A0A087Y4H2_POEFO Loading...

Aminopeptidase

AlphaFold DB , UniProt , Accession A0A087Y4H2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 934 aa.

						>A0A087Y4H2_POEFO|A0A087Y4H2
MLLLFGRTVPLLFTRTVTSYCPSALSKPNLINSVFIKIAKINGATTHSSSFSSASGQNTGTMPERRPFVRLPTDVCPVNYGLCLKPDLIDFTFDGKLEAQVEVIQATNQIVMNCADIDIITASFVPKGADEINATGFNYQNEDEKVTLSFPSSLQKGSGTLKIEFVGELNDKMKGFYRSKYTTAAGETRYAAVTQFEATDARRAFPCWDEPAIKATFDITLIVPKDRVALSNMDVVHQKPYPGDVNLVEVKFGTTPIMSTYLVAFVIGEYDFVESQSSDGIKVRVYTPVGKAEQGKFALEVACKTLPFYKDYFSVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRALDLDALDSSHPIEVNVGHPSEVDEIFDAISYSKGASVIRMLHNYIGDEDFRKGMNSYLLKFQHKNASTEDLWDCLEQASGKPIAAVMSSWTKQMGFPIIVVDQEQQGDDRILKLSQKKFCASGPHNGEDCPSWMVPISICTSEDPKCSKLRILLEKSETTVTLNGVGPDQWIKINPGTVGFYRIQYSSSMLESLLPGIRDLSLQPVDRLGLQNDLFSLSRAGMISTVEVLKLMEAFVNEPNYTVWSDLSCNLGVLSSLLSHTEFHDEILEFIRDLFAPIGLKLGWDSKPGEGHLDALLRGLVLGKLGKAGHKPTLEEARRRFKEHVEAKQVLPADLRSPVYLTVLKHGDGATLDTMLKLHKQADMQEEKNRIERVLGAISAPDLIQKVLNFALSEEVRPQDTVSVIGGVAGSSKQGRKAAWKFVRDNWEELYNRYQGGFLISRLIKLTVDGFAIDKMATEVKSFFESHPAPAAERTVQQCCENILLNAAWLKRDADDIHQYLLQRKAPPV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.6	Very low	25.3	Very low	229 Å²	229	155.4 Å²	155.4	100%	1.128	82%	0.817	S	S	*	*				0	97.7	0	-137.8	156.9	172.2	0	0	105.1
2	L	23.3	Very low	25.3	Very low	150 Å²	150	152.9 Å²	152.9	79%	0.785	80%	0.804	S	S	*	*				62.3	119.2	82.4	-68.6	159.8	0	0	0	110.7
3	L	23.8	Very low	25.2	Very low	141 Å²	141	153.9 Å²	153.9	74%	0.738	80%	0.798	S	S	*	*			cis	-144.2	150.8	-2.7	-77	144.8	0	0	0	107
4	L	25.1	Very low	25.1	Very low	147 Å²	147	149.7 Å²	149.7	77%	0.77	78%	0.783	S	S	*	*				65.3	95.9	57.5	-109	178.6	0	0	0	115.9
5	F	26.6	Very low	25.1	Very low	207 Å²	207	153.7 Å²	153.7	91%	0.908	78%	0.783	S	S	*	*			trans	172.5	137	142.7	-90.9	-62	0	0	0	108.8
6	G	23	Very low	25.1	Very low	61 Å²	61	150.9 Å²	150.9	63%	0.629	78%	0.776	S	S	*	*			cis	119.4	84.6	-15.2	0	0	0	0	0	115.7
7	R	22.8	Very low	25.1	Very low	254 Å²	254	149.4 Å²	149.4	96%	0.958	78%	0.775	S	S	*	*			trans	-163.3	131.3	149.4	-115.4	170.5	-167.5	-165.5	1.7	114.2
8	T	24.3	Very low	25.1	Very low	130 Å²	130	147.6 Å²	147.6	80%	0.798	77%	0.772	S	S	*	*			trans	-100.1	170.2	166.3	43.8	0	0	0	0	110.5
9	V	24.9	Very low	25.1	Very low	135 Å²	135	145.4 Å²	145.4	82%	0.818	77%	0.77	S	S	*	*				-169.3	140.1	125.6	139.7	0	0	0	0	110.2
10	P	35.4	Very low	25	Very low	95 Å²	95	149.5 Å²	149.5	62%	0.617	78%	0.776	S	S	*	*			trans	-117.9	175.9	-178.9	42.9	-34	0	0	0	114.8
11	L	22.1	Very low	24.8	Very low	160 Å²	160	147.5 Å²	147.5	84%	0.838	77%	0.774	S	S	*	*			trans	-138	128.9	154.2	-81.3	106.5	0	0	0	106.6
12	L	24.2	Very low	25.3	Very low	126 Å²	126	141.7 Å²	141.7	66%	0.66	75%	0.753	S	S	*	*			cis	69.5	111.3	19.8	-121.7	179.3	0	0	0	112.2	T14	L12-T14 HydrophobicContact CD2-CG2 4.5Å
13	F	24.5	Very low	25.3	Very low	166 Å²	166	139.4 Å²	139.4	73%	0.728	75%	0.75	S	S	*	*				-178.2	155.5	97.4	-103.5	-116.7	0	0	0	106.2
14	T	24.4	Very low	25.3	Very low	95 Å²	95	136.9 Å²	136.9	58%	0.583	75%	0.749	S	S	*	*			cis	-177.3	176.3	-11.3	28.6	0	0	0	0	106.1	L12	L12-T14 HydrophobicContact CD2-CG2 4.5Å
15	R	25	Very low	25.2	Very low	210 Å²	210	138 Å²	138	79%	0.792	76%	0.755	S	S	*	*			cis	-170.6	178.6	0.9	-113.3	165.2	172	-177.2	-3.3	105.8
16	T	25.3	Very low	25	Very low	108 Å²	108	133.5 Å²	133.5	66%	0.663	75%	0.749	S	S	*	*			cis	-178.2	-179.5	-41.8	39.9	0	0	0	0	107
17	V	25.2	Very low	25	Very low	125 Å²	125	140 Å²	140	76%	0.758	76%	0.76	S	S	*	*			trans	78	132	151.2	157.4	0	0	0	0	116.3
18	T	24.8	Very low	26.2	Very low	117 Å²	117	133 Å²	133	72%	0.718	75%	0.747	S	S	*	*			cis	-159.2	160.1	-5.1	20	0	0	0	0	111.8
19	S	24.8	Very low	26.2	Very low	106 Å²	106	134.8 Å²	134.8	74%	0.741	75%	0.752	S	S	*	*			trans	-89.1	157.3	158.4	52.8	0	0	0	0	112.2
20	Y	22.4	Very low	26.2	Very low	227 Å²	227	135.3 Å²	135.3	89%	0.89	75%	0.749	S	S	*	*			trans	-164	149.9	153.5	-114.3	-72	0	0	0	112.9
21	C	22.4	Very low	25.7	Very low	108 Å²	108	137 Å²	137	73%	0.73	75%	0.752	S	S	*	*			trans	-152.4	148.3	168	-163.7	0	0	0	0	107
22	P	36.6	Very low	25.8	Very low	107 Å²	107	136.4 Å²	136.4	70%	0.695	75%	0.75	S	S	*	*				-157.4	168.8	98.6	39.8	-20	0	0	0	118.4
23	S	23.3	Very low	25.9	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	75%	0.753	S	S	*	*			trans	69.3	109.1	139.3	62.8	0	0	0	0	124.4
24	A	23.6	Very low	25.9	Very low	87 Å²	87	132.3 Å²	132.3	72%	0.719	75%	0.748	S	S	*	*				88.7	131.8	112.4	0	0	0	0	0	123.8
25	L	23.8	Very low	25.9	Very low	172 Å²	172	137 Å²	137	90%	0.901	76%	0.76	S	S	*	*			trans	68.1	146.7	159.4	-62.4	162.5	0	0	0	116.6
26	S	22.1	Very low	25.9	Very low	111 Å²	111	132.5 Å²	132.5	78%	0.776	75%	0.751	S	S	*	*			cis	-148.2	176.6	5.8	60	0	0	0	0	113.3
27	K	23.1	Very low	25.9	Very low	199 Å²	199	135.7 Å²	135.7	87%	0.865	76%	0.755	S	S	*	*			trans	-105.5	174.6	171	-90	-174.8	179.7	-178.9	0	110.1
28	P	48.9	Very low	26	Very low	106 Å²	106	136.5 Å²	136.5	69%	0.688	75%	0.754	S	S	*	*			cis	-131.3	-168.9	-28	38.2	-20.9	0	0	0	112.1
29	N	23.3	Very low	26.1	Very low	167 Å²	167	135.1 Å²	135.1	89%	0.893	76%	0.755	S	S	*	*			trans	-159.3	171.7	143.6	-113.4	-33.1	0	0	0	113.5
30	L	24.8	Very low	26	Very low	146 Å²	146	140.2 Å²	140.2	76%	0.764	76%	0.763	S	S	*	*			trans	-141.7	167.6	-160.7	-130.6	74.9	0	0	0	113.9
31	I	25.3	Very low	26.2	Very low	131 Å²	131	136.8 Å²	136.8	67%	0.672	76%	0.759	S	S	*	*			trans	79.9	121.9	152.3	-72.5	163.7	0	0	0	120.3
32	N	24.9	Very low	26.3	Very low	148 Å²	148	139.5 Å²	139.5	79%	0.791	77%	0.766	S	S	*	*			trans	40.8	163.4	137.8	-45.8	-13.5	0	0	0	120.8
33	S	25.5	Very low	25.7	Very low	103 Å²	103	137.4 Å²	137.4	72%	0.72	76%	0.764	S	S	*	*			cis	-161.3	141.9	23.9	71.7	0	0	0	0	111.7
34	V	24.7	Very low	25.7	Very low	102 Å²	102	137.2 Å²	137.2	62%	0.618	77%	0.769	S	S	*	*				71.2	120.6	97	-179.4	0	0	0	0	118.1	I36	V34-I36 HydrophobicContact CG1-CD1 3.71Å; V34-I36 HydrophobicContact CG1-CG1 3.84Å
35	F	23.4	Very low	25.7	Very low	195 Å²	195	139 Å²	139	86%	0.855	77%	0.771	S	S	*	*			trans	-149.8	137	138.1	-93.8	-86.1	0	0	0	107.5
36	I	26.1	Very low	25.7	Very low	114 Å²	114	136.2 Å²	136.2	59%	0.585	76%	0.761	S	S	*	*			cis	77.7	126.5	33.2	-64.1	176.5	0	0	0	111.7	V34	V34-I36 HydrophobicContact CG1-CD1 3.71Å; V34-I36 HydrophobicContact CG1-CG1 3.84Å
37	K	26	Very low	25.8	Very low	176 Å²	176	139.8 Å²	139.8	77%	0.765	77%	0.765	S	S	*	*			cis	-157.5	-171.7	-3.8	-110.9	174.4	-168.2	172.2	0	106.6
38	I	26.9	Very low	25.9	Very low	141 Å²	141	135.1 Å²	135.1	72%	0.723	76%	0.758	S	S	*	*			cis	-158.6	136.3	9.4	-130.5	153.5	0	0	0	105.2
39	A	25.5	Very low	24.6	Very low	89 Å²	89	135.8 Å²	135.8	74%	0.736	77%	0.765	S	S	*	*				73	119.9	66.3	0	0	0	0	0	118.5
40	K	23.5	Very low	24.6	Very low	213 Å²	213	133 Å²	133	93%	0.926	76%	0.758	S	S	*	*			trans	-159.2	167	153.2	-119.4	176.8	-176.6	-179.8	0	111.7
41	I	26.5	Very low	24.5	Very low	154 Å²	154	136.1 Å²	136.1	79%	0.79	77%	0.766	S	S	*	*			trans	-134.5	142.6	-151.5	-69.4	161.6	0	0	0	113.9
42	N	25	Very low	24.4	Very low	165 Å²	165	135.2 Å²	135.2	88%	0.882	77%	0.771	S	S	*	*			trans	-178	160.1	141.3	-95.6	-14.2	0	0	0	110.2
43	G	22.8	Very low	24.4	Very low	64 Å²	64	133.6 Å²	133.6	66%	0.66	77%	0.772	S	S	*	*			cis	158.8	107.7	-13.5	0	0	0	0	0	115.1
44	A	24.4	Very low	24.3	Very low	98 Å²	98	133.6 Å²	133.6	81%	0.81	78%	0.778	S	S	*	*			trans	67.3	152.5	168.7	0	0	0	0	0	117
45	T	23.6	Very low	24.4	Very low	126 Å²	126	134 Å²	134	77%	0.773	79%	0.786	S	S	*	*			cis	-157.3	145.7	-7	-1.3	0	0	0	0	111.9
46	T	23.7	Very low	24.5	Very low	112 Å²	112	128.5 Å²	128.5	69%	0.687	78%	0.784	S	S	*	*			trans	25.3	122.9	150.9	53.7	0	0	0	0	122
47	H	24.2	Very low	24.6	Very low	186 Å²	186	131.3 Å²	131.3	86%	0.861	79%	0.794	S	S	*	*				-169.7	-178.8	98.5	-108.6	-74.8	0	0	0	112.9
48	S	24.5	Very low	24.6	Very low	102 Å²	102	130.8 Å²	130.8	71%	0.713	80%	0.8	S	S	*	*			trans	-106.4	143.1	-160.9	52.5	0	0	0	0	115.5
49	S	22.8	Very low	24.7	Very low	119 Å²	119	129.1 Å²	129.1	83%	0.832	80%	0.796	S	S	*	*			trans	-161.8	156.6	149.5	41.7	0	0	0	0	113.7
50	S	23.2	Very low	24.8	Very low	108 Å²	108	128.3 Å²	128.3	76%	0.755	80%	0.797	S	S	*	*			trans	-20.7	134.7	174.6	50.2	0	0	0	0	120
51	F	22.4	Very low	25.3	Very low	213 Å²	213	124.4 Å²	124.4	93%	0.934	79%	0.791	S	S	*	*			trans	-67.4	134.1	153.7	-93.3	-101.2	0	0	0	111
52	S	22.9	Very low	25.5	Very low	112 Å²	112	124.3 Å²	124.3	78%	0.783	79%	0.789	S	S	*	*			trans	-132.9	127.5	151	61.1	0	0	0	0	108.6	A54	S52-A54 PolarHBondContact O-N 2.69Å
53	S	24.9	Very low	26.1	Very low	114 Å²	114	121.9 Å²	121.9	80%	0.797	78%	0.782	S	S	*	*			trans	-95	84.3	-171.3	54.5	0	0	0	0	111.5	S55	S53-S55 PolarHBondContact O-N 2.83Å; S53-S55 VanDerWaalsContact O-N 3.15Å
54	A	23.4	Very low	27.1	Very low	103 Å²	103	128 Å²	128	85%	0.851	79%	0.794	S	S	*	*			trans	-71.4	101.8	167.4	0	0	0	0	0	109.7	S52 G56	S52-A54 PolarHBondContact O-N 2.69Å; A54-G56 PolarHBondContact O-N 2.85Å
55	S	27.2	Very low	28.6	Very low	111 Å²	111	130.7 Å²	130.7	78%	0.776	78%	0.783	S	S	*	*			trans	-86.1	95.8	173.3	45.8	0	0	0	0	109.7	S53 Q57	S53-S55 PolarHBondContact O-N 2.83Å; S53-S55 VanDerWaalsContact O-N 3.15Å; S55-Q57 PolarHBondContact O-N 3.45Å; S55-Q57 VanDerWaalsContact O-N 3.12Å
56	G	25.1	Very low	30.6	Very low	79 Å²	79	133.9 Å²	133.9	81%	0.814	78%	0.78	S	S	*	*			trans	-65.5	109.3	172.2	0	0	0	0	0	110.4	A54 N58	A54-G56 PolarHBondContact O-N 2.85Å; G56-N58 PolarHBondContact O-N 2.92Å
57	Q	28.7	Very low	33.1	Very low	173 Å²	173	133.7 Å²	133.7	81%	0.808	78%	0.781	S	S	*	*			trans	-69.2	112.8	169.2	-74.3	-177.3	-25.4	0	0	108.8	S55 T59	S55-Q57 PolarHBondContact O-N 3.45Å; S55-Q57 VanDerWaalsContact O-N 3.12Å; Q57-T59 VanDerWaalsContact C-N 3.29Å; Q57-T59 PolarHBondContact O-N 3.27Å
58	N	25.7	Very low	35.8	Very low	164 Å²	164	127 Å²	127	88%	0.877	75%	0.75	S	S	*	*			trans	-81	80.7	174.7	-163.5	39.4	0	0	0	108.9	G56 G60	G56-N58 PolarHBondContact O-N 2.92Å; N58-G60 PolarHBondContact O-N 3.44Å
59	T	29.4	Very low	38.7	Very low	107 Å²	107	126.8 Å²	126.8	66%	0.656	74%	0.744	S	S	*	*			trans	-66	98.6	175.6	49.8	0	0	0	0	109.3	Q57 T61	Q57-T59 VanDerWaalsContact C-N 3.29Å; Q57-T59 PolarHBondContact O-N 3.27Å; T59-T61 PolarHBondContact O-N 2.86Å
60	G	28	Very low	42	Very low	72 Å²	72	124.8 Å²	124.8	74%	0.742	72%	0.718	S	S	*	*			trans	-65.8	98	173.8	0	0	0	0	0	110.1	N58 M62	N58-G60 PolarHBondContact O-N 3.44Å; G60-M62 PolarHBondContact O-N 3.21Å
61	T	33.8	Very low	45.3	Very low	130 Å²	130	120.2 Å²	120.2	80%	0.798	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-64.7	128.1	169.2	40.5	0	0	0	0	109.1	T59	T59-T61 PolarHBondContact O-N 2.86Å
62	M	30.6	Very low	48.8	Very low	153 Å²	153	112.6 Å²	112.6	75%	0.754	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-55.9	148.4	165.1	-71.6	-80.4	-83.3	0	0	109.2	G60 E64	G60-M62 PolarHBondContact O-N 3.21Å; M62-E64 PolarHBondContact O-N 3.4Å
63	P	37.3	Very low	52.1	Low	114 Å²	114	112 Å²	112	74%	0.74	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-58.5	135.2	170	26.7	-33.8	0	0	0	109.3	R65	P63-R65 PolarHBondContact O-N 3.45Å; P63-R65 VanDerWaalsContact O-N 3.17Å
64	E	42.3	Very low	55.4	Low	193 Å²	193	108.8 Å²	108.8	90%	0.902	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-58.7	120	179.9	-65.4	179.9	146.3	0	0	109.7	M62 R66	M62-E64 PolarHBondContact O-N 3.4Å; E64-R66 PolarHBondContact O-N 3.49Å
65	R	56.1	Low	59	Low	153 Å²	153	104.1 Å²	104.1	58%	0.577	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-59.8	137.3	170.5	-67.9	-177	-176.5	159.3	5.5	107.7	P63 E898	P63-R65 PolarHBondContact O-N 3.45Å; P63-R65 VanDerWaalsContact O-N 3.17Å; R65-E898 IonicContact CZ-OE1 3.54Å; R65-E898 IonicContact NH1-OE1 3.53Å; R65-E898 IonicContact NH2-OE1 2.76Å; R65-E898 PolarHBondContact NH2-OE1 3.11Å
66	R	67.2	Low	62.2	Low	193 Å²	193	100.9 Å²	100.9	73%	0.728	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-55.8	131.5	177.1	-175.9	-174.5	-174.1	-160.8	2.5	109.2	E64 F68 D143	E64-R66 PolarHBondContact O-N 3.49Å; R66-F68 PolarHBondContact O-N 2.62Å; R66-D143 IonicContact NH1-OD2 3.15Å; R66-D143 PolarHBondContact NH1-OD2 2.97Å; R66-D143 VanDerWaalsContact NH1-OD2 3.15Å
67	P	75.6	Confident	65.7	Low	108 Å²	108	97.6 Å²	97.6	70%	0.701	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-57	130.9	174.8	-25.8	34.8	0	0	0	111
68	F	81.8	Confident	69	Low	46 Å²	46	93.2 Å²	93.2	20%	0.202	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-61.2	149.7	172.7	179.3	-112.7	0	0	0	110.8	R66 R70 W384 G441 H442 P443	R66-F68 PolarHBondContact O-N 2.62Å; F68-R70 HydrophobicContact CE1-CG 4.25Å; F68-W384 AromaticContact CE1-CH2 3.87Å; F68-W384 HydrophobicContact CE1-CH2 3.87Å; F68-W384 AromaticContact CE1-CZ2 3.84Å; F68-W384 HydrophobicContact CE1-CZ2 3.84Å; F68-W384 HydrophobicContact CZ-CH2 4.27Å; F68-G441 WeakPolarHBondContact CB-O 3.3Å; F68-G441 WeakPolarHBondContact CD1-O 3.34Å; F68-G441 WeakPolarHBondContact CG-O 3.37Å; F68-H442 HydrophobicContact CB-CB 4.37Å; F68-H442 AromaticContact CD2-CD2 3.34Å; F68-H442 WeakPolarHBondContact CD2-CD2 3.23Å; F68-H442 AromaticContact CD2-NE2 3.86Å; F68-H442 AromaticContact CG-CD2 3.84Å; F68-P443 HydrophobicContact CE1-CG 4.25Å; F68-P443 HydrophobicContact CE2-CG 4.01Å; F68-P443 HydrophobicContact CZ-CG 3.71Å
69	V	85.5	Confident	72.5	Confident	97 Å²	97	86 Å²	86	59%	0.588	47%	0.471	S	S	*	.			trans	-132.4	124.7	173.6	-171.2	0	0	0	0	107.8	K145	V69-K145 PolarHBondContact O-NZ 3.31Å
70	R	90.4	Very high	75.8	Confident	78 Å²	78	81 Å²	81	29%	0.294	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-56.2	160.8	171	-60.1	-80.6	-65.5	-98.1	-0.5	110.4	F68 E210 E383	F68-R70 HydrophobicContact CE1-CG 4.25Å; R70-E210 VanDerWaalsContact CA-OE1 3.25Å; R70-E210 WeakPolarHBondContact CA-OE1 3.1Å; R70-E210 WeakPolarHBondContact CB-OE1 3.45Å; R70-E210 IonicContact CZ-OE2 2.7Å; R70-E210 VanDerWaalsContact CZ-OE2 3.28Å; R70-E210 VanDerWaalsContact NE-CD 3.25Å; R70-E210 IonicContact NE-OE1 3.75Å; R70-E210 PolarHBondContact NE-OE1 3.12Å; R70-E210 IonicContact NE-OE2 3.69Å; R70-E210 PolarHBondContact NE-OE2 3.15Å; R70-E210 IonicContact NH2-OE2 2.71Å; R70-E210 PolarHBondContact NH2-OE2 2.89Å; R70-E383 IonicContact CZ-OE1 2.72Å; R70-E383 VanDerWaalsContact CZ-OE1 3.26Å; R70-E383 IonicContact NH1-OE1 3.67Å; R70-E383 PolarHBondContact NH1-OE1 3.17Å; R70-E383 IonicContact NH1-OE2 3.87Å; R70-E383 IonicContact NH2-OE1 3.35Å; R70-E383 PolarHBondContact NH2-OE1 2.91Å
71	L	93.9	Very high	79.2	Confident	11 Å²	11	78.4 Å²	78.4	6%	0.058	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-61.9	146.6	180	-70.2	179.5	0	0	0	112.8	V111 N113 K145 W208 E210 I213	L71-V111 HydrophobicContact CD2-CG1 4.16Å; L71-N113 WeakPolarHBondContact CD1-OD1 3.35Å; L71-K145 HydrophobicContact CD2-CD 4.32Å; L71-K145 HydrophobicContact CD2-CG 4.3Å; L71-W208 HydrophobicContact CD1-CB 3.89Å; L71-W208 HydrophobicContact CD1-CG 4.01Å; L71-E210 PolarHBondContact N-OE1 2.85Å; L71-I213 HydrophobicContact CB-CD1 4.47Å; L71-I213 HydrophobicContact CD1-CD1 4.38Å
72	P	94.4	Very high	82.3	Confident	53 Å²	53	72.3 Å²	72.3	34%	0.344	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-63.5	136.5	173.5	-19.3	32	0	0	0	112.2	D74 V111	P72-D74 WeakPolarHBondContact CB-OD2 3.35Å; P72-D74 PolarHBondContact O-N 3.18Å; P72-V111 HydrophobicContact CG-CB 4.08Å; P72-V111 HydrophobicContact CG-CG2 4.2Å
73	T	92.9	Very high	85.5	Confident	101 Å²	101	66.8 Å²	66.8	62%	0.62	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	15.9	179.2	52.3	0	0	0	0	113.6	V75	T73-V75 VanDerWaalsContact C-N 3.3Å; T73-V75 PolarHBondContact O-N 2.84Å
74	D	94.9	Very high	88.4	Confident	46 Å²	46	61.4 Å²	61.4	25%	0.246	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-27.8	-178.6	-58.7	-50	0	0	0	112.9	P72 V103 I104 Q105 T107	P72-D74 WeakPolarHBondContact CB-OD2 3.35Å; P72-D74 PolarHBondContact O-N 3.18Å; D74-V103 CarbonylContact O-C 3.55Å; D74-I104 PolarHBondContact O-N 3.35Å; D74-Q105 HydrophobicContact CB-CB 4.24Å; D74-Q105 PolarHBondContact O-N 2.98Å; D74-Q105 VanDerWaalsContact O-N 3.14Å; D74-Q105 WeakPolarHBondContact OD1-CB 3.15Å; D74-Q105 PolarHBondContact OD1-NE2 3.14Å; D74-T107 HydrophobicContact CB-CG2 4.3Å
75	V	97.1	Very high	91.1	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.03	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	124.6	176.7	-177.3	0	0	0	0	108.2	T73 V101 E102 V103 T107 I110 W208	T73-V75 VanDerWaalsContact C-N 3.3Å; T73-V75 PolarHBondContact O-N 2.84Å; V75-V101 HydrophobicContact CG1-CB 3.77Å; V75-V101 HydrophobicContact CG1-CG1 4.41Å; V75-V101 HydrophobicContact CG1-CG2 3.73Å; V75-E102 WeakPolarHBondContact CA-O 3.47Å; V75-V103 HydrophobicContact CG1-CG2 4.49Å; V75-V103 HydrophobicContact CG2-CB 4.46Å; V75-V103 HydrophobicContact CG2-CG1 4.31Å; V75-V103 HydrophobicContact CG2-CG2 4.11Å; V75-T107 HydrophobicContact CG2-CG2 3.8Å; V75-I110 HydrophobicContact CG1-CD1 4.49Å; V75-I110 HydrophobicContact CG2-CG1 4.21Å; V75-W208 HydrophobicContact CB-CZ2 4.23Å; V75-W208 HydrophobicContact CG1-CH2 4.37Å; V75-W208 HydrophobicContact CG1-CZ2 3.94Å; V75-W208 PolarHBondContact O-NE1 2.92Å
76	C	96.4	Very high	93.1	Very high	42 Å²	42	48.1 Å²	48.1	28%	0.284	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.7	-178.9	-63.3	0	0	0	0	111.1	V101 E102	C76-V101 CarbonylContact O-C 3.48Å; C76-V101 VanDerWaalsContact O-CA 3.27Å; C76-V101 WeakPolarHBondContact O-CA 3.38Å; C76-V101 WeakPolarHBondContact O-CB 3.49Å; C76-E102 PolarHBondContact N-O 3.21Å; C76-E102 PolarHBondContact O-N 2.74Å
77	P	97.8	Very high	94.5	Very high	10 Å²	10	41.3 Å²	41.3	7%	0.065	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	152.9	172.8	33	-35.5	0	0	0	111.8	Y80 W208 I213 A215	P77-Y80 HydrophobicContact CB-CD2 4.47Å; P77-Y80 HydrophobicContact CB-CE2 3.71Å; P77-Y80 HydrophobicContact CG-CE2 4.08Å; P77-W208 HydrophobicContact CB-CD2 4.48Å; P77-W208 HydrophobicContact CB-CE3 3.99Å; P77-W208 HydrophobicContact CB-CZ3 4.27Å; P77-W208 HydrophobicContact CG-CB 4.17Å; P77-W208 HydrophobicContact CG-CD2 4.02Å; P77-W208 HydrophobicContact CG-CE3 3.96Å; P77-W208 HydrophobicContact CG-CG 4.14Å; P77-I213 HydrophobicContact CG-CG2 3.57Å; P77-A215 HydrophobicContact CB-CB 4.4Å
78	V	98.3	Very high	95.4	Very high	81 Å²	81	37.6 Å²	37.6	49%	0.491	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	-40.1	175.8	-177.4	0	0	0	0	110.4	Q100 E102 T216	V78-Q100 PolarHBondContact N-O 2.73Å; V78-E102 HydrophobicContact CG2-CB 4.49Å; V78-T216 PolarHBondContact O-N 3.23Å; V78-T216 VanDerWaalsContact O-N 3.11Å; V78-T216 PolarHBondContact O-OG1 3.09Å; V78-T216 VanDerWaalsContact O-OG1 3.12Å
79	N	98.8	Very high	96	Very high	14 Å²	14	42 Å²	42	8%	0.075	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	137.4	-179.9	168.7	-103.2	0	0	0	109.9	A99 Q100 T216 D218	N79-A99 CarbonylContact O-C 3.6Å; N79-A99 VanDerWaalsContact O-CA 3.31Å; N79-A99 WeakPolarHBondContact O-CA 3.41Å; N79-Q100 HydrophobicContact CB-CB 4.11Å; N79-Q100 HydrophobicContact CB-CG 4.29Å; N79-Q100 PolarHBondContact N-O 3.05Å; N79-Q100 PolarHBondContact O-N 3.1Å; N79-Q100 PolarHBondContact OD1-NE2 3.48Å; N79-T216 CarbonylContact C-O 3.51Å; N79-T216 VanDerWaalsContact CA-O 3.26Å; N79-T216 WeakPolarHBondContact CA-O 3.36Å; N79-T216 WeakPolarHBondContact CA-OG1 3.39Å; N79-T216 VanDerWaalsContact CB-OG1 3.3Å; N79-T216 WeakPolarHBondContact CB-OG1 3.46Å; N79-T216 PolarHBondContact ND2-OG1 3.22Å; N79-D218 PolarHBondContact ND2-OD2 2.97Å
80	Y	98.8	Very high	96.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	106	174.5	-69.6	-101	0	0	0	109.7	P77 L82 L97 A99 F205 C207 W208 A215 T216 F217 D218	P77-Y80 HydrophobicContact CB-CD2 4.47Å; P77-Y80 HydrophobicContact CB-CE2 3.71Å; P77-Y80 HydrophobicContact CG-CE2 4.08Å; Y80-L82 PolarHBondContact O-N 2.78Å; Y80-L97 HydrophobicContact CD1-CD1 3.7Å; Y80-L97 HydrophobicContact CD1-CD2 4.29Å; Y80-L97 HydrophobicContact CG-CD1 4.36Å; Y80-A99 HydrophobicContact CD1-CB 4.47Å; Y80-F205 HydrophobicContact CD1-CD2 4.34Å; Y80-F205 HydrophobicContact CD1-CE2 4.08Å; Y80-F205 HydrophobicContact CE1-CD2 4.44Å; Y80-F205 HydrophobicContact CE1-CE2 4.12Å; Y80-C207 HydrophobicContact CE1-CB 3.72Å; Y80-W208 HydrophobicContact CE1-CE3 4.43Å; Y80-W208 PolarHBondContact OH-N 3.49Å; Y80-W208 VanDerWaalsContact OH-N 3.1Å; Y80-A215 HydrophobicContact CD2-CB 3.63Å; Y80-A215 HydrophobicContact CE2-CB 3.53Å; Y80-T216 PolarHBondContact N-O 2.81Å; Y80-F217 HydrophobicContact CD1-CE1 4.33Å; Y80-F217 AromaticContact CD2-CD1 3.83Å; Y80-F217 HydrophobicContact CD2-CD1 3.83Å; Y80-F217 AromaticContact CD2-CE1 3.29Å; Y80-F217 HydrophobicContact CD2-CE1 3.29Å; Y80-F217 HydrophobicContact CD2-CE2 4.47Å; Y80-F217 AromaticContact CD2-CZ 3.67Å; Y80-F217 HydrophobicContact CD2-CZ 3.67Å; Y80-F217 AromaticContact CE2-CE1 3.77Å; Y80-F217 HydrophobicContact CE2-CE1 3.77Å; Y80-F217 AromaticContact CE2-CZ 3.83Å; Y80-F217 HydrophobicContact CE2-CZ 3.83Å; Y80-F217 AromaticContact CG-CD1 3.89Å; Y80-F217 HydrophobicContact CG-CD1 3.89Å; Y80-F217 AromaticContact CG-CE1 3.61Å; Y80-F217 HydrophobicContact CG-CE1 3.61Å; Y80-F217 HydrophobicContact CG-CZ 4.43Å; Y80-D218 PolarHBondContact O-N 3.29Å
81	G	98.7	Very high	96.8	Very high	19 Å²	19	41.6 Å²	41.6	20%	0.196	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	106.1	165.7	0	0	0	0	0	110.2	L97 E98	G81-L97 CarbonylContact O-C 3.53Å; G81-L97 WeakPolarHBondContact O-CA 3.27Å; G81-E98 WeakPolarHBondContact CA-O 3.33Å; G81-E98 PolarHBondContact N-O 3.44Å; G81-E98 PolarHBondContact O-N 3.29Å
82	L	98.6	Very high	97	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126	-177.2	-75.2	169	0	0	0	111	Y80 L97 F205 F217 D218 T220	Y80-L82 PolarHBondContact O-N 2.78Å; L82-L97 HydrophobicContact CD2-CB 4.25Å; L82-L97 HydrophobicContact CD2-CD1 3.78Å; L82-L97 HydrophobicContact CG-CD1 4.24Å; L82-F205 HydrophobicContact CD1-CD1 3.94Å; L82-F205 HydrophobicContact CD1-CD2 4.09Å; L82-F205 HydrophobicContact CD1-CE1 3.87Å; L82-F205 HydrophobicContact CD1-CE2 4.01Å; L82-F205 HydrophobicContact CD1-CG 4.08Å; L82-F205 HydrophobicContact CD1-CZ 3.92Å; L82-F205 HydrophobicContact CD2-CB 3.78Å; L82-F205 HydrophobicContact CD2-CD1 4.25Å; L82-F205 HydrophobicContact CD2-CD2 3.92Å; L82-F205 HydrophobicContact CD2-CG 3.73Å; L82-F217 HydrophobicContact CD1-CD1 4.22Å; L82-D218 PolarHBondContact N-O 3.44Å; L82-T220 PolarHBondContact O-N 3.49Å
83	C	98.7	Very high	97.2	Very high	37 Å²	37	41.3 Å²	41.3	25%	0.25	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	115.8	171.8	-169	0	0	0	0	109.8	K96 T220	C83-K96 HydrophobicContact CB-CB 4.4Å; C83-K96 PolarHBondContact N-O 2.85Å; C83-K96 PolarHBondContact O-N 2.82Å; C83-T220 WeakPolarHBondContact CA-O 3.37Å
84	L	98.7	Very high	97.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.1	-174.6	-56.2	176.5	0	0	0	111.3	F93 D94 F165 T220 L221 I222 F265	L84-F93 HydrophobicContact CD2-CD2 4.38Å; L84-D94 WeakPolarHBondContact CA-O 3.39Å; L84-F165 HydrophobicContact CD2-CE2 4.43Å; L84-F165 HydrophobicContact CD2-CZ 4.06Å; L84-T220 PolarHBondContact N-O 3.31Å; L84-L221 HydrophobicContact CB-CD2 4.08Å; L84-L221 HydrophobicContact CD1-CD2 4.44Å; L84-L221 WeakPolarHBondContact O-CA 3.36Å; L84-I222 PolarHBondContact O-N 2.69Å; L84-F265 HydrophobicContact CD1-CD2 4.26Å; L84-F265 HydrophobicContact CD1-CE1 3.79Å; L84-F265 HydrophobicContact CD1-CE2 3.46Å; L84-F265 VanDerWaalsContact CD1-CE2 3.46Å; L84-F265 HydrophobicContact CD1-CZ 3.19Å
85	K	98.3	Very high	97.7	Very high	56 Å²	56	38.1 Å²	38.1	24%	0.243	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	88.3	176.4	-178.7	-176.2	143.8	-72	0	110	F93 D94 I222	K85-F93 WeakPolarHBondContact O-CA 3.43Å; K85-D94 HydrophobicContact CB-CB 4.23Å; K85-D94 PolarHBondContact N-O 3.23Å; K85-D94 IonicContact NZ-OD2 3.26Å; K85-D94 PolarHBondContact NZ-OD2 2.99Å; K85-D94 PolarHBondContact O-N 3.05Å; K85-I222 HydrophobicContact CB-CB 3.98Å; K85-I222 HydrophobicContact CB-CD1 4.3Å; K85-I222 HydrophobicContact CB-CG2 4.44Å; K85-I222 HydrophobicContact CD-CG2 4.22Å; K85-I222 HydrophobicContact CG-CB 4.06Å; K85-I222 HydrophobicContact CG-CG2 3.99Å
86	P	97.8	Very high	97.7	Very high	10 Å²	10	43.1 Å²	43.1	7%	0.065	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.6	176.9	29.5	-34.2	0	0	0	113.1	F93 L169 F176 A192 I267	P86-F93 HydrophobicContact CB-CB 4.24Å; P86-L169 HydrophobicContact CB-CD1 4.12Å; P86-F176 HydrophobicContact CB-CE1 4Å; P86-F176 HydrophobicContact CB-CZ 3.89Å; P86-F176 HydrophobicContact CG-CZ 4.14Å; P86-A192 HydrophobicContact CB-CB 4.49Å; P86-I267 HydrophobicContact CG-CD1 4.24Å; P86-I267 HydrophobicContact CG-CG1 4.19Å
87	D	96.5	Very high	97.8	Very high	51 Å²	51	41.1 Å²	41.1	27%	0.273	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	115.6	169.6	-162.9	-65.1	0	0	0	110.5	I89 D90 F91 T92	D87-I89 VanDerWaalsContact C-N 3.27Å; D87-I89 PolarHBondContact O-N 3.24Å; D87-I89 WeakPolarHBondContact OD1-CA 3.26Å; D87-I89 WeakPolarHBondContact OD1-CB 3.33Å; D87-I89 PolarHBondContact OD1-N 2.86Å; D87-D90 PolarHBondContact OD1-N 2.89Å; D87-F91 WeakPolarHBondContact O-CA 3.43Å; D87-F91 PolarHBondContact O-N 2.95Å; D87-T92 PolarHBondContact N-O 3.41Å
88	L	95.3	Very high	97.9	Very high	29 Å²	29	45.6 Å²	45.6	15%	0.152	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	8.7	-177.4	-58.5	178.9	0	0	0	113.5	F91 L169 A192 I267	L88-F91 WeakPolarHBondContact O-CE1 3.19Å; L88-L169 HydrophobicContact CD2-CD1 4.11Å; L88-A192 HydrophobicContact CD2-CB 3.71Å; L88-I267 HydrophobicContact CD1-CG2 4.49Å
89	I	93.8	Very high	97.9	Very high	138 Å²	138	41.7 Å²	41.7	71%	0.708	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-52.8	177.8	-55.5	176.1	0	0	0	109.6	D87 F91	D87-I89 VanDerWaalsContact C-N 3.27Å; D87-I89 PolarHBondContact O-N 3.24Å; D87-I89 WeakPolarHBondContact OD1-CA 3.26Å; D87-I89 WeakPolarHBondContact OD1-CB 3.33Å; D87-I89 PolarHBondContact OD1-N 2.86Å; I89-F91 VanDerWaalsContact C-N 3.33Å
90	D	96.2	Very high	97.9	Very high	123 Å²	123	45.9 Å²	45.9	66%	0.658	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.4	179.9	-74	-12.4	0	0	0	112.7	D87 T92	D87-D90 PolarHBondContact OD1-N 2.89Å; D90-T92 VanDerWaalsContact C-N 3.32Å; D90-T92 PolarHBondContact O-N 3.32Å
91	F	97.4	Very high	97.8	Very high	44 Å²	44	46 Å²	46	19%	0.193	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	41.3	179.5	-53.9	-51.1	0	0	0	114.5	D87 L88 I89 L169 R178 Y190	D87-F91 WeakPolarHBondContact O-CA 3.43Å; D87-F91 PolarHBondContact O-N 2.95Å; L88-F91 WeakPolarHBondContact O-CE1 3.19Å; I89-F91 VanDerWaalsContact C-N 3.33Å; F91-L169 HydrophobicContact CB-CB 4.22Å; F91-L169 PolarHBondContact O-N 3.02Å; F91-R178 HydrophobicContact CD1-CB 4.18Å; F91-R178 HydrophobicContact CE1-CB 4.47Å; F91-Y190 AromaticContact CE1-CD1 3.81Å; F91-Y190 HydrophobicContact CE1-CD1 3.81Å; F91-Y190 AromaticContact CE1-CD2 3.9Å; F91-Y190 HydrophobicContact CE1-CD2 3.9Å; F91-Y190 HydrophobicContact CE1-CE1 4.14Å; F91-Y190 HydrophobicContact CE1-CE2 4.26Å; F91-Y190 AromaticContact CE1-CG 3.67Å; F91-Y190 HydrophobicContact CE1-CG 3.67Å; F91-Y190 AromaticContact CZ-CD1 3.95Å; F91-Y190 HydrophobicContact CZ-CD1 3.95Å; F91-Y190 AromaticContact CZ-CD2 3.83Å; F91-Y190 HydrophobicContact CZ-CD2 3.83Å; F91-Y190 AromaticContact CZ-CE1 3.8Å; F91-Y190 HydrophobicContact CZ-CE1 3.8Å; F91-Y190 AromaticContact CZ-CE2 3.71Å; F91-Y190 HydrophobicContact CZ-CE2 3.71Å; F91-Y190 AromaticContact CZ-CG 3.96Å; F91-Y190 HydrophobicContact CZ-CG 3.96Å; F91-Y190 AromaticContact CZ-CZ 3.69Å
92	T	97.9	Very high	97.8	Very high	57 Å²	57	48 Å²	48	35%	0.35	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	174	173.4	55.7	0	0	0	0	110.5	D87 D90 G167	D87-T92 PolarHBondContact N-O 3.41Å; D90-T92 VanDerWaalsContact C-N 3.32Å; D90-T92 PolarHBondContact O-N 3.32Å; T92-G167 CarbonylContact C-O 3.51Å; T92-G167 VanDerWaalsContact CA-O 3.23Å; T92-G167 WeakPolarHBondContact CA-O 3.49Å
93	F	98.6	Very high	97.8	Very high	1 Å²	1	48 Å²	48	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	137.8	169	59.1	-84.1	0	0	0	111.9	L84 K85 P86 I117 F165 V166 G167 L169 F176 A204	L84-F93 HydrophobicContact CD2-CD2 4.38Å; K85-F93 WeakPolarHBondContact O-CA 3.43Å; P86-F93 HydrophobicContact CB-CB 4.24Å; F93-I117 HydrophobicContact CE2-CD1 4.09Å; F93-I117 HydrophobicContact CZ-CD1 3.74Å; F93-F165 HydrophobicContact CE2-CE2 4.1Å; F93-V166 WeakPolarHBondContact O-CA 3.43Å; F93-G167 WeakPolarHBondContact CD1-O 3.47Å; F93-G167 VanDerWaalsContact CE1-C 3.42Å; F93-G167 PolarHBondContact N-O 3.22Å; F93-G167 PolarHBondContact O-N 3.19Å; F93-G167 VanDerWaalsContact O-N 3.12Å; F93-L169 HydrophobicContact CD1-CD2 3.92Å; F93-L169 HydrophobicContact CD1-CG 4.11Å; F93-L169 HydrophobicContact CE1-CD2 4.38Å; F93-F176 HydrophobicContact CB-CD1 4.49Å; F93-F176 HydrophobicContact CB-CE1 4.15Å; F93-F176 AromaticContact CD1-CD1 3.6Å; F93-F176 HydrophobicContact CD1-CD1 3.6Å; F93-F176 HydrophobicContact CD1-CE1 4.08Å; F93-F176 AromaticContact CD2-CD1 3.98Å; F93-F176 HydrophobicContact CD2-CD1 3.98Å; F93-F176 HydrophobicContact CD2-CE1 4.23Å; F93-F176 HydrophobicContact CE1-CB 4.16Å; F93-F176 AromaticContact CE1-CD1 3.62Å; F93-F176 HydrophobicContact CE1-CD1 3.62Å; F93-F176 HydrophobicContact CE1-CG 4.32Å; F93-F176 AromaticContact CE2-CD1 3.99Å; F93-F176 HydrophobicContact CE2-CD1 3.99Å; F93-F176 AromaticContact CG-CD1 3.78Å; F93-F176 HydrophobicContact CG-CD1 3.78Å; F93-F176 AromaticContact CG-CE1 3.92Å; F93-F176 HydrophobicContact CG-CE1 3.92Å; F93-F176 HydrophobicContact CZ-CB 4.23Å; F93-F176 AromaticContact CZ-CD1 3.81Å; F93-F176 HydrophobicContact CZ-CD1 3.81Å; F93-A204 WeakPolarHBondContact CE2-O 3.43Å
94	D	98.6	Very high	97.7	Very high	78 Å²	78	49.4 Å²	49.4	42%	0.417	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136.6	165.6	-52.3	-60.5	0	0	0	108.5	L84 K85	L84-D94 WeakPolarHBondContact CA-O 3.39Å; K85-D94 HydrophobicContact CB-CB 4.23Å; K85-D94 PolarHBondContact N-O 3.23Å; K85-D94 IonicContact NZ-OD2 3.26Å; K85-D94 PolarHBondContact NZ-OD2 2.99Å; K85-D94 PolarHBondContact O-N 3.05Å
95	G	98.6	Very high	97.6	Very high	2 Å²	2	54.7 Å²	54.7	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	139.4	177.5	0	0	0	0	0	113.3	E164 F165	G95-E164 WeakPolarHBondContact O-CA 3.39Å; G95-F165 PolarHBondContact N-O 2.88Å; G95-F165 WeakPolarHBondContact O-CD1 3.34Å; G95-F165 PolarHBondContact O-N 2.85Å
96	K	98.8	Very high	97.6	Very high	110 Å²	110	54.9 Å²	54.9	48%	0.478	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.4	167.9	-54.1	-162.6	-178.2	-153.7	0	110	C83 I163 E164	C83-K96 HydrophobicContact CB-CB 4.4Å; C83-K96 PolarHBondContact N-O 2.85Å; C83-K96 PolarHBondContact O-N 2.82Å; K96-I163 WeakPolarHBondContact CA-O 3.44Å; K96-E164 HydrophobicContact CD-CG 4.3Å; K96-E164 VanDerWaalsContact CE-OE1 3.29Å; K96-E164 WeakPolarHBondContact CE-OE1 3.42Å; K96-E164 HydrophobicContact CG-CG 4.28Å; K96-E164 IonicContact NZ-OE1 2.86Å; K96-E164 PolarHBondContact NZ-OE1 3.47Å
97	L	98.7	Very high	97.6	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.7	172.8	171.7	60.5	0	0	0	109.2	Y80 G81 L82 A99 K162 I163 F165 P206	Y80-L97 HydrophobicContact CD1-CD1 3.7Å; Y80-L97 HydrophobicContact CD1-CD2 4.29Å; Y80-L97 HydrophobicContact CG-CD1 4.36Å; G81-L97 CarbonylContact O-C 3.53Å; G81-L97 WeakPolarHBondContact O-CA 3.27Å; L82-L97 HydrophobicContact CD2-CB 4.25Å; L82-L97 HydrophobicContact CD2-CD1 3.78Å; L82-L97 HydrophobicContact CG-CD1 4.24Å; L97-A99 HydrophobicContact CD1-CB 4Å; L97-A99 HydrophobicContact CD2-CB 4.25Å; L97-A99 HydrophobicContact CG-CB 4.09Å; L97-K162 CarbonylContact O-C 3.54Å; L97-K162 VanDerWaalsContact O-CA 3.24Å; L97-K162 WeakPolarHBondContact O-CA 3.38Å; L97-I163 HydrophobicContact CB-CB 4.35Å; L97-I163 HydrophobicContact CD2-CD1 4.26Å; L97-I163 PolarHBondContact N-O 2.99Å; L97-I163 PolarHBondContact O-N 2.7Å; L97-F165 HydrophobicContact CB-CE1 4.1Å; L97-P206 WeakPolarHBondContact CD2-O 3.47Å
98	E	98.6	Very high	97.6	Very high	103 Å²	103	56.8 Å²	56.8	48%	0.481	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	89.3	161.5	-61.9	-159.7	128.8	0	0	108.3	G81 T160 K162	G81-E98 WeakPolarHBondContact CA-O 3.33Å; G81-E98 PolarHBondContact N-O 3.44Å; G81-E98 PolarHBondContact O-N 3.29Å; E98-T160 HydrophobicContact CB-CG2 4.05Å; E98-K162 HydrophobicContact CG-CG 4.17Å; E98-K162 WeakPolarHBondContact OE1-CD 3.49Å; E98-K162 WeakPolarHBondContact OE1-CE 3.5Å
99	A	98.3	Very high	97.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.3	178.9	0	0	0	0	0	110.9	N79 Y80 L97 V101 T160 L161	N79-A99 CarbonylContact O-C 3.6Å; N79-A99 VanDerWaalsContact O-CA 3.31Å; N79-A99 WeakPolarHBondContact O-CA 3.41Å; Y80-A99 HydrophobicContact CD1-CB 4.47Å; L97-A99 HydrophobicContact CD1-CB 4Å; L97-A99 HydrophobicContact CD2-CB 4.25Å; L97-A99 HydrophobicContact CG-CB 4.09Å; A99-V101 HydrophobicContact CB-CG1 4Å; A99-T160 CarbonylContact O-C 3.58Å; A99-T160 VanDerWaalsContact O-CA 3.32Å; A99-T160 WeakPolarHBondContact O-CA 3.45Å; A99-L161 HydrophobicContact CB-CB 4.38Å; A99-L161 PolarHBondContact N-O 2.98Å; A99-L161 PolarHBondContact O-N 2.97Å
100	Q	98.6	Very high	97.9	Very high	102 Å²	102	53 Å²	53	48%	0.477	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	123.7	163.5	-58.1	-179.2	69.6	0	0	108.5	V78 N79	V78-Q100 PolarHBondContact N-O 2.73Å; N79-Q100 HydrophobicContact CB-CB 4.11Å; N79-Q100 HydrophobicContact CB-CG 4.29Å; N79-Q100 PolarHBondContact N-O 3.05Å; N79-Q100 PolarHBondContact O-N 3.1Å; N79-Q100 PolarHBondContact OD1-NE2 3.48Å
101	V	98.1	Very high	98	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	151.4	-176.1	-53.9	0	0	0	0	110.8	V75 C76 A99 F124 S158 G159 L161 W208	V75-V101 HydrophobicContact CG1-CB 3.77Å; V75-V101 HydrophobicContact CG1-CG1 4.41Å; V75-V101 HydrophobicContact CG1-CG2 3.73Å; C76-V101 CarbonylContact O-C 3.48Å; C76-V101 VanDerWaalsContact O-CA 3.27Å; C76-V101 WeakPolarHBondContact O-CA 3.38Å; C76-V101 WeakPolarHBondContact O-CB 3.49Å; A99-V101 HydrophobicContact CB-CG1 4Å; V101-F124 HydrophobicContact CG2-CD2 4.29Å; V101-F124 HydrophobicContact CG2-CE2 3.62Å; V101-S158 WeakPolarHBondContact O-CA 3.15Å; V101-G159 PolarHBondContact N-O 2.76Å; V101-G159 PolarHBondContact O-N 3.41Å; V101-L161 HydrophobicContact CG1-CB 4.35Å; V101-L161 HydrophobicContact CG2-CB 4.44Å; V101-W208 HydrophobicContact CG1-CH2 3.83Å; V101-W208 HydrophobicContact CG1-CZ3 4.16Å
102	E	98.1	Very high	97.9	Very high	62 Å²	62	46.4 Å²	46.4	29%	0.29	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.4	171.1	-172.6	71.2	-159.8	0	0	108.9	V75 C76 V78 I104 G157 S158	V75-E102 WeakPolarHBondContact CA-O 3.47Å; C76-E102 PolarHBondContact N-O 3.21Å; C76-E102 PolarHBondContact O-N 2.74Å; V78-E102 HydrophobicContact CG2-CB 4.49Å; E102-I104 HydrophobicContact CB-CD1 4.28Å; E102-I104 HydrophobicContact CG-CD1 3.88Å; E102-I104 PolarHBondContact O-N 3.17Å; E102-G157 VanDerWaalsContact CD-C 3.5Å; E102-G157 VanDerWaalsContact OE1-C 3.3Å; E102-G157 WeakPolarHBondContact OE1-CA 3.17Å; E102-S158 WeakPolarHBondContact OE2-CA 3.29Å; E102-S158 WeakPolarHBondContact OE2-CB 3.24Å; E102-S158 PolarHBondContact OE2-N 2.94Å; E102-S158 VanDerWaalsContact OE2-N 3.12Å; E102-S158 PolarHBondContact OE2-OG 2.94Å
103	V	97.8	Very high	97.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	108.5	172.5	-179.2	0	0	0	0	107.5	D74 V75 Q105 F124 L154 K156 G157	D74-V103 CarbonylContact O-C 3.55Å; V75-V103 HydrophobicContact CG1-CG2 4.49Å; V75-V103 HydrophobicContact CG2-CB 4.46Å; V75-V103 HydrophobicContact CG2-CG1 4.31Å; V75-V103 HydrophobicContact CG2-CG2 4.11Å; V103-Q105 WeakPolarHBondContact CG1-O 3.46Å; V103-F124 HydrophobicContact CG2-CE2 4.37Å; V103-F124 HydrophobicContact CG2-CZ 3.84Å; V103-L154 HydrophobicContact CG2-CB 4.41Å; V103-K156 WeakPolarHBondContact O-CA 3.24Å; V103-K156 WeakPolarHBondContact O-CG 3.38Å; V103-G157 WeakPolarHBondContact CB-O 3.27Å; V103-G157 PolarHBondContact N-O 3.26Å; V103-G157 PolarHBondContact O-N 3.4Å
104	I	97.4	Very high	97.9	Very high	68 Å²	68	44.1 Å²	44.1	35%	0.349	23%	0.226	S	C	.	.	S	Bend	trans	-82.1	-40.6	-177.8	-53	-59	0	0	0	111.1	D74 E102 K156	D74-I104 PolarHBondContact O-N 3.35Å; E102-I104 HydrophobicContact CB-CD1 4.28Å; E102-I104 HydrophobicContact CG-CD1 3.88Å; E102-I104 PolarHBondContact O-N 3.17Å; I104-K156 WeakPolarHBondContact O-CD 3.27Å; I104-K156 WeakPolarHBondContact O-CE 3.22Å; I104-K156 PolarHBondContact O-NZ 3.46Å
105	Q	97.2	Very high	97.7	Very high	111 Å²	111	41 Å²	41	52%	0.519	21%	0.211	S	C	.	.	S	Bend	trans	-126.4	141.3	177.1	-54.6	-159.3	94.1	0	0	109.7	D74 V103 T107	D74-Q105 HydrophobicContact CB-CB 4.24Å; D74-Q105 PolarHBondContact O-N 2.98Å; D74-Q105 VanDerWaalsContact O-N 3.14Å; D74-Q105 WeakPolarHBondContact OD1-CB 3.15Å; D74-Q105 PolarHBondContact OD1-NE2 3.14Å; V103-Q105 WeakPolarHBondContact CG1-O 3.46Å; Q105-T107 PolarHBondContact O-N 2.83Å
106	A	97.1	Very high	97.5	Very high	60 Å²	60	45 Å²	45	50%	0.496	23%	0.232	S	C	.	.			trans	-71.1	118.7	-176.5	0	0	0	0	0	110.9	L154	A106-L154 VanDerWaalsContact CA-O 3.32Å; A106-L154 WeakPolarHBondContact CA-O 3.45Å
107	T	97.5	Very high	97.5	Very high	22 Å²	22	40.1 Å²	40.1	14%	0.135	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	153.2	-171.2	176.7	0	0	0	0	110.8	D74 V75 Q105 Q109 S153 L154	D74-T107 HydrophobicContact CB-CG2 4.3Å; V75-T107 HydrophobicContact CG2-CG2 3.8Å; Q105-T107 PolarHBondContact O-N 2.83Å; T107-Q109 VanDerWaalsContact CG2-O 3.28Å; T107-Q109 WeakPolarHBondContact CG2-O 3.31Å; T107-Q109 PolarHBondContact OG1-N 2.99Å; T107-Q109 PolarHBondContact OG1-O 2.88Å; T107-S153 PolarHBondContact N-OG 3.38Å; T107-S153 CarbonylContact O-C 3.48Å; T107-S153 WeakPolarHBondContact O-CA 3.42Å; T107-L154 PolarHBondContact N-O 2.92Å; T107-L154 WeakPolarHBondContact O-CA 3.46Å; T107-L154 WeakPolarHBondContact O-CB 3.41Å; T107-L154 PolarHBondContact O-N 2.96Å
108	N	96.7	Very high	97.4	Very high	80 Å²	80	45.4 Å²	45.4	43%	0.428	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	11.8	168.7	73.4	-50.5	0	0	0	112.8	F150	N108-F150 PolarHBondContact O-N 2.88Å
109	Q	97.5	Very high	97.4	Very high	84 Å²	84	41.1 Å²	41.1	39%	0.393	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	144.4	-179.3	-69.6	-175.7	-21.8	0	0	111.4	T107 T147 L148 S149	T107-Q109 VanDerWaalsContact CG2-O 3.28Å; T107-Q109 WeakPolarHBondContact CG2-O 3.31Å; T107-Q109 PolarHBondContact OG1-N 2.99Å; T107-Q109 PolarHBondContact OG1-O 2.88Å; Q109-T147 HydrophobicContact CB-CG2 3.95Å; Q109-T147 HydrophobicContact CG-CG2 4.02Å; Q109-L148 VanDerWaalsContact CA-O 3.28Å; Q109-L148 WeakPolarHBondContact CA-O 3.49Å; Q109-S149 PolarHBondContact NE2-OG 2.72Å
110	I	98.1	Very high	97.4	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.2	167.1	-61.8	177.8	0	0	0	107.4	V75 M112 T147 L148 F150 L154 L161 W208	V75-I110 HydrophobicContact CG1-CD1 4.49Å; V75-I110 HydrophobicContact CG2-CG1 4.21Å; I110-M112 HydrophobicContact CG2-CE 4.34Å; I110-T147 CarbonylContact O-C 3.44Å; I110-T147 WeakPolarHBondContact O-CA 3.43Å; I110-L148 HydrophobicContact CB-CB 4.43Å; I110-L148 PolarHBondContact N-O 2.85Å; I110-L148 PolarHBondContact O-N 2.85Å; I110-F150 HydrophobicContact CB-CE2 4.27Å; I110-F150 HydrophobicContact CD1-CE2 3.8Å; I110-F150 HydrophobicContact CD1-CZ 4.09Å; I110-F150 HydrophobicContact CG1-CE2 3.83Å; I110-L154 HydrophobicContact CD1-CD1 3.89Å; I110-L154 HydrophobicContact CG1-CD1 4.14Å; I110-L161 HydrophobicContact CD1-CD1 4.17Å; I110-L161 HydrophobicContact CD1-CD2 4.08Å; I110-L161 HydrophobicContact CG2-CD2 4.2Å; I110-W208 HydrophobicContact CG2-CH2 3.94Å; I110-W208 HydrophobicContact CG2-CZ2 3.72Å
111	V	97.6	Very high	97.4	Very high	29 Å²	29	44.3 Å²	44.3	18%	0.176	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.9	177.8	-174.3	0	0	0	0	108.5	L71 P72 V146 T147	L71-V111 HydrophobicContact CD2-CG1 4.16Å; P72-V111 HydrophobicContact CG-CB 4.08Å; P72-V111 HydrophobicContact CG-CG2 4.2Å; V111-V146 WeakPolarHBondContact CA-O 3.34Å; V111-T147 HydrophobicContact CG2-CG2 3.99Å
112	M	97.1	Very high	97.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	164.2	-177.2	47.8	170.8	44.7	0	0	109.9	I110 K145 V146 L148 L161 I163 P206 W208	I110-M112 HydrophobicContact CG2-CE 4.34Å; M112-K145 CarbonylContact O-C 3.52Å; M112-K145 VanDerWaalsContact O-CA 3.3Å; M112-K145 WeakPolarHBondContact O-CA 3.27Å; M112-V146 HydrophobicContact CG-CG1 3.74Å; M112-V146 PolarHBondContact N-O 2.74Å; M112-V146 VanDerWaalsContact N-O 3.12Å; M112-V146 PolarHBondContact O-N 2.9Å; M112-V146 HydrophobicContact SD-CG1 4.33Å; M112-L148 HydrophobicContact SD-CD1 4.21Å; M112-L161 HydrophobicContact CE-CD2 3.57Å; M112-I163 HydrophobicContact CE-CD1 4.09Å; M112-I163 HydrophobicContact SD-CD1 3.74Å; M112-P206 HydrophobicContact SD-CB 3.48Å; M112-P206 WeakPolarHBondContact SD-CB 3.45Å; M112-W208 HydrophobicContact CE-CE3 3.98Å; M112-W208 HydrophobicContact CE-CH2 3.66Å; M112-W208 HydrophobicContact CE-CZ2 4.41Å; M112-W208 HydrophobicContact CE-CZ3 3.42Å; M112-W208 VanDerWaalsContact CE-CZ3 3.42Å
113	N	97.7	Very high	97.4	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	142.7	172.8	-68.9	106.7	0	0	0	111.5	L71 E144 R202 P206 C207 D209	L71-N113 WeakPolarHBondContact CD1-OD1 3.35Å; N113-E144 VanDerWaalsContact CA-O 3.24Å; N113-E144 WeakPolarHBondContact CA-O 3.36Å; N113-E144 PolarHBondContact ND2-O 3.26Å; N113-R202 HydrophobicContact CB-CB 3.76Å; N113-R202 PolarHBondContact ND2-NH2 3.07Å; N113-P206 WeakPolarHBondContact O-CA 3.38Å; N113-C207 WeakPolarHBondContact CB-O 3.48Å; N113-C207 PolarHBondContact N-O 2.68Å; N113-C207 PolarHBondContact O-N 3.18Å; N113-C207 VanDerWaalsContact O-N 3.09Å; N113-D209 HydrophobicContact CB-CB 3.69Å; N113-D209 PolarHBondContact OD1-N 2.95Å
114	C	97.1	Very high	97.5	Very high	5 Å²	5	42 Å²	42	3%	0.034	23%	0.232	C	C	.	.			trans	-163.6	125.3	-180	-171.1	0	0	0	0	108.5	E144 V146 P206	C114-E144 PolarHBondContact N-O 3.38Å; C114-E144 CarbonylContact O-C 3.56Å; C114-V146 HydrophobicContact CB-CB 3.87Å; C114-V146 HydrophobicContact CB-CG1 3.5Å; C114-P206 HydrophobicContact CB-CB 4.49Å
115	A	95.5	Very high	97.5	Very high	13 Å²	13	40.4 Å²	40.4	11%	0.107	23%	0.226	C	C	.	.	S	Bend	trans	-146.1	145.6	173.6	0	0	0	0	0	109.1	I117 E144 R202 R203	A115-I117 WeakPolarHBondContact O-CG1 3.28Å; A115-I117 PolarHBondContact O-N 3.31Å; A115-I117 VanDerWaalsContact O-N 3.09Å; A115-E144 HydrophobicContact CB-CB 4.25Å; A115-E144 HydrophobicContact CB-CG 4.11Å; A115-R202 HydrophobicContact CB-CG 4.36Å; A115-R202 PolarHBondContact N-O 2.84Å; A115-R202 VanDerWaalsContact N-O 3.08Å; A115-R203 HydrophobicContact CB-CG 4.17Å; A115-R203 WeakPolarHBondContact O-CA 3.15Å
116	D	94.8	Very high	97.4	Very high	85 Å²	85	36.5 Å²	36.5	46%	0.455	21%	0.21	S	C	.	.	S	Bend	trans	53.6	27.9	180	-52.6	-27.2	0	0	0	114.8	K172 R203	D116-K172 IonicContact OD2-NZ 2.64Å; D116-R203 HydrophobicContact CB-CG 4.42Å; D116-R203 WeakPolarHBondContact OD2-CD 3.19Å; D116-R203 IonicContact OD2-CZ 3.26Å; D116-R203 IonicContact OD2-NE 2.87Å; D116-R203 IonicContact OD2-NH1 3.93Å; D116-R203 PolarHBondContact OD2-NH1 2.68Å
117	I	97.5	Very high	97.1	Very high	8 Å²	8	42 Å²	42	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.2	-178.2	-67.1	-74.2	0	0	0	110.3	F93 A115 F165 P206	F93-I117 HydrophobicContact CE2-CD1 4.09Å; F93-I117 HydrophobicContact CZ-CD1 3.74Å; A115-I117 WeakPolarHBondContact O-CG1 3.28Å; A115-I117 PolarHBondContact O-N 3.31Å; A115-I117 VanDerWaalsContact O-N 3.09Å; I117-F165 HydrophobicContact CD1-CD2 4.03Å; I117-F165 HydrophobicContact CD1-CE2 4.18Å; I117-F165 HydrophobicContact CG2-CB 3.86Å; I117-F165 HydrophobicContact CG2-CD2 3.65Å; I117-F165 HydrophobicContact CG2-CG 4.01Å; I117-P206 HydrophobicContact CG2-CG 4.05Å
118	D	97.6	Very high	96.7	Very high	113 Å²	113	45.3 Å²	45.3	60%	0.604	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	108.8	174.6	-83	-41.9	0	0	0	110.9	F165 V166	D118-F165 CarbonylContact O-C 3.48Å; D118-F165 WeakPolarHBondContact O-CA 3.44Å; D118-F165 WeakPolarHBondContact O-CB 3.49Å; D118-V166 PolarHBondContact N-O 2.8Å; D118-V166 PolarHBondContact O-N 2.82Å
119	I	98.4	Very high	96.4	Very high	13 Å²	13	44.1 Å²	44.1	7%	0.067	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	123	172.6	-58.8	177.5	0	0	0	110.4	T121 A122 F137 Y139 V146 L148 I163 F165 P206	I119-T121 WeakPolarHBondContact CG2-O 3.45Å; I119-A122 HydrophobicContact CG2-CB 4.47Å; I119-F137 HydrophobicContact CB-CD2 4.01Å; I119-F137 HydrophobicContact CB-CE2 4.11Å; I119-F137 HydrophobicContact CG2-CD1 4.47Å; I119-F137 HydrophobicContact CG2-CD2 3.93Å; I119-F137 HydrophobicContact CG2-CE1 4.18Å; I119-F137 HydrophobicContact CG2-CE2 3.6Å; I119-F137 HydrophobicContact CG2-CG 4.37Å; I119-F137 HydrophobicContact CG2-CZ 3.75Å; I119-F137 WeakPolarHBondContact O-CE2 3.32Å; I119-Y139 WeakPolarHBondContact CB-OH 3.17Å; I119-Y139 PolarHBondContact N-OH 3.3Å; I119-V146 HydrophobicContact CD1-CG1 4.07Å; I119-V146 HydrophobicContact CD1-CG2 4.35Å; I119-L148 HydrophobicContact CD1-CD2 4Å; I119-I163 HydrophobicContact CB-CG2 4.39Å; I119-I163 HydrophobicContact CD1-CG2 4.16Å; I119-I163 HydrophobicContact CG1-CG2 4.06Å; I119-I163 HydrophobicContact CG2-CG2 3.58Å; I119-F165 HydrophobicContact CG1-CB 4.39Å; I119-P206 HydrophobicContact CD1-CB 4.38Å; I119-P206 HydrophobicContact CD1-CG 3.96Å; I119-P206 HydrophobicContact CG1-CG 4.09Å
120	I	98.4	Very high	96.2	Very high	105 Å²	105	47.1 Å²	47.1	54%	0.538	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-46	179.1	-49.6	-55.8	0	0	0	110.9	E164 V166	I120-E164 WeakPolarHBondContact CA-O 3.37Å; I120-E164 PolarHBondContact N-O 3.03Å; I120-V166 HydrophobicContact CD1-CG2 4.28Å; I120-V166 HydrophobicContact CG1-CG2 4.19Å
121	T	98.3	Very high	96.1	Very high	63 Å²	63	51.2 Å²	51.2	39%	0.387	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	152	175.5	69.7	0	0	0	0	111.2	I119 I163 E164	I119-T121 WeakPolarHBondContact CG2-O 3.45Å; T121-I163 WeakPolarHBondContact O-CA 3.38Å; T121-I163 WeakPolarHBondContact O-CG2 3.38Å; T121-E164 PolarHBondContact N-O 3.33Å; T121-E164 VanDerWaalsContact N-O 3.14Å; T121-E164 PolarHBondContact O-N 3.15Å; T121-E164 WeakPolarHBondContact OG1-CB 3.34Å; T121-E164 WeakPolarHBondContact OG1-CG 3.47Å; T121-E164 PolarHBondContact OG1-OE2 3.35Å
122	A	98.4	Very high	96.1	Very high	6 Å²	6	51.6 Å²	51.6	5%	0.05	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	143.6	164.6	0	0	0	0	0	111.6	I119 A134 F137 L148 K162 I163	I119-A122 HydrophobicContact CG2-CB 4.47Å; A122-A134 HydrophobicContact CB-CB 4.31Å; A122-A134 WeakPolarHBondContact O-CB 3.19Å; A122-A134 PolarHBondContact O-N 3.24Å; A122-F137 HydrophobicContact CB-CE1 3.76Å; A122-F137 HydrophobicContact CB-CZ 4.23Å; A122-L148 HydrophobicContact CB-CD1 4.22Å; A122-L148 HydrophobicContact CB-CD2 4.38Å; A122-K162 CarbonylContact C-O 3.36Å; A122-K162 VanDerWaalsContact CA-O 3.22Å; A122-K162 WeakPolarHBondContact CA-O 3.43Å; A122-I163 HydrophobicContact CB-CG1 4.16Å; A122-I163 HydrophobicContact CB-CG2 4.45Å
123	S	98.3	Very high	96.2	Very high	7 Å²	7	56.9 Å²	56.9	5%	0.049	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	157.5	179.5	64.9	0	0	0	0	111.1	E131 I132 L161 K162	S123-E131 WeakPolarHBondContact CB-OE1 3.45Å; S123-E131 PolarHBondContact OG-OE1 3.12Å; S123-I132 CarbonylContact C-O 3.59Å; S123-I132 WeakPolarHBondContact CA-O 3.28Å; S123-L161 WeakPolarHBondContact O-CA 3.34Å; S123-L161 WeakPolarHBondContact O-CD1 3.26Å; S123-K162 PolarHBondContact N-O 3.03Å; S123-K162 PolarHBondContact O-N 3.47Å
