolarHBondContact OE1-CB 3.24Å
1521	R	76.6	Confident	81.9	Confident	145 Å²	145	42.4 Å²	42.4	55%	0.547	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-96.2	6.1	178.8	-54.3	-175.2	-164.3	-148	-4.5	113	D1518 G1519 R1597 K1598	D1518-R1521 HydrophobicContact CB-CB 4.3Å; D1518-R1521 HydrophobicContact CB-CG 3.91Å; D1518-R1521 PolarHBondContact O-N 2.8Å; D1518-R1521 IonicContact OD2-CZ 3.77Å; D1518-R1521 IonicContact OD2-NE 2.85Å; D1518-R1521 PolarHBondContact OD2-NE 2.96Å; D1518-R1521 IonicContact OD2-NH2 2.96Å; G1519-R1521 PolarHBondContact O-N 2.96Å; R1521-R1597 WeakPolarHBondContact O-CA 3.44Å; R1521-K1598 PolarHBondContact O-N 3.25Å
1522	T	80.1	Confident	82.2	Confident	2 Å²	2	44 Å²	44	1%	0.012	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-120.4	168.4	179.9	65.6	0	0	0	0	110.9	V1517 G1519 L1524 D1525 L1594 K1596	V1517-T1522 HydrophobicContact CB-CG2 3.99Å; V1517-T1522 HydrophobicContact CG1-CG2 4.41Å; V1517-T1522 HydrophobicContact CG2-CG2 3.98Å; G1519-T1522 PolarHBondContact O-N 3.03Å; G1519-T1522 PolarHBondContact O-OG1 3.08Å; T1522-L1524 PolarHBondContact O-N 3.29Å; T1522-L1524 WeakPolarHBondContact OG1-CB 3.25Å; T1522-D1525 PolarHBondContact O-N 2.89Å; T1522-D1525 VanDerWaalsContact O-N 3.13Å; T1522-L1594 VanDerWaalsContact CB-O 3.28Å; T1522-L1594 WeakPolarHBondContact CB-O 3.34Å; T1522-L1594 PolarHBondContact OG1-O 2.84Å; T1522-K1596 WeakPolarHBondContact CA-O 3.35Å; T1522-K1596 WeakPolarHBondContact CB-O 3.29Å
1523	S	73	Confident	82.2	Confident	67 Å²	67	45.1 Å²	45.1	47%	0.469	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-3.3	175.4	-58.3	0	0	0	0	114.3	L1594 K1596	S1523-L1594 CarbonylContact C-O 3.18Å; S1523-L1594 PolarHBondContact N-O 3.42Å; S1523-K1596 PolarHBondContact N-O 3.08Å; S1523-K1596 VanDerWaalsContact N-O 3.17Å
1524	L	74.7	Confident	82.2	Confident	16 Å²	16	46.1 Å²	46.1	8%	0.084	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-32.3	170.2	-176	60.4	0	0	0	113.5	T1522 Q1526 F1530 L1588 L1594 L1595	T1522-L1524 PolarHBondContact O-N 3.29Å; T1522-L1524 WeakPolarHBondContact OG1-CB 3.25Å; L1524-Q1526 VanDerWaalsContact C-N 3.32Å; L1524-Q1526 HydrophobicContact CD1-CG 4.48Å; L1524-Q1526 HydrophobicContact CD2-CB 4.45Å; L1524-Q1526 HydrophobicContact CG-CB 4.1Å; L1524-Q1526 HydrophobicContact CG-CG 4.19Å; L1524-Q1526 PolarHBondContact O-N 2.99Å; L1524-F1530 HydrophobicContact CD2-CD1 4.04Å; L1524-F1530 HydrophobicContact CD2-CD2 4.1Å; L1524-F1530 HydrophobicContact CD2-CE1 3.67Å; L1524-F1530 HydrophobicContact CD2-CE2 3.75Å; L1524-F1530 HydrophobicContact CD2-CG 4.24Å; L1524-F1530 HydrophobicContact CD2-CZ 3.51Å; L1524-L1588 HydrophobicContact CD1-CD1 4.33Å; L1524-L1588 HydrophobicContact CD1-CD2 3.65Å; L1524-L1588 HydrophobicContact CD2-CD1 4.22Å; L1524-L1594 HydrophobicContact CB-CB 4.33Å; L1524-L1594 HydrophobicContact CD1-CD1 4.3Å; L1524-L1594 PolarHBondContact N-O 3.12Å; L1524-L1595 HydrophobicContact CD2-CD2 4.09Å
1525	D	73.3	Confident	82.1	Confident	97 Å²	97	46.4 Å²	46.4	52%	0.519	25%	0.252	S	S	.	.			trans	51.6	41.9	179	-133.6	-19.2	0	0	0	114.4	G1519 T1522 K1598	G1519-D1525 PolarHBondContact O-N 3.13Å; T1522-D1525 PolarHBondContact O-N 2.89Å; T1522-D1525 VanDerWaalsContact O-N 3.13Å; D1525-K1598 IonicContact OD1-NZ 2.64Å; D1525-K1598 IonicContact OD2-NZ 3.19Å; D1525-K1598 PolarHBondContact OD2-NZ 3.24Å
1526	Q	70.3	Confident	81.9	Confident	94 Å²	94	48 Å²	48	44%	0.439	26%	0.264	S	S	.	.			trans	-129.6	134.8	-179.7	-69.5	178.7	19.3	0	0	112.9	G1519 E1520 L1524 G1528	G1519-Q1526 CarbonylContact C-O 3.59Å; G1519-Q1526 WeakPolarHBondContact CA-O 3.09Å; E1520-Q1526 PolarHBondContact N-O 2.83Å; L1524-Q1526 VanDerWaalsContact C-N 3.32Å; L1524-Q1526 HydrophobicContact CD1-CG 4.48Å; L1524-Q1526 HydrophobicContact CD2-CB 4.45Å; L1524-Q1526 HydrophobicContact CG-CB 4.1Å; L1524-Q1526 HydrophobicContact CG-CG 4.19Å; L1524-Q1526 PolarHBondContact O-N 2.99Å; Q1526-G1528 PolarHBondContact O-N 2.78Å
1527	P	72.7	Confident	81.6	Confident	77 Å²	77	54 Å²	54	50%	0.5	30%	0.295	S	S	.	.	S	Bend	trans	-62.6	120.3	175.2	22.7	-32.3	0	0	0	111.3	E1520 R1551	E1520-P1527 HydrophobicContact CG-CB 4.35Å; E1520-P1527 WeakPolarHBondContact OE1-CB 3.24Å; P1527-R1551 PolarHBondContact O-NH1 3.21Å; P1527-R1551 PolarHBondContact O-NH2 3.04Å
1528	G	83.2	Confident	81.6	Confident	17 Å²	17	53.5 Å²	53.5	18%	0.175	29%	0.293	C	S	.	.	S	Bend	trans	158.6	169.7	177.2	0	0	0	0	0	113.3	G1519 Q1526 F1530	G1519-G1528 PolarHBondContact N-O 3.44Å; Q1526-G1528 PolarHBondContact O-N 2.78Å; G1528-F1530 WeakPolarHBondContact O-CD2 3.4Å
1529	I	88.5	Confident	81.5	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.041	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.7	179.8	-64.8	145.1	0	0	0	108.6	L1516 V1517 R1551 I1552 L1560 Y1565 A1568	L1516-I1529 HydrophobicContact CB-CG2 4.14Å; L1516-I1529 HydrophobicContact CD1-CG2 3.93Å; L1516-I1529 HydrophobicContact CD2-CG2 4.47Å; L1516-I1529 HydrophobicContact CG-CG2 4.41Å; V1517-I1529 WeakPolarHBondContact O-CA 3.49Å; I1529-R1551 WeakPolarHBondContact O-CA 3.38Å; I1529-I1552 HydrophobicContact CG2-CD1 4.48Å; I1529-I1552 PolarHBondContact O-N 2.76Å; I1529-L1560 HydrophobicContact CD1-CB 4.18Å; I1529-L1560 HydrophobicContact CD1-CD1 3.94Å; I1529-Y1565 HydrophobicContact CG1-CD2 4.14Å; I1529-A1568 HydrophobicContact CD1-CB 3.26Å; I1529-A1568 HydrophobicContact CG1-CB 4.45Å
1530	F	89.1	Confident	81.9	Confident	9 Å²	9	54.2 Å²	54.2	4%	0.039	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.8	-171.3	-60.3	-95.9	0	0	0	111.6	L1516 V1517 L1524 G1528 K1532 D1550 R1551 L1595	L1516-F1530 CarbonylContact C-O 3.58Å; L1516-F1530 WeakPolarHBondContact CA-O 3.37Å; V1517-F1530 HydrophobicContact CG2-CB 4.21Å; V1517-F1530 PolarHBondContact N-O 2.54Å; V1517-F1530 PolarHBondContact O-N 3.02Å; L1524-F1530 HydrophobicContact CD2-CD1 4.04Å; L1524-F1530 HydrophobicContact CD2-CD2 4.1Å; L1524-F1530 HydrophobicContact CD2-CE1 3.67Å; L1524-F1530 HydrophobicContact CD2-CE2 3.75Å; L1524-F1530 HydrophobicContact CD2-CG 4.24Å; L1524-F1530 HydrophobicContact CD2-CZ 3.51Å; G1528-F1530 WeakPolarHBondContact O-CD2 3.4Å; F1530-K1532 PolarHBondContact O-N 2.81Å; F1530-D1550 CarbonylContact C-O 3.54Å; F1530-D1550 WeakPolarHBondContact CA-O 3.33Å; F1530-R1551 HydrophobicContact CD1-CB 3.78Å; F1530-R1551 HydrophobicContact CD1-CG 4.22Å; F1530-R1551 HydrophobicContact CE1-CB 3.69Å; F1530-R1551 HydrophobicContact CE1-CG 3.91Å; F1530-R1551 HydrophobicContact CZ-CB 4.46Å; F1530-R1551 HydrophobicContact CZ-CG 4.19Å; F1530-L1595 HydrophobicContact CB-CD1 3.98Å; F1530-L1595 HydrophobicContact CB-CD2 3.91Å; F1530-L1595 HydrophobicContact CG-CD2 4.29Å