124	F	98.2	Very high	96.2	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.009	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.6	173.6	178	-102.3	0	0	0	110.3	V101 V103 P126 I132 F150 L154 T160 L161	V101-F124 HydrophobicContact CG2-CD2 4.29Å; V101-F124 HydrophobicContact CG2-CE2 3.62Å; V103-F124 HydrophobicContact CG2-CE2 4.37Å; V103-F124 HydrophobicContact CG2-CZ 3.84Å; F124-P126 HydrophobicContact CD1-CB 4.44Å; F124-P126 HydrophobicContact CD1-CG 3.86Å; F124-P126 HydrophobicContact CE1-CB 3.81Å; F124-P126 HydrophobicContact CE1-CG 3.71Å; F124-P126 WeakPolarHBondContact O-CD 3.18Å; F124-I132 PolarHBondContact N-O 3.39Å; F124-I132 PolarHBondContact O-N 3.07Å; F124-F150 HydrophobicContact CB-CD1 4.42Å; F124-F150 HydrophobicContact CB-CE1 3.67Å; F124-F150 HydrophobicContact CB-CZ 4.03Å; F124-L154 HydrophobicContact CB-CD1 4.37Å; F124-L154 HydrophobicContact CB-CD2 4.45Å; F124-L154 HydrophobicContact CD1-CD1 3.96Å; F124-L154 HydrophobicContact CD1-CD2 3.69Å; F124-L154 HydrophobicContact CD1-CG 4.28Å; F124-L154 HydrophobicContact CD2-CD1 4.47Å; F124-L154 HydrophobicContact CE1-CB 4.38Å; F124-L154 HydrophobicContact CE1-CD1 4.31Å; F124-L154 HydrophobicContact CE1-CD2 4.27Å; F124-L154 HydrophobicContact CG-CD1 4.01Å; F124-L154 HydrophobicContact CG-CD2 4.31Å; F124-T160 WeakPolarHBondContact CA-O 3.31Å; F124-L161 HydrophobicContact CD2-CB 4.41Å
125	V	97.8	Very high	96.2	Very high	36 Å²	36	62.2 Å²	62.2	22%	0.218	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	101.4	176.6	-172.5	0	0	0	0	108.4	E131 G159 T160	V125-E131 HydrophobicContact CG2-CB 3.96Å; V125-E131 HydrophobicContact CG2-CG 3.7Å; V125-G159 CarbonylContact O-C 3.5Å; V125-G159 WeakPolarHBondContact O-CA 3.5Å; V125-T160 PolarHBondContact N-O 3.37Å; V125-T160 PolarHBondContact O-N 2.85Å
126	P	95.7	Very high	96.2	Very high	29 Å²	29	63 Å²	63	19%	0.188	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	145.2	174.6	-5.3	20.5	0	0	0	109.8	F124 G128 A129 D130 I132	F124-P126 HydrophobicContact CD1-CB 4.44Å; F124-P126 HydrophobicContact CD1-CG 3.86Å; F124-P126 HydrophobicContact CE1-CB 3.81Å; F124-P126 HydrophobicContact CE1-CG 3.71Å; F124-P126 WeakPolarHBondContact O-CD 3.18Å; P126-G128 PolarHBondContact O-N 3.48Å; P126-A129 HydrophobicContact CB-CB 4.01Å; P126-A129 HydrophobicContact CG-CB 4Å; P126-A129 PolarHBondContact O-N 3.25Å; P126-D130 VanDerWaalsContact CD-O 3.26Å; P126-D130 WeakPolarHBondContact CD-O 3.41Å; P126-I132 HydrophobicContact CG-CD1 3.88Å; P126-I132 HydrophobicContact CG-CG1 4.4Å
127	K	91.7	Very high	96.3	Very high	175 Å²	175	62 Å²	62	76%	0.761	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	102	-175.1	-175.2	172.2	-177.1	171.7	0	112.5	S158	K127-S158 WeakPolarHBondContact CB-O 3.34Å; K127-S158 PolarHBondContact N-O 3.26Å
128	G	87.6	Confident	96.3	Very high	91 Å²	91	66 Å²	66	94%	0.938	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	17.7	-178.8	0	0	0	0	0	115	P126	P126-G128 PolarHBondContact O-N 3.48Å
129	A	91.6	Very high	96.2	Very high	55 Å²	55	64.4 Å²	64.4	46%	0.455	37%	0.373	S	S	.	.	S	Bend	trans	-128.8	173	173.5	0	0	0	0	0	111.6	P126	P126-A129 HydrophobicContact CB-CB 4.01Å; P126-A129 HydrophobicContact CG-CB 4Å; P126-A129 PolarHBondContact O-N 3.25Å
130	D	92.9	Very high	96	Very high	148 Å²	148	66.5 Å²	66.5	79%	0.791	38%	0.383	S	S	*	.			trans	-71.3	158.2	-179.9	-61.9	-51.4	0	0	0	113.1	P126	P126-D130 VanDerWaalsContact CD-O 3.26Å; P126-D130 WeakPolarHBondContact CD-O 3.41Å
131	E	96.9	Very high	95.6	Very high	89 Å²	89	67.9 Å²	67.9	42%	0.416	39%	0.391	S	S	.	.			trans	-74	123.7	-177.6	-175.6	153.5	-174.3	0	0	112.6	S123 V125 K162	S123-E131 WeakPolarHBondContact CB-OE1 3.45Å; S123-E131 PolarHBondContact OG-OE1 3.12Å; V125-E131 HydrophobicContact CG2-CB 3.96Å; V125-E131 HydrophobicContact CG2-CG 3.7Å; E131-K162 WeakPolarHBondContact OE1-CD 3.43Å; E131-K162 IonicContact OE1-NZ 4Å; E131-K162 PolarHBondContact OE1-NZ 2.71Å; E131-K162 IonicContact OE2-NZ 3.33Å; E131-K162 PolarHBondContact OE2-NZ 2.9Å
132	I	97.2	Very high	94.9	Very high	37 Å²	37	73.9 Å²	73.9	19%	0.19	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	103.4	-176.4	-49.2	178.5	0	0	0	109	S123 F124 P126 F150 P151 L154	S123-I132 CarbonylContact C-O 3.59Å; S123-I132 WeakPolarHBondContact CA-O 3.28Å; F124-I132 PolarHBondContact N-O 3.39Å; F124-I132 PolarHBondContact O-N 3.07Å; P126-I132 HydrophobicContact CG-CD1 3.88Å; P126-I132 HydrophobicContact CG-CG1 4.4Å; I132-F150 HydrophobicContact CG2-CD1 4.09Å; I132-P151 HydrophobicContact CG2-CG 3.84Å; I132-L154 HydrophobicContact CD1-CD2 4.03Å
133	N	97.9	Very high	94.3	Very high	110 Å²	110	75 Å²	75	59%	0.588	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	143.9	174.5	-65.4	-43.4	0	0	0	111.7	P151	N133-P151 WeakPolarHBondContact O-CD 3.4Å
134	A	97.7	Very high	94.1	Very high	23 Å²	23	76.7 Å²	76.7	19%	0.19	43%	0.427	C	S	.	.			trans	-67.7	148.1	170.1	0	0	0	0	0	111.3	A122 F137 S149 F150	A122-A134 HydrophobicContact CB-CB 4.31Å; A122-A134 WeakPolarHBondContact O-CB 3.19Å; A122-A134 PolarHBondContact O-N 3.24Å; A134-F137 HydrophobicContact CB-CE1 3.9Å; A134-S149 CarbonylContact C-O 3.43Å; A134-S149 WeakPolarHBondContact CA-O 3.13Å; A134-S149 WeakPolarHBondContact CB-O 3.36Å; A134-F150 HydrophobicContact CB-CD1 4.49Å; A134-F150 HydrophobicContact CB-CE1 4.17Å; A134-F150 HydrophobicContact CB-CZ 4.41Å
135	T	96.8	Very high	93.9	Very high	98 Å²	98	77.1 Å²	77.1	60%	0.601	43%	0.429	S	S	*	.	S	Bend	trans	-91.4	-11.8	177.3	52.1	0	0	0	0	113.7	S149 P151	T135-S149 PolarHBondContact N-O 3.33Å; T135-S149 PolarHBondContact OG1-O 3.47Å; T135-P151 HydrophobicContact CG2-CB 3.81Å; T135-P151 HydrophobicContact CG2-CG 4.33Å
136	G	95.8	Very high	93.9	Very high	31 Å²	31	75.4 Å²	75.4	32%	0.32	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	168.6	163.3	175.7	0	0	0	0	0	113.3	S149	G136-S149 PolarHBondContact O-N 2.74Å
137	F	97.3	Very high	94	Very high	64 Å²	64	74.4 Å²	74.4	28%	0.281	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.6	179.3	-37.6	-46.2	0	0	0	108.6	I119 A122 A134 Y139 V146 L148	I119-F137 HydrophobicContact CB-CD2 4.01Å; I119-F137 HydrophobicContact CB-CE2 4.11Å; I119-F137 HydrophobicContact CG2-CD1 4.47Å; I119-F137 HydrophobicContact CG2-CD2 3.93Å; I119-F137 HydrophobicContact CG2-CE1 4.18Å; I119-F137 HydrophobicContact CG2-CE2 3.6Å; I119-F137 HydrophobicContact CG2-CG 4.37Å; I119-F137 HydrophobicContact CG2-CZ 3.75Å; I119-F137 WeakPolarHBondContact O-CE2 3.32Å; A122-F137 HydrophobicContact CB-CE1 3.76Å; A122-F137 HydrophobicContact CB-CZ 4.23Å; A134-F137 HydrophobicContact CB-CE1 3.9Å; F137-Y139 HydrophobicContact CB-CE2 4.05Å; F137-V146 HydrophobicContact CB-CG2 4.05Å; F137-L148 HydrophobicContact CB-CD2 4.47Å; F137-L148 HydrophobicContact CD1-CD2 3.53Å; F137-L148 HydrophobicContact CE1-CD2 4.17Å; F137-L148 HydrophobicContact CG-CD2 4.26Å
138	N	97.4	Very high	94.4	Very high	91 Å²	91	66.1 Å²	66.1	49%	0.487	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	103	177.9	179.1	50	0	0	0	109.6	V146 T147	N138-V146 WeakPolarHBondContact O-CA 3.22Å; N138-T147 PolarHBondContact N-O 3.41Å; N138-T147 PolarHBondContact O-N 2.87Å
139	Y	96.6	Very high	94.9	Very high	79 Å²	79	63 Å²	63	31%	0.31	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	140.9	179.5	-61.4	-90	0	0	0	111.4	I119 F137 N141 V146	I119-Y139 WeakPolarHBondContact CB-OH 3.17Å; I119-Y139 PolarHBondContact N-OH 3.3Å; F137-Y139 HydrophobicContact CB-CE2 4.05Å; Y139-N141 WeakPolarHBondContact CB-OD1 3.21Å; Y139-V146 HydrophobicContact CD1-CB 3.98Å; Y139-V146 HydrophobicContact CD1-CG2 3.78Å; Y139-V146 HydrophobicContact CE1-CB 4.24Å; Y139-V146 HydrophobicContact CE1-CG2 3.85Å; Y139-V146 HydrophobicContact CG-CG2 4.16Å
140	Q	93.6	Very high	95.2	Very high	58 Å²	58	60.7 Å²	60.7	27%	0.271	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	72.2	-176.6	-62.9	167	20.1	0	0	107.2	E142 D143 E144 K145 T147	Q140-E142 VanDerWaalsContact C-N 3.25Å; Q140-E142 PolarHBondContact O-N 3.41Å; Q140-D143 HydrophobicContact CB-CB 4.05Å; Q140-D143 CarbonylContact O-C 3.57Å; Q140-D143 WeakPolarHBondContact O-CA 3.38Å; Q140-D143 PolarHBondContact O-N 3.29Å; Q140-E144 PolarHBondContact O-N 3.22Å; Q140-K145 HydrophobicContact CB-CB 4.26Å; Q140-K145 PolarHBondContact N-O 2.8Å; Q140-K145 PolarHBondContact O-N 3.42Å; Q140-T147 PolarHBondContact NE2-OG1 2.81Å; Q140-T147 VanDerWaalsContact NE2-OG1 3.1Å
141	N	89.1	Confident	95.3	Very high	134 Å²	134	57.9 Å²	57.9	72%	0.717	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-30.6	-166.2	-62.3	15.2	0	0	0	113.6	Y139 D143 E144	Y139-N141 WeakPolarHBondContact CB-OD1 3.21Å; N141-D143 VanDerWaalsContact C-N 3.32Å; N141-E144 PolarHBondContact O-N 3.14Å
142	E	84.2	Confident	95.2	Very high	189 Å²	189	56.7 Å²	56.7	88%	0.883	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-29.1	175.3	-62.1	-179.8	171.2	0	0	112.9	Q140	Q140-E142 VanDerWaalsContact C-N 3.25Å; Q140-E142 PolarHBondContact O-N 3.41Å
143	D	86.5	Confident	95.1	Very high	28 Å²	28	57.2 Å²	57.2	15%	0.15	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-5.3	178.9	-96.2	-75.6	0	0	0	112.1	R66 Q140 N141 K145	R66-D143 IonicContact NH1-OD2 3.15Å; R66-D143 PolarHBondContact NH1-OD2 2.97Å; R66-D143 VanDerWaalsContact NH1-OD2 3.15Å; Q140-D143 HydrophobicContact CB-CB 4.05Å; Q140-D143 CarbonylContact O-C 3.57Å; Q140-D143 WeakPolarHBondContact O-CA 3.38Å; Q140-D143 PolarHBondContact O-N 3.29Å; N141-D143 VanDerWaalsContact C-N 3.32Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 HydrophobicContact CB-CB 4.4Å; D143-K145 HydrophobicContact CB-CD 3.98Å; D143-K145 HydrophobicContact CB-CG 4.36Å; D143-K145 WeakPolarHBondContact O-CE 3.47Å; D143-K145 WeakPolarHBondContact O-CG 3.27Å; D143-K145 PolarHBondContact O-N 3.46Å; D143-K145 IonicContact OD1-NZ 2.75Å; D143-K145 PolarHBondContact OD1-NZ 3.42Å
144	E	93.4	Very high	95	Very high	44 Å²	44	52.1 Å²	52.1	21%	0.206	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	45.9	-168.1	-63.3	-168.7	140.2	0	0	114.2	N113 C114 A115 Q140 N141 R202 R203	N113-E144 VanDerWaalsContact CA-O 3.24Å; N113-E144 WeakPolarHBondContact CA-O 3.36Å; N113-E144 PolarHBondContact ND2-O 3.26Å; C114-E144 PolarHBondContact N-O 3.38Å; C114-E144 CarbonylContact O-C 3.56Å; A115-E144 HydrophobicContact CB-CB 4.25Å; A115-E144 HydrophobicContact CB-CG 4.11Å; Q140-E144 PolarHBondContact O-N 3.22Å; N141-E144 PolarHBondContact O-N 3.14Å; E144-R202 VanDerWaalsContact OE2-CD 3.23Å; E144-R202 WeakPolarHBondContact OE2-CD 3.39Å; E144-R202 IonicContact OE2-CZ 3.61Å; E144-R202 IonicContact OE2-NE 2.92Å; E144-R202 IonicContact OE2-NH1 3.84Å; E144-R202 PolarHBondContact OE2-NH1 2.93Å; E144-R203 IonicContact OE1-CZ 2.7Å; E144-R203 IonicContact OE1-NH1 2.62Å; E144-R203 PolarHBondContact OE1-NH1 3.14Å; E144-R203 IonicContact OE1-NH2 2.82Å; E144-R203 PolarHBondContact OE1-NH2 2.92Å; E144-R203 IonicContact OE2-NH2 3.23Å
145	K	95.4	Very high	94.9	Very high	11 Å²	11	57.3 Å²	57.3	5%	0.048	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	156.4	-177.4	-71.6	162.9	-154.6	159.3	0	112.7	V69 L71 M112 Q140 D143	V69-K145 PolarHBondContact O-NZ 3.31Å; L71-K145 HydrophobicContact CD2-CD 4.32Å; L71-K145 HydrophobicContact CD2-CG 4.3Å; M112-K145 CarbonylContact O-C 3.52Å; M112-K145 VanDerWaalsContact O-CA 3.3Å; M112-K145 WeakPolarHBondContact O-CA 3.27Å; Q140-K145 HydrophobicContact CB-CB 4.26Å; Q140-K145 PolarHBondContact N-O 2.8Å; Q140-K145 PolarHBondContact O-N 3.42Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 HydrophobicContact CB-CB 4.4Å; D143-K145 HydrophobicContact CB-CD 3.98Å; D143-K145 HydrophobicContact CB-CG 4.36Å; D143-K145 WeakPolarHBondContact O-CE 3.47Å; D143-K145 WeakPolarHBondContact O-CG 3.27Å; D143-K145 PolarHBondContact O-N 3.46Å; D143-K145 IonicContact OD1-NZ 2.75Å; D143-K145 PolarHBondContact OD1-NZ 3.42Å
146	V	97.6	Very high	94.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.2	165.1	67.6	0	0	0	0	110.1	V111 M112 C114 I119 F137 N138 Y139 L148	V111-V146 WeakPolarHBondContact CA-O 3.34Å; M112-V146 HydrophobicContact CG-CG1 3.74Å; M112-V146 PolarHBondContact N-O 2.74Å; M112-V146 VanDerWaalsContact N-O 3.12Å; M112-V146 PolarHBondContact O-N 2.9Å; M112-V146 HydrophobicContact SD-CG1 4.33Å; C114-V146 HydrophobicContact CB-CB 3.87Å; C114-V146 HydrophobicContact CB-CG1 3.5Å; I119-V146 HydrophobicContact CD1-CG1 4.07Å; I119-V146 HydrophobicContact CD1-CG2 4.35Å; F137-V146 HydrophobicContact CB-CG2 4.05Å; N138-V146 WeakPolarHBondContact O-CA 3.22Å; Y139-V146 HydrophobicContact CD1-CB 3.98Å; Y139-V146 HydrophobicContact CD1-CG2 3.78Å; Y139-V146 HydrophobicContact CE1-CB 4.24Å; Y139-V146 HydrophobicContact CE1-CG2 3.85Å; Y139-V146 HydrophobicContact CG-CG2 4.16Å; V146-L148 HydrophobicContact CG1-CD2 4.5Å; V146-L148 HydrophobicContact CG2-CD2 4.3Å
147	T	98.1	Very high	95	Very high	8 Å²	8	59.2 Å²	59.2	5%	0.049	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	115.9	170.6	-53.2	0	0	0	0	110	Q109 I110 V111 N138 Q140	Q109-T147 HydrophobicContact CB-CG2 3.95Å; Q109-T147 HydrophobicContact CG-CG2 4.02Å; I110-T147 CarbonylContact O-C 3.44Å; I110-T147 WeakPolarHBondContact O-CA 3.43Å; V111-T147 HydrophobicContact CG2-CG2 3.99Å; N138-T147 PolarHBondContact N-O 3.41Å; N138-T147 PolarHBondContact O-N 2.87Å; Q140-T147 PolarHBondContact NE2-OG1 2.81Å; Q140-T147 VanDerWaalsContact NE2-OG1 3.1Å
148	L	98.3	Very high	95	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.8	171.7	-48.5	178.4	0	0	0	108.2	Q109 I110 M112 I119 A122 F137 V146 F150 L161 I163	Q109-L148 VanDerWaalsContact CA-O 3.28Å; Q109-L148 WeakPolarHBondContact CA-O 3.49Å; I110-L148 HydrophobicContact CB-CB 4.43Å; I110-L148 PolarHBondContact N-O 2.85Å; I110-L148 PolarHBondContact O-N 2.85Å; M112-L148 HydrophobicContact SD-CD1 4.21Å; I119-L148 HydrophobicContact CD1-CD2 4Å; A122-L148 HydrophobicContact CB-CD1 4.22Å; A122-L148 HydrophobicContact CB-CD2 4.38Å; F137-L148 HydrophobicContact CB-CD2 4.47Å; F137-L148 HydrophobicContact CD1-CD2 3.53Å; F137-L148 HydrophobicContact CE1-CD2 4.17Å; F137-L148 HydrophobicContact CG-CD2 4.26Å; V146-L148 HydrophobicContact CG1-CD2 4.5Å; V146-L148 HydrophobicContact CG2-CD2 4.3Å; L148-F150 HydrophobicContact CB-CE2 4.01Å; L148-F150 HydrophobicContact CB-CZ 4.42Å; L148-L161 HydrophobicContact CD1-CD1 3.99Å; L148-L161 HydrophobicContact CD1-CD2 4.33Å; L148-I163 HydrophobicContact CD1-CD1 3.96Å
149	S	98.1	Very high	95	Very high	27 Å²	27	54.3 Å²	54.3	19%	0.189	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	143.8	178.2	-65.4	0	0	0	0	111.8	Q109 A134 T135 G136	Q109-S149 PolarHBondContact NE2-OG 2.72Å; A134-S149 CarbonylContact C-O 3.43Å; A134-S149 WeakPolarHBondContact CA-O 3.13Å; A134-S149 WeakPolarHBondContact CB-O 3.36Å; T135-S149 PolarHBondContact N-O 3.33Å; T135-S149 PolarHBondContact OG1-O 3.47Å; G136-S149 PolarHBondContact O-N 2.74Å
150	F	97.9	Very high	95.1	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	152.6	-179.2	-67.4	-87.7	0	0	0	111.5	N108 I110 F124 I132 A134 L148 S152 L154 L161	N108-F150 PolarHBondContact O-N 2.88Å; I110-F150 HydrophobicContact CB-CE2 4.27Å; I110-F150 HydrophobicContact CD1-CE2 3.8Å; I110-F150 HydrophobicContact CD1-CZ 4.09Å; I110-F150 HydrophobicContact CG1-CE2 3.83Å; F124-F150 HydrophobicContact CB-CD1 4.42Å; F124-F150 HydrophobicContact CB-CE1 3.67Å; F124-F150 HydrophobicContact CB-CZ 4.03Å; I132-F150 HydrophobicContact CG2-CD1 4.09Å; A134-F150 HydrophobicContact CB-CD1 4.49Å; A134-F150 HydrophobicContact CB-CE1 4.17Å; A134-F150 HydrophobicContact CB-CZ 4.41Å; L148-F150 HydrophobicContact CB-CE2 4.01Å; L148-F150 HydrophobicContact CB-CZ 4.42Å; F150-S152 PolarHBondContact O-N 2.74Å; F150-L154 HydrophobicContact CB-CD2 4.17Å; F150-L154 HydrophobicContact CD1-CD2 4.14Å; F150-L154 HydrophobicContact CD2-CD1 3.98Å; F150-L154 HydrophobicContact CD2-CG 4.39Å; F150-L154 HydrophobicContact CE2-CD1 4.09Å; F150-L154 HydrophobicContact CG-CD1 4.28Å; F150-L154 HydrophobicContact CG-CD2 4.01Å; F150-L154 HydrophobicContact CG-CG 4.34Å; F150-L154 HydrophobicContact CZ-CD1 4.47Å; F150-L161 HydrophobicContact CZ-CD1 4.34Å
151	P	96.7	Very high	95.3	Very high	89 Å²	89	49.8 Å²	49.8	58%	0.578	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	-14	-174.9	30.5	-35.6	0	0	0	113.6	I132 N133 T135	I132-P151 HydrophobicContact CG2-CG 3.84Å; N133-P151 WeakPolarHBondContact O-CD 3.4Å; T135-P151 HydrophobicContact CG2-CB 3.81Å; T135-P151 HydrophobicContact CG2-CG 4.33Å
152	S	93.8	Very high	95.8	Very high	64 Å²	64	46.1 Å²	46.1	45%	0.448	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	167.3	177.9	59.4	0	0	0	0	109.8	F150 L154	F150-S152 PolarHBondContact O-N 2.74Å; S152-L154 PolarHBondContact O-N 2.73Å
153	S	95.7	Very high	96.5	Very high	48 Å²	48	37.1 Å²	37.1	34%	0.336	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	120.3	174.6	170.5	0	0	0	0	110.5	T107 Q155	T107-S153 PolarHBondContact N-OG 3.38Å; T107-S153 CarbonylContact O-C 3.48Å; T107-S153 WeakPolarHBondContact O-CA 3.42Å; S153-Q155 PolarHBondContact O-N 3.4Å; S153-Q155 PolarHBondContact O-NE2 2.88Å; S153-Q155 PolarHBondContact OG-NE2 3.22Å
154	L	95.9	Very high	97	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	124.5	164.1	-48.3	-172.9	0	0	0	108	V103 A106 T107 I110 F124 I132 F150 S152	V103-L154 HydrophobicContact CG2-CB 4.41Å; A106-L154 VanDerWaalsContact CA-O 3.32Å; A106-L154 WeakPolarHBondContact CA-O 3.45Å; T107-L154 PolarHBondContact N-O 2.92Å; T107-L154 WeakPolarHBondContact O-CA 3.46Å; T107-L154 WeakPolarHBondContact O-CB 3.41Å; T107-L154 PolarHBondContact O-N 2.96Å; I110-L154 HydrophobicContact CD1-CD1 3.89Å; I110-L154 HydrophobicContact CG1-CD1 4.14Å; F124-L154 HydrophobicContact CB-CD1 4.37Å; F124-L154 HydrophobicContact CB-CD2 4.45Å; F124-L154 HydrophobicContact CD1-CD1 3.96Å; F124-L154 HydrophobicContact CD1-CD2 3.69Å; F124-L154 HydrophobicContact CD1-CG 4.28Å; F124-L154 HydrophobicContact CD2-CD1 4.47Å; F124-L154 HydrophobicContact CE1-CB 4.38Å; F124-L154 HydrophobicContact CE1-CD1 4.31Å; F124-L154 HydrophobicContact CE1-CD2 4.27Å; F124-L154 HydrophobicContact CG-CD1 4.01Å; F124-L154 HydrophobicContact CG-CD2 4.31Å; I132-L154 HydrophobicContact CD1-CD2 4.03Å; F150-L154 HydrophobicContact CB-CD2 4.17Å; F150-L154 HydrophobicContact CD1-CD2 4.14Å; F150-L154 HydrophobicContact CD2-CD1 3.98Å; F150-L154 HydrophobicContact CD2-CG 4.39Å; F150-L154 HydrophobicContact CE2-CD1 4.09Å; F150-L154 HydrophobicContact CG-CD1 4.28Å; F150-L154 HydrophobicContact CG-CD2 4.01Å; F150-L154 HydrophobicContact CG-CG 4.34Å; F150-L154 HydrophobicContact CZ-CD1 4.47Å; S152-L154 PolarHBondContact O-N 2.73Å
155	Q	95.6	Very high	97.3	Very high	133 Å²	133	37.3 Å²	37.3	62%	0.621	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-84.5	155.2	-177.4	-61.9	-55	-68.4	0	0	111.1	S153 G157	S153-Q155 PolarHBondContact O-N 3.4Å; S153-Q155 PolarHBondContact O-NE2 2.88Å; S153-Q155 PolarHBondContact OG-NE2 3.22Å; Q155-G157 PolarHBondContact O-N 3.37Å
156	K	97.1	Very high	97.5	Very high	146 Å²	146	39 Å²	39	64%	0.635	22%	0.221	S	C	*	.	S	Bend	trans	-56.2	129.5	179	-170.7	-178.8	-178.2	124.4	0	111.1	V103 I104	V103-K156 WeakPolarHBondContact O-CA 3.24Å; V103-K156 WeakPolarHBondContact O-CG 3.38Å; I104-K156 WeakPolarHBondContact O-CD 3.27Å; I104-K156 WeakPolarHBondContact O-CE 3.22Å; I104-K156 PolarHBondContact O-NZ 3.46Å
157	G	96.6	Very high	97.5	Very high	22 Å²	22	39.3 Å²	39.3	23%	0.227	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140	179.5	-178.7	0	0	0	0	0	113.5	E102 V103 Q155	E102-G157 VanDerWaalsContact CD-C 3.5Å; E102-G157 VanDerWaalsContact OE1-C 3.3Å; E102-G157 WeakPolarHBondContact OE1-CA 3.17Å; V103-G157 WeakPolarHBondContact CB-O 3.27Å; V103-G157 PolarHBondContact N-O 3.26Å; V103-G157 PolarHBondContact O-N 3.4Å; Q155-G157 PolarHBondContact O-N 3.37Å
158	S	97.1	Very high	97.4	Very high	47 Å²	47	43 Å²	43	33%	0.329	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	148.6	-178.6	-28.6	0	0	0	0	113	V101 E102 K127	V101-S158 WeakPolarHBondContact O-CA 3.15Å; E102-S158 WeakPolarHBondContact OE2-CA 3.29Å; E102-S158 WeakPolarHBondContact OE2-CB 3.24Å; E102-S158 PolarHBondContact OE2-N 2.94Å; E102-S158 VanDerWaalsContact OE2-N 3.12Å; E102-S158 PolarHBondContact OE2-OG 2.94Å; K127-S158 WeakPolarHBondContact CB-O 3.34Å; K127-S158 PolarHBondContact N-O 3.26Å
159	G	97.5	Very high	97.4	Very high	6 Å²	6	43 Å²	43	6%	0.062	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	-178.3	166.8	0	0	0	0	0	112.8	V101 V125	V101-G159 PolarHBondContact N-O 2.76Å; V101-G159 PolarHBondContact O-N 3.41Å; V125-G159 CarbonylContact O-C 3.5Å; V125-G159 WeakPolarHBondContact O-CA 3.5Å
160	T	98.4	Very high	97.1	Very high	42 Å²	42	42 Å²	42	26%	0.258	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.6	176.4	-52.8	0	0	0	0	109.7	E98 A99 F124 V125 K162	E98-T160 HydrophobicContact CB-CG2 4.05Å; A99-T160 CarbonylContact O-C 3.58Å; A99-T160 VanDerWaalsContact O-CA 3.32Å; A99-T160 WeakPolarHBondContact O-CA 3.45Å; F124-T160 WeakPolarHBondContact CA-O 3.31Å; V125-T160 PolarHBondContact N-O 3.37Å; V125-T160 PolarHBondContact O-N 2.85Å; T160-K162 HydrophobicContact CG2-CG 4.32Å
161	L	98.6	Very high	96.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	116.9	167.9	172.2	61.7	0	0	0	108.4	A99 V101 I110 M112 S123 F124 L148 F150 I163 W208	A99-L161 HydrophobicContact CB-CB 4.38Å; A99-L161 PolarHBondContact N-O 2.98Å; A99-L161 PolarHBondContact O-N 2.97Å; V101-L161 HydrophobicContact CG1-CB 4.35Å; V101-L161 HydrophobicContact CG2-CB 4.44Å; I110-L161 HydrophobicContact CD1-CD1 4.17Å; I110-L161 HydrophobicContact CD1-CD2 4.08Å; I110-L161 HydrophobicContact CG2-CD2 4.2Å; M112-L161 HydrophobicContact CE-CD2 3.57Å; S123-L161 WeakPolarHBondContact O-CA 3.34Å; S123-L161 WeakPolarHBondContact O-CD1 3.26Å; F124-L161 HydrophobicContact CD2-CB 4.41Å; L148-L161 HydrophobicContact CD1-CD1 3.99Å; L148-L161 HydrophobicContact CD1-CD2 4.33Å; F150-L161 HydrophobicContact CZ-CD1 4.34Å; L161-I163 HydrophobicContact CD1-CG1 4.27Å; L161-I163 HydrophobicContact CD2-CD1 4.28Å; L161-I163 HydrophobicContact CG-CD1 4.33Å; L161-I163 HydrophobicContact CG-CG1 4.16Å; L161-W208 HydrophobicContact CD2-CH2 3.89Å; L161-W208 HydrophobicContact CD2-CZ3 4.31Å
162	K	98.8	Very high	96.4	Very high	56 Å²	56	46.2 Å²	46.2	24%	0.243	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.2	172.8	-52.7	-175.9	-167.8	153.7	0	110.2	L97 E98 A122 S123 E131 T160	L97-K162 CarbonylContact O-C 3.54Å; L97-K162 VanDerWaalsContact O-CA 3.24Å; L97-K162 WeakPolarHBondContact O-CA 3.38Å; E98-K162 HydrophobicContact CG-CG 4.17Å; E98-K162 WeakPolarHBondContact OE1-CD 3.49Å; E98-K162 WeakPolarHBondContact OE1-CE 3.5Å; A122-K162 CarbonylContact C-O 3.36Å; A122-K162 VanDerWaalsContact CA-O 3.22Å; A122-K162 WeakPolarHBondContact CA-O 3.43Å; S123-K162 PolarHBondContact N-O 3.03Å; S123-K162 PolarHBondContact O-N 3.47Å; E131-K162 WeakPolarHBondContact OE1-CD 3.43Å; E131-K162 IonicContact OE1-NZ 4Å; E131-K162 PolarHBondContact OE1-NZ 2.71Å; E131-K162 IonicContact OE2-NZ 3.33Å; E131-K162 PolarHBondContact OE2-NZ 2.9Å; T160-K162 HydrophobicContact CG2-CG 4.32Å
163	I	98.8	Very high	96.4	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	129.7	173.5	-48.5	-175.8	0	0	0	109	K96 L97 M112 I119 T121 A122 L148 L161 F165 P206	K96-I163 WeakPolarHBondContact CA-O 3.44Å; L97-I163 HydrophobicContact CB-CB 4.35Å; L97-I163 HydrophobicContact CD2-CD1 4.26Å; L97-I163 PolarHBondContact N-O 2.99Å; L97-I163 PolarHBondContact O-N 2.7Å; M112-I163 HydrophobicContact CE-CD1 4.09Å; M112-I163 HydrophobicContact SD-CD1 3.74Å; I119-I163 HydrophobicContact CB-CG2 4.39Å; I119-I163 HydrophobicContact CD1-CG2 4.16Å; I119-I163 HydrophobicContact CG1-CG2 4.06Å; I119-I163 HydrophobicContact CG2-CG2 3.58Å; T121-I163 WeakPolarHBondContact O-CA 3.38Å; T121-I163 WeakPolarHBondContact O-CG2 3.38Å; A122-I163 HydrophobicContact CB-CG1 4.16Å; A122-I163 HydrophobicContact CB-CG2 4.45Å; L148-I163 HydrophobicContact CD1-CD1 3.96Å; L161-I163 HydrophobicContact CD1-CG1 4.27Å; L161-I163 HydrophobicContact CD2-CD1 4.28Å; L161-I163 HydrophobicContact CG-CD1 4.33Å; L161-I163 HydrophobicContact CG-CG1 4.16Å; I163-F165 HydrophobicContact CG2-CD1 4.12Å; I163-P206 HydrophobicContact CD1-CB 4.14Å; I163-P206 HydrophobicContact CD1-CG 4.49Å
164	E	98.8	Very high	96.2	Very high	71 Å²	71	42.8 Å²	42.8	33%	0.332	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.2	165.4	-57.8	-174	138.4	0	0	109	G95 K96 I120 T121	G95-E164 WeakPolarHBondContact O-CA 3.39Å; K96-E164 HydrophobicContact CD-CG 4.3Å; K96-E164 VanDerWaalsContact CE-OE1 3.29Å; K96-E164 WeakPolarHBondContact CE-OE1 3.42Å; K96-E164 HydrophobicContact CG-CG 4.28Å; K96-E164 IonicContact NZ-OE1 2.86Å; K96-E164 PolarHBondContact NZ-OE1 3.47Å; I120-E164 WeakPolarHBondContact CA-O 3.37Å; I120-E164 PolarHBondContact N-O 3.03Å; T121-E164 PolarHBondContact N-O 3.33Å; T121-E164 VanDerWaalsContact N-O 3.14Å; T121-E164 PolarHBondContact O-N 3.15Å; T121-E164 WeakPolarHBondContact OG1-CB 3.34Å; T121-E164 WeakPolarHBondContact OG1-CG 3.47Å; T121-E164 PolarHBondContact OG1-OE2 3.35Å
165	F	98.8	Very high	96.2	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	167.7	-170.5	62.6	-88.5	0	0	0	112.4	L84 F93 G95 L97 I117 D118 I119 I163 A204 F205	L84-F165 HydrophobicContact CD2-CE2 4.43Å; L84-F165 HydrophobicContact CD2-CZ 4.06Å; F93-F165 HydrophobicContact CE2-CE2 4.1Å; G95-F165 PolarHBondContact N-O 2.88Å; G95-F165 WeakPolarHBondContact O-CD1 3.34Å; G95-F165 PolarHBondContact O-N 2.85Å; L97-F165 HydrophobicContact CB-CE1 4.1Å; I117-F165 HydrophobicContact CD1-CD2 4.03Å; I117-F165 HydrophobicContact CD1-CE2 4.18Å; I117-F165 HydrophobicContact CG2-CB 3.86Å; I117-F165 HydrophobicContact CG2-CD2 3.65Å; I117-F165 HydrophobicContact CG2-CG 4.01Å; D118-F165 CarbonylContact O-C 3.48Å; D118-F165 WeakPolarHBondContact O-CA 3.44Å; D118-F165 WeakPolarHBondContact O-CB 3.49Å; I119-F165 HydrophobicContact CG1-CB 4.39Å; I163-F165 HydrophobicContact CG2-CD1 4.12Å; F165-A204 WeakPolarHBondContact CE2-O 3.41Å; F165-F205 HydrophobicContact CE1-CB 4.35Å; F165-F205 HydrophobicContact CE2-CB 4.26Å; F165-F205 HydrophobicContact CZ-CB 3.64Å
166	V	98.6	Very high	96.3	Very high	47 Å²	47	36.3 Å²	36.3	29%	0.285	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.6	175	179.3	0	0	0	0	109.4	F93 D118 I120	F93-V166 WeakPolarHBondContact O-CA 3.43Å; D118-V166 PolarHBondContact N-O 2.8Å; D118-V166 PolarHBondContact O-N 2.82Å; I120-V166 HydrophobicContact CD1-CG2 4.28Å; I120-V166 HydrophobicContact CG1-CG2 4.19Å
167	G	97.9	Very high	96.3	Very high	6 Å²	6	29.4 Å²	29.4	6%	0.062	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	168.9	174.6	0	0	0	0	0	114.2	T92 F93	T92-G167 CarbonylContact C-O 3.51Å; T92-G167 VanDerWaalsContact CA-O 3.23Å; T92-G167 WeakPolarHBondContact CA-O 3.49Å; F93-G167 WeakPolarHBondContact CD1-O 3.47Å; F93-G167 VanDerWaalsContact CE1-C 3.42Å; F93-G167 PolarHBondContact N-O 3.22Å; F93-G167 PolarHBondContact O-N 3.19Å; F93-G167 VanDerWaalsContact O-N 3.12Å
168	E	96.3	Very high	96.3	Very high	87 Å²	87	30.4 Å²	30.4	41%	0.407	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.9	175.9	-164.4	-154.3	153.3	0	0	111.7	N170 R178	E168-N170 PolarHBondContact O-N 3.43Å; E168-N170 WeakPolarHBondContact OE1-CA 3.5Å; E168-R178 IonicContact OE1-CZ 2.69Å; E168-R178 IonicContact OE1-NH1 3.45Å; E168-R178 PolarHBondContact OE1-NH1 3.29Å; E168-R178 IonicContact OE1-NH2 2.67Å
169	L	97.6	Very high	96.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.			trans	-75.1	70.2	162.1	-65.8	178.5	0	0	0	110	P86 L88 F91 F93 F176 R178 A192	P86-L169 HydrophobicContact CB-CD1 4.12Å; L88-L169 HydrophobicContact CD2-CD1 4.11Å; F91-L169 HydrophobicContact CB-CB 4.22Å; F91-L169 PolarHBondContact O-N 3.02Å; F93-L169 HydrophobicContact CD1-CD2 3.92Å; F93-L169 HydrophobicContact CD1-CG 4.11Å; F93-L169 HydrophobicContact CE1-CD2 4.38Å; L169-F176 HydrophobicContact CD2-CB 4.34Å; L169-F176 HydrophobicContact CD2-CD1 3.48Å; L169-F176 VanDerWaalsContact CD2-CD1 3.48Å; L169-F176 HydrophobicContact CD2-CD2 3.82Å; L169-F176 HydrophobicContact CD2-CE1 3.64Å; L169-F176 HydrophobicContact CD2-CE2 3.98Å; L169-F176 HydrophobicContact CD2-CG 3.57Å; L169-F176 HydrophobicContact CD2-CZ 3.89Å; L169-R178 HydrophobicContact CB-CB 4.3Å; L169-R178 WeakPolarHBondContact O-CB 3.35Å; L169-R178 WeakPolarHBondContact O-CD 3.34Å; L169-R178 VanDerWaalsContact O-CG 3.25Å; L169-R178 WeakPolarHBondContact O-CG 3.42Å; L169-R178 PolarHBondContact O-NH1 3.24Å; L169-A192 HydrophobicContact CD1-CB 3.91Å; L169-A192 HydrophobicContact CD2-CB 3.9Å
170	N	93.9	Very high	96	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.032	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-57	169.6	-178.5	78	89.8	0	0	0	113.6	E168 K172 K174 F176 Y177 R178	E168-N170 PolarHBondContact O-N 3.43Å; E168-N170 WeakPolarHBondContact OE1-CA 3.5Å; N170-K172 WeakPolarHBondContact OD1-CA 3.15Å; N170-K172 VanDerWaalsContact OD1-CB 3.22Å; N170-K172 WeakPolarHBondContact OD1-CB 3.46Å; N170-K172 PolarHBondContact OD1-N 2.79Å; N170-K174 PolarHBondContact ND2-O 2.89Å; N170-K174 PolarHBondContact OD1-O 3.25Å; N170-F176 PolarHBondContact ND2-O 3.21Å; N170-Y177 CarbonylContact O-C 3.38Å; N170-Y177 WeakPolarHBondContact O-CA 3.46Å; N170-Y177 WeakPolarHBondContact O-CB 3.48Å; N170-R178 WeakPolarHBondContact O-CG 3.46Å; N170-R178 PolarHBondContact O-N 2.91Å
171	D	90.8	Very high	95.6	Very high	101 Å²	101	31.9 Å²	31.9	54%	0.54	15%	0.15	S	C	.	.	S	Bend	trans	-111.2	19	177.8	47.5	16.4	0	0	0	114.8	M173 R178	D171-M173 VanDerWaalsContact C-N 3.29Å; D171-M173 PolarHBondContact O-N 2.62Å; D171-R178 HydrophobicContact CB-CG 4.16Å; D171-R178 IonicContact OD1-NH2 3.5Å; D171-R178 IonicContact OD2-CZ 3.41Å; D171-R178 IonicContact OD2-NE 3.95Å; D171-R178 IonicContact OD2-NH2 2.75Å; D171-R178 PolarHBondContact OD2-NH2 3.33Å
172	K	88.3	Confident	95	Very high	82 Å²	82	36.6 Å²	36.6	36%	0.357	18%	0.179	S	C	.	.	S	Bend	trans	-86.5	6.6	-177.3	-50	164.1	-169.7	161.1	0	113.4	D116 N170 K174	D116-K172 IonicContact OD2-NZ 2.64Å; N170-K172 WeakPolarHBondContact OD1-CA 3.15Å; N170-K172 VanDerWaalsContact OD1-CB 3.22Å; N170-K172 WeakPolarHBondContact OD1-CB 3.46Å; N170-K172 PolarHBondContact OD1-N 2.79Å; K172-K174 VanDerWaalsContact C-N 3.26Å; K172-K174 HydrophobicContact CB-CG 4.33Å; K172-K174 PolarHBondContact O-N 3.37Å
173	M	92.7	Very high	94.4	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.049	18%	0.176	C	C	.	.	S	Bend	trans	57.4	28.8	-176.3	-61	172.3	-75.1	0	0	115.1	D171 Y177 D329 A331 Q824 L864	D171-M173 VanDerWaalsContact C-N 3.29Å; D171-M173 PolarHBondContact O-N 2.62Å; M173-Y177 HydrophobicContact CB-CE2 4.35Å; M173-Y177 HydrophobicContact CG-CE2 4.36Å; M173-D329 HydrophobicContact CG-CB 4.19Å; M173-D329 HydrophobicContact SD-CB 4.17Å; M173-A331 HydrophobicContact CB-CB 4.03Å; M173-A331 HydrophobicContact CE-CB 4.44Å; M173-A331 HydrophobicContact SD-CB 4.42Å; M173-Q824 HydrophobicContact CE-CB 4.15Å; M173-Q824 HydrophobicContact SD-CB 3.9Å; M173-Q824 HydrophobicContact SD-CG 4.48Å; M173-L864 HydrophobicContact CE-CD1 4.05Å
174	K	92.2	Very high	93.5	Very high	29 Å²	29	41 Å²	41	13%	0.126	22%	0.223	C	C	.	.	S	Bend	trans	-147.3	160.5	177	70.7	-173	-171.5	175.7	0	112.6	N170 K172 D200 Q860 G861	N170-K174 PolarHBondContact ND2-O 2.89Å; N170-K174 PolarHBondContact OD1-O 3.25Å; K172-K174 VanDerWaalsContact C-N 3.26Å; K172-K174 HydrophobicContact CB-CG 4.33Å; K172-K174 PolarHBondContact O-N 3.37Å; K174-D200 HydrophobicContact CB-CB 4.33Å; K174-Q860 PolarHBondContact NZ-O 2.74Å; K174-Q860 VanDerWaalsContact NZ-O 3.08Å; K174-G861 PolarHBondContact NZ-O 3.22Å
175	G	95.9	Very high	92.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.4	-143.9	-168.4	0	0	0	0	0	110.5	T194 Q195 F196 D200	G175-T194 WeakPolarHBondContact O-CA 3.34Å; G175-Q195 PolarHBondContact N-O 3.09Å; G175-Q195 PolarHBondContact O-N 3.44Å; G175-F196 WeakPolarHBondContact O-CE1 3.27Å; G175-D200 WeakPolarHBondContact CA-O 3.43Å
176	F	97.9	Very high	92.1	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.7	166.2	-169.7	-154.8	0	0	0	108.1	P86 F93 L169 N170 A192 T194 A204 F265 I267	P86-F176 HydrophobicContact CB-CE1 4Å; P86-F176 HydrophobicContact CB-CZ 3.89Å; P86-F176 HydrophobicContact CG-CZ 4.14Å; F93-F176 HydrophobicContact CB-CD1 4.49Å; F93-F176 HydrophobicContact CB-CE1 4.15Å; F93-F176 AromaticContact CD1-CD1 3.6Å; F93-F176 HydrophobicContact CD1-CD1 3.6Å; F93-F176 HydrophobicContact CD1-CE1 4.08Å; F93-F176 AromaticContact CD2-CD1 3.98Å; F93-F176 HydrophobicContact CD2-CD1 3.98Å; F93-F176 HydrophobicContact CD2-CE1 4.23Å; F93-F176 HydrophobicContact CE1-CB 4.16Å; F93-F176 AromaticContact CE1-CD1 3.62Å; F93-F176 HydrophobicContact CE1-CD1 3.62Å; F93-F176 HydrophobicContact CE1-CG 4.32Å; F93-F176 AromaticContact CE2-CD1 3.99Å; F93-F176 HydrophobicContact CE2-CD1 3.99Å; F93-F176 AromaticContact CG-CD1 3.78Å; F93-F176 HydrophobicContact CG-CD1 3.78Å; F93-F176 AromaticContact CG-CE1 3.92Å; F93-F176 HydrophobicContact CG-CE1 3.92Å; F93-F176 HydrophobicContact CZ-CB 4.23Å; F93-F176 AromaticContact CZ-CD1 3.81Å; F93-F176 HydrophobicContact CZ-CD1 3.81Å; L169-F176 HydrophobicContact CD2-CB 4.34Å; L169-F176 HydrophobicContact CD2-CD1 3.48Å; L169-F176 VanDerWaalsContact CD2-CD1 3.48Å; L169-F176 HydrophobicContact CD2-CD2 3.82Å; L169-F176 HydrophobicContact CD2-CE1 3.64Å; L169-F176 HydrophobicContact CD2-CE2 3.98Å; L169-F176 HydrophobicContact CD2-CG 3.57Å; L169-F176 HydrophobicContact CD2-CZ 3.89Å; N170-F176 PolarHBondContact ND2-O 3.21Å; F176-A192 HydrophobicContact CD2-CB 4.34Å; F176-A192 HydrophobicContact CE2-CB 3.5Å; F176-A192 HydrophobicContact CZ-CB 3.77Å; F176-T194 HydrophobicContact CD2-CG2 4.01Å; F176-A204 HydrophobicContact CB-CB 3.92Å; F176-F265 HydrophobicContact CB-CE2 4.5Å; F176-F265 AromaticContact CD1-CE2 3.86Å; F176-F265 HydrophobicContact CD1-CE2 3.86Å; F176-F265 AromaticContact CD2-CD2 3.98Å; F176-F265 HydrophobicContact CD2-CD2 3.98Å; F176-F265 AromaticContact CD2-CE2 3.57Å; F176-F265 HydrophobicContact CD2-CE2 3.57Å; F176-F265 HydrophobicContact CE1-CD2 4.41Å; F176-F265 AromaticContact CE1-CE2 3.83Å; F176-F265 HydrophobicContact CE1-CE2 3.83Å; F176-F265 AromaticContact CE2-CD2 3.55Å; F176-F265 HydrophobicContact CE2-CD2 3.55Å; F176-F265 AromaticContact CE2-CE2 3.52Å; F176-F265 HydrophobicContact CE2-CE2 3.52Å; F176-F265 AromaticContact CG-CE2 3.75Å; F176-F265 HydrophobicContact CG-CE2 3.75Å; F176-F265 AromaticContact CZ-CD2 3.8Å; F176-F265 HydrophobicContact CZ-CD2 3.8Å; F176-F265 AromaticContact CZ-CE2 3.66Å; F176-F265 HydrophobicContact CZ-CE2 3.66Å; F176-I267 HydrophobicContact CE2-CD1 4Å; F176-I267 HydrophobicContact CZ-CD1 3.84Å
177	Y	97.3	Very high	91.7	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159.5	-164.2	70.9	-92.7	0	0	0	112.8	N170 M173 A192 V193 Q195 D329 F330	N170-Y177 CarbonylContact O-C 3.38Å; N170-Y177 WeakPolarHBondContact O-CA 3.46Å; N170-Y177 WeakPolarHBondContact O-CB 3.48Å; M173-Y177 HydrophobicContact CB-CE2 4.35Å; M173-Y177 HydrophobicContact CG-CE2 4.36Å; Y177-A192 WeakPolarHBondContact O-CA 3.45Å; Y177-V193 WeakPolarHBondContact CD1-O 3.35Å; Y177-V193 HydrophobicContact CE1-CB 3.98Å; Y177-V193 HydrophobicContact CE1-CG1 3.98Å; Y177-V193 WeakPolarHBondContact CE1-O 3.43Å; Y177-V193 HydrophobicContact CE2-CB 3.99Å; Y177-V193 HydrophobicContact CE2-CG1 4.39Å; Y177-V193 PolarHBondContact N-O 3.24Å; Y177-V193 PolarHBondContact O-N 3.05Å; Y177-V193 WeakPolarHBondContact OH-CG1 3.48Å; Y177-Q195 HydrophobicContact CE1-CB 3.8Å; Y177-D329 WeakPolarHBondContact CE2-O 3.41Å; Y177-D329 PolarHBondContact OH-O 3.01Å; Y177-F330 WeakPolarHBondContact OH-CD2 3.28Å
178	R	96.6	Very high	91.4	Very high	43 Å²	43	49.7 Å²	49.7	16%	0.162	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.3	174.5	67.5	-166.4	166.4	-113.5	2.9	110.8	F91 E168 L169 N170 D171 Y190 A191	F91-R178 HydrophobicContact CD1-CB 4.18Å; F91-R178 HydrophobicContact CE1-CB 4.47Å; E168-R178 IonicContact OE1-CZ 2.69Å; E168-R178 IonicContact OE1-NH1 3.45Å; E168-R178 PolarHBondContact OE1-NH1 3.29Å; E168-R178 IonicContact OE1-NH2 2.67Å; L169-R178 HydrophobicContact CB-CB 4.3Å; L169-R178 WeakPolarHBondContact O-CB 3.35Å; L169-R178 WeakPolarHBondContact O-CD 3.34Å; L169-R178 VanDerWaalsContact O-CG 3.25Å; L169-R178 WeakPolarHBondContact O-CG 3.42Å; L169-R178 PolarHBondContact O-NH1 3.24Å; N170-R178 WeakPolarHBondContact O-CG 3.46Å; N170-R178 PolarHBondContact O-N 2.91Å; D171-R178 HydrophobicContact CB-CG 4.16Å; D171-R178 IonicContact OD1-NH2 3.5Å; D171-R178 IonicContact OD2-CZ 3.41Å; D171-R178 IonicContact OD2-NE 3.95Å; D171-R178 IonicContact OD2-NH2 2.75Å; D171-R178 PolarHBondContact OD2-NH2 3.33Å; R178-Y190 HydrophobicContact CB-CD1 4.39Å; R178-A191 WeakPolarHBondContact CA-O 3.36Å
179	S	95.5	Very high	91.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.007	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	138.1	165.7	177.7	0	0	0	0	110.2	Y190 A191 D329	S179-Y190 CarbonylContact O-C 3.51Å; S179-Y190 VanDerWaalsContact O-CA 3.28Å; S179-Y190 WeakPolarHBondContact O-CA 3.41Å; S179-A191 PolarHBondContact N-O 2.67Å; S179-A191 PolarHBondContact O-N 3.01Å; S179-D329 WeakPolarHBondContact CA-OD2 3.48Å; S179-D329 WeakPolarHBondContact OG-CB 3.48Å; S179-D329 PolarHBondContact OG-N 3.25Å; S179-D329 PolarHBondContact OG-OD2 3.43Å
180	K	92.9	Very high	91.1	Very high	88 Å²	88	53 Å²	53	38%	0.383	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120	-171	175	-172.1	174.2	-173	0	109.2	T188 Y190 D329 E819	K180-T188 HydrophobicContact CG-CG2 3.9Å; K180-Y190 HydrophobicContact CB-CD1 4.21Å; K180-Y190 HydrophobicContact CB-CE1 3.9Å; K180-Y190 HydrophobicContact CG-CE1 4.1Å; K180-D329 PolarHBondContact N-OD2 2.8Å; K180-E819 IonicContact NZ-OE2 2.81Å; K180-E819 PolarHBondContact NZ-OE2 3.24Å
181	Y	89.9	Confident	91.3	Very high	37 Å²	37	52.7 Å²	52.7	15%	0.145	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.6	175.7	60	-85.1	0	0	0	111.9	T183 T188 R189 Y190 A191 E269	Y181-T183 HydrophobicContact CE2-CG2 4.48Å; Y181-T188 WeakPolarHBondContact O-CA 3.18Å; Y181-R189 HydrophobicContact CD2-CB 4.26Å; Y181-R189 HydrophobicContact CE1-CB 4.24Å; Y181-R189 HydrophobicContact CE2-CB 3.62Å; Y181-R189 PolarHBondContact N-O 2.7Å; Y181-R189 PolarHBondContact O-N 3Å; Y181-Y190 VanDerWaalsContact CE1-C 3.43Å; Y181-Y190 PolarHBondContact OH-O 3.46Å; Y181-A191 HydrophobicContact CE1-CB 3.97Å; Y181-E269 HydrophobicContact CE2-CB 4.47Å; Y181-E269 WeakPolarHBondContact OH-CB 3.21Å; Y181-E269 WeakPolarHBondContact OH-CG 3.33Å
182	T	86.5	Confident	91.7	Very high	99 Å²	99	47.9 Å²	47.9	61%	0.607	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	130	175	-47.4	0	0	0	0	109.3	E187	T182-E187 CarbonylContact C-O 3.59Å; T182-E187 WeakPolarHBondContact CA-O 3.33Å
183	T	85.3	Confident	92.1	Very high	29 Å²	29	44 Å²	44	18%	0.178	26%	0.259	C	S	.	.			trans	-74.4	166.1	174.8	69.3	0	0	0	0	111.8	Y181 A185 G186 E187 R189	Y181-T183 HydrophobicContact CE2-CG2 4.48Å; T183-A185 PolarHBondContact O-N 3.44Å; T183-A185 PolarHBondContact OG1-N 3.23Å; T183-G186 PolarHBondContact O-N 3.23Å; T183-E187 HydrophobicContact CG2-CB 4.39Å; T183-E187 PolarHBondContact N-O 2.88Å; T183-E187 WeakPolarHBondContact OG1-CB 3.47Å; T183-E187 PolarHBondContact OG1-N 2.97Å; T183-R189 HydrophobicContact CG2-CB 4.48Å; T183-R189 VanDerWaalsContact CG2-CD 3.48Å; T183-R189 HydrophobicContact CG2-CG 3.87Å
184	A	80	Confident	92.4	Very high	119 Å²	119	43.5 Å²	43.5	98%	0.983	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-14.5	171.5	0	0	0	0	0	114.2
185	A	84.1	Confident	92.6	Very high	83 Å²	83	42.8 Å²	42.8	69%	0.686	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.1	172.9	0	0	0	0	0	113.6	T183 E187	T183-A185 PolarHBondContact O-N 3.44Å; T183-A185 PolarHBondContact OG1-N 3.23Å; A185-E187 HydrophobicContact CB-CG 4.35Å
186	G	83.8	Confident	92.7	Very high	56 Å²	56	42.8 Å²	42.8	58%	0.577	25%	0.253	S	S	*	.	S	Bend	trans	86.2	8.8	-175.5	0	0	0	0	0	114.6	T183	T183-G186 PolarHBondContact O-N 3.23Å
187	E	90.1	Very high	92.5	Very high	94 Å²	94	43.5 Å²	43.5	44%	0.439	26%	0.257	S	S	.	.			trans	-83	133.3	178.8	-58.7	177.5	167.8	0	0	111.1	T182 T183 A185 R189	T182-E187 CarbonylContact C-O 3.59Å; T182-E187 WeakPolarHBondContact CA-O 3.33Å; T183-E187 HydrophobicContact CG2-CB 4.39Å; T183-E187 PolarHBondContact N-O 2.88Å; T183-E187 WeakPolarHBondContact OG1-CB 3.47Å; T183-E187 PolarHBondContact OG1-N 2.97Å; A185-E187 HydrophobicContact CB-CG 4.35Å; E187-R189 IonicContact OE2-CZ 3.53Å; E187-R189 IonicContact OE2-NE 2.68Å; E187-R189 PolarHBondContact OE2-NE 3.33Å; E187-R189 VanDerWaalsContact OE2-NE 3.13Å; E187-R189 IonicContact OE2-NH2 3.56Å; E187-R189 PolarHBondContact OE2-NH2 2.91Å
188	T	91.2	Very high	92.1	Very high	78 Å²	78	43.7 Å²	43.7	48%	0.479	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	128.8	165.8	-51.8	0	0	0	0	109.7	K180 Y181 Y190	K180-T188 HydrophobicContact CG-CG2 3.9Å; Y181-T188 WeakPolarHBondContact O-CA 3.18Å; T188-Y190 HydrophobicContact CG2-CE2 4.08Å
189	R	93.3	Very high	91.9	Very high	87 Å²	87	42.3 Å²	42.3	33%	0.328	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	167	172.5	-65.9	-170	-174.5	-174.8	-0.4	110.4	Y181 T183 E187 E269	Y181-R189 HydrophobicContact CD2-CB 4.26Å; Y181-R189 HydrophobicContact CE1-CB 4.24Å; Y181-R189 HydrophobicContact CE2-CB 3.62Å; Y181-R189 PolarHBondContact N-O 2.7Å; Y181-R189 PolarHBondContact O-N 3Å; T183-R189 HydrophobicContact CG2-CB 4.48Å; T183-R189 VanDerWaalsContact CG2-CD 3.48Å; T183-R189 HydrophobicContact CG2-CG 3.87Å; E187-R189 IonicContact OE2-CZ 3.53Å; E187-R189 IonicContact OE2-NE 2.68Å; E187-R189 PolarHBondContact OE2-NE 3.33Å; E187-R189 VanDerWaalsContact OE2-NE 3.13Å; E187-R189 IonicContact OE2-NH2 3.56Å; E187-R189 PolarHBondContact OE2-NH2 2.91Å; R189-E269 WeakPolarHBondContact CD-OE1 3.43Å; R189-E269 VanDerWaalsContact CD-OE2 3.28Å; R189-E269 WeakPolarHBondContact CD-OE2 3.23Å; R189-E269 IonicContact CZ-OE1 2.62Å; R189-E269 IonicContact CZ-OE2 2.72Å; R189-E269 IonicContact NE-OE1 2.72Å; R189-E269 IonicContact NE-OE2 2.9Å; R189-E269 IonicContact NH1-OE1 2.67Å; R189-E269 PolarHBondContact NH1-OE1 3.48Å; R189-E269 IonicContact NH1-OE2 2.68Å; R189-E269 PolarHBondContact NH1-OE2 2.84Å
190	Y	96.1	Very high	91.9	Very high	69 Å²	69	43 Å²	43	27%	0.271	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	150.2	-174.8	-63.2	-88.1	0	0	0	111.8	F91 R178 S179 K180 Y181 T188	F91-Y190 AromaticContact CE1-CD1 3.81Å; F91-Y190 HydrophobicContact CE1-CD1 3.81Å; F91-Y190 AromaticContact CE1-CD2 3.9Å; F91-Y190 HydrophobicContact CE1-CD2 3.9Å; F91-Y190 HydrophobicContact CE1-CE1 4.14Å; F91-Y190 HydrophobicContact CE1-CE2 4.26Å; F91-Y190 AromaticContact CE1-CG 3.67Å; F91-Y190 HydrophobicContact CE1-CG 3.67Å; F91-Y190 AromaticContact CZ-CD1 3.95Å; F91-Y190 HydrophobicContact CZ-CD1 3.95Å; F91-Y190 AromaticContact CZ-CD2 3.83Å; F91-Y190 HydrophobicContact CZ-CD2 3.83Å; F91-Y190 AromaticContact CZ-CE1 3.8Å; F91-Y190 HydrophobicContact CZ-CE1 3.8Å; F91-Y190 AromaticContact CZ-CE2 3.71Å; F91-Y190 HydrophobicContact CZ-CE2 3.71Å; F91-Y190 AromaticContact CZ-CG 3.96Å; F91-Y190 HydrophobicContact CZ-CG 3.96Å; F91-Y190 AromaticContact CZ-CZ 3.69Å; R178-Y190 HydrophobicContact CB-CD1 4.39Å; S179-Y190 CarbonylContact O-C 3.51Å; S179-Y190 VanDerWaalsContact O-CA 3.28Å; S179-Y190 WeakPolarHBondContact O-CA 3.41Å; K180-Y190 HydrophobicContact CB-CD1 4.21Å; K180-Y190 HydrophobicContact CB-CE1 3.9Å; K180-Y190 HydrophobicContact CG-CE1 4.1Å; Y181-Y190 VanDerWaalsContact CE1-C 3.43Å; Y181-Y190 PolarHBondContact OH-O 3.46Å; T188-Y190 HydrophobicContact CG2-CE2 4.08Å
191	A	97.3	Very high	92.2	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	152	166.5	0	0	0	0	0	108.4	R178 S179 Y181 V193 I267	R178-A191 WeakPolarHBondContact CA-O 3.36Å; S179-A191 PolarHBondContact N-O 2.67Å; S179-A191 PolarHBondContact O-N 3.01Å; Y181-A191 HydrophobicContact CE1-CB 3.97Å; A191-V193 HydrophobicContact CB-CG2 4.35Å; A191-I267 CarbonylContact C-O 3.59Å; A191-I267 WeakPolarHBondContact CA-O 3.44Å; A191-I267 WeakPolarHBondContact CB-O 3.26Å
192	A	98.2	Very high	92.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.6	169.7	0	0	0	0	0	109.3	P86 L88 L169 F176 Y177 V266 I267	P86-A192 HydrophobicContact CB-CB 4.49Å; L88-A192 HydrophobicContact CD2-CB 3.71Å; L169-A192 HydrophobicContact CD1-CB 3.91Å; L169-A192 HydrophobicContact CD2-CB 3.9Å; F176-A192 HydrophobicContact CD2-CB 4.34Å; F176-A192 HydrophobicContact CE2-CB 3.5Å; F176-A192 HydrophobicContact CZ-CB 3.77Å; Y177-A192 WeakPolarHBondContact O-CA 3.45Å; A192-V266 WeakPolarHBondContact O-CA 3.45Å; A192-I267 HydrophobicContact CB-CB 4.47Å; A192-I267 HydrophobicContact CB-CD1 4.36Å; A192-I267 PolarHBondContact N-O 2.9Å; A192-I267 PolarHBondContact O-N 3.44Å
193	V	97.8	Very high	93	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147.5	-167.1	-173.4	0	0	0	0	109.7	Y177 A191 V266 I327	Y177-V193 WeakPolarHBondContact CD1-O 3.35Å; Y177-V193 HydrophobicContact CE1-CB 3.98Å; Y177-V193 HydrophobicContact CE1-CG1 3.98Å; Y177-V193 WeakPolarHBondContact CE1-O 3.43Å; Y177-V193 HydrophobicContact CE2-CB 3.99Å; Y177-V193 HydrophobicContact CE2-CG1 4.39Å; Y177-V193 PolarHBondContact N-O 3.24Å; Y177-V193 PolarHBondContact O-N 3.05Å; Y177-V193 WeakPolarHBondContact OH-CG1 3.48Å; A191-V193 HydrophobicContact CB-CG2 4.35Å; V193-V266 HydrophobicContact CG1-CG2 4.21Å; V193-V266 HydrophobicContact CG2-CG1 4.34Å; V193-I327 HydrophobicContact CG1-CD1 3.83Å; V193-I327 HydrophobicContact CG1-CG1 4.02Å; V193-I327 HydrophobicContact CG1-CG2 4.12Å; V193-I327 HydrophobicContact CG2-CD1 4.06Å; V193-I327 HydrophobicContact CG2-CG2 4.13Å
194	T	98.3	Very high	93.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140.2	174.2	50.5	0	0	0	0	112.4	G175 F176 F196 A264 F265	G175-T194 WeakPolarHBondContact O-CA 3.34Å; F176-T194 HydrophobicContact CD2-CG2 4.01Å; T194-F196 HydrophobicContact CG2-CE1 3.69Å; T194-F196 HydrophobicContact CG2-CE2 4.12Å; T194-F196 HydrophobicContact CG2-CZ 3.37Å; T194-A264 VanDerWaalsContact OG1-CA 3.26Å; T194-A264 WeakPolarHBondContact OG1-CA 3.38Å; T194-A264 WeakPolarHBondContact OG1-CB 3.36Å; T194-F265 HydrophobicContact CG2-CD1 4.08Å; T194-F265 HydrophobicContact CG2-CD2 3.47Å; T194-F265 VanDerWaalsContact CG2-CD2 3.47Å; T194-F265 HydrophobicContact CG2-CE1 3.99Å; T194-F265 HydrophobicContact CG2-CE2 3.37Å; T194-F265 HydrophobicContact CG2-CG 3.83Å; T194-F265 HydrophobicContact CG2-CZ 3.63Å; T194-F265 PolarHBondContact N-O 2.92Å; T194-F265 PolarHBondContact OG1-N 3Å; T194-F265 PolarHBondContact OG1-O 3.23Å
195	Q	96.9	Very high	94.5	Very high	13 Å²	13	26.8 Å²	26.8	6%	0.061	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	112.6	159.7	168.6	60.1	37.6	0	0	107.1	G175 Y177 E197 F330 M335	G175-Q195 PolarHBondContact N-O 3.09Å; G175-Q195 PolarHBondContact O-N 3.44Å; Y177-Q195 HydrophobicContact CE1-CB 3.8Å; Q195-E197 PolarHBondContact NE2-O 2.91Å; Q195-F330 VanDerWaalsContact OE1-CZ 3.28Å; Q195-M335 PolarHBondContact NE2-SD 2.8Å; Q195-M335 VanDerWaalsContact OE1-CB 3.31Å; Q195-M335 VanDerWaalsContact OE1-CG 3.26Å
196	F	97	Very high	95.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.			trans	-115.9	-17.3	-169.9	-66	-14.7	0	0	0	115.1	G175 T194 A198 T199 D200 A201 A204 F205 V263 F265	G175-F196 WeakPolarHBondContact O-CE1 3.27Å; T194-F196 HydrophobicContact CG2-CE1 3.69Å; T194-F196 HydrophobicContact CG2-CE2 4.12Å; T194-F196 HydrophobicContact CG2-CZ 3.37Å; F196-A198 CarbonylContact O-C 3.52Å; F196-A198 VanDerWaalsContact O-C 3.23Å; F196-T199 PolarHBondContact O-N 3.05Å; F196-D200 PolarHBondContact O-N 3.41Å; F196-A201 HydrophobicContact CB-CB 3.94Å; F196-A201 HydrophobicContact CD1-CB 4.37Å; F196-A201 HydrophobicContact CD2-CB 3.62Å; F196-A201 HydrophobicContact CE2-CB 4.21Å; F196-A201 HydrophobicContact CG-CB 3.74Å; F196-A204 HydrophobicContact CE1-CB 3.46Å; F196-A204 VanDerWaalsContact CE1-CB 3.46Å; F196-A204 HydrophobicContact CE2-CB 4.32Å; F196-A204 HydrophobicContact CZ-CB 3.29Å; F196-F205 AromaticContact CE2-CE1 4Å; F196-F205 HydrophobicContact CE2-CE1 4Å; F196-F205 HydrophobicContact CZ-CE1 4.43Å; F196-V263 HydrophobicContact CD2-CB 4.05Å; F196-V263 WeakPolarHBondContact CD2-O 3.32Å; F196-V263 HydrophobicContact CE2-CB 3.86Å; F196-V263 HydrophobicContact CE2-CG1 3.97Å; F196-V263 WeakPolarHBondContact CE2-O 3.21Å; F196-F265 HydrophobicContact CE2-CE1 4.39Å; F196-F265 HydrophobicContact CZ-CE1 4.21Å; F196-F265 AromaticContact CZ-CZ 3.94Å; F196-F265 HydrophobicContact CZ-CZ 3.94Å
197	E	94.1	Very high	95.9	Very high	16 Å²	16	20.1 Å²	20.1	8%	0.075	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	135.4	170.6	-158.4	176.6	-140.1	0	0	110.4	Q195 Y261 M335 W385 F450	Q195-E197 PolarHBondContact NE2-O 2.91Å; E197-Y261 HydrophobicContact CB-CD2 3.82Å; E197-Y261 HydrophobicContact CG-CD2 3.79Å; E197-Y261 HydrophobicContact CG-CE2 4.25Å; E197-Y261 HydrophobicContact CG-CG 4.42Å; E197-Y261 WeakPolarHBondContact OE1-CE2 3.48Å; E197-M335 HydrophobicContact CB-CE 3.75Å; E197-M335 HydrophobicContact CB-SD 3.52Å; E197-M335 VanDerWaalsContact CB-SD 3.52Å; E197-W385 HydrophobicContact CG-CH2 3.91Å; E197-W385 HydrophobicContact CG-CZ3 4.02Å; E197-W385 WeakPolarHBondContact OE1-CZ3 3.45Å; E197-F450 HydrophobicContact CG-CZ 3.88Å
198	A	89.6	Confident	96.3	Very high	5 Å²	5	15.9 Å²	15.9	4%	0.041	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	cis	-74.4	-50.3	0.8	0	0	0	0	0	114.1	F196 W385 V446 F450	F196-A198 CarbonylContact O-C 3.52Å; F196-A198 VanDerWaalsContact O-C 3.23Å; A198-W385 HydrophobicContact CB-CH2 4.12Å; A198-W385 HydrophobicContact CB-CZ2 4.23Å; A198-W385 HydrophobicContact CB-CZ3 4.35Å; A198-W385 WeakPolarHBondContact O-CH2 3.45Å; A198-W385 WeakPolarHBondContact O-CZ2 3.44Å; A198-V446 HydrophobicContact CB-CB 4.13Å; A198-V446 HydrophobicContact CB-CG1 4.02Å; A198-F450 HydrophobicContact CB-CE2 4.23Å
199	T	93	Very high	96.6	Very high	13 Å²	13	12.3 Å²	12.3	8%	0.08	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-147	55.2	-168.5	62	0	0	0	0	112.4	F196 R202 W385 P443	F196-T199 PolarHBondContact O-N 3.05Å; T199-R202 VanDerWaalsContact CB-CZ 3.5Å; T199-R202 WeakPolarHBondContact O-CD 3.39Å; T199-R202 WeakPolarHBondContact O-CG 3.44Å; T199-R202 PolarHBondContact O-NE 2.97Å; T199-R202 VanDerWaalsContact O-NE 3.1Å; T199-W385 HydrophobicContact CG2-CZ2 4.11Å; T199-P443 HydrophobicContact CG2-CB 3.94Å
200	D	95.2	Very high	96.7	Very high	16 Å²	16	8.6 Å²	8.6	9%	0.086	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	2.2	-180	-71.7	-68.8	0	0	0	113.6	K174 G175 F196 R202 R203	K174-D200 HydrophobicContact CB-CB 4.33Å; G175-D200 WeakPolarHBondContact CA-O 3.43Å; F196-D200 PolarHBondContact O-N 3.41Å; D200-R202 PolarHBondContact O-N 2.97Å; D200-R203 WeakPolarHBondContact O-CB 3.45Å; D200-R203 PolarHBondContact O-N 3.27Å; D200-R203 IonicContact OD1-CZ 2.83Å; D200-R203 VanDerWaalsContact OD1-CZ 3.26Å; D200-R203 IonicContact OD1-NE 3.33Å; D200-R203 PolarHBondContact OD1-NE 3.46Å; D200-R203 IonicContact OD1-NH2 3.82Å; D200-R203 PolarHBondContact OD1-NH2 2.96Å
201	A	98.2	Very high	96.7	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.026	C	C	.	.	G	3₁₀ helix	trans	-58.8	-33.4	169.6	0	0	0	0	0	111.7	F196 R203 A204 F205 D209	F196-A201 HydrophobicContact CB-CB 3.94Å; F196-A201 HydrophobicContact CD1-CB 4.37Å; F196-A201 HydrophobicContact CD2-CB 3.62Å; F196-A201 HydrophobicContact CE2-CB 4.21Å; F196-A201 HydrophobicContact CG-CB 3.74Å; A201-R203 PolarHBondContact O-N 3.16Å; A201-R203 VanDerWaalsContact O-N 3.08Å; A201-A204 PolarHBondContact O-N 3.14Å; A201-F205 HydrophobicContact CB-CE1 4.45Å; A201-F205 HydrophobicContact CB-CZ 4.4Å; A201-F205 PolarHBondContact O-N 2.9Å; A201-D209 WeakPolarHBondContact CB-OD1 3.45Å
202	R	97.4	Very high	96.6	Very high	7 Å²	7	6.9 Å²	6.9	3%	0.026	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-56.2	-14.3	169.5	66.1	-174	63.7	174	-6.2	116	N113 A115 E144 T199 D200 D209	N113-R202 HydrophobicContact CB-CB 3.76Å; N113-R202 PolarHBondContact ND2-NH2 3.07Å; A115-R202 HydrophobicContact CB-CG 4.36Å; A115-R202 PolarHBondContact N-O 2.84Å; A115-R202 VanDerWaalsContact N-O 3.08Å; E144-R202 VanDerWaalsContact OE2-CD 3.23Å; E144-R202 WeakPolarHBondContact OE2-CD 3.39Å; E144-R202 IonicContact OE2-CZ 3.61Å; E144-R202 IonicContact OE2-NE 2.92Å; E144-R202 IonicContact OE2-NH1 3.84Å; E144-R202 PolarHBondContact OE2-NH1 2.93Å; T199-R202 VanDerWaalsContact CB-CZ 3.5Å; T199-R202 WeakPolarHBondContact O-CD 3.39Å; T199-R202 WeakPolarHBondContact O-CG 3.44Å; T199-R202 PolarHBondContact O-NE 2.97Å; T199-R202 VanDerWaalsContact O-NE 3.1Å; D200-R202 PolarHBondContact O-N 2.97Å; R202-D209 HydrophobicContact CB-CB 4.34Å; R202-D209 IonicContact CZ-OD2 3.42Å; R202-D209 PolarHBondContact N-OD2 2.94Å; R202-D209 IonicContact NE-OD2 2.65Å; R202-D209 PolarHBondContact NE-OD2 3.47Å; R202-D209 PolarHBondContact NH2-O 2.72Å; R202-D209 VanDerWaalsContact NH2-O 3.17Å; R202-D209 IonicContact NH2-OD2 2.73Å
203	R	97.1	Very high	96.6	Very high	24 Å²	24	8.5 Å²	8.5	9%	0.091	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-96.3	2.3	171.4	-56.6	-169.8	-153.2	-64.1	-31.3	114	A115 D116 E144 D200 A201	A115-R203 HydrophobicContact CB-CG 4.17Å; A115-R203 WeakPolarHBondContact O-CA 3.15Å; D116-R203 HydrophobicContact CB-CG 4.42Å; D116-R203 WeakPolarHBondContact OD2-CD 3.19Å; D116-R203 IonicContact OD2-CZ 3.26Å; D116-R203 IonicContact OD2-NE 2.87Å; D116-R203 IonicContact OD2-NH1 3.93Å; D116-R203 PolarHBondContact OD2-NH1 2.68Å; E144-R203 IonicContact OE1-CZ 2.7Å; E144-R203 IonicContact OE1-NH1 2.62Å; E144-R203 PolarHBondContact OE1-NH1 3.14Å; E144-R203 IonicContact OE1-NH2 2.82Å; E144-R203 PolarHBondContact OE1-NH2 2.92Å; E144-R203 IonicContact OE2-NH2 3.23Å; D200-R203 WeakPolarHBondContact O-CB 3.45Å; D200-R203 PolarHBondContact O-N 3.27Å; D200-R203 IonicContact OD1-CZ 2.83Å; D200-R203 VanDerWaalsContact OD1-CZ 3.26Å; D200-R203 IonicContact OD1-NE 3.33Å; D200-R203 PolarHBondContact OD1-NE 3.46Å; D200-R203 IonicContact OD1-NH2 3.82Å; D200-R203 PolarHBondContact OD1-NH2 2.96Å; A201-R203 PolarHBondContact O-N 3.16Å; A201-R203 VanDerWaalsContact O-N 3.08Å
204	A	98.4	Very high	96.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-31.5	174.6	0	0	0	0	0	112.1	F93 F165 F176 F196 A201 F265	F93-A204 WeakPolarHBondContact CE2-O 3.43Å; F165-A204 WeakPolarHBondContact CE2-O 3.41Å; F176-A204 HydrophobicContact CB-CB 3.92Å; F196-A204 HydrophobicContact CE1-CB 3.46Å; F196-A204 VanDerWaalsContact CE1-CB 3.46Å; F196-A204 HydrophobicContact CE2-CB 4.32Å; F196-A204 HydrophobicContact CZ-CB 3.29Å; A201-A204 PolarHBondContact O-N 3.14Å; A204-F265 HydrophobicContact CB-CZ 4.31Å
205	F	98.6	Very high	96.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	-160.5	147.2	172.7	54.1	-80.2	0	0	0	110.9	Y80 L82 F165 F196 A201 C207 F217 V263	Y80-F205 HydrophobicContact CD1-CD2 4.34Å; Y80-F205 HydrophobicContact CD1-CE2 4.08Å; Y80-F205 HydrophobicContact CE1-CD2 4.44Å; Y80-F205 HydrophobicContact CE1-CE2 4.12Å; L82-F205 HydrophobicContact CD1-CD1 3.94Å; L82-F205 HydrophobicContact CD1-CD2 4.09Å; L82-F205 HydrophobicContact CD1-CE1 3.87Å; L82-F205 HydrophobicContact CD1-CE2 4.01Å; L82-F205 HydrophobicContact CD1-CG 4.08Å; L82-F205 HydrophobicContact CD1-CZ 3.92Å; L82-F205 HydrophobicContact CD2-CB 3.78Å; L82-F205 HydrophobicContact CD2-CD1 4.25Å; L82-F205 HydrophobicContact CD2-CD2 3.92Å; L82-F205 HydrophobicContact CD2-CG 3.73Å; F165-F205 HydrophobicContact CE1-CB 4.35Å; F165-F205 HydrophobicContact CE2-CB 4.26Å; F165-F205 HydrophobicContact CZ-CB 3.64Å; F196-F205 AromaticContact CE2-CE1 4Å; F196-F205 HydrophobicContact CE2-CE1 4Å; F196-F205 HydrophobicContact CZ-CE1 4.43Å; A201-F205 HydrophobicContact CB-CE1 4.45Å; A201-F205 HydrophobicContact CB-CZ 4.4Å; A201-F205 PolarHBondContact O-N 2.9Å; F205-C207 HydrophobicContact CD2-CB 3.64Å; F205-C207 HydrophobicContact CE2-CB 3.51Å; F205-C207 PolarHBondContact O-N 2.93Å; F205-C207 PolarHBondContact O-SG 2.93Å; F205-F217 HydrophobicContact CE2-CE1 4.21Å; F205-F217 HydrophobicContact CZ-CE1 4.12Å; F205-V263 HydrophobicContact CE1-CG1 4.21Å; F205-V263 HydrophobicContact CZ-CB 4.5Å; F205-V263 HydrophobicContact CZ-CG1 4.43Å; F205-V263 HydrophobicContact CZ-CG2 4.29Å
206	P	98.2	Very high	96.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.			trans	-63.8	125	173.4	-21.1	34.2	0	0	0	111	L97 M112 N113 C114 I117 I119 I163	L97-P206 WeakPolarHBondContact CD2-O 3.47Å; M112-P206 HydrophobicContact SD-CB 3.48Å; M112-P206 WeakPolarHBondContact SD-CB 3.45Å; N113-P206 WeakPolarHBondContact O-CA 3.38Å; C114-P206 HydrophobicContact CB-CB 4.49Å; I117-P206 HydrophobicContact CG2-CG 4.05Å; I119-P206 HydrophobicContact CD1-CB 4.38Å; I119-P206 HydrophobicContact CD1-CG 3.96Å; I119-P206 HydrophobicContact CG1-CG 4.09Å; I163-P206 HydrophobicContact CD1-CB 4.14Å; I163-P206 HydrophobicContact CD1-CG 4.49Å
207	C	98.4	Very high	96.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.059	C	C	.	.	B	Isolated β-bridge	trans	-156.5	169.1	-170.3	56.8	0	0	0	0	114.3	Y80 N113 F205 D209 T260	Y80-C207 HydrophobicContact CE1-CB 3.72Å; N113-C207 WeakPolarHBondContact CB-O 3.48Å; N113-C207 PolarHBondContact N-O 2.68Å; N113-C207 PolarHBondContact O-N 3.18Å; N113-C207 VanDerWaalsContact O-N 3.09Å; F205-C207 HydrophobicContact CD2-CB 3.64Å; F205-C207 HydrophobicContact CE2-CB 3.51Å; F205-C207 PolarHBondContact O-N 2.93Å; F205-C207 PolarHBondContact O-SG 2.93Å; C207-D209 PolarHBondContact O-N 2.74Å; C207-D209 VanDerWaalsContact O-N 3.17Å; C207-T260 HydrophobicContact CB-CG2 4.22Å
208	W	97.8	Very high	97	Very high	5 Å²	5	11.1 Å²	11.1	2%	0.019	6%	0.062	C	C	.	.			trans	-83.5	82.6	170.7	-72.5	-106.4	0	0	0	109.3	L71 V75 P77 Y80 V101 I110 M112 L161 E210 I213	L71-W208 HydrophobicContact CD1-CB 3.89Å; L71-W208 HydrophobicContact CD1-CG 4.01Å; V75-W208 HydrophobicContact CB-CZ2 4.23Å; V75-W208 HydrophobicContact CG1-CH2 4.37Å; V75-W208 HydrophobicContact CG1-CZ2 3.94Å; V75-W208 PolarHBondContact O-NE1 2.92Å; P77-W208 HydrophobicContact CB-CD2 4.48Å; P77-W208 HydrophobicContact CB-CE3 3.99Å; P77-W208 HydrophobicContact CB-CZ3 4.27Å; P77-W208 HydrophobicContact CG-CB 4.17Å; P77-W208 HydrophobicContact CG-CD2 4.02Å; P77-W208 HydrophobicContact CG-CE3 3.96Å; P77-W208 HydrophobicContact CG-CG 4.14Å; Y80-W208 HydrophobicContact CE1-CE3 4.43Å; Y80-W208 PolarHBondContact OH-N 3.49Å; Y80-W208 VanDerWaalsContact OH-N 3.1Å; V101-W208 HydrophobicContact CG1-CH2 3.83Å; V101-W208 HydrophobicContact CG1-CZ3 4.16Å; I110-W208 HydrophobicContact CG2-CH2 3.94Å; I110-W208 HydrophobicContact CG2-CZ2 3.72Å; M112-W208 HydrophobicContact CE-CE3 3.98Å; M112-W208 HydrophobicContact CE-CH2 3.66Å; M112-W208 HydrophobicContact CE-CZ2 4.41Å; M112-W208 HydrophobicContact CE-CZ3 3.42Å; M112-W208 VanDerWaalsContact CE-CZ3 3.42Å; L161-W208 HydrophobicContact CD2-CH2 3.89Å; L161-W208 HydrophobicContact CD2-CZ3 4.31Å; W208-E210 VanDerWaalsContact C-N 3.3Å; W208-E210 PolarHBondContact O-N 3.15Å; W208-I213 HydrophobicContact CB-CB 4.17Å; W208-I213 HydrophobicContact CB-CD1 3.96Å; W208-I213 HydrophobicContact CB-CG2 3.69Å; W208-I213 HydrophobicContact CG-CD1 4.48Å; W208-I213 HydrophobicContact CG-CG2 4.24Å
209	D	97.3	Very high	97.5	Very high	3 Å²	3	11 Å²	11	2%	0.016	6%	0.061	C	C	.	.			trans	-89.2	63.7	-164.1	-161.5	25.8	0	0	0	112.7	N113 A201 R202 C207 T260	N113-D209 HydrophobicContact CB-CB 3.69Å; N113-D209 PolarHBondContact OD1-N 2.95Å; A201-D209 WeakPolarHBondContact CB-OD1 3.45Å; R202-D209 HydrophobicContact CB-CB 4.34Å; R202-D209 IonicContact CZ-OD2 3.42Å; R202-D209 PolarHBondContact N-OD2 2.94Å; R202-D209 IonicContact NE-OD2 2.65Å; R202-D209 PolarHBondContact NE-OD2 3.47Å; R202-D209 PolarHBondContact NH2-O 2.72Å; R202-D209 VanDerWaalsContact NH2-O 3.17Å; R202-D209 IonicContact NH2-OD2 2.73Å; C207-D209 PolarHBondContact O-N 2.74Å; C207-D209 VanDerWaalsContact O-N 3.17Å; D209-T260 WeakPolarHBondContact OD1-CB 3.28Å; D209-T260 PolarHBondContact OD1-OG1 2.86Å
210	E	96.3	Very high	97.7	Very high	8 Å²	8	11.2 Å²	11.2	4%	0.037	6%	0.062	C	C	.	.	S	Bend	trans	-134.2	139.4	175.2	-58.3	-172.3	172.7	0	0	110.3	R70 L71 W208 A212 I213 W384	R70-E210 VanDerWaalsContact CA-OE1 3.25Å; R70-E210 WeakPolarHBondContact CA-OE1 3.1Å; R70-E210 WeakPolarHBondContact CB-OE1 3.45Å; R70-E210 IonicContact CZ-OE2 2.7Å; R70-E210 VanDerWaalsContact CZ-OE2 3.28Å; R70-E210 VanDerWaalsContact NE-CD 3.25Å; R70-E210 IonicContact NE-OE1 3.75Å; R70-E210 PolarHBondContact NE-OE1 3.12Å; R70-E210 IonicContact NE-OE2 3.69Å; R70-E210 PolarHBondContact NE-OE2 3.15Å; R70-E210 IonicContact NH2-OE2 2.71Å; R70-E210 PolarHBondContact NH2-OE2 2.89Å; L71-E210 PolarHBondContact N-OE1 2.85Å; W208-E210 VanDerWaalsContact C-N 3.3Å; W208-E210 PolarHBondContact O-N 3.15Å; E210-A212 VanDerWaalsContact C-N 3.26Å; E210-A212 PolarHBondContact O-N 3.37Å; E210-A212 VanDerWaalsContact O-N 3.14Å; E210-I213 HydrophobicContact CB-CD1 4Å; E210-I213 HydrophobicContact CB-CG1 4.13Å; E210-I213 HydrophobicContact CG-CD1 4.22Å; E210-I213 PolarHBondContact O-N 2.95Å; E210-W384 HydrophobicContact CB-CZ3 4.09Å; E210-W384 HydrophobicContact CG-CZ3 4.01Å
211	P	95.9	Very high	97.9	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.013	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-29.7	-172.6	20.3	-31.1	0	0	0	114.2	I213 S259 Y261 T381 M382 W384 W385 N489	P211-I213 VanDerWaalsContact C-N 3.29Å; P211-I213 PolarHBondContact O-N 2.98Å; P211-S259 PolarHBondContact O-OG 3.26Å; P211-Y261 HydrophobicContact CB-CE1 4.38Å; P211-T381 HydrophobicContact CB-CG2 4.08Å; P211-M382 HydrophobicContact CB-CE 4.34Å; P211-W384 HydrophobicContact CG-CE3 4.27Å; P211-W385 HydrophobicContact CG-CD2 4.42Å; P211-W385 HydrophobicContact CG-CZ2 3.97Å; P211-N489 VanDerWaalsContact C-ND2 3.34Å; P211-N489 PolarHBondContact O-ND2 3.3Å
212	A	96	Very high	97.9	Very high	33 Å²	33	11 Å²	11	27%	0.273	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.6	173.5	0	0	0	0	0	114.9	E210 K214 E383 N489	E210-A212 VanDerWaalsContact C-N 3.26Å; E210-A212 PolarHBondContact O-N 3.37Å; E210-A212 VanDerWaalsContact O-N 3.14Å; A212-K214 VanDerWaalsContact C-N 3.33Å; A212-K214 PolarHBondContact O-N 3.04Å; A212-K214 VanDerWaalsContact O-N 3.12Å; A212-E383 HydrophobicContact CB-CG 4.29Å; A212-E383 WeakPolarHBondContact CB-O 3.22Å; A212-E383 PolarHBondContact N-O 2.99Å; A212-N489 WeakPolarHBondContact CA-ND2 3.45Å
213	I	96.9	Very high	98	Very high	33 Å²	33	10.8 Å²	10.8	17%	0.169	6%	0.06	C	C	.	.			trans	-95.2	65.7	-168.8	-49.2	176.8	0	0	0	109.8	L71 P77 W208 E210 P211	L71-I213 HydrophobicContact CB-CD1 4.47Å; L71-I213 HydrophobicContact CD1-CD1 4.38Å; P77-I213 HydrophobicContact CG-CG2 3.57Å; W208-I213 HydrophobicContact CB-CB 4.17Å; W208-I213 HydrophobicContact CB-CD1 3.96Å; W208-I213 HydrophobicContact CB-CG2 3.69Å; W208-I213 HydrophobicContact CG-CD1 4.48Å; W208-I213 HydrophobicContact CG-CG2 4.24Å; E210-I213 HydrophobicContact CB-CD1 4Å; E210-I213 HydrophobicContact CB-CG1 4.13Å; E210-I213 HydrophobicContact CG-CD1 4.22Å; E210-I213 PolarHBondContact O-N 2.95Å; P211-I213 VanDerWaalsContact C-N 3.29Å; P211-I213 PolarHBondContact O-N 2.98Å
214	K	98.3	Very high	97.9	Very high	24 Å²	24	11.1 Å²	11.1	10%	0.104	7%	0.066	C	C	.	.			trans	-70.6	145.3	-179.5	-64.8	-166.7	168.5	-170.9	0	113.1	A212 I257 M258 S259 N378 T381 K488 N489	A212-K214 VanDerWaalsContact C-N 3.33Å; A212-K214 PolarHBondContact O-N 3.04Å; A212-K214 VanDerWaalsContact O-N 3.12Å; K214-I257 HydrophobicContact CB-CG2 3.53Å; K214-I257 HydrophobicContact CD-CG2 4.24Å; K214-M258 CarbonylContact C-O 3.5Å; K214-M258 VanDerWaalsContact CA-O 3.23Å; K214-M258 WeakPolarHBondContact CA-O 3.39Å; K214-M258 WeakPolarHBondContact CB-O 3.35Å; K214-S259 WeakPolarHBondContact CE-OG 3.16Å; K214-S259 WeakPolarHBondContact CG-OG 3.26Å; K214-N378 PolarHBondContact NZ-O 3.36Å; K214-T381 WeakPolarHBondContact CE-OG1 3.36Å; K214-T381 PolarHBondContact NZ-OG1 3.08Å; K214-K488 WeakPolarHBondContact CE-O 3.42Å; K214-K488 PolarHBondContact NZ-O 3.09Å; K214-N489 WeakPolarHBondContact CE-OD1 3.34Å
215	A	98.6	Very high	97.8	Very high	2 Å²	2	16.3 Å²	16.3	2%	0.017	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-148	175.7	175.9	0	0	0	0	0	111.4	P77 Y80 F217 I257 M258	P77-A215 HydrophobicContact CB-CB 4.4Å; Y80-A215 HydrophobicContact CD2-CB 3.63Å; Y80-A215 HydrophobicContact CE2-CB 3.53Å; A215-F217 HydrophobicContact CB-CE2 4.4Å; A215-F217 HydrophobicContact CB-CZ 4.47Å; A215-F217 WeakPolarHBondContact O-CE2 3.43Å; A215-I257 WeakPolarHBondContact O-CA 3.47Å; A215-M258 PolarHBondContact N-O 2.85Å; A215-M258 PolarHBondContact O-N 2.88Å
216	T	98.9	Very high	97.5	Very high	30 Å²	30	21.3 Å²	21.3	18%	0.184	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	155.1	165.6	57	0	0	0	0	111	V78 N79 Y80 T255 I257	V78-T216 PolarHBondContact O-N 3.23Å; V78-T216 VanDerWaalsContact O-N 3.11Å; V78-T216 PolarHBondContact O-OG1 3.09Å; V78-T216 VanDerWaalsContact O-OG1 3.12Å; N79-T216 CarbonylContact C-O 3.51Å; N79-T216 VanDerWaalsContact CA-O 3.26Å; N79-T216 WeakPolarHBondContact CA-O 3.36Å; N79-T216 WeakPolarHBondContact CA-OG1 3.39Å; N79-T216 VanDerWaalsContact CB-OG1 3.3Å; N79-T216 WeakPolarHBondContact CB-OG1 3.46Å; N79-T216 PolarHBondContact ND2-OG1 3.22Å; Y80-T216 PolarHBondContact N-O 2.81Å; T216-T255 WeakPolarHBondContact CG2-O 3.31Å; T216-I257 HydrophobicContact CG2-CG1 3.8Å
217	F	98.9	Very high	97.4	Very high	1 Å²	1	24 Å²	24	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.9	-179.2	-61.2	-96.8	0	0	0	110.8	Y80 L82 F205 A215 I219 T254 T255 M258 T260 V263	Y80-F217 HydrophobicContact CD1-CE1 4.33Å; Y80-F217 AromaticContact CD2-CD1 3.83Å; Y80-F217 HydrophobicContact CD2-CD1 3.83Å; Y80-F217 AromaticContact CD2-CE1 3.29Å; Y80-F217 HydrophobicContact CD2-CE1 3.29Å; Y80-F217 HydrophobicContact CD2-CE2 4.47Å; Y80-F217 AromaticContact CD2-CZ 3.67Å; Y80-F217 HydrophobicContact CD2-CZ 3.67Å; Y80-F217 AromaticContact CE2-CE1 3.77Å; Y80-F217 HydrophobicContact CE2-CE1 3.77Å; Y80-F217 AromaticContact CE2-CZ 3.83Å; Y80-F217 HydrophobicContact CE2-CZ 3.83Å; Y80-F217 AromaticContact CG-CD1 3.89Å; Y80-F217 HydrophobicContact CG-CD1 3.89Å; Y80-F217 AromaticContact CG-CE1 3.61Å; Y80-F217 HydrophobicContact CG-CE1 3.61Å; Y80-F217 HydrophobicContact CG-CZ 4.43Å; L82-F217 HydrophobicContact CD1-CD1 4.22Å; F205-F217 HydrophobicContact CE2-CE1 4.21Å; F205-F217 HydrophobicContact CZ-CE1 4.12Å; A215-F217 HydrophobicContact CB-CE2 4.4Å; A215-F217 HydrophobicContact CB-CZ 4.47Å; A215-F217 WeakPolarHBondContact O-CE2 3.43Å; F217-I219 HydrophobicContact CB-CD1 4.28Å; F217-I219 HydrophobicContact CB-CG1 4.23Å; F217-T254 WeakPolarHBondContact O-CA 3.47Å; F217-T255 HydrophobicContact CB-CG2 3.96Å; F217-T255 PolarHBondContact N-OG1 3.36Å; F217-T255 PolarHBondContact O-N 3.5Å; F217-M258 HydrophobicContact CD2-CE 3.77Å; F217-M258 HydrophobicContact CD2-CG 3.91Å; F217-M258 HydrophobicContact CE2-CE 4.18Å; F217-M258 HydrophobicContact CE2-CG 3.84Å; F217-M258 HydrophobicContact CG-CE 4.38Å; F217-T260 HydrophobicContact CZ-CG2 4.35Å; F217-V263 HydrophobicContact CD1-CG2 3.53Å; F217-V263 HydrophobicContact CD2-CG2 3.93Å; F217-V263 HydrophobicContact CE1-CG2 3.45Å; F217-V263 VanDerWaalsContact CE1-CG2 3.45Å; F217-V263 HydrophobicContact CE2-CG2 3.85Å; F217-V263 HydrophobicContact CG-CG2 3.8Å; F217-V263 HydrophobicContact CZ-CG2 3.61Å
218	D	98.8	Very high	97.3	Very high	27 Å²	27	26 Å²	26	14%	0.144	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	95	174.6	-88.3	-79.2	0	0	0	108.7	N79 Y80 L82 K251 T254	N79-D218 PolarHBondContact ND2-OD2 2.97Å; Y80-D218 PolarHBondContact O-N 3.29Å; L82-D218 PolarHBondContact N-O 3.44Å; D218-K251 IonicContact OD1-NZ 2.71Å; D218-K251 PolarHBondContact OD1-NZ 2.94Å; D218-T254 PolarHBondContact OD1-OG1 3.04Å; D218-T254 WeakPolarHBondContact OD2-CG2 3.22Å
219	I	98.9	Very high	97.4	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.015	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133	-169.1	-60.7	167.8	0	0	0	111	F217 L221 S231 F252 V263	F217-I219 HydrophobicContact CB-CD1 4.28Å; F217-I219 HydrophobicContact CB-CG1 4.23Å; I219-L221 HydrophobicContact CG2-CD2 4.28Å; I219-L221 HydrophobicContact CG2-CG 4.31Å; I219-S231 WeakPolarHBondContact CD1-OG 3.42Å; I219-F252 HydrophobicContact CB-CD2 4.4Å; I219-F252 HydrophobicContact CG2-CD2 4.13Å; I219-F252 PolarHBondContact O-N 3.43Å; I219-V263 HydrophobicContact CD1-CG1 3.93Å
220	T	98.8	Very high	97.4	Very high	18 Å²	18	26.7 Å²	26.7	11%	0.11	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.2	174.7	-53.2	0	0	0	0	109.6	L82 C83 L84 E249 V250 K251	L82-T220 PolarHBondContact O-N 3.49Å; C83-T220 WeakPolarHBondContact CA-O 3.37Å; L84-T220 PolarHBondContact N-O 3.31Å; T220-E249 HydrophobicContact CG2-CG 3.54Å; T220-V250 CarbonylContact C-O 3.6Å; T220-V250 WeakPolarHBondContact CA-O 3.28Å; T220-K251 HydrophobicContact CG2-CB 4.41Å
221	L	98.8	Very high	97.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.5	179.3	-57.9	176.3	0	0	0	110	L84 I219 V223 A229 V250 F252 F265 I267	L84-L221 HydrophobicContact CB-CD2 4.08Å; L84-L221 HydrophobicContact CD1-CD2 4.44Å; L84-L221 WeakPolarHBondContact O-CA 3.36Å; I219-L221 HydrophobicContact CG2-CD2 4.28Å; I219-L221 HydrophobicContact CG2-CG 4.31Å; L221-V223 HydrophobicContact CB-CG1 3.89Å; L221-A229 HydrophobicContact CD1-CB 4.25Å; L221-V250 PolarHBondContact N-O 3.12Å; L221-V250 PolarHBondContact O-N 3.38Å; L221-F252 HydrophobicContact CB-CE2 4.42Å; L221-F252 HydrophobicContact CD1-CE2 3.68Å; L221-F252 HydrophobicContact CD1-CZ 4.1Å; L221-F252 HydrophobicContact CG-CE2 3.89Å; L221-F265 HydrophobicContact CD1-CB 3.82Å; L221-F265 HydrophobicContact CD2-CB 4.26Å; L221-F265 HydrophobicContact CD2-CD2 4.34Å; L221-F265 HydrophobicContact CD2-CG 4.22Å; L221-I267 HydrophobicContact CD1-CD1 4.15Å; L221-I267 HydrophobicContact CD1-CG1 4.3Å
222	I	98.5	Very high	97.7	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.062	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	106.2	174.2	-59.9	158.9	0	0	0	107.6	L84 K85 Y241 L247 V248 E249	L84-I222 PolarHBondContact O-N 2.69Å; K85-I222 HydrophobicContact CB-CB 3.98Å; K85-I222 HydrophobicContact CB-CD1 4.3Å; K85-I222 HydrophobicContact CB-CG2 4.44Å; K85-I222 HydrophobicContact CD-CG2 4.22Å; K85-I222 HydrophobicContact CG-CB 4.06Å; K85-I222 HydrophobicContact CG-CG2 3.99Å; I222-Y241 HydrophobicContact CB-CD2 4.46Å; I222-Y241 HydrophobicContact CD1-CD2 4.09Å; I222-Y241 HydrophobicContact CD1-CE2 3.46Å; I222-Y241 VanDerWaalsContact CD1-CE2 3.46Å; I222-Y241 HydrophobicContact CG1-CD2 3.96Å; I222-Y241 HydrophobicContact CG1-CE2 3.87Å; I222-Y241 HydrophobicContact CG2-CD1 4.1Å; I222-Y241 HydrophobicContact CG2-CD2 3.62Å; I222-Y241 HydrophobicContact CG2-CE1 4.33Å; I222-Y241 HydrophobicContact CG2-CE2 3.9Å; I222-Y241 HydrophobicContact CG2-CG 3.74Å; I222-L247 HydrophobicContact CG2-CB 4.27Å; I222-L247 HydrophobicContact CG2-CD1 4.13Å; I222-V248 WeakPolarHBondContact CA-O 3.37Å; I222-E249 HydrophobicContact CG1-CG 4.42Å
223	V	97.9	Very high	97.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	160.4	-165.2	-60.1	0	0	0	0	112.5	L221 K225 A229 L247 V248 V250 I267	L221-V223 HydrophobicContact CB-CG1 3.89Å; V223-K225 PolarHBondContact O-N 3.38Å; V223-A229 HydrophobicContact CG1-CB 4.35Å; V223-A229 HydrophobicContact CG2-CB 4.04Å; V223-L247 CarbonylContact O-C 3.47Å; V223-L247 VanDerWaalsContact O-CA 3.26Å; V223-L247 WeakPolarHBondContact O-CA 3.47Å; V223-V248 HydrophobicContact CG2-CG2 3.74Å; V223-V248 PolarHBondContact N-O 3.03Å; V223-V248 WeakPolarHBondContact O-CG2 3.43Å; V223-V248 PolarHBondContact O-N 3.17Å; V223-V250 HydrophobicContact CG2-CG2 4.11Å; V223-I267 HydrophobicContact CB-CG2 4.07Å; V223-I267 HydrophobicContact CG1-CB 4.44Å; V223-I267 HydrophobicContact CG1-CG1 3.7Å; V223-I267 HydrophobicContact CG1-CG2 3.77Å
224	P	96.9	Very high	97.8	Very high	31 Å²	31	27.2 Å²	27.2	20%	0.201	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	134.7	168.9	-22.6	33.7	0	0	0	112	D226 R227 L247	P224-D226 VanDerWaalsContact CB-OD1 3.32Å; P224-D226 WeakPolarHBondContact CB-OD1 3.32Å; P224-D226 PolarHBondContact O-N 3.49Å; P224-R227 HydrophobicContact CB-CG 4.03Å; P224-R227 HydrophobicContact CG-CG 4.25Å; P224-R227 PolarHBondContact O-N 2.86Å; P224-L247 HydrophobicContact CG-CD2 4.28Å
225	K	95.1	Very high	97.8	Very high	110 Å²	110	29.1 Å²	29.1	48%	0.478	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-12.9	-176.6	69.3	-168.3	163.7	-164.7	0	115.2	V223 V245 N246 V248	V223-K225 PolarHBondContact O-N 3.38Å; K225-V245 PolarHBondContact NZ-O 3.24Å; K225-N246 WeakPolarHBondContact CB-O 3.32Å; K225-N246 WeakPolarHBondContact CG-O 3.22Å; K225-N246 PolarHBondContact N-O 3.49Å; K225-N246 PolarHBondContact NZ-OD1 2.97Å; K225-V248 HydrophobicContact CB-CG1 3.87Å; K225-V248 HydrophobicContact CB-CG2 4.48Å
226	D	93	Very high	97.8	Very high	104 Å²	104	33.1 Å²	33.1	56%	0.556	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.1	15.3	177.9	64.8	-43.8	0	0	0	112.5	P224	P224-D226 VanDerWaalsContact CB-OD1 3.32Å; P224-D226 WeakPolarHBondContact CB-OD1 3.32Å; P224-D226 PolarHBondContact O-N 3.49Å
227	R	95.6	Very high	97.7	Very high	57 Å²	57	36 Å²	36	22%	0.215	19%	0.19	C	C	.	.	S	Bend	trans	-111.1	147.5	169.5	-63.8	-67.7	168.2	-72.9	-8.3	111.2	P224 I267 G268 E269	P224-R227 HydrophobicContact CB-CG 4.03Å; P224-R227 HydrophobicContact CG-CG 4.25Å; P224-R227 PolarHBondContact O-N 2.86Å; R227-I267 HydrophobicContact CB-CG2 3.99Å; R227-I267 HydrophobicContact CG-CG2 4.39Å; R227-G268 WeakPolarHBondContact CA-O 3.49Å; R227-G268 WeakPolarHBondContact CD-O 3.46Å; R227-E269 IonicContact CZ-OE1 2.75Å; R227-E269 IonicContact NE-OE1 3.39Å; R227-E269 IonicContact NH1-OE1 2.93Å; R227-E269 PolarHBondContact NH1-OE1 2.72Å; R227-E269 IonicContact NH2-OE1 3.26Å; R227-E269 PolarHBondContact NH2-OE1 2.95Å; R227-E269 VanDerWaalsContact NH2-OE1 3.16Å
228	V	97.2	Very high	97.6	Very high	43 Å²	43	41.6 Å²	41.6	26%	0.261	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134.9	163.1	-176.8	0	0	0	0	107.5	L230 I267 G268 Y286	V228-L230 HydrophobicContact CG1-CD2 3.71Å; V228-L230 HydrophobicContact CG1-CG 3.91Å; V228-I267 WeakPolarHBondContact O-CA 3.5Å; V228-G268 PolarHBondContact N-O 3.33Å; V228-G268 PolarHBondContact O-N 3.48Å; V228-G268 VanDerWaalsContact O-N 3.07Å; V228-Y286 HydrophobicContact CG1-CD1 4.49Å; V228-Y286 HydrophobicContact CG1-CE1 3.95Å
229	A	98.3	Very high	97.5	Very high	14 Å²	14	43.8 Å²	43.8	12%	0.116	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.1	170.5	0	0	0	0	0	109.3	L221 V223 V250 F252 V266	L221-A229 HydrophobicContact CD1-CB 4.25Å; V223-A229 HydrophobicContact CG1-CB 4.35Å; V223-A229 HydrophobicContact CG2-CB 4.04Å; A229-V250 HydrophobicContact CB-CG2 4.33Å; A229-F252 HydrophobicContact CB-CZ 4.41Å; A229-V266 WeakPolarHBondContact CA-O 3.35Å
230	L	98.8	Very high	97.4	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.042	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	152.6	179	-53.6	179.4	0	0	0	110.1	V228 F265 V266 Y286 I325 L340	V228-L230 HydrophobicContact CG1-CD2 3.71Å; V228-L230 HydrophobicContact CG1-CG 3.91Å; L230-F265 WeakPolarHBondContact O-CA 3.16Å; L230-F265 WeakPolarHBondContact O-CB 3.03Å; L230-V266 PolarHBondContact N-O 3.27Å; L230-V266 PolarHBondContact O-N 2.9Å; L230-Y286 HydrophobicContact CD1-CD1 4.07Å; L230-Y286 HydrophobicContact CD1-CD2 3.75Å; L230-Y286 HydrophobicContact CD1-CE1 4.13Å; L230-Y286 HydrophobicContact CD1-CE2 3.81Å; L230-Y286 HydrophobicContact CD1-CG 3.89Å; L230-Y286 HydrophobicContact CD2-CE1 3.99Å; L230-Y286 HydrophobicContact CD2-CE2 3.94Å; L230-Y286 WeakPolarHBondContact CD2-OH 3.3Å; L230-I325 HydrophobicContact CD1-CD1 3.69Å; L230-L340 HydrophobicContact CB-CD1 3.88Å; L230-L340 HydrophobicContact CB-CD2 3.67Å; L230-L340 HydrophobicContact CB-CG 4.46Å; L230-L340 HydrophobicContact CD1-CD1 3.78Å; L230-L340 HydrophobicContact CG-CD1 4.47Å
231	S	98.8	Very high	97.2	Very high	1 Å²	1	51 Å²	51	1%	0.007	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	-176.1	166.1	-169.8	0	0	0	0	109.7	I219 M233 A264 K321	I219-S231 WeakPolarHBondContact CD1-OG 3.42Å; S231-M233 VanDerWaalsContact C-N 3.32Å; S231-M233 PolarHBondContact O-N 3.48Å; S231-A264 VanDerWaalsContact CA-O 3.23Å; S231-A264 WeakPolarHBondContact CA-O 3.19Å; S231-A264 WeakPolarHBondContact CB-O 3.47Å; S231-A264 PolarHBondContact OG-O 2.98Å; S231-K321 PolarHBondContact O-NZ 3.27Å
232	N	98.8	Very high	97	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	29%	0.292	C	S	.	.	S	Bend	trans	-50	-47.6	-178.3	-64.8	98.2	0	0	0	113.4	T255 L262 A264 K321 W338	N232-T255 HydrophobicContact CB-CG2 4.02Å; N232-L262 PolarHBondContact ND2-O 3.28Å; N232-A264 PolarHBondContact OD1-N 2.97Å; N232-A264 PolarHBondContact OD1-O 2.97Å; N232-K321 WeakPolarHBondContact O-CE 3.5Å; N232-K321 PolarHBondContact O-NZ 2.95Å; N232-W338 VanDerWaalsContact CA-O 3.3Å; N232-W338 WeakPolarHBondContact CA-O 3.28Å; N232-W338 WeakPolarHBondContact CB-O 3.49Å; N232-W338 PolarHBondContact ND2-N 3.01Å; N232-W338 PolarHBondContact ND2-O 2.68Å
233	M	98.7	Very high	96.6	Very high	22 Å²	22	59.2 Å²	59.2	11%	0.108	33%	0.333	C	S	.	.	S	Bend	trans	-96.2	175.7	-177.7	-61.9	-58.1	-69	0	0	112.8	S231 F252 G253 T255 L319 P320 K321	S231-M233 VanDerWaalsContact C-N 3.32Å; S231-M233 PolarHBondContact O-N 3.48Å; M233-F252 HydrophobicContact CB-CB 4.42Å; M233-F252 WeakPolarHBondContact O-CD1 3.4Å; M233-G253 VanDerWaalsContact CB-O 3.29Å; M233-G253 WeakPolarHBondContact CB-O 3.2Å; M233-G253 VanDerWaalsContact CG-O 3.25Å; M233-G253 WeakPolarHBondContact CG-O 3.09Å; M233-T255 HydrophobicContact CG-CG2 3.95Å; M233-L319 HydrophobicContact CE-CD2 4.37Å; M233-L319 HydrophobicContact SD-CD1 4.11Å; M233-L319 HydrophobicContact SD-CD2 3.8Å; M233-L319 HydrophobicContact SD-CG 4.44Å; M233-P320 HydrophobicContact CE-CG 4.48Å; M233-K321 WeakPolarHBondContact O-CE 3.46Å
234	D	97.2	Very high	96.4	Very high	63 Å²	63	61.9 Å²	61.9	34%	0.337	35%	0.348	S	S	.	.			trans	-75.1	159.6	171	58.9	-56.5	0	0	0	112.7	V236 F252 G253 P320 K321	D234-V236 PolarHBondContact O-N 3.24Å; D234-F252 CarbonylContact O-C 3.53Å; D234-F252 VanDerWaalsContact O-CA 3.26Å; D234-F252 WeakPolarHBondContact O-CA 3.37Å; D234-G253 PolarHBondContact O-N 3.44Å; D234-P320 WeakPolarHBondContact OD1-CG 3.4Å; D234-K321 HydrophobicContact CB-CG 4.34Å
235	V	98.2	Very high	96.1	Very high	64 Å²	64	66.2 Å²	66.2	39%	0.388	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	111.6	178.3	176.7	0	0	0	0	109.3	Q238 V250 F252	V235-Q238 HydrophobicContact CG1-CB 4.39Å; V235-V250 HydrophobicContact CB-CG1 4.44Å; V235-V250 HydrophobicContact CG1-CG1 3.8Å; V235-V250 HydrophobicContact CG2-CG1 3.75Å; V235-F252 HydrophobicContact CG2-CD1 3.81Å; V235-F252 HydrophobicContact CG2-CE1 3.46Å; V235-F252 VanDerWaalsContact CG2-CE1 3.46Å; V235-F252 HydrophobicContact CG2-CZ 4.16Å
236	V	97.6	Very high	96.1	Very high	85 Å²	85	65 Å²	65	52%	0.515	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-22	178.9	-61.5	0	0	0	0	112.8	D234 K251	D234-V236 PolarHBondContact O-N 3.24Å; V236-K251 HydrophobicContact CG2-CG 4.16Å; V236-K251 WeakPolarHBondContact CG2-O 3.4Å; V236-K251 PolarHBondContact N-O 2.79Å
237	H	97	Very high	96.4	Very high	92 Å²	92	61.3 Å²	61.3	43%	0.426	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	138.7	-179.1	174.8	-93.9	0	0	0	112.2	K251	H237-K251 HydrophobicContact CB-CB 4.5Å; H237-K251 PolarHBondContact N-O 3.21Å; H237-K251 PolarHBondContact O-N 3.08Å
238	Q	96.9	Very high	96.5	Very high	118 Å²	118	59.4 Å²	59.4	55%	0.551	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.8	133.4	174.7	-177.9	175.7	7.6	0	0	110.4	V235 V248 E249 V250	V235-Q238 HydrophobicContact CG1-CB 4.39Å; Q238-V248 HydrophobicContact CG-CB 4.44Å; Q238-E249 WeakPolarHBondContact CA-O 3.46Å; Q238-V250 HydrophobicContact CG-CG2 4.13Å
239	K	96.4	Very high	96.5	Very high	73 Å²	73	59.2 Å²	59.2	32%	0.317	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	161.9	176.4	63	171.7	178	-159.7	0	111.3	V248 E249	K239-V248 CarbonylContact O-C 3.53Å; K239-V248 VanDerWaalsContact O-CA 3.24Å; K239-V248 WeakPolarHBondContact O-CA 3.41Å; K239-V248 WeakPolarHBondContact O-CB 3.26Å; K239-E249 WeakPolarHBondContact CE-OE1 3.05Å; K239-E249 WeakPolarHBondContact CE-OE2 3.44Å; K239-E249 HydrophobicContact CG-CB 4.09Å; K239-E249 PolarHBondContact N-O 3.04Å; K239-E249 VanDerWaalsContact N-O 3.08Å; K239-E249 IonicContact NZ-OE1 3.72Å; K239-E249 PolarHBondContact NZ-OE1 3.47Å; K239-E249 IonicContact NZ-OE2 3.17Å; K239-E249 PolarHBondContact NZ-OE2 2.86Å; K239-E249 PolarHBondContact O-N 3.37Å
240	P	96.6	Very high	96.5	Very high	98 Å²	98	58.7 Å²	58.7	64%	0.636	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.5	142.4	163.4	-21.4	33.7	0	0	0	111.5
241	Y	95.5	Very high	96.5	Very high	75 Å²	75	61.8 Å²	61.8	29%	0.294	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	135.7	178.8	-175.4	-111.8	0	0	0	111.4	I222 G243 D244 L247 E249	I222-Y241 HydrophobicContact CB-CD2 4.46Å; I222-Y241 HydrophobicContact CD1-CD2 4.09Å; I222-Y241 HydrophobicContact CD1-CE2 3.46Å; I222-Y241 VanDerWaalsContact CD1-CE2 3.46Å; I222-Y241 HydrophobicContact CG1-CD2 3.96Å; I222-Y241 HydrophobicContact CG1-CE2 3.87Å; I222-Y241 HydrophobicContact CG2-CD1 4.1Å; I222-Y241 HydrophobicContact CG2-CD2 3.62Å; I222-Y241 HydrophobicContact CG2-CE1 4.33Å; I222-Y241 HydrophobicContact CG2-CE2 3.9Å; I222-Y241 HydrophobicContact CG2-CG 3.74Å; Y241-G243 PolarHBondContact O-N 2.79Å; Y241-D244 HydrophobicContact CD1-CB 4.47Å; Y241-D244 PolarHBondContact O-N 2.86Å; Y241-L247 HydrophobicContact CD1-CB 4.28Å; Y241-L247 HydrophobicContact CD1-CD1 4.15Å; Y241-L247 HydrophobicContact CG-CB 4.27Å; Y241-L247 PolarHBondContact N-O 3.12Å; Y241-E249 HydrophobicContact CD2-CB 4.43Å
242	P	93.3	Very high	96.5	Very high	93 Å²	93	62 Å²	62	60%	0.604	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	120.5	177.8	-23.9	35.2	0	0	0	112.3
243	G	90	Very high	96.5	Very high	91 Å²	91	62.4 Å²	62.4	94%	0.938	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.7	-18.5	176.3	0	0	0	0	0	115.4	Y241	Y241-G243 PolarHBondContact O-N 2.79Å
244	D	93.9	Very high	96.5	Very high	57 Å²	57	64.7 Å²	64.7	31%	0.305	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	116.9	173.8	-167.5	-18.6	0	0	0	111.8	Y241 N246 L247	Y241-D244 HydrophobicContact CD1-CB 4.47Å; Y241-D244 PolarHBondContact O-N 2.86Å; D244-N246 PolarHBondContact O-N 3.04Å; D244-N246 WeakPolarHBondContact OD1-CB 3.5Å; D244-N246 PolarHBondContact OD1-N 3.22Å; D244-N246 PolarHBondContact OD1-ND2 2.82Å; D244-L247 HydrophobicContact CB-CB 4.3Å; D244-L247 HydrophobicContact CB-CD1 4.04Å; D244-L247 HydrophobicContact CB-CG 4.12Å; D244-L247 PolarHBondContact O-N 2.92Å
245	V	92.1	Very high	96.6	Very high	121 Å²	121	62 Å²	62	73%	0.733	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	-3.2	179.2	-61.3	0	0	0	0	114	K225	K225-V245 PolarHBondContact NZ-O 3.24Å
246	N	95.3	Very high	96.6	Very high	86 Å²	86	60.5 Å²	60.5	46%	0.46	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-16.1	175.3	-57.8	-52.5	0	0	0	113.4	K225 D244	K225-N246 WeakPolarHBondContact CB-O 3.32Å; K225-N246 WeakPolarHBondContact CG-O 3.22Å; K225-N246 PolarHBondContact N-O 3.49Å; K225-N246 PolarHBondContact NZ-OD1 2.97Å; D244-N246 PolarHBondContact O-N 3.04Å; D244-N246 WeakPolarHBondContact OD1-CB 3.5Å; D244-N246 PolarHBondContact OD1-N 3.22Å; D244-N246 PolarHBondContact OD1-ND2 2.82Å
247	L	97.4	Very high	96.7	Very high	26 Å²	26	60.1 Å²	60.1	14%	0.136	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	152.1	178.7	-60.6	177.3	0	0	0	111.8	I222 V223 P224 Y241 D244	I222-L247 HydrophobicContact CG2-CB 4.27Å; I222-L247 HydrophobicContact CG2-CD1 4.13Å; V223-L247 CarbonylContact O-C 3.47Å; V223-L247 VanDerWaalsContact O-CA 3.26Å; V223-L247 WeakPolarHBondContact O-CA 3.47Å; P224-L247 HydrophobicContact CG-CD2 4.28Å; Y241-L247 HydrophobicContact CD1-CB 4.28Å; Y241-L247 HydrophobicContact CD1-CD1 4.15Å; Y241-L247 HydrophobicContact CG-CB 4.27Å; Y241-L247 PolarHBondContact N-O 3.12Å; D244-L247 HydrophobicContact CB-CB 4.3Å; D244-L247 HydrophobicContact CB-CD1 4.04Å; D244-L247 HydrophobicContact CB-CG 4.12Å; D244-L247 PolarHBondContact O-N 2.92Å
248	V	98	Very high	96.7	Very high	16 Å²	16	55.8 Å²	55.8	10%	0.097	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.3	171	-72.2	0	0	0	0	109.8	I222 V223 K225 Q238 K239 V250	I222-V248 WeakPolarHBondContact CA-O 3.37Å; V223-V248 HydrophobicContact CG2-CG2 3.74Å; V223-V248 PolarHBondContact N-O 3.03Å; V223-V248 WeakPolarHBondContact O-CG2 3.43Å; V223-V248 PolarHBondContact O-N 3.17Å; K225-V248 HydrophobicContact CB-CG1 3.87Å; K225-V248 HydrophobicContact CB-CG2 4.48Å; Q238-V248 HydrophobicContact CG-CB 4.44Å; K239-V248 CarbonylContact O-C 3.53Å; K239-V248 VanDerWaalsContact O-CA 3.24Å; K239-V248 WeakPolarHBondContact O-CA 3.41Å; K239-V248 WeakPolarHBondContact O-CB 3.26Å; V248-V250 HydrophobicContact CG2-CG2 4.01Å
249	E	98.3	Very high	96.8	Very high	39 Å²	39	50.2 Å²	50.2	18%	0.182	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	116	167.5	-171.8	-168.8	106.3	0	0	107.8	T220 I222 Q238 K239 Y241	T220-E249 HydrophobicContact CG2-CG 3.54Å; I222-E249 HydrophobicContact CG1-CG 4.42Å; Q238-E249 WeakPolarHBondContact CA-O 3.46Å; K239-E249 WeakPolarHBondContact CE-OE1 3.05Å; K239-E249 WeakPolarHBondContact CE-OE2 3.44Å; K239-E249 HydrophobicContact CG-CB 4.09Å; K239-E249 PolarHBondContact N-O 3.04Å; K239-E249 VanDerWaalsContact N-O 3.08Å; K239-E249 IonicContact NZ-OE1 3.72Å; K239-E249 PolarHBondContact NZ-OE1 3.47Å; K239-E249 IonicContact NZ-OE2 3.17Å; K239-E249 PolarHBondContact NZ-OE2 2.86Å; K239-E249 PolarHBondContact O-N 3.37Å; Y241-E249 HydrophobicContact CD2-CB 4.43Å
250	V	98.6	Very high	96.9	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.024	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.9	177.8	-174.7	0	0	0	0	107.8	T220 L221 V223 A229 V235 Q238 V248 F252	T220-V250 CarbonylContact C-O 3.6Å; T220-V250 WeakPolarHBondContact CA-O 3.28Å; L221-V250 PolarHBondContact N-O 3.12Å; L221-V250 PolarHBondContact O-N 3.38Å; V223-V250 HydrophobicContact CG2-CG2 4.11Å; A229-V250 HydrophobicContact CB-CG2 4.33Å; V235-V250 HydrophobicContact CB-CG1 4.44Å; V235-V250 HydrophobicContact CG1-CG1 3.8Å; V235-V250 HydrophobicContact CG2-CG1 3.75Å; Q238-V250 HydrophobicContact CG-CG2 4.13Å; V248-V250 HydrophobicContact CG2-CG2 4.01Å; V250-F252 HydrophobicContact CB-CE2 4.39Å; V250-F252 HydrophobicContact CG1-CE1 4.34Å; V250-F252 HydrophobicContact CG1-CE2 3.85Å; V250-F252 HydrophobicContact CG1-CZ 3.73Å
251	K	98.6	Very high	97	Very high	73 Å²	73	42.2 Å²	42.2	32%	0.317	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.5	173.7	177.8	164.3	-179	167.4	0	110.6	D218 T220 V236 H237	D218-K251 IonicContact OD1-NZ 2.71Å; D218-K251 PolarHBondContact OD1-NZ 2.94Å; T220-K251 HydrophobicContact CG2-CB 4.41Å; V236-K251 HydrophobicContact CG2-CG 4.16Å; V236-K251 WeakPolarHBondContact CG2-O 3.4Å; V236-K251 PolarHBondContact N-O 2.79Å; H237-K251 HydrophobicContact CB-CB 4.5Å; H237-K251 PolarHBondContact N-O 3.21Å; H237-K251 PolarHBondContact O-N 3.08Å
252	F	98.8	Very high	97.1	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	163.9	176.3	-59.5	-90.6	0	0	0	111.3	I219 L221 A229 M233 D234 V235 V250	I219-F252 HydrophobicContact CB-CD2 4.4Å; I219-F252 HydrophobicContact CG2-CD2 4.13Å; I219-F252 PolarHBondContact O-N 3.43Å; L221-F252 HydrophobicContact CB-CE2 4.42Å; L221-F252 HydrophobicContact CD1-CE2 3.68Å; L221-F252 HydrophobicContact CD1-CZ 4.1Å; L221-F252 HydrophobicContact CG-CE2 3.89Å; A229-F252 HydrophobicContact CB-CZ 4.41Å; M233-F252 HydrophobicContact CB-CB 4.42Å; M233-F252 WeakPolarHBondContact O-CD1 3.4Å; D234-F252 CarbonylContact O-C 3.53Å; D234-F252 VanDerWaalsContact O-CA 3.26Å; D234-F252 WeakPolarHBondContact O-CA 3.37Å; V235-F252 HydrophobicContact CG2-CD1 3.81Å; V235-F252 HydrophobicContact CG2-CE1 3.46Å; V235-F252 VanDerWaalsContact CG2-CE1 3.46Å; V235-F252 HydrophobicContact CG2-CZ 4.16Å; V250-F252 HydrophobicContact CB-CE2 4.39Å; V250-F252 HydrophobicContact CG1-CE1 4.34Å; V250-F252 HydrophobicContact CG1-CE2 3.85Å; V250-F252 HydrophobicContact CG1-CZ 3.73Å
253	G	98.6	Very high	97.4	Very high	11 Å²	11	34.2 Å²	34.2	11%	0.113	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-63.2	155.8	170.2	0	0	0	0	0	112.2	M233 D234	M233-G253 VanDerWaalsContact CB-O 3.29Å; M233-G253 WeakPolarHBondContact CB-O 3.2Å; M233-G253 VanDerWaalsContact CG-O 3.25Å; M233-G253 WeakPolarHBondContact CG-O 3.09Å; D234-G253 PolarHBondContact O-N 3.44Å
254	T	98.8	Very high	97.8	Very high	70 Å²	70	29.9 Å²	29.9	43%	0.429	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-67.5	132	173.6	-43.7	0	0	0	0	109.9	F217 D218	F217-T254 WeakPolarHBondContact O-CA 3.47Å; D218-T254 PolarHBondContact OD1-OG1 3.04Å; D218-T254 WeakPolarHBondContact OD2-CG2 3.22Å
255	T	98.8	Very high	98	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.043	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-69.2	160.6	176.7	69.6	0	0	0	0	111.8	T216 F217 N232 M233 M258	T216-T255 WeakPolarHBondContact CG2-O 3.31Å; F217-T255 HydrophobicContact CB-CG2 3.96Å; F217-T255 PolarHBondContact N-OG1 3.36Å; F217-T255 PolarHBondContact O-N 3.5Å; N232-T255 HydrophobicContact CB-CG2 4.02Å; M233-T255 HydrophobicContact CG-CG2 3.95Å; T255-M258 HydrophobicContact CG2-CE 3.88Å; T255-M258 HydrophobicContact CG2-SD 4.03Å
256	P	98.5	Very high	98.3	Very high	31 Å²	31	21.4 Å²	21.4	20%	0.201	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-59.4	173.4	156	-19	32.6	0	0	0	112	M258 L319 W338	P256-M258 PolarHBondContact O-N 3.17Å; P256-L319 HydrophobicContact CG-CD2 3.48Å; P256-L319 VanDerWaalsContact CG-CD2 3.48Å; P256-W338 HydrophobicContact CB-CH2 4.43Å; P256-W338 HydrophobicContact CB-CZ3 4.29Å
257	I	98.6	Very high	98.5	Very high	78 Å²	78	17.3 Å²	17.3	40%	0.4	9%	0.094	S	C	.	.	S	Bend	trans	-66.9	117.3	171.5	-66.1	170.2	0	0	0	108.9	K214 A215 T216 H487	K214-I257 HydrophobicContact CB-CG2 3.53Å; K214-I257 HydrophobicContact CD-CG2 4.24Å; A215-I257 WeakPolarHBondContact O-CA 3.47Å; T216-I257 HydrophobicContact CG2-CG1 3.8Å; I257-H487 HydrophobicContact CB-CB 4.2Å; I257-H487 WeakPolarHBondContact CG2-O 3.49Å; I257-H487 PolarHBondContact O-ND1 2.85Å
258	M	98.7	Very high	98.5	Very high	1 Å²	1	16 Å²	16	1%	0.005	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-148.5	167.8	-175.8	74.3	-174	-155.9	0	0	111.9	K214 A215 F217 T255 P256 L262 V263 W338	K214-M258 CarbonylContact C-O 3.5Å; K214-M258 VanDerWaalsContact CA-O 3.23Å; K214-M258 WeakPolarHBondContact CA-O 3.39Å; K214-M258 WeakPolarHBondContact CB-O 3.35Å; A215-M258 PolarHBondContact N-O 2.85Å; A215-M258 PolarHBondContact O-N 2.88Å; F217-M258 HydrophobicContact CD2-CE 3.77Å; F217-M258 HydrophobicContact CD2-CG 3.91Å; F217-M258 HydrophobicContact CE2-CE 4.18Å; F217-M258 HydrophobicContact CE2-CG 3.84Å; F217-M258 HydrophobicContact CG-CE 4.38Å; T255-M258 HydrophobicContact CG2-CE 3.88Å; T255-M258 HydrophobicContact CG2-SD 4.03Å; P256-M258 PolarHBondContact O-N 3.17Å; M258-L262 HydrophobicContact CE-CB 4.46Å; M258-L262 HydrophobicContact SD-CB 4.45Å; M258-V263 HydrophobicContact CE-CB 4.26Å; M258-V263 HydrophobicContact CE-CG2 3.61Å; M258-W338 HydrophobicContact CB-CE3 3.62Å; M258-W338 HydrophobicContact CB-CZ3 3.78Å; M258-W338 HydrophobicContact CG-CE3 4.48Å; M258-W338 HydrophobicContact SD-CB 4.27Å; M258-W338 HydrophobicContact SD-CE3 4.08Å
259	S	98.6	Very high	98.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.			trans	-83.4	158.4	-179.8	-53.6	0	0	0	0	112.2	P211 K214 Y261 L262	P211-S259 PolarHBondContact O-OG 3.26Å; K214-S259 WeakPolarHBondContact CE-OG 3.16Å; K214-S259 WeakPolarHBondContact CG-OG 3.26Å; S259-Y261 VanDerWaalsContact C-N 3.34Å; S259-Y261 PolarHBondContact O-N 3.44Å; S259-L262 PolarHBondContact O-N 3.12Å
260	T	98.5	Very high	98.3	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.012	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-57.9	-40.4	-178.8	47.6	0	0	0	0	113.6	C207 D209 F217 L262 V263	C207-T260 HydrophobicContact CB-CG2 4.22Å; D209-T260 WeakPolarHBondContact OD1-CB 3.28Å; D209-T260 PolarHBondContact OD1-OG1 2.86Å; F217-T260 HydrophobicContact CZ-CG2 4.35Å; T260-L262 PolarHBondContact O-N 3.12Å; T260-V263 WeakPolarHBondContact O-CB 2.83Å; T260-V263 WeakPolarHBondContact O-CG2 3.42Å; T260-V263 PolarHBondContact O-N 3.46Å; T260-V263 VanDerWaalsContact O-N 3.12Å
261	Y	98	Very high	98.2	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-63.2	-14.4	-177.5	82.3	-89.8	0	0	0	114.4	E197 P211 S259 M335 G377 T381 M382 N391	E197-Y261 HydrophobicContact CB-CD2 3.82Å; E197-Y261 HydrophobicContact CG-CD2 3.79Å; E197-Y261 HydrophobicContact CG-CE2 4.25Å; E197-Y261 HydrophobicContact CG-CG 4.42Å; E197-Y261 WeakPolarHBondContact OE1-CE2 3.48Å; P211-Y261 HydrophobicContact CB-CE1 4.38Å; S259-Y261 VanDerWaalsContact C-N 3.34Å; S259-Y261 PolarHBondContact O-N 3.44Å; Y261-M335 HydrophobicContact CD2-CE 3.67Å; Y261-M335 HydrophobicContact CE2-CE 3.89Å; Y261-G377 PolarHBondContact OH-O 3.3Å; Y261-G377 VanDerWaalsContact OH-O 3.07Å; Y261-T381 HydrophobicContact CE1-CG2 3.9Å; Y261-M382 HydrophobicContact CE1-CE 4.48Å; Y261-N391 PolarHBondContact OH-ND2 3.21Å
262	L	98.8	Very high	98.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-97.2	-3.6	-179.8	-63	173.5	0	0	0	113.8	N232 M258 S259 T260 A264 M335 E336 N378	N232-L262 PolarHBondContact ND2-O 3.28Å; M258-L262 HydrophobicContact CE-CB 4.46Å; M258-L262 HydrophobicContact SD-CB 4.45Å; S259-L262 PolarHBondContact O-N 3.12Å; T260-L262 PolarHBondContact O-N 3.12Å; L262-A264 PolarHBondContact O-N 3.08Å; L262-M335 HydrophobicContact CD2-CE 4.07Å; L262-E336 HydrophobicContact CD2-CG 3.76Å; L262-N378 HydrophobicContact CD1-CB 4.23Å; L262-N378 WeakPolarHBondContact CD1-OD1 3.31Å; L262-N378 WeakPolarHBondContact CD2-OD1 3.34Å