1531	V	90.1	Very high	82.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	106	176.4	-179.8	0	0	0	0	109.6	L1514 L1516 V1534 F1546 L1548 G1549 D1550 L1595	L1514-V1531 HydrophobicContact CD2-CG1 4.22Å; L1514-V1531 HydrophobicContact CD2-CG2 4.39Å; L1516-V1531 HydrophobicContact CD2-CG2 3.92Å; V1531-V1534 HydrophobicContact CG1-CG2 4.09Å; V1531-F1546 HydrophobicContact CG2-CD1 4.19Å; V1531-L1548 WeakPolarHBondContact O-CA 3.39Å; V1531-G1549 PolarHBondContact O-N 2.85Å; V1531-D1550 HydrophobicContact CB-CB 4.45Å; V1531-D1550 HydrophobicContact CG2-CB 4.21Å; V1531-D1550 PolarHBondContact N-O 2.97Å; V1531-L1595 WeakPolarHBondContact O-CD1 3.4Å
1532	K	88.1	Confident	82.7	Confident	90 Å²	90	53.4 Å²	53.4	39%	0.391	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-33.9	177.3	-162.5	-156.9	-178	-174.1	0	112.5	V1515 V1517 F1530 L1548 L1595	V1515-K1532 HydrophobicContact CG1-CB 4.26Å; V1515-K1532 HydrophobicContact CG1-CD 4.37Å; V1515-K1532 WeakPolarHBondContact O-CB 3.49Å; V1515-K1532 PolarHBondContact O-N 2.91Å; V1517-K1532 HydrophobicContact CG1-CB 3.84Å; V1517-K1532 HydrophobicContact CG1-CD 3.75Å; V1517-K1532 HydrophobicContact CG1-CG 3.91Å; V1517-K1532 HydrophobicContact CG2-CB 4.01Å; V1517-K1532 HydrophobicContact CG2-CG 4.4Å; F1530-K1532 PolarHBondContact O-N 2.81Å; K1532-L1548 WeakPolarHBondContact O-CD1 3.41Å; K1532-L1548 VanDerWaalsContact O-CG 3.23Å; K1532-L1548 WeakPolarHBondContact O-CG 3.46Å; K1532-L1595 HydrophobicContact CG-CB 4.23Å
1533	S	85.3	Confident	82.9	Confident	45 Å²	45	56.5 Å²	56.5	32%	0.315	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	164.3	171.9	51.9	0	0	0	0	110.1	V1515	V1515-S1533 WeakPolarHBondContact CB-OG 3.15Å; V1515-S1533 WeakPolarHBondContact CG2-OG 3.22Å; V1515-S1533 PolarHBondContact N-O 2.91Å; V1515-S1533 PolarHBondContact O-N 3.39Å
1534	V	86.7	Confident	83.4	Confident	39 Å²	39	56 Å²	56	24%	0.236	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.5	168.2	-170.1	0	0	0	0	107	G1513 L1514 V1531 A1540 E1541 F1546	G1513-V1534 CarbonylContact O-C 3.2Å; G1513-V1534 WeakPolarHBondContact O-CA 3.23Å; L1514-V1534 HydrophobicContact CD2-CG2 4.19Å; V1531-V1534 HydrophobicContact CG1-CG2 4.09Å; V1534-A1540 HydrophobicContact CG1-CB 3.68Å; V1534-E1541 HydrophobicContact CG1-CB 3.88Å; V1534-F1546 HydrophobicContact CG2-CB 4.05Å
1535	A	85.5	Confident	83.8	Confident	34 Å²	34	57.5 Å²	57.5	28%	0.281	34%	0.335	S	S	.	.			trans	-78	141.1	-178.7	0	0	0	0	0	111.2	G1513 S1538	G1513-A1535 PolarHBondContact O-N 2.85Å; A1535-S1538 WeakPolarHBondContact O-CB 3.49Å; A1535-S1538 PolarHBondContact O-N 3.37Å; A1535-S1538 PolarHBondContact O-OG 2.68Å
1536	P	82.3	Confident	84.5	Confident	99 Å²	99	53.6 Å²	53.6	64%	0.643	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	147.6	179.3	27.4	-34.8	0	0	0	112	S1538 E1541	P1536-S1538 PolarHBondContact O-N 2.73Å; P1536-E1541 WeakPolarHBondContact CA-OE2 3.22Å
1537	N	83	Confident	85.1	Confident	139 Å²	139	56.5 Å²	56.5	74%	0.743	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	26.6	-175.9	-55.3	-59.8	0	0	0	114.3	E1541	N1537-E1541 PolarHBondContact N-OE2 2.77Å
1538	S	85.8	Confident	85.6	Confident	13 Å²	13	55.2 Å²	55.2	9%	0.091	31%	0.309	C	S	.	.	S	Bend	trans	-102.9	162.4	-178.1	75	0	0	0	0	113.8	A1535 P1536 A1540 E1541 M1542	A1535-S1538 WeakPolarHBondContact O-CB 3.49Å; A1535-S1538 PolarHBondContact O-N 3.37Å; A1535-S1538 PolarHBondContact O-OG 2.68Å; P1536-S1538 PolarHBondContact O-N 2.73Å; S1538-A1540 VanDerWaalsContact C-N 3.26Å; S1538-A1540 PolarHBondContact O-N 2.81Å; S1538-E1541 PolarHBondContact O-N 2.86Å; S1538-E1541 PolarHBondContact OG-N 2.84Å; S1538-M1542 WeakPolarHBondContact O-CG 3.5Å; S1538-M1542 PolarHBondContact O-N 2.87Å
1539	V	84.9	Confident	85.7	Confident	36 Å²	36	54.5 Å²	54.5	22%	0.218	30%	0.301	C	S	.	.	H	α-helix	trans	-54.1	-40.8	178.3	-178.1	0	0	0	0	112.3	L1504 Y1505 K1506 N1543	L1504-V1539 HydrophobicContact CB-CG1 4.03Å; L1504-V1539 HydrophobicContact CD1-CG1 4.38Å; L1504-V1539 HydrophobicContact CD2-CG1 4.28Å; L1504-V1539 HydrophobicContact CG-CG1 4.46Å; Y1505-V1539 WeakPolarHBondContact O-CG1 3.25Å; K1506-V1539 HydrophobicContact CB-CG2 4.36Å; V1539-N1543 WeakPolarHBondContact O-CB 3.42Å; V1539-N1543 PolarHBondContact O-N 3.02Å; V1539-N1543 VanDerWaalsContact O-N 3.1Å
1540	A	87.7	Confident	85.8	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.008	30%	0.3	C	S	.	.	H	α-helix	trans	-70.3	-33.1	177.3	0	0	0	0	0	113.4	L1504 F1512 L1514 V1534 S1538 G1544 F1546	L1504-A1540 HydrophobicContact CD1-CB 3.95Å; F1512-A1540 WeakPolarHBondContact O-CB 3.5Å; F1512-A1540 PolarHBondContact O-N 2.76Å; L1514-A1540 HydrophobicContact CD2-CB 3.54Å; L1514-A1540 HydrophobicContact CG-CB 3.88Å; V1534-A1540 HydrophobicContact CG1-CB 3.68Å; S1538-A1540 VanDerWaalsContact C-N 3.26Å; S1538-A1540 PolarHBondContact O-N 2.81Å; A1540-G1544 PolarHBondContact O-N 3.48Å; A1540-F1546 HydrophobicContact CB-CD2 4.03Å; A1540-F1546 HydrophobicContact CB-CE2 4.49Å
1541	E	86.9	Confident	85.7	Confident	91 Å²	91	56 Å²	56	43%	0.425	31%	0.306	S	S	.	.	H	α-helix	trans	-73.5	-46.1	175.2	-171.6	-177.3	-115.9	0	0	111.1	V1534 P1536 N1537 S1538 N1543 G1544	V1534-E1541 HydrophobicContact CG1-CB 3.88Å; P1536-E1541 WeakPolarHBondContact CA-OE2 3.22Å; N1537-E1541 PolarHBondContact N-OE2 2.77Å; S1538-E1541 PolarHBondContact O-N 2.86Å; S1538-E1541 PolarHBondContact OG-N 2.84Å; E1541-N1543 PolarHBondContact O-N 3.29Å; E1541-G1544 WeakPolarHBondContact O-CA 3.21Å; E1541-G1544 PolarHBondContact O-N 3.17Å
1542	M	84.8	Confident	85.8	Confident	148 Å²	148	56.1 Å²	56.1	73%	0.729	31%	0.307	S	S	*	.	H	α-helix	trans	-58.9	-29.9	175.7	-67.3	-179.2	-176.3	0	0	112.5	S1538	S1538-M1542 WeakPolarHBondContact O-CG 3.5Å; S1538-M1542 PolarHBondContact O-N 2.87Å