263	V	98.9	Very high	98.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.			trans	-68.5	129.5	173	176.7	0	0	0	0	108.5	F196 F205 F217 I219 M258 T260 F265	F196-V263 HydrophobicContact CD2-CB 4.05Å; F196-V263 WeakPolarHBondContact CD2-O 3.32Å; F196-V263 HydrophobicContact CE2-CB 3.86Å; F196-V263 HydrophobicContact CE2-CG1 3.97Å; F196-V263 WeakPolarHBondContact CE2-O 3.21Å; F205-V263 HydrophobicContact CE1-CG1 4.21Å; F205-V263 HydrophobicContact CZ-CB 4.5Å; F205-V263 HydrophobicContact CZ-CG1 4.43Å; F205-V263 HydrophobicContact CZ-CG2 4.29Å; F217-V263 HydrophobicContact CD1-CG2 3.53Å; F217-V263 HydrophobicContact CD2-CG2 3.93Å; F217-V263 HydrophobicContact CE1-CG2 3.45Å; F217-V263 VanDerWaalsContact CE1-CG2 3.45Å; F217-V263 HydrophobicContact CE2-CG2 3.85Å; F217-V263 HydrophobicContact CG-CG2 3.8Å; F217-V263 HydrophobicContact CZ-CG2 3.61Å; I219-V263 HydrophobicContact CD1-CG1 3.93Å; M258-V263 HydrophobicContact CE-CB 4.26Å; M258-V263 HydrophobicContact CE-CG2 3.61Å; T260-V263 WeakPolarHBondContact O-CB 2.83Å; T260-V263 WeakPolarHBondContact O-CG2 3.42Å; T260-V263 PolarHBondContact O-N 3.46Å; T260-V263 VanDerWaalsContact O-N 3.12Å; V263-F265 HydrophobicContact CG1-CD1 4.25Å; V263-F265 HydrophobicContact CG1-CE1 3.93Å
264	A	98.8	Very high	98.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.			trans	-140.3	149.1	177.9	0	0	0	0	0	113.2	T194 S231 N232 L262 N337 L340	T194-A264 VanDerWaalsContact OG1-CA 3.26Å; T194-A264 WeakPolarHBondContact OG1-CA 3.38Å; T194-A264 WeakPolarHBondContact OG1-CB 3.36Å; S231-A264 VanDerWaalsContact CA-O 3.23Å; S231-A264 WeakPolarHBondContact CA-O 3.19Å; S231-A264 WeakPolarHBondContact CB-O 3.47Å; S231-A264 PolarHBondContact OG-O 2.98Å; N232-A264 PolarHBondContact OD1-N 2.97Å; N232-A264 PolarHBondContact OD1-O 2.97Å; L262-A264 PolarHBondContact O-N 3.08Å; A264-N337 HydrophobicContact CB-CB 3.42Å; A264-N337 VanDerWaalsContact CB-CB 3.42Å; A264-L340 HydrophobicContact CB-CB 4.43Å; A264-L340 HydrophobicContact CB-CD2 4.18Å; A264-L340 HydrophobicContact CB-CG 4.46Å
265	F	98.3	Very high	98.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	142.4	169.4	35.6	-90.8	0	0	0	111.5	L84 F176 T194 F196 A204 L221 L230 V263 I267	L84-F265 HydrophobicContact CD1-CD2 4.26Å; L84-F265 HydrophobicContact CD1-CE1 3.79Å; L84-F265 HydrophobicContact CD1-CE2 3.46Å; L84-F265 VanDerWaalsContact CD1-CE2 3.46Å; L84-F265 HydrophobicContact CD1-CZ 3.19Å; F176-F265 HydrophobicContact CB-CE2 4.5Å; F176-F265 AromaticContact CD1-CE2 3.86Å; F176-F265 HydrophobicContact CD1-CE2 3.86Å; F176-F265 AromaticContact CD2-CD2 3.98Å; F176-F265 HydrophobicContact CD2-CD2 3.98Å; F176-F265 AromaticContact CD2-CE2 3.57Å; F176-F265 HydrophobicContact CD2-CE2 3.57Å; F176-F265 HydrophobicContact CE1-CD2 4.41Å; F176-F265 AromaticContact CE1-CE2 3.83Å; F176-F265 HydrophobicContact CE1-CE2 3.83Å; F176-F265 AromaticContact CE2-CD2 3.55Å; F176-F265 HydrophobicContact CE2-CD2 3.55Å; F176-F265 AromaticContact CE2-CE2 3.52Å; F176-F265 HydrophobicContact CE2-CE2 3.52Å; F176-F265 AromaticContact CG-CE2 3.75Å; F176-F265 HydrophobicContact CG-CE2 3.75Å; F176-F265 AromaticContact CZ-CD2 3.8Å; F176-F265 HydrophobicContact CZ-CD2 3.8Å; F176-F265 AromaticContact CZ-CE2 3.66Å; F176-F265 HydrophobicContact CZ-CE2 3.66Å; T194-F265 HydrophobicContact CG2-CD1 4.08Å; T194-F265 HydrophobicContact CG2-CD2 3.47Å; T194-F265 VanDerWaalsContact CG2-CD2 3.47Å; T194-F265 HydrophobicContact CG2-CE1 3.99Å; T194-F265 HydrophobicContact CG2-CE2 3.37Å; T194-F265 HydrophobicContact CG2-CG 3.83Å; T194-F265 HydrophobicContact CG2-CZ 3.63Å; T194-F265 PolarHBondContact N-O 2.92Å; T194-F265 PolarHBondContact OG1-N 3Å; T194-F265 PolarHBondContact OG1-O 3.23Å; F196-F265 HydrophobicContact CE2-CE1 4.39Å; F196-F265 HydrophobicContact CZ-CE1 4.21Å; F196-F265 AromaticContact CZ-CZ 3.94Å; F196-F265 HydrophobicContact CZ-CZ 3.94Å; A204-F265 HydrophobicContact CB-CZ 4.31Å; L221-F265 HydrophobicContact CD1-CB 3.82Å; L221-F265 HydrophobicContact CD2-CB 4.26Å; L221-F265 HydrophobicContact CD2-CD2 4.34Å; L221-F265 HydrophobicContact CD2-CG 4.22Å; L230-F265 WeakPolarHBondContact O-CA 3.16Å; L230-F265 WeakPolarHBondContact O-CB 3.03Å; V263-F265 HydrophobicContact CG1-CD1 4.25Å; V263-F265 HydrophobicContact CG1-CE1 3.93Å; F265-I267 HydrophobicContact CD2-CD1 4.36Å
266	V	98.6	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131	-179.8	-179.5	0	0	0	0	109.9	A192 V193 A229 L230 Y270 I325 I327 L340 T342	A192-V266 WeakPolarHBondContact O-CA 3.45Å; V193-V266 HydrophobicContact CG1-CG2 4.21Å; V193-V266 HydrophobicContact CG2-CG1 4.34Å; A229-V266 WeakPolarHBondContact CA-O 3.35Å; L230-V266 PolarHBondContact N-O 3.27Å; L230-V266 PolarHBondContact O-N 2.9Å; V266-Y270 HydrophobicContact CG1-CE2 3.74Å; V266-I325 HydrophobicContact CB-CD1 4.35Å; V266-I325 HydrophobicContact CG1-CD1 3.85Å; V266-I327 HydrophobicContact CG1-CD1 4.27Å; V266-I327 HydrophobicContact CG2-CD1 4.36Å; V266-L340 HydrophobicContact CG2-CD2 4.25Å; V266-T342 HydrophobicContact CG2-CG2 4.36Å
267	I	98.6	Very high	98	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	115.3	179.2	-54	80.5	0	0	0	108.6	P86 L88 F176 A191 A192 L221 V223 R227 V228 F265	P86-I267 HydrophobicContact CG-CD1 4.24Å; P86-I267 HydrophobicContact CG-CG1 4.19Å; L88-I267 HydrophobicContact CD1-CG2 4.49Å; F176-I267 HydrophobicContact CE2-CD1 4Å; F176-I267 HydrophobicContact CZ-CD1 3.84Å; A191-I267 CarbonylContact C-O 3.59Å; A191-I267 WeakPolarHBondContact CA-O 3.44Å; A191-I267 WeakPolarHBondContact CB-O 3.26Å; A192-I267 HydrophobicContact CB-CB 4.47Å; A192-I267 HydrophobicContact CB-CD1 4.36Å; A192-I267 PolarHBondContact N-O 2.9Å; A192-I267 PolarHBondContact O-N 3.44Å; L221-I267 HydrophobicContact CD1-CD1 4.15Å; L221-I267 HydrophobicContact CD1-CG1 4.3Å; V223-I267 HydrophobicContact CB-CG2 4.07Å; V223-I267 HydrophobicContact CG1-CB 4.44Å; V223-I267 HydrophobicContact CG1-CG1 3.7Å; V223-I267 HydrophobicContact CG1-CG2 3.77Å; R227-I267 HydrophobicContact CB-CG2 3.99Å; R227-I267 HydrophobicContact CG-CG2 4.39Å; V228-I267 WeakPolarHBondContact O-CA 3.5Å; F265-I267 HydrophobicContact CD2-CD1 4.36Å
268	G	97	Very high	97.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-165	-176.1	0	0	0	0	0	115.5	R227 V228	R227-G268 WeakPolarHBondContact CA-O 3.49Å; R227-G268 WeakPolarHBondContact CD-O 3.46Å; V228-G268 PolarHBondContact N-O 3.33Å; V228-G268 PolarHBondContact O-N 3.48Å; V228-G268 VanDerWaalsContact O-N 3.07Å
269	E	95.8	Very high	97.5	Very high	28 Å²	28	32.3 Å²	32.3	13%	0.131	17%	0.172	C	C	.	.			trans	-108.5	108.1	177.7	-61.2	178.6	-177.9	0	0	109.1	Y181 R189 R227 V289	Y181-E269 HydrophobicContact CE2-CB 4.47Å; Y181-E269 WeakPolarHBondContact OH-CB 3.21Å; Y181-E269 WeakPolarHBondContact OH-CG 3.33Å; R189-E269 WeakPolarHBondContact CD-OE1 3.43Å; R189-E269 VanDerWaalsContact CD-OE2 3.28Å; R189-E269 WeakPolarHBondContact CD-OE2 3.23Å; R189-E269 IonicContact CZ-OE1 2.62Å; R189-E269 IonicContact CZ-OE2 2.72Å; R189-E269 IonicContact NE-OE1 2.72Å; R189-E269 IonicContact NE-OE2 2.9Å; R189-E269 IonicContact NH1-OE1 2.67Å; R189-E269 PolarHBondContact NH1-OE1 3.48Å; R189-E269 IonicContact NH1-OE2 2.68Å; R189-E269 PolarHBondContact NH1-OE2 2.84Å; R227-E269 IonicContact CZ-OE1 2.75Å; R227-E269 IonicContact NE-OE1 3.39Å; R227-E269 IonicContact NH1-OE1 2.93Å; R227-E269 PolarHBondContact NH1-OE1 2.72Å; R227-E269 IonicContact NH2-OE1 3.26Å; R227-E269 PolarHBondContact NH2-OE1 2.95Å; R227-E269 VanDerWaalsContact NH2-OE1 3.16Å; E269-V289 HydrophobicContact CB-CG2 4.04Å
270	Y	97	Very high	97.4	Very high	23 Å²	23	34 Å²	34	9%	0.09	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	138.2	-174.7	-61.5	-83.1	0	0	0	111.4	V266 T287 I325	V266-Y270 HydrophobicContact CG1-CE2 3.74Å; Y270-T287 WeakPolarHBondContact CA-O 3.41Å; Y270-I325 HydrophobicContact CD1-CD1 4Å; Y270-I325 HydrophobicContact CD1-CG1 4.3Å; Y270-I325 HydrophobicContact CD2-CD1 4.04Å; Y270-I325 HydrophobicContact CE1-CD1 3.87Å; Y270-I325 HydrophobicContact CE1-CG1 4.09Å; Y270-I325 HydrophobicContact CE2-CD1 3.91Å; Y270-I325 HydrophobicContact CG-CD1 4.09Å
271	D	96.9	Very high	97.4	Very high	61 Å²	61	35.1 Å²	35.1	33%	0.326	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	169.7	158.8	-70.5	-31.5	0	0	0	109.4	Y286 T287 V289 G290 A292	D271-Y286 CarbonylContact O-C 3.51Å; D271-Y286 WeakPolarHBondContact O-CA 3.34Å; D271-T287 PolarHBondContact N-O 3.36Å; D271-T287 PolarHBondContact O-N 3.42Å; D271-V289 WeakPolarHBondContact OD2-CA 3.47Å; D271-G290 PolarHBondContact OD2-N 2.94Å; D271-A292 HydrophobicContact CB-CB 3.96Å
272	F	98.4	Very high	97.4	Very high	97 Å²	97	38.7 Å²	38.7	43%	0.425	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	159.8	170.1	66.4	-81.5	0	0	0	113.1	E274 R284 V285 Y286	F272-E274 HydrophobicContact CD2-CB 4.11Å; F272-E274 HydrophobicContact CE2-CB 3.98Å; F272-R284 HydrophobicContact CD2-CB 4.41Å; F272-R284 HydrophobicContact CD2-CG 4.07Å; F272-R284 HydrophobicContact CE2-CG 4.42Å; F272-V285 CarbonylContact C-O 3.51Å; F272-V285 WeakPolarHBondContact CA-O 3.14Å; F272-V285 WeakPolarHBondContact CB-O 3.25Å; F272-Y286 HydrophobicContact CB-CD1 3.69Å; F272-Y286 HydrophobicContact CB-CD2 4.38Å; F272-Y286 HydrophobicContact CB-CE1 3.82Å; F272-Y286 HydrophobicContact CB-CE2 4.48Å; F272-Y286 HydrophobicContact CB-CG 3.98Å; F272-Y286 HydrophobicContact CD1-CD1 4.35Å; F272-Y286 AromaticContact CD1-CE1 3.77Å; F272-Y286 HydrophobicContact CD1-CE1 3.77Å; F272-Y286 HydrophobicContact CG-CD1 4.34Å; F272-Y286 AromaticContact CG-CE1 3.95Å; F272-Y286 HydrophobicContact CG-CE1 3.95Å
273	V	98.7	Very high	97.4	Very high	20 Å²	20	38.7 Å²	38.7	12%	0.121	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	142.4	159.9	-73	0	0	0	0	109.4	R284 V285 A292 K296 L299	V273-R284 CarbonylContact O-C 3.54Å; V273-R284 VanDerWaalsContact O-CA 3.31Å; V273-R284 WeakPolarHBondContact O-CA 3.49Å; V273-V285 HydrophobicContact CG2-CB 3.93Å; V273-V285 PolarHBondContact N-O 3.32Å; V273-V285 PolarHBondContact O-N 2.92Å; V273-A292 HydrophobicContact CG1-CB 4.21Å; V273-A292 WeakPolarHBondContact CG1-O 3.45Å; V273-K296 HydrophobicContact CG1-CG 4.09Å; V273-K296 HydrophobicContact CG2-CG 4.43Å; V273-L299 HydrophobicContact CB-CD2 3.81Å; V273-L299 HydrophobicContact CG2-CB 4.28Å; V273-L299 HydrophobicContact CG2-CD2 3.71Å
274	E	98.6	Very high	97.4	Very high	92 Å²	92	40.8 Å²	40.8	43%	0.43	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.1	-178	-178.3	169.9	109	0	0	111.1	F272 K282 V283 R284	F272-E274 HydrophobicContact CD2-CB 4.11Å; F272-E274 HydrophobicContact CE2-CB 3.98Å; E274-K282 HydrophobicContact CG-CG 4.44Å; E274-K282 IonicContact OE1-NZ 2.82Å; E274-K282 PolarHBondContact OE1-NZ 3.4Å; E274-K282 WeakPolarHBondContact OE2-CD 3.38Å; E274-K282 WeakPolarHBondContact OE2-CE 3.38Å; E274-K282 IonicContact OE2-NZ 3.35Å; E274-K282 PolarHBondContact OE2-NZ 3.15Å; E274-V283 WeakPolarHBondContact CA-O 3.31Å; E274-R284 HydrophobicContact CB-CG 3.97Å; E274-R284 HydrophobicContact CG-CG 3.86Å; E274-R284 VanDerWaalsContact OE2-CD 3.29Å; E274-R284 WeakPolarHBondContact OE2-CD 3.42Å; E274-R284 WeakPolarHBondContact OE2-CG 3.34Å
275	S	98.3	Very high	97.4	Very high	54 Å²	54	40.8 Å²	40.8	38%	0.378	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	-175.9	167.7	-169.9	0	0	0	0	109.5	V283	S275-V283 PolarHBondContact N-O 3Å; S275-V283 PolarHBondContact O-N 3.5Å; S275-V283 VanDerWaalsContact O-O 3.12Å
276	Q	97.5	Very high	97.4	Very high	127 Å²	127	41.2 Å²	41.2	59%	0.593	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.7	174.3	-160.5	172.4	20.7	0	0	108.7	G280 I281	Q276-G280 WeakPolarHBondContact CG-O 3.24Å; Q276-G280 PolarHBondContact NE2-O 3.21Å; Q276-I281 CarbonylContact C-O 3.57Å; Q276-I281 WeakPolarHBondContact CA-O 3.41Å; Q276-I281 WeakPolarHBondContact CG-O 3.38Å
277	S	95.8	Very high	97.4	Very high	7 Å²	7	41.2 Å²	41.2	5%	0.049	22%	0.221	C	C	.	.			trans	-68.7	164.4	170.5	75.8	0	0	0	0	110.6	D279 G280 I281	S277-D279 PolarHBondContact O-N 3.48Å; S277-D279 VanDerWaalsContact O-N 3.09Å; S277-D279 PolarHBondContact OG-N 3.03Å; S277-G280 PolarHBondContact O-N 3.24Å; S277-I281 PolarHBondContact N-O 3.23Å; S277-I281 PolarHBondContact OG-N 3.23Å
278	S	95.1	Very high	97.2	Very high	103 Å²	103	42.6 Å²	42.6	72%	0.72	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18	175.3	54.3	0	0	0	0	113.8	G280 P307	S278-G280 VanDerWaalsContact C-N 3.35Å; S278-P307 WeakPolarHBondContact OG-CG 3.2Å
279	D	91.9	Very high	97	Very high	63 Å²	63	46.7 Å²	46.7	34%	0.337	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	2.1	175.9	-62.4	-45.3	0	0	0	113.6	S277 P307 K310	S277-D279 PolarHBondContact O-N 3.48Å; S277-D279 VanDerWaalsContact O-N 3.09Å; S277-D279 PolarHBondContact OG-N 3.03Å; D279-P307 VanDerWaalsContact OD2-CA 3.26Å; D279-P307 WeakPolarHBondContact OD2-CA 3.17Å; D279-P307 WeakPolarHBondContact OD2-CB 3.32Å; D279-K310 HydrophobicContact CB-CD 4.49Å; D279-K310 VanDerWaalsContact CG-CE 3.43Å; D279-K310 WeakPolarHBondContact OD1-CE 3.19Å; D279-K310 IonicContact OD1-NZ 2.74Å; D279-K310 PolarHBondContact OD1-NZ 3.3Å; D279-K310 WeakPolarHBondContact OD2-CD 3.39Å; D279-K310 WeakPolarHBondContact OD2-CE 3.5Å; D279-K310 IonicContact OD2-NZ 3.5Å; D279-K310 PolarHBondContact OD2-NZ 2.89Å
280	G	95.7	Very high	96.8	Very high	35 Å²	35	48.7 Å²	48.7	36%	0.361	28%	0.282	S	S	.	.	S	Bend	trans	88	1.9	178.1	0	0	0	0	0	115.2	Q276 S277 S278 K282	Q276-G280 WeakPolarHBondContact CG-O 3.24Å; Q276-G280 PolarHBondContact NE2-O 3.21Å; S277-G280 PolarHBondContact O-N 3.24Å; S278-G280 VanDerWaalsContact C-N 3.35Å; G280-K282 PolarHBondContact O-N 3.14Å
281	I	97.9	Very high	96.7	Very high	26 Å²	26	49 Å²	49	13%	0.133	28%	0.284	C	S	.	.			trans	-71.6	129.6	177.7	-49.3	-55.3	0	0	0	109.5	Q276 S277 L306 Y317	Q276-I281 CarbonylContact C-O 3.57Å; Q276-I281 WeakPolarHBondContact CA-O 3.41Å; Q276-I281 WeakPolarHBondContact CG-O 3.38Å; S277-I281 PolarHBondContact N-O 3.23Å; S277-I281 PolarHBondContact OG-N 3.23Å; I281-L306 HydrophobicContact CB-CD1 4.13Å; I281-L306 HydrophobicContact CG2-CD1 3.99Å; I281-Y317 HydrophobicContact CD1-CD1 4.23Å; I281-Y317 HydrophobicContact CG1-CD1 4.21Å; I281-Y317 HydrophobicContact CG2-CD1 3.84Å; I281-Y317 HydrophobicContact CG2-CE1 4Å
282	K	98.6	Very high	96.6	Very high	77 Å²	77	47.1 Å²	47.1	34%	0.335	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	127.8	172.9	170.3	171.3	-72.7	-125.9	0	109.8	E274 G280 R284 P320 K321 I322	E274-K282 HydrophobicContact CG-CG 4.44Å; E274-K282 IonicContact OE1-NZ 2.82Å; E274-K282 PolarHBondContact OE1-NZ 3.4Å; E274-K282 WeakPolarHBondContact OE2-CD 3.38Å; E274-K282 WeakPolarHBondContact OE2-CE 3.38Å; E274-K282 IonicContact OE2-NZ 3.35Å; E274-K282 PolarHBondContact OE2-NZ 3.15Å; G280-K282 PolarHBondContact O-N 3.14Å; K282-R284 HydrophobicContact CG-CG 4.41Å; K282-P320 PolarHBondContact N-O 3.27Å; K282-K321 HydrophobicContact CB-CB 4Å; K282-K321 HydrophobicContact CD-CB 4.5Å; K282-K321 HydrophobicContact CG-CB 4.25Å; K282-K321 CarbonylContact O-C 3.55Å; K282-K321 VanDerWaalsContact O-CA 3.23Å; K282-K321 WeakPolarHBondContact O-CA 3.29Å; K282-I322 PolarHBondContact O-N 2.92Å
283	V	98.8	Very high	96.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.9	177.7	-172	0	0	0	0	109	E274 S275 L299 A302 L306 I322 L324	E274-V283 WeakPolarHBondContact CA-O 3.31Å; S275-V283 PolarHBondContact N-O 3Å; S275-V283 PolarHBondContact O-N 3.5Å; S275-V283 VanDerWaalsContact O-O 3.12Å; V283-L299 HydrophobicContact CB-CD1 3.87Å; V283-L299 HydrophobicContact CG1-CD1 3.61Å; V283-L299 WeakPolarHBondContact O-CD1 3.37Å; V283-A302 HydrophobicContact CG1-CB 3.74Å; V283-L306 HydrophobicContact CG2-CD1 4.01Å; V283-I322 WeakPolarHBondContact CA-O 3.39Å; V283-I322 HydrophobicContact CG1-CG2 4.22Å; V283-I322 HydrophobicContact CG2-CG2 4.15Å; V283-L324 HydrophobicContact CG1-CD1 4.18Å
284	R	98.8	Very high	96.4	Very high	44 Å²	44	48.4 Å²	48.4	17%	0.166	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.3	173.8	-66.1	-179.4	-68.6	-168.5	9.1	111.2	F272 V273 E274 K282 Y286 I322 D323 L324	F272-R284 HydrophobicContact CD2-CB 4.41Å; F272-R284 HydrophobicContact CD2-CG 4.07Å; F272-R284 HydrophobicContact CE2-CG 4.42Å; V273-R284 CarbonylContact O-C 3.54Å; V273-R284 VanDerWaalsContact O-CA 3.31Å; V273-R284 WeakPolarHBondContact O-CA 3.49Å; E274-R284 HydrophobicContact CB-CG 3.97Å; E274-R284 HydrophobicContact CG-CG 3.86Å; E274-R284 VanDerWaalsContact OE2-CD 3.29Å; E274-R284 WeakPolarHBondContact OE2-CD 3.42Å; E274-R284 WeakPolarHBondContact OE2-CG 3.34Å; K282-R284 HydrophobicContact CG-CG 4.41Å; R284-Y286 HydrophobicContact CB-CD2 4.21Å; R284-Y286 HydrophobicContact CB-CE2 3.76Å; R284-Y286 PolarHBondContact NE-OH 2.91Å; R284-Y286 PolarHBondContact NH1-OH 3.43Å; R284-Y286 VanDerWaalsContact NH1-OH 3.15Å; R284-I322 PolarHBondContact N-O 3.23Å; R284-I322 VanDerWaalsContact N-O 3.09Å; R284-D323 IonicContact CZ-OD1 2.7Å; R284-D323 IonicContact CZ-OD2 3.99Å; R284-D323 IonicContact NE-OD1 3.19Å; R284-D323 PolarHBondContact NE-OD1 3.03Å; R284-D323 IonicContact NH2-OD1 2.64Å; R284-D323 PolarHBondContact NH2-OD1 3.31Å; R284-D323 IonicContact NH2-OD2 3.12Å; R284-D323 PolarHBondContact NH2-OD2 3.01Å; R284-L324 PolarHBondContact O-N 3.49Å
285	V	98.9	Very high	96.4	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	111.7	169	-179.5	0	0	0	0	108.6	F272 V273 T287 A298 L299 L324 L348	F272-V285 CarbonylContact C-O 3.51Å; F272-V285 WeakPolarHBondContact CA-O 3.14Å; F272-V285 WeakPolarHBondContact CB-O 3.25Å; V273-V285 HydrophobicContact CG2-CB 3.93Å; V273-V285 PolarHBondContact N-O 3.32Å; V273-V285 PolarHBondContact O-N 2.92Å; V285-T287 HydrophobicContact CG1-CG2 4.33Å; V285-A298 HydrophobicContact CG1-CB 4.45Å; V285-A298 HydrophobicContact CG2-CB 4.18Å; V285-L299 HydrophobicContact CG2-CB 3.76Å; V285-L299 HydrophobicContact CG2-CD1 4.29Å; V285-L324 CarbonylContact C-O 3.55Å; V285-L324 WeakPolarHBondContact CA-O 3.46Å; V285-L324 HydrophobicContact CG2-CB 4.27Å; V285-L324 HydrophobicContact CG2-CD2 4.49Å; V285-L348 HydrophobicContact CG1-CD1 4.39Å; V285-L348 HydrophobicContact CG1-CD2 3.82Å; V285-L348 HydrophobicContact CG1-CG 3.96Å
286	Y	98.8	Very high	96.4	Very high	9 Å²	9	46 Å²	46	4%	0.035	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	135.1	177.4	-74.7	-91.2	0	0	0	111.1	V228 L230 D271 F272 R284 D323 L324 I325 A326	V228-Y286 HydrophobicContact CG1-CD1 4.49Å; V228-Y286 HydrophobicContact CG1-CE1 3.95Å; L230-Y286 HydrophobicContact CD1-CD1 4.07Å; L230-Y286 HydrophobicContact CD1-CD2 3.75Å; L230-Y286 HydrophobicContact CD1-CE1 4.13Å; L230-Y286 HydrophobicContact CD1-CE2 3.81Å; L230-Y286 HydrophobicContact CD1-CG 3.89Å; L230-Y286 HydrophobicContact CD2-CE1 3.99Å; L230-Y286 HydrophobicContact CD2-CE2 3.94Å; L230-Y286 WeakPolarHBondContact CD2-OH 3.3Å; D271-Y286 CarbonylContact O-C 3.51Å; D271-Y286 WeakPolarHBondContact O-CA 3.34Å; F272-Y286 HydrophobicContact CB-CD1 3.69Å; F272-Y286 HydrophobicContact CB-CD2 4.38Å; F272-Y286 HydrophobicContact CB-CE1 3.82Å; F272-Y286 HydrophobicContact CB-CE2 4.48Å; F272-Y286 HydrophobicContact CB-CG 3.98Å; F272-Y286 HydrophobicContact CD1-CD1 4.35Å; F272-Y286 AromaticContact CD1-CE1 3.77Å; F272-Y286 HydrophobicContact CD1-CE1 3.77Å; F272-Y286 HydrophobicContact CG-CD1 4.34Å; F272-Y286 AromaticContact CG-CE1 3.95Å; F272-Y286 HydrophobicContact CG-CE1 3.95Å; R284-Y286 HydrophobicContact CB-CD2 4.21Å; R284-Y286 HydrophobicContact CB-CE2 3.76Å; R284-Y286 PolarHBondContact NE-OH 2.91Å; R284-Y286 PolarHBondContact NH1-OH 3.43Å; R284-Y286 VanDerWaalsContact NH1-OH 3.15Å; Y286-D323 HydrophobicContact CD2-CB 4.19Å; Y286-D323 HydrophobicContact CE2-CB 4.02Å; Y286-L324 PolarHBondContact N-O 3.09Å; Y286-I325 HydrophobicContact CG-CD1 4.34Å; Y286-A326 PolarHBondContact O-N 3.02Å
287	T	97.4	Very high	96.4	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155.3	-171.7	67.2	0	0	0	0	110.7	Y270 D271 V285 A292 L349	Y270-T287 WeakPolarHBondContact CA-O 3.41Å; D271-T287 PolarHBondContact N-O 3.36Å; D271-T287 PolarHBondContact O-N 3.42Å; V285-T287 HydrophobicContact CG1-CG2 4.33Å; T287-A292 VanDerWaalsContact OG1-CA 3.24Å; T287-A292 WeakPolarHBondContact OG1-CA 3.35Å; T287-A292 PolarHBondContact OG1-N 3.36Å; T287-A292 VanDerWaalsContact OG1-N 3.14Å; T287-L349 HydrophobicContact CG2-CD2 3.63Å
288	P	94.5	Very high	96.5	Very high	29 Å²	29	40.7 Å²	40.7	19%	0.188	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	144.2	165.8	-24.9	34.2	0	0	0	111.6	G290 K291 E345	P288-G290 PolarHBondContact O-N 2.94Å; P288-K291 HydrophobicContact CB-CD 4.37Å; P288-K291 WeakPolarHBondContact O-CB 3.42Å; P288-K291 PolarHBondContact O-N 2.71Å; P288-E345 HydrophobicContact CG-CG 4.48Å
289	V	93.9	Very high	96.7	Very high	85 Å²	85	36.5 Å²	36.5	52%	0.515	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	131.7	-176.7	-178.7	0	0	0	0	111.1	E269 D271	E269-V289 HydrophobicContact CB-CG2 4.04Å; D271-V289 WeakPolarHBondContact OD2-CA 3.47Å
290	G	92.4	Very high	97	Very high	70 Å²	70	38 Å²	38	72%	0.722	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.9	-7.3	-173.5	0	0	0	0	0	115.1	D271 P288	D271-G290 PolarHBondContact OD2-N 2.94Å; P288-G290 PolarHBondContact O-N 2.94Å
291	K	93.2	Very high	97.1	Very high	30 Å²	30	36.4 Å²	36.4	13%	0.13	20%	0.196	C	C	.	.			trans	-109.8	11.6	-173.5	-57.7	-168.2	177.4	-180	0	115.1	P288 E293 Q294 D788	P288-K291 HydrophobicContact CB-CD 4.37Å; P288-K291 WeakPolarHBondContact O-CB 3.42Å; P288-K291 PolarHBondContact O-N 2.71Å; K291-E293 VanDerWaalsContact C-N 3.26Å; K291-E293 PolarHBondContact O-N 3.4Å; K291-E293 VanDerWaalsContact O-N 3.1Å; K291-Q294 WeakPolarHBondContact O-CB 3.35Å; K291-Q294 PolarHBondContact O-N 3.18Å; K291-D788 WeakPolarHBondContact CE-OD1 3.47Å; K291-D788 WeakPolarHBondContact CE-OD2 3.3Å; K291-D788 VanDerWaalsContact NZ-CG 3.27Å; K291-D788 PolarHBondContact NZ-O 2.99Å; K291-D788 IonicContact NZ-OD1 3.32Å; K291-D788 PolarHBondContact NZ-OD1 3.46Å; K291-D788 IonicContact NZ-OD2 3.13Å; K291-D788 PolarHBondContact NZ-OD2 2.64Å
292	A	96	Very high	97.1	Very high	21 Å²	21	35.1 Å²	35.1	17%	0.174	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-50.1	-39.2	-177.5	0	0	0	0	0	114.7	D271 V273 T287 Q294 G295	D271-A292 HydrophobicContact CB-CB 3.96Å; V273-A292 HydrophobicContact CG1-CB 4.21Å; V273-A292 WeakPolarHBondContact CG1-O 3.45Å; T287-A292 VanDerWaalsContact OG1-CA 3.24Å; T287-A292 WeakPolarHBondContact OG1-CA 3.35Å; T287-A292 PolarHBondContact OG1-N 3.36Å; T287-A292 VanDerWaalsContact OG1-N 3.14Å; A292-Q294 PolarHBondContact O-N 2.86Å; A292-G295 PolarHBondContact O-N 2.9Å; A292-G295 VanDerWaalsContact O-N 3.11Å
293	E	95.5	Very high	97.1	Very high	122 Å²	122	32.5 Å²	32.5	57%	0.57	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-57.1	-30.1	176.4	-69.4	-65.9	124.1	0	0	113.3	K291 G295 K296	K291-E293 VanDerWaalsContact C-N 3.26Å; K291-E293 PolarHBondContact O-N 3.4Å; K291-E293 VanDerWaalsContact O-N 3.1Å; E293-G295 VanDerWaalsContact C-N 3.32Å; E293-G295 PolarHBondContact O-N 2.99Å; E293-K296 WeakPolarHBondContact O-CB 3.4Å; E293-K296 WeakPolarHBondContact O-CG 3.4Å; E293-K296 PolarHBondContact O-N 3.04Å; E293-K296 VanDerWaalsContact OE1-CE 3.23Å; E293-K296 WeakPolarHBondContact OE1-CE 3.26Å; E293-K296 IonicContact OE1-NZ 2.67Å; E293-K296 PolarHBondContact OE1-NZ 2.86Å; E293-K296 WeakPolarHBondContact OE2-CE 3.31Å; E293-K296 IonicContact OE2-NZ 3.64Å; E293-K296 PolarHBondContact OE2-NZ 3.16Å
294	Q	96.6	Very high	97.1	Very high	22 Å²	22	36 Å²	36	10%	0.103	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-75.5	-20.4	-178.6	-58	177.3	-5.5	0	0	112.7	K291 A292 K296 L349 I350 D351	K291-Q294 WeakPolarHBondContact O-CB 3.35Å; K291-Q294 PolarHBondContact O-N 3.18Å; A292-Q294 PolarHBondContact O-N 2.86Å; Q294-K296 VanDerWaalsContact C-N 3.31Å; Q294-L349 HydrophobicContact CB-CB 4.04Å; Q294-L349 HydrophobicContact CB-CD2 4.38Å; Q294-I350 VanDerWaalsContact CA-O 3.31Å; Q294-I350 WeakPolarHBondContact CA-O 3.41Å; Q294-I350 PolarHBondContact O-N 3.12Å; Q294-D351 HydrophobicContact CG-CB 4.41Å
295	G	97.9	Very high	97	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-77.9	-11	175.2	0	0	0	0	0	114.3	A292 E293 F297 A298 L299	A292-G295 PolarHBondContact O-N 2.9Å; A292-G295 VanDerWaalsContact O-N 3.11Å; E293-G295 VanDerWaalsContact C-N 3.32Å; E293-G295 PolarHBondContact O-N 2.99Å; G295-F297 VanDerWaalsContact C-N 3.33Å; G295-F297 PolarHBondContact O-N 3.26Å; G295-A298 PolarHBondContact O-N 2.87Å; G295-L299 PolarHBondContact O-N 2.86Å
296	K	98.3	Very high	96.9	Very high	97 Å²	97	34.1 Å²	34.1	42%	0.422	19%	0.189	S	C	.	.	H	α-helix	trans	-63.1	-33.3	-173.3	-73.1	-176.7	175.8	173.3	0	114.3	V273 E293 Q294 L299 E300	V273-K296 HydrophobicContact CG1-CG 4.09Å; V273-K296 HydrophobicContact CG2-CG 4.43Å; E293-K296 WeakPolarHBondContact O-CB 3.4Å; E293-K296 WeakPolarHBondContact O-CG 3.4Å; E293-K296 PolarHBondContact O-N 3.04Å; E293-K296 VanDerWaalsContact OE1-CE 3.23Å; E293-K296 WeakPolarHBondContact OE1-CE 3.26Å; E293-K296 IonicContact OE1-NZ 2.67Å; E293-K296 PolarHBondContact OE1-NZ 2.86Å; E293-K296 WeakPolarHBondContact OE2-CE 3.31Å; E293-K296 IonicContact OE2-NZ 3.64Å; E293-K296 PolarHBondContact OE2-NZ 3.16Å; Q294-K296 VanDerWaalsContact C-N 3.31Å; K296-L299 PolarHBondContact O-N 3.39Å; K296-E300 PolarHBondContact O-N 3.5Å
297	F	98.3	Very high	96.8	Very high	21 Å²	21	34.3 Å²	34.3	9%	0.092	19%	0.191	C	C	.	.	H	α-helix	trans	-69.8	-48	177.8	-179.1	-105.2	0	0	0	111.4	G295 L299 E300 V301 I350 R360 V363 A364 F407	G295-F297 VanDerWaalsContact C-N 3.33Å; G295-F297 PolarHBondContact O-N 3.26Å; F297-L299 PolarHBondContact O-N 3.24Å; F297-E300 WeakPolarHBondContact O-CB 3.47Å; F297-E300 PolarHBondContact O-N 3.03Å; F297-E300 VanDerWaalsContact O-N 3.08Å; F297-V301 HydrophobicContact CD1-CG2 4.24Å; F297-V301 HydrophobicContact CE1-CG2 3.83Å; F297-V301 HydrophobicContact CE2-CG2 4.36Å; F297-V301 HydrophobicContact CZ-CG2 3.9Å; F297-V301 WeakPolarHBondContact O-CG2 3.41Å; F297-V301 PolarHBondContact O-N 3.48Å; F297-I350 HydrophobicContact CB-CB 4.05Å; F297-I350 HydrophobicContact CB-CG1 4.29Å; F297-I350 HydrophobicContact CB-CG2 4.33Å; F297-I350 HydrophobicContact CD1-CB 4.47Å; F297-I350 HydrophobicContact CD1-CG1 3.81Å; F297-I350 HydrophobicContact CG-CG1 4.33Å; F297-R360 HydrophobicContact CE1-CB 4.41Å; F297-R360 VanDerWaalsContact CE1-O 3.26Å; F297-R360 WeakPolarHBondContact CE1-O 3.44Å; F297-R360 HydrophobicContact CZ-CB 4.44Å; F297-V363 HydrophobicContact CD1-CB 4.32Å; F297-V363 HydrophobicContact CD1-CG1 3.96Å; F297-V363 HydrophobicContact CE1-CB 4.31Å; F297-V363 HydrophobicContact CE1-CG1 4.27Å; F297-A364 HydrophobicContact CE1-CB 4.16Å; F297-A364 HydrophobicContact CZ-CB 4.18Å; F297-F407 HydrophobicContact CE2-CE1 4.11Å; F297-F407 HydrophobicContact CE2-CZ 4.02Å; F297-F407 HydrophobicContact CZ-CE1 4.4Å; F297-F407 HydrophobicContact CZ-CZ 4.09Å
298	A	98.6	Very high	96.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.1	-34.6	174.5	0	0	0	0	0	112.6	V285 G295 V301 A302 L348 V363 V367	V285-A298 HydrophobicContact CG1-CB 4.45Å; V285-A298 HydrophobicContact CG2-CB 4.18Å; G295-A298 PolarHBondContact O-N 2.87Å; A298-V301 PolarHBondContact O-N 3.3Å; A298-A302 VanDerWaalsContact O-CB 3.31Å; A298-A302 WeakPolarHBondContact O-CB 3.46Å; A298-A302 PolarHBondContact O-N 3.39Å; A298-L348 HydrophobicContact CB-CD1 3.44Å; A298-L348 VanDerWaalsContact CB-CD1 3.44Å; A298-L348 HydrophobicContact CB-CG 4.05Å; A298-L348 WeakPolarHBondContact CB-O 3.36Å; A298-V363 HydrophobicContact CB-CG1 4.16Å; A298-V367 HydrophobicContact CB-CG2 4.08Å
299	L	98.7	Very high	97	Very high	16 Å²	16	34.1 Å²	34.1	8%	0.084	19%	0.188	C	C	.	.	H	α-helix	trans	-64.3	-41.3	173.8	-177.3	60.6	0	0	0	111.9	V273 V283 V285 G295 K296 F297 C303	V273-L299 HydrophobicContact CB-CD2 3.81Å; V273-L299 HydrophobicContact CG2-CB 4.28Å; V273-L299 HydrophobicContact CG2-CD2 3.71Å; V283-L299 HydrophobicContact CB-CD1 3.87Å; V283-L299 HydrophobicContact CG1-CD1 3.61Å; V283-L299 WeakPolarHBondContact O-CD1 3.37Å; V285-L299 HydrophobicContact CG2-CB 3.76Å; V285-L299 HydrophobicContact CG2-CD1 4.29Å; G295-L299 PolarHBondContact O-N 2.86Å; K296-L299 PolarHBondContact O-N 3.39Å; F297-L299 PolarHBondContact O-N 3.24Å; L299-C303 WeakPolarHBondContact O-CB 3.43Å; L299-C303 PolarHBondContact O-N 2.82Å; L299-C303 PolarHBondContact O-SG 2.9Å
300	E	98.2	Very high	97.2	Very high	93 Å²	93	32.2 Å²	32.2	44%	0.435	17%	0.173	S	C	.	.	H	α-helix	trans	-62.6	-47.4	173.7	-169.5	-164.2	139.3	0	0	111.4	K296 F297 C303 K304	K296-E300 PolarHBondContact O-N 3.5Å; F297-E300 WeakPolarHBondContact O-CB 3.47Å; F297-E300 PolarHBondContact O-N 3.03Å; F297-E300 VanDerWaalsContact O-N 3.08Å; E300-C303 PolarHBondContact O-N 3.16Å; E300-K304 WeakPolarHBondContact O-CG 3.45Å; E300-K304 PolarHBondContact O-N 2.88Å; E300-K304 WeakPolarHBondContact OE1-CE 3.47Å; E300-K304 IonicContact OE1-NZ 2.71Å; E300-K304 PolarHBondContact OE1-NZ 3.02Å
301	V	98.4	Very high	97.4	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-58.3	-55.2	177.3	-179.2	0	0	0	0	109.8	F297 A298 C303 K304 T305 A364 V367 F407	F297-V301 HydrophobicContact CD1-CG2 4.24Å; F297-V301 HydrophobicContact CE1-CG2 3.83Å; F297-V301 HydrophobicContact CE2-CG2 4.36Å; F297-V301 HydrophobicContact CZ-CG2 3.9Å; F297-V301 WeakPolarHBondContact O-CG2 3.41Å; F297-V301 PolarHBondContact O-N 3.48Å; A298-V301 PolarHBondContact O-N 3.3Å; V301-C303 VanDerWaalsContact C-N 3.29Å; V301-C303 PolarHBondContact O-N 2.96Å; V301-K304 WeakPolarHBondContact O-CA 3.33Å; V301-K304 WeakPolarHBondContact O-CB 3.35Å; V301-K304 PolarHBondContact O-N 3.24Å; V301-T305 WeakPolarHBondContact O-CB 3.27Å; V301-T305 PolarHBondContact O-N 2.78Å; V301-T305 PolarHBondContact O-OG1 2.71Å; V301-T305 VanDerWaalsContact O-OG1 3.04Å; V301-A364 HydrophobicContact CG2-CB 4.26Å; V301-V367 HydrophobicContact CB-CB 4.41Å; V301-V367 HydrophobicContact CB-CG1 4Å; V301-V367 HydrophobicContact CG1-CB 3.93Å; V301-V367 HydrophobicContact CG1-CG1 3.69Å; V301-F407 HydrophobicContact CG2-CE2 3.92Å; V301-F407 HydrophobicContact CG2-CZ 3.93Å
302	A	98.5	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.8	-37.1	-177.8	0	0	0	0	0	113.5	V283 A298 K304 T305 L306 L324 V367 L371	V283-A302 HydrophobicContact CG1-CB 3.74Å; A298-A302 VanDerWaalsContact O-CB 3.31Å; A298-A302 WeakPolarHBondContact O-CB 3.46Å; A298-A302 PolarHBondContact O-N 3.39Å; A302-K304 VanDerWaalsContact C-N 3.33Å; A302-K304 PolarHBondContact O-N 2.73Å; A302-T305 PolarHBondContact O-N 2.83Å; A302-L306 PolarHBondContact O-N 3.42Å; A302-L324 HydrophobicContact CB-CD1 4.31Å; A302-L324 HydrophobicContact CB-CD2 4.07Å; A302-V367 HydrophobicContact CB-CG1 4.05Å; A302-L371 HydrophobicContact CB-CD1 3.74Å
303	C	98.2	Very high	97.7	Very high	22 Å²	22	31.6 Å²	31.6	15%	0.149	15%	0.15	C	C	.	.	H	α-helix	trans	-68.1	-26.2	174.1	-79.5	0	0	0	0	114.1	L299 E300 V301 P307	L299-C303 WeakPolarHBondContact O-CB 3.43Å; L299-C303 PolarHBondContact O-N 2.82Å; L299-C303 PolarHBondContact O-SG 2.9Å; E300-C303 PolarHBondContact O-N 3.16Å; V301-C303 VanDerWaalsContact C-N 3.29Å; V301-C303 PolarHBondContact O-N 2.96Å; C303-P307 VanDerWaalsContact O-CD 3.27Å; C303-P307 WeakPolarHBondContact O-CD 3.46Å
304	K	97.4	Very high	97.8	Very high	73 Å²	73	29.9 Å²	29.9	32%	0.317	15%	0.152	S	C	.	.	H	α-helix	trans	-83.4	-36.7	171.7	-67.3	174.7	-179.1	173.1	0	112.6	E300 V301 A302 P307 F308 C406 F407	E300-K304 WeakPolarHBondContact O-CG 3.45Å; E300-K304 PolarHBondContact O-N 2.88Å; E300-K304 WeakPolarHBondContact OE1-CE 3.47Å; E300-K304 IonicContact OE1-NZ 2.71Å; E300-K304 PolarHBondContact OE1-NZ 3.02Å; V301-K304 WeakPolarHBondContact O-CA 3.33Å; V301-K304 WeakPolarHBondContact O-CB 3.35Å; V301-K304 PolarHBondContact O-N 3.24Å; A302-K304 VanDerWaalsContact C-N 3.33Å; A302-K304 PolarHBondContact O-N 2.73Å; K304-P307 WeakPolarHBondContact O-CD 3.28Å; K304-F308 PolarHBondContact O-N 2.67Å; K304-C406 HydrophobicContact CD-CB 4.03Å; K304-F407 HydrophobicContact CD-CZ 4.41Å; K304-F407 VanDerWaalsContact NZ-CE1 3.34Å
305	T	97.8	Very high	97.8	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-72.3	-42.6	-173.1	-64.3	0	0	0	0	113.5	V301 A302 F308 Y309 L371 C402	V301-T305 WeakPolarHBondContact O-CB 3.27Å; V301-T305 PolarHBondContact O-N 2.78Å; V301-T305 PolarHBondContact O-OG1 2.71Å; V301-T305 VanDerWaalsContact O-OG1 3.04Å; A302-T305 PolarHBondContact O-N 2.83Å; T305-F308 WeakPolarHBondContact O-CB 3.43Å; T305-F308 PolarHBondContact O-N 2.79Å; T305-Y309 HydrophobicContact CG2-CD2 3.62Å; T305-Y309 HydrophobicContact CG2-CE2 3.17Å; T305-Y309 PolarHBondContact O-N 2.89Å; T305-L371 HydrophobicContact CG2-CB 3.57Å; T305-L371 HydrophobicContact CG2-CD1 3.66Å; T305-L371 HydrophobicContact CG2-CG 4.26Å; T305-C402 PolarHBondContact OG1-SG 3Å
306	L	96.5	Very high	97.8	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-58.9	-46.8	179.9	-74	176	0	0	0	113.3	I281 V283 A302 K310 Y317 I322 L371 W375	I281-L306 HydrophobicContact CB-CD1 4.13Å; I281-L306 HydrophobicContact CG2-CD1 3.99Å; V283-L306 HydrophobicContact CG2-CD1 4.01Å; A302-L306 PolarHBondContact O-N 3.42Å; L306-K310 PolarHBondContact O-N 3.2Å; L306-K310 VanDerWaalsContact O-N 3.09Å; L306-Y317 HydrophobicContact CD2-CD2 4.17Å; L306-Y317 HydrophobicContact CD2-CG 4.13Å; L306-I322 HydrophobicContact CD1-CG2 3.86Å; L306-L371 HydrophobicContact CD2-CD2 4.22Å; L306-W375 HydrophobicContact CD2-CH2 4.23Å; L306-W375 HydrophobicContact CD2-CZ3 4.35Å
307	P	96.8	Very high	97.8	Very high	13 Å²	13	29.2 Å²	29.2	8%	0.084	16%	0.157	C	C	.	.	H	α-helix	trans	-64.7	-38.3	174.2	-22	33.7	0	0	0	113.3	S278 D279 C303 K304 K310 D311	S278-P307 WeakPolarHBondContact OG-CG 3.2Å; D279-P307 VanDerWaalsContact OD2-CA 3.26Å; D279-P307 WeakPolarHBondContact OD2-CA 3.17Å; D279-P307 WeakPolarHBondContact OD2-CB 3.32Å; C303-P307 VanDerWaalsContact O-CD 3.27Å; C303-P307 WeakPolarHBondContact O-CD 3.46Å; K304-P307 WeakPolarHBondContact O-CD 3.28Å; P307-K310 PolarHBondContact O-N 3.15Å; P307-D311 WeakPolarHBondContact O-CB 3.42Å; P307-D311 PolarHBondContact O-N 3.07Å
308	F	98	Very high	97.7	Very high	26 Å²	26	31 Å²	31	11%	0.114	17%	0.171	C	C	.	.	H	α-helix	trans	-58.3	-50	177.5	173.8	-96	0	0	0	111.6	K304 T305 D311 Y312 I398 L401 C402 H405	K304-F308 PolarHBondContact O-N 2.67Å; T305-F308 WeakPolarHBondContact O-CB 3.43Å; T305-F308 PolarHBondContact O-N 2.79Å; F308-D311 PolarHBondContact O-N 2.92Å; F308-Y312 HydrophobicContact CZ-CD2 4.34Å; F308-Y312 HydrophobicContact CZ-CG 4.5Å; F308-Y312 WeakPolarHBondContact O-CB 3.31Å; F308-Y312 PolarHBondContact O-N 3.08Å; F308-I398 HydrophobicContact CE1-CD1 4.37Å; F308-I398 HydrophobicContact CE1-CG1 4.4Å; F308-L401 HydrophobicContact CZ-CB 4.4Å; F308-L401 HydrophobicContact CZ-CD2 4.1Å; F308-L401 HydrophobicContact CZ-CG 3.97Å; F308-C402 HydrophobicContact CD1-CB 3.68Å; F308-C402 HydrophobicContact CE1-CB 3.69Å; F308-H405 HydrophobicContact CD2-CB 3.97Å; F308-H405 AromaticContact CD2-CD2 3.53Å; F308-H405 AromaticContact CD2-CG 3.62Å; F308-H405 HydrophobicContact CE2-CB 3.74Å; F308-H405 AromaticContact CE2-CG 3.73Å; F308-H405 HydrophobicContact CZ-CB 4.47Å
309	Y	98.1	Very high	97.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.5	-37.8	177.5	-65.4	-35	0	0	0	112.9	T305 D311 F313 G368 L371 A372 W375 I398 C402	T305-Y309 HydrophobicContact CG2-CD2 3.62Å; T305-Y309 HydrophobicContact CG2-CE2 3.17Å; T305-Y309 PolarHBondContact O-N 2.89Å; Y309-D311 VanDerWaalsContact C-N 3.35Å; Y309-D311 PolarHBondContact O-N 2.68Å; Y309-F313 HydrophobicContact CD1-CE2 4.09Å; Y309-F313 HydrophobicContact CG-CE2 4.47Å; Y309-F313 WeakPolarHBondContact O-CB 3.3Å; Y309-F313 VanDerWaalsContact O-CD2 3.29Å; Y309-F313 WeakPolarHBondContact O-CD2 3.28Å; Y309-F313 PolarHBondContact O-N 2.66Å; Y309-G368 WeakPolarHBondContact CE2-O 3.3Å; Y309-G368 PolarHBondContact OH-O 3.49Å; Y309-L371 HydrophobicContact CD2-CB 4.34Å; Y309-L371 WeakPolarHBondContact CD2-O 3.33Å; Y309-L371 VanDerWaalsContact CE2-C 3.43Å; Y309-L371 HydrophobicContact CE2-CB 3.94Å; Y309-A372 HydrophobicContact CE1-CB 4.45Å; Y309-A372 HydrophobicContact CE2-CB 3.82Å; Y309-A372 VanDerWaalsContact CE2-N 3.26Å; Y309-W375 HydrophobicContact CD2-CE3 4.23Å; Y309-W375 AromaticContact CD2-CZ3 3.83Å; Y309-W375 HydrophobicContact CD2-CZ3 3.83Å; Y309-W375 HydrophobicContact CG-CE3 4.44Å; Y309-W375 HydrophobicContact CG-CZ3 4.17Å; Y309-I398 HydrophobicContact CD1-CD1 3.99Å; Y309-I398 HydrophobicContact CD1-CG1 4.49Å; Y309-I398 HydrophobicContact CD1-CG2 4.44Å; Y309-I398 HydrophobicContact CE1-CB 4.31Å; Y309-I398 HydrophobicContact CE1-CD1 3.91Å; Y309-I398 HydrophobicContact CE1-CG1 3.91Å; Y309-I398 HydrophobicContact CE1-CG2 3.65Å; Y309-C402 HydrophobicContact CE1-CB 3.83Å; Y309-C402 WeakPolarHBondContact OH-CB 3.44Å
310	K	97.2	Very high	97.6	Very high	45 Å²	45	33.9 Å²	33.9	20%	0.196	19%	0.19	C	C	.	.	H	α-helix	trans	-54.9	-49.7	172.2	177.1	179.1	106.8	-68.9	0	111.7	D279 L306 P307 S314 V315 P316	D279-K310 HydrophobicContact CB-CD 4.49Å; D279-K310 VanDerWaalsContact CG-CE 3.43Å; D279-K310 WeakPolarHBondContact OD1-CE 3.19Å; D279-K310 IonicContact OD1-NZ 2.74Å; D279-K310 PolarHBondContact OD1-NZ 3.3Å; D279-K310 WeakPolarHBondContact OD2-CD 3.39Å; D279-K310 WeakPolarHBondContact OD2-CE 3.5Å; D279-K310 IonicContact OD2-NZ 3.5Å; D279-K310 PolarHBondContact OD2-NZ 2.89Å; L306-K310 PolarHBondContact O-N 3.2Å; L306-K310 VanDerWaalsContact O-N 3.09Å; P307-K310 PolarHBondContact O-N 3.15Å; K310-S314 WeakPolarHBondContact O-CA 3.37Å; K310-S314 PolarHBondContact O-N 3.13Å; K310-V315 PolarHBondContact O-N 2.82Å; K310-P316 HydrophobicContact CD-CB 4.17Å; K310-P316 HydrophobicContact CG-CB 4.38Å
311	D	97.4	Very high	97.6	Very high	93 Å²	93	29.7 Å²	29.7	50%	0.497	17%	0.17	S	C	.	.	H	α-helix	trans	-80.6	-29.5	-173.4	-68.1	-7.9	0	0	0	112.3	P307 F308 Y309 R475	P307-D311 WeakPolarHBondContact O-CB 3.42Å; P307-D311 PolarHBondContact O-N 3.07Å; F308-D311 PolarHBondContact O-N 2.92Å; Y309-D311 VanDerWaalsContact C-N 3.35Å; Y309-D311 PolarHBondContact O-N 2.68Å; D311-R475 PolarHBondContact O-NH2 3.21Å
312	Y	97.8	Very high	97.6	Very high	13 Å²	13	29.6 Å²	29.6	5%	0.051	17%	0.17	C	C	.	.	H	α-helix	trans	-67.1	-48.4	173.8	-169.8	-99	0	0	0	111.5	F308 W397 I398 L401 H466 D471 R475	F308-Y312 HydrophobicContact CZ-CD2 4.34Å; F308-Y312 HydrophobicContact CZ-CG 4.5Å; F308-Y312 WeakPolarHBondContact O-CB 3.31Å; F308-Y312 PolarHBondContact O-N 3.08Å; Y312-W397 HydrophobicContact CE1-CH2 4.37Å; Y312-W397 WeakPolarHBondContact OH-CH2 3.23Å; Y312-I398 HydrophobicContact CD1-CD1 3.5Å; Y312-I398 VanDerWaalsContact CD1-CD1 3.5Å; Y312-I398 HydrophobicContact CE1-CD1 3.64Å; Y312-I398 HydrophobicContact CG-CD1 4.25Å; Y312-L401 HydrophobicContact CD2-CD2 4.09Å; Y312-L401 HydrophobicContact CE1-CD2 4.2Å; Y312-L401 HydrophobicContact CE2-CD2 3.48Å; Y312-L401 VanDerWaalsContact CE2-CD2 3.48Å; Y312-H466 PolarHBondContact OH-NE2 3.27Å; Y312-D471 PolarHBondContact OH-OD1 3.25Å; Y312-R475 HydrophobicContact CD1-CG 4.32Å; Y312-R475 HydrophobicContact CD2-CG 4.3Å; Y312-R475 HydrophobicContact CE1-CG 3.81Å; Y312-R475 VanDerWaalsContact CE2-CD 3.41Å; Y312-R475 HydrophobicContact CE2-CG 3.77Å; Y312-R475 VanDerWaalsContact CZ-CG 3.49Å; Y312-R475 PolarHBondContact O-NE 2.94Å
313	F	96.8	Very high	97.6	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-91.6	-11.9	-178.1	-64.2	-60	0	0	0	115.3	Y309 V315 F376 I398 M478 N479 L482	Y309-F313 HydrophobicContact CD1-CE2 4.09Å; Y309-F313 HydrophobicContact CG-CE2 4.47Å; Y309-F313 WeakPolarHBondContact O-CB 3.3Å; Y309-F313 VanDerWaalsContact O-CD2 3.29Å; Y309-F313 WeakPolarHBondContact O-CD2 3.28Å; Y309-F313 PolarHBondContact O-N 2.66Å; F313-V315 PolarHBondContact O-N 3.44Å; F313-F376 HydrophobicContact CD1-CZ 4.28Å; F313-F376 HydrophobicContact CD2-CE2 4.41Å; F313-F376 AromaticContact CE1-CE2 3.93Å; F313-F376 HydrophobicContact CE1-CE2 3.93Å; F313-F376 AromaticContact CE1-CZ 3.6Å; F313-F376 HydrophobicContact CE1-CZ 3.6Å; F313-F376 AromaticContact CE2-CE2 3.57Å; F313-F376 HydrophobicContact CE2-CE2 3.57Å; F313-F376 HydrophobicContact CE2-CZ 4.06Å; F313-F376 AromaticContact CZ-CE2 3.28Å; F313-F376 HydrophobicContact CZ-CE2 3.28Å; F313-F376 AromaticContact CZ-CZ 3.47Å; F313-F376 HydrophobicContact CZ-CZ 3.47Å; F313-F376 VanDerWaalsContact CZ-CZ 3.47Å; F313-I398 HydrophobicContact CE1-CD1 4.2Å; F313-I398 HydrophobicContact CE2-CD1 3.6Å; F313-I398 HydrophobicContact CZ-CD1 3.25Å; F313-M478 HydrophobicContact CD1-CB 3.98Å; F313-M478 HydrophobicContact CE1-CB 4.11Å; F313-M478 HydrophobicContact CE1-CG 4.39Å; F313-N479 WeakPolarHBondContact O-CB 3.34Å; F313-N479 PolarHBondContact O-ND2 3Å; F313-L482 HydrophobicContact CB-CD1 3.75Å; F313-L482 HydrophobicContact CD1-CD1 3.86Å; F313-L482 HydrophobicContact CD2-CD1 4.48Å; F313-L482 HydrophobicContact CG-CD1 3.78Å
314	S	97.7	Very high	97.7	Very high	86 Å²	86	28.6 Å²	28.6	60%	0.601	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	36.7	-171.7	-61.7	0	0	0	0	113.7	K310 N479	K310-S314 WeakPolarHBondContact O-CA 3.37Å; K310-S314 PolarHBondContact O-N 3.13Å; S314-N479 PolarHBondContact O-ND2 3.32Å
315	V	97.9	Very high	97.7	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.03	15%	0.148	C	C	.	.			trans	-136	119.7	176	178	0	0	0	0	108.4	K310 F313 W375 L379 L482 L483	K310-V315 PolarHBondContact O-N 2.82Å; F313-V315 PolarHBondContact O-N 3.44Å; V315-W375 WeakPolarHBondContact O-CZ2 3.33Å; V315-W375 PolarHBondContact O-NE1 3.02Å; V315-L379 HydrophobicContact CG1-CD2 3.78Å; V315-L482 HydrophobicContact CG2-CB 4.04Å; V315-L482 HydrophobicContact CG2-CD1 4.41Å; V315-L483 HydrophobicContact CG2-CD2 4.03Å; V315-L483 HydrophobicContact CG2-CG 4.15Å
316	P	97.2	Very high	97.8	Very high	85 Å²	85	25 Å²	25	55%	0.552	15%	0.148	S	C	*	.			trans	-74.3	155	-177.8	31.7	-35.9	0	0	0	112.9	K310	K310-P316 HydrophobicContact CD-CB 4.17Å; K310-P316 HydrophobicContact CG-CB 4.38Å
317	Y	98.1	Very high	97.7	Very high	15 Å²	15	24.9 Å²	24.9	6%	0.059	15%	0.147	C	C	.	.			trans	-66.3	129.2	167.7	-178.8	-105.2	0	0	0	110.3	I281 L306 L319 K321 I322 W338 G339 Q374 W375	I281-Y317 HydrophobicContact CD1-CD1 4.23Å; I281-Y317 HydrophobicContact CG1-CD1 4.21Å; I281-Y317 HydrophobicContact CG2-CD1 3.84Å; I281-Y317 HydrophobicContact CG2-CE1 4Å; L306-Y317 HydrophobicContact CD2-CD2 4.17Å; L306-Y317 HydrophobicContact CD2-CG 4.13Å; Y317-L319 HydrophobicContact CD1-CB 4.43Å; Y317-L319 WeakPolarHBondContact CD1-O 3.37Å; Y317-L319 HydrophobicContact CE1-CB 3.59Å; Y317-L319 HydrophobicContact CE1-CG 4.27Å; Y317-L319 WeakPolarHBondContact CE1-O 3.33Å; Y317-K321 PolarHBondContact OH-O 3.38Å; Y317-I322 HydrophobicContact CE1-CB 4.28Å; Y317-I322 HydrophobicContact CE2-CD1 4.19Å; Y317-W338 AromaticContact CE2-NE1 3.94Å; Y317-G339 WeakPolarHBondContact OH-CA 3.43Å; Y317-Q374 HydrophobicContact CD2-CB 3.9Å; Y317-Q374 HydrophobicContact CD2-CG 4.33Å; Y317-Q374 HydrophobicContact CE2-CB 3.76Å; Y317-Q374 HydrophobicContact CE2-CG 3.84Å; Y317-W375 HydrophobicContact CD2-CH2 4.45Å
318	P	96.4	Very high	97.6	Very high	60 Å²	60	24.7 Å²	24.7	39%	0.39	15%	0.146	S	C	.	.			trans	-91.8	-10.6	-166.4	33.4	-35.6	0	0	0	116	W338	P318-W338 HydrophobicContact CG-CZ2 3.6Å
319	L	98.1	Very high	97.2	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.031	15%	0.145	C	C	.	.	S	Bend	trans	-95.5	149.3	-177.8	-49.7	-169.2	0	0	0	111.6	M233 P256 Y317 K321 W338	M233-L319 HydrophobicContact CE-CD2 4.37Å; M233-L319 HydrophobicContact SD-CD1 4.11Å; M233-L319 HydrophobicContact SD-CD2 3.8Å; M233-L319 HydrophobicContact SD-CG 4.44Å; P256-L319 HydrophobicContact CG-CD2 3.48Å; P256-L319 VanDerWaalsContact CG-CD2 3.48Å; Y317-L319 HydrophobicContact CD1-CB 4.43Å; Y317-L319 WeakPolarHBondContact CD1-O 3.37Å; Y317-L319 HydrophobicContact CE1-CB 3.59Å; Y317-L319 HydrophobicContact CE1-CG 4.27Å; Y317-L319 WeakPolarHBondContact CE1-O 3.33Å; L319-K321 PolarHBondContact O-N 3.39Å; L319-W338 HydrophobicContact CD1-CB 4.46Å; L319-W338 HydrophobicContact CD1-CG 3.91Å
320	P	97.2	Very high	96.9	Very high	69 Å²	69	24.3 Å²	24.3	45%	0.448	15%	0.145	S	C	.	.	S	Bend	trans	-68.8	-16.6	-178.5	28.1	-35.9	0	0	0	114	M233 D234 K282	M233-P320 HydrophobicContact CE-CG 4.48Å; D234-P320 WeakPolarHBondContact OD1-CG 3.4Å; K282-P320 PolarHBondContact N-O 3.27Å
321	K	98.4	Very high	96.3	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.022	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	158.5	-179	65.3	89.8	179.9	-179.2	0	111.1	S231 N232 M233 D234 K282 Y317 L319 D323 G339	S231-K321 PolarHBondContact O-NZ 3.27Å; N232-K321 WeakPolarHBondContact O-CE 3.5Å; N232-K321 PolarHBondContact O-NZ 2.95Å; M233-K321 WeakPolarHBondContact O-CE 3.46Å; D234-K321 HydrophobicContact CB-CG 4.34Å; K282-K321 HydrophobicContact CB-CB 4Å; K282-K321 HydrophobicContact CD-CB 4.5Å; K282-K321 HydrophobicContact CG-CB 4.25Å; K282-K321 CarbonylContact O-C 3.55Å; K282-K321 VanDerWaalsContact O-CA 3.23Å; K282-K321 WeakPolarHBondContact O-CA 3.29Å; Y317-K321 PolarHBondContact OH-O 3.38Å; L319-K321 PolarHBondContact O-N 3.39Å; K321-D323 WeakPolarHBondContact CD-OD2 3.44Å; K321-D323 WeakPolarHBondContact CE-OD2 3.39Å; K321-D323 IonicContact NZ-OD2 2.76Å; K321-D323 PolarHBondContact NZ-OD2 3.26Å; K321-G339 PolarHBondContact NZ-O 3.49Å
322	I	98.7	Very high	95.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.1	157.2	-169.3	152.2	0	0	0	110	K282 V283 R284 L306 Y317 L324 V341 L371 Q374	K282-I322 PolarHBondContact O-N 2.92Å; V283-I322 WeakPolarHBondContact CA-O 3.39Å; V283-I322 HydrophobicContact CG1-CG2 4.22Å; V283-I322 HydrophobicContact CG2-CG2 4.15Å; R284-I322 PolarHBondContact N-O 3.23Å; R284-I322 VanDerWaalsContact N-O 3.09Å; L306-I322 HydrophobicContact CD1-CG2 3.86Å; Y317-I322 HydrophobicContact CE1-CB 4.28Å; Y317-I322 HydrophobicContact CE2-CD1 4.19Å; I322-L324 HydrophobicContact CG1-CD1 4.23Å; I322-L324 HydrophobicContact CG2-CD1 4.22Å; I322-V341 HydrophobicContact CD1-CG2 3.97Å; I322-V341 HydrophobicContact CG1-CG2 4.3Å; I322-L371 HydrophobicContact CD1-CD2 3.39Å; I322-L371 HydrophobicContact CG1-CD2 4.37Å; I322-Q374 HydrophobicContact CD1-CG 4.03Å
323	D	98.9	Very high	95.4	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.6	173.5	-61.2	-34.2	0	0	0	108.8	R284 Y286 K321 G339 L340 V341	R284-D323 IonicContact CZ-OD1 2.7Å; R284-D323 IonicContact CZ-OD2 3.99Å; R284-D323 IonicContact NE-OD1 3.19Å; R284-D323 PolarHBondContact NE-OD1 3.03Å; R284-D323 IonicContact NH2-OD1 2.64Å; R284-D323 PolarHBondContact NH2-OD1 3.31Å; R284-D323 IonicContact NH2-OD2 3.12Å; R284-D323 PolarHBondContact NH2-OD2 3.01Å; Y286-D323 HydrophobicContact CD2-CB 4.19Å; Y286-D323 HydrophobicContact CE2-CB 4.02Å; K321-D323 WeakPolarHBondContact CD-OD2 3.44Å; K321-D323 WeakPolarHBondContact CE-OD2 3.39Å; K321-D323 IonicContact NZ-OD2 2.76Å; K321-D323 PolarHBondContact NZ-OD2 3.26Å; D323-G339 PolarHBondContact N-O 3.49Å; D323-L340 HydrophobicContact CB-CD1 3.74Å; D323-L340 CarbonylContact O-C 3.54Å; D323-L340 WeakPolarHBondContact O-CA 3.49Å; D323-V341 PolarHBondContact O-N 3.38Å
324	L	98.9	Very high	95.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.3	170.9	-67.2	71.7	0	0	0	106.8	V283 R284 V285 Y286 A302 I322 V341 Y343 L348 V367	V283-L324 HydrophobicContact CG1-CD1 4.18Å; R284-L324 PolarHBondContact O-N 3.49Å; V285-L324 CarbonylContact C-O 3.55Å; V285-L324 WeakPolarHBondContact CA-O 3.46Å; V285-L324 HydrophobicContact CG2-CB 4.27Å; V285-L324 HydrophobicContact CG2-CD2 4.49Å; Y286-L324 PolarHBondContact N-O 3.09Å; A302-L324 HydrophobicContact CB-CD1 4.31Å; A302-L324 HydrophobicContact CB-CD2 4.07Å; I322-L324 HydrophobicContact CG1-CD1 4.23Å; I322-L324 HydrophobicContact CG2-CD1 4.22Å; L324-V341 CarbonylContact C-O 3.56Å; L324-V341 WeakPolarHBondContact CA-O 3.49Å; L324-Y343 HydrophobicContact CB-CD2 4.34Å; L324-Y343 HydrophobicContact CB-CE2 3.67Å; L324-Y343 HydrophobicContact CD2-CE2 3.96Å; L324-Y343 VanDerWaalsContact CD2-OH 3.31Å; L324-Y343 WeakPolarHBondContact CD2-OH 3.26Å; L324-Y343 HydrophobicContact CG-CE2 3.77Å; L324-L348 HydrophobicContact CB-CD1 4.03Å; L324-L348 HydrophobicContact CB-CD2 4.19Å; L324-L348 HydrophobicContact CD2-CD1 3.88Å; L324-V367 HydrophobicContact CD2-CG1 3.92Å; L324-V367 HydrophobicContact CD2-CG2 4.23Å
325	I	98.8	Very high	95.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.3	-175.5	-174.8	158.7	0	0	0	113.6	L230 V266 Y270 Y286 I327 L340 V341 T342 Y343	L230-I325 HydrophobicContact CD1-CD1 3.69Å; V266-I325 HydrophobicContact CB-CD1 4.35Å; V266-I325 HydrophobicContact CG1-CD1 3.85Å; Y270-I325 HydrophobicContact CD1-CD1 4Å; Y270-I325 HydrophobicContact CD1-CG1 4.3Å; Y270-I325 HydrophobicContact CD2-CD1 4.04Å; Y270-I325 HydrophobicContact CE1-CD1 3.87Å; Y270-I325 HydrophobicContact CE1-CG1 4.09Å; Y270-I325 HydrophobicContact CE2-CD1 3.91Å; Y270-I325 HydrophobicContact CG-CD1 4.09Å; Y286-I325 HydrophobicContact CG-CD1 4.34Å; I325-I327 HydrophobicContact CD1-CD1 4.3Å; I325-I327 HydrophobicContact CG1-CD1 3.95Å; I325-I327 HydrophobicContact CG2-CD1 4.08Å; I325-I327 HydrophobicContact CG2-CG1 4.5Å; I325-I327 PolarHBondContact O-N 3.47Å; I325-L340 HydrophobicContact CG2-CD1 3.99Å; I325-V341 PolarHBondContact N-O 2.96Å; I325-T342 HydrophobicContact CG2-CG2 3.68Å; I325-Y343 PolarHBondContact O-N 3.49Å
326	A	98	Very high	95.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	109.5	173	0	0	0	0	0	110.7	Y286 E345 L348 L349	Y286-A326 PolarHBondContact O-N 3.02Å; A326-E345 HydrophobicContact CB-CG 4.36Å; A326-L348 HydrophobicContact CB-CB 4.48Å; A326-L348 HydrophobicContact CB-CD2 4.02Å; A326-L349 HydrophobicContact CB-CD1 3.96Å; A326-L349 HydrophobicContact CB-CD2 3.92Å; A326-L349 HydrophobicContact CB-CG 3.9Å
327	I	96.4	Very high	95.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	142.3	174.2	-53.1	-58.4	0	0	0	109.5	V193 V266 I325 D329 F330 T342 Y343 E345	V193-I327 HydrophobicContact CG1-CD1 3.83Å; V193-I327 HydrophobicContact CG1-CG1 4.02Å; V193-I327 HydrophobicContact CG1-CG2 4.12Å; V193-I327 HydrophobicContact CG2-CD1 4.06Å; V193-I327 HydrophobicContact CG2-CG2 4.13Å; V266-I327 HydrophobicContact CG1-CD1 4.27Å; V266-I327 HydrophobicContact CG2-CD1 4.36Å; I325-I327 HydrophobicContact CD1-CD1 4.3Å; I325-I327 HydrophobicContact CG1-CD1 3.95Å; I325-I327 HydrophobicContact CG2-CD1 4.08Å; I325-I327 HydrophobicContact CG2-CG1 4.5Å; I325-I327 PolarHBondContact O-N 3.47Å; I327-D329 VanDerWaalsContact CG2-O 3.27Å; I327-D329 WeakPolarHBondContact CG2-O 3.29Å; I327-F330 HydrophobicContact CB-CB 4.34Å; I327-F330 HydrophobicContact CB-CD2 4.18Å; I327-F330 HydrophobicContact CG1-CD2 4.33Å; I327-F330 HydrophobicContact CG2-CB 4.37Å; I327-F330 HydrophobicContact CG2-CD2 4.28Å; I327-T342 HydrophobicContact CD1-CG2 4.47Å; I327-T342 HydrophobicContact CG1-CG2 4.17Å; I327-Y343 PolarHBondContact N-O 3.45Å; I327-E345 PolarHBondContact O-N 2.66Å
328	A	92.8	Very high	95.5	Very high	9 Å²	9	12.6 Å²	12.6	7%	0.074	9%	0.09	C	C	.	.	S	Bend	trans	-74.2	-48.1	179.4	0	0	0	0	0	111.7	R822 Q824	A328-R822 VanDerWaalsContact C-NH1 3.31Å; A328-R822 VanDerWaalsContact CA-NH1 3.27Å; A328-R822 PolarHBondContact O-NH1 3.27Å; A328-Q824 PolarHBondContact O-NE2 3.45Å
329	D	91.4	Very high	95.6	Very high	17 Å²	17	9.7 Å²	9.7	9%	0.091	7%	0.072	C	C	.	.	S	Bend	trans	-111.7	111.6	178	-47.6	-59.7	0	0	0	111	M173 Y177 S179 K180 I327 Q824	M173-D329 HydrophobicContact CG-CB 4.19Å; M173-D329 HydrophobicContact SD-CB 4.17Å; Y177-D329 WeakPolarHBondContact CE2-O 3.41Å; Y177-D329 PolarHBondContact OH-O 3.01Å; S179-D329 WeakPolarHBondContact CA-OD2 3.48Å; S179-D329 WeakPolarHBondContact OG-CB 3.48Å; S179-D329 PolarHBondContact OG-N 3.25Å; S179-D329 PolarHBondContact OG-OD2 3.43Å; K180-D329 PolarHBondContact N-OD2 2.8Å; I327-D329 VanDerWaalsContact CG2-O 3.27Å; I327-D329 WeakPolarHBondContact CG2-O 3.29Å; D329-Q824 PolarHBondContact OD1-NE2 3.26Å; D329-Q824 PolarHBondContact OD1-OE1 3Å
330	F	90.9	Very high	95.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	7%	0.07	C	C	.	.			trans	-150.2	128.8	-173.1	-160.4	-99.1	0	0	0	109.5	Y177 Q195 I327 A332 M335 T342 R344	Y177-F330 WeakPolarHBondContact OH-CD2 3.28Å; Q195-F330 VanDerWaalsContact OE1-CZ 3.28Å; I327-F330 HydrophobicContact CB-CB 4.34Å; I327-F330 HydrophobicContact CB-CD2 4.18Å; I327-F330 HydrophobicContact CG1-CD2 4.33Å; I327-F330 HydrophobicContact CG2-CB 4.37Å; I327-F330 HydrophobicContact CG2-CD2 4.28Å; F330-A332 HydrophobicContact CD1-CB 4.41Å; F330-A332 HydrophobicContact CE1-CB 3.88Å; F330-M335 HydrophobicContact CE1-CB 4.45Å; F330-M335 HydrophobicContact CZ-CB 3.74Å; F330-T342 WeakPolarHBondContact CE2-OG1 3.42Å; F330-T342 WeakPolarHBondContact CZ-OG1 3.29Å; F330-R344 HydrophobicContact CB-CG 3.89Å; F330-R344 HydrophobicContact CD1-CG 4.23Å; F330-R344 VanDerWaalsContact O-CZ 3.29Å; F330-R344 PolarHBondContact O-NE 3.2Å; F330-R344 VanDerWaalsContact O-NE 3.11Å; F330-R344 PolarHBondContact O-NH2 3.06Å
331	A	85.1	Confident	95.7	Very high	20 Å²	20	6.1 Å²	6.1	17%	0.165	5%	0.049	C	C	.	.	S	Bend	trans	-76.7	-48.5	-171.3	0	0	0	0	0	112.7	M173 R344	M173-A331 HydrophobicContact CB-CB 4.03Å; M173-A331 HydrophobicContact CE-CB 4.44Å; M173-A331 HydrophobicContact SD-CB 4.42Å; A331-R344 PolarHBondContact O-NH2 3.26Å
332	A	86.6	Confident	95.7	Very high	25 Å²	25	5.9 Å²	5.9	21%	0.207	5%	0.048	C	C	.	.	S	Bend	trans	-77.1	-165.9	178.4	0	0	0	0	0	112.3	F330 R344 F863	F330-A332 HydrophobicContact CD1-CB 4.41Å; F330-A332 HydrophobicContact CE1-CB 3.88Å; A332-R344 WeakPolarHBondContact O-CD 3.43Å; A332-R344 PolarHBondContact O-NE 2.97Å; A332-F863 HydrophobicContact CB-CD2 4.39Å; A332-F863 HydrophobicContact CB-CE2 4.26Å
333	G	88.9	Confident	95.7	Very high	31 Å²	31	5.9 Å²	5.9	32%	0.32	5%	0.048	S	C	.	.	S	Bend	trans	-81.6	-57.1	170.6	0	0	0	0	0	111.2	R344	G333-R344 PolarHBondContact O-N 3.19Å
334	A	96.9	Very high	95.6	Very high	12 Å²	12	7.1 Å²	7.1	10%	0.099	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	-167.8	168.7	0	0	0	0	0	109.3	T342 Y343 V366 E370	A334-T342 CarbonylContact C-O 3.51Å; A334-T342 VanDerWaalsContact C-O 3.3Å; A334-T342 WeakPolarHBondContact CA-O 3.31Å; A334-T342 VanDerWaalsContact CB-O 3.25Å; A334-T342 WeakPolarHBondContact CB-O 3.42Å; A334-Y343 HydrophobicContact CB-CD1 3.49Å; A334-Y343 VanDerWaalsContact CB-CD1 3.49Å; A334-Y343 HydrophobicContact CB-CD2 4.45Å; A334-Y343 HydrophobicContact CB-CE1 3.95Å; A334-Y343 HydrophobicContact CB-CG 3.77Å; A334-V366 HydrophobicContact CB-CG1 3.8Å; A334-E370 HydrophobicContact CB-CG 3.64Å; A334-E370 WeakPolarHBondContact CB-OE1 3.24Å
335	M	97.8	Very high	95.4	Very high	5 Å²	5	7.9 Å²	7.9	3%	0.025	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	134	-178.8	170.7	76	-137.1	0	0	109.2	Q195 E197 Y261 L262 F330 N337 V341 T342 E370	Q195-M335 PolarHBondContact NE2-SD 2.8Å; Q195-M335 VanDerWaalsContact OE1-CB 3.31Å; Q195-M335 VanDerWaalsContact OE1-CG 3.26Å; E197-M335 HydrophobicContact CB-CE 3.75Å; E197-M335 HydrophobicContact CB-SD 3.52Å; E197-M335 VanDerWaalsContact CB-SD 3.52Å; Y261-M335 HydrophobicContact CD2-CE 3.67Å; Y261-M335 HydrophobicContact CE2-CE 3.89Å; L262-M335 HydrophobicContact CD2-CE 4.07Å; F330-M335 HydrophobicContact CE1-CB 4.45Å; F330-M335 HydrophobicContact CZ-CB 3.74Å; M335-N337 VanDerWaalsContact C-N 3.28Å; M335-N337 WeakPolarHBondContact CG-OD1 3.28Å; M335-N337 PolarHBondContact O-N 2.93Å; M335-N337 VanDerWaalsContact O-N 3.07Å; M335-N337 PolarHBondContact O-ND2 2.89Å; M335-V341 WeakPolarHBondContact O-CA 3.29Å; M335-V341 VanDerWaalsContact O-CG1 3.3Å; M335-V341 WeakPolarHBondContact O-CG1 3.49Å; M335-T342 PolarHBondContact N-O 2.89Å; M335-T342 PolarHBondContact O-N 3.3Å; M335-T342 VanDerWaalsContact O-N 3.13Å; M335-E370 VanDerWaalsContact CA-OE2 3.28Å; M335-E370 WeakPolarHBondContact CA-OE2 3.31Å; M335-E370 PolarHBondContact N-OE2 3.17Å; M335-E370 VanDerWaalsContact N-OE2 3.08Å
336	E	98.2	Very high	95.2	Very high	4 Å²	4	9.4 Å²	9.4	2%	0.019	7%	0.065	C	C	.	.			trans	-82.1	10.1	-158.3	74.1	-101.7	-135	0	0	116.5	L262 W338 E370 H373 Q374 N378	L262-E336 HydrophobicContact CD2-CG 3.76Å; E336-W338 PolarHBondContact O-N 2.65Å; E336-E370 WeakPolarHBondContact CA-OE2 3.45Å; E336-E370 PolarHBondContact N-OE2 3.23Å; E336-E370 VanDerWaalsContact N-OE2 3.08Å; E336-H373 HydrophobicContact CB-CB 3.35Å; E336-H373 HydrophobicContact CG-CB 3.57Å; E336-H373 IonicContact OE1-CG 2.67Å; E336-H373 IonicContact OE1-ND1 3.58Å; E336-Q374 PolarHBondContact O-NE2 3.21Å; E336-N378 VanDerWaalsContact CG-OD1 3.31Å; E336-N378 WeakPolarHBondContact CG-OD1 3.33Å; E336-N378 PolarHBondContact O-ND2 3.21Å; E336-N378 VanDerWaalsContact O-ND2 3.08Å
337	N	98.8	Very high	95.1	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	7%	0.066	C	C	.	.			trans	-43.5	126.2	-158.7	-27.3	-91.1	0	0	0	112.1	A264 M335 G339 L340 T342	A264-N337 HydrophobicContact CB-CB 3.42Å; A264-N337 VanDerWaalsContact CB-CB 3.42Å; M335-N337 VanDerWaalsContact C-N 3.28Å; M335-N337 WeakPolarHBondContact CG-OD1 3.28Å; M335-N337 PolarHBondContact O-N 2.93Å; M335-N337 VanDerWaalsContact O-N 3.07Å; M335-N337 PolarHBondContact O-ND2 2.89Å; N337-G339 PolarHBondContact O-N 3.42Å; N337-L340 WeakPolarHBondContact CB-O 3.45Å; N337-L340 PolarHBondContact ND2-O 2.85Å; N337-L340 CarbonylContact O-C 3.49Å; N337-L340 PolarHBondContact O-N 3.07Å; N337-T342 PolarHBondContact ND2-OG1 2.94Å
338	W	98.7	Very high	95.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	108.5	-157.9	-155.2	-5.8	0	0	0	112.6	N232 P256 M258 Y317 P318 L319 E336 N378 L379 H487	N232-W338 VanDerWaalsContact CA-O 3.3Å; N232-W338 WeakPolarHBondContact CA-O 3.28Å; N232-W338 WeakPolarHBondContact CB-O 3.49Å; N232-W338 PolarHBondContact ND2-N 3.01Å; N232-W338 PolarHBondContact ND2-O 2.68Å; P256-W338 HydrophobicContact CB-CH2 4.43Å; P256-W338 HydrophobicContact CB-CZ3 4.29Å; M258-W338 HydrophobicContact CB-CE3 3.62Å; M258-W338 HydrophobicContact CB-CZ3 3.78Å; M258-W338 HydrophobicContact CG-CE3 4.48Å; M258-W338 HydrophobicContact SD-CB 4.27Å; M258-W338 HydrophobicContact SD-CE3 4.08Å; Y317-W338 AromaticContact CE2-NE1 3.94Å; P318-W338 HydrophobicContact CG-CZ2 3.6Å; L319-W338 HydrophobicContact CD1-CB 4.46Å; L319-W338 HydrophobicContact CD1-CG 3.91Å; E336-W338 PolarHBondContact O-N 2.65Å; W338-N378 WeakPolarHBondContact CA-ND2 3.32Å; W338-N378 HydrophobicContact CB-CB 4.39Å; W338-N378 HydrophobicContact CD2-CB 3.64Å; W338-N378 HydrophobicContact CE3-CB 3.97Å; W338-N378 HydrophobicContact CG-CB 3.85Å; W338-N378 HydrophobicContact CH2-CB 4.49Å; W338-N378 HydrophobicContact CZ2-CB 4.19Å; W338-N378 HydrophobicContact CZ3-CB 4.39Å; W338-N378 WeakPolarHBondContact CZ3-O 3.14Å; W338-L379 HydrophobicContact CH2-CB 4.29Å; W338-L379 HydrophobicContact CH2-CD1 4Å; W338-L379 HydrophobicContact CZ2-CB 4.17Å; W338-L379 HydrophobicContact CZ2-CD1 4.11Å; W338-H487 AromaticContact CH2-CE1 3.65Å; W338-H487 AromaticContact CH2-ND1 3.73Å
339	G	98.6	Very high	95.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-3.9	-177.7	0	0	0	0	0	116.5	Y317 K321 D323 N337	Y317-G339 WeakPolarHBondContact OH-CA 3.43Å; K321-G339 PolarHBondContact NZ-O 3.49Å; D323-G339 PolarHBondContact N-O 3.49Å; N337-G339 PolarHBondContact O-N 3.42Å
340	L	98.9	Very high	95.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	76.1	173.1	-179.1	58.3	0	0	0	110.3	L230 A264 V266 D323 I325 N337	L230-L340 HydrophobicContact CB-CD1 3.88Å; L230-L340 HydrophobicContact CB-CD2 3.67Å; L230-L340 HydrophobicContact CB-CG 4.46Å; L230-L340 HydrophobicContact CD1-CD1 3.78Å; L230-L340 HydrophobicContact CG-CD1 4.47Å; A264-L340 HydrophobicContact CB-CB 4.43Å; A264-L340 HydrophobicContact CB-CD2 4.18Å; A264-L340 HydrophobicContact CB-CG 4.46Å; V266-L340 HydrophobicContact CG2-CD2 4.25Å; D323-L340 HydrophobicContact CB-CD1 3.74Å; D323-L340 CarbonylContact O-C 3.54Å; D323-L340 WeakPolarHBondContact O-CA 3.49Å; I325-L340 HydrophobicContact CG2-CD1 3.99Å; N337-L340 WeakPolarHBondContact CB-O 3.45Å; N337-L340 PolarHBondContact ND2-O 2.85Å; N337-L340 CarbonylContact O-C 3.49Å; N337-L340 PolarHBondContact O-N 3.07Å
341	V	98.8	Very high	95.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125.9	-177	-176.6	0	0	0	0	110	I322 D323 L324 I325 M335 Y343 E370	I322-V341 HydrophobicContact CD1-CG2 3.97Å; I322-V341 HydrophobicContact CG1-CG2 4.3Å; D323-V341 PolarHBondContact O-N 3.38Å; L324-V341 CarbonylContact C-O 3.56Å; L324-V341 WeakPolarHBondContact CA-O 3.49Å; I325-V341 PolarHBondContact N-O 2.96Å; M335-V341 WeakPolarHBondContact O-CA 3.29Å; M335-V341 VanDerWaalsContact O-CG1 3.3Å; M335-V341 WeakPolarHBondContact O-CG1 3.49Å; V341-Y343 HydrophobicContact CB-CE2 3.74Å; V341-Y343 HydrophobicContact CG1-CD2 3.98Å; V341-Y343 HydrophobicContact CG1-CE2 3.21Å; V341-Y343 WeakPolarHBondContact O-CD2 3.13Å; V341-E370 HydrophobicContact CG1-CB 3.49Å; V341-E370 VanDerWaalsContact CG1-CB 3.49Å; V341-E370 HydrophobicContact CG1-CG 3.63Å
342	T	98.6	Very high	96	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.1	-176.3	44.9	0	0	0	0	111.4	V266 I325 I327 F330 A334 M335 N337	V266-T342 HydrophobicContact CG2-CG2 4.36Å; I325-T342 HydrophobicContact CG2-CG2 3.68Å; I327-T342 HydrophobicContact CD1-CG2 4.47Å; I327-T342 HydrophobicContact CG1-CG2 4.17Å; F330-T342 WeakPolarHBondContact CE2-OG1 3.42Å; F330-T342 WeakPolarHBondContact CZ-OG1 3.29Å; A334-T342 CarbonylContact C-O 3.51Å; A334-T342 VanDerWaalsContact C-O 3.3Å; A334-T342 WeakPolarHBondContact CA-O 3.31Å; A334-T342 VanDerWaalsContact CB-O 3.25Å; A334-T342 WeakPolarHBondContact CB-O 3.42Å; M335-T342 PolarHBondContact N-O 2.89Å; M335-T342 PolarHBondContact O-N 3.3Å; M335-T342 VanDerWaalsContact O-N 3.13Å; N337-T342 PolarHBondContact ND2-OG1 2.94Å
343	Y	98.4	Very high	96	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	154.2	-175.7	-62.5	-110.4	0	0	0	111.3	L324 I325 I327 A334 V341 A347 L348 V366 V367 E370	L324-Y343 HydrophobicContact CB-CD2 4.34Å; L324-Y343 HydrophobicContact CB-CE2 3.67Å; L324-Y343 HydrophobicContact CD2-CE2 3.96Å; L324-Y343 VanDerWaalsContact CD2-OH 3.31Å; L324-Y343 WeakPolarHBondContact CD2-OH 3.26Å; L324-Y343 HydrophobicContact CG-CE2 3.77Å; I325-Y343 PolarHBondContact O-N 3.49Å; I327-Y343 PolarHBondContact N-O 3.45Å; A334-Y343 HydrophobicContact CB-CD1 3.49Å; A334-Y343 VanDerWaalsContact CB-CD1 3.49Å; A334-Y343 HydrophobicContact CB-CD2 4.45Å; A334-Y343 HydrophobicContact CB-CE1 3.95Å; A334-Y343 HydrophobicContact CB-CG 3.77Å; V341-Y343 HydrophobicContact CB-CE2 3.74Å; V341-Y343 HydrophobicContact CG1-CD2 3.98Å; V341-Y343 HydrophobicContact CG1-CE2 3.21Å; V341-Y343 WeakPolarHBondContact O-CD2 3.13Å; Y343-A347 HydrophobicContact CD1-CB 4.23Å; Y343-A347 WeakPolarHBondContact CD1-O 3.13Å; Y343-L348 HydrophobicContact CD1-CB 4.12Å; Y343-L348 HydrophobicContact CD1-CD1 3.93Å; Y343-L348 HydrophobicContact CD2-CB 4.48Å; Y343-L348 HydrophobicContact CD2-CD1 3.85Å; Y343-L348 HydrophobicContact CD2-CD2 3.83Å; Y343-L348 HydrophobicContact CD2-CG 4.29Å; Y343-L348 HydrophobicContact CE1-CD1 3.89Å; Y343-L348 HydrophobicContact CE2-CD1 3.81Å; Y343-L348 HydrophobicContact CE2-CD2 4.42Å; Y343-L348 HydrophobicContact CG-CB 3.93Å; Y343-L348 HydrophobicContact CG-CD1 3.92Å; Y343-L348 HydrophobicContact CG-CD2 4.09Å; Y343-L348 HydrophobicContact CG-CG 4.21Å; Y343-V366 HydrophobicContact CD1-CG1 4.05Å; Y343-V366 HydrophobicContact CE1-CG1 3.93Å; Y343-V367 HydrophobicContact CE1-CG2 3.75Å; Y343-E370 HydrophobicContact CE1-CG 3.8Å
344	R	95.5	Very high	96.2	Very high	27 Å²	27	21.5 Å²	21.5	10%	0.102	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	147.1	154.1	-74.8	-175.2	-174.8	-133	4.9	110.1	F330 A331 A332 G333 T346 A347 L348 Q824 D825	F330-R344 HydrophobicContact CB-CG 3.89Å; F330-R344 HydrophobicContact CD1-CG 4.23Å; F330-R344 VanDerWaalsContact O-CZ 3.29Å; F330-R344 PolarHBondContact O-NE 3.2Å; F330-R344 VanDerWaalsContact O-NE 3.11Å; F330-R344 PolarHBondContact O-NH2 3.06Å; A331-R344 PolarHBondContact O-NH2 3.26Å; A332-R344 WeakPolarHBondContact O-CD 3.43Å; A332-R344 PolarHBondContact O-NE 2.97Å; G333-R344 PolarHBondContact O-N 3.19Å; R344-T346 PolarHBondContact O-N 3.18Å; R344-T346 VanDerWaalsContact O-N 3.11Å; R344-A347 HydrophobicContact CB-CB 4.34Å; R344-A347 PolarHBondContact O-N 3.25Å; R344-L348 PolarHBondContact O-N 3.25Å; R344-Q824 PolarHBondContact NH1-O 3.27Å; R344-Q824 PolarHBondContact NH2-O 3.01Å; R344-D825 IonicContact NH1-OD1 2.96Å; R344-D825 PolarHBondContact NH1-OD1 3.11Å
345	E	95.1	Very high	96	Very high	16 Å²	16	21.3 Å²	21.3	8%	0.075	11%	0.109	C	C	.	.	H	α-helix	trans	-44.2	-45.5	168.2	-77	-179.4	-115.1	0	0	112.8	P288 A326 I327 A347 L348 L349 Q790 R822	P288-E345 HydrophobicContact CG-CG 4.48Å; A326-E345 HydrophobicContact CB-CG 4.36Å; I327-E345 PolarHBondContact O-N 2.66Å; E345-A347 PolarHBondContact O-N 3.31Å; E345-L348 PolarHBondContact O-N 3.16Å; E345-L349 HydrophobicContact CB-CD1 4.1Å; E345-L349 HydrophobicContact CG-CD1 3.99Å; E345-L349 WeakPolarHBondContact O-CB 3.32Å; E345-L349 PolarHBondContact O-N 3.12Å; E345-Q790 HydrophobicContact CB-CB 4.41Å; E345-R822 IonicContact OE1-CZ 3.28Å; E345-R822 IonicContact OE1-NH1 3.26Å; E345-R822 PolarHBondContact OE1-NH1 2.98Å; E345-R822 IonicContact OE1-NH2 2.65Å; E345-R822 PolarHBondContact OE1-NH2 3.13Å; E345-R822 IonicContact OE2-NH2 3.72Å
346	T	94.6	Very high	95.7	Very high	32 Å²	32	21.4 Å²	21.4	20%	0.196	11%	0.11	C	C	.	.	H	α-helix	trans	-74.7	-0.5	-178.3	63.5	0	0	0	0	114.9	R344 Q790 E791	R344-T346 PolarHBondContact O-N 3.18Å; R344-T346 VanDerWaalsContact O-N 3.11Å; T346-Q790 HydrophobicContact CG2-CB 4.38Å; T346-Q790 HydrophobicContact CG2-CG 4.34Å; T346-E791 HydrophobicContact CG2-CB 4.5Å
347	A	97.1	Very high	95.5	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-111.8	-0.2	176.2	0	0	0	0	0	112.7	Y343 R344 E345 V366	Y343-A347 HydrophobicContact CD1-CB 4.23Å; Y343-A347 WeakPolarHBondContact CD1-O 3.13Å; R344-A347 HydrophobicContact CB-CB 4.34Å; R344-A347 PolarHBondContact O-N 3.25Å; E345-A347 PolarHBondContact O-N 3.31Å; A347-V366 HydrophobicContact CB-CG1 4.41Å
348	L	98.1	Very high	95.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-135.6	-29.8	-179	-165.3	67.2	0	0	0	114.5	V285 A298 L324 A326 Y343 R344 E345 V367	V285-L348 HydrophobicContact CG1-CD1 4.39Å; V285-L348 HydrophobicContact CG1-CD2 3.82Å; V285-L348 HydrophobicContact CG1-CG 3.96Å; A298-L348 HydrophobicContact CB-CD1 3.44Å; A298-L348 VanDerWaalsContact CB-CD1 3.44Å; A298-L348 HydrophobicContact CB-CG 4.05Å; A298-L348 WeakPolarHBondContact CB-O 3.36Å; L324-L348 HydrophobicContact CB-CD1 4.03Å; L324-L348 HydrophobicContact CB-CD2 4.19Å; L324-L348 HydrophobicContact CD2-CD1 3.88Å; A326-L348 HydrophobicContact CB-CB 4.48Å; A326-L348 HydrophobicContact CB-CD2 4.02Å; Y343-L348 HydrophobicContact CD1-CB 4.12Å; Y343-L348 HydrophobicContact CD1-CD1 3.93Å; Y343-L348 HydrophobicContact CD2-CB 4.48Å; Y343-L348 HydrophobicContact CD2-CD1 3.85Å; Y343-L348 HydrophobicContact CD2-CD2 3.83Å; Y343-L348 HydrophobicContact CD2-CG 4.29Å; Y343-L348 HydrophobicContact CE1-CD1 3.89Å; Y343-L348 HydrophobicContact CE2-CD1 3.81Å; Y343-L348 HydrophobicContact CE2-CD2 4.42Å; Y343-L348 HydrophobicContact CG-CB 3.93Å; Y343-L348 HydrophobicContact CG-CD1 3.92Å; Y343-L348 HydrophobicContact CG-CD2 4.09Å; Y343-L348 HydrophobicContact CG-CG 4.21Å; R344-L348 PolarHBondContact O-N 3.25Å; E345-L348 PolarHBondContact O-N 3.16Å; L348-V367 HydrophobicContact CD1-CG2 3.93Å
349	L	97.4	Very high	95.1	Very high	11 Å²	11	25.9 Å²	25.9	6%	0.058	14%	0.142	C	C	.	.			trans	-99.2	130.5	-171.8	-54.6	-176.2	0	0	0	112.1	T287 Q294 A326 E345	T287-L349 HydrophobicContact CG2-CD2 3.63Å; Q294-L349 HydrophobicContact CB-CB 4.04Å; Q294-L349 HydrophobicContact CB-CD2 4.38Å; A326-L349 HydrophobicContact CB-CD1 3.96Å; A326-L349 HydrophobicContact CB-CD2 3.92Å; A326-L349 HydrophobicContact CB-CG 3.9Å; E345-L349 HydrophobicContact CB-CD1 4.1Å; E345-L349 HydrophobicContact CG-CD1 3.99Å; E345-L349 WeakPolarHBondContact O-CB 3.32Å; E345-L349 PolarHBondContact O-N 3.12Å
350	I	97.4	Very high	95	Very high	3 Å²	3	29 Å²	29	2%	0.015	15%	0.154	C	C	.	.			trans	-128.6	114.8	176.7	-67.5	-61.9	0	0	0	109.7	Q294 F297 P352 R360 V363	Q294-I350 VanDerWaalsContact CA-O 3.31Å; Q294-I350 WeakPolarHBondContact CA-O 3.41Å; Q294-I350 PolarHBondContact O-N 3.12Å; F297-I350 HydrophobicContact CB-CB 4.05Å; F297-I350 HydrophobicContact CB-CG1 4.29Å; F297-I350 HydrophobicContact CB-CG2 4.33Å; F297-I350 HydrophobicContact CD1-CB 4.47Å; F297-I350 HydrophobicContact CD1-CG1 3.81Å; F297-I350 HydrophobicContact CG-CG1 4.33Å; I350-P352 WeakPolarHBondContact O-CD 3.32Å; I350-R360 HydrophobicContact CD1-CB 4.49Å; I350-R360 HydrophobicContact CD1-CG 4.02Å; I350-R360 HydrophobicContact CG1-CG 4.42Å; I350-R360 HydrophobicContact CG2-CG 3.9Å; I350-V363 HydrophobicContact CD1-CB 4.31Å; I350-V363 HydrophobicContact CD1-CG2 3.75Å; I350-V363 HydrophobicContact CG1-CB 4.18Å; I350-V363 HydrophobicContact CG1-CG1 4.37Å; I350-V363 HydrophobicContact CG1-CG2 3.93Å
351	D	94.6	Very high	94.8	Very high	32 Å²	32	29.9 Å²	29.9	17%	0.171	16%	0.158	C	C	.	.			trans	-80.4	123.1	165	178.5	-90.7	0	0	0	109.6	Q294 K353 N354 S355 M789	Q294-D351 HydrophobicContact CG-CB 4.41Å; D351-K353 PolarHBondContact O-N 3.06Å; D351-K353 WeakPolarHBondContact OD1-CA 3.35Å; D351-K353 WeakPolarHBondContact OD1-CB 3.44Å; D351-K353 PolarHBondContact OD1-N 2.91Å; D351-N354 HydrophobicContact CB-CB 4.17Å; D351-N354 PolarHBondContact O-N 3.46Å; D351-N354 WeakPolarHBondContact OD1-CB 3.47Å; D351-N354 PolarHBondContact OD1-N 2.95Å; D351-N354 PolarHBondContact OD1-ND2 2.98Å; D351-S355 PolarHBondContact N-OG 3.2Å; D351-S355 WeakPolarHBondContact O-CB 3.4Å; D351-S355 PolarHBondContact O-N 3.32Å; D351-S355 PolarHBondContact O-OG 3.21Å; D351-M789 HydrophobicContact CB-CE 3.73Å; D351-M789 HydrophobicContact CB-SD 3.68Å
352	P	87.4	Confident	94.7	Very high	84 Å²	84	36 Å²	36	55%	0.545	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-15	-173.9	-28.1	36.4	0	0	0	116.3	I350 R360	I350-P352 WeakPolarHBondContact O-CD 3.32Å; P352-R360 PolarHBondContact O-NH2 3.23Å; P352-R360 VanDerWaalsContact O-NH2 3.12Å
353	K	87.1	Confident	94.7	Very high	178 Å²	178	36 Å²	36	77%	0.774	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-21	-176.1	-59.1	169.2	-175.6	167	0	113.6	D351	D351-K353 PolarHBondContact O-N 3.06Å; D351-K353 WeakPolarHBondContact OD1-CA 3.35Å; D351-K353 WeakPolarHBondContact OD1-CB 3.44Å; D351-K353 PolarHBondContact OD1-N 2.91Å
354	N	91.3	Very high	94.7	Very high	47 Å²	47	36 Å²	36	25%	0.251	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-15.3	-168	-66.6	-80.7	0	0	0	114.6	D351 A758 R761 M789 R795	D351-N354 HydrophobicContact CB-CB 4.17Å; D351-N354 PolarHBondContact O-N 3.46Å; D351-N354 WeakPolarHBondContact OD1-CB 3.47Å; D351-N354 PolarHBondContact OD1-N 2.95Å; D351-N354 PolarHBondContact OD1-ND2 2.98Å; N354-A758 WeakPolarHBondContact O-CB 3.49Å; N354-R761 PolarHBondContact OD1-NH1 3.1Å; N354-R761 PolarHBondContact OD1-NH2 3.16Å; N354-M789 HydrophobicContact CB-CE 3.84Å; N354-M789 HydrophobicContact CB-SD 3.42Å; N354-M789 WeakPolarHBondContact CB-SD 3.47Å; N354-R795 PolarHBondContact O-NH1 3.37Å
355	S	93.9	Very high	94.8	Very high	7 Å²	7	35.2 Å²	35.2	5%	0.049	18%	0.179	C	C	.	.	S	Bend	trans	-82.2	135.7	170.2	-62	0	0	0	0	111.1	D351 M789 E791	D351-S355 PolarHBondContact N-OG 3.2Å; D351-S355 WeakPolarHBondContact O-CB 3.4Å; D351-S355 PolarHBondContact O-N 3.32Å; D351-S355 PolarHBondContact O-OG 3.21Å; S355-M789 WeakPolarHBondContact OG-CE 3.42Å; S355-E791 WeakPolarHBondContact CA-OE1 3.46Å; S355-E791 VanDerWaalsContact CA-OE2 3.25Å; S355-E791 WeakPolarHBondContact CA-OE2 3.38Å; S355-E791 WeakPolarHBondContact CB-OE2 3.39Å; S355-E791 PolarHBondContact OG-OE2 3.08Å
356	C	92.3	Very high	95	Very high	7 Å²	7	34.9 Å²	34.9	5%	0.047	18%	0.178	C	C	.	.			trans	-80.8	162.2	179.9	57.1	0	0	0	0	112.2	S358 S359 R360 A758 D759 E791 R795	C356-S358 PolarHBondContact O-N 2.98Å; C356-S358 PolarHBondContact SG-OG 2.76Å; C356-S359 WeakPolarHBondContact O-CB 3.5Å; C356-S359 PolarHBondContact O-N 3.38Å; C356-S359 PolarHBondContact SG-OG 3.43Å; C356-R360 PolarHBondContact O-N 2.93Å; C356-R360 VanDerWaalsContact O-N 3.16Å; C356-A758 HydrophobicContact CB-CB 3.85Å; C356-D759 HydrophobicContact CB-CB 4.48Å; C356-D759 VanDerWaalsContact CB-OD1 3.27Å; C356-D759 WeakPolarHBondContact CB-OD1 3.19Å; C356-E791 PolarHBondContact N-OE1 3.35Å; C356-R795 PolarHBondContact SG-NH2 3.06Å
357	S	93.5	Very high	95.2	Very high	21 Å²	21	33.3 Å²	33.3	15%	0.147	17%	0.168	C	C	.	.	H	α-helix	trans	-56.4	-37.7	-179.1	-69.4	0	0	0	0	112.3	S359 R360 Q361 H717 D759	S357-S359 VanDerWaalsContact C-N 3.34Å; S357-S359 PolarHBondContact O-N 3.08Å; S357-R360 PolarHBondContact O-N 2.97Å; S357-Q361 PolarHBondContact O-N 3.48Å; S357-H717 PolarHBondContact O-CE1 3.26Å; S357-D759 WeakPolarHBondContact CB-OD1 3.43Å; S357-D759 PolarHBondContact N-OD1 3.41Å
358	S	93.6	Very high	95.2	Very high	57 Å²	57	33.3 Å²	33.3	40%	0.399	17%	0.168	S	C	.	.	H	α-helix	trans	-65.3	-34.1	175.2	51.2	0	0	0	0	113.3	C356 W362	C356-S358 PolarHBondContact O-N 2.98Å; C356-S358 PolarHBondContact SG-OG 2.76Å; S358-W362 VanDerWaalsContact O-CB 3.31Å; S358-W362 WeakPolarHBondContact O-CB 3.37Å; S358-W362 PolarHBondContact O-N 3.05Å
359	S	95.2	Very high	95.3	Very high	21 Å²	21	34.1 Å²	34.1	15%	0.147	17%	0.172	C	C	.	.	H	α-helix	trans	-67.8	-40.8	174.9	-55.1	0	0	0	0	110.9	C356 S357 W362 V363 E791	C356-S359 WeakPolarHBondContact O-CB 3.5Å; C356-S359 PolarHBondContact O-N 3.38Å; C356-S359 PolarHBondContact SG-OG 3.43Å; S357-S359 VanDerWaalsContact C-N 3.34Å; S357-S359 PolarHBondContact O-N 3.08Å; S359-W362 PolarHBondContact O-N 3.34Å; S359-V363 WeakPolarHBondContact O-CG2 3.47Å; S359-V363 PolarHBondContact O-N 3.3Å; S359-E791 WeakPolarHBondContact CB-OE1 3.19Å; S359-E791 PolarHBondContact OG-OE1 2.87Å
360	R	95.6	Very high	95.3	Very high	66 Å²	66	34 Å²	34	25%	0.249	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-47.5	175.1	-66.2	173.1	173	-96	12.3	111.6	F297 I350 P352 C356 S357 W362 V363 A364	F297-R360 HydrophobicContact CE1-CB 4.41Å; F297-R360 VanDerWaalsContact CE1-O 3.26Å; F297-R360 WeakPolarHBondContact CE1-O 3.44Å; F297-R360 HydrophobicContact CZ-CB 4.44Å; I350-R360 HydrophobicContact CD1-CB 4.49Å; I350-R360 HydrophobicContact CD1-CG 4.02Å; I350-R360 HydrophobicContact CG1-CG 4.42Å; I350-R360 HydrophobicContact CG2-CG 3.9Å; P352-R360 PolarHBondContact O-NH2 3.23Å; P352-R360 VanDerWaalsContact O-NH2 3.12Å; C356-R360 PolarHBondContact O-N 2.93Å; C356-R360 VanDerWaalsContact O-N 3.16Å; S357-R360 PolarHBondContact O-N 2.97Å; R360-W362 VanDerWaalsContact C-N 3.34Å; R360-W362 PolarHBondContact O-N 3.5Å; R360-V363 PolarHBondContact O-N 3.04Å; R360-A364 PolarHBondContact O-N 3.36Å
361	Q	96	Very high	95.4	Very high	18 Å²	18	33.9 Å²	33.9	8%	0.084	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-41.3	176.4	-172.2	-171.5	-59.8	0	0	112	S357 A364 L365 Y410 I412 Q415 H717	S357-Q361 PolarHBondContact O-N 3.48Å; Q361-A364 PolarHBondContact O-N 2.98Å; Q361-L365 HydrophobicContact CG-CD1 4.5Å; Q361-L365 PolarHBondContact O-N 2.93Å; Q361-Y410 HydrophobicContact CB-CD2 4.27Å; Q361-Y410 HydrophobicContact CB-CE2 4.22Å; Q361-Y410 HydrophobicContact CG-CD2 3.87Å; Q361-Y410 HydrophobicContact CG-CE2 4.29Å; Q361-Y410 HydrophobicContact CG-CG 4.42Å; Q361-I412 HydrophobicContact CG-CD1 3.62Å; Q361-Q415 VanDerWaalsContact CD-NE2 3.34Å; Q361-Q415 VanDerWaalsContact NE2-CD 3.31Å; Q361-H717 PolarHBondContact OE1-NE2 3.03Å
362	W	96.4	Very high	95.6	Very high	127 Å²	127	32.4 Å²	32.4	48%	0.481	16%	0.162	S	C	.	.	H	α-helix	trans	-61.6	-45.3	175.9	175.9	-107.1	0	0	0	112.4	S358 S359 R360 A364 L365 V366	S358-W362 VanDerWaalsContact O-CB 3.31Å; S358-W362 WeakPolarHBondContact O-CB 3.37Å; S358-W362 PolarHBondContact O-N 3.05Å; S359-W362 PolarHBondContact O-N 3.34Å; R360-W362 VanDerWaalsContact C-N 3.34Å; R360-W362 PolarHBondContact O-N 3.5Å; W362-A364 VanDerWaalsContact C-N 3.31Å; W362-A364 PolarHBondContact O-N 3.29Å; W362-L365 PolarHBondContact O-N 2.93Å; W362-V366 HydrophobicContact CD2-CG2 3.91Å; W362-V366 VanDerWaalsContact CE2-CG2 3.49Å; W362-V366 HydrophobicContact CE3-CG2 4.2Å; W362-V366 HydrophobicContact CH2-CG2 3.76Å; W362-V366 HydrophobicContact CZ2-CG2 3.44Å; W362-V366 VanDerWaalsContact CZ2-CG2 3.44Å; W362-V366 HydrophobicContact CZ3-CG2 4.13Å; W362-V366 WeakPolarHBondContact O-CG2 3.33Å; W362-V366 PolarHBondContact O-N 3.21Å
363	V	98.1	Very high	96.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-64.2	-36.3	175.1	174.3	0	0	0	0	111.5	F297 A298 I350 S359 R360 V367	F297-V363 HydrophobicContact CD1-CB 4.32Å; F297-V363 HydrophobicContact CD1-CG1 3.96Å; F297-V363 HydrophobicContact CE1-CB 4.31Å; F297-V363 HydrophobicContact CE1-CG1 4.27Å; A298-V363 HydrophobicContact CB-CG1 4.16Å; I350-V363 HydrophobicContact CD1-CB 4.31Å; I350-V363 HydrophobicContact CD1-CG2 3.75Å; I350-V363 HydrophobicContact CG1-CB 4.18Å; I350-V363 HydrophobicContact CG1-CG1 4.37Å; I350-V363 HydrophobicContact CG1-CG2 3.93Å; S359-V363 WeakPolarHBondContact O-CG2 3.47Å; S359-V363 PolarHBondContact O-N 3.3Å; R360-V363 PolarHBondContact O-N 3.04Å; V363-V367 HydrophobicContact CG1-CG2 4.16Å; V363-V367 VanDerWaalsContact O-CB 3.29Å; V363-V367 WeakPolarHBondContact O-CB 3.35Å; V363-V367 WeakPolarHBondContact O-CG2 3.31Å; V363-V367 PolarHBondContact O-N 3.39Å
364	A	98.3	Very high	96.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.5	-40.5	176.4	0	0	0	0	0	112.9	F297 V301 R360 Q361 W362 G368 V403 F407 Y410	F297-A364 HydrophobicContact CE1-CB 4.16Å; F297-A364 HydrophobicContact CZ-CB 4.18Å; V301-A364 HydrophobicContact CG2-CB 4.26Å; R360-A364 PolarHBondContact O-N 3.36Å; Q361-A364 PolarHBondContact O-N 2.98Å; W362-A364 VanDerWaalsContact C-N 3.31Å; W362-A364 PolarHBondContact O-N 3.29Å; A364-G368 PolarHBondContact O-N 3.45Å; A364-G368 VanDerWaalsContact O-N 3.17Å; A364-V403 HydrophobicContact CB-CG2 4.2Å; A364-V403 WeakPolarHBondContact O-CG2 3.36Å; A364-F407 HydrophobicContact CB-CD2 4.31Å; A364-F407 HydrophobicContact CB-CE2 4.19Å; A364-Y410 HydrophobicContact CB-CE2 4.29Å
365	L	98.2	Very high	97	Very high	11 Å²	11	17.9 Å²	17.9	6%	0.058	9%	0.088	C	C	.	.	H	α-helix	trans	-63.3	-60.3	174	-81.4	169.8	0	0	0	111.2	Q361 W362 V367 G368 H369 E399 Y400 V403 I412	Q361-L365 HydrophobicContact CG-CD1 4.5Å; Q361-L365 PolarHBondContact O-N 2.93Å; W362-L365 PolarHBondContact O-N 2.93Å; L365-V367 PolarHBondContact O-N 3.26Å; L365-G368 CarbonylContact O-C 3.57Å; L365-G368 WeakPolarHBondContact O-CA 3.48Å; L365-G368 PolarHBondContact O-N 3.49Å; L365-H369 PolarHBondContact O-N 2.96Å; L365-E399 WeakPolarHBondContact CB-OE2 3.29Å; L365-E399 HydrophobicContact CD2-CB 4.34Å; L365-E399 HydrophobicContact CD2-CG 4Å; L365-Y400 HydrophobicContact CD2-CD1 4.33Å; L365-Y400 HydrophobicContact CD2-CD2 4.37Å; L365-Y400 HydrophobicContact CD2-CE1 4.31Å; L365-Y400 HydrophobicContact CD2-CE2 4.37Å; L365-Y400 HydrophobicContact CD2-CG 4.36Å; L365-V403 HydrophobicContact CD2-CB 4.38Å; L365-V403 HydrophobicContact CD2-CG2 4.04Å; L365-V403 HydrophobicContact CG-CG2 4.32Å; L365-I412 HydrophobicContact CD1-CD1 4.16Å; L365-I412 HydrophobicContact CD2-CD1 4.39Å; L365-I412 HydrophobicContact CD2-CG1 4.07Å; L365-I412 HydrophobicContact CG-CD1 4.38Å
366	V	98.4	Very high	97.2	Very high	8 Å²	8	17.6 Å²	17.6	5%	0.048	9%	0.087	C	C	.	.	H	α-helix	trans	-59.8	-42.8	-176.1	-177.6	0	0	0	0	111.8	A334 Y343 A347 W362 G368 H369 E370	A334-V366 HydrophobicContact CB-CG1 3.8Å; Y343-V366 HydrophobicContact CD1-CG1 4.05Å; Y343-V366 HydrophobicContact CE1-CG1 3.93Å; A347-V366 HydrophobicContact CB-CG1 4.41Å; W362-V366 HydrophobicContact CD2-CG2 3.91Å; W362-V366 VanDerWaalsContact CE2-CG2 3.49Å; W362-V366 HydrophobicContact CE3-CG2 4.2Å; W362-V366 HydrophobicContact CH2-CG2 3.76Å; W362-V366 HydrophobicContact CZ2-CG2 3.44Å; W362-V366 VanDerWaalsContact CZ2-CG2 3.44Å; W362-V366 HydrophobicContact CZ3-CG2 4.13Å; W362-V366 WeakPolarHBondContact O-CG2 3.33Å; W362-V366 PolarHBondContact O-N 3.21Å; V366-G368 PolarHBondContact O-N 2.8Å; V366-H369 WeakPolarHBondContact O-CB 3.45Å; V366-H369 PolarHBondContact O-N 2.89Å; V366-H369 VanDerWaalsContact O-N 3.08Å; V366-E370 HydrophobicContact CG1-CG 4.13Å; V366-E370 WeakPolarHBondContact O-CG 3.29Å; V366-E370 PolarHBondContact O-N 2.84Å
367	V	98.8	Very high	97.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.2	-28.9	174.1	175.1	0	0	0	0	111.8	A298 V301 A302 L324 Y343 L348 V363 L365 L371	A298-V367 HydrophobicContact CB-CG2 4.08Å; V301-V367 HydrophobicContact CB-CB 4.41Å; V301-V367 HydrophobicContact CB-CG1 4Å; V301-V367 HydrophobicContact CG1-CB 3.93Å; V301-V367 HydrophobicContact CG1-CG1 3.69Å; A302-V367 HydrophobicContact CB-CG1 4.05Å; L324-V367 HydrophobicContact CD2-CG1 3.92Å; L324-V367 HydrophobicContact CD2-CG2 4.23Å; Y343-V367 HydrophobicContact CE1-CG2 3.75Å; L348-V367 HydrophobicContact CD1-CG2 3.93Å; V363-V367 HydrophobicContact CG1-CG2 4.16Å; V363-V367 VanDerWaalsContact O-CB 3.29Å; V363-V367 WeakPolarHBondContact O-CB 3.35Å; V363-V367 WeakPolarHBondContact O-CG2 3.31Å; V363-V367 PolarHBondContact O-N 3.39Å; L365-V367 PolarHBondContact O-N 3.26Å; V367-L371 HydrophobicContact CG1-CD1 3.87Å; V367-L371 VanDerWaalsContact O-CB 3.29Å; V367-L371 WeakPolarHBondContact O-CB 3.22Å; V367-L371 VanDerWaalsContact O-CD1 3.32Å; V367-L371 WeakPolarHBondContact O-CD1 3.42Å; V367-L371 WeakPolarHBondContact O-CG 3.33Å; V367-L371 PolarHBondContact O-N 3.43Å
368	G	98.4	Very high	97.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.9	-48.6	167.6	0	0	0	0	0	113.2	Y309 A364 L365 V366 L371 A372	Y309-G368 WeakPolarHBondContact CE2-O 3.3Å; Y309-G368 PolarHBondContact OH-O 3.49Å; A364-G368 PolarHBondContact O-N 3.45Å; A364-G368 VanDerWaalsContact O-N 3.17Å; L365-G368 CarbonylContact O-C 3.57Å; L365-G368 WeakPolarHBondContact O-CA 3.48Å; L365-G368 PolarHBondContact O-N 3.49Å; V366-G368 PolarHBondContact O-N 2.8Å; G368-L371 PolarHBondContact O-N 3.24Å; G368-A372 PolarHBondContact O-N 3.09Å
369	H	98.6	Very high	97.8	Very high	17 Å²	17	13.8 Å²	13.8	8%	0.079	6%	0.059	C	C	.	.	H	α-helix	trans	-59.1	-56.7	-179.6	-170.5	87.2	0	0	0	111.9	L365 V366 L371 A372 H373 E392 A395 S396 E399	L365-H369 PolarHBondContact O-N 2.96Å; V366-H369 WeakPolarHBondContact O-CB 3.45Å; V366-H369 PolarHBondContact O-N 2.89Å; V366-H369 VanDerWaalsContact O-N 3.08Å; H369-L371 PolarHBondContact O-N 3.45Å; H369-L371 VanDerWaalsContact O-N 3.17Å; H369-A372 WeakPolarHBondContact O-CB 3.49Å; H369-A372 PolarHBondContact O-N 2.89Å; H369-H373 AromaticContact CD2-CD2 3.55Å; H369-H373 AromaticContact CD2-NE2 3.28Å; H369-H373 PolarHBondContact CD2-NE2 3.48Å; H369-H373 VanDerWaalsContact CD2-NE2 3.28Å; H369-H373 AromaticContact CE1-NE2 3.7Å; H369-H373 AromaticContact NE2-CD2 3.68Å; H369-H373 AromaticContact NE2-CE1 3.94Å; H369-H373 AromaticContact NE2-NE2 2.89Å; H369-H373 PolarHBondContact NE2-NE2 3.05Å; H369-H373 PolarHBondContact O-CD2 3.26Å; H369-H373 PolarHBondContact O-N 3.35Å; H369-E392 IonicContact CE1-OE2 2.76Å; H369-E392 PolarHBondContact CE1-OE2 3.39Å; H369-E392 VanDerWaalsContact CE1-OE2 3.26Å; H369-E392 IonicContact NE2-OE2 2.68Å; H369-E392 PolarHBondContact NE2-OE2 2.92Å; H369-A395 WeakPolarHBondContact CE1-CB 3.15Å; H369-A395 VanDerWaalsContact ND1-C 3.31Å; H369-A395 WeakPolarHBondContact ND1-CB 3.43Å; H369-S396 PolarHBondContact CE1-N 2.8Å; H369-S396 PolarHBondContact CE1-OG 3.36Å; H369-S396 PolarHBondContact ND1-N 3.37Å; H369-E399 HydrophobicContact CB-CB 4.23Å
370	E	98.6	Very high	98	Very high	10 Å²	10	12.9 Å²	12.9	5%	0.047	5%	0.053	C	C	.	.	H	α-helix	trans	-60.1	-31.5	-179.8	-58	-51.3	129.3	0	0	113.4	A334 M335 E336 V341 Y343 V366 Q374	A334-E370 HydrophobicContact CB-CG 3.64Å; A334-E370 WeakPolarHBondContact CB-OE1 3.24Å; M335-E370 VanDerWaalsContact CA-OE2 3.28Å; M335-E370 WeakPolarHBondContact CA-OE2 3.31Å; M335-E370 PolarHBondContact N-OE2 3.17Å; M335-E370 VanDerWaalsContact N-OE2 3.08Å; E336-E370 WeakPolarHBondContact CA-OE2 3.45Å; E336-E370 PolarHBondContact N-OE2 3.23Å; E336-E370 VanDerWaalsContact N-OE2 3.08Å; V341-E370 HydrophobicContact CG1-CB 3.49Å; V341-E370 VanDerWaalsContact CG1-CB 3.49Å; V341-E370 HydrophobicContact CG1-CG 3.63Å; Y343-E370 HydrophobicContact CE1-CG 3.8Å; V366-E370 HydrophobicContact CG1-CG 4.13Å; V366-E370 WeakPolarHBondContact O-CG 3.29Å; V366-E370 PolarHBondContact O-N 2.84Å; E370-Q374 PolarHBondContact O-NE2 3.19Å
371	L	98.6	Very high	98.1	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-81.1	-21.6	177.1	-67.6	179.2	0	0	0	112.6	A302 T305 L306 Y309 I322 V367 G368 H369 Q374 W375	A302-L371 HydrophobicContact CB-CD1 3.74Å; T305-L371 HydrophobicContact CG2-CB 3.57Å; T305-L371 HydrophobicContact CG2-CD1 3.66Å; T305-L371 HydrophobicContact CG2-CG 4.26Å; L306-L371 HydrophobicContact CD2-CD2 4.22Å; Y309-L371 HydrophobicContact CD2-CB 4.34Å; Y309-L371 WeakPolarHBondContact CD2-O 3.33Å; Y309-L371 VanDerWaalsContact CE2-C 3.43Å; Y309-L371 HydrophobicContact CE2-CB 3.94Å; I322-L371 HydrophobicContact CD1-CD2 3.39Å; I322-L371 HydrophobicContact CG1-CD2 4.37Å; V367-L371 HydrophobicContact CG1-CD1 3.87Å; V367-L371 VanDerWaalsContact O-CB 3.29Å; V367-L371 WeakPolarHBondContact O-CB 3.22Å; V367-L371 VanDerWaalsContact O-CD1 3.32Å; V367-L371 WeakPolarHBondContact O-CD1 3.42Å; V367-L371 WeakPolarHBondContact O-CG 3.33Å; V367-L371 PolarHBondContact O-N 3.43Å; G368-L371 PolarHBondContact O-N 3.24Å; H369-L371 PolarHBondContact O-N 3.45Å; H369-L371 VanDerWaalsContact O-N 3.17Å; L371-Q374 HydrophobicContact CD2-CG 4.33Å; L371-Q374 WeakPolarHBondContact O-CB 3.39Å; L371-Q374 WeakPolarHBondContact O-CG 3.29Å; L371-W375 VanDerWaalsContact O-CZ3 3.29Å; L371-W375 WeakPolarHBondContact O-CZ3 3.24Å
372	A	98.6	Very high	98.2	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-72.5	-38.6	171.6	0	0	0	0	0	111.1	Y309 G368 H369 Q374 W375 F376 A395 I398	Y309-A372 HydrophobicContact CE1-CB 4.45Å; Y309-A372 HydrophobicContact CE2-CB 3.82Å; Y309-A372 VanDerWaalsContact CE2-N 3.26Å; G368-A372 PolarHBondContact O-N 3.09Å; H369-A372 WeakPolarHBondContact O-CB 3.49Å; H369-A372 PolarHBondContact O-N 2.89Å; A372-Q374 PolarHBondContact O-N 3.04Å; A372-Q374 VanDerWaalsContact O-N 3.11Å; A372-W375 PolarHBondContact O-N 2.85Å; A372-F376 WeakPolarHBondContact O-CD2 3.43Å; A372-F376 PolarHBondContact O-N 3.41Å; A372-A395 HydrophobicContact CB-CB 4.07Å; A372-I398 HydrophobicContact CB-CG2 3.53Å
373	H	98.6	Very high	98.2	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.009	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22	176.3	-76.4	-69.1	0	0	0	114.5	E336 H369 W375 F376 G377 N378 E392 A395	E336-H373 HydrophobicContact CB-CB 3.35Å; E336-H373 HydrophobicContact CG-CB 3.57Å; E336-H373 IonicContact OE1-CG 2.67Å; E336-H373 IonicContact OE1-ND1 3.58Å; H369-H373 AromaticContact CD2-CD2 3.55Å; H369-H373 AromaticContact CD2-NE2 3.28Å; H369-H373 PolarHBondContact CD2-NE2 3.48Å; H369-H373 VanDerWaalsContact CD2-NE2 3.28Å; H369-H373 AromaticContact CE1-NE2 3.7Å; H369-H373 AromaticContact NE2-CD2 3.68Å; H369-H373 AromaticContact NE2-CE1 3.94Å; H369-H373 AromaticContact NE2-NE2 2.89Å; H369-H373 PolarHBondContact NE2-NE2 3.05Å; H369-H373 PolarHBondContact O-CD2 3.26Å; H369-H373 PolarHBondContact O-N 3.35Å; H373-W375 CarbonylContact O-C 3.57Å; H373-W375 PolarHBondContact O-N 3.02Å; H373-F376 WeakPolarHBondContact CA-O 3.44Å; H373-F376 PolarHBondContact ND1-O 3.36Å; H373-F376 CarbonylContact O-C 3.5Å; H373-F376 PolarHBondContact O-N 2.96Å; H373-G377 PolarHBondContact O-N 3.17Å; H373-N378 WeakPolarHBondContact O-CB 3.07Å; H373-N378 PolarHBondContact O-N 3.45Å; H373-E392 IonicContact CE1-OE2 2.86Å; H373-E392 PolarHBondContact CE1-OE2 2.69Å; H373-E392 IonicContact NE2-OE2 3.97Å; H373-E392 PolarHBondContact NE2-OE2 2.87Å; H373-A395 WeakPolarHBondContact NE2-CB 3.45Å
374	Q	98.6	Very high	98.1	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.005	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-21	171.3	-50.1	-54.8	-58.1	0	0	112.7	Y317 I322 E336 E370 L371 A372 N378 L379	Y317-Q374 HydrophobicContact CD2-CB 3.9Å; Y317-Q374 HydrophobicContact CD2-CG 4.33Å; Y317-Q374 HydrophobicContact CE2-CB 3.76Å; Y317-Q374 HydrophobicContact CE2-CG 3.84Å; I322-Q374 HydrophobicContact CD1-CG 4.03Å; E336-Q374 PolarHBondContact O-NE2 3.21Å; E370-Q374 PolarHBondContact O-NE2 3.19Å; L371-Q374 HydrophobicContact CD2-CG 4.33Å; L371-Q374 WeakPolarHBondContact O-CB 3.39Å; L371-Q374 WeakPolarHBondContact O-CG 3.29Å; A372-Q374 PolarHBondContact O-N 3.04Å; A372-Q374 VanDerWaalsContact O-N 3.11Å; Q374-N378 VanDerWaalsContact CD-ND2 3.33Å; Q374-N378 PolarHBondContact NE2-ND2 3.27Å; Q374-N378 PolarHBondContact OE1-ND2 3.38Å; Q374-N378 VanDerWaalsContact OE1-ND2 3.12Å; Q374-L379 WeakPolarHBondContact O-CB 3.24Å; Q374-L379 PolarHBondContact O-N 3Å
375	W	98.6	Very high	97.8	Very high	1 Å²	1	7 Å²	7	0%	0.004	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-44.9	165.6	-68.8	-100.7	0	0	0	112.4	L306 Y309 V315 Y317 L371 A372 H373 V380 L482	L306-W375 HydrophobicContact CD2-CH2 4.23Å; L306-W375 HydrophobicContact CD2-CZ3 4.35Å; Y309-W375 HydrophobicContact CD2-CE3 4.23Å; Y309-W375 AromaticContact CD2-CZ3 3.83Å; Y309-W375 HydrophobicContact CD2-CZ3 3.83Å; Y309-W375 HydrophobicContact CG-CE3 4.44Å; Y309-W375 HydrophobicContact CG-CZ3 4.17Å; V315-W375 WeakPolarHBondContact O-CZ2 3.33Å; V315-W375 PolarHBondContact O-NE1 3.02Å; Y317-W375 HydrophobicContact CD2-CH2 4.45Å; L371-W375 VanDerWaalsContact O-CZ3 3.29Å; L371-W375 WeakPolarHBondContact O-CZ3 3.24Å; A372-W375 PolarHBondContact O-N 2.85Å; H373-W375 CarbonylContact O-C 3.57Å; H373-W375 PolarHBondContact O-N 3.02Å; W375-V380 PolarHBondContact O-N 2.93Å; W375-V380 VanDerWaalsContact O-N 3.13Å; W375-L482 HydrophobicContact CB-CD2 4.08Å
376	F	97.9	Very high	97.5	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.009	4%	0.035	C	C	.	.	B	Isolated β-bridge	trans	-103.6	80.7	-175.8	-55	-75.3	0	0	0	113.3	F313 A372 H373 N391 F394 M478 Y481 L482	F313-F376 HydrophobicContact CD1-CZ 4.28Å; F313-F376 HydrophobicContact CD2-CE2 4.41Å; F313-F376 AromaticContact CE1-CE2 3.93Å; F313-F376 HydrophobicContact CE1-CE2 3.93Å; F313-F376 AromaticContact CE1-CZ 3.6Å; F313-F376 HydrophobicContact CE1-CZ 3.6Å; F313-F376 AromaticContact CE2-CE2 3.57Å; F313-F376 HydrophobicContact CE2-CE2 3.57Å; F313-F376 HydrophobicContact CE2-CZ 4.06Å; F313-F376 AromaticContact CZ-CE2 3.28Å; F313-F376 HydrophobicContact CZ-CE2 3.28Å; F313-F376 AromaticContact CZ-CZ 3.47Å; F313-F376 HydrophobicContact CZ-CZ 3.47Å; F313-F376 VanDerWaalsContact CZ-CZ 3.47Å; A372-F376 WeakPolarHBondContact O-CD2 3.43Å; A372-F376 PolarHBondContact O-N 3.41Å; H373-F376 WeakPolarHBondContact CA-O 3.44Å; H373-F376 PolarHBondContact ND1-O 3.36Å; H373-F376 CarbonylContact O-C 3.5Å; H373-F376 PolarHBondContact O-N 2.96Å; F376-N391 WeakPolarHBondContact O-CA 3.47Å; F376-N391 WeakPolarHBondContact O-CB 3.19Å; F376-F394 HydrophobicContact CB-CB 4.07Å; F376-F394 HydrophobicContact CD1-CB 3.91Å; F376-F394 HydrophobicContact CD1-CD1 4.25Å; F376-F394 HydrophobicContact CD1-CG 4.01Å; F376-F394 HydrophobicContact CD2-CB 4.06Å; F376-F394 HydrophobicContact CE1-CB 4.46Å; F376-F394 AromaticContact CE1-CD1 3.99Å; F376-F394 HydrophobicContact CE1-CD1 3.99Å; F376-F394 HydrophobicContact CE1-CG 4.23Å; F376-F394 HydrophobicContact CG-CB 3.71Å; F376-F394 HydrophobicContact CG-CG 4.32Å; F376-F394 HydrophobicContact CZ-CD1 4.18Å; F376-M478 HydrophobicContact CE1-CE 3.45Å; F376-M478 VanDerWaalsContact CE1-CE 3.45Å; F376-M478 HydrophobicContact CZ-CE 3.83Å; F376-Y481 HydrophobicContact CE1-CE1 4.43Å; F376-L482 HydrophobicContact CE1-CD2 4.01Å; F376-L482 HydrophobicContact CZ-CD1 4.21Å; F376-L482 HydrophobicContact CZ-CD2 4.29Å
377	G	96.5	Very high	97.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	141.5	-47.6	-175.7	0	0	0	0	0	110.2	Y261 H373 V380 T381 N391	Y261-G377 PolarHBondContact OH-O 3.3Å; Y261-G377 VanDerWaalsContact OH-O 3.07Å; H373-G377 PolarHBondContact O-N 3.17Å; G377-V380 CarbonylContact C-O 3.39Å; G377-V380 WeakPolarHBondContact CA-O 3.16Å; G377-V380 PolarHBondContact N-O 3.21Å; G377-T381 WeakPolarHBondContact O-CB 3.34Å; G377-T381 PolarHBondContact O-OG1 3.49Å; G377-N391 VanDerWaalsContact CA-CG 3.43Å; G377-N391 VanDerWaalsContact CA-ND2 3.34Å; G377-N391 WeakPolarHBondContact CA-ND2 3.44Å; G377-N391 WeakPolarHBondContact CA-OD1 3.5Å
378	N	98.3	Very high	97.1	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-66.8	-178	-64.7	-4.9	0	0	0	112.3	K214 L262 E336 W338 H373 Q374	K214-N378 PolarHBondContact NZ-O 3.36Å; L262-N378 HydrophobicContact CD1-CB 4.23Å; L262-N378 WeakPolarHBondContact CD1-OD1 3.31Å; L262-N378 WeakPolarHBondContact CD2-OD1 3.34Å; E336-N378 VanDerWaalsContact CG-OD1 3.31Å; E336-N378 WeakPolarHBondContact CG-OD1 3.33Å; E336-N378 PolarHBondContact O-ND2 3.21Å; E336-N378 VanDerWaalsContact O-ND2 3.08Å; W338-N378 WeakPolarHBondContact CA-ND2 3.32Å; W338-N378 HydrophobicContact CB-CB 4.39Å; W338-N378 HydrophobicContact CD2-CB 3.64Å; W338-N378 HydrophobicContact CE3-CB 3.97Å; W338-N378 HydrophobicContact CG-CB 3.85Å; W338-N378 HydrophobicContact CH2-CB 4.49Å; W338-N378 HydrophobicContact CZ2-CB 4.19Å; W338-N378 HydrophobicContact CZ3-CB 4.39Å; W338-N378 WeakPolarHBondContact CZ3-O 3.14Å; H373-N378 WeakPolarHBondContact O-CB 3.07Å; H373-N378 PolarHBondContact O-N 3.45Å; Q374-N378 VanDerWaalsContact CD-ND2 3.33Å; Q374-N378 PolarHBondContact NE2-ND2 3.27Å; Q374-N378 PolarHBondContact OE1-ND2 3.38Å; Q374-N378 VanDerWaalsContact OE1-ND2 3.12Å
379	L	98.5	Very high	97	Very high	4 Å²	4	8.2 Å²	8.2	2%	0.021	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-46.4	-177.3	-172.6	63.7	0	0	0	111.9	V315 W338 Q374 Q486 H487	V315-L379 HydrophobicContact CG1-CD2 3.78Å; W338-L379 HydrophobicContact CH2-CB 4.29Å; W338-L379 HydrophobicContact CH2-CD1 4Å; W338-L379 HydrophobicContact CZ2-CB 4.17Å; W338-L379 HydrophobicContact CZ2-CD1 4.11Å; Q374-L379 WeakPolarHBondContact O-CB 3.24Å; Q374-L379 PolarHBondContact O-N 3Å; L379-Q486 HydrophobicContact CD1-CB 3.8Å; L379-Q486 HydrophobicContact CD2-CB 4.38Å; L379-Q486 HydrophobicContact CG-CB 3.96Å; L379-H487 PolarHBondContact O-N 2.67Å