1543	N	84.9	Confident	85.8	Confident	66 Å²	66	52.5 Å²	52.5	35%	0.353	29%	0.292	S	S	.	.	H	α-helix	trans	-75.4	-22.2	173.6	-164.5	-98.4	0	0	0	113.1	V1502 L1504 V1539 E1541 T1545	V1502-N1543 WeakPolarHBondContact CG1-OD1 3.49Å; L1504-N1543 HydrophobicContact CD2-CB 3.54Å; V1539-N1543 WeakPolarHBondContact O-CB 3.42Å; V1539-N1543 PolarHBondContact O-N 3.02Å; V1539-N1543 VanDerWaalsContact O-N 3.1Å; E1541-N1543 PolarHBondContact O-N 3.29Å; N1543-T1545 PolarHBondContact O-N 2.76Å; N1543-T1545 WeakPolarHBondContact OD1-CB 3.36Å; N1543-T1545 WeakPolarHBondContact OD1-CG2 3.42Å; N1543-T1545 PolarHBondContact OD1-OG1 3.36Å
1544	G	83.2	Confident	85.9	Confident	57 Å²	57	50.4 Å²	50.4	59%	0.588	28%	0.277	S	S	*	.			trans	66.2	-1.6	172.8	0	0	0	0	0	116.7	A1540 E1541	A1540-G1544 PolarHBondContact O-N 3.48Å; E1541-G1544 WeakPolarHBondContact O-CA 3.21Å; E1541-G1544 PolarHBondContact O-N 3.17Å
1545	T	83.4	Confident	86	Confident	48 Å²	48	48.5 Å²	48.5	29%	0.294	27%	0.266	S	S	.	.			trans	-83.9	-42.4	-173.3	50.7	0	0	0	0	113.2	V1502 N1543 R1585	V1502-T1545 HydrophobicContact CG1-CG2 4.49Å; V1502-T1545 WeakPolarHBondContact CG1-OG1 3.49Å; V1502-T1545 HydrophobicContact CG2-CG2 4.4Å; N1543-T1545 PolarHBondContact O-N 2.76Å; N1543-T1545 WeakPolarHBondContact OD1-CB 3.36Å; N1543-T1545 WeakPolarHBondContact OD1-CG2 3.42Å; N1543-T1545 PolarHBondContact OD1-OG1 3.36Å; T1545-R1585 VanDerWaalsContact O-CZ 3.26Å; T1545-R1585 PolarHBondContact O-NH1 2.94Å; T1545-R1585 PolarHBondContact O-NH2 3.03Å
1546	F	87.5	Confident	86	Confident	14 Å²	14	50 Å²	50	6%	0.061	27%	0.269	C	S	.	.			trans	-68.3	143	-177.5	-72.5	-85.6	0	0	0	112.3	V1502 L1504 L1514 V1531 V1534 A1540 F1581 V1583	V1502-F1546 HydrophobicContact CB-CE2 4.15Å; V1502-F1546 HydrophobicContact CB-CZ 4.15Å; V1502-F1546 HydrophobicContact CG1-CD2 4.18Å; V1502-F1546 HydrophobicContact CG1-CE2 3.47Å; V1502-F1546 VanDerWaalsContact CG1-CE2 3.47Å; V1502-F1546 HydrophobicContact CG1-CZ 3.97Å; L1504-F1546 HydrophobicContact CD1-CE2 3.75Å; L1504-F1546 HydrophobicContact CD1-CZ 4.41Å; L1504-F1546 HydrophobicContact CD2-CE2 4.03Å; L1504-F1546 HydrophobicContact CG-CE2 3.95Å; L1514-F1546 HydrophobicContact CD1-CD1 4.19Å; L1514-F1546 HydrophobicContact CD1-CE1 3.76Å; L1514-F1546 HydrophobicContact CD1-CE2 4.28Å; L1514-F1546 HydrophobicContact CD1-CZ 3.82Å; L1514-F1546 HydrophobicContact CD2-CB 4.03Å; L1514-F1546 HydrophobicContact CD2-CD1 3.82Å; L1514-F1546 HydrophobicContact CD2-CD2 4.07Å; L1514-F1546 HydrophobicContact CD2-CE1 4.25Å; L1514-F1546 HydrophobicContact CD2-CE2 4.48Å; L1514-F1546 HydrophobicContact CD2-CG 3.71Å; V1531-F1546 HydrophobicContact CG2-CD1 4.19Å; V1534-F1546 HydrophobicContact CG2-CB 4.05Å; A1540-F1546 HydrophobicContact CB-CD2 4.03Å; A1540-F1546 HydrophobicContact CB-CE2 4.49Å; F1546-F1581 HydrophobicContact CE1-CB 4.36Å; F1546-F1581 HydrophobicContact CE1-CD1 4.5Å; F1546-F1581 HydrophobicContact CE1-CG 4.41Å; F1546-F1581 HydrophobicContact CZ-CB 3.92Å; F1546-F1581 HydrophobicContact CZ-CD1 4.19Å; F1546-F1581 AromaticContact CZ-CD2 3.96Å; F1546-F1581 HydrophobicContact CZ-CD2 3.96Å; F1546-F1581 AromaticContact CZ-CG 3.79Å; F1546-F1581 HydrophobicContact CZ-CG 3.79Å; F1546-V1583 HydrophobicContact CD1-CG2 4.37Å; F1546-V1583 HydrophobicContact CE1-CG2 3.63Å; F1546-V1583 HydrophobicContact CZ-CG2 4.19Å
1547	R	83.2	Confident	85.9	Confident	156 Å²	156	45.6 Å²	45.6	59%	0.589	24%	0.242	S	C	*	.			trans	-133.6	159.8	174.8	-68.9	-178.9	-172.4	172.4	1	111.7	G1549 D1550	R1547-G1549 PolarHBondContact O-N 2.81Å; R1547-D1550 PolarHBondContact N-OD2 2.94Å; R1547-D1550 WeakPolarHBondContact O-CB 3.36Å; R1547-D1550 VanDerWaalsContact O-CG 3.32Å; R1547-D1550 PolarHBondContact O-N 3.3Å; R1547-D1550 VanDerWaalsContact O-N 3.16Å
1548	L	84.1	Confident	85.7	Confident	50 Å²	50	42.7 Å²	42.7	26%	0.262	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	126.9	176.2	-151.2	157.5	0	0	0	109.9	V1531 K1532 C1586 P1591 Q1592 L1595	V1531-L1548 WeakPolarHBondContact O-CA 3.39Å; K1532-L1548 WeakPolarHBondContact O-CD1 3.41Å; K1532-L1548 VanDerWaalsContact O-CG 3.23Å; K1532-L1548 WeakPolarHBondContact O-CG 3.46Å; L1548-C1586 PolarHBondContact O-SG 3.34Å; L1548-P1591 VanDerWaalsContact CD2-C 3.49Å; L1548-P1591 HydrophobicContact CD2-CB 3.71Å; L1548-P1591 HydrophobicContact CD2-CG 4.09Å; L1548-P1591 VanDerWaalsContact CD2-O 3.28Å; L1548-P1591 WeakPolarHBondContact CD2-O 3.15Å; L1548-Q1592 HydrophobicContact CD1-CG 3.74Å; L1548-Q1592 HydrophobicContact CD2-CG 4.1Å; L1548-L1595 HydrophobicContact CD2-CD1 4.2Å
1549	G	84.8	Confident	85.5	Confident	2 Å²	2	43.5 Å²	43.5	2%	0.021	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	1.3	-175.7	0	0	0	0	0	115.8	V1531 R1547 C1586	V1531-G1549 PolarHBondContact O-N 2.85Å; R1547-G1549 PolarHBondContact O-N 2.81Å; G1549-C1586 VanDerWaalsContact C-CB 3.43Å; G1549-C1586 VanDerWaalsContact CA-SG 3.53Å; G1549-C1586 WeakPolarHBondContact O-CB 3.35Å; G1549-C1586 PolarHBondContact O-SG 3.08Å; G1549-C1586 VanDerWaalsContact O-SG 3.38Å
1550	D	90	Very high	85.5	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-64.3	139	170.5	-77.9	-14	0	0	0	110.5	F1530 V1531 R1547 V1583 R1585 C1586	F1530-D1550 CarbonylContact C-O 3.54Å; F1530-D1550 WeakPolarHBondContact CA-O 3.33Å; V1531-D1550 HydrophobicContact CB-CB 4.45Å; V1531-D1550 HydrophobicContact CG2-CB 4.21Å; V1531-D1550 PolarHBondContact N-O 2.97Å; R1547-D1550 PolarHBondContact N-OD2 2.94Å; R1547-D1550 WeakPolarHBondContact O-CB 3.36Å; R1547-D1550 VanDerWaalsContact O-CG 3.32Å; R1547-D1550 PolarHBondContact O-N 3.3Å; R1547-D1550 VanDerWaalsContact O-N 3.16Å; D1550-V1583 HydrophobicContact CB-CG1 3.7Å; D1550-R1585 WeakPolarHBondContact OD1-CD 3.36Å; D1550-R1585 IonicContact OD1-NH1 3.99Å; D1550-R1585 PolarHBondContact OD1-NH1 3.1Å; D1550-R1585 IonicContact OD2-CZ 2.66Å; D1550-R1585 IonicContact OD2-NH1 3.81Å; D1550-R1585 PolarHBondContact OD2-NH1 2.95Å; D1550-C1586 WeakPolarHBondContact OD1-CB 3.41Å; D1550-C1586 PolarHBondContact OD1-N 3.15Å