380	V	98.7	Very high	96.9	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.012	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130	169.2	-175.3	0	0	0	0	108.1	W375 G377 Y481 L482 F485 A490	W375-V380 PolarHBondContact O-N 2.93Å; W375-V380 VanDerWaalsContact O-N 3.13Å; G377-V380 CarbonylContact C-O 3.39Å; G377-V380 WeakPolarHBondContact CA-O 3.16Å; G377-V380 PolarHBondContact N-O 3.21Å; V380-Y481 HydrophobicContact CB-CE1 4.28Å; V380-Y481 HydrophobicContact CG1-CE1 3.9Å; V380-Y481 WeakPolarHBondContact CG1-OH 3.42Å; V380-L482 HydrophobicContact CG2-CD2 3.88Å; V380-F485 HydrophobicContact CB-CB 4.29Å; V380-F485 HydrophobicContact CG1-CB 3.56Å; V380-F485 HydrophobicContact CG1-CG 4.45Å; V380-F485 HydrophobicContact CG2-CB 3.74Å; V380-A490 HydrophobicContact CG1-CB 4.06Å
381	T	98.3	Very high	96.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	155.1	-177.5	-45.8	0	0	0	0	109.5	P211 K214 Y261 G377 K488 N489 A490	P211-T381 HydrophobicContact CB-CG2 4.08Å; K214-T381 WeakPolarHBondContact CE-OG1 3.36Å; K214-T381 PolarHBondContact NZ-OG1 3.08Å; Y261-T381 HydrophobicContact CE1-CG2 3.9Å; G377-T381 WeakPolarHBondContact O-CB 3.34Å; G377-T381 PolarHBondContact O-OG1 3.49Å; T381-K488 PolarHBondContact N-O 3.1Å; T381-N489 CarbonylContact O-C 3.6Å; T381-N489 WeakPolarHBondContact O-CA 3.34Å; T381-N489 WeakPolarHBondContact O-CB 3.31Å; T381-A490 PolarHBondContact O-N 3.02Å
382	M	97.1	Very high	96.7	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	146.5	163.2	63.9	-66.6	-166.3	0	0	112	P211 Y261 W384 W385 H387 L388 N391 N489	P211-M382 HydrophobicContact CB-CE 4.34Å; Y261-M382 HydrophobicContact CE1-CE 4.48Å; M382-W384 WeakPolarHBondContact CB-O 3.09Å; M382-W384 WeakPolarHBondContact CG-O 3.45Å; M382-W385 HydrophobicContact CE-CD2 4.27Å; M382-W385 HydrophobicContact CE-CE3 3.44Å; M382-W385 VanDerWaalsContact CE-CE3 3.44Å; M382-W385 HydrophobicContact CE-CH2 3.76Å; M382-W385 HydrophobicContact CE-CZ3 3.15Å; M382-H387 HydrophobicContact CB-CB 3.95Å; M382-L388 HydrophobicContact CE-CD1 4.03Å; M382-N391 PolarHBondContact SD-ND2 3.17Å; M382-N391 PolarHBondContact SD-OD1 2.96Å; M382-N391 VanDerWaalsContact SD-OD1 3.4Å; M382-N489 PolarHBondContact O-ND2 3.43Å
383	E	96.3	Very high	96.6	Very high	70 Å²	70	7.4 Å²	7.4	33%	0.327	4%	0.036	S	C	.	.	S	Bend	trans	-63.4	-47.8	168.4	-175.4	-77.6	128.5	0	0	110.8	R70 A212 N489 A490	R70-E383 IonicContact CZ-OE1 2.72Å; R70-E383 VanDerWaalsContact CZ-OE1 3.26Å; R70-E383 IonicContact NH1-OE1 3.67Å; R70-E383 PolarHBondContact NH1-OE1 3.17Å; R70-E383 IonicContact NH1-OE2 3.87Å; R70-E383 IonicContact NH2-OE1 3.35Å; R70-E383 PolarHBondContact NH2-OE1 2.91Å; A212-E383 HydrophobicContact CB-CG 4.29Å; A212-E383 WeakPolarHBondContact CB-O 3.22Å; A212-E383 PolarHBondContact N-O 2.99Å; E383-N489 HydrophobicContact CB-CB 4.38Å; E383-A490 PolarHBondContact N-O 2.88Å
384	W	95.3	Very high	96.6	Very high	16 Å²	16	7.4 Å²	7.4	6%	0.061	4%	0.035	C	C	.	.	S	Bend	trans	-140.9	162.8	178.2	-170	-122.7	0	0	0	110.5	F68 E210 P211 M382 T386 H387 V440 P443	F68-W384 AromaticContact CE1-CH2 3.87Å; F68-W384 HydrophobicContact CE1-CH2 3.87Å; F68-W384 AromaticContact CE1-CZ2 3.84Å; F68-W384 HydrophobicContact CE1-CZ2 3.84Å; F68-W384 HydrophobicContact CZ-CH2 4.27Å; E210-W384 HydrophobicContact CB-CZ3 4.09Å; E210-W384 HydrophobicContact CG-CZ3 4.01Å; P211-W384 HydrophobicContact CG-CE3 4.27Å; M382-W384 WeakPolarHBondContact CB-O 3.09Å; M382-W384 WeakPolarHBondContact CG-O 3.45Å; W384-T386 PolarHBondContact O-N 3.38Å; W384-H387 PolarHBondContact O-N 2.9Å; W384-V440 PolarHBondContact NE1-O 3.32Å; W384-P443 HydrophobicContact CH2-CG 4.02Å; W384-P443 HydrophobicContact CZ2-CG 4.33Å
385	W	93.1	Very high	96.5	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.008	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-55.3	-20.4	-179.3	-54.1	106.7	0	0	0	114.2	E197 A198 T199 P211 M382 H387 L388 V440 V446 I449 F450	E197-W385 HydrophobicContact CG-CH2 3.91Å; E197-W385 HydrophobicContact CG-CZ3 4.02Å; E197-W385 WeakPolarHBondContact OE1-CZ3 3.45Å; A198-W385 HydrophobicContact CB-CH2 4.12Å; A198-W385 HydrophobicContact CB-CZ2 4.23Å; A198-W385 HydrophobicContact CB-CZ3 4.35Å; A198-W385 WeakPolarHBondContact O-CH2 3.45Å; A198-W385 WeakPolarHBondContact O-CZ2 3.44Å; T199-W385 HydrophobicContact CG2-CZ2 4.11Å; P211-W385 HydrophobicContact CG-CD2 4.42Å; P211-W385 HydrophobicContact CG-CZ2 3.97Å; M382-W385 HydrophobicContact CE-CD2 4.27Å; M382-W385 HydrophobicContact CE-CE3 3.44Å; M382-W385 VanDerWaalsContact CE-CE3 3.44Å; M382-W385 HydrophobicContact CE-CH2 3.76Å; M382-W385 HydrophobicContact CE-CZ3 3.15Å; W385-H387 PolarHBondContact O-N 3.33Å; W385-H387 VanDerWaalsContact O-N 3.11Å; W385-L388 HydrophobicContact CE3-CD1 4.21Å; W385-L388 HydrophobicContact CZ3-CD1 4.3Å; W385-L388 VanDerWaalsContact O-CB 3.22Å; W385-L388 WeakPolarHBondContact O-CB 3.43Å; W385-L388 PolarHBondContact O-N 2.91Å; W385-V440 HydrophobicContact CB-CB 4.16Å; W385-V440 HydrophobicContact CB-CG1 4.18Å; W385-V440 HydrophobicContact CB-CG2 3.86Å; W385-V446 HydrophobicContact CB-CG1 4.08Å; W385-V446 HydrophobicContact CB-CG2 3.66Å; W385-V446 HydrophobicContact CD2-CG1 3.81Å; W385-V446 HydrophobicContact CD2-CG2 3.95Å; W385-V446 HydrophobicContact CE3-CG1 3.61Å; W385-V446 HydrophobicContact CG-CB 4.44Å; W385-V446 HydrophobicContact CG-CG1 4Å; W385-V446 HydrophobicContact CG-CG2 3.46Å; W385-V446 VanDerWaalsContact CG-CG2 3.46Å; W385-V446 HydrophobicContact CZ3-CG1 4.36Å; W385-I449 VanDerWaalsContact O-CD1 3.3Å; W385-I449 WeakPolarHBondContact O-CD1 3.45Å; W385-F450 HydrophobicContact CZ3-CZ 4.34Å
386	T	92.4	Very high	96.5	Very high	19 Å²	19	7.5 Å²	7.5	12%	0.117	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-51.7	-29.1	167.5	-59	0	0	0	0	113.9	W384 V438 V440	W384-T386 PolarHBondContact O-N 3.38Å; T386-V438 WeakPolarHBondContact CA-O 3.28Å; T386-V438 WeakPolarHBondContact CB-O 3.33Å; T386-V438 WeakPolarHBondContact CG2-O 3.41Å; T386-V438 PolarHBondContact OG1-O 3.48Å; T386-V440 PolarHBondContact OG1-N 2.96Å
387	H	94.7	Very high	96.5	Very high	24 Å²	24	7.6 Å²	7.6	11%	0.111	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-110.8	21	179	-47.1	-77.2	0	0	0	113	M382 W384 W385 W389 L390 E437 T492	M382-H387 HydrophobicContact CB-CB 3.95Å; W384-H387 PolarHBondContact O-N 2.9Å; W385-H387 PolarHBondContact O-N 3.33Å; W385-H387 VanDerWaalsContact O-N 3.11Å; H387-W389 PolarHBondContact O-N 3.47Å; H387-L390 HydrophobicContact CB-CD1 3.73Å; H387-L390 HydrophobicContact CB-CG 4.17Å; H387-L390 VanDerWaalsContact O-CB 3.28Å; H387-L390 WeakPolarHBondContact O-CB 3.29Å; H387-L390 WeakPolarHBondContact O-CG 3.42Å; H387-L390 PolarHBondContact O-N 2.96Å; H387-E437 IonicContact CE1-OE2 2.68Å; H387-E437 IonicContact ND1-OE2 3.87Å; H387-T492 PolarHBondContact ND1-N 3.33Å; H387-T492 PolarHBondContact ND1-OG1 2.97Å
388	L	93.9	Very high	96.6	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.01	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-34.6	179.3	172.7	63.1	0	0	0	113.4	M382 W385 L390 N391 E392 V446 I449 F450	M382-L388 HydrophobicContact CE-CD1 4.03Å; W385-L388 HydrophobicContact CE3-CD1 4.21Å; W385-L388 HydrophobicContact CZ3-CD1 4.3Å; W385-L388 VanDerWaalsContact O-CB 3.22Å; W385-L388 WeakPolarHBondContact O-CB 3.43Å; W385-L388 PolarHBondContact O-N 2.91Å; L388-L390 PolarHBondContact O-N 3.43Å; L388-L390 VanDerWaalsContact O-N 3.07Å; L388-N391 WeakPolarHBondContact O-CB 3.47Å; L388-N391 PolarHBondContact O-N 3.09Å; L388-E392 HydrophobicContact CD1-CG 4.08Å; L388-E392 HydrophobicContact CG-CG 4.32Å; L388-E392 PolarHBondContact O-N 3.33Å; L388-V446 HydrophobicContact CD2-CG1 4.39Å; L388-I449 HydrophobicContact CB-CD1 4.19Å; L388-I449 HydrophobicContact CD2-CD1 3.85Å; L388-I449 HydrophobicContact CD2-CG1 3.95Å; L388-F450 HydrophobicContact CD1-CE1 3.84Å; L388-F450 HydrophobicContact CD1-CZ 3.94Å; L388-F450 HydrophobicContact CD2-CD1 3.89Å; L388-F450 HydrophobicContact CD2-CD2 4.16Å; L388-F450 HydrophobicContact CD2-CE1 3.77Å; L388-F450 HydrophobicContact CD2-CE2 4.07Å; L388-F450 HydrophobicContact CD2-CG 4.09Å; L388-F450 HydrophobicContact CD2-CZ 3.86Å; L388-F450 HydrophobicContact CG-CE1 4.36Å
389	W	96.1	Very high	96.6	Very high	1 Å²	1	8.4 Å²	8.4	0%	0.004	4%	0.04	C	C	.	.	H	α-helix	trans	-57.5	-20.9	176.9	84.1	-85.5	0	0	0	114.1	H387 N391 G393 F394 I436 I462 T492 L495 W496 T515	H387-W389 PolarHBondContact O-N 3.47Å; W389-N391 VanDerWaalsContact C-N 3.27Å; W389-N391 PolarHBondContact O-N 2.87Å; W389-G393 WeakPolarHBondContact O-CA 3.43Å; W389-G393 PolarHBondContact O-N 2.97Å; W389-F394 HydrophobicContact CH2-CE2 4.26Å; W389-F394 HydrophobicContact CZ3-CE2 4.05Å; W389-I436 HydrophobicContact CB-CG2 3.46Å; W389-I436 VanDerWaalsContact CB-CG2 3.46Å; W389-I436 HydrophobicContact CD2-CG2 3.7Å; W389-I436 HydrophobicContact CE3-CG2 4.24Å; W389-I436 HydrophobicContact CG-CG2 3.3Å; W389-I462 HydrophobicContact CE3-CD1 4.28Å; W389-I462 HydrophobicContact CZ3-CD1 3.84Å; W389-I462 HydrophobicContact CZ3-CG1 3.89Å; W389-T492 HydrophobicContact CZ2-CG2 3.92Å; W389-T492 PolarHBondContact NE1-OG1 3.31Å; W389-L495 HydrophobicContact CH2-CD2 3.89Å; W389-L495 HydrophobicContact CZ2-CD2 4.36Å; W389-W496 AromaticContact CH2-CH2 3.4Å; W389-W496 HydrophobicContact CH2-CH2 3.4Å; W389-W496 AromaticContact CH2-CZ2 3.81Å; W389-W496 HydrophobicContact CH2-CZ2 3.81Å; W389-W496 HydrophobicContact CH2-CZ3 4.21Å; W389-W496 AromaticContact CZ2-CH2 3.94Å; W389-W496 HydrophobicContact CZ2-CH2 3.94Å; W389-W496 AromaticContact CZ2-CZ2 3.87Å; W389-W496 HydrophobicContact CZ2-CZ2 3.87Å; W389-W496 HydrophobicContact CZ3-CH2 4.42Å; W389-T515 HydrophobicContact CH2-CG2 4.49Å; W389-T515 HydrophobicContact CZ2-CG2 4.13Å
390	L	96.8	Very high	96.6	Very high	3 Å²	3	8.4 Å²	8.4	2%	0.016	4%	0.04	C	C	.	.	H	α-helix	trans	-66.9	-27.4	173.6	-66.8	177.3	0	0	0	112.8	H387 L388 F394 L495	H387-L390 HydrophobicContact CB-CD1 3.73Å; H387-L390 HydrophobicContact CB-CG 4.17Å; H387-L390 VanDerWaalsContact O-CB 3.28Å; H387-L390 WeakPolarHBondContact O-CB 3.29Å; H387-L390 WeakPolarHBondContact O-CG 3.42Å; H387-L390 PolarHBondContact O-N 2.96Å; L388-L390 PolarHBondContact O-N 3.43Å; L388-L390 VanDerWaalsContact O-N 3.07Å; L390-F394 WeakPolarHBondContact O-CD2 3.48Å; L390-L495 HydrophobicContact CD2-CB 4.39Å; L390-L495 HydrophobicContact CD2-CD2 3.66Å
391	N	95.6	Very high	96.5	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-80.8	-66.7	166.9	-62.2	12.7	0	0	0	108.2	Y261 F376 G377 M382 L388 W389 F394 A395	Y261-N391 PolarHBondContact OH-ND2 3.21Å; F376-N391 WeakPolarHBondContact O-CA 3.47Å; F376-N391 WeakPolarHBondContact O-CB 3.19Å; G377-N391 VanDerWaalsContact CA-CG 3.43Å; G377-N391 VanDerWaalsContact CA-ND2 3.34Å; G377-N391 WeakPolarHBondContact CA-ND2 3.44Å; G377-N391 WeakPolarHBondContact CA-OD1 3.5Å; M382-N391 PolarHBondContact SD-ND2 3.17Å; M382-N391 PolarHBondContact SD-OD1 2.96Å; M382-N391 VanDerWaalsContact SD-OD1 3.4Å; L388-N391 WeakPolarHBondContact O-CB 3.47Å; L388-N391 PolarHBondContact O-N 3.09Å; W389-N391 VanDerWaalsContact C-N 3.27Å; W389-N391 PolarHBondContact O-N 2.87Å; N391-F394 PolarHBondContact O-N 2.92Å; N391-A395 PolarHBondContact O-N 3.01Å
392	E	96.6	Very high	96.5	Very high	6 Å²	6	10 Å²	10	3%	0.028	5%	0.048	C	C	.	.	H	α-helix	trans	-74.3	-38.1	-159.2	-71.8	-74.7	-149.9	0	0	113.9	H369 H373 L388 F394 S396 F450 Y455	H369-E392 IonicContact CE1-OE2 2.76Å; H369-E392 PolarHBondContact CE1-OE2 3.39Å; H369-E392 VanDerWaalsContact CE1-OE2 3.26Å; H369-E392 IonicContact NE2-OE2 2.68Å; H369-E392 PolarHBondContact NE2-OE2 2.92Å; H373-E392 IonicContact CE1-OE2 2.86Å; H373-E392 PolarHBondContact CE1-OE2 2.69Å; H373-E392 IonicContact NE2-OE2 3.97Å; H373-E392 PolarHBondContact NE2-OE2 2.87Å; L388-E392 HydrophobicContact CD1-CG 4.08Å; L388-E392 HydrophobicContact CG-CG 4.32Å; L388-E392 PolarHBondContact O-N 3.33Å; E392-F394 VanDerWaalsContact C-N 3.3Å; E392-F394 PolarHBondContact O-N 3.06Å; E392-S396 WeakPolarHBondContact O-CB 3.07Å; E392-S396 PolarHBondContact O-N 3.5Å; E392-S396 PolarHBondContact O-OG 3.46Å; E392-F450 HydrophobicContact CG-CE1 4.48Å; E392-Y455 HydrophobicContact CB-CD1 4.21Å; E392-Y455 HydrophobicContact CB-CD2 4.42Å; E392-Y455 HydrophobicContact CB-CE1 4.28Å; E392-Y455 HydrophobicContact CB-CG 4.29Å; E392-Y455 HydrophobicContact CG-CE1 4.15Å; E392-Y455 HydrophobicContact CG-CE2 4.32Å; E392-Y455 VanDerWaalsContact OE1-CE1 3.31Å; E392-Y455 WeakPolarHBondContact OE1-CE1 3.42Å; E392-Y455 PolarHBondContact OE1-OH 2.94Å; E392-Y455 WeakPolarHBondContact OE2-CE1 3.38Å
393	G	97.3	Very high	96.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-67.3	-33.2	175.3	0	0	0	0	0	112.1	W389 W397 S454 A459 I462	W389-G393 WeakPolarHBondContact O-CA 3.43Å; W389-G393 PolarHBondContact O-N 2.97Å; G393-W397 VanDerWaalsContact O-CB 3.26Å; G393-W397 WeakPolarHBondContact O-CB 3.44Å; G393-W397 PolarHBondContact O-N 2.85Å; G393-W397 VanDerWaalsContact O-N 3.08Å; G393-S454 PolarHBondContact N-O 2.91Å; G393-A459 WeakPolarHBondContact O-CA 3.16Å; G393-I462 VanDerWaalsContact O-CD1 3.27Å; G393-I462 WeakPolarHBondContact O-CD1 3.37Å
394	F	97.3	Very high	96.6	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.009	5%	0.047	C	C	.	.	H	α-helix	trans	-74.9	-44.5	177.9	-90.3	-86.7	0	0	0	112.5	F376 W389 L390 N391 E392 W397 I398 I462 F474 M478 L495	F376-F394 HydrophobicContact CB-CB 4.07Å; F376-F394 HydrophobicContact CD1-CB 3.91Å; F376-F394 HydrophobicContact CD1-CD1 4.25Å; F376-F394 HydrophobicContact CD1-CG 4.01Å; F376-F394 HydrophobicContact CD2-CB 4.06Å; F376-F394 HydrophobicContact CE1-CB 4.46Å; F376-F394 AromaticContact CE1-CD1 3.99Å; F376-F394 HydrophobicContact CE1-CD1 3.99Å; F376-F394 HydrophobicContact CE1-CG 4.23Å; F376-F394 HydrophobicContact CG-CB 3.71Å; F376-F394 HydrophobicContact CG-CG 4.32Å; F376-F394 HydrophobicContact CZ-CD1 4.18Å; W389-F394 HydrophobicContact CH2-CE2 4.26Å; W389-F394 HydrophobicContact CZ3-CE2 4.05Å; L390-F394 WeakPolarHBondContact O-CD2 3.48Å; N391-F394 PolarHBondContact O-N 2.92Å; E392-F394 VanDerWaalsContact C-N 3.3Å; E392-F394 PolarHBondContact O-N 3.06Å; F394-W397 PolarHBondContact O-N 2.98Å; F394-I398 WeakPolarHBondContact O-CG2 3.31Å; F394-I398 PolarHBondContact O-N 2.68Å; F394-I462 HydrophobicContact CB-CD1 4.45Å; F394-I462 HydrophobicContact CD1-CD1 4.26Å; F394-I462 HydrophobicContact CD1-CG2 4.48Å; F394-I462 HydrophobicContact CD2-CD1 3.5Å; F394-I462 VanDerWaalsContact CD2-CD1 3.5Å; F394-I462 HydrophobicContact CD2-CG1 4.41Å; F394-I462 HydrophobicContact CE1-CD1 4.36Å; F394-I462 HydrophobicContact CE1-CG2 4.09Å; F394-I462 HydrophobicContact CE2-CD1 3.61Å; F394-I462 HydrophobicContact CE2-CG1 4.03Å; F394-I462 HydrophobicContact CG-CD1 3.85Å; F394-I462 HydrophobicContact CZ-CD1 4.05Å; F394-I462 HydrophobicContact CZ-CG1 4.12Å; F394-I462 HydrophobicContact CZ-CG2 4.34Å; F394-F474 HydrophobicContact CE1-CZ 4.05Å; F394-M478 HydrophobicContact CD1-CE 3.94Å; F394-M478 HydrophobicContact CE1-CE 3.34Å; F394-M478 HydrophobicContact CE1-SD 3.75Å; F394-M478 HydrophobicContact CZ-CE 3.81Å; F394-M478 HydrophobicContact CZ-SD 4.06Å; F394-L495 HydrophobicContact CE2-CD2 3.52Å; F394-L495 HydrophobicContact CZ-CD1 4.12Å; F394-L495 HydrophobicContact CZ-CD2 3.66Å
395	A	97.9	Very high	96.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.8	-50.5	173.1	0	0	0	0	0	111	H369 A372 H373 N391 W397 I398 E399	H369-A395 WeakPolarHBondContact CE1-CB 3.15Å; H369-A395 VanDerWaalsContact ND1-C 3.31Å; H369-A395 WeakPolarHBondContact ND1-CB 3.43Å; A372-A395 HydrophobicContact CB-CB 4.07Å; H373-A395 WeakPolarHBondContact NE2-CB 3.45Å; N391-A395 PolarHBondContact O-N 3.01Å; A395-W397 PolarHBondContact O-N 3.06Å; A395-W397 VanDerWaalsContact O-N 3.13Å; A395-I398 PolarHBondContact O-N 3.31Å; A395-E399 PolarHBondContact O-N 3.19Å
396	S	98.1	Very high	96.7	Very high	4 Å²	4	15.4 Å²	15.4	3%	0.028	8%	0.078	C	C	.	.	H	α-helix	trans	-60.9	-22	177.1	-59.2	0	0	0	0	114	H369 E392 Y400 Y455	H369-S396 PolarHBondContact CE1-N 2.8Å; H369-S396 PolarHBondContact CE1-OG 3.36Å; H369-S396 PolarHBondContact ND1-N 3.37Å; E392-S396 WeakPolarHBondContact O-CB 3.07Å; E392-S396 PolarHBondContact O-N 3.5Å; E392-S396 PolarHBondContact O-OG 3.46Å; S396-Y400 VanDerWaalsContact O-CD2 3.29Å; S396-Y400 WeakPolarHBondContact O-CD2 3.31Å; S396-Y455 WeakPolarHBondContact OG-CD1 3.47Å
397	W	98.2	Very high	96.9	Very high	3 Å²	3	15 Å²	15	1%	0.011	8%	0.075	C	C	.	.	H	α-helix	trans	-86.6	-46.5	175	170.6	65.9	0	0	0	112.2	Y312 G393 F394 A395 L401 W413 A459 I462 H466 F474	Y312-W397 HydrophobicContact CE1-CH2 4.37Å; Y312-W397 WeakPolarHBondContact OH-CH2 3.23Å; G393-W397 VanDerWaalsContact O-CB 3.26Å; G393-W397 WeakPolarHBondContact O-CB 3.44Å; G393-W397 PolarHBondContact O-N 2.85Å; G393-W397 VanDerWaalsContact O-N 3.08Å; F394-W397 PolarHBondContact O-N 2.98Å; A395-W397 PolarHBondContact O-N 3.06Å; A395-W397 VanDerWaalsContact O-N 3.13Å; W397-L401 HydrophobicContact CH2-CD2 4.4Å; W397-W413 AromaticContact NE1-CH2 3.78Å; W397-A459 HydrophobicContact CB-CB 3.94Å; W397-I462 HydrophobicContact CB-CB 4.32Å; W397-I462 HydrophobicContact CB-CG2 4.13Å; W397-I462 HydrophobicContact CD2-CB 4.45Å; W397-I462 HydrophobicContact CD2-CG2 3.47Å; W397-I462 VanDerWaalsContact CD2-CG2 3.47Å; W397-I462 HydrophobicContact CE3-CG2 3.62Å; W397-I462 HydrophobicContact CG-CB 4.17Å; W397-I462 HydrophobicContact CG-CG2 3.68Å; W397-I462 HydrophobicContact CZ3-CG2 4.27Å; W397-H466 HydrophobicContact CH2-CB 4.41Å; W397-H466 AromaticContact CH2-CD2 3.65Å; W397-H466 HydrophobicContact CZ2-CB 3.8Å; W397-H466 AromaticContact CZ2-CD2 3.57Å; W397-H466 AromaticContact CZ2-CG 3.63Å; W397-F474 HydrophobicContact CH2-CD1 4.21Å; W397-F474 AromaticContact CH2-CE1 3.48Å; W397-F474 HydrophobicContact CH2-CE1 3.48Å; W397-F474 VanDerWaalsContact CH2-CE1 3.48Å; W397-F474 AromaticContact CH2-CZ 3.88Å; W397-F474 HydrophobicContact CH2-CZ 3.88Å; W397-F474 HydrophobicContact CZ2-CE1 4.49Å; W397-F474 AromaticContact CZ3-CE1 3.6Å; W397-F474 HydrophobicContact CZ3-CE1 3.6Å; W397-F474 AromaticContact CZ3-CZ 3.88Å; W397-F474 HydrophobicContact CZ3-CZ 3.88Å
398	I	98.1	Very high	96.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-86.4	-14	-171.6	-150.8	177.4	0	0	0	113.7	F308 Y309 Y312 F313 A372 F394 A395 Y400 L401 C402	F308-I398 HydrophobicContact CE1-CD1 4.37Å; F308-I398 HydrophobicContact CE1-CG1 4.4Å; Y309-I398 HydrophobicContact CD1-CD1 3.99Å; Y309-I398 HydrophobicContact CD1-CG1 4.49Å; Y309-I398 HydrophobicContact CD1-CG2 4.44Å; Y309-I398 HydrophobicContact CE1-CB 4.31Å; Y309-I398 HydrophobicContact CE1-CD1 3.91Å; Y309-I398 HydrophobicContact CE1-CG1 3.91Å; Y309-I398 HydrophobicContact CE1-CG2 3.65Å; Y312-I398 HydrophobicContact CD1-CD1 3.5Å; Y312-I398 VanDerWaalsContact CD1-CD1 3.5Å; Y312-I398 HydrophobicContact CE1-CD1 3.64Å; Y312-I398 HydrophobicContact CG-CD1 4.25Å; F313-I398 HydrophobicContact CE1-CD1 4.2Å; F313-I398 HydrophobicContact CE2-CD1 3.6Å; F313-I398 HydrophobicContact CZ-CD1 3.25Å; A372-I398 HydrophobicContact CB-CG2 3.53Å; F394-I398 WeakPolarHBondContact O-CG2 3.31Å; F394-I398 PolarHBondContact O-N 2.68Å; A395-I398 PolarHBondContact O-N 3.31Å; I398-Y400 PolarHBondContact O-N 2.98Å; I398-L401 HydrophobicContact CD1-CD2 4.3Å; I398-L401 HydrophobicContact CG1-CB 3.83Å; I398-L401 HydrophobicContact CG1-CD2 4Å; I398-L401 PolarHBondContact O-N 2.81Å; I398-C402 WeakPolarHBondContact O-CB 3.42Å; I398-C402 PolarHBondContact O-N 3.01Å
399	E	97.9	Very high	96.9	Very high	17 Å²	17	23.1 Å²	23.1	8%	0.079	12%	0.12	C	C	.	.	H	α-helix	trans	-54.8	-41.8	166	62.6	158.9	-169.7	0	0	111	L365 H369 A395 C402 V403	L365-E399 WeakPolarHBondContact CB-OE2 3.29Å; L365-E399 HydrophobicContact CD2-CB 4.34Å; L365-E399 HydrophobicContact CD2-CG 4Å; H369-E399 HydrophobicContact CB-CB 4.23Å; A395-E399 PolarHBondContact O-N 3.19Å; E399-C402 PolarHBondContact O-N 3.16Å; E399-V403 WeakPolarHBondContact O-CB 3.17Å; E399-V403 VanDerWaalsContact O-CG2 3.3Å; E399-V403 WeakPolarHBondContact O-CG2 3.23Å; E399-V403 PolarHBondContact O-N 2.81Å
400	Y	98.3	Very high	96.9	Very high	5 Å²	5	23.8 Å²	23.8	2%	0.02	12%	0.122	C	C	.	.	H	α-helix	trans	-65.6	-42.3	177.2	-74	-94.5	0	0	0	111.8	L365 S396 I398 C402 V403 D404 I412 W413 F416 A419 D420	L365-Y400 HydrophobicContact CD2-CD1 4.33Å; L365-Y400 HydrophobicContact CD2-CD2 4.37Å; L365-Y400 HydrophobicContact CD2-CE1 4.31Å; L365-Y400 HydrophobicContact CD2-CE2 4.37Å; L365-Y400 HydrophobicContact CD2-CG 4.36Å; S396-Y400 VanDerWaalsContact O-CD2 3.29Å; S396-Y400 WeakPolarHBondContact O-CD2 3.31Å; I398-Y400 PolarHBondContact O-N 2.98Å; Y400-C402 VanDerWaalsContact C-N 3.35Å; Y400-C402 PolarHBondContact O-N 3.34Å; Y400-V403 PolarHBondContact O-N 2.91Å; Y400-D404 WeakPolarHBondContact O-CB 3.4Å; Y400-D404 PolarHBondContact O-N 2.78Å; Y400-I412 HydrophobicContact CD1-CB 4.31Å; Y400-I412 HydrophobicContact CD1-CG1 3.67Å; Y400-I412 HydrophobicContact CD1-CG2 4.13Å; Y400-I412 WeakPolarHBondContact CD1-O 3.35Å; Y400-I412 HydrophobicContact CE1-CG1 3.97Å; Y400-I412 WeakPolarHBondContact O-CG2 3.36Å; Y400-W413 HydrophobicContact CG-CZ3 4.43Å; Y400-F416 HydrophobicContact CD1-CB 3.79Å; Y400-F416 AromaticContact CD1-CD2 3.96Å; Y400-F416 HydrophobicContact CD1-CD2 3.96Å; Y400-F416 HydrophobicContact CD1-CG 4.39Å; Y400-F416 AromaticContact CD2-CD2 3.63Å; Y400-F416 HydrophobicContact CD2-CD2 3.63Å; Y400-F416 HydrophobicContact CD2-CE2 4.19Å; Y400-F416 HydrophobicContact CE1-CB 3.64Å; Y400-F416 AromaticContact CE1-CD2 3.96Å; Y400-F416 HydrophobicContact CE1-CD2 3.96Å; Y400-F416 HydrophobicContact CE1-CG 4.32Å; Y400-F416 AromaticContact CE2-CD2 3.61Å; Y400-F416 HydrophobicContact CE2-CD2 3.61Å; Y400-F416 HydrophobicContact CE2-CE2 4.19Å; Y400-F416 HydrophobicContact CG-CB 4.44Å; Y400-F416 AromaticContact CG-CD2 3.81Å; Y400-F416 HydrophobicContact CG-CD2 3.81Å; Y400-F416 AromaticContact CZ-CD2 3.77Å; Y400-A419 WeakPolarHBondContact OH-CB 3.21Å; Y400-D420 PolarHBondContact OH-OD2 3.38Å
401	L	97.6	Very high	96.8	Very high	33 Å²	33	25.6 Å²	25.6	17%	0.173	13%	0.132	C	C	.	.	H	α-helix	trans	-66.6	-37.5	178	-163.1	70.9	0	0	0	111.8	F308 Y312 W397 I398 H405 W413	F308-L401 HydrophobicContact CZ-CB 4.4Å; F308-L401 HydrophobicContact CZ-CD2 4.1Å; F308-L401 HydrophobicContact CZ-CG 3.97Å; Y312-L401 HydrophobicContact CD2-CD2 4.09Å; Y312-L401 HydrophobicContact CE1-CD2 4.2Å; Y312-L401 HydrophobicContact CE2-CD2 3.48Å; Y312-L401 VanDerWaalsContact CE2-CD2 3.48Å; W397-L401 HydrophobicContact CH2-CD2 4.4Å; I398-L401 HydrophobicContact CD1-CD2 4.3Å; I398-L401 HydrophobicContact CG1-CB 3.83Å; I398-L401 HydrophobicContact CG1-CD2 4Å; I398-L401 PolarHBondContact O-N 2.81Å; L401-H405 WeakPolarHBondContact O-CB 3.36Å; L401-H405 PolarHBondContact O-N 3.27Å; L401-W413 HydrophobicContact CB-CZ2 3.89Å; L401-W413 HydrophobicContact CD1-CZ2 3.77Å; L401-W413 HydrophobicContact CG-CZ2 4.45Å
402	C	97.7	Very high	96.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	13%	0.132	C	C	.	.	H	α-helix	trans	-69.1	-44.5	175.4	-175.5	0	0	0	0	111.9	T305 F308 Y309 I398 E399 Y400 H405 C406	T305-C402 PolarHBondContact OG1-SG 3Å; F308-C402 HydrophobicContact CD1-CB 3.68Å; F308-C402 HydrophobicContact CE1-CB 3.69Å; Y309-C402 HydrophobicContact CE1-CB 3.83Å; Y309-C402 WeakPolarHBondContact OH-CB 3.44Å; I398-C402 WeakPolarHBondContact O-CB 3.42Å; I398-C402 PolarHBondContact O-N 3.01Å; E399-C402 PolarHBondContact O-N 3.16Å; Y400-C402 VanDerWaalsContact C-N 3.35Å; Y400-C402 PolarHBondContact O-N 3.34Å; C402-H405 PolarHBondContact O-N 3Å; C402-C406 WeakPolarHBondContact O-CB 3.26Å; C402-C406 PolarHBondContact O-N 3.38Å; C402-C406 PolarHBondContact O-SG 2.95Å
403	V	97.9	Very high	96.7	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-68.6	-39.4	179.6	170.5	0	0	0	0	111.2	A364 L365 E399 Y400 H405 C406 F407 Y410 I412	A364-V403 HydrophobicContact CB-CG2 4.2Å; A364-V403 WeakPolarHBondContact O-CG2 3.36Å; L365-V403 HydrophobicContact CD2-CB 4.38Å; L365-V403 HydrophobicContact CD2-CG2 4.04Å; L365-V403 HydrophobicContact CG-CG2 4.32Å; E399-V403 WeakPolarHBondContact O-CB 3.17Å; E399-V403 VanDerWaalsContact O-CG2 3.3Å; E399-V403 WeakPolarHBondContact O-CG2 3.23Å; E399-V403 PolarHBondContact O-N 2.81Å; Y400-V403 PolarHBondContact O-N 2.91Å; V403-H405 VanDerWaalsContact C-N 3.3Å; V403-H405 PolarHBondContact O-N 2.81Å; V403-C406 PolarHBondContact O-N 3.43Å; V403-F407 CarbonylContact O-C 3.52Å; V403-F407 WeakPolarHBondContact O-CA 3.37Å; V403-F407 PolarHBondContact O-N 3.11Å; V403-Y410 HydrophobicContact CG1-CD2 3.88Å; V403-I412 HydrophobicContact CB-CG1 4.48Å; V403-I412 HydrophobicContact CB-CG2 4.48Å; V403-I412 HydrophobicContact CG1-CB 4.24Å; V403-I412 HydrophobicContact CG1-CD1 4.16Å; V403-I412 HydrophobicContact CG1-CG1 3.92Å; V403-I412 HydrophobicContact CG1-CG2 4.33Å
404	D	97.6	Very high	96.7	Very high	54 Å²	54	28.1 Å²	28.1	29%	0.289	14%	0.143	S	C	.	.	H	α-helix	trans	-61.2	-39	173.8	-163.8	63.7	0	0	0	111.7	Y400 P408 I412 W413	Y400-D404 WeakPolarHBondContact O-CB 3.4Å; Y400-D404 PolarHBondContact O-N 2.78Å; D404-P408 WeakPolarHBondContact O-CA 3.47Å; D404-P408 WeakPolarHBondContact O-CB 3.32Å; D404-P408 WeakPolarHBondContact O-CD 3.12Å; D404-I412 HydrophobicContact CB-CG2 3.73Å; D404-W413 PolarHBondContact OD2-NE1 3.49Å
405	H	96.6	Very high	96.6	Very high	128 Å²	128	28.8 Å²	28.8	59%	0.593	15%	0.146	S	C	*	.	H	α-helix	trans	-68.3	-39.3	173.7	-177.6	81	0	0	0	113.1	F308 L401 C402 V403	F308-H405 HydrophobicContact CD2-CB 3.97Å; F308-H405 AromaticContact CD2-CD2 3.53Å; F308-H405 AromaticContact CD2-CG 3.62Å; F308-H405 HydrophobicContact CE2-CB 3.74Å; F308-H405 AromaticContact CE2-CG 3.73Å; F308-H405 HydrophobicContact CZ-CB 4.47Å; L401-H405 WeakPolarHBondContact O-CB 3.36Å; L401-H405 PolarHBondContact O-N 3.27Å; C402-H405 PolarHBondContact O-N 3Å; V403-H405 VanDerWaalsContact C-N 3.3Å; V403-H405 PolarHBondContact O-N 2.81Å
406	C	94.9	Very high	96.6	Very high	18 Å²	18	28.8 Å²	28.8	12%	0.122	15%	0.146	C	C	.	.	H	α-helix	trans	-86.1	-27.1	-173.6	-66.9	0	0	0	0	114.5	K304 C402 V403	K304-C406 HydrophobicContact CD-CB 4.03Å; C402-C406 WeakPolarHBondContact O-CB 3.26Å; C402-C406 PolarHBondContact O-N 3.38Å; C402-C406 PolarHBondContact O-SG 2.95Å; V403-C406 PolarHBondContact O-N 3.43Å
407	F	96	Very high	96.5	Very high	12 Å²	12	28.7 Å²	28.7	5%	0.053	15%	0.145	C	C	.	.			trans	-149.9	60.9	-172.5	-52.8	-79.5	0	0	0	111	F297 V301 K304 A364 V403 E409 Y410	F297-F407 HydrophobicContact CE2-CE1 4.11Å; F297-F407 HydrophobicContact CE2-CZ 4.02Å; F297-F407 HydrophobicContact CZ-CE1 4.4Å; F297-F407 HydrophobicContact CZ-CZ 4.09Å; V301-F407 HydrophobicContact CG2-CE2 3.92Å; V301-F407 HydrophobicContact CG2-CZ 3.93Å; K304-F407 HydrophobicContact CD-CZ 4.41Å; K304-F407 VanDerWaalsContact NZ-CE1 3.34Å; A364-F407 HydrophobicContact CB-CD2 4.31Å; A364-F407 HydrophobicContact CB-CE2 4.19Å; V403-F407 CarbonylContact O-C 3.52Å; V403-F407 WeakPolarHBondContact O-CA 3.37Å; V403-F407 PolarHBondContact O-N 3.11Å; F407-E409 WeakPolarHBondContact CA-OE2 3.29Å; F407-E409 PolarHBondContact O-N 3.21Å; F407-Y410 HydrophobicContact CB-CD1 4.27Å; F407-Y410 HydrophobicContact CB-CD2 3.63Å; F407-Y410 HydrophobicContact CB-CE1 4.27Å; F407-Y410 HydrophobicContact CB-CE2 3.65Å; F407-Y410 HydrophobicContact CB-CG 3.97Å; F407-Y410 HydrophobicContact CD1-CE2 4.43Å; F407-Y410 HydrophobicContact CD2-CE2 4.22Å; F407-Y410 HydrophobicContact CG-CD2 4.31Å; F407-Y410 AromaticContact CG-CE2 3.86Å; F407-Y410 HydrophobicContact CG-CE2 3.86Å; F407-Y410 WeakPolarHBondContact O-CB 3.39Å; F407-Y410 PolarHBondContact O-N 2.8Å
408	P	95.1	Very high	96.2	Very high	85 Å²	85	29.9 Å²	29.9	55%	0.552	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-59.4	-18.8	-176.7	24.6	-34.9	0	0	0	113.9	D404 Y410 D411	D404-P408 WeakPolarHBondContact O-CA 3.47Å; D404-P408 WeakPolarHBondContact O-CB 3.32Å; D404-P408 WeakPolarHBondContact O-CD 3.12Å; P408-Y410 PolarHBondContact O-N 2.84Å; P408-Y410 VanDerWaalsContact O-N 3.15Å; P408-D411 PolarHBondContact O-N 3.48Å
409	E	93.6	Very high	96	Very high	111 Å²	111	32 Å²	32	52%	0.519	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-65.5	-6.3	172.2	70.1	-87.4	-155.7	0	0	114.6	F407	F407-E409 WeakPolarHBondContact CA-OE2 3.29Å; F407-E409 PolarHBondContact O-N 3.21Å
410	Y	95.3	Very high	95.9	Very high	14 Å²	14	31.5 Å²	31.5	6%	0.055	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-86.6	-10.8	177.6	-67.2	-4.2	0	0	0	114.5	Q361 A364 V403 F407 P408 I412 Q415 H717	Q361-Y410 HydrophobicContact CB-CD2 4.27Å; Q361-Y410 HydrophobicContact CB-CE2 4.22Å; Q361-Y410 HydrophobicContact CG-CD2 3.87Å; Q361-Y410 HydrophobicContact CG-CE2 4.29Å; Q361-Y410 HydrophobicContact CG-CG 4.42Å; A364-Y410 HydrophobicContact CB-CE2 4.29Å; V403-Y410 HydrophobicContact CG1-CD2 3.88Å; F407-Y410 HydrophobicContact CB-CD1 4.27Å; F407-Y410 HydrophobicContact CB-CD2 3.63Å; F407-Y410 HydrophobicContact CB-CE1 4.27Å; F407-Y410 HydrophobicContact CB-CE2 3.65Å; F407-Y410 HydrophobicContact CB-CG 3.97Å; F407-Y410 HydrophobicContact CD1-CE2 4.43Å; F407-Y410 HydrophobicContact CD2-CE2 4.22Å; F407-Y410 HydrophobicContact CG-CD2 4.31Å; F407-Y410 AromaticContact CG-CE2 3.86Å; F407-Y410 HydrophobicContact CG-CE2 3.86Å; F407-Y410 WeakPolarHBondContact O-CB 3.39Å; F407-Y410 PolarHBondContact O-N 2.8Å; P408-Y410 PolarHBondContact O-N 2.84Å; P408-Y410 VanDerWaalsContact O-N 3.15Å; Y410-I412 PolarHBondContact O-N 3.46Å; Y410-Q415 PolarHBondContact O-NE2 3.28Å; Y410-H717 HydrophobicContact CD1-CB 4.15Å; Y410-H717 AromaticContact CD1-CD2 3.39Å; Y410-H717 WeakPolarHBondContact CD1-CD2 3.44Å; Y410-H717 AromaticContact CD1-CE1 3.63Å; Y410-H717 AromaticContact CD1-CG 3.54Å; Y410-H717 AromaticContact CD1-ND1 3.73Å; Y410-H717 AromaticContact CD1-NE2 3.44Å; Y410-H717 WeakPolarHBondContact CD1-NE2 3.15Å; Y410-H717 HydrophobicContact CE1-CB 4.37Å; Y410-H717 AromaticContact CE1-CE1 3.54Å; Y410-H717 AromaticContact CE1-CG 3.77Å; Y410-H717 AromaticContact CE1-ND1 3.5Å; Y410-H717 AromaticContact CE1-NE2 3.87Å; Y410-H717 AromaticContact CG-CD2 4Å; Y410-H717 AromaticContact CG-NE2 3.79Å
411	D	94.8	Very high	95.9	Very high	42 Å²	42	31.5 Å²	31.5	23%	0.225	17%	0.169	C	C	.	.			trans	49.8	42.4	-177.9	-176.7	26.4	0	0	0	112.3	P408 W413 T414 Q415 N665 L718	P408-D411 PolarHBondContact O-N 3.48Å; D411-W413 VanDerWaalsContact C-N 3.29Å; D411-W413 PolarHBondContact O-N 3.37Å; D411-T414 VanDerWaalsContact CG-OG1 3.3Å; D411-T414 PolarHBondContact O-N 3.48Å; D411-T414 VanDerWaalsContact O-N 3.12Å; D411-T414 WeakPolarHBondContact OD1-CB 3.34Å; D411-T414 PolarHBondContact OD1-OG1 2.8Å; D411-T414 WeakPolarHBondContact OD2-CB 3.33Å; D411-T414 PolarHBondContact OD2-OG1 3.49Å; D411-Q415 PolarHBondContact O-N 3.32Å; D411-N665 PolarHBondContact OD2-ND2 3.17Å; D411-L718 HydrophobicContact CB-CD1 3.75Å; D411-L718 HydrophobicContact CB-CD2 4.29Å
412	I	96.1	Very high	95.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.1	-28.9	-162.8	-151.3	72.3	0	0	0	111.9	Q361 L365 Y400 V403 D404 Y410 Q415 F416	Q361-I412 HydrophobicContact CG-CD1 3.62Å; L365-I412 HydrophobicContact CD1-CD1 4.16Å; L365-I412 HydrophobicContact CD2-CD1 4.39Å; L365-I412 HydrophobicContact CD2-CG1 4.07Å; L365-I412 HydrophobicContact CG-CD1 4.38Å; Y400-I412 HydrophobicContact CD1-CB 4.31Å; Y400-I412 HydrophobicContact CD1-CG1 3.67Å; Y400-I412 HydrophobicContact CD1-CG2 4.13Å; Y400-I412 WeakPolarHBondContact CD1-O 3.35Å; Y400-I412 HydrophobicContact CE1-CG1 3.97Å; Y400-I412 WeakPolarHBondContact O-CG2 3.36Å; V403-I412 HydrophobicContact CB-CG1 4.48Å; V403-I412 HydrophobicContact CB-CG2 4.48Å; V403-I412 HydrophobicContact CG1-CB 4.24Å; V403-I412 HydrophobicContact CG1-CD1 4.16Å; V403-I412 HydrophobicContact CG1-CG1 3.92Å; V403-I412 HydrophobicContact CG1-CG2 4.33Å; D404-I412 HydrophobicContact CB-CG2 3.73Å; Y410-I412 PolarHBondContact O-N 3.46Å; I412-Q415 CarbonylContact O-C 3.12Å; I412-Q415 WeakPolarHBondContact O-CA 3.29Å; I412-Q415 WeakPolarHBondContact O-CB 3.21Å; I412-Q415 PolarHBondContact O-N 3.34Å; I412-Q415 VanDerWaalsContact O-N 3.12Å; I412-F416 PolarHBondContact O-N 3.01Å
413	W	95.6	Very high	95.7	Very high	49 Å²	49	35.7 Å²	35.7	19%	0.186	18%	0.184	C	C	.	.	H	α-helix	trans	-69.6	-27.2	174	-76	116.5	0	0	0	114.8	W397 Y400 L401 D404 D411 F416 R463	W397-W413 AromaticContact NE1-CH2 3.78Å; Y400-W413 HydrophobicContact CG-CZ3 4.43Å; L401-W413 HydrophobicContact CB-CZ2 3.89Å; L401-W413 HydrophobicContact CD1-CZ2 3.77Å; L401-W413 HydrophobicContact CG-CZ2 4.45Å; D404-W413 PolarHBondContact OD2-NE1 3.49Å; D411-W413 VanDerWaalsContact C-N 3.29Å; D411-W413 PolarHBondContact O-N 3.37Å; W413-F416 HydrophobicContact CE3-CB 4.16Å; W413-F416 HydrophobicContact CE3-CD2 4.46Å; W413-F416 HydrophobicContact CE3-CG 4.23Å; W413-F416 HydrophobicContact CZ3-CD2 4.08Å; W413-F416 HydrophobicContact CZ3-CG 4.24Å; W413-R463 HydrophobicContact CZ3-CG 4.22Å
414	T	95.7	Very high	95.7	Very high	11 Å²	11	35.6 Å²	35.6	7%	0.067	18%	0.183	C	C	.	.	H	α-helix	trans	-71.9	-39.5	168	-56.8	0	0	0	0	109.3	D411 F416 V417 V630 L633 T667	D411-T414 VanDerWaalsContact CG-OG1 3.3Å; D411-T414 PolarHBondContact O-N 3.48Å; D411-T414 VanDerWaalsContact O-N 3.12Å; D411-T414 WeakPolarHBondContact OD1-CB 3.34Å; D411-T414 PolarHBondContact OD1-OG1 2.8Å; D411-T414 WeakPolarHBondContact OD2-CB 3.33Å; D411-T414 PolarHBondContact OD2-OG1 3.49Å; T414-F416 PolarHBondContact O-N 3.36Å; T414-V417 PolarHBondContact O-N 2.93Å; T414-V630 HydrophobicContact CG2-CB 4.2Å; T414-L633 HydrophobicContact CG2-CD1 4.1Å; T414-T667 HydrophobicContact CG2-CG2 4.13Å
415	Q	96.3	Very high	95.7	Very high	16 Å²	16	33 Å²	33	8%	0.075	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-36.9	177.8	-63.1	-166.3	65	0	0	113.8	Q361 Y410 D411 I412 V417 S418 A419 T667	Q361-Q415 VanDerWaalsContact CD-NE2 3.34Å; Q361-Q415 VanDerWaalsContact NE2-CD 3.31Å; Y410-Q415 PolarHBondContact O-NE2 3.28Å; D411-Q415 PolarHBondContact O-N 3.32Å; I412-Q415 CarbonylContact O-C 3.12Å; I412-Q415 WeakPolarHBondContact O-CA 3.29Å; I412-Q415 WeakPolarHBondContact O-CB 3.21Å; I412-Q415 PolarHBondContact O-N 3.34Å; I412-Q415 VanDerWaalsContact O-N 3.12Å; Q415-V417 PolarHBondContact O-N 2.87Å; Q415-V417 VanDerWaalsContact O-N 3.08Å; Q415-S418 PolarHBondContact O-N 2.92Å; Q415-A419 WeakPolarHBondContact O-CB 3.41Å; Q415-A419 PolarHBondContact O-N 3.39Å; Q415-T667 HydrophobicContact CB-CG2 4.35Å; Q415-T667 HydrophobicContact CG-CG2 3.99Å; Q415-T667 WeakPolarHBondContact CG-OG1 3.47Å
416	F	97.4	Very high	95.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-46.2	-39.5	171.8	-178.8	-87.7	0	0	0	112.6	Y400 I412 W413 T414 S418 D420 Y421 A459 R463	Y400-F416 HydrophobicContact CD1-CB 3.79Å; Y400-F416 AromaticContact CD1-CD2 3.96Å; Y400-F416 HydrophobicContact CD1-CD2 3.96Å; Y400-F416 HydrophobicContact CD1-CG 4.39Å; Y400-F416 AromaticContact CD2-CD2 3.63Å; Y400-F416 HydrophobicContact CD2-CD2 3.63Å; Y400-F416 HydrophobicContact CD2-CE2 4.19Å; Y400-F416 HydrophobicContact CE1-CB 3.64Å; Y400-F416 AromaticContact CE1-CD2 3.96Å; Y400-F416 HydrophobicContact CE1-CD2 3.96Å; Y400-F416 HydrophobicContact CE1-CG 4.32Å; Y400-F416 AromaticContact CE2-CD2 3.61Å; Y400-F416 HydrophobicContact CE2-CD2 3.61Å; Y400-F416 HydrophobicContact CE2-CE2 4.19Å; Y400-F416 HydrophobicContact CG-CB 4.44Å; Y400-F416 AromaticContact CG-CD2 3.81Å; Y400-F416 HydrophobicContact CG-CD2 3.81Å; Y400-F416 AromaticContact CZ-CD2 3.77Å; I412-F416 PolarHBondContact O-N 3.01Å; W413-F416 HydrophobicContact CE3-CB 4.16Å; W413-F416 HydrophobicContact CE3-CD2 4.46Å; W413-F416 HydrophobicContact CE3-CG 4.23Å; W413-F416 HydrophobicContact CZ3-CD2 4.08Å; W413-F416 HydrophobicContact CZ3-CG 4.24Å; T414-F416 PolarHBondContact O-N 3.36Å; F416-S418 VanDerWaalsContact C-N 3.31Å; F416-S418 PolarHBondContact O-N 3.13Å; F416-D420 HydrophobicContact CD2-CB 4.36Å; F416-D420 HydrophobicContact CE2-CB 4.11Å; F416-D420 HydrophobicContact CZ-CB 4.28Å; F416-D420 PolarHBondContact O-N 2.8Å; F416-Y421 PolarHBondContact O-N 2.78Å; F416-A459 HydrophobicContact CE2-CB 4.08Å; F416-A459 HydrophobicContact CZ-CB 4.18Å; F416-R463 VanDerWaalsContact CE1-CD 3.44Å
417	V	96.4	Very high	95.7	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.151	C	C	.	.	I	π-helix	trans	-67.9	-33.1	-175	-173.1	0	0	0	0	111.8	T414 Q415 Y421 T422 T602 V630 L633	T414-V417 PolarHBondContact O-N 2.93Å; Q415-V417 PolarHBondContact O-N 2.87Å; Q415-V417 VanDerWaalsContact O-N 3.08Å; V417-Y421 HydrophobicContact CG1-CD1 3.85Å; V417-Y421 HydrophobicContact CG1-CG 4.28Å; V417-Y421 WeakPolarHBondContact O-CB 3.34Å; V417-T422 WeakPolarHBondContact O-CB 3.49Å; V417-T422 PolarHBondContact O-N 3.14Å; V417-T422 PolarHBondContact O-OG1 2.85Å; V417-T602 HydrophobicContact CG1-CG2 3.72Å; V417-V630 HydrophobicContact CG2-CG2 3.61Å; V417-L633 HydrophobicContact CB-CD1 4.43Å; V417-L633 HydrophobicContact CB-CD2 4.33Å; V417-L633 HydrophobicContact CG1-CD2 3.84Å
418	S	91.8	Very high	95.8	Very high	29 Å²	29	28.4 Å²	28.4	20%	0.203	15%	0.148	C	C	.	.	I	π-helix	trans	-88.7	-36.3	176.3	-161.1	0	0	0	0	112.6	Q415 F416 D671	Q415-S418 PolarHBondContact O-N 2.92Å; F416-S418 VanDerWaalsContact C-N 3.31Å; F416-S418 PolarHBondContact O-N 3.13Å; S418-D671 PolarHBondContact OG-OD1 2.97Å
419	A	93.1	Very high	95.9	Very high	44 Å²	44	24.5 Å²	24.5	36%	0.364	12%	0.123	S	C	.	.	I	π-helix	trans	-76.1	-38.3	-175.2	0	0	0	0	0	114.1	Y400 Q415 R423	Y400-A419 WeakPolarHBondContact OH-CB 3.21Å; Q415-A419 WeakPolarHBondContact O-CB 3.41Å; Q415-A419 PolarHBondContact O-N 3.39Å; A419-R423 VanDerWaalsContact O-CB 3.24Å; A419-R423 WeakPolarHBondContact O-CB 3.32Å; A419-R423 WeakPolarHBondContact O-CD 3.39Å; A419-R423 PolarHBondContact O-NE 2.84Å
420	D	96.3	Very high	96.1	Very high	7 Å²	7	19.2 Å²	19.2	4%	0.037	10%	0.099	C	C	.	.	I	π-helix	trans	-126.4	-51.9	-172.3	-75.8	-68.6	0	0	0	113.2	Y400 F416 T422 R423 A424 S456	Y400-D420 PolarHBondContact OH-OD2 3.38Å; F416-D420 HydrophobicContact CD2-CB 4.36Å; F416-D420 HydrophobicContact CE2-CB 4.11Å; F416-D420 HydrophobicContact CZ-CB 4.28Å; F416-D420 PolarHBondContact O-N 2.8Å; D420-T422 PolarHBondContact O-N 3.35Å; D420-R423 CarbonylContact O-C 3.55Å; D420-R423 PolarHBondContact O-N 2.86Å; D420-R423 VanDerWaalsContact O-N 3.13Å; D420-R423 IonicContact OD1-CZ 3.28Å; D420-R423 IonicContact OD1-NE 3.61Å; D420-R423 PolarHBondContact OD1-NE 2.83Å; D420-R423 IonicContact OD1-NH2 3.23Å; D420-R423 PolarHBondContact OD1-NH2 3.19Å; D420-A424 WeakPolarHBondContact O-CB 3.45Å; D420-A424 PolarHBondContact O-N 2.86Å; D420-S456 VanDerWaalsContact O-CB 3.32Å; D420-S456 WeakPolarHBondContact O-CB 3.45Å; D420-S456 WeakPolarHBondContact OD1-CB 3.09Å; D420-S456 PolarHBondContact OD1-OG 3.36Å
421	Y	97.5	Very high	96	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.016	12%	0.118	C	C	.	.	I	π-helix	trans	-57.8	-52.5	-178.2	-177.9	-90.5	0	0	0	112.1	F416 V417 A424 L425 T602 G604 F605 Y606	F416-Y421 PolarHBondContact O-N 2.78Å; V417-Y421 HydrophobicContact CG1-CD1 3.85Å; V417-Y421 HydrophobicContact CG1-CG 4.28Å; V417-Y421 WeakPolarHBondContact O-CB 3.34Å; Y421-A424 PolarHBondContact O-N 2.9Å; Y421-L425 HydrophobicContact CD1-CD1 3.69Å; Y421-L425 HydrophobicContact CD1-CG 4.47Å; Y421-L425 HydrophobicContact CE1-CD1 3.23Å; Y421-L425 HydrophobicContact CE1-CG 4.29Å; Y421-L425 WeakPolarHBondContact O-CG 3.34Å; Y421-L425 PolarHBondContact O-N 3.02Å; Y421-T602 HydrophobicContact CD1-CG2 4.1Å; Y421-T602 HydrophobicContact CE1-CG2 3.53Å; Y421-T602 HydrophobicContact CE2-CG2 4.38Å; Y421-G604 WeakPolarHBondContact CE2-O 3.24Å; Y421-G604 PolarHBondContact OH-O 3.33Å; Y421-F605 AromaticContact CD2-CD2 3.98Å; Y421-F605 HydrophobicContact CD2-CD2 3.98Å; Y421-F605 AromaticContact CE2-CD2 3.93Å; Y421-F605 HydrophobicContact CE2-CD2 3.93Å; Y421-Y606 PolarHBondContact OH-N 3.34Å; Y421-Y606 PolarHBondContact OH-O 3.11Å
422	T	96.3	Very high	95.9	Very high	12 Å²	12	21.3 Å²	21.3	7%	0.074	11%	0.112	C	C	.	.	H	α-helix	trans	-62	-43.1	173.3	-65.9	0	0	0	0	111.8	V417 D420 A424 L425 D426 N637	V417-T422 WeakPolarHBondContact O-CB 3.49Å; V417-T422 PolarHBondContact O-N 3.14Å; V417-T422 PolarHBondContact O-OG1 2.85Å; D420-T422 PolarHBondContact O-N 3.35Å; T422-A424 VanDerWaalsContact C-N 3.26Å; T422-A424 PolarHBondContact O-N 2.7Å; T422-L425 PolarHBondContact O-N 3.38Å; T422-D426 WeakPolarHBondContact O-CB 3.38Å; T422-D426 PolarHBondContact O-N 2.84Å; T422-N637 WeakPolarHBondContact CG2-ND2 3.46Å; T422-N637 VanDerWaalsContact OG1-CG 3.3Å; T422-N637 PolarHBondContact OG1-ND2 3.45Å; T422-N637 PolarHBondContact OG1-OD1 3.02Å
423	R	95.6	Very high	95.9	Very high	111 Å²	111	21.9 Å²	21.9	42%	0.419	12%	0.116	S	C	.	.	H	α-helix	trans	-59.4	-35.9	-179.9	-178.6	168.7	70.2	105.5	-19.2	112.6	A419 D420 A452 S456	A419-R423 VanDerWaalsContact O-CB 3.24Å; A419-R423 WeakPolarHBondContact O-CB 3.32Å; A419-R423 WeakPolarHBondContact O-CD 3.39Å; A419-R423 PolarHBondContact O-NE 2.84Å; D420-R423 CarbonylContact O-C 3.55Å; D420-R423 PolarHBondContact O-N 2.86Å; D420-R423 VanDerWaalsContact O-N 3.13Å; D420-R423 IonicContact OD1-CZ 3.28Å; D420-R423 IonicContact OD1-NE 3.61Å; D420-R423 PolarHBondContact OD1-NE 2.83Å; D420-R423 IonicContact OD1-NH2 3.23Å; D420-R423 PolarHBondContact OD1-NH2 3.19Å; R423-A452 HydrophobicContact CG-CB 3.86Å; R423-S456 PolarHBondContact NE-OG 2.83Å; R423-S456 VanDerWaalsContact NE-OG 3.13Å; R423-S456 PolarHBondContact NH1-OG 3.11Å; R423-S456 PolarHBondContact NH2-OG 3.38Å
424	A	97.8	Very high	95.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-72.4	-52	172.4	0	0	0	0	0	112	D420 Y421 T422 D426 L427 D428 K457 F605	D420-A424 WeakPolarHBondContact O-CB 3.45Å; D420-A424 PolarHBondContact O-N 2.86Å; Y421-A424 PolarHBondContact O-N 2.9Å; T422-A424 VanDerWaalsContact C-N 3.26Å; T422-A424 PolarHBondContact O-N 2.7Å; A424-D426 VanDerWaalsContact C-N 3.29Å; A424-D426 PolarHBondContact O-N 2.8Å; A424-L427 PolarHBondContact O-N 3.35Å; A424-D428 VanDerWaalsContact O-CB 3.25Å; A424-D428 WeakPolarHBondContact O-CB 3.4Å; A424-D428 PolarHBondContact O-N 3.45Å; A424-K457 HydrophobicContact CB-CB 3.99Å; A424-F605 HydrophobicContact CB-CE2 3.61Å; A424-F605 HydrophobicContact CB-CZ 3.63Å
425	L	98	Very high	95.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.5	-36.5	-177.8	-70.5	176.7	0	0	0	112.8	Y421 T422 L427 A429 F520 F605 R607	Y421-L425 HydrophobicContact CD1-CD1 3.69Å; Y421-L425 HydrophobicContact CD1-CG 4.47Å; Y421-L425 HydrophobicContact CE1-CD1 3.23Å; Y421-L425 HydrophobicContact CE1-CG 4.29Å; Y421-L425 WeakPolarHBondContact O-CG 3.34Å; Y421-L425 PolarHBondContact O-N 3.02Å; T422-L425 PolarHBondContact O-N 3.38Å; L425-L427 VanDerWaalsContact C-N 3.34Å; L425-A429 WeakPolarHBondContact O-CB 3.41Å; L425-A429 PolarHBondContact O-N 2.86Å; L425-A429 VanDerWaalsContact O-N 3.11Å; L425-F520 HydrophobicContact CB-CE1 4.1Å; L425-F520 HydrophobicContact CB-CZ 4.03Å; L425-F520 HydrophobicContact CD2-CB 4.45Å; L425-F520 HydrophobicContact CD2-CD1 3.58Å; L425-F520 HydrophobicContact CD2-CD2 3.59Å; L425-F520 HydrophobicContact CD2-CE1 3.57Å; L425-F520 HydrophobicContact CD2-CE2 3.6Å; L425-F520 HydrophobicContact CD2-CG 3.59Å; L425-F520 HydrophobicContact CD2-CZ 3.56Å; L425-F520 HydrophobicContact CG-CE1 4.44Å; L425-F520 HydrophobicContact CG-CZ 4.37Å; L425-F520 WeakPolarHBondContact O-CE1 3.45Å; L425-F520 WeakPolarHBondContact O-CZ 3.24Å; L425-F605 HydrophobicContact CD2-CD1 4.27Å; L425-F605 HydrophobicContact CD2-CD2 3.97Å; L425-F605 HydrophobicContact CD2-CE1 3.82Å; L425-F605 HydrophobicContact CD2-CE2 3.5Å; L425-F605 VanDerWaalsContact CD2-CE2 3.5Å; L425-F605 HydrophobicContact CD2-CG 4.34Å; L425-F605 HydrophobicContact CD2-CZ 3.42Å; L425-F605 VanDerWaalsContact CD2-CZ 3.42Å; L425-F605 HydrophobicContact CG-CD2 4.3Å; L425-F605 HydrophobicContact CG-CE2 3.62Å; L425-F605 HydrophobicContact CG-CZ 3.86Å; L425-R607 HydrophobicContact CD1-CG 3.96Å; L425-R607 HydrophobicContact CD2-CG 4.46Å
426	D	95.9	Very high	95.8	Very high	50 Å²	50	20.7 Å²	20.7	27%	0.267	12%	0.115	S	C	.	.	H	α-helix	trans	-78.3	-20	-177.8	-72.1	-3	0	0	0	113.1	T422 A424 R607 S641	T422-D426 WeakPolarHBondContact O-CB 3.38Å; T422-D426 PolarHBondContact O-N 2.84Å; A424-D426 VanDerWaalsContact C-N 3.29Å; A424-D426 PolarHBondContact O-N 2.8Å; D426-R607 IonicContact OD1-CZ 2.72Å; D426-R607 IonicContact OD1-NH2 2.95Å; D426-R607 PolarHBondContact OD1-NH2 3.35Å; D426-S641 PolarHBondContact OD1-OG 3.47Å
427	L	95.8	Very high	95.6	Very high	10 Å²	10	21.8 Å²	21.8	5%	0.052	12%	0.12	C	C	.	.	H	α-helix	trans	-85.9	-45.2	169.9	-173	59	0	0	0	111.6	A424 L425 A429 L430 D451 A452 I453 Q903	A424-L427 PolarHBondContact O-N 3.35Å; L425-L427 VanDerWaalsContact C-N 3.34Å; L427-A429 PolarHBondContact O-N 2.61Å; L427-L430 HydrophobicContact CD1-CD1 4.16Å; L427-L430 VanDerWaalsContact O-CB 3.3Å; L427-L430 WeakPolarHBondContact O-CB 3.29Å; L427-L430 WeakPolarHBondContact O-CG 3.43Å; L427-L430 PolarHBondContact O-N 3Å; L427-D451 WeakPolarHBondContact CD2-OD2 3.47Å; L427-A452 HydrophobicContact CB-CB 4.4Å; L427-A452 HydrophobicContact CD2-CB 3.66Å; L427-I453 HydrophobicContact CD2-CD1 4.25Å; L427-I453 HydrophobicContact CD2-CG1 4.22Å; L427-I453 HydrophobicContact CG-CD1 4.32Å; L427-Q903 HydrophobicContact CD1-CG 4.38Å
428	D	97.5	Very high	95.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-77.5	-8.7	-173.7	-164.3	39.9	0	0	0	113.8	A424 L430 S433 I453 K457 G519 F520	A424-D428 VanDerWaalsContact O-CB 3.25Å; A424-D428 WeakPolarHBondContact O-CB 3.4Å; A424-D428 PolarHBondContact O-N 3.45Å; D428-L430 VanDerWaalsContact C-N 3.27Å; D428-S433 WeakPolarHBondContact CA-OG 3.26Å; D428-S433 PolarHBondContact OD1-OG 2.75Å; D428-I453 HydrophobicContact CB-CD1 3.73Å; D428-K457 IonicContact OD1-NZ 2.66Å; D428-K457 PolarHBondContact OD1-NZ 3.32Å; D428-K457 WeakPolarHBondContact OD2-CD 3.3Å; D428-K457 WeakPolarHBondContact OD2-CE 3.44Å; D428-K457 IonicContact OD2-NZ 2.94Å; D428-K457 PolarHBondContact OD2-NZ 2.86Å; D428-G519 WeakPolarHBondContact O-CA 3.27Å; D428-G519 WeakPolarHBondContact OD1-CA 3.25Å; D428-G519 PolarHBondContact OD1-N 2.87Å; D428-G519 WeakPolarHBondContact OD2-CA 3.37Å; D428-G519 PolarHBondContact OD2-N 3.18Å; D428-F520 HydrophobicContact CB-CD1 3.98Å; D428-F520 HydrophobicContact CB-CE1 4.06Å
429	A	97.4	Very high	94.9	Very high	3 Å²	3	28.5 Å²	28.5	3%	0.025	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-13.3	166.1	0	0	0	0	0	113.2	L425 L427 F520 F543 C544 A545	L425-A429 WeakPolarHBondContact O-CB 3.41Å; L425-A429 PolarHBondContact O-N 2.86Å; L425-A429 VanDerWaalsContact O-N 3.11Å; L427-A429 PolarHBondContact O-N 2.61Å; A429-F520 HydrophobicContact CB-CE1 4.12Å; A429-F520 HydrophobicContact CB-CZ 4.01Å; A429-F543 HydrophobicContact CB-CD1 3.71Å; A429-F543 HydrophobicContact CB-CE1 3.69Å; A429-C544 CarbonylContact O-C 3.48Å; A429-C544 VanDerWaalsContact O-CA 3.23Å; A429-C544 WeakPolarHBondContact O-CA 3.23Å; A429-A545 HydrophobicContact CB-CB 3.99Å; A429-A545 PolarHBondContact O-N 3.43Å
430	L	96.6	Very high	94.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-77.3	145.5	177.6	-59.6	-174.4	0	0	0	111	L427 D428 S432 S433 A545 Q903 E906 L910	L427-L430 HydrophobicContact CD1-CD1 4.16Å; L427-L430 VanDerWaalsContact O-CB 3.3Å; L427-L430 WeakPolarHBondContact O-CB 3.29Å; L427-L430 WeakPolarHBondContact O-CG 3.43Å; L427-L430 PolarHBondContact O-N 3Å; D428-L430 VanDerWaalsContact C-N 3.27Å; L430-S432 PolarHBondContact O-N 3.1Å; L430-S433 VanDerWaalsContact O-CB 3.31Å; L430-S433 WeakPolarHBondContact O-CB 3.31Å; L430-S433 PolarHBondContact O-N 3.14Å; L430-A545 HydrophobicContact CD2-CB 4.04Å; L430-Q903 HydrophobicContact CD1-CB 3.85Å; L430-Q903 HydrophobicContact CD1-CG 3.97Å; L430-E906 VanDerWaalsContact CA-OE1 3.29Å; L430-E906 WeakPolarHBondContact CA-OE1 3.46Å; L430-E906 HydrophobicContact CD2-CG 4.37Å; L430-L910 HydrophobicContact CD2-CD1 3.67Å
431	D	93.8	Very high	93.6	Very high	86 Å²	86	28.4 Å²	28.4	46%	0.46	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-12	171.2	-70.3	-41.5	0	0	0	111.7	M518 K542 C544 E906	D431-M518 WeakPolarHBondContact O-CE 3.4Å; D431-K542 IonicContact OD1-NZ 3.85Å; D431-K542 PolarHBondContact OD1-NZ 3.24Å; D431-C544 PolarHBondContact OD1-SG 3.05Å; D431-E906 PolarHBondContact N-OE1 3.32Å; D431-E906 PolarHBondContact N-OE2 3.17Å
432	S	93.5	Very high	92.8	Very high	14 Å²	14	30.5 Å²	30.5	10%	0.098	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	26	167.9	56.3	0	0	0	0	115.1	L430 Q903 E906	L430-S432 PolarHBondContact O-N 3.1Å; S432-Q903 WeakPolarHBondContact O-CG 3.38Å; S432-Q903 PolarHBondContact O-NE2 2.87Å; S432-Q903 VanDerWaalsContact OG-CA 3.3Å; S432-Q903 WeakPolarHBondContact OG-CA 3.41Å; S432-Q903 VanDerWaalsContact OG-CG 3.31Å; S432-Q903 WeakPolarHBondContact OG-CG 3.48Å; S432-Q903 PolarHBondContact OG-N 3.12Å; S432-E906 WeakPolarHBondContact CB-OE2 3.37Å; S432-E906 PolarHBondContact N-OE2 3.43Å; S432-E906 PolarHBondContact OG-OE2 3.37Å
433	S	94.7	Very high	91.9	Very high	13 Å²	13	30.2 Å²	30.2	9%	0.091	17%	0.166	C	C	.	.			trans	-76.7	-164.4	165.6	-173	0	0	0	0	111.6	D428 L430	D428-S433 WeakPolarHBondContact CA-OG 3.26Å; D428-S433 PolarHBondContact OD1-OG 2.75Å; L430-S433 VanDerWaalsContact O-CB 3.31Å; L430-S433 WeakPolarHBondContact O-CB 3.31Å; L430-S433 PolarHBondContact O-N 3.14Å
434	H	94.3	Very high	91	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.056	17%	0.166	C	C	.	.			trans	-151.6	167.9	167.8	50	93.9	0	0	0	111.7	V438 D451 I453 R899	H434-V438 HydrophobicContact CB-CG2 4.02Å; H434-V438 WeakPolarHBondContact ND1-CG2 3.29Å; H434-D451 IonicContact CE1-OD1 2.84Å; H434-D451 IonicContact NE2-OD1 3.61Å; H434-D451 IonicContact NE2-OD2 3.49Å; H434-D451 PolarHBondContact NE2-OD2 2.72Å; H434-I453 VanDerWaalsContact CE1-CB 3.48Å; H434-I453 WeakPolarHBondContact CE1-CB 3.36Å; H434-R899 PolarHBondContact CD2-NH1 3Å; H434-R899 PolarHBondContact NE2-NH1 3.28Å
435	P	95.9	Very high	90.1	Very high	35 Å²	35	30.9 Å²	30.9	23%	0.227	18%	0.18	C	C	.	.			trans	-61	167.8	164.5	-19.3	33.2	0	0	0	112	V438 T515 M518	P435-V438 VanDerWaalsContact O-CG2 3.26Å; P435-V438 WeakPolarHBondContact O-CG2 3.44Å; P435-T515 WeakPolarHBondContact CB-O 3.44Å; P435-M518 HydrophobicContact CG-CB 4.4Å
436	I	95.8	Very high	89.4	Confident	4 Å²	4	30.9 Å²	30.9	2%	0.021	18%	0.18	C	C	.	.	S	Bend	trans	-69.8	-39.4	171	-54.5	177.4	0	0	0	109.7	W389 V438 I453 K457 V461 T515	W389-I436 HydrophobicContact CB-CG2 3.46Å; W389-I436 VanDerWaalsContact CB-CG2 3.46Å; W389-I436 HydrophobicContact CD2-CG2 3.7Å; W389-I436 HydrophobicContact CE3-CG2 4.24Å; W389-I436 HydrophobicContact CG-CG2 3.3Å; I436-V438 PolarHBondContact O-N 2.79Å; I436-I453 HydrophobicContact CB-CG2 4.5Å; I436-I453 HydrophobicContact CG1-CG2 4.09Å; I436-K457 HydrophobicContact CD1-CD 4Å; I436-K457 HydrophobicContact CD1-CG 3.88Å; I436-K457 HydrophobicContact CG1-CD 3.75Å; I436-K457 HydrophobicContact CG1-CG 4.09Å; I436-V461 HydrophobicContact CD1-CB 4.43Å; I436-V461 HydrophobicContact CD1-CG2 4.06Å; I436-T515 HydrophobicContact CB-CG2 4.41Å; I436-T515 HydrophobicContact CD1-CG2 4.17Å; I436-T515 PolarHBondContact N-O 2.71Å
437	E	93.8	Very high	88.8	Confident	23 Å²	23	29.8 Å²	29.8	11%	0.107	17%	0.174	C	C	.	.	S	Bend	trans	-89.3	93.7	173.7	-69.4	177.8	-89.4	0	0	110.1	H387 T492 T515 K516	H387-E437 IonicContact CE1-OE2 2.68Å; H387-E437 IonicContact ND1-OE2 3.87Å; E437-T492 WeakPolarHBondContact OE2-CB 3.01Å; E437-T492 WeakPolarHBondContact OE2-CG2 3.31Å; E437-T492 PolarHBondContact OE2-OG1 3.43Å; E437-T515 PolarHBondContact N-O 3.28Å; E437-T515 WeakPolarHBondContact OE1-CB 3.2Å; E437-T515 PolarHBondContact OE1-OG1 3Å; E437-K516 WeakPolarHBondContact OE1-CE 3.27Å; E437-K516 WeakPolarHBondContact OE1-CG 3.44Å
438	V	86.9	Confident	88.1	Confident	24 Å²	24	30.6 Å²	30.6	15%	0.145	18%	0.178	C	C	.	.			trans	-94.4	124.3	178.9	-174	0	0	0	0	109.8	T386 H434 P435 I436 V440 I449	T386-V438 WeakPolarHBondContact CA-O 3.28Å; T386-V438 WeakPolarHBondContact CB-O 3.33Å; T386-V438 WeakPolarHBondContact CG2-O 3.41Å; T386-V438 PolarHBondContact OG1-O 3.48Å; H434-V438 HydrophobicContact CB-CG2 4.02Å; H434-V438 WeakPolarHBondContact ND1-CG2 3.29Å; P435-V438 VanDerWaalsContact O-CG2 3.26Å; P435-V438 WeakPolarHBondContact O-CG2 3.44Å; I436-V438 PolarHBondContact O-N 2.79Å; V438-V440 PolarHBondContact O-N 3.02Å; V438-I449 HydrophobicContact CB-CG2 3.93Å; V438-I449 HydrophobicContact CG1-CG2 3.95Å; V438-I449 HydrophobicContact CG2-CG2 3.81Å
439	N	85.7	Confident	87.5	Confident	146 Å²	146	30.7 Å²	30.7	78%	0.781	18%	0.178	S	C	*	.			trans	-67.3	93.7	171.8	-72.7	-40.5	0	0	0	110.5	G441	N439-G441 PolarHBondContact O-N 3.41Å
440	V	83.3	Confident	86.8	Confident	11 Å²	11	31.7 Å²	31.7	7%	0.067	18%	0.182	C	C	.	.			trans	-71.7	110.3	174.5	174.7	0	0	0	0	108.9	W384 W385 T386 V438 H442 V446 I449	W384-V440 PolarHBondContact NE1-O 3.32Å; W385-V440 HydrophobicContact CB-CB 4.16Å; W385-V440 HydrophobicContact CB-CG1 4.18Å; W385-V440 HydrophobicContact CB-CG2 3.86Å; T386-V440 PolarHBondContact OG1-N 2.96Å; V438-V440 PolarHBondContact O-N 3.02Å; V440-H442 WeakPolarHBondContact CG1-O 3.17Å; V440-V446 HydrophobicContact CG1-CG2 3.7Å; V440-I449 HydrophobicContact CG2-CD1 3.63Å; V440-I449 HydrophobicContact CG2-CG1 4.49Å
441	G	79	Confident	86.5	Confident	39 Å²	39	33 Å²	33	40%	0.402	19%	0.189	S	C	.	.			trans	-77.4	-53.9	177.2	0	0	0	0	0	111.2	F68 N439 E445	F68-G441 WeakPolarHBondContact CB-O 3.3Å; F68-G441 WeakPolarHBondContact CD1-O 3.34Å; F68-G441 WeakPolarHBondContact CG-O 3.37Å; N439-G441 PolarHBondContact O-N 3.41Å; G441-E445 VanDerWaalsContact CA-OE2 3.32Å; G441-E445 WeakPolarHBondContact CA-OE2 3.12Å; G441-E445 PolarHBondContact N-OE2 3.37Å
442	H	81.4	Confident	86.4	Confident	48 Å²	48	29.4 Å²	29.4	22%	0.222	17%	0.171	C	C	.	.	S	Bend	trans	-121.6	142.2	-177.4	-168.2	-98.8	0	0	0	111.6	F68 V440 S444 E445	F68-H442 HydrophobicContact CB-CB 4.37Å; F68-H442 AromaticContact CD2-CD2 3.34Å; F68-H442 WeakPolarHBondContact CD2-CD2 3.23Å; F68-H442 AromaticContact CD2-NE2 3.86Å; F68-H442 AromaticContact CG-CD2 3.84Å; V440-H442 WeakPolarHBondContact CG1-O 3.17Å; H442-S444 PolarHBondContact ND1-N 3.3Å; H442-S444 PolarHBondContact ND1-OG 2.9Å; H442-S444 PolarHBondContact O-N 3.32Å; H442-E445 HydrophobicContact CB-CG 4.25Å; H442-E445 VanDerWaalsContact N-CD 3.29Å; H442-E445 PolarHBondContact N-OE2 2.83Å; H442-E445 VanDerWaalsContact O-CB 3.24Å; H442-E445 WeakPolarHBondContact O-CB 3.19Å; H442-E445 WeakPolarHBondContact O-CG 3.42Å; H442-E445 PolarHBondContact O-N 2.93Å
443	P	77.5	Confident	86.5	Confident	6 Å²	6	28.7 Å²	28.7	4%	0.039	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-56.9	-26.4	-178.8	-29	36.8	0	0	0	115.8	F68 T199 W384 E445 V446	F68-P443 HydrophobicContact CE1-CG 4.25Å; F68-P443 HydrophobicContact CE2-CG 4.01Å; F68-P443 HydrophobicContact CZ-CG 3.71Å; T199-P443 HydrophobicContact CG2-CB 3.94Å; W384-P443 HydrophobicContact CH2-CG 4.02Å; W384-P443 HydrophobicContact CZ2-CG 4.33Å; P443-E445 PolarHBondContact O-N 3.13Å; P443-V446 WeakPolarHBondContact O-CB 3.17Å; P443-V446 WeakPolarHBondContact O-CG2 3.3Å; P443-V446 PolarHBondContact O-N 2.85Å
444	S	75.8	Confident	86.5	Confident	61 Å²	61	28.1 Å²	28.1	43%	0.427	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-69.3	-8.3	174.2	67.7	0	0	0	0	114.5	H442	H442-S444 PolarHBondContact ND1-N 3.3Å; H442-S444 PolarHBondContact ND1-OG 2.9Å; H442-S444 PolarHBondContact O-N 3.32Å
445	E	79.5	Confident	86.6	Confident	63 Å²	63	30.1 Å²	30.1	29%	0.294	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-87.7	-12.2	175.6	-59.7	161.9	-177.5	0	0	111.6	G441 H442 P443 D447 E448	G441-E445 VanDerWaalsContact CA-OE2 3.32Å; G441-E445 WeakPolarHBondContact CA-OE2 3.12Å; G441-E445 PolarHBondContact N-OE2 3.37Å; H442-E445 HydrophobicContact CB-CG 4.25Å; H442-E445 VanDerWaalsContact N-CD 3.29Å; H442-E445 PolarHBondContact N-OE2 2.83Å; H442-E445 VanDerWaalsContact O-CB 3.24Å; H442-E445 WeakPolarHBondContact O-CB 3.19Å; H442-E445 WeakPolarHBondContact O-CG 3.42Å; H442-E445 PolarHBondContact O-N 2.93Å; P443-E445 PolarHBondContact O-N 3.13Å; E445-D447 VanDerWaalsContact C-N 3.34Å; E445-D447 PolarHBondContact O-N 2.92Å; E445-E448 WeakPolarHBondContact O-CB 3.45Å; E445-E448 PolarHBondContact O-N 3Å; E445-E448 VanDerWaalsContact O-N 3.15Å
446	V	83.6	Confident	86.7	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-66.5	-37.3	-176.3	-172.3	0	0	0	0	111.1	A198 W385 L388 V440 P443 E448 I449 F450	A198-V446 HydrophobicContact CB-CB 4.13Å; A198-V446 HydrophobicContact CB-CG1 4.02Å; W385-V446 HydrophobicContact CB-CG1 4.08Å; W385-V446 HydrophobicContact CB-CG2 3.66Å; W385-V446 HydrophobicContact CD2-CG1 3.81Å; W385-V446 HydrophobicContact CD2-CG2 3.95Å; W385-V446 HydrophobicContact CE3-CG1 3.61Å; W385-V446 HydrophobicContact CG-CB 4.44Å; W385-V446 HydrophobicContact CG-CG1 4Å; W385-V446 HydrophobicContact CG-CG2 3.46Å; W385-V446 VanDerWaalsContact CG-CG2 3.46Å; W385-V446 HydrophobicContact CZ3-CG1 4.36Å; L388-V446 HydrophobicContact CD2-CG1 4.39Å; V440-V446 HydrophobicContact CG1-CG2 3.7Å; P443-V446 WeakPolarHBondContact O-CB 3.17Å; P443-V446 WeakPolarHBondContact O-CG2 3.3Å; P443-V446 PolarHBondContact O-N 2.85Å; V446-E448 PolarHBondContact O-N 3.11Å; V446-I449 HydrophobicContact CG1-CD1 4.37Å; V446-I449 HydrophobicContact CG1-CG1 4.16Å; V446-I449 WeakPolarHBondContact O-CG1 3.3Å; V446-I449 PolarHBondContact O-N 3.29Å; V446-F450 HydrophobicContact CG1-CD2 3.93Å; V446-F450 HydrophobicContact CG1-CE2 3.47Å; V446-F450 VanDerWaalsContact CG1-CE2 3.47Å; V446-F450 HydrophobicContact CG1-CZ 4.36Å; V446-F450 WeakPolarHBondContact O-CD2 3.47Å; V446-F450 PolarHBondContact O-N 2.96Å
447	D	82.4	Confident	86.8	Confident	27 Å²	27	28.3 Å²	28.3	14%	0.144	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-50.4	-29.6	172.4	-79.1	1.2	0	0	0	113.6	E445 G861 G862 A896	E445-D447 VanDerWaalsContact C-N 3.34Å; E445-D447 PolarHBondContact O-N 2.92Å; D447-G861 VanDerWaalsContact OD2-CA 3.24Å; D447-G861 WeakPolarHBondContact OD2-CA 3.48Å; D447-G862 PolarHBondContact OD2-N 3.09Å; D447-A896 HydrophobicContact CB-CB 3.96Å
448	E	82.2	Confident	87	Confident	27 Å²	27	27.2 Å²	27.2	13%	0.126	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-82.6	-17	178.6	-63.6	-152.6	132	0	0	114.1	E445 V446 A897 E898 R899	E445-E448 WeakPolarHBondContact O-CB 3.45Å; E445-E448 PolarHBondContact O-N 3Å; E445-E448 VanDerWaalsContact O-N 3.15Å; V446-E448 PolarHBondContact O-N 3.11Å; E448-A897 VanDerWaalsContact OE1-C 3.3Å; E448-E898 PolarHBondContact OE1-N 2.92Å; E448-R899 PolarHBondContact O-NH1 2.94Å; E448-R899 WeakPolarHBondContact OE1-CB 3.44Å; E448-R899 PolarHBondContact OE1-N 2.93Å; E448-R899 WeakPolarHBondContact OE2-CB 3.45Å; E448-R899 IonicContact OE2-CZ 3.82Å; E448-R899 VanDerWaalsContact OE2-CZ 3.28Å; E448-R899 IonicContact OE2-NE 3.73Å; E448-R899 PolarHBondContact OE2-NE 3.09Å; E448-R899 IonicContact OE2-NH2 2.79Å; E448-R899 PolarHBondContact OE2-NH2 3.36Å
449	I	84.7	Confident	87.6	Confident	3 Å²	3	26 Å²	26	2%	0.015	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-5.6	177.1	63.4	160.7	0	0	0	113	W385 L388 V438 V440 V446 D451 S454	W385-I449 VanDerWaalsContact O-CD1 3.3Å; W385-I449 WeakPolarHBondContact O-CD1 3.45Å; L388-I449 HydrophobicContact CB-CD1 4.19Å; L388-I449 HydrophobicContact CD2-CD1 3.85Å; L388-I449 HydrophobicContact CD2-CG1 3.95Å; V438-I449 HydrophobicContact CB-CG2 3.93Å; V438-I449 HydrophobicContact CG1-CG2 3.95Å; V438-I449 HydrophobicContact CG2-CG2 3.81Å; V440-I449 HydrophobicContact CG2-CD1 3.63Å; V440-I449 HydrophobicContact CG2-CG1 4.49Å; V446-I449 HydrophobicContact CG1-CD1 4.37Å; V446-I449 HydrophobicContact CG1-CG1 4.16Å; V446-I449 WeakPolarHBondContact O-CG1 3.3Å; V446-I449 PolarHBondContact O-N 3.29Å; I449-D451 PolarHBondContact O-N 2.56Å; I449-S454 WeakPolarHBondContact O-CB 3.15Å; I449-S454 PolarHBondContact O-OG 2.92Å
450	F	83.3	Confident	88.2	Confident	23 Å²	23	19.1 Å²	19.1	10%	0.101	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	63.5	165.4	-78	-78.6	0	0	0	110.8	E197 A198 W385 L388 E392 V446 Y455 F863	E197-F450 HydrophobicContact CG-CZ 3.88Å; A198-F450 HydrophobicContact CB-CE2 4.23Å; W385-F450 HydrophobicContact CZ3-CZ 4.34Å; L388-F450 HydrophobicContact CD1-CE1 3.84Å; L388-F450 HydrophobicContact CD1-CZ 3.94Å; L388-F450 HydrophobicContact CD2-CD1 3.89Å; L388-F450 HydrophobicContact CD2-CD2 4.16Å; L388-F450 HydrophobicContact CD2-CE1 3.77Å; L388-F450 HydrophobicContact CD2-CE2 4.07Å; L388-F450 HydrophobicContact CD2-CG 4.09Å; L388-F450 HydrophobicContact CD2-CZ 3.86Å; L388-F450 HydrophobicContact CG-CE1 4.36Å; E392-F450 HydrophobicContact CG-CE1 4.48Å; V446-F450 HydrophobicContact CG1-CD2 3.93Å; V446-F450 HydrophobicContact CG1-CE2 3.47Å; V446-F450 VanDerWaalsContact CG1-CE2 3.47Å; V446-F450 HydrophobicContact CG1-CZ 4.36Å; V446-F450 WeakPolarHBondContact O-CD2 3.47Å; V446-F450 PolarHBondContact O-N 2.96Å; F450-Y455 HydrophobicContact CB-CE2 4.25Å; F450-Y455 AromaticContact CD1-CE2 3.97Å; F450-Y455 HydrophobicContact CD1-CE2 3.97Å; F450-Y455 WeakPolarHBondContact CD1-OH 3.44Å; F450-F863 HydrophobicContact CB-CD1 3.94Å; F450-F863 HydrophobicContact CB-CE1 3.51Å; F450-F863 HydrophobicContact CB-CZ 4.33Å; F450-F863 HydrophobicContact CD1-CE1 4.48Å; F450-F863 AromaticContact CD2-CE1 3.52Å; F450-F863 HydrophobicContact CD2-CE1 3.52Å; F450-F863 AromaticContact CD2-CZ 3.95Å; F450-F863 HydrophobicContact CD2-CZ 3.95Å; F450-F863 HydrophobicContact CE2-CE1 4.29Å; F450-F863 HydrophobicContact CE2-CZ 4.32Å; F450-F863 AromaticContact CG-CE1 3.62Å; F450-F863 HydrophobicContact CG-CE1 3.62Å; F450-F863 HydrophobicContact CG-CZ 4.06Å
451	D	88.5	Confident	88.9	Confident	29 Å²	29	18.6 Å²	18.6	16%	0.155	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.1	-167.4	-167.1	91.6	-35.6	0	0	0	113.4	L427 H434 I449 I453 S454 Y455	L427-D451 WeakPolarHBondContact CD2-OD2 3.47Å; H434-D451 IonicContact CE1-OD1 2.84Å; H434-D451 IonicContact NE2-OD1 3.61Å; H434-D451 IonicContact NE2-OD2 3.49Å; H434-D451 PolarHBondContact NE2-OD2 2.72Å; I449-D451 PolarHBondContact O-N 2.56Å; D451-I453 PolarHBondContact O-N 2.7Å; D451-I453 WeakPolarHBondContact OD1-CA 3.41Å; D451-I453 VanDerWaalsContact OD1-CB 3.28Å; D451-I453 WeakPolarHBondContact OD1-CB 3.33Å; D451-I453 PolarHBondContact OD1-N 2.71Å; D451-S454 PolarHBondContact OD1-N 3.09Å; D451-Y455 WeakPolarHBondContact O-CD2 3.43Å; D451-Y455 PolarHBondContact O-N 2.63Å
452	A	93	Very high	89.9	Confident	9 Å²	9	16.8 Å²	16.8	7%	0.074	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-9.2	179.8	0	0	0	0	0	114.3	R423 L427 S456 K457	R423-A452 HydrophobicContact CG-CB 3.86Å; L427-A452 HydrophobicContact CB-CB 4.4Å; L427-A452 HydrophobicContact CD2-CB 3.66Å; A452-S456 CarbonylContact O-C 3.48Å; A452-S456 WeakPolarHBondContact O-CA 3.38Å; A452-S456 VanDerWaalsContact O-CB 3.24Å; A452-S456 WeakPolarHBondContact O-CB 3.49Å; A452-S456 PolarHBondContact O-N 3.32Å; A452-K457 PolarHBondContact O-N 3.46Å
453	I	96.2	Very high	90.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.081	C	C	.	.	I	π-helix	trans	-79.8	-55	175	-54	-55	0	0	0	109.7	L427 D428 H434 I436 D451 Y455 K457 G458	L427-I453 HydrophobicContact CD2-CD1 4.25Å; L427-I453 HydrophobicContact CD2-CG1 4.22Å; L427-I453 HydrophobicContact CG-CD1 4.32Å; D428-I453 HydrophobicContact CB-CD1 3.73Å; H434-I453 VanDerWaalsContact CE1-CB 3.48Å; H434-I453 WeakPolarHBondContact CE1-CB 3.36Å; I436-I453 HydrophobicContact CB-CG2 4.5Å; I436-I453 HydrophobicContact CG1-CG2 4.09Å; D451-I453 PolarHBondContact O-N 2.7Å; D451-I453 WeakPolarHBondContact OD1-CA 3.41Å; D451-I453 VanDerWaalsContact OD1-CB 3.28Å; D451-I453 WeakPolarHBondContact OD1-CB 3.33Å; D451-I453 PolarHBondContact OD1-N 2.71Å; I453-Y455 PolarHBondContact O-N 3.02Å; I453-K457 HydrophobicContact CD1-CD 4.39Å; I453-K457 HydrophobicContact CG2-CB 4.34Å; I453-K457 HydrophobicContact CG2-CD 4.13Å; I453-K457 VanDerWaalsContact O-CB 3.29Å; I453-K457 WeakPolarHBondContact O-CB 3.21Å; I453-K457 PolarHBondContact O-N 3.41Å; I453-G458 PolarHBondContact O-N 3.28Å
454	S	94	Very high	91.7	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.007	8%	0.08	C	C	.	.	I	π-helix	trans	-63.1	-43.8	-178	-59	0	0	0	0	113.1	G393 I449 D451	G393-S454 PolarHBondContact N-O 2.91Å; I449-S454 WeakPolarHBondContact O-CB 3.15Å; I449-S454 PolarHBondContact O-OG 2.92Å; D451-S454 PolarHBondContact OD1-N 3.09Å
455	Y	96.4	Very high	92.8	Very high	54 Å²	54	12.7 Å²	12.7	21%	0.212	6%	0.06	C	C	.	.	I	π-helix	trans	-78.2	-71.5	177.6	-67.6	-105.7	0	0	0	110.8	E392 S396 F450 D451 I453 A459	E392-Y455 HydrophobicContact CB-CD1 4.21Å; E392-Y455 HydrophobicContact CB-CD2 4.42Å; E392-Y455 HydrophobicContact CB-CE1 4.28Å; E392-Y455 HydrophobicContact CB-CG 4.29Å; E392-Y455 HydrophobicContact CG-CE1 4.15Å; E392-Y455 HydrophobicContact CG-CE2 4.32Å; E392-Y455 VanDerWaalsContact OE1-CE1 3.31Å; E392-Y455 WeakPolarHBondContact OE1-CE1 3.42Å; E392-Y455 PolarHBondContact OE1-OH 2.94Å; E392-Y455 WeakPolarHBondContact OE2-CE1 3.38Å; S396-Y455 WeakPolarHBondContact OG-CD1 3.47Å; F450-Y455 HydrophobicContact CB-CE2 4.25Å; F450-Y455 AromaticContact CD1-CE2 3.97Å; F450-Y455 HydrophobicContact CD1-CE2 3.97Å; F450-Y455 WeakPolarHBondContact CD1-OH 3.44Å; D451-Y455 WeakPolarHBondContact O-CD2 3.43Å; D451-Y455 PolarHBondContact O-N 2.63Å; I453-Y455 PolarHBondContact O-N 3.02Å; Y455-A459 VanDerWaalsContact O-CB 3.29Å; Y455-A459 WeakPolarHBondContact O-CB 3.33Å; Y455-A459 PolarHBondContact O-N 3.44Å
456	S	98.2	Very high	93.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.054	C	C	.	.	I	π-helix	trans	-78.9	-40	-164.5	-47.5	0	0	0	0	114.7	D420 R423 A452 S460	D420-S456 VanDerWaalsContact O-CB 3.32Å; D420-S456 WeakPolarHBondContact O-CB 3.45Å; D420-S456 WeakPolarHBondContact OD1-CB 3.09Å; D420-S456 PolarHBondContact OD1-OG 3.36Å; R423-S456 PolarHBondContact NE-OG 2.83Å; R423-S456 VanDerWaalsContact NE-OG 3.13Å; R423-S456 PolarHBondContact NH1-OG 3.11Å; R423-S456 PolarHBondContact NH2-OG 3.38Å; A452-S456 CarbonylContact O-C 3.48Å; A452-S456 WeakPolarHBondContact O-CA 3.38Å; A452-S456 VanDerWaalsContact O-CB 3.24Å; A452-S456 WeakPolarHBondContact O-CB 3.49Å; A452-S456 PolarHBondContact O-N 3.32Å; S456-S460 VanDerWaalsContact O-CB 3.25Å; S456-S460 WeakPolarHBondContact O-CB 3.42Å; S456-S460 PolarHBondContact O-N 2.93Å; S456-S460 PolarHBondContact O-OG 2.86Å
457	K	98.4	Very high	94.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-69.3	-42.7	173.3	-171.7	-177.4	174.9	173.4	0	109.7	A424 D428 I436 A452 I453 S460 V461 G519 F605	A424-K457 HydrophobicContact CB-CB 3.99Å; D428-K457 IonicContact OD1-NZ 2.66Å; D428-K457 PolarHBondContact OD1-NZ 3.32Å; D428-K457 WeakPolarHBondContact OD2-CD 3.3Å; D428-K457 WeakPolarHBondContact OD2-CE 3.44Å; D428-K457 IonicContact OD2-NZ 2.94Å; D428-K457 PolarHBondContact OD2-NZ 2.86Å; I436-K457 HydrophobicContact CD1-CD 4Å; I436-K457 HydrophobicContact CD1-CG 3.88Å; I436-K457 HydrophobicContact CG1-CD 3.75Å; I436-K457 HydrophobicContact CG1-CG 4.09Å; A452-K457 PolarHBondContact O-N 3.46Å; I453-K457 HydrophobicContact CD1-CD 4.39Å; I453-K457 HydrophobicContact CG2-CB 4.34Å; I453-K457 HydrophobicContact CG2-CD 4.13Å; I453-K457 VanDerWaalsContact O-CB 3.29Å; I453-K457 WeakPolarHBondContact O-CB 3.21Å; I453-K457 PolarHBondContact O-N 3.41Å; K457-S460 PolarHBondContact O-N 3.38Å; K457-V461 HydrophobicContact CG-CG2 4.29Å; K457-V461 WeakPolarHBondContact O-CB 3.39Å; K457-V461 WeakPolarHBondContact O-CG2 3.41Å; K457-V461 PolarHBondContact O-N 3.29Å; K457-G519 PolarHBondContact NZ-O 3.06Å; K457-F605 HydrophobicContact CB-CZ 4.34Å; K457-F605 HydrophobicContact CD-CE1 3.97Å; K457-F605 HydrophobicContact CD-CZ 4.44Å; K457-F605 HydrophobicContact CG-CD1 4.22Å; K457-F605 HydrophobicContact CG-CE1 3.63Å; K457-F605 HydrophobicContact CG-CZ 3.84Å
458	G	97.9	Very high	95.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-48.6	-60.1	168.9	0	0	0	0	0	112	I453 S460 V461 I462	I453-G458 PolarHBondContact O-N 3.28Å; G458-S460 VanDerWaalsContact C-N 3.33Å; G458-S460 PolarHBondContact O-N 2.84Å; G458-V461 PolarHBondContact O-N 2.98Å; G458-I462 WeakPolarHBondContact O-CD1 3.46Å; G458-I462 VanDerWaalsContact O-CG1 3.27Å; G458-I462 WeakPolarHBondContact O-CG1 3.37Å; G458-I462 PolarHBondContact O-N 3.31Å
459	A	98.5	Very high	95.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.2	-38.2	179.9	0	0	0	0	0	113.9	G393 W397 F416 Y455 I462 R463	G393-A459 WeakPolarHBondContact O-CA 3.16Å; W397-A459 HydrophobicContact CB-CB 3.94Å; F416-A459 HydrophobicContact CE2-CB 4.08Å; F416-A459 HydrophobicContact CZ-CB 4.18Å; Y455-A459 VanDerWaalsContact O-CB 3.29Å; Y455-A459 WeakPolarHBondContact O-CB 3.33Å; Y455-A459 PolarHBondContact O-N 3.44Å; A459-I462 PolarHBondContact O-N 3.01Å; A459-R463 VanDerWaalsContact O-CB 3.31Å; A459-R463 WeakPolarHBondContact O-CB 3.2Å; A459-R463 PolarHBondContact O-N 3.4Å
460	S	98.6	Very high	96.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-70	-37.8	178.7	-61.2	0	0	0	0	112.5	S456 K457 G458 R463 M464 F605	S456-S460 VanDerWaalsContact O-CB 3.25Å; S456-S460 WeakPolarHBondContact O-CB 3.42Å; S456-S460 PolarHBondContact O-N 2.93Å; S456-S460 PolarHBondContact O-OG 2.86Å; K457-S460 PolarHBondContact O-N 3.38Å; G458-S460 VanDerWaalsContact C-N 3.33Å; G458-S460 PolarHBondContact O-N 2.84Å; S460-R463 PolarHBondContact O-N 3.17Å; S460-M464 WeakPolarHBondContact O-CB 3.4Å; S460-M464 PolarHBondContact O-N 2.7Å; S460-F605 VanDerWaalsContact CB-CD2 3.43Å
461	V	98.4	Very high	97.1	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-69.9	-38.4	173.8	171.5	0	0	0	0	110.7	I436 K457 G458 M464 L465 M511 W514 F605	I436-V461 HydrophobicContact CD1-CB 4.43Å; I436-V461 HydrophobicContact CD1-CG2 4.06Å; K457-V461 HydrophobicContact CG-CG2 4.29Å; K457-V461 WeakPolarHBondContact O-CB 3.39Å; K457-V461 WeakPolarHBondContact O-CG2 3.41Å; K457-V461 PolarHBondContact O-N 3.29Å; G458-V461 PolarHBondContact O-N 2.98Å; V461-M464 HydrophobicContact CG1-CE 4.45Å; V461-M464 HydrophobicContact CG2-CE 4.33Å; V461-M464 PolarHBondContact O-N 3.08Å; V461-L465 VanDerWaalsContact O-CB 3.28Å; V461-L465 WeakPolarHBondContact O-CB 3.36Å; V461-L465 PolarHBondContact O-N 3.45Å; V461-M511 HydrophobicContact CG1-CE 4.42Å; V461-M511 HydrophobicContact CG1-SD 3.67Å; V461-W514 HydrophobicContact CG1-CB 3.92Å; V461-W514 HydrophobicContact CG1-CG 4.45Å; V461-W514 HydrophobicContact CG2-CB 4.22Å; V461-W514 HydrophobicContact CG2-CE3 4.39Å; V461-F605 HydrophobicContact CG2-CB 4.43Å; V461-F605 HydrophobicContact CG2-CD1 4.45Å
462	I	98.6	Very high	97.6	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-64.7	-42.1	173.2	-65	158.8	0	0	0	111.1	W389 G393 F394 W397 G458 A459 M464 L465 H466 F474	W389-I462 HydrophobicContact CE3-CD1 4.28Å; W389-I462 HydrophobicContact CZ3-CD1 3.84Å; W389-I462 HydrophobicContact CZ3-CG1 3.89Å; G393-I462 VanDerWaalsContact O-CD1 3.27Å; G393-I462 WeakPolarHBondContact O-CD1 3.37Å; F394-I462 HydrophobicContact CB-CD1 4.45Å; F394-I462 HydrophobicContact CD1-CD1 4.26Å; F394-I462 HydrophobicContact CD1-CG2 4.48Å; F394-I462 HydrophobicContact CD2-CD1 3.5Å; F394-I462 VanDerWaalsContact CD2-CD1 3.5Å; F394-I462 HydrophobicContact CD2-CG1 4.41Å; F394-I462 HydrophobicContact CE1-CD1 4.36Å; F394-I462 HydrophobicContact CE1-CG2 4.09Å; F394-I462 HydrophobicContact CE2-CD1 3.61Å; F394-I462 HydrophobicContact CE2-CG1 4.03Å; F394-I462 HydrophobicContact CG-CD1 3.85Å; F394-I462 HydrophobicContact CZ-CD1 4.05Å; F394-I462 HydrophobicContact CZ-CG1 4.12Å; F394-I462 HydrophobicContact CZ-CG2 4.34Å; W397-I462 HydrophobicContact CB-CB 4.32Å; W397-I462 HydrophobicContact CB-CG2 4.13Å; W397-I462 HydrophobicContact CD2-CB 4.45Å; W397-I462 HydrophobicContact CD2-CG2 3.47Å; W397-I462 VanDerWaalsContact CD2-CG2 3.47Å; W397-I462 HydrophobicContact CE3-CG2 3.62Å; W397-I462 HydrophobicContact CG-CB 4.17Å; W397-I462 HydrophobicContact CG-CG2 3.68Å; W397-I462 HydrophobicContact CZ3-CG2 4.27Å; G458-I462 WeakPolarHBondContact O-CD1 3.46Å; G458-I462 VanDerWaalsContact O-CG1 3.27Å; G458-I462 WeakPolarHBondContact O-CG1 3.37Å; G458-I462 PolarHBondContact O-N 3.31Å; A459-I462 PolarHBondContact O-N 3.01Å; I462-M464 VanDerWaalsContact C-N 3.35Å; I462-M464 PolarHBondContact O-N 3.43Å; I462-L465 WeakPolarHBondContact O-CB 3.19Å; I462-L465 PolarHBondContact O-N 3.44Å; I462-H466 WeakPolarHBondContact O-CB 3.31Å; I462-H466 PolarHBondContact O-N 2.88Å; I462-F474 HydrophobicContact CG2-CE2 4.44Å; I462-F474 HydrophobicContact CG2-CZ 4Å
463	R	98.4	Very high	97.8	Very high	26 Å²	26	24.9 Å²	24.9	10%	0.098	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-42.2	174.7	-172.7	179.8	171.8	-120	-7.8	112.1	W413 F416 A459 S460 N467 G601 T602 V603	W413-R463 HydrophobicContact CZ3-CG 4.22Å; F416-R463 VanDerWaalsContact CE1-CD 3.44Å; A459-R463 VanDerWaalsContact O-CB 3.31Å; A459-R463 WeakPolarHBondContact O-CB 3.2Å; A459-R463 PolarHBondContact O-N 3.4Å; S460-R463 PolarHBondContact O-N 3.17Å; R463-N467 PolarHBondContact O-N 2.79Å; R463-G601 PolarHBondContact NH2-O 3.03Å; R463-T602 PolarHBondContact NH1-O 3.19Å; R463-V603 HydrophobicContact CG-CG1 4.49Å
464	M	98.6	Very high	97.9	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-63.4	-43.4	172.7	175.9	170	60.4	0	0	111.9	S460 V461 I462 N467 Y468 M511 W514 P560 G604 F605	S460-M464 WeakPolarHBondContact O-CB 3.4Å; S460-M464 PolarHBondContact O-N 2.7Å; V461-M464 HydrophobicContact CG1-CE 4.45Å; V461-M464 HydrophobicContact CG2-CE 4.33Å; V461-M464 PolarHBondContact O-N 3.08Å; I462-M464 VanDerWaalsContact C-N 3.35Å; I462-M464 PolarHBondContact O-N 3.43Å; M464-N467 PolarHBondContact O-N 2.98Å; M464-Y468 WeakPolarHBondContact O-CB 3.2Å; M464-Y468 PolarHBondContact O-N 3.29Å; M464-M511 HydrophobicContact CE-CE 4.5Å; M464-W514 HydrophobicContact CE-CD2 3.52Å; M464-W514 HydrophobicContact CE-CE3 3.9Å; M464-W514 HydrophobicContact CE-CG 4.02Å; M464-W514 HydrophobicContact CE-CH2 4Å; M464-W514 HydrophobicContact CE-CZ2 3.65Å; M464-W514 HydrophobicContact CE-CZ3 4.13Å; M464-W514 HydrophobicContact SD-CH2 4.36Å; M464-W514 HydrophobicContact SD-CZ2 4.01Å; M464-P560 HydrophobicContact CG-CG 4.33Å; M464-G604 VanDerWaalsContact SD-CA 3.58Å; M464-F605 HydrophobicContact CE-CB 4.1Å; M464-F605 HydrophobicContact SD-CB 4.45Å; M464-F605 PolarHBondContact SD-N 2.82Å
465	L	98.5	Very high	98.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-65.4	-43.5	179.3	179	59.3	0	0	0	112.4	V461 I462 Y468 I469 F474 W496 L499 I507 M511	V461-L465 VanDerWaalsContact O-CB 3.28Å; V461-L465 WeakPolarHBondContact O-CB 3.36Å; V461-L465 PolarHBondContact O-N 3.45Å; I462-L465 WeakPolarHBondContact O-CB 3.19Å; I462-L465 PolarHBondContact O-N 3.44Å; L465-Y468 HydrophobicContact CD1-CD1 4.46Å; L465-Y468 PolarHBondContact O-N 3.11Å; L465-Y468 VanDerWaalsContact O-N 3.16Å; L465-I469 HydrophobicContact CD1-CD1 3.63Å; L465-I469 HydrophobicContact CD1-CG1 3.96Å; L465-I469 HydrophobicContact CG-CD1 3.95Å; L465-I469 WeakPolarHBondContact O-CB 3.49Å; L465-I469 WeakPolarHBondContact O-CG1 3.04Å; L465-I469 PolarHBondContact O-N 2.91Å; L465-F474 HydrophobicContact CD2-CE2 4.48Å; L465-F474 HydrophobicContact CG-CE2 4.38Å; L465-W496 HydrophobicContact CD2-CE3 4.41Å; L465-W496 HydrophobicContact CD2-CH2 4.1Å; L465-W496 HydrophobicContact CD2-CZ3 3.51Å; L465-L499 HydrophobicContact CD2-CD1 3.81Å; L465-I507 HydrophobicContact CD1-CD1 4.02Å; L465-I507 HydrophobicContact CD1-CG2 3.9Å; L465-I507 HydrophobicContact CD2-CG2 4.47Å; L465-M511 HydrophobicContact CB-CE 4.33Å; L465-M511 HydrophobicContact CB-SD 3.88Å; L465-M511 HydrophobicContact CD1-CE 4.08Å; L465-M511 HydrophobicContact CD1-CG 3.83Å; L465-M511 HydrophobicContact CD1-SD 3.82Å; L465-M511 HydrophobicContact CD2-CG 3.96Å; L465-M511 HydrophobicContact CD2-SD 3.79Å; L465-M511 HydrophobicContact CG-CG 4.43Å; L465-M511 HydrophobicContact CG-SD 4.03Å
466	H	98.4	Very high	98.2	Very high	36 Å²	36	31 Å²	31	17%	0.167	15%	0.151	C	C	.	.	H	α-helix	trans	-58.6	-47.6	175.1	176.8	-89.4	0	0	0	111.3	Y312 W397 I462 Y468 I469 G470 D471 F474	Y312-H466 PolarHBondContact OH-NE2 3.27Å; W397-H466 HydrophobicContact CH2-CB 4.41Å; W397-H466 AromaticContact CH2-CD2 3.65Å; W397-H466 HydrophobicContact CZ2-CB 3.8Å; W397-H466 AromaticContact CZ2-CD2 3.57Å; W397-H466 AromaticContact CZ2-CG 3.63Å; I462-H466 WeakPolarHBondContact O-CB 3.31Å; I462-H466 PolarHBondContact O-N 2.88Å; H466-Y468 VanDerWaalsContact C-N 3.33Å; H466-Y468 PolarHBondContact O-N 3.05Å; H466-I469 PolarHBondContact O-N 2.94Å; H466-G470 WeakPolarHBondContact O-CA 3.29Å; H466-G470 PolarHBondContact O-N 3.13Å; H466-D471 IonicContact CE1-OD1 3.16Å; H466-D471 IonicContact NE2-OD1 3.09Å; H466-D471 PolarHBondContact NE2-OD1 2.57Å; H466-F474 HydrophobicContact CB-CD2 4.05Å; H466-F474 HydrophobicContact CB-CE2 4.08Å; H466-F474 HydrophobicContact CB-CG 4.44Å; H466-F474 HydrophobicContact CB-CZ 4.49Å; H466-F474 AromaticContact CD2-CD1 3.65Å; H466-F474 AromaticContact CD2-CG 3.66Å
467	N	97.4	Very high	98.3	Very high	47 Å²	47	31 Å²	31	25%	0.251	15%	0.151	S	C	.	.	H	α-helix	trans	-69	-26	175.3	170.9	63.4	0	0	0	113.8	R463 M464 R575 V603	R463-N467 PolarHBondContact O-N 2.79Å; M464-N467 PolarHBondContact O-N 2.98Å; N467-R575 PolarHBondContact O-NH1 3.11Å; N467-R575 VanDerWaalsContact O-NH1 3.16Å; N467-R575 PolarHBondContact OD1-NH1 2.93Å; N467-R575 PolarHBondContact OD1-NH2 3.03Å; N467-V603 HydrophobicContact CB-CG1 3.69Å
468	Y	98.1	Very high	98.3	Very high	43 Å²	43	31 Å²	31	17%	0.169	15%	0.151	C	C	.	.	H	α-helix	trans	-75.6	-39.3	173.7	176.1	-118.2	0	0	0	112.3	M464 L465 H466 K505 I507 V510 P560 L577	M464-Y468 WeakPolarHBondContact O-CB 3.2Å; M464-Y468 PolarHBondContact O-N 3.29Å; L465-Y468 HydrophobicContact CD1-CD1 4.46Å; L465-Y468 PolarHBondContact O-N 3.11Å; L465-Y468 VanDerWaalsContact O-N 3.16Å; H466-Y468 VanDerWaalsContact C-N 3.33Å; H466-Y468 PolarHBondContact O-N 3.05Å; Y468-K505 HydrophobicContact CE1-CB 4.19Å; Y468-K505 HydrophobicContact CE1-CD 4.29Å; Y468-K505 PolarHBondContact O-NZ 3.39Å; Y468-I507 HydrophobicContact CD1-CD1 4.05Å; Y468-I507 HydrophobicContact CE1-CD1 3.83Å; Y468-V510 HydrophobicContact CE1-CG2 4.41Å; Y468-P560 HydrophobicContact CD1-CG 4.48Å; Y468-P560 HydrophobicContact CD2-CB 3.77Å; Y468-P560 HydrophobicContact CD2-CG 3.89Å; Y468-P560 HydrophobicContact CE2-CB 4.5Å; Y468-P560 HydrophobicContact CE2-CG 4.49Å; Y468-P560 HydrophobicContact CG-CB 4.13Å; Y468-P560 HydrophobicContact CG-CG 3.89Å; Y468-L577 HydrophobicContact CE2-CD1 4.39Å
469	I	98.3	Very high	98.3	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.036	16%	0.161	C	C	.	.	H	α-helix	trans	-76.6	-51.7	177.3	-69.1	177.6	0	0	0	111.3	L465 H466 D473 F474 L499 K505 I507	L465-I469 HydrophobicContact CD1-CD1 3.63Å; L465-I469 HydrophobicContact CD1-CG1 3.96Å; L465-I469 HydrophobicContact CG-CD1 3.95Å; L465-I469 WeakPolarHBondContact O-CB 3.49Å; L465-I469 WeakPolarHBondContact O-CG1 3.04Å; L465-I469 PolarHBondContact O-N 2.91Å; H466-I469 PolarHBondContact O-N 2.94Å; I469-D473 HydrophobicContact CG2-CB 3.64Å; I469-F474 HydrophobicContact CB-CB 4.4Å; I469-F474 HydrophobicContact CD1-CD2 4.18Å; I469-F474 HydrophobicContact CG2-CB 3.98Å; I469-L499 HydrophobicContact CD1-CB 4Å; I469-L499 HydrophobicContact CD1-CD1 4.38Å; I469-L499 HydrophobicContact CD1-CD2 4.06Å; I469-L499 HydrophobicContact CD1-CG 4.39Å; I469-K505 PolarHBondContact O-NZ 3.21Å; I469-I507 HydrophobicContact CD1-CD1 3.74Å; I469-I507 HydrophobicContact CD1-CG1 3.97Å; I469-I507 HydrophobicContact CG1-CD1 3.66Å; I469-I507 HydrophobicContact CG1-CG1 4.39Å
470	G	97.8	Very high	98.3	Very high	32 Å²	32	35.2 Å²	35.2	33%	0.33	18%	0.177	S	C	.	.			trans	100	145.3	-166.1	0	0	0	0	0	111.8	H466 E472 F474	H466-G470 WeakPolarHBondContact O-CA 3.29Å; H466-G470 PolarHBondContact O-N 3.13Å; G470-E472 PolarHBondContact O-N 2.69Å; G470-F474 VanDerWaalsContact O-CB 3.31Å; G470-F474 WeakPolarHBondContact O-CB 3.48Å; G470-F474 PolarHBondContact O-N 3.13Å
471	D	97.3	Very high	98.3	Very high	63 Å²	63	35.4 Å²	35.4	34%	0.337	18%	0.178	S	C	.	.	H	α-helix	trans	-56	-45.5	-169.2	-170	67	0	0	0	114.1	Y312 H466 F474 R475	Y312-D471 PolarHBondContact OH-OD1 3.25Å; H466-D471 IonicContact CE1-OD1 3.16Å; H466-D471 IonicContact NE2-OD1 3.09Å; H466-D471 PolarHBondContact NE2-OD1 2.57Å; D471-F474 PolarHBondContact O-N 3.44Å; D471-R475 WeakPolarHBondContact O-CB 3.5Å; D471-R475 VanDerWaalsContact O-CG 3.28Å; D471-R475 WeakPolarHBondContact O-CG 3.43Å; D471-R475 PolarHBondContact O-N 2.91Å; D471-R475 WeakPolarHBondContact OD2-CD 3.39Å; D471-R475 IonicContact OD2-CZ 2.73Å; D471-R475 IonicContact OD2-NE 2.71Å; D471-R475 IonicContact OD2-NH1 3.26Å; D471-R475 PolarHBondContact OD2-NH1 2.9Å; D471-R475 VanDerWaalsContact OD2-NH1 3.12Å
472	E	98.1	Very high	98.3	Very high	164 Å²	164	35.4 Å²	35.4	77%	0.766	18%	0.178	S	C	*	.	H	α-helix	trans	-61.4	-54	-175.4	-174.2	177.8	170.4	0	0	112.3	G470 F474 R475 K476	G470-E472 PolarHBondContact O-N 2.69Å; E472-F474 VanDerWaalsContact C-N 3.34Å; E472-F474 PolarHBondContact O-N 3.43Å; E472-R475 PolarHBondContact O-N 2.81Å; E472-K476 WeakPolarHBondContact O-CB 3.38Å; E472-K476 PolarHBondContact O-N 3.41Å
473	D	98.5	Very high	98.3	Very high	45 Å²	45	39.2 Å²	39.2	24%	0.241	20%	0.198	C	C	.	.	H	α-helix	trans	-70	-31.4	179	-78.9	-35.3	0	0	0	112.5	I469 K476 G477 A502	I469-D473 HydrophobicContact CG2-CB 3.64Å; D473-K476 IonicContact OD1-NZ 2.9Å; D473-K476 PolarHBondContact OD1-NZ 3.34Å; D473-G477 PolarHBondContact O-N 2.89Å; D473-A502 WeakPolarHBondContact O-CB 3.35Å
474	F	98.6	Very high	98.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-52.3	174.4	-174.1	-84	0	0	0	110.5	F394 W397 I462 L465 H466 I469 G470 D471 E472 K476 G477 M478 L499	F394-F474 HydrophobicContact CE1-CZ 4.05Å; W397-F474 HydrophobicContact CH2-CD1 4.21Å; W397-F474 AromaticContact CH2-CE1 3.48Å; W397-F474 HydrophobicContact CH2-CE1 3.48Å; W397-F474 VanDerWaalsContact CH2-CE1 3.48Å; W397-F474 AromaticContact CH2-CZ 3.88Å; W397-F474 HydrophobicContact CH2-CZ 3.88Å; W397-F474 HydrophobicContact CZ2-CE1 4.49Å; W397-F474 AromaticContact CZ3-CE1 3.6Å; W397-F474 HydrophobicContact CZ3-CE1 3.6Å; W397-F474 AromaticContact CZ3-CZ 3.88Å; W397-F474 HydrophobicContact CZ3-CZ 3.88Å; I462-F474 HydrophobicContact CG2-CE2 4.44Å; I462-F474 HydrophobicContact CG2-CZ 4Å; L465-F474 HydrophobicContact CD2-CE2 4.48Å; L465-F474 HydrophobicContact CG-CE2 4.38Å; H466-F474 HydrophobicContact CB-CD2 4.05Å; H466-F474 HydrophobicContact CB-CE2 4.08Å; H466-F474 HydrophobicContact CB-CG 4.44Å; H466-F474 HydrophobicContact CB-CZ 4.49Å; H466-F474 AromaticContact CD2-CD1 3.65Å; H466-F474 AromaticContact CD2-CG 3.66Å; I469-F474 HydrophobicContact CB-CB 4.4Å; I469-F474 HydrophobicContact CD1-CD2 4.18Å; I469-F474 HydrophobicContact CG2-CB 3.98Å; G470-F474 VanDerWaalsContact O-CB 3.31Å; G470-F474 WeakPolarHBondContact O-CB 3.48Å; G470-F474 PolarHBondContact O-N 3.13Å; D471-F474 PolarHBondContact O-N 3.44Å; E472-F474 VanDerWaalsContact C-N 3.34Å; E472-F474 PolarHBondContact O-N 3.43Å; F474-K476 VanDerWaalsContact C-N 3.33Å; F474-K476 PolarHBondContact O-N 3.3Å; F474-G477 PolarHBondContact O-N 3.28Å; F474-G477 VanDerWaalsContact O-N 3.13Å; F474-M478 HydrophobicContact CD1-CG 3.7Å; F474-M478 HydrophobicContact CE1-CG 3.42Å; F474-M478 VanDerWaalsContact CE1-CG 3.42Å; F474-M478 HydrophobicContact CE1-SD 4.1Å; F474-M478 HydrophobicContact CZ-CG 4.04Å; F474-M478 HydrophobicContact CZ-SD 4.1Å; F474-M478 WeakPolarHBondContact O-CG 3.25Å; F474-M478 PolarHBondContact O-N 3.31Å; F474-L499 HydrophobicContact CD2-CD2 4.06Å; F474-L499 HydrophobicContact CE2-CD1 4.5Å; F474-L499 HydrophobicContact CE2-CD2 4.41Å; F474-L499 HydrophobicContact CG-CD2 4.4Å
475	R	98.3	Very high	98.3	Very high	82 Å²	82	42.8 Å²	42.8	31%	0.309	21%	0.214	S	C	.	.	H	α-helix	trans	-62.1	-39.4	179.2	-71.3	168.4	69.5	-177.4	-0.3	112.5	D311 Y312 D471 E472 M478 N479	D311-R475 PolarHBondContact O-NH2 3.21Å; Y312-R475 HydrophobicContact CD1-CG 4.32Å; Y312-R475 HydrophobicContact CD2-CG 4.3Å; Y312-R475 HydrophobicContact CE1-CG 3.81Å; Y312-R475 VanDerWaalsContact CE2-CD 3.41Å; Y312-R475 HydrophobicContact CE2-CG 3.77Å; Y312-R475 VanDerWaalsContact CZ-CG 3.49Å; Y312-R475 PolarHBondContact O-NE 2.94Å; D471-R475 WeakPolarHBondContact O-CB 3.5Å; D471-R475 VanDerWaalsContact O-CG 3.28Å; D471-R475 WeakPolarHBondContact O-CG 3.43Å; D471-R475 PolarHBondContact O-N 2.91Å; D471-R475 WeakPolarHBondContact OD2-CD 3.39Å; D471-R475 IonicContact OD2-CZ 2.73Å; D471-R475 IonicContact OD2-NE 2.71Å; D471-R475 IonicContact OD2-NH1 3.26Å; D471-R475 PolarHBondContact OD2-NH1 2.9Å; D471-R475 VanDerWaalsContact OD2-NH1 3.12Å; E472-R475 PolarHBondContact O-N 2.81Å; R475-M478 PolarHBondContact O-N 3.03Å; R475-N479 VanDerWaalsContact O-CB 3.32Å; R475-N479 WeakPolarHBondContact O-CB 3.47Å; R475-N479 PolarHBondContact O-N 2.92Å
476	K	98.5	Very high	98.3	Very high	101 Å²	101	46.4 Å²	46.4	44%	0.439	23%	0.231	S	C	.	.	H	α-helix	trans	-59.8	-42.2	172.7	173	178.7	137.8	-153.3	0	112.3	E472 D473 F474 S480 A502	E472-K476 WeakPolarHBondContact O-CB 3.38Å; E472-K476 PolarHBondContact O-N 3.41Å; D473-K476 IonicContact OD1-NZ 2.9Å; D473-K476 PolarHBondContact OD1-NZ 3.34Å; F474-K476 VanDerWaalsContact C-N 3.33Å; F474-K476 PolarHBondContact O-N 3.3Å; K476-S480 WeakPolarHBondContact O-CB 3.5Å; K476-S480 PolarHBondContact O-N 2.54Å; K476-S480 VanDerWaalsContact O-N 3.14Å; K476-S480 PolarHBondContact O-OG 2.85Å; K476-A502 HydrophobicContact CB-CB 4.48Å; K476-A502 HydrophobicContact CD-CB 4.49Å; K476-A502 WeakPolarHBondContact CE-O 3.3Å; K476-A502 HydrophobicContact CG-CB 4.13Å; K476-A502 PolarHBondContact NZ-O 3.12Å
477	G	98.5	Very high	98.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69.7	-42.6	174.3	0	0	0	0	0	113.1	D473 F474 S480 Y481	D473-G477 PolarHBondContact O-N 2.89Å; F474-G477 PolarHBondContact O-N 3.28Å; F474-G477 VanDerWaalsContact O-N 3.13Å; G477-S480 WeakPolarHBondContact O-CB 3.44Å; G477-S480 PolarHBondContact O-N 3.43Å; G477-Y481 PolarHBondContact O-N 3.08Å
478	M	98.3	Very high	98.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-40.4	176.4	-64.8	-46.4	-59.6	0	0	112.5	F313 F376 F394 F474 R475 S480 Y481 L482 L495 L499	F313-M478 HydrophobicContact CD1-CB 3.98Å; F313-M478 HydrophobicContact CE1-CB 4.11Å; F313-M478 HydrophobicContact CE1-CG 4.39Å; F376-M478 HydrophobicContact CE1-CE 3.45Å; F376-M478 VanDerWaalsContact CE1-CE 3.45Å; F376-M478 HydrophobicContact CZ-CE 3.83Å; F394-M478 HydrophobicContact CD1-CE 3.94Å; F394-M478 HydrophobicContact CE1-CE 3.34Å; F394-M478 HydrophobicContact CE1-SD 3.75Å; F394-M478 HydrophobicContact CZ-CE 3.81Å; F394-M478 HydrophobicContact CZ-SD 4.06Å; F474-M478 HydrophobicContact CD1-CG 3.7Å; F474-M478 HydrophobicContact CE1-CG 3.42Å; F474-M478 VanDerWaalsContact CE1-CG 3.42Å; F474-M478 HydrophobicContact CE1-SD 4.1Å; F474-M478 HydrophobicContact CZ-CG 4.04Å; F474-M478 HydrophobicContact CZ-SD 4.1Å; F474-M478 WeakPolarHBondContact O-CG 3.25Å; F474-M478 PolarHBondContact O-N 3.31Å; R475-M478 PolarHBondContact O-N 3.03Å; M478-S480 VanDerWaalsContact C-N 3.34Å; M478-S480 PolarHBondContact O-N 3.28Å; M478-Y481 HydrophobicContact CE-CD1 4.09Å; M478-Y481 PolarHBondContact O-N 3.04Å; M478-L482 WeakPolarHBondContact O-CB 3.34Å; M478-L482 VanDerWaalsContact O-CG 3.29Å; M478-L482 WeakPolarHBondContact O-CG 3.38Å; M478-L482 PolarHBondContact O-N 2.93Å; M478-L495 HydrophobicContact CE-CD1 3.83Å; M478-L495 HydrophobicContact SD-CD1 3.67Å; M478-L499 HydrophobicContact CG-CD2 4.46Å; M478-L499 HydrophobicContact SD-CD1 4.37Å; M478-L499 HydrophobicContact SD-CD2 4Å; M478-L499 HydrophobicContact SD-CG 4.43Å
479	N	98.6	Very high	98.3	Very high	38 Å²	38	50.1 Å²	50.1	20%	0.203	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-45.1	171.8	178.8	-103.5	0	0	0	111.4	F313 S314 R475 Y481 L482 L483	F313-N479 WeakPolarHBondContact O-CB 3.34Å; F313-N479 PolarHBondContact O-ND2 3Å; S314-N479 PolarHBondContact O-ND2 3.32Å; R475-N479 VanDerWaalsContact O-CB 3.32Å; R475-N479 WeakPolarHBondContact O-CB 3.47Å; R475-N479 PolarHBondContact O-N 2.92Å; N479-Y481 PolarHBondContact O-N 2.75Å; N479-L482 PolarHBondContact O-N 3.3Å; N479-L483 WeakPolarHBondContact O-CB 3.28Å; N479-L483 VanDerWaalsContact O-CG 3.31Å; N479-L483 WeakPolarHBondContact O-CG 3.36Å; N479-L483 PolarHBondContact O-N 3.33Å; N479-L483 WeakPolarHBondContact OD1-CD1 3.43Å
480	S	98.6	Very high	98.2	Very high	50 Å²	50	49.9 Å²	49.9	35%	0.35	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-43.3	177.2	-57.3	0	0	0	0	112.1	K476 G477 M478 K484	K476-S480 WeakPolarHBondContact O-CB 3.5Å; K476-S480 PolarHBondContact O-N 2.54Å; K476-S480 VanDerWaalsContact O-N 3.14Å; K476-S480 PolarHBondContact O-OG 2.85Å; G477-S480 WeakPolarHBondContact O-CB 3.44Å; G477-S480 PolarHBondContact O-N 3.43Å; M478-S480 VanDerWaalsContact C-N 3.34Å; M478-S480 PolarHBondContact O-N 3.28Å; S480-K484 WeakPolarHBondContact O-CB 3.3Å; S480-K484 PolarHBondContact O-N 2.85Å
481	Y	98.7	Very high	98.2	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-60.2	-55.3	174.4	172	-101.1	0	0	0	111.5	F376 V380 G477 M478 N479 L483 K484 F485 A490 L495	F376-Y481 HydrophobicContact CE1-CE1 4.43Å; V380-Y481 HydrophobicContact CB-CE1 4.28Å; V380-Y481 HydrophobicContact CG1-CE1 3.9Å; V380-Y481 WeakPolarHBondContact CG1-OH 3.42Å; G477-Y481 PolarHBondContact O-N 3.08Å; M478-Y481 HydrophobicContact CE-CD1 4.09Å; M478-Y481 PolarHBondContact O-N 3.04Å; N479-Y481 PolarHBondContact O-N 2.75Å; Y481-L483 VanDerWaalsContact C-N 3.33Å; Y481-L483 PolarHBondContact O-N 3.42Å; Y481-K484 PolarHBondContact O-N 3.01Å; Y481-K484 VanDerWaalsContact O-N 3.14Å; Y481-F485 AromaticContact CD2-CD2 3.59Å; Y481-F485 HydrophobicContact CD2-CD2 3.59Å; Y481-F485 AromaticContact CD2-CE2 3.89Å; Y481-F485 HydrophobicContact CD2-CE2 3.89Å; Y481-F485 AromaticContact CE2-CD2 3.83Å; Y481-F485 HydrophobicContact CE2-CD2 3.83Å; Y481-F485 HydrophobicContact CE2-CE2 4.21Å; Y481-F485 HydrophobicContact CG-CD2 4.26Å; Y481-F485 VanDerWaalsContact O-CD2 3.28Å; Y481-F485 WeakPolarHBondContact O-CD2 3.46Å; Y481-F485 PolarHBondContact O-N 3.34Å; Y481-A490 HydrophobicContact CE2-CB 3.81Å; Y481-L495 HydrophobicContact CD1-CD1 4.38Å; Y481-L495 HydrophobicContact CD2-CB 4.12Å; Y481-L495 HydrophobicContact CD2-CD1 4.13Å; Y481-L495 HydrophobicContact CE2-CB 3.91Å; Y481-L495 HydrophobicContact CE2-CD1 4.37Å; Y481-L495 HydrophobicContact CG-CD1 4.14Å
482	L	98.6	Very high	98.2	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-42.2	-179	-69.5	167.5	0	0	0	111.9	F313 V315 W375 F376 V380 M478 N479 Q486	F313-L482 HydrophobicContact CB-CD1 3.75Å; F313-L482 HydrophobicContact CD1-CD1 3.86Å; F313-L482 HydrophobicContact CD2-CD1 4.48Å; F313-L482 HydrophobicContact CG-CD1 3.78Å; V315-L482 HydrophobicContact CG2-CB 4.04Å; V315-L482 HydrophobicContact CG2-CD1 4.41Å; W375-L482 HydrophobicContact CB-CD2 4.08Å; F376-L482 HydrophobicContact CE1-CD2 4.01Å; F376-L482 HydrophobicContact CZ-CD1 4.21Å; F376-L482 HydrophobicContact CZ-CD2 4.29Å; V380-L482 HydrophobicContact CG2-CD2 3.88Å; M478-L482 WeakPolarHBondContact O-CB 3.34Å; M478-L482 VanDerWaalsContact O-CG 3.29Å; M478-L482 WeakPolarHBondContact O-CG 3.38Å; M478-L482 PolarHBondContact O-N 2.93Å; N479-L482 PolarHBondContact O-N 3.3Å; L482-Q486 WeakPolarHBondContact O-CB 3.12Å; L482-Q486 PolarHBondContact O-N 2.99Å
483	L	98.4	Very high	98.1	Very high	81 Å²	81	42.5 Å²	42.5	42%	0.424	20%	0.204	S	C	.	.	H	α-helix	trans	-71.5	-30.1	177.7	-68.7	176.6	0	0	0	113.7	V315 N479 Y481 Q486	V315-L483 HydrophobicContact CG2-CD2 4.03Å; V315-L483 HydrophobicContact CG2-CG 4.15Å; N479-L483 WeakPolarHBondContact O-CB 3.28Å; N479-L483 VanDerWaalsContact O-CG 3.31Å; N479-L483 WeakPolarHBondContact O-CG 3.36Å; N479-L483 PolarHBondContact O-N 3.33Å; N479-L483 WeakPolarHBondContact OD1-CD1 3.43Å; Y481-L483 VanDerWaalsContact C-N 3.33Å; Y481-L483 PolarHBondContact O-N 3.42Å; L483-Q486 PolarHBondContact O-NE2 3.43Å
484	K	98.4	Very high	98.1	Very high	87 Å²	87	42.3 Å²	42.3	38%	0.378	20%	0.204	S	C	.	.	H	α-helix	trans	-71.8	-38.6	175.6	-179	-179.7	167.2	-151.3	0	111.5	S480 Y481 K488 D494	S480-K484 WeakPolarHBondContact O-CB 3.3Å; S480-K484 PolarHBondContact O-N 2.85Å; Y481-K484 PolarHBondContact O-N 3.01Å; Y481-K484 VanDerWaalsContact O-N 3.14Å; K484-K488 PolarHBondContact O-NZ 2.8Å; K484-D494 IonicContact NZ-OD1 3.75Å; K484-D494 PolarHBondContact NZ-OD1 3.23Å
485	F	98.4	Very high	98.1	Very high	17 Å²	17	42.3 Å²	42.3	8%	0.075	20%	0.204	C	C	.	.	H	α-helix	trans	-110.7	-1.6	-170.5	-64.1	-71.5	0	0	0	116.7	V380 Y481 H487 K488 N489 A490 D494	V380-F485 HydrophobicContact CB-CB 4.29Å; V380-F485 HydrophobicContact CG1-CB 3.56Å; V380-F485 HydrophobicContact CG1-CG 4.45Å; V380-F485 HydrophobicContact CG2-CB 3.74Å; Y481-F485 AromaticContact CD2-CD2 3.59Å; Y481-F485 HydrophobicContact CD2-CD2 3.59Å; Y481-F485 AromaticContact CD2-CE2 3.89Å; Y481-F485 HydrophobicContact CD2-CE2 3.89Å; Y481-F485 AromaticContact CE2-CD2 3.83Å; Y481-F485 HydrophobicContact CE2-CD2 3.83Å; Y481-F485 HydrophobicContact CE2-CE2 4.21Å; Y481-F485 HydrophobicContact CG-CD2 4.26Å; Y481-F485 VanDerWaalsContact O-CD2 3.28Å; Y481-F485 WeakPolarHBondContact O-CD2 3.46Å; Y481-F485 PolarHBondContact O-N 3.34Å; F485-H487 PolarHBondContact O-N 2.99Å; F485-K488 WeakPolarHBondContact O-CA 3.47Å; F485-K488 VanDerWaalsContact O-CB 3.3Å; F485-K488 WeakPolarHBondContact O-CB 3.37Å; F485-K488 PolarHBondContact O-N 3.5Å; F485-N489 WeakPolarHBondContact CD1-O 3.38Å; F485-A490 HydrophobicContact CD1-CB 4.01Å; F485-A490 HydrophobicContact CD2-CB 4.23Å; F485-A490 HydrophobicContact CE1-CB 4.31Å; F485-A490 HydrophobicContact CG-CB 3.98Å; F485-D494 HydrophobicContact CE1-CB 4.22Å; F485-D494 HydrophobicContact CE2-CB 3.64Å; F485-D494 HydrophobicContact CZ-CB 3.45Å; F485-D494 VanDerWaalsContact CZ-CB 3.45Å; F485-D494 WeakPolarHBondContact CZ-OD1 3.37Å
486	Q	97.9	Very high	98.1	Very high	77 Å²	77	38.6 Å²	38.6	36%	0.36	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.6	130	173.9	57	-172.8	-43.7	0	0	112.7	L379 L482 L483 K488	L379-Q486 HydrophobicContact CD1-CB 3.8Å; L379-Q486 HydrophobicContact CD2-CB 4.38Å; L379-Q486 HydrophobicContact CG-CB 3.96Å; L482-Q486 WeakPolarHBondContact O-CB 3.12Å; L482-Q486 PolarHBondContact O-N 2.99Å; L483-Q486 PolarHBondContact O-NE2 3.43Å; Q486-K488 PolarHBondContact O-N 3.42Å