1551	R	88.6	Confident	84.8	Confident	47 Å²	47	44.9 Å²	44.9	18%	0.177	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.2	178	-178.9	-175.2	172.7	133.3	7.7	110.4	P1527 I1529 F1530 L1553 L1584	P1527-R1551 PolarHBondContact O-NH1 3.21Å; P1527-R1551 PolarHBondContact O-NH2 3.04Å; I1529-R1551 WeakPolarHBondContact O-CA 3.38Å; F1530-R1551 HydrophobicContact CD1-CB 3.78Å; F1530-R1551 HydrophobicContact CD1-CG 4.22Å; F1530-R1551 HydrophobicContact CE1-CB 3.69Å; F1530-R1551 HydrophobicContact CE1-CG 3.91Å; F1530-R1551 HydrophobicContact CZ-CB 4.46Å; F1530-R1551 HydrophobicContact CZ-CG 4.19Å; R1551-L1553 HydrophobicContact CG-CD2 4.13Å; R1551-L1584 HydrophobicContact CB-CB 4.26Å; R1551-L1584 HydrophobicContact CB-CD2 4.47Å; R1551-L1584 PolarHBondContact N-O 2.93Å; R1551-L1584 PolarHBondContact O-N 2.94Å
1552	I	90.6	Very high	83.9	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.015	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	119.7	173.9	-52.6	175.5	0	0	0	108.1	L1514 L1516 I1529 I1555 L1560 F1581	L1514-I1552 HydrophobicContact CD1-CD1 4.46Å; L1516-I1552 HydrophobicContact CD1-CD1 4Å; L1516-I1552 HydrophobicContact CD2-CD1 3.65Å; I1529-I1552 HydrophobicContact CG2-CD1 4.48Å; I1529-I1552 PolarHBondContact O-N 2.76Å; I1552-I1555 HydrophobicContact CG2-CD1 4.42Å; I1552-I1555 HydrophobicContact CG2-CG1 4Å; I1552-L1560 HydrophobicContact CB-CD1 4.16Å; I1552-L1560 HydrophobicContact CG2-CD1 3.6Å; I1552-F1581 HydrophobicContact CD1-CD1 4.07Å; I1552-F1581 HydrophobicContact CD1-CE1 4.33Å; I1552-F1581 HydrophobicContact CG2-CD1 4.17Å
1553	L	88.4	Confident	83.5	Confident	14 Å²	14	41.7 Å²	41.7	7%	0.073	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-38.4	178.9	-61.1	-174.3	0	0	0	112.5	V1489 V1499 R1551 L1560 T1561 T1582 L1584	V1489-L1553 HydrophobicContact CG1-CB 4.02Å; V1489-L1553 HydrophobicContact CG1-CD1 4.21Å; V1499-L1553 HydrophobicContact CG1-CD1 4.4Å; V1499-L1553 HydrophobicContact CG2-CD1 4.05Å; R1551-L1553 HydrophobicContact CG-CD2 4.13Å; L1553-L1560 PolarHBondContact O-N 3.45Å; L1553-T1561 HydrophobicContact CD2-CG2 4.03Å; L1553-T1582 HydrophobicContact CB-CG2 4.4Å; L1553-T1582 PolarHBondContact N-O 3.03Å; L1553-L1584 HydrophobicContact CD1-CB 3.94Å; L1553-L1584 HydrophobicContact CD2-CB 4.13Å; L1553-L1584 HydrophobicContact CD2-CD2 4.46Å; L1553-L1584 HydrophobicContact CG-CB 3.91Å
1554	A	87.5	Confident	83.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155.9	179.7	0	0	0	0	0	111.8	R1558 T1582	A1554-R1558 CarbonylContact C-O 3.58Å; A1554-R1558 WeakPolarHBondContact CA-O 3.21Å; A1554-R1558 VanDerWaalsContact CB-O 3.31Å; A1554-R1558 WeakPolarHBondContact CB-O 3.27Å; A1554-T1582 PolarHBondContact N-O 3.25Å; A1554-T1582 PolarHBondContact O-N 2.8Å
1555	I	88.8	Confident	83.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	124.2	172	-66.5	164.4	0	0	0	108.6	I1552 G1557 R1558 L1560 L1571 L1572 T1579 F1581	I1552-I1555 HydrophobicContact CG2-CD1 4.42Å; I1552-I1555 HydrophobicContact CG2-CG1 4Å; I1555-G1557 PolarHBondContact O-N 2.82Å; I1555-R1558 PolarHBondContact N-O 3.08Å; I1555-R1558 WeakPolarHBondContact O-CB 3.48Å; I1555-R1558 PolarHBondContact O-N 3.12Å; I1555-L1560 HydrophobicContact CD1-CD1 3.71Å; I1555-L1560 HydrophobicContact CD1-CD2 4.25Å; I1555-L1560 HydrophobicContact CD1-CG 4.45Å; I1555-L1560 HydrophobicContact CG1-CD1 3.99Å; I1555-L1571 HydrophobicContact CB-CD2 3.72Å; I1555-L1571 HydrophobicContact CD1-CD2 4.27Å; I1555-L1571 HydrophobicContact CG2-CD2 3.52Å; I1555-L1572 HydrophobicContact CD1-CD1 4.22Å; I1555-L1572 HydrophobicContact CD1-CD2 3.5Å; I1555-L1572 HydrophobicContact CD1-CG 3.59Å; I1555-T1579 HydrophobicContact CG2-CG2 3.59Å; I1555-F1581 HydrophobicContact CD1-CE1 4.46Å; I1555-F1581 HydrophobicContact CG1-CD1 4.04Å; I1555-F1581 HydrophobicContact CG1-CE1 4.36Å
1556	N	86.4	Confident	82.9	Confident	64 Å²	64	44.8 Å²	44.8	34%	0.342	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	40.4	-176.9	-67.7	-23.9	0	0	0	112.5	R1558 T1579 T1580	N1556-R1558 VanDerWaalsContact C-N 3.25Å; N1556-R1558 PolarHBondContact O-N 2.96Å; N1556-T1579 WeakPolarHBondContact OD1-CA 3.49Å; N1556-T1580 PolarHBondContact N-O 3.3Å; N1556-T1580 PolarHBondContact OD1-N 3.37Å
1557	G	78.7	Confident	82.6	Confident	8 Å²	8	47.7 Å²	47.7	8%	0.082	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-8.7	-176.9	0	0	0	0	0	115.7	A1485 I1555 D1559	A1485-G1557 WeakPolarHBondContact CB-O 3.49Å; I1555-G1557 PolarHBondContact O-N 2.82Å; G1557-D1559 PolarHBondContact O-N 2.93Å
1558	R	80.4	Confident	82.5	Confident	77 Å²	77	40.3 Å²	40.3	29%	0.291	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	114.5	176.1	-61.9	-176.9	173.5	-147.4	-8.8	110.3	L1477 A1554 I1555 N1556 L1560 L1571	L1477-R1558 PolarHBondContact O-NH2 2.83Å; A1554-R1558 CarbonylContact C-O 3.58Å; A1554-R1558 WeakPolarHBondContact CA-O 3.21Å; A1554-R1558 VanDerWaalsContact CB-O 3.31Å; A1554-R1558 WeakPolarHBondContact CB-O 3.27Å; I1555-R1558 PolarHBondContact N-O 3.08Å; I1555-R1558 WeakPolarHBondContact O-CB 3.48Å; I1555-R1558 PolarHBondContact O-N 3.12Å; N1556-R1558 VanDerWaalsContact C-N 3.25Å; N1556-R1558 PolarHBondContact O-N 2.96Å; R1558-L1560 PolarHBondContact O-N 2.61Å; R1558-L1571 HydrophobicContact CB-CD1 3.88Å; R1558-L1571 HydrophobicContact CG-CD1 4.46Å
1559	D	80.6	Confident	82.4	Confident	30 Å²	30	40.4 Å²	40.4	16%	0.16	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	121.3	178.7	-173.2	-6.4	0	0	0	111.3	V1489 R1492 G1557 T1561	V1489-D1559 HydrophobicContact CG2-CB 3.7Å; V1489-D1559 VanDerWaalsContact CG2-CG 3.44Å; V1489-D1559 WeakPolarHBondContact CG2-OD2 3.49Å; R1492-D1559 IonicContact CZ-OD2 3.72Å; R1492-D1559 VanDerWaalsContact CZ-OD2 3.23Å; R1492-D1559 IonicContact NH1-OD2 3.37Å; R1492-D1559 PolarHBondContact NH1-OD2 2.85Å; R1492-D1559 IonicContact NH2-OD2 2.72Å; R1492-D1559 PolarHBondContact NH2-OD2 3.02Å; G1557-D1559 PolarHBondContact O-N 2.93Å; D1559-T1561 VanDerWaalsContact CG-OG1 3.3Å; D1559-T1561 VanDerWaalsContact OD1-CB 3.26Å; D1559-T1561 WeakPolarHBondContact OD1-CB 3.38Å; D1559-T1561 WeakPolarHBondContact OD1-CG2 3.17Å; D1559-T1561 PolarHBondContact OD1-N 2.91Å; D1559-T1561 PolarHBondContact OD1-OG1 2.89Å; D1559-T1561 PolarHBondContact OD2-OG1 2.82Å
1560	L	84.6	Confident	82.2	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.037	23%	0.228	C	C	.	.			trans	-92	-8.9	176.7	-55	-173.9	0	0	0	112.9	I1529 I1552 L1553 I1555 R1558 S1562 M1563 A1568 L1571	I1529-L1560 HydrophobicContact CD1-CB 4.18Å; I1529-L1560 HydrophobicContact CD1-CD1 3.94Å; I1552-L1560 HydrophobicContact CB-CD1 4.16Å; I1552-L1560 HydrophobicContact CG2-CD1 3.6Å; L1553-L1560 PolarHBondContact O-N 3.45Å; I1555-L1560 HydrophobicContact CD1-CD1 3.71Å; I1555-L1560 HydrophobicContact CD1-CD2 4.25Å; I1555-L1560 HydrophobicContact CD1-CG 4.45Å; I1555-L1560 HydrophobicContact CG1-CD1 3.99Å; R1558-L1560 PolarHBondContact O-N 2.61Å; L1560-S1562 PolarHBondContact O-N 3.42Å; L1560-M1563 HydrophobicContact CD2-SD 3.7Å; L1560-M1563 PolarHBondContact O-N 3.14Å; L1560-A1568 HydrophobicContact CD1-CB 4.38Å; L1560-A1568 HydrophobicContact CD2-CB 4.12Å; L1560-L1571 HydrophobicContact CD2-CD1 4.03Å
1561	T	74.2	Confident	81.9	Confident	59 Å²	59	42.8 Å²	42.8	36%	0.362	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.6	-169.7	61.7	0	0	0	0	114	L1553 D1559	L1553-T1561 HydrophobicContact CD2-CG2 4.03Å; D1559-T1561 VanDerWaalsContact CG-OG1 3.3Å; D1559-T1561 VanDerWaalsContact OD1-CB 3.26Å; D1559-T1561 WeakPolarHBondContact OD1-CB 3.38Å; D1559-T1561 WeakPolarHBondContact OD1-CG2 3.17Å; D1559-T1561 PolarHBondContact OD1-N 2.91Å; D1559-T1561 PolarHBondContact OD1-OG1 2.89Å; D1559-T1561 PolarHBondContact OD2-OG1 2.82Å
1562	S	67.6	Low	81.6	Confident	111 Å²	111	41.6 Å²	41.6	78%	0.776	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.9	16.8	172.1	69.5	0	0	0	0	113.9	L1560	L1560-S1562 PolarHBondContact O-N 3.42Å
1563	M	74.9	Confident	81.1	Confident	61 Å²	61	51.4 Å²	51.4	30%	0.3	27%	0.265	S	S	.	.	S	Bend	trans	-98.1	148.7	176.9	-68.4	-171.2	64.8	0	0	110.9	L1560 D1567 L1571	L1560-M1563 HydrophobicContact CD2-SD 3.7Å; L1560-M1563 PolarHBondContact O-N 3.14Å; M1563-D1567 HydrophobicContact CB-CB 4.49Å; M1563-D1567 HydrophobicContact CE-CB 3.46Å; M1563-D1567 VanDerWaalsContact CE-CB 3.46Å; M1563-L1571 HydrophobicContact CE-CD1 3.89Å; M1563-L1571 HydrophobicContact SD-CD1 3.86Å
1564	T	78	Confident	80.6	Confident	81 Å²	81	57.1 Å²	57.1	50%	0.497	29%	0.291	S	S	.	.			trans	-74.8	160.4	172.4	79.9	0	0	0	0	111	K1566 D1567 A1568	T1564-K1566 PolarHBondContact O-N 2.77Å; T1564-K1566 PolarHBondContact OG1-N 2.98Å; T1564-D1567 VanDerWaalsContact CB-OD2 3.27Å; T1564-D1567 WeakPolarHBondContact CB-OD2 3.39Å; T1564-D1567 WeakPolarHBondContact CG2-OD2 3.39Å; T1564-D1567 PolarHBondContact N-OD2 2.81Å; T1564-D1567 PolarHBondContact O-N 2.93Å; T1564-D1567 VanDerWaalsContact O-N 3.16Å; T1564-D1567 PolarHBondContact OG1-N 2.75Å; T1564-D1567 PolarHBondContact OG1-OD2 2.85Å; T1564-A1568 PolarHBondContact O-N 2.78Å
1565	Y	81.6	Confident	80.2	Confident	62 Å²	62	57.7 Å²	57.7	24%	0.243	30%	0.295	C	S	.	.	H	α-helix	trans	-57.4	-35	175.4	-175.1	-102.1	0	0	0	112.8	L1516 D1518 I1529 L1569	L1516-Y1565 HydrophobicContact CB-CE2 4.32Å; L1516-Y1565 PolarHBondContact O-OH 3.24Å; D1518-Y1565 HydrophobicContact CB-CD1 4.38Å; D1518-Y1565 HydrophobicContact CB-CD2 3.69Å; D1518-Y1565 HydrophobicContact CB-CE2 4.26Å; D1518-Y1565 HydrophobicContact CB-CG 3.77Å; I1529-Y1565 HydrophobicContact CG1-CD2 4.14Å; Y1565-L1569 HydrophobicContact CD1-CD1 3.91Å; Y1565-L1569 HydrophobicContact CD1-CG 4.48Å; Y1565-L1569 HydrophobicContact CE1-CD1 3.39Å; Y1565-L1569 HydrophobicContact CE1-CG 4.16Å; Y1565-L1569 WeakPolarHBondContact O-CG 3.28Å; Y1565-L1569 PolarHBondContact O-N 2.94Å; Y1565-L1569 VanDerWaalsContact O-N 3.1Å
1566	K	81.3	Confident	79.2	Confident	93 Å²	93	62.2 Å²	62.2	40%	0.404	32%	0.322	S	S	.	.	H	α-helix	trans	-65.8	-46.3	175.6	-175.3	178.9	176	-179.3	0	111.1	S1469 D1470 T1564 A1568 L1569 A1570	S1469-K1566 PolarHBondContact O-NZ 2.92Å; D1470-K1566 IonicContact OD1-NZ 3.64Å; D1470-K1566 PolarHBondContact OD1-NZ 2.96Å; D1470-K1566 IonicContact OD2-NZ 2.84Å; T1564-K1566 PolarHBondContact O-N 2.77Å; T1564-K1566 PolarHBondContact OG1-N 2.98Å; K1566-A1568 PolarHBondContact O-N 2.72Å; K1566-L1569 PolarHBondContact O-N 2.82Å; K1566-A1570 PolarHBondContact O-N 3.39Å
1567	D	80.4	Confident	78.6	Confident	75 Å²	75	63.6 Å²	63.6	40%	0.401	33%	0.33	S	S	.	.	H	α-helix	trans	-66.2	-39.5	-177.8	-50.4	-46.7	0	0	0	111.8	M1563 T1564 A1570 L1571	M1563-D1567 HydrophobicContact CB-CB 4.49Å; M1563-D1567 HydrophobicContact CE-CB 3.46Å; M1563-D1567 VanDerWaalsContact CE-CB 3.46Å; T1564-D1567 VanDerWaalsContact CB-OD2 3.27Å; T1564-D1567 WeakPolarHBondContact CB-OD2 3.39Å; T1564-D1567 WeakPolarHBondContact CG2-OD2 3.39Å; T1564-D1567 PolarHBondContact N-OD2 2.81Å; T1564-D1567 PolarHBondContact O-N 2.93Å; T1564-D1567 VanDerWaalsContact O-N 3.16Å; T1564-D1567 PolarHBondContact OG1-N 2.75Å; T1564-D1567 PolarHBondContact OG1-OD2 2.85Å; D1567-A1570 WeakPolarHBondContact O-CB 3.39Å; D1567-A1570 PolarHBondContact O-N 2.79Å; D1567-L1571 WeakPolarHBondContact O-CB 3.32Å; D1567-L1571 PolarHBondContact O-N 3.47Å
1568	A	80.5	Confident	78.8	Confident	2 Å²	2	68.2 Å²	68.2	2%	0.017	35%	0.349	C	S	.	.	H	α-helix	trans	-69.3	-36.8	177.4	0	0	0	0	0	112.6	I1529 L1560 T1564 K1566 A1570 L1571 L1572	I1529-A1568 HydrophobicContact CD1-CB 3.26Å; I1529-A1568 HydrophobicContact CG1-CB 4.45Å; L1560-A1568 HydrophobicContact CD1-CB 4.38Å; L1560-A1568 HydrophobicContact CD2-CB 4.12Å; T1564-A1568 PolarHBondContact O-N 2.78Å; K1566-A1568 PolarHBondContact O-N 2.72Å; A1568-A1570 VanDerWaalsContact C-N 3.35Å; A1568-L1571 PolarHBondContact O-N 3.01Å; A1568-L1572 WeakPolarHBondContact O-CG 3.4Å; A1568-L1572 PolarHBondContact O-N 3.28Å
1569	L	82.8	Confident	79.1	Confident	51 Å²	51	64.5 Å²	64.5	27%	0.267	34%	0.335	S	S	.	.	H	α-helix	trans	-65.4	-36.8	169.9	-74.4	-178.4	0	0	0	112	Y1565 K1566 L1572 R1573	Y1565-L1569 HydrophobicContact CD1-CD1 3.91Å; Y1565-L1569 HydrophobicContact CD1-CG 4.48Å; Y1565-L1569 HydrophobicContact CE1-CD1 3.39Å; Y1565-L1569 HydrophobicContact CE1-CG 4.16Å; Y1565-L1569 WeakPolarHBondContact O-CG 3.28Å; Y1565-L1569 PolarHBondContact O-N 2.94Å; Y1565-L1569 VanDerWaalsContact O-N 3.1Å; K1566-L1569 PolarHBondContact O-N 2.82Å; L1569-L1572 HydrophobicContact CD2-CD1 4.19Å; L1569-L1572 PolarHBondContact O-N 3.02Å; L1569-R1573 VanDerWaalsContact O-CG 3.29Å; L1569-R1573 WeakPolarHBondContact O-CG 3.2Å; L1569-R1573 PolarHBondContact O-N 2.82Å
1570	A	80.9	Confident	79.4	Confident	41 Å²	41	64.8 Å²	64.8	34%	0.339	34%	0.338	S	S	.	.	H	α-helix	trans	-64.6	-42.5	173.2	0	0	0	0	0	111.9	K1566 D1567 A1568 L1572 R1573 Q1574	K1566-A1570 PolarHBondContact O-N 3.39Å; D1567-A1570 WeakPolarHBondContact O-CB 3.39Å; D1567-A1570 PolarHBondContact O-N 2.79Å; A1568-A1570 VanDerWaalsContact C-N 3.35Å; A1570-L1572 PolarHBondContact O-N 2.83Å; A1570-R1573 WeakPolarHBondContact O-CB 3.45Å; A1570-R1573 PolarHBondContact O-N 2.97Å; A1570-Q1574 WeakPolarHBondContact O-CG 3.47Å; A1570-Q1574 PolarHBondContact O-N 2.8Å
1571	L	82.4	Confident	79.8	Confident	12 Å²	12	64.5 Å²	64.5	6%	0.063	34%	0.336	C	S	.	.	H	α-helix	trans	-61.8	-42.6	174.8	-164.7	166.9	0	0	0	111.3	I1555 R1558 L1560 M1563 D1567 A1568 R1573 Q1574 C1575	I1555-L1571 HydrophobicContact CB-CD2 3.72Å; I1555-L1571 HydrophobicContact CD1-CD2 4.27Å; I1555-L1571 HydrophobicContact CG2-CD2 3.52Å; R1558-L1571 HydrophobicContact CB-CD1 3.88Å; R1558-L1571 HydrophobicContact CG-CD1 4.46Å; L1560-L1571 HydrophobicContact CD2-CD1 4.03Å; M1563-L1571 HydrophobicContact CE-CD1 3.89Å; M1563-L1571 HydrophobicContact SD-CD1 3.86Å; D1567-L1571 WeakPolarHBondContact O-CB 3.32Å; D1567-L1571 PolarHBondContact O-N 3.47Å; A1568-L1571 PolarHBondContact O-N 3.01Å; L1571-R1573 PolarHBondContact O-N 3.12Å; L1571-Q1574 PolarHBondContact O-N 2.96Å; L1571-C1575 PolarHBondContact O-N 3.12Å; L1571-C1575 PolarHBondContact O-SG 3.09Å
1572	L	83	Confident	80.4	Confident	22 Å²	22	61.7 Å²	61.7	12%	0.115	32%	0.319	C	S	.	.	H	α-helix	trans	-60.5	-40.7	173.3	-79.3	163.7	0	0	0	113	F1512 L1516 I1555 A1568 L1569 A1570 Q1574 C1575 F1581	F1512-L1572 HydrophobicContact CD2-CD2 4.46Å; F1512-L1572 HydrophobicContact CE2-CD2 4.46Å; L1516-L1572 HydrophobicContact CD1-CD1 3.42Å; L1516-L1572 VanDerWaalsContact CD1-CD1 3.42Å; I1555-L1572 HydrophobicContact CD1-CD1 4.22Å; I1555-L1572 HydrophobicContact CD1-CD2 3.5Å; I1555-L1572 HydrophobicContact CD1-CG 3.59Å; A1568-L1572 WeakPolarHBondContact O-CG 3.4Å; A1568-L1572 PolarHBondContact O-N 3.28Å; L1569-L1572 HydrophobicContact CD2-CD1 4.19Å; L1569-L1572 PolarHBondContact O-N 3.02Å; A1570-L1572 PolarHBondContact O-N 2.83Å; L1572-Q1574 VanDerWaalsContact C-N 3.31Å; L1572-Q1574 PolarHBondContact O-N 3.38Å; L1572-C1575 PolarHBondContact O-N 3.3Å; L1572-F1581 HydrophobicContact CD2-CE1 3.68Å; L1572-F1581 HydrophobicContact CD2-CZ 3.99Å
1573	R	80	Confident	81.4	Confident	210 Å²	210	56.5 Å²	56.5	79%	0.792	28%	0.283	S	S	*	.	H	α-helix	trans	-65.4	-32.3	175.3	-71.7	168.2	178.8	-174.5	-1.5	112.4	L1569 A1570 L1571 C1575	L1569-R1573 VanDerWaalsContact O-CG 3.29Å; L1569-R1573 WeakPolarHBondContact O-CG 3.2Å; L1569-R1573 PolarHBondContact O-N 2.82Å; A1570-R1573 WeakPolarHBondContact O-CB 3.45Å; A1570-R1573 PolarHBondContact O-N 2.97Å; L1571-R1573 PolarHBondContact O-N 3.12Å; R1573-C1575 VanDerWaalsContact C-N 3.3Å; R1573-C1575 PolarHBondContact O-N 3.37Å
1574	Q	78.3	Confident	81.9	Confident	134 Å²	134	55.3 Å²	55.3	63%	0.626	28%	0.277	S	S	*	.	H	α-helix	trans	-75.4	-12.3	175.9	-69.9	171	4.7	0	0	113.9	A1570 L1571 L1572 V1576	A1570-Q1574 WeakPolarHBondContact O-CG 3.47Å; A1570-Q1574 PolarHBondContact O-N 2.8Å; L1571-Q1574 PolarHBondContact O-N 2.96Å; L1572-Q1574 VanDerWaalsContact C-N 3.31Å; L1572-Q1574 PolarHBondContact O-N 3.38Å; Q1574-V1576 WeakPolarHBondContact O-CG2 3.48Å; Q1574-V1576 PolarHBondContact O-N 3.31Å
1575	C	78.5	Confident	82.2	Confident	11 Å²	11	54.1 Å²	54.1	7%	0.074	26%	0.264	C	S	.	.			trans	-82	109.2	179.9	-67.2	0	0	0	0	111.3	K1506 F1512 L1571 L1572 R1573 T1579	K1506-C1575 WeakPolarHBondContact CE-O 3.29Å; K1506-C1575 PolarHBondContact NZ-O 3.27Å; F1512-C1575 HydrophobicContact CE2-CB 4.41Å; F1512-C1575 HydrophobicContact CZ-CB 4.15Å; L1571-C1575 PolarHBondContact O-N 3.12Å; L1571-C1575 PolarHBondContact O-SG 3.09Å; L1572-C1575 PolarHBondContact O-N 3.3Å; R1573-C1575 VanDerWaalsContact C-N 3.3Å; R1573-C1575 PolarHBondContact O-N 3.37Å; C1575-T1579 HydrophobicContact CB-CG2 4.18Å; C1575-T1579 WeakPolarHBondContact CB-OG1 3.44Å
1576	V	67.5	Low	82	Confident	95 Å²	95	52.5 Å²	52.5	58%	0.576	26%	0.261	S	S	*	.			trans	-83	-51.9	-164	-162.2	0	0	0	0	114.1	K1506 Q1574	K1506-V1576 WeakPolarHBondContact CE-O 3.5Å; K1506-V1576 PolarHBondContact NZ-O 2.94Å; Q1574-V1576 WeakPolarHBondContact O-CG2 3.48Å; Q1574-V1576 PolarHBondContact O-N 3.31Å
1577	N	74.5	Confident	81.3	Confident	93 Å²	93	53.5 Å²	53.5	50%	0.497	27%	0.271	S	S	.	.	S	Bend	trans	-128	-68.3	-169.7	-61.9	-21.3	0	0	0	113.1	K1506	K1506-N1577 WeakPolarHBondContact CG-O 3.43Å; K1506-N1577 PolarHBondContact N-O 2.99Å
1578	Q	82.6	Confident	80.8	Confident	105 Å²	105	51.9 Å²	51.9	49%	0.491	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	134.5	179.5	-177.9	-176.6	23.6	0	0	109.4	T1503 Y1505	T1503-Q1578 HydrophobicContact CG2-CG 3.64Å; Y1505-Q1578 HydrophobicContact CD1-CB 4.06Å; Y1505-Q1578 HydrophobicContact CD1-CG 3.87Å; Y1505-Q1578 HydrophobicContact CE1-CB 4.13Å; Y1505-Q1578 HydrophobicContact CE1-CG 3.51Å; Y1505-Q1578 VanDerWaalsContact CE1-NE2 3.33Å; Y1505-Q1578 PolarHBondContact OH-NE2 3.01Å
1579	T	87.2	Confident	80.4	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	119.5	-178.4	-53	0	0	0	0	111	T1503 L1504 F1512 I1555 N1556 C1575 F1581	T1503-T1579 WeakPolarHBondContact CA-O 3.46Å; L1504-T1579 PolarHBondContact N-O 2.95Å; L1504-T1579 PolarHBondContact O-N 3.5Å; F1512-T1579 HydrophobicContact CE1-CG2 4.48Å; F1512-T1579 WeakPolarHBondContact CE1-OG1 3.39Å; F1512-T1579 HydrophobicContact CZ-CG2 4.25Å; F1512-T1579 WeakPolarHBondContact CZ-OG1 3.44Å; I1555-T1579 HydrophobicContact CG2-CG2 3.59Å; N1556-T1579 WeakPolarHBondContact OD1-CA 3.49Å; C1575-T1579 HydrophobicContact CB-CG2 4.18Å; C1575-T1579 WeakPolarHBondContact CB-OG1 3.44Å; T1579-F1581 HydrophobicContact CG2-CD2 3.97Å; T1579-F1581 HydrophobicContact CG2-CE2 3.48Å; T1579-F1581 VanDerWaalsContact CG2-CE2 3.48Å; T1579-F1581 HydrophobicContact CG2-CZ 3.8Å; T1579-F1581 WeakPolarHBondContact O-CD2 3.35Å
1580	T	87.5	Confident	80.3	Confident	36 Å²	36	59.2 Å²	59.2	22%	0.221	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	115.4	174.3	-57.7	0	0	0	0	110	N1501 V1502 T1503 N1556	N1501-T1580 HydrophobicContact CB-CG2 3.95Å; V1502-T1580 WeakPolarHBondContact O-CA 3.22Å; T1503-T1580 WeakPolarHBondContact CG2-OG1 3.4Å; T1503-T1580 PolarHBondContact OG1-OG1 3.41Å; N1556-T1580 PolarHBondContact N-O 3.3Å; N1556-T1580 PolarHBondContact OD1-N 3.37Å
1581	F	91.5	Very high	80.1	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.4	175.1	-61.5	-106	0	0	0	108.8	N1501 V1502 L1504 F1512 L1514 F1546 I1552 I1555 L1572 T1579 V1583	N1501-F1581 CarbonylContact C-O 3.54Å; N1501-F1581 WeakPolarHBondContact CA-O 3.3Å; V1502-F1581 PolarHBondContact N-O 3.09Å; V1502-F1581 PolarHBondContact O-N 3.38Å; L1504-F1581 HydrophobicContact CB-CE2 4.23Å; L1504-F1581 HydrophobicContact CD1-CD2 4.5Å; L1504-F1581 HydrophobicContact CD1-CE2 3.9Å; L1504-F1581 HydrophobicContact CD1-CZ 4.48Å; L1504-F1581 HydrophobicContact CG-CD2 4.33Å; L1504-F1581 HydrophobicContact CG-CE2 4.05Å; F1512-F1581 HydrophobicContact CD1-CE2 4.21Å; F1512-F1581 HydrophobicContact CD1-CZ 4.17Å; F1512-F1581 HydrophobicContact CD2-CZ 4.21Å; F1512-F1581 HydrophobicContact CE1-CE2 4.4Å; F1512-F1581 HydrophobicContact CE1-CZ 4.48Å; F1512-F1581 HydrophobicContact CG-CZ 4.05Å; L1514-F1581 HydrophobicContact CD1-CD1 4.34Å; L1514-F1581 HydrophobicContact CD1-CE1 3.79Å; L1514-F1581 HydrophobicContact CD1-CZ 4.06Å; F1546-F1581 HydrophobicContact CE1-CB 4.36Å; F1546-F1581 HydrophobicContact CE1-CD1 4.5Å; F1546-F1581 HydrophobicContact CE1-CG 4.41Å; F1546-F1581 HydrophobicContact CZ-CB 3.92Å; F1546-F1581 HydrophobicContact CZ-CD1 4.19Å; F1546-F1581 AromaticContact CZ-CD2 3.96Å; F1546-F1581 HydrophobicContact CZ-CD2 3.96Å; F1546-F1581 AromaticContact CZ-CG 3.79Å; F1546-F1581 HydrophobicContact CZ-CG 3.79Å; I1552-F1581 HydrophobicContact CD1-CD1 4.07Å; I1552-F1581 HydrophobicContact CD1-CE1 4.33Å; I1552-F1581 HydrophobicContact CG2-CD1 4.17Å; I1555-F1581 HydrophobicContact CD1-CE1 4.46Å; I1555-F1581 HydrophobicContact CG1-CD1 4.04Å; I1555-F1581 HydrophobicContact CG1-CE1 4.36Å; L1572-F1581 HydrophobicContact CD2-CE1 3.68Å; L1572-F1581 HydrophobicContact CD2-CZ 3.99Å; T1579-F1581 HydrophobicContact CG2-CD2 3.97Å; T1579-F1581 HydrophobicContact CG2-CE2 3.48Å; T1579-F1581 VanDerWaalsContact CG2-CE2 3.48Å; T1579-F1581 HydrophobicContact CG2-CZ 3.8Å; T1579-F1581 WeakPolarHBondContact O-CD2 3.35Å; F1581-V1583 HydrophobicContact CB-CG2 3.81Å
1582	T	88.1	Confident	79.9	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	111.9	166.6	-56.3	0	0	0	0	107.7	L1486 V1489 L1490 V1499 N1501 L1553 A1554	L1486-T1582 VanDerWaalsContact CD1-OG1 3.3Å; L1486-T1582 WeakPolarHBondContact CD1-OG1 2.9Å; V1489-T1582 HydrophobicContact CG1-CG2 4.42Å; L1490-T1582 HydrophobicContact CD2-CG2 4.24Å; V1499-T1582 HydrophobicContact CG1-CG2 3.53Å; N1501-T1582 WeakPolarHBondContact OD1-CA 3.47Å; N1501-T1582 WeakPolarHBondContact OD1-CB 3.45Å; N1501-T1582 WeakPolarHBondContact OD1-CG2 3.39Å; N1501-T1582 PolarHBondContact OD1-OG1 3.26Å; L1553-T1582 HydrophobicContact CB-CG2 4.4Å; L1553-T1582 PolarHBondContact N-O 3.03Å; A1554-T1582 PolarHBondContact N-O 3.25Å; A1554-T1582 PolarHBondContact O-N 2.8Å
1583	V	88.6	Confident	79.6	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.012	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.5	-169.1	-174.3	0	0	0	0	110.1	V1499 S1500 V1502 F1546 D1550 F1581	V1499-V1583 WeakPolarHBondContact CA-O 3.34Å; S1500-V1583 PolarHBondContact N-O 3.32Å; S1500-V1583 PolarHBondContact O-N 3.43Å; V1502-V1583 HydrophobicContact CG2-CG2 4.34Å; F1546-V1583 HydrophobicContact CD1-CG2 4.37Å; F1546-V1583 HydrophobicContact CE1-CG2 3.63Å; F1546-V1583 HydrophobicContact CZ-CG2 4.19Å; D1550-V1583 HydrophobicContact CB-CG1 3.7Å; F1581-V1583 HydrophobicContact CB-CG2 3.81Å
1584	L	85.9	Confident	79.3	Confident	35 Å²	35	57.6 Å²	57.6	18%	0.183	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	120	166.3	-178.9	73.4	0	0	0	108.3	N1497 V1499 R1551 L1553	N1497-L1584 HydrophobicContact CB-CD1 3.57Å; V1499-L1584 HydrophobicContact CG2-CB 4.45Å; V1499-L1584 HydrophobicContact CG2-CD1 3.56Å; R1551-L1584 HydrophobicContact CB-CB 4.26Å; R1551-L1584 HydrophobicContact CB-CD2 4.47Å; R1551-L1584 PolarHBondContact N-O 2.93Å; R1551-L1584 PolarHBondContact O-N 2.94Å; L1553-L1584 HydrophobicContact CD1-CB 3.94Å; L1553-L1584 HydrophobicContact CD2-CB 4.13Å; L1553-L1584 HydrophobicContact CD2-CD2 4.46Å; L1553-L1584 HydrophobicContact CG-CB 3.91Å
1585	R	83.4	Confident	79.2	Confident	57 Å²	57	51.3 Å²	51.3	22%	0.215	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-65	139.8	-176.3	-179	56.2	105.8	-157.3	-1.1	111.9	S1498 T1545 D1550 N1587	S1498-R1585 WeakPolarHBondContact O-CB 3.38Å; S1498-R1585 PolarHBondContact O-N 3.44Å; S1498-R1585 WeakPolarHBondContact OG-CB 3.18Å; T1545-R1585 VanDerWaalsContact O-CZ 3.26Å; T1545-R1585 PolarHBondContact O-NH1 2.94Å; T1545-R1585 PolarHBondContact O-NH2 3.03Å; D1550-R1585 WeakPolarHBondContact OD1-CD 3.36Å; D1550-R1585 IonicContact OD1-NH1 3.99Å; D1550-R1585 PolarHBondContact OD1-NH1 3.1Å; D1550-R1585 IonicContact OD2-CZ 2.66Å; D1550-R1585 IonicContact OD2-NH1 3.81Å; D1550-R1585 PolarHBondContact OD2-NH1 2.95Å; R1585-N1587 PolarHBondContact O-N 2.88Å
1586	C	77.2	Confident	79.1	Confident	27 Å²	27	57 Å²	57	18%	0.182	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-57.2	120.9	175.7	-168.5	0	0	0	0	112.6	L1548 G1549 D1550 L1588	L1548-C1586 PolarHBondContact O-SG 3.34Å; G1549-C1586 VanDerWaalsContact C-CB 3.43Å; G1549-C1586 VanDerWaalsContact CA-SG 3.53Å; G1549-C1586 WeakPolarHBondContact O-CB 3.35Å; G1549-C1586 PolarHBondContact O-SG 3.08Å; G1549-C1586 VanDerWaalsContact O-SG 3.38Å; D1550-C1586 WeakPolarHBondContact OD1-CB 3.41Å; D1550-C1586 PolarHBondContact OD1-N 3.15Å; C1586-L1588 PolarHBondContact SG-N 3.36Å
1587	N	67.7	Low	79.1	Confident	115 Å²	115	61.4 Å²	61.4	62%	0.615	31%	0.313	S	S	*	.			trans	-117	22.4	167.5	-77.6	-13.8	0	0	0	111.3	N1497 R1585	N1497-N1587 PolarHBondContact OD1-ND2 3.27Å; R1585-N1587 PolarHBondContact O-N 2.88Å
1588	L	69.8	Low	78.8	Confident	40 Å²	40	61.6 Å²	61.6	21%	0.209	31%	0.309	C	S	.	.			trans	-79.2	137.7	178.4	-61.5	172.1	0	0	0	110.1	L1524 C1586 P1591 L1594	L1524-L1588 HydrophobicContact CD1-CD1 4.33Å; L1524-L1588 HydrophobicContact CD1-CD2 3.65Å; L1524-L1588 HydrophobicContact CD2-CD1 4.22Å; C1586-L1588 PolarHBondContact SG-N 3.36Å; L1588-P1591 HydrophobicContact CB-CB 4.16Å; L1588-P1591 HydrophobicContact CD1-CB 4.28Å; L1588-L1594 HydrophobicContact CB-CD1 4.44Å; L1588-L1594 HydrophobicContact CD2-CD1 4.29Å
1589	P	71.4	Confident	77.4	Confident	130 Å²	130	65.3 Å²	65.3	84%	0.844	33%	0.327	S	S	*	.	S	Bend	trans	-72.1	-36.2	-175.7	28.1	-34.5	0	0	0	113.5
1590	D	79.8	Confident	75	Confident	77 Å²	77	73.7 Å²	73.7	41%	0.412	37%	0.37	S	S	.	.			trans	-135.5	93.2	167	-177.6	-11.3	0	0	0	109	Q1592 A1593 L1594	D1590-Q1592 VanDerWaalsContact C-N 3.28Å; D1590-Q1592 PolarHBondContact O-N 3.31Å; D1590-Q1592 WeakPolarHBondContact OD1-CA 3.12Å; D1590-Q1592 WeakPolarHBondContact OD1-CB 3.41Å; D1590-Q1592 PolarHBondContact OD1-N 2.66Å; D1590-A1593 HydrophobicContact CB-CB 4.3Å; D1590-A1593 VanDerWaalsContact CG-CB 3.5Å; D1590-A1593 PolarHBondContact OD1-N 3.03Å; D1590-A1593 WeakPolarHBondContact OD2-CB 3.45Å; D1590-L1594 WeakPolarHBondContact O-CB 3.33Å; D1590-L1594 VanDerWaalsContact O-CG 3.26Å; D1590-L1594 WeakPolarHBondContact O-CG 2.99Å; D1590-L1594 PolarHBondContact O-N 3.49Å
1591	P	77	Confident	74.4	Confident	27 Å²	27	75.6 Å²	75.6	18%	0.175	38%	0.377	C	S	.	.	H	α-helix	trans	-74.4	-17	178.4	31.1	-34.4	0	0	0	112.7	L1548 L1588 L1595	L1548-P1591 VanDerWaalsContact CD2-C 3.49Å; L1548-P1591 HydrophobicContact CD2-CB 3.71Å; L1548-P1591 HydrophobicContact CD2-CG 4.09Å; L1548-P1591 VanDerWaalsContact CD2-O 3.28Å; L1548-P1591 WeakPolarHBondContact CD2-O 3.15Å; L1588-P1591 HydrophobicContact CB-CB 4.16Å; L1588-P1591 HydrophobicContact CD1-CB 4.28Å; P1591-L1595 VanDerWaalsContact O-CB 3.3Å; P1591-L1595 WeakPolarHBondContact O-CB 3.5Å; P1591-L1595 WeakPolarHBondContact O-CG 2.97Å; P1591-L1595 PolarHBondContact O-N 3.12Å
1592	Q	79.7	Confident	73.5	Confident	137 Å²	137	79.5 Å²	79.5	64%	0.64	40%	0.397	S	S	*	.	H	α-helix	trans	-76.8	-43	177.5	-73.9	-169.4	-0.2	0	0	111.6	L1548 D1590	L1548-Q1592 HydrophobicContact CD1-CG 3.74Å; L1548-Q1592 HydrophobicContact CD2-CG 4.1Å; D1590-Q1592 VanDerWaalsContact C-N 3.28Å; D1590-Q1592 PolarHBondContact O-N 3.31Å; D1590-Q1592 WeakPolarHBondContact OD1-CA 3.12Å; D1590-Q1592 WeakPolarHBondContact OD1-CB 3.41Å; D1590-Q1592 PolarHBondContact OD1-N 2.66Å
1593	A	75.4	Confident	72.7	Confident	41 Å²	41	83.9 Å²	83.9	34%	0.339	42%	0.419	S	S	.	.	H	α-helix	trans	-68.6	-47.4	173.8	0	0	0	0	0	111.6	D1590 L1595 K1596	D1590-A1593 HydrophobicContact CB-CB 4.3Å; D1590-A1593 VanDerWaalsContact CG-CB 3.5Å; D1590-A1593 PolarHBondContact OD1-N 3.03Å; D1590-A1593 WeakPolarHBondContact OD2-CB 3.45Å; A1593-L1595 VanDerWaalsContact C-N 3.31Å; A1593-L1595 PolarHBondContact O-N 3.32Å; A1593-K1596 WeakPolarHBondContact O-CB 3.47Å; A1593-K1596 PolarHBondContact O-N 2.84Å; A1593-K1596 VanDerWaalsContact O-N 3.16Å
1594	L	73.2	Confident	71.8	Confident	47 Å²	47	88.7 Å²	88.7	25%	0.246	44%	0.442	C	S	.	.	H	α-helix	trans	-68.7	-25.8	-174.8	-67.4	173.7	0	0	0	113.8	T1522 S1523 L1524 L1588 D1590	T1522-L1594 VanDerWaalsContact CB-O 3.28Å; T1522-L1594 WeakPolarHBondContact CB-O 3.34Å; T1522-L1594 PolarHBondContact OG1-O 2.84Å; S1523-L1594 CarbonylContact C-O 3.18Å; S1523-L1594 PolarHBondContact N-O 3.42Å; L1524-L1594 HydrophobicContact CB-CB 4.33Å; L1524-L1594 HydrophobicContact CD1-CD1 4.3Å; L1524-L1594 PolarHBondContact N-O 3.12Å; L1588-L1594 HydrophobicContact CB-CD1 4.44Å; L1588-L1594 HydrophobicContact CD2-CD1 4.29Å; D1590-L1594 WeakPolarHBondContact O-CB 3.33Å; D1590-L1594 VanDerWaalsContact O-CG 3.26Å; D1590-L1594 WeakPolarHBondContact O-CG 2.99Å; D1590-L1594 PolarHBondContact O-N 3.49Å
1595	L	76.5	Confident	70.9	Confident	2 Å²	2	92.1 Å²	92.1	1%	0.01	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	12	174.5	-60.3	-169.8	0	0	0	114.5	V1517 L1524 F1530 V1531 K1532 L1548 P1591 A1593	V1517-L1595 HydrophobicContact CG2-CB 4.27Å; V1517-L1595 HydrophobicContact CG2-CD1 4.14Å; V1517-L1595 HydrophobicContact CG2-CD2 3.93Å; V1517-L1595 HydrophobicContact CG2-CG 4.35Å; L1524-L1595 HydrophobicContact CD2-CD2 4.09Å; F1530-L1595 HydrophobicContact CB-CD1 3.98Å; F1530-L1595 HydrophobicContact CB-CD2 3.91Å; F1530-L1595 HydrophobicContact CG-CD2 4.29Å; V1531-L1595 WeakPolarHBondContact O-CD1 3.4Å; K1532-L1595 HydrophobicContact CG-CB 4.23Å; L1548-L1595 HydrophobicContact CD2-CD1 4.2Å; P1591-L1595 VanDerWaalsContact O-CB 3.3Å; P1591-L1595 WeakPolarHBondContact O-CB 3.5Å; P1591-L1595 WeakPolarHBondContact O-CG 2.97Å; P1591-L1595 PolarHBondContact O-N 3.12Å; A1593-L1595 VanDerWaalsContact C-N 3.31Å; A1593-L1595 PolarHBondContact O-N 3.32Å
1596	K	75.8	Confident	70.1	Confident	129 Å²	129	94.4 Å²	94.4	56%	0.561	48%	0.475	S	S	*	.	S	Bend	trans	-64.8	140.2	159.5	-71.8	-175.8	178.6	-177.7	0	108.9	T1522 S1523 A1593 K1598	T1522-K1596 WeakPolarHBondContact CA-O 3.35Å; T1522-K1596 WeakPolarHBondContact CB-O 3.29Å; S1523-K1596 PolarHBondContact N-O 3.08Å; S1523-K1596 VanDerWaalsContact N-O 3.17Å; A1593-K1596 WeakPolarHBondContact O-CB 3.47Å; A1593-K1596 PolarHBondContact O-N 2.84Å; A1593-K1596 VanDerWaalsContact O-N 3.16Å; K1596-K1598 PolarHBondContact O-N 2.86Å
1597	R	69.5	Low	69.6	Low	189 Å²	189	99.2 Å²	99.2	71%	0.713	50%	0.496	S	S	*	.	B	Isolated β-bridge	trans	-59.9	133.3	172.3	-169.5	173.9	-173.7	159.4	-2.1	107.2	R1521 E1599	R1521-R1597 WeakPolarHBondContact O-CA 3.44Å; R1597-E1599 PolarHBondContact O-N 3.26Å
1598	K	66.6	Low	69.7	Low	96 Å²	96	98 Å²	98	42%	0.417	49%	0.487	S	S	.	.			trans	-61.9	112.1	-179.4	-164.2	169.4	-178.1	177.7	0	107.6	R1521 D1525 K1596 I1600	R1521-K1598 PolarHBondContact O-N 3.25Å; D1525-K1598 IonicContact OD1-NZ 2.64Å; D1525-K1598 IonicContact OD2-NZ 3.19Å; D1525-K1598 PolarHBondContact OD2-NZ 3.24Å; K1596-K1598 PolarHBondContact O-N 2.86Å; K1598-I1600 PolarHBondContact O-N 2.98Å
1599	E	54	Low	69.7	Low	183 Å²	183	102.8 Å²	102.8	86%	0.855	51%	0.51	S	S	*	.			trans	-63	130.3	168.3	-70.6	168.3	-165.7	0	0	106.6	R1597	R1597-E1599 PolarHBondContact O-N 3.26Å
1600	I	37.7	Very low	69.5	Low	176 Å²	176	100.4 Å²	100.4	90%	0.903	48%	0.479	S	S	*	.			trans	-96.9	0	-168.2	-63.5	-179.8	0	0	0	109.4	K1598	K1598-I1600 PolarHBondContact O-N 2.98Å

Retrieved 1,600 of 1,600 residues in 764.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).