487	H	97.6	Very high	98.1	Very high	58 Å²	58	38.3 Å²	38.3	27%	0.269	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	19.6	-175.3	-55.9	-65	0	0	0	115.5	I257 W338 L379 F485	I257-H487 HydrophobicContact CB-CB 4.2Å; I257-H487 WeakPolarHBondContact CG2-O 3.49Å; I257-H487 PolarHBondContact O-ND1 2.85Å; W338-H487 AromaticContact CH2-CE1 3.65Å; W338-H487 AromaticContact CH2-ND1 3.73Å; L379-H487 PolarHBondContact O-N 2.67Å; F485-H487 PolarHBondContact O-N 2.99Å
488	K	97.9	Very high	98.1	Very high	115 Å²	115	38.6 Å²	38.6	50%	0.5	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	-165.7	177	-49.4	172.1	-162.3	157.5	0	110.2	K214 T381 K484 F485 Q486	K214-K488 WeakPolarHBondContact CE-O 3.42Å; K214-K488 PolarHBondContact NZ-O 3.09Å; T381-K488 PolarHBondContact N-O 3.1Å; K484-K488 PolarHBondContact O-NZ 2.8Å; F485-K488 WeakPolarHBondContact O-CA 3.47Å; F485-K488 VanDerWaalsContact O-CB 3.3Å; F485-K488 WeakPolarHBondContact O-CB 3.37Å; F485-K488 PolarHBondContact O-N 3.5Å; Q486-K488 PolarHBondContact O-N 3.42Å
489	N	98.3	Very high	98.1	Very high	31 Å²	31	38.6 Å²	38.6	17%	0.166	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	162.6	174.7	-56.8	67.8	0	0	0	110.2	P211 A212 K214 T381 M382 E383 F485	P211-N489 VanDerWaalsContact C-ND2 3.34Å; P211-N489 PolarHBondContact O-ND2 3.3Å; A212-N489 WeakPolarHBondContact CA-ND2 3.45Å; K214-N489 WeakPolarHBondContact CE-OD1 3.34Å; T381-N489 CarbonylContact O-C 3.6Å; T381-N489 WeakPolarHBondContact O-CA 3.34Å; T381-N489 WeakPolarHBondContact O-CB 3.31Å; M382-N489 PolarHBondContact O-ND2 3.43Å; E383-N489 HydrophobicContact CB-CB 4.38Å; F485-N489 WeakPolarHBondContact CD1-O 3.38Å
490	A	97.7	Very high	98.1	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.017	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	160.7	-179.9	0	0	0	0	0	111.9	V380 T381 E383 Y481 F485 D494	V380-A490 HydrophobicContact CG1-CB 4.06Å; T381-A490 PolarHBondContact O-N 3.02Å; E383-A490 PolarHBondContact N-O 2.88Å; Y481-A490 HydrophobicContact CE2-CB 3.81Å; F485-A490 HydrophobicContact CD1-CB 4.01Å; F485-A490 HydrophobicContact CD2-CB 4.23Å; F485-A490 HydrophobicContact CE1-CB 4.31Å; F485-A490 HydrophobicContact CG-CB 3.98Å; A490-D494 HydrophobicContact CB-CB 3.99Å
491	S	97.1	Very high	98.1	Very high	26 Å²	26	45.8 Å²	45.8	18%	0.182	22%	0.222	C	C	.	.			trans	-102.3	177.6	165.9	83.2	0	0	0	0	112.2	E493 D494	S491-E493 VanDerWaalsContact C-N 3.28Å; S491-E493 WeakPolarHBondContact CB-OE2 3.39Å; S491-E493 PolarHBondContact O-N 3.02Å; S491-E493 PolarHBondContact OG-N 3.36Å; S491-E493 PolarHBondContact OG-OE2 2.9Å; S491-D494 PolarHBondContact N-OD2 2.7Å; S491-D494 PolarHBondContact O-N 3.15Å
492	T	96.7	Very high	98.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.9	-39.6	173.2	-59.8	0	0	0	0	112.4	H387 W389 E437 D494 L495 W496	H387-T492 PolarHBondContact ND1-N 3.33Å; H387-T492 PolarHBondContact ND1-OG1 2.97Å; W389-T492 HydrophobicContact CZ2-CG2 3.92Å; W389-T492 PolarHBondContact NE1-OG1 3.31Å; E437-T492 WeakPolarHBondContact OE2-CB 3.01Å; E437-T492 WeakPolarHBondContact OE2-CG2 3.31Å; E437-T492 PolarHBondContact OE2-OG1 3.43Å; T492-D494 PolarHBondContact O-N 2.94Å; T492-L495 PolarHBondContact O-N 2.85Å; T492-W496 HydrophobicContact CG2-CD2 4.47Å; T492-W496 HydrophobicContact CG2-CZ2 3.82Å; T492-W496 PolarHBondContact O-N 2.91Å
493	E	97.4	Very high	98.1	Very high	77 Å²	77	46.8 Å²	46.8	36%	0.36	23%	0.23	S	C	.	.	H	α-helix	trans	-63.9	-39.1	179.9	-65.8	72	-160.5	0	0	112.2	S491 L495 W496 D497 K516	S491-E493 VanDerWaalsContact C-N 3.28Å; S491-E493 WeakPolarHBondContact CB-OE2 3.39Å; S491-E493 PolarHBondContact O-N 3.02Å; S491-E493 PolarHBondContact OG-N 3.36Å; S491-E493 PolarHBondContact OG-OE2 2.9Å; E493-L495 PolarHBondContact O-N 3.24Å; E493-W496 PolarHBondContact O-N 3.49Å; E493-D497 PolarHBondContact O-N 2.89Å; E493-K516 IonicContact OE1-NZ 3.52Å; E493-K516 PolarHBondContact OE1-NZ 3.5Å
494	D	98.3	Very high	98	Very high	42 Å²	42	46.5 Å²	46.5	23%	0.225	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-30.9	-179.9	-84.8	-43.7	0	0	0	113.2	K484 F485 A490 S491 T492 C498	K484-D494 IonicContact NZ-OD1 3.75Å; K484-D494 PolarHBondContact NZ-OD1 3.23Å; F485-D494 HydrophobicContact CE1-CB 4.22Å; F485-D494 HydrophobicContact CE2-CB 3.64Å; F485-D494 HydrophobicContact CZ-CB 3.45Å; F485-D494 VanDerWaalsContact CZ-CB 3.45Å; F485-D494 WeakPolarHBondContact CZ-OD1 3.37Å; A490-D494 HydrophobicContact CB-CB 3.99Å; S491-D494 PolarHBondContact N-OD2 2.7Å; S491-D494 PolarHBondContact O-N 3.15Å; T492-D494 PolarHBondContact O-N 2.94Å; D494-C498 PolarHBondContact O-SG 3.06Å
495	L	98.1	Very high	98	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-74.3	-45.3	172.2	173.4	66.8	0	0	0	111.4	W389 L390 F394 M478 Y481 T492 E493 C498 L499	W389-L495 HydrophobicContact CH2-CD2 3.89Å; W389-L495 HydrophobicContact CZ2-CD2 4.36Å; L390-L495 HydrophobicContact CD2-CB 4.39Å; L390-L495 HydrophobicContact CD2-CD2 3.66Å; F394-L495 HydrophobicContact CE2-CD2 3.52Å; F394-L495 HydrophobicContact CZ-CD1 4.12Å; F394-L495 HydrophobicContact CZ-CD2 3.66Å; M478-L495 HydrophobicContact CE-CD1 3.83Å; M478-L495 HydrophobicContact SD-CD1 3.67Å; Y481-L495 HydrophobicContact CD1-CD1 4.38Å; Y481-L495 HydrophobicContact CD2-CB 4.12Å; Y481-L495 HydrophobicContact CD2-CD1 4.13Å; Y481-L495 HydrophobicContact CE2-CB 3.91Å; Y481-L495 HydrophobicContact CE2-CD1 4.37Å; Y481-L495 HydrophobicContact CG-CD1 4.14Å; T492-L495 PolarHBondContact O-N 2.85Å; E493-L495 PolarHBondContact O-N 3.24Å; L495-C498 PolarHBondContact O-N 2.87Å; L495-L499 HydrophobicContact CD1-CD1 3.89Å; L495-L499 HydrophobicContact CD1-CG 4.26Å; L495-L499 HydrophobicContact CG-CD1 4.01Å; L495-L499 PolarHBondContact O-N 3.48Å
496	W	98.1	Very high	97.9	Very high	3 Å²	3	47.2 Å²	47.2	1%	0.011	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-44.1	179.2	-61.7	158.8	0	0	0	112.4	W389 L465 T492 E493 C498 L499 E500 I507 A508 M511 T515	W389-W496 AromaticContact CH2-CH2 3.4Å; W389-W496 HydrophobicContact CH2-CH2 3.4Å; W389-W496 AromaticContact CH2-CZ2 3.81Å; W389-W496 HydrophobicContact CH2-CZ2 3.81Å; W389-W496 HydrophobicContact CH2-CZ3 4.21Å; W389-W496 AromaticContact CZ2-CH2 3.94Å; W389-W496 HydrophobicContact CZ2-CH2 3.94Å; W389-W496 AromaticContact CZ2-CZ2 3.87Å; W389-W496 HydrophobicContact CZ2-CZ2 3.87Å; W389-W496 HydrophobicContact CZ3-CH2 4.42Å; L465-W496 HydrophobicContact CD2-CE3 4.41Å; L465-W496 HydrophobicContact CD2-CH2 4.1Å; L465-W496 HydrophobicContact CD2-CZ3 3.51Å; T492-W496 HydrophobicContact CG2-CD2 4.47Å; T492-W496 HydrophobicContact CG2-CZ2 3.82Å; T492-W496 PolarHBondContact O-N 2.91Å; E493-W496 PolarHBondContact O-N 3.49Å; W496-C498 VanDerWaalsContact C-N 3.26Å; W496-C498 PolarHBondContact O-N 3.21Å; W496-L499 HydrophobicContact CE3-CD1 4.14Å; W496-L499 HydrophobicContact CZ3-CD1 4.13Å; W496-L499 PolarHBondContact O-N 3.2Å; W496-E500 WeakPolarHBondContact O-CB 3.34Å; W496-E500 PolarHBondContact O-N 2.94Å; W496-I507 HydrophobicContact CD2-CG2 4.3Å; W496-I507 HydrophobicContact CE3-CG2 3.82Å; W496-I507 HydrophobicContact CZ3-CG2 4.4Å; W496-A508 HydrophobicContact CB-CB 4.01Å; W496-M511 HydrophobicContact CD2-CB 4.01Å; W496-M511 HydrophobicContact CD2-CG 4.45Å; W496-M511 VanDerWaalsContact CE2-CB 3.46Å; W496-M511 HydrophobicContact CE3-CB 4.31Å; W496-M511 HydrophobicContact CE3-CG 4.26Å; W496-M511 HydrophobicContact CH2-CB 3.62Å; W496-M511 HydrophobicContact CH2-CG 3.68Å; W496-M511 HydrophobicContact CH2-SD 4.15Å; W496-M511 HydrophobicContact CZ2-CB 3.29Å; W496-M511 HydrophobicContact CZ2-CG 3.92Å; W496-M511 HydrophobicContact CZ3-CB 4.14Å; W496-M511 HydrophobicContact CZ3-CG 3.89Å; W496-T515 HydrophobicContact CZ2-CG2 3.84Å
497	D	98.5	Very high	98	Very high	96 Å²	96	43.6 Å²	43.6	51%	0.513	24%	0.238	S	C	.	.	H	α-helix	trans	-53.1	-44.3	173.9	-85.4	4.9	0	0	0	111.8	E493 Q501	E493-D497 PolarHBondContact O-N 2.89Å; D497-Q501 WeakPolarHBondContact O-CB 3.24Å; D497-Q501 PolarHBondContact O-N 2.99Å
498	C	98.6	Very high	98	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.034	24%	0.237	C	C	.	.	H	α-helix	trans	-71.9	-38.8	-177.2	-62.2	0	0	0	0	112.4	D494 L495 W496 A502	D494-C498 PolarHBondContact O-SG 3.06Å; L495-C498 PolarHBondContact O-N 2.87Å; W496-C498 VanDerWaalsContact C-N 3.26Å; W496-C498 PolarHBondContact O-N 3.21Å; C498-A502 VanDerWaalsContact O-CB 3.31Å; C498-A502 WeakPolarHBondContact O-CB 3.4Å; C498-A502 PolarHBondContact O-N 2.83Å; C498-A502 VanDerWaalsContact O-N 3.11Å
499	L	98.6	Very high	97.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-75.8	-35.3	177.7	-71.3	174.1	0	0	0	112.5	L465 I469 F474 M478 L495 W496 S503 I507	L465-L499 HydrophobicContact CD2-CD1 3.81Å; I469-L499 HydrophobicContact CD1-CB 4Å; I469-L499 HydrophobicContact CD1-CD1 4.38Å; I469-L499 HydrophobicContact CD1-CD2 4.06Å; I469-L499 HydrophobicContact CD1-CG 4.39Å; F474-L499 HydrophobicContact CD2-CD2 4.06Å; F474-L499 HydrophobicContact CE2-CD1 4.5Å; F474-L499 HydrophobicContact CE2-CD2 4.41Å; F474-L499 HydrophobicContact CG-CD2 4.4Å; M478-L499 HydrophobicContact CG-CD2 4.46Å; M478-L499 HydrophobicContact SD-CD1 4.37Å; M478-L499 HydrophobicContact SD-CD2 4Å; M478-L499 HydrophobicContact SD-CG 4.43Å; L495-L499 HydrophobicContact CD1-CD1 3.89Å; L495-L499 HydrophobicContact CD1-CG 4.26Å; L495-L499 HydrophobicContact CG-CD1 4.01Å; L495-L499 PolarHBondContact O-N 3.48Å; W496-L499 HydrophobicContact CE3-CD1 4.14Å; W496-L499 HydrophobicContact CZ3-CD1 4.13Å; W496-L499 PolarHBondContact O-N 3.2Å; L499-S503 VanDerWaalsContact O-CB 3.3Å; L499-S503 WeakPolarHBondContact O-CB 3.36Å; L499-S503 PolarHBondContact O-N 3.29Å; L499-S503 PolarHBondContact O-OG 2.84Å; L499-I507 HydrophobicContact CB-CG1 4.3Å; L499-I507 HydrophobicContact CB-CG2 4.11Å
500	E	98.5	Very high	97.9	Very high	72 Å²	72	37.9 Å²	37.9	34%	0.336	23%	0.226	S	C	.	.	H	α-helix	trans	-66.7	-48.5	173.7	-176.7	144.1	147.1	0	0	110.9	W496 A502 S503 G504 K505 P506 I507 A508	W496-E500 WeakPolarHBondContact O-CB 3.34Å; W496-E500 PolarHBondContact O-N 2.94Å; E500-A502 VanDerWaalsContact C-N 3.29Å; E500-A502 PolarHBondContact O-N 3.27Å; E500-S503 PolarHBondContact O-N 2.95Å; E500-G504 PolarHBondContact O-N 3.05Å; E500-K505 WeakPolarHBondContact CG-O 3.44Å; E500-P506 WeakPolarHBondContact OE2-CA 3.41Å; E500-I507 HydrophobicContact CB-CB 4.19Å; E500-I507 HydrophobicContact CB-CG1 4.36Å; E500-I507 PolarHBondContact OE2-N 3.34Å; E500-A508 PolarHBondContact OE2-N 3.04Å
501	Q	98.4	Very high	97.9	Very high	168 Å²	168	37.8 Å²	37.8	79%	0.785	23%	0.226	S	C	*	.	H	α-helix	trans	-61.2	-36.2	175.7	-174	179.2	14.9	0	0	112.5	D497	D497-Q501 WeakPolarHBondContact O-CB 3.24Å; D497-Q501 PolarHBondContact O-N 2.99Å
502	A	98.3	Very high	97.9	Very high	10 Å²	10	38.4 Å²	38.4	8%	0.083	23%	0.23	C	C	.	.	H	α-helix	trans	-70.4	-47.2	177.6	0	0	0	0	0	112.3	D473 K476 C498 E500	D473-A502 WeakPolarHBondContact O-CB 3.35Å; K476-A502 HydrophobicContact CB-CB 4.48Å; K476-A502 HydrophobicContact CD-CB 4.49Å; K476-A502 WeakPolarHBondContact CE-O 3.3Å; K476-A502 HydrophobicContact CG-CB 4.13Å; K476-A502 PolarHBondContact NZ-O 3.12Å; C498-A502 VanDerWaalsContact O-CB 3.31Å; C498-A502 WeakPolarHBondContact O-CB 3.4Å; C498-A502 PolarHBondContact O-N 2.83Å; C498-A502 VanDerWaalsContact O-N 3.11Å; E500-A502 VanDerWaalsContact C-N 3.29Å; E500-A502 PolarHBondContact O-N 3.27Å
503	S	98	Very high	97.9	Very high	16 Å²	16	39.2 Å²	39.2	11%	0.112	24%	0.236	C	C	.	.	H	α-helix	trans	-96.2	-16.7	-167	68	0	0	0	0	116.1	L499 E500 K505	L499-S503 VanDerWaalsContact O-CB 3.3Å; L499-S503 WeakPolarHBondContact O-CB 3.36Å; L499-S503 PolarHBondContact O-N 3.29Å; L499-S503 PolarHBondContact O-OG 2.84Å; E500-S503 PolarHBondContact O-N 2.95Å; S503-K505 PolarHBondContact O-N 2.81Å; S503-K505 PolarHBondContact OG-N 3.44Å
504	G	97.8	Very high	97.9	Very high	74 Å²	74	35.5 Å²	35.5	76%	0.763	22%	0.218	S	C	*	.			trans	64.9	14.4	-173.8	0	0	0	0	0	114.5	E500	E500-G504 PolarHBondContact O-N 3.05Å
505	K	97.6	Very high	97.9	Very high	65 Å²	65	33.5 Å²	33.5	28%	0.283	21%	0.208	S	C	.	.	S	Bend	trans	-102.4	152.1	177.3	-68	166.2	-175	174.7	0	109.5	Y468 I469 E500 S503 I507	Y468-K505 HydrophobicContact CE1-CB 4.19Å; Y468-K505 HydrophobicContact CE1-CD 4.29Å; Y468-K505 PolarHBondContact O-NZ 3.39Å; I469-K505 PolarHBondContact O-NZ 3.21Å; E500-K505 WeakPolarHBondContact CG-O 3.44Å; S503-K505 PolarHBondContact O-N 2.81Å; S503-K505 PolarHBondContact OG-N 3.44Å; K505-I507 HydrophobicContact CB-CD1 3.69Å; K505-I507 HydrophobicContact CB-CG1 4.38Å; K505-I507 WeakPolarHBondContact O-CG1 3.47Å; K505-I507 PolarHBondContact O-N 2.87Å
506	P	97.4	Very high	97.8	Very high	55 Å²	55	38 Å²	38	36%	0.357	23%	0.227	S	C	.	.			trans	-77.3	62.2	-176.6	33.7	-37.6	0	0	0	112	E500 A508 A509 V510	E500-P506 WeakPolarHBondContact OE2-CA 3.41Å; P506-A508 VanDerWaalsContact C-N 3.35Å; P506-A508 PolarHBondContact O-N 3.22Å; P506-A509 HydrophobicContact CB-CB 4.34Å; P506-A509 PolarHBondContact O-N 2.84Å; P506-V510 HydrophobicContact CG-CG2 4.26Å; P506-V510 VanDerWaalsContact O-CG2 3.31Å; P506-V510 WeakPolarHBondContact O-CG2 3.46Å; P506-V510 PolarHBondContact O-N 3.36Å
507	I	98.4	Very high	97.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-42.5	-175.2	-55.2	-45.7	0	0	0	111.4	L465 Y468 I469 W496 L499 E500 K505 A509 V510 M511	L465-I507 HydrophobicContact CD1-CD1 4.02Å; L465-I507 HydrophobicContact CD1-CG2 3.9Å; L465-I507 HydrophobicContact CD2-CG2 4.47Å; Y468-I507 HydrophobicContact CD1-CD1 4.05Å; Y468-I507 HydrophobicContact CE1-CD1 3.83Å; I469-I507 HydrophobicContact CD1-CD1 3.74Å; I469-I507 HydrophobicContact CD1-CG1 3.97Å; I469-I507 HydrophobicContact CG1-CD1 3.66Å; I469-I507 HydrophobicContact CG1-CG1 4.39Å; W496-I507 HydrophobicContact CD2-CG2 4.3Å; W496-I507 HydrophobicContact CE3-CG2 3.82Å; W496-I507 HydrophobicContact CZ3-CG2 4.4Å; L499-I507 HydrophobicContact CB-CG1 4.3Å; L499-I507 HydrophobicContact CB-CG2 4.11Å; E500-I507 HydrophobicContact CB-CB 4.19Å; E500-I507 HydrophobicContact CB-CG1 4.36Å; E500-I507 PolarHBondContact OE2-N 3.34Å; K505-I507 HydrophobicContact CB-CD1 3.69Å; K505-I507 HydrophobicContact CB-CG1 4.38Å; K505-I507 WeakPolarHBondContact O-CG1 3.47Å; K505-I507 PolarHBondContact O-N 2.87Å; I507-A509 VanDerWaalsContact C-N 3.32Å; I507-A509 PolarHBondContact O-N 3.4Å; I507-V510 PolarHBondContact O-N 2.67Å; I507-M511 HydrophobicContact CG2-CG 3.86Å; I507-M511 VanDerWaalsContact O-CB 3.3Å; I507-M511 WeakPolarHBondContact O-CB 3.29Å; I507-M511 PolarHBondContact O-N 3.02Å
508	A	97.4	Very high	97.4	Very high	31 Å²	31	38.3 Å²	38.3	26%	0.256	23%	0.226	S	C	.	.	H	α-helix	trans	-61.6	-41.6	-179.6	0	0	0	0	0	111.8	W496 E500 P506 S512	W496-A508 HydrophobicContact CB-CB 4.01Å; E500-A508 PolarHBondContact OE2-N 3.04Å; P506-A508 VanDerWaalsContact C-N 3.35Å; P506-A508 PolarHBondContact O-N 3.22Å; A508-S512 WeakPolarHBondContact O-CB 3.37Å; A508-S512 PolarHBondContact O-N 3.32Å; A508-S512 VanDerWaalsContact O-N 3.16Å; A508-S512 PolarHBondContact O-OG 2.81Å
509	A	97.1	Very high	97.3	Very high	53 Å²	53	38 Å²	38	44%	0.438	23%	0.225	S	C	.	.	H	α-helix	trans	-70.1	-47.8	177.3	0	0	0	0	0	111.9	P506 I507 M558	P506-A509 HydrophobicContact CB-CB 4.34Å; P506-A509 PolarHBondContact O-N 2.84Å; I507-A509 VanDerWaalsContact C-N 3.32Å; I507-A509 PolarHBondContact O-N 3.4Å; A509-M558 HydrophobicContact CB-SD 4.16Å
510	V	98	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-53.2	-178.4	177.8	0	0	0	0	110.1	Y468 P506 I507 S513 M558 L577	Y468-V510 HydrophobicContact CE1-CG2 4.41Å; P506-V510 HydrophobicContact CG-CG2 4.26Å; P506-V510 VanDerWaalsContact O-CG2 3.31Å; P506-V510 WeakPolarHBondContact O-CG2 3.46Å; P506-V510 PolarHBondContact O-N 3.36Å; I507-V510 PolarHBondContact O-N 2.67Å; V510-S513 PolarHBondContact O-N 2.89Å; V510-S513 PolarHBondContact O-OG 3.33Å; V510-M558 HydrophobicContact CB-CB 4.23Å; V510-M558 HydrophobicContact CG1-CB 4.01Å; V510-M558 HydrophobicContact CG2-CB 4.03Å; V510-M558 HydrophobicContact CG2-CE 4.1Å; V510-M558 HydrophobicContact CG2-SD 4.02Å; V510-L577 HydrophobicContact CG1-CD1 4.43Å; V510-L577 HydrophobicContact CG2-CD1 4.25Å; V510-L577 HydrophobicContact CG2-CD2 4.03Å
511	M	98	Very high	97.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-72.6	-29.1	-174.1	-67.2	-68.7	102	0	0	114.3	V461 M464 L465 W496 I507 S513 W514 T515	V461-M511 HydrophobicContact CG1-CE 4.42Å; V461-M511 HydrophobicContact CG1-SD 3.67Å; M464-M511 HydrophobicContact CE-CE 4.5Å; L465-M511 HydrophobicContact CB-CE 4.33Å; L465-M511 HydrophobicContact CB-SD 3.88Å; L465-M511 HydrophobicContact CD1-CE 4.08Å; L465-M511 HydrophobicContact CD1-CG 3.83Å; L465-M511 HydrophobicContact CD1-SD 3.82Å; L465-M511 HydrophobicContact CD2-CG 3.96Å; L465-M511 HydrophobicContact CD2-SD 3.79Å; L465-M511 HydrophobicContact CG-CG 4.43Å; L465-M511 HydrophobicContact CG-SD 4.03Å; W496-M511 HydrophobicContact CD2-CB 4.01Å; W496-M511 HydrophobicContact CD2-CG 4.45Å; W496-M511 VanDerWaalsContact CE2-CB 3.46Å; W496-M511 HydrophobicContact CE3-CB 4.31Å; W496-M511 HydrophobicContact CE3-CG 4.26Å; W496-M511 HydrophobicContact CH2-CB 3.62Å; W496-M511 HydrophobicContact CH2-CG 3.68Å; W496-M511 HydrophobicContact CH2-SD 4.15Å; W496-M511 HydrophobicContact CZ2-CB 3.29Å; W496-M511 HydrophobicContact CZ2-CG 3.92Å; W496-M511 HydrophobicContact CZ3-CB 4.14Å; W496-M511 HydrophobicContact CZ3-CG 3.89Å; I507-M511 HydrophobicContact CG2-CG 3.86Å; I507-M511 VanDerWaalsContact O-CB 3.3Å; I507-M511 WeakPolarHBondContact O-CB 3.29Å; I507-M511 PolarHBondContact O-N 3.02Å; M511-S513 PolarHBondContact O-N 2.98Å; M511-W514 HydrophobicContact CE-CG 4.4Å; M511-W514 WeakPolarHBondContact O-CA 3.25Å; M511-W514 PolarHBondContact O-N 2.97Å; M511-T515 PolarHBondContact O-N 3.37Å; M511-T515 PolarHBondContact O-OG1 3.48Å
512	S	96.6	Very high	97.2	Very high	39 Å²	39	26.7 Å²	26.7	27%	0.273	17%	0.171	S	C	.	.	H	α-helix	trans	-58	-31	171.7	-66.7	0	0	0	0	112.3	A508 W514 K516	A508-S512 WeakPolarHBondContact O-CB 3.37Å; A508-S512 PolarHBondContact O-N 3.32Å; A508-S512 VanDerWaalsContact O-N 3.16Å; A508-S512 PolarHBondContact O-OG 2.81Å; S512-W514 PolarHBondContact O-N 2.75Å; S512-K516 WeakPolarHBondContact O-CB 3.47Å; S512-K516 PolarHBondContact O-N 3.3Å
513	S	96.4	Very high	97.1	Very high	17 Å²	17	26.2 Å²	26.2	12%	0.119	17%	0.168	C	C	.	.	H	α-helix	trans	-71.5	-12.1	173.7	77.6	0	0	0	0	114	V510 M511 Q517 W557 M558	V510-S513 PolarHBondContact O-N 2.89Å; V510-S513 PolarHBondContact O-OG 3.33Å; M511-S513 PolarHBondContact O-N 2.98Å; S513-Q517 VanDerWaalsContact O-CD 3.25Å; S513-Q517 WeakPolarHBondContact O-CG 3.22Å; S513-Q517 PolarHBondContact O-NE2 2.8Å; S513-W557 PolarHBondContact O-NE1 3.19Å; S513-W557 VanDerWaalsContact O-NE1 3.11Å; S513-M558 PolarHBondContact OG-N 3.22Å
514	W	97.9	Very high	97.1	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-104.8	-32.3	178	-67.1	97.3	0	0	0	113.6	V461 M464 M511 S512 F520 P521 W557 M558 V559 F605	V461-W514 HydrophobicContact CG1-CB 3.92Å; V461-W514 HydrophobicContact CG1-CG 4.45Å; V461-W514 HydrophobicContact CG2-CB 4.22Å; V461-W514 HydrophobicContact CG2-CE3 4.39Å; M464-W514 HydrophobicContact CE-CD2 3.52Å; M464-W514 HydrophobicContact CE-CE3 3.9Å; M464-W514 HydrophobicContact CE-CG 4.02Å; M464-W514 HydrophobicContact CE-CH2 4Å; M464-W514 HydrophobicContact CE-CZ2 3.65Å; M464-W514 HydrophobicContact CE-CZ3 4.13Å; M464-W514 HydrophobicContact SD-CH2 4.36Å; M464-W514 HydrophobicContact SD-CZ2 4.01Å; M511-W514 HydrophobicContact CE-CG 4.4Å; M511-W514 WeakPolarHBondContact O-CA 3.25Å; M511-W514 PolarHBondContact O-N 2.97Å; S512-W514 PolarHBondContact O-N 2.75Å; W514-F520 HydrophobicContact CZ3-CB 4.29Å; W514-P521 VanDerWaalsContact CH2-CD 3.45Å; W514-P521 HydrophobicContact CH2-CG 3.74Å; W514-P521 HydrophobicContact CZ3-CG 4.36Å; W514-W557 AromaticContact CD2-CD1 3.53Å; W514-W557 HydrophobicContact CD2-CG 4.43Å; W514-W557 AromaticContact CE2-CD1 3.78Å; W514-W557 AromaticContact CE3-CD1 3.44Å; W514-W557 VanDerWaalsContact CE3-CD1 3.44Å; W514-W557 HydrophobicContact CE3-CG 4.39Å; W514-W557 AromaticContact CE3-NE1 3.86Å; W514-W557 HydrophobicContact CH2-CB 4.23Å; W514-W557 AromaticContact CH2-CD1 3.96Å; W514-W557 HydrophobicContact CH2-CG 4.17Å; W514-W557 HydrophobicContact CZ2-CB 3.86Å; W514-W557 HydrophobicContact CZ2-CG 4.19Å; W514-W557 AromaticContact CZ3-CD1 3.66Å; W514-W557 HydrophobicContact CZ3-CG 4.25Å; W514-M558 PolarHBondContact NE1-O 3.32Å; W514-V559 HydrophobicContact CH2-CG1 4.49Å; W514-V559 HydrophobicContact CH2-CG2 4.42Å; W514-V559 HydrophobicContact CZ2-CB 4.3Å; W514-V559 HydrophobicContact CZ2-CG1 4.15Å; W514-V559 HydrophobicContact CZ2-CG2 3.97Å; W514-F605 HydrophobicContact CE3-CD1 4.37Å; W514-F605 VanDerWaalsContact CH2-O 3.3Å; W514-F605 WeakPolarHBondContact CH2-O 3.07Å; W514-F605 HydrophobicContact CZ3-CB 4.17Å; W514-F605 HydrophobicContact CZ3-CD1 4.06Å; W514-F605 WeakPolarHBondContact CZ3-O 3.38Å
515	T	97.3	Very high	97.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-90.4	-37.7	-176.9	58	0	0	0	0	114.1	W389 P435 I436 E437 W496 M511	W389-T515 HydrophobicContact CH2-CG2 4.49Å; W389-T515 HydrophobicContact CZ2-CG2 4.13Å; P435-T515 WeakPolarHBondContact CB-O 3.44Å; I436-T515 HydrophobicContact CB-CG2 4.41Å; I436-T515 HydrophobicContact CD1-CG2 4.17Å; I436-T515 PolarHBondContact N-O 2.71Å; E437-T515 PolarHBondContact N-O 3.28Å; E437-T515 WeakPolarHBondContact OE1-CB 3.2Å; E437-T515 PolarHBondContact OE1-OG1 3Å; W496-T515 HydrophobicContact CZ2-CG2 3.84Å; M511-T515 PolarHBondContact O-N 3.37Å; M511-T515 PolarHBondContact O-OG1 3.48Å
516	K	96	Very high	96.9	Very high	95 Å²	95	24.2 Å²	24.2	41%	0.413	14%	0.143	S	C	.	.	S	Bend	trans	-92.4	0.6	-170	-59.9	-175.2	176.6	177.1	0	114.9	E437 E493 S512	E437-K516 WeakPolarHBondContact OE1-CE 3.27Å; E437-K516 WeakPolarHBondContact OE1-CG 3.44Å; E493-K516 IonicContact OE1-NZ 3.52Å; E493-K516 PolarHBondContact OE1-NZ 3.5Å; S512-K516 WeakPolarHBondContact O-CB 3.47Å; S512-K516 PolarHBondContact O-N 3.3Å
517	Q	94.1	Very high	96.8	Very high	52 Å²	52	23.7 Å²	23.7	24%	0.243	14%	0.135	C	C	.	.	S	Bend	trans	-132.5	150.9	176.3	64.1	-172.2	22.2	0	0	112.6	S513 S556 W557	S513-Q517 VanDerWaalsContact O-CD 3.25Å; S513-Q517 WeakPolarHBondContact O-CG 3.22Å; S513-Q517 PolarHBondContact O-NE2 2.8Å; Q517-S556 PolarHBondContact NE2-O 2.88Å; Q517-W557 HydrophobicContact CG-CZ2 4.44Å; Q517-W557 VanDerWaalsContact NE2-CE2 3.29Å
518	M	94.8	Very high	96.6	Very high	52 Å²	52	30.1 Å²	30.1	26%	0.256	17%	0.165	S	C	.	.	S	Bend	trans	-83.4	144.3	-177.4	-176.2	177	84.7	0	0	111.4	D431 P435	D431-M518 WeakPolarHBondContact O-CE 3.4Å; P435-M518 HydrophobicContact CG-CB 4.4Å
519	G	96.3	Very high	96.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	82.7	-173.6	-177.4	0	0	0	0	0	114.7	D428 K457 W557	D428-G519 WeakPolarHBondContact O-CA 3.27Å; D428-G519 WeakPolarHBondContact OD1-CA 3.25Å; D428-G519 PolarHBondContact OD1-N 2.87Å; D428-G519 WeakPolarHBondContact OD2-CA 3.37Å; D428-G519 PolarHBondContact OD2-N 3.18Å; K457-G519 PolarHBondContact NZ-O 3.06Å; G519-W557 VanDerWaalsContact C-CZ2 3.44Å; G519-W557 WeakPolarHBondContact O-CZ2 3.31Å
520	F	97.9	Very high	96.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.			trans	-145.8	164.2	-178.5	56.5	-92.5	0	0	0	110.1	L425 D428 A429 W514 F543 F605 R607	L425-F520 HydrophobicContact CB-CE1 4.1Å; L425-F520 HydrophobicContact CB-CZ 4.03Å; L425-F520 HydrophobicContact CD2-CB 4.45Å; L425-F520 HydrophobicContact CD2-CD1 3.58Å; L425-F520 HydrophobicContact CD2-CD2 3.59Å; L425-F520 HydrophobicContact CD2-CE1 3.57Å; L425-F520 HydrophobicContact CD2-CE2 3.6Å; L425-F520 HydrophobicContact CD2-CG 3.59Å; L425-F520 HydrophobicContact CD2-CZ 3.56Å; L425-F520 HydrophobicContact CG-CE1 4.44Å; L425-F520 HydrophobicContact CG-CZ 4.37Å; L425-F520 WeakPolarHBondContact O-CE1 3.45Å; L425-F520 WeakPolarHBondContact O-CZ 3.24Å; D428-F520 HydrophobicContact CB-CD1 3.98Å; D428-F520 HydrophobicContact CB-CE1 4.06Å; A429-F520 HydrophobicContact CB-CE1 4.12Å; A429-F520 HydrophobicContact CB-CZ 4.01Å; W514-F520 HydrophobicContact CZ3-CB 4.29Å; F520-F543 HydrophobicContact CD2-CB 4.07Å; F520-F543 HydrophobicContact CE1-CD1 4.5Å; F520-F543 HydrophobicContact CE2-CB 3.53Å; F520-F543 AromaticContact CE2-CD1 3.55Å; F520-F543 HydrophobicContact CE2-CD1 3.55Å; F520-F543 HydrophobicContact CE2-CE1 4.47Å; F520-F543 AromaticContact CE2-CG 3.74Å; F520-F543 HydrophobicContact CE2-CG 3.74Å; F520-F543 HydrophobicContact CZ-CB 4.15Å; F520-F543 AromaticContact CZ-CD1 3.41Å; F520-F543 HydrophobicContact CZ-CD1 3.41Å; F520-F543 VanDerWaalsContact CZ-CD1 3.41Å; F520-F543 HydrophobicContact CZ-CE1 4.14Å; F520-F543 HydrophobicContact CZ-CG 4.09Å; F520-F543 PolarHBondContact O-N 3.25Å; F520-F605 HydrophobicContact CB-CD1 3.86Å; F520-F605 HydrophobicContact CB-CE1 3.79Å; F520-F605 AromaticContact CD1-CE1 3.9Å; F520-F605 HydrophobicContact CD1-CE1 3.9Å; F520-F605 HydrophobicContact CD1-CZ 4.33Å; F520-F605 HydrophobicContact CG-CD1 4.49Å; F520-F605 HydrophobicContact CG-CE1 4.08Å; F520-R607 HydrophobicContact CE2-CB 4.42Å; F520-R607 HydrophobicContact CE2-CG 3.73Å; F520-R607 HydrophobicContact CZ-CG 4.42Å
521	P	97.6	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	149.2	177.7	30.1	-27.7	0	0	0	112.5	W514 I523 Q540 K541 W557 V559 Y606 R607	W514-P521 VanDerWaalsContact CH2-CD 3.45Å; W514-P521 HydrophobicContact CH2-CG 3.74Å; W514-P521 HydrophobicContact CZ3-CG 4.36Å; P521-I523 HydrophobicContact CB-CD1 4.32Å; P521-Q540 HydrophobicContact CB-CB 4.15Å; P521-K541 CarbonylContact C-O 3.5Å; P521-K541 VanDerWaalsContact CA-O 3.23Å; P521-K541 WeakPolarHBondContact CA-O 3.32Å; P521-W557 HydrophobicContact CB-CD2 4.21Å; P521-W557 HydrophobicContact CB-CE3 3.65Å; P521-W557 HydrophobicContact CB-CZ3 4.15Å; P521-W557 HydrophobicContact CG-CB 4.14Å; P521-W557 HydrophobicContact CG-CD2 4Å; P521-W557 HydrophobicContact CG-CE3 3.97Å; P521-W557 HydrophobicContact CG-CG 4.07Å; P521-V559 HydrophobicContact CG-CG2 3.86Å; P521-Y606 WeakPolarHBondContact O-CA 3.5Å; P521-Y606 VanDerWaalsContact O-CB 3.29Å; P521-Y606 WeakPolarHBondContact O-CB 3.47Å; P521-R607 PolarHBondContact O-N 3.41Å
522	I	97.6	Very high	95.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	135.2	150.2	-175	174.8	0	0	0	109.3	Q540 K541 F543 R607 Q609 L642 M647	I522-Q540 WeakPolarHBondContact O-CA 3.46Å; I522-K541 HydrophobicContact CG2-CB 4.28Å; I522-K541 PolarHBondContact N-O 3.01Å; I522-K541 PolarHBondContact O-N 2.63Å; I522-F543 HydrophobicContact CB-CB 4.15Å; I522-F543 HydrophobicContact CB-CD2 4.17Å; I522-F543 HydrophobicContact CD1-CD2 4.26Å; I522-F543 HydrophobicContact CG2-CB 4.36Å; I522-F543 HydrophobicContact CG2-CD2 4.48Å; I522-R607 CarbonylContact C-O 3.49Å; I522-R607 WeakPolarHBondContact CA-O 3.46Å; I522-R607 HydrophobicContact CG1-CB 4.44Å; I522-Q609 HydrophobicContact CD1-CB 3.7Å; I522-Q609 HydrophobicContact CG1-CB 4.32Å; I522-L642 HydrophobicContact CD1-CD2 3.46Å; I522-L642 VanDerWaalsContact CD1-CD2 3.46Å; I522-M647 HydrophobicContact CD1-CE 3.65Å; I522-M647 HydrophobicContact CD1-SD 4.32Å
523	I	97.9	Very high	95.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	114.8	171.8	-52.5	-56	0	0	0	109.1	P521 V525 L538 S539 Q540 V559 I561 L578 Y606 R607 I608 Q609	P521-I523 HydrophobicContact CB-CD1 4.32Å; I523-V525 HydrophobicContact CG2-CG2 4.1Å; I523-L538 HydrophobicContact CG2-CD2 4.45Å; I523-S539 CarbonylContact C-O 3.6Å; I523-S539 WeakPolarHBondContact CA-O 3.28Å; I523-Q540 HydrophobicContact CD1-CB 3.77Å; I523-V559 HydrophobicContact CD1-CG1 4.46Å; I523-V559 HydrophobicContact CD1-CG2 4.4Å; I523-I561 HydrophobicContact CD1-CD1 4.25Å; I523-I561 HydrophobicContact CG1-CD1 4.34Å; I523-I561 HydrophobicContact CG2-CD1 4.21Å; I523-L578 HydrophobicContact CD1-CD2 3.98Å; I523-Y606 HydrophobicContact CB-CD2 4.27Å; I523-Y606 HydrophobicContact CB-CE2 4.49Å; I523-Y606 HydrophobicContact CG1-CD2 3.45Å; I523-Y606 VanDerWaalsContact CG1-CD2 3.45Å; I523-Y606 HydrophobicContact CG1-CE2 3.81Å; I523-Y606 HydrophobicContact CG1-CG 3.98Å; I523-R607 PolarHBondContact N-O 2.66Å; I523-I608 CarbonylContact O-C 3.57Å; I523-I608 WeakPolarHBondContact O-CA 3.02Å; I523-Q609 PolarHBondContact O-N 3.19Å
524	V	97.1	Very high	95.4	Very high	32 Å²	32	45.1 Å²	45.1	19%	0.194	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	133.5	173.6	-172.3	0	0	0	0	109.1	S539 Q609	V524-S539 PolarHBondContact N-O 3.35Å; V524-S539 PolarHBondContact O-N 3.22Å; V524-Q609 HydrophobicContact CG1-CB 4.5Å; V524-Q609 HydrophobicContact CG2-CB 4.33Å
525	V	97	Very high	95.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	108.6	-167.9	-171.3	0	0	0	0	111	I523 L538 I598 I608 Q609 S611 M614	I523-V525 HydrophobicContact CG2-CG2 4.1Å; V525-L538 HydrophobicContact CB-CD2 4.35Å; V525-L538 HydrophobicContact CG1-CD2 3.9Å; V525-L538 HydrophobicContact CG2-CD2 3.97Å; V525-I598 HydrophobicContact CG1-CD1 4.41Å; V525-I598 HydrophobicContact CG1-CG1 4.12Å; V525-I598 HydrophobicContact CG2-CG1 3.98Å; V525-I608 HydrophobicContact CG2-CG2 3.67Å; V525-Q609 PolarHBondContact N-O 2.74Å; V525-S611 PolarHBondContact O-N 3.34Å; V525-M614 HydrophobicContact CB-SD 4.47Å; V525-M614 HydrophobicContact CG1-CE 3.77Å; V525-M614 HydrophobicContact CG1-SD 3.78Å
526	D	94.4	Very high	95.4	Very high	82 Å²	82	46.3 Å²	46.3	44%	0.439	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	150.7	170.6	-69.8	-55.9	0	0	0	110.5	L536 K537	D526-L536 WeakPolarHBondContact O-CA 3.09Å; D526-K537 HydrophobicContact CB-CB 4.44Å; D526-K537 PolarHBondContact N-O 3.17Å; D526-K537 VanDerWaalsContact N-O 3.08Å; D526-K537 PolarHBondContact O-N 3.32Å
527	Q	94.3	Very high	95.5	Very high	43 Å²	43	45.6 Å²	45.6	20%	0.201	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.6	-179.5	67.6	170	-4.1	0	0	113.2	R534 I535 L536 M614	Q527-R534 HydrophobicContact CB-CG 4.27Å; Q527-R534 VanDerWaalsContact CD-NH1 3.33Å; Q527-R534 VanDerWaalsContact OE1-NH1 3.1Å; Q527-I535 CarbonylContact C-O 3.47Å; Q527-I535 WeakPolarHBondContact CA-O 3.38Å; Q527-L536 HydrophobicContact CB-CD2 3.58Å; Q527-M614 HydrophobicContact CB-CE 4.42Å; Q527-M614 HydrophobicContact CB-CG 4.42Å; Q527-M614 HydrophobicContact CB-SD 3.91Å; Q527-M614 HydrophobicContact CG-CG 3.65Å; Q527-M614 HydrophobicContact CG-SD 3.77Å
528	E	94.8	Very high	95.6	Very high	135 Å²	135	43.1 Å²	43.1	63%	0.631	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.7	170.6	-175.1	173.3	-170.9	0	0	109.5	R534 I535	E528-R534 VanDerWaalsContact O-CD 3.27Å; E528-R534 WeakPolarHBondContact O-CD 3.19Å; E528-I535 HydrophobicContact CB-CB 4.41Å; E528-I535 PolarHBondContact N-O 3.29Å; E528-I535 PolarHBondContact O-N 3.01Å
529	Q	94.6	Very high	95.7	Very high	60 Å²	60	42 Å²	42	28%	0.28	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121.3	174.6	-171.9	75.3	42.9	0	0	109.1	G531 D533 V590	Q529-G531 PolarHBondContact NE2-O 2.74Å; Q529-D533 PolarHBondContact NE2-O 3.05Å; Q529-V590 PolarHBondContact NE2-O 3.29Å; Q529-V590 PolarHBondContact OE1-O 3.05Å
530	Q	93.8	Very high	95.7	Very high	129 Å²	129	42.7 Å²	42.7	60%	0.603	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	86.8	179.8	-169.1	173.4	24	0	0	110	D533 I535	Q530-D533 PolarHBondContact N-O 3.13Å; Q530-D533 PolarHBondContact O-N 3.03Å; Q530-I535 HydrophobicContact CB-CD1 4.46Å; Q530-I535 HydrophobicContact CB-CG1 3.91Å
531	G	90.9	Very high	95.6	Very high	61 Å²	61	46.6 Å²	46.6	63%	0.629	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	-131.3	-169.9	0	0	0	0	0	110.6	Q529 D533	Q529-G531 PolarHBondContact NE2-O 2.74Å; G531-D533 VanDerWaalsContact C-N 3.25Å; G531-D533 PolarHBondContact O-N 3.13Å
532	D	90.5	Very high	95.5	Very high	135 Å²	135	47.1 Å²	47.1	72%	0.722	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-6.1	178	-58.3	-46.3	0	0	0	113.3	G589 V590	D532-G589 CarbonylContact O-C 3.49Å; D532-G589 WeakPolarHBondContact O-CA 3.29Å; D532-V590 CarbonylContact O-C 3.51Å; D532-V590 PolarHBondContact O-N 3Å
533	D	94.6	Very high	95.5	Very high	56 Å²	56	47.2 Å²	47.2	30%	0.299	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	152	-175.6	-58.2	-31.2	0	0	0	112.2	Q529 Q530 G531 T586 N588 G589	Q529-D533 PolarHBondContact NE2-O 3.05Å; Q530-D533 PolarHBondContact N-O 3.13Å; Q530-D533 PolarHBondContact O-N 3.03Å; G531-D533 VanDerWaalsContact C-N 3.25Å; G531-D533 PolarHBondContact O-N 3.13Å; D533-T586 HydrophobicContact CB-CG2 3.98Å; D533-N588 WeakPolarHBondContact OD1-CA 3.46Å; D533-G589 PolarHBondContact OD1-N 3.33Å
534	R	94.8	Very high	95.4	Very high	14 Å²	14	47.4 Å²	47.4	5%	0.053	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.8	171.4	-161.4	79.3	68.4	141.6	6.2	111.2	Q527 E528 L536 T586 L587 V590 G591 P592 I596	Q527-R534 HydrophobicContact CB-CG 4.27Å; Q527-R534 VanDerWaalsContact CD-NH1 3.33Å; Q527-R534 VanDerWaalsContact OE1-NH1 3.1Å; E528-R534 VanDerWaalsContact O-CD 3.27Å; E528-R534 WeakPolarHBondContact O-CD 3.19Å; R534-L536 HydrophobicContact CG-CD2 4.02Å; R534-T586 WeakPolarHBondContact O-CA 3.2Å; R534-L587 HydrophobicContact CB-CB 4.47Å; R534-L587 PolarHBondContact N-O 2.67Å; R534-L587 PolarHBondContact O-N 3.03Å; R534-V590 HydrophobicContact CB-CB 4.04Å; R534-V590 HydrophobicContact CB-CG1 4.12Å; R534-G591 PolarHBondContact NH2-O 2.97Å; R534-P592 VanDerWaalsContact NH2-C 3.3Å; R534-P592 VanDerWaalsContact NH2-CA 3.3Å; R534-P592 PolarHBondContact NH2-O 3.37Å; R534-I596 HydrophobicContact CB-CD1 4.22Å; R534-I596 HydrophobicContact CG-CD1 3.75Å
535	I	96.9	Very high	95.3	Very high	26 Å²	26	46.2 Å²	46.2	13%	0.133	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.1	167.9	-51	-57.7	0	0	0	108	Q527 E528 Q530 T584 T586	Q527-I535 CarbonylContact C-O 3.47Å; Q527-I535 WeakPolarHBondContact CA-O 3.38Å; E528-I535 HydrophobicContact CB-CB 4.41Å; E528-I535 PolarHBondContact N-O 3.29Å; E528-I535 PolarHBondContact O-N 3.01Å; Q530-I535 HydrophobicContact CB-CD1 4.46Å; Q530-I535 HydrophobicContact CB-CG1 3.91Å; I535-T584 HydrophobicContact CG2-CG2 3.48Å; I535-T584 VanDerWaalsContact CG2-CG2 3.48Å; I535-T586 HydrophobicContact CD1-CG2 3.85Å; I535-T586 WeakPolarHBondContact CD1-OG1 3.44Å
536	L	97.3	Very high	95.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.2	173.7	-59.4	178.8	0	0	0	109.6	D526 Q527 R534 I563 T584 V585 L587 I596 I598 M614	D526-L536 WeakPolarHBondContact O-CA 3.09Å; Q527-L536 HydrophobicContact CB-CD2 3.58Å; R534-L536 HydrophobicContact CG-CD2 4.02Å; L536-I563 HydrophobicContact CD1-CD1 4Å; L536-T584 WeakPolarHBondContact O-CA 3.49Å; L536-V585 HydrophobicContact CB-CG2 3.9Å; L536-V585 HydrophobicContact CD1-CG2 4.36Å; L536-V585 PolarHBondContact N-O 3.09Å; L536-V585 PolarHBondContact O-N 3.11Å; L536-L587 HydrophobicContact CD1-CD1 3.75Å; L536-L587 HydrophobicContact CD1-CG 4.09Å; L536-L587 HydrophobicContact CG-CD1 4.49Å; L536-I596 HydrophobicContact CD1-CG2 4.14Å; L536-I596 HydrophobicContact CD2-CD1 4.04Å; L536-I598 HydrophobicContact CD1-CD1 4.24Å; L536-M614 HydrophobicContact CD2-CE 4.16Å
537	K	97.6	Very high	95	Very high	79 Å²	79	46.2 Å²	46.2	34%	0.343	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.7	163.6	-178.1	169.9	177	165.1	0	108.6	D526 E582	D526-K537 HydrophobicContact CB-CB 4.44Å; D526-K537 PolarHBondContact N-O 3.17Å; D526-K537 VanDerWaalsContact N-O 3.08Å; D526-K537 PolarHBondContact O-N 3.32Å; K537-E582 VanDerWaalsContact CE-CD 3.5Å; K537-E582 WeakPolarHBondContact CE-OE2 3.35Å; K537-E582 IonicContact NZ-OE1 3.21Å; K537-E582 PolarHBondContact NZ-OE1 2.95Å; K537-E582 IonicContact NZ-OE2 3.02Å; K537-E582 PolarHBondContact NZ-OE2 2.81Å
538	L	97.9	Very high	94.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.7	178.4	-55.6	175.2	0	0	0	108.4	I523 V525 I561 I576 E582 T583 V585 I598	I523-L538 HydrophobicContact CG2-CD2 4.45Å; V525-L538 HydrophobicContact CB-CD2 4.35Å; V525-L538 HydrophobicContact CG1-CD2 3.9Å; V525-L538 HydrophobicContact CG2-CD2 3.97Å; L538-I561 HydrophobicContact CD1-CD1 4.29Å; L538-I561 HydrophobicContact CD1-CG2 4.43Å; L538-I576 HydrophobicContact CD1-CD1 4.06Å; L538-E582 CarbonylContact O-C 3.39Å; L538-E582 VanDerWaalsContact O-CA 3.26Å; L538-E582 WeakPolarHBondContact O-CA 3.42Å; L538-T583 HydrophobicContact CB-CG2 4.22Å; L538-T583 HydrophobicContact CD1-CG2 4.4Å; L538-T583 PolarHBondContact N-O 3.29Å; L538-T583 PolarHBondContact O-N 3.02Å; L538-T583 VanDerWaalsContact O-O 3.12Å; L538-V585 HydrophobicContact CD1-CG2 4.18Å; L538-I598 HydrophobicContact CD2-CD1 4.45Å
539	S	96.6	Very high	94.4	Very high	30 Å²	30	42.6 Å²	42.6	21%	0.21	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	151.9	174	62.3	0	0	0	0	111.9	I523 V524 S581	I523-S539 CarbonylContact C-O 3.6Å; I523-S539 WeakPolarHBondContact CA-O 3.28Å; V524-S539 PolarHBondContact N-O 3.35Å; V524-S539 PolarHBondContact O-N 3.22Å; S539-S581 CarbonylContact C-O 3.52Å; S539-S581 VanDerWaalsContact CA-O 3.22Å; S539-S581 WeakPolarHBondContact CA-O 3.39Å; S539-S581 WeakPolarHBondContact CB-O 3.43Å
540	Q	95.8	Very high	93.6	Very high	13 Å²	13	45.3 Å²	45.3	6%	0.061	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	148.2	-178.6	65	171.9	-59.1	0	0	113.1	P521 I522 I523 S556 W557 L578 K580 S581	P521-Q540 HydrophobicContact CB-CB 4.15Å; I522-Q540 WeakPolarHBondContact O-CA 3.46Å; I523-Q540 HydrophobicContact CD1-CB 3.77Å; Q540-S556 PolarHBondContact NE2-OG 3.23Å; Q540-W557 PolarHBondContact NE2-O 2.89Å; Q540-W557 PolarHBondContact OE1-O 2.9Å; Q540-L578 HydrophobicContact CB-CD2 4.04Å; Q540-L578 HydrophobicContact CG-CD2 4.1Å; Q540-K580 PolarHBondContact NE2-O 3.48Å; Q540-S581 PolarHBondContact N-O 3.04Å
541	K	95.3	Very high	92.8	Very high	82 Å²	82	41 Å²	41	36%	0.357	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	155	167.4	-66.9	-172.8	172.3	-169.3	0	109.3	P521 I522 F543 P548 N550	P521-K541 CarbonylContact C-O 3.5Å; P521-K541 VanDerWaalsContact CA-O 3.23Å; P521-K541 WeakPolarHBondContact CA-O 3.32Å; I522-K541 HydrophobicContact CG2-CB 4.28Å; I522-K541 PolarHBondContact N-O 3.01Å; I522-K541 PolarHBondContact O-N 2.63Å; K541-F543 PolarHBondContact O-N 2.97Å; K541-P548 HydrophobicContact CD-CB 4.27Å; K541-N550 PolarHBondContact NZ-OD1 3.34Å
542	K	96.1	Very high	92	Very high	12 Å²	12	47.6 Å²	47.6	5%	0.052	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	131.1	164.8	179.8	-175.7	-180	-153.1	0	109.7	D431 C544 H549 W557	D431-K542 IonicContact OD1-NZ 3.85Å; D431-K542 PolarHBondContact OD1-NZ 3.24Å; K542-C544 WeakPolarHBondContact CE-SG 3.32Å; K542-C544 PolarHBondContact NZ-SG 3.32Å; K542-H549 HydrophobicContact CB-CB 3.84Å; K542-H549 HydrophobicContact CG-CB 4.41Å; K542-H549 PolarHBondContact O-N 2.84Å; K542-W557 HydrophobicContact CB-CH2 3.69Å; K542-W557 HydrophobicContact CB-CZ3 3.91Å; K542-W557 HydrophobicContact CG-CH2 3.87Å
543	F	97.4	Very high	91.4	Very high	3 Å²	3	48.6 Å²	48.6	1%	0.013	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	133.6	165.9	-176	-93.1	0	0	0	110.1	A429 F520 I522 K541 L642 A645 M647	A429-F543 HydrophobicContact CB-CD1 3.71Å; A429-F543 HydrophobicContact CB-CE1 3.69Å; F520-F543 HydrophobicContact CD2-CB 4.07Å; F520-F543 HydrophobicContact CE1-CD1 4.5Å; F520-F543 HydrophobicContact CE2-CB 3.53Å; F520-F543 AromaticContact CE2-CD1 3.55Å; F520-F543 HydrophobicContact CE2-CD1 3.55Å; F520-F543 HydrophobicContact CE2-CE1 4.47Å; F520-F543 AromaticContact CE2-CG 3.74Å; F520-F543 HydrophobicContact CE2-CG 3.74Å; F520-F543 HydrophobicContact CZ-CB 4.15Å; F520-F543 AromaticContact CZ-CD1 3.41Å; F520-F543 HydrophobicContact CZ-CD1 3.41Å; F520-F543 VanDerWaalsContact CZ-CD1 3.41Å; F520-F543 HydrophobicContact CZ-CE1 4.14Å; F520-F543 HydrophobicContact CZ-CG 4.09Å; F520-F543 PolarHBondContact O-N 3.25Å; I522-F543 HydrophobicContact CB-CB 4.15Å; I522-F543 HydrophobicContact CB-CD2 4.17Å; I522-F543 HydrophobicContact CD1-CD2 4.26Å; I522-F543 HydrophobicContact CG2-CB 4.36Å; I522-F543 HydrophobicContact CG2-CD2 4.48Å; K541-F543 PolarHBondContact O-N 2.97Å; F543-L642 HydrophobicContact CE2-CD2 4Å; F543-A645 HydrophobicContact CE2-CB 4.17Å; F543-A645 HydrophobicContact CZ-CB 3.95Å; F543-M647 HydrophobicContact CD2-SD 4.19Å; F543-M647 HydrophobicContact CE2-SD 3.92Å
544	C	96.4	Very high	90.9	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.02	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156.8	162.5	-61.2	0	0	0	0	109.4	A429 D431 K542 S546 G547	A429-C544 CarbonylContact O-C 3.48Å; A429-C544 VanDerWaalsContact O-CA 3.23Å; A429-C544 WeakPolarHBondContact O-CA 3.23Å; D431-C544 PolarHBondContact OD1-SG 3.05Å; K542-C544 WeakPolarHBondContact CE-SG 3.32Å; K542-C544 PolarHBondContact NZ-SG 3.32Å; C544-S546 WeakPolarHBondContact CB-OG 3.14Å; C544-S546 PolarHBondContact O-N 3.31Å; C544-S546 VanDerWaalsContact O-N 3.17Å; C544-G547 CarbonylContact C-O 3.56Å; C544-G547 WeakPolarHBondContact CA-O 3.41Å; C544-G547 VanDerWaalsContact CB-O 3.32Å; C544-G547 WeakPolarHBondContact CB-O 3.28Å; C544-G547 PolarHBondContact N-O 2.99Å; C544-G547 CarbonylContact O-C 3.59Å; C544-G547 PolarHBondContact O-N 3.4Å
545	A	95.4	Very high	90.7	Very high	7 Å²	7	49.5 Å²	49.5	6%	0.058	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.8	176.8	0	0	0	0	0	112.9	A429 L430 A645 L910	A429-A545 HydrophobicContact CB-CB 3.99Å; A429-A545 PolarHBondContact O-N 3.43Å; L430-A545 HydrophobicContact CD2-CB 4.04Å; A545-A645 WeakPolarHBondContact O-CA 3.4Å; A545-L910 HydrophobicContact CB-CD1 3.63Å; A545-L910 HydrophobicContact CB-CD2 4.43Å
546	S	93.5	Very high	90.4	Very high	73 Å²	73	50.8 Å²	50.8	51%	0.51	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.6	172.5	52.3	0	0	0	0	114.2	C544	C544-S546 WeakPolarHBondContact CB-OG 3.14Å; C544-S546 PolarHBondContact O-N 3.31Å; C544-S546 VanDerWaalsContact O-N 3.17Å
547	G	91.3	Very high	90.4	Very high	10 Å²	10	50.9 Å²	50.9	10%	0.103	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	125.9	177.9	-173	0	0	0	0	0	112.5	C544	C544-G547 CarbonylContact C-O 3.56Å; C544-G547 WeakPolarHBondContact CA-O 3.41Å; C544-G547 VanDerWaalsContact CB-O 3.32Å; C544-G547 WeakPolarHBondContact CB-O 3.28Å; C544-G547 PolarHBondContact N-O 2.99Å; C544-G547 CarbonylContact O-C 3.59Å; C544-G547 PolarHBondContact O-N 3.4Å
548	P	87.9	Confident	90.5	Very high	36 Å²	36	49 Å²	49	23%	0.234	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	143.2	177	31.2	-32.5	0	0	0	110.2	K541 N550 M647	K541-P548 HydrophobicContact CD-CB 4.27Å; P548-N550 PolarHBondContact O-ND2 2.86Å; P548-M647 HydrophobicContact CB-CE 4.14Å; P548-M647 HydrophobicContact CB-SD 4.44Å; P548-M647 HydrophobicContact CG-CE 3.97Å; P548-M647 HydrophobicContact CG-SD 4.27Å
549	H	87.1	Confident	90.5	Very high	66 Å²	66	49 Å²	49	31%	0.306	28%	0.279	S	S	.	.			trans	-67.8	134.7	176.7	-169.1	86.2	0	0	0	111.1	K542 G551	K542-H549 HydrophobicContact CB-CB 3.84Å; K542-H549 HydrophobicContact CG-CB 4.41Å; K542-H549 PolarHBondContact O-N 2.84Å; H549-G551 PolarHBondContact CD2-N 3.04Å; H549-G551 VanDerWaalsContact CD2-N 3.32Å; H549-G551 WeakPolarHBondContact NE2-CA 3.47Å; H549-G551 PolarHBondContact NE2-N 3.29Å
550	N	78.5	Confident	90.5	Very high	117 Å²	117	48.1 Å²	48.1	63%	0.626	27%	0.273	S	S	*	.			trans	-129.2	16.8	-175	-61.8	-62.4	0	0	0	113.9	K541 P548	K541-N550 PolarHBondContact NZ-OD1 3.34Å; P548-N550 PolarHBondContact O-ND2 2.86Å
551	G	77	Confident	90.7	Very high	37 Å²	37	47.5 Å²	47.5	38%	0.381	27%	0.27	S	S	.	.	S	Bend	trans	-72.4	163.3	168.2	0	0	0	0	0	112.5	H549	H549-G551 PolarHBondContact CD2-N 3.04Å; H549-G551 VanDerWaalsContact CD2-N 3.32Å; H549-G551 WeakPolarHBondContact NE2-CA 3.47Å; H549-G551 PolarHBondContact NE2-N 3.29Å
552	E	73.4	Confident	90.8	Very high	201 Å²	201	44.2 Å²	44.2	94%	0.939	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-37.1	177.8	-62	-173.5	160.2	0	0	111.4	C554	E552-C554 PolarHBondContact O-N 3.2Å
553	D	79.1	Confident	90.8	Very high	156 Å²	156	43.6 Å²	43.6	83%	0.834	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	38.5	175.2	-56.5	-60.6	0	0	0	113.4	P555	D553-P555 WeakPolarHBondContact O-CD 3.1Å
554	C	83.4	Confident	90.8	Very high	45 Å²	45	43.5 Å²	43.5	30%	0.304	25%	0.254	S	S	.	.			trans	-66.3	122.5	-176.7	-167.2	0	0	0	0	111.4	E552	E552-C554 PolarHBondContact O-N 3.2Å
555	P	90.5	Very high	90.7	Very high	44 Å²	44	43.4 Å²	43.4	29%	0.286	25%	0.253	S	S	.	.			trans	-61	149	179.3	-24.5	34.7	0	0	0	112.9	D553 W557	D553-P555 WeakPolarHBondContact O-CD 3.1Å; P555-W557 HydrophobicContact CB-CH2 3.76Å; P555-W557 HydrophobicContact CB-CZ2 4.36Å; P555-W557 HydrophobicContact CB-CZ3 3.99Å; P555-W557 VanDerWaalsContact O-CZ3 3.24Å; P555-W557 WeakPolarHBondContact O-CZ3 3.46Å
556	S	91.9	Very high	90.7	Very high	52 Å²	52	45.2 Å²	45.2	36%	0.364	27%	0.266	S	S	.	.			trans	-129.7	147	178.6	-169.4	0	0	0	0	109.8	Q517 Q540	Q517-S556 PolarHBondContact NE2-O 2.88Å; Q540-S556 PolarHBondContact NE2-OG 3.23Å
557	W	97.2	Very high	90.6	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.008	27%	0.27	C	S	.	.			trans	-116.3	154.8	179	-68.4	-101.5	0	0	0	110.4	S513 W514 Q517 G519 P521 Q540 K542 P555 V559	S513-W557 PolarHBondContact O-NE1 3.19Å; S513-W557 VanDerWaalsContact O-NE1 3.11Å; W514-W557 AromaticContact CD2-CD1 3.53Å; W514-W557 HydrophobicContact CD2-CG 4.43Å; W514-W557 AromaticContact CE2-CD1 3.78Å; W514-W557 AromaticContact CE3-CD1 3.44Å; W514-W557 VanDerWaalsContact CE3-CD1 3.44Å; W514-W557 HydrophobicContact CE3-CG 4.39Å; W514-W557 AromaticContact CE3-NE1 3.86Å; W514-W557 HydrophobicContact CH2-CB 4.23Å; W514-W557 AromaticContact CH2-CD1 3.96Å; W514-W557 HydrophobicContact CH2-CG 4.17Å; W514-W557 HydrophobicContact CZ2-CB 3.86Å; W514-W557 HydrophobicContact CZ2-CG 4.19Å; W514-W557 AromaticContact CZ3-CD1 3.66Å; W514-W557 HydrophobicContact CZ3-CG 4.25Å; Q517-W557 HydrophobicContact CG-CZ2 4.44Å; Q517-W557 VanDerWaalsContact NE2-CE2 3.29Å; G519-W557 VanDerWaalsContact C-CZ2 3.44Å; G519-W557 WeakPolarHBondContact O-CZ2 3.31Å; P521-W557 HydrophobicContact CB-CD2 4.21Å; P521-W557 HydrophobicContact CB-CE3 3.65Å; P521-W557 HydrophobicContact CB-CZ3 4.15Å; P521-W557 HydrophobicContact CG-CB 4.14Å; P521-W557 HydrophobicContact CG-CD2 4Å; P521-W557 HydrophobicContact CG-CE3 3.97Å; P521-W557 HydrophobicContact CG-CG 4.07Å; Q540-W557 PolarHBondContact NE2-O 2.89Å; Q540-W557 PolarHBondContact OE1-O 2.9Å; K542-W557 HydrophobicContact CB-CH2 3.69Å; K542-W557 HydrophobicContact CB-CZ3 3.91Å; K542-W557 HydrophobicContact CG-CH2 3.87Å; P555-W557 HydrophobicContact CB-CH2 3.76Å; P555-W557 HydrophobicContact CB-CZ2 4.36Å; P555-W557 HydrophobicContact CB-CZ3 3.99Å; P555-W557 VanDerWaalsContact O-CZ3 3.24Å; P555-W557 WeakPolarHBondContact O-CZ3 3.46Å; W557-V559 HydrophobicContact CB-CG2 3.72Å
558	M	97.9	Very high	90.7	Very high	40 Å²	40	50.7 Å²	50.7	20%	0.197	28%	0.283	C	S	.	.			trans	-87.8	105.1	162.7	-60.9	-176.3	81.1	0	0	107.5	A509 V510 S513 W514 P560 L577 L578 E579	A509-M558 HydrophobicContact CB-SD 4.16Å; V510-M558 HydrophobicContact CB-CB 4.23Å; V510-M558 HydrophobicContact CG1-CB 4.01Å; V510-M558 HydrophobicContact CG2-CB 4.03Å; V510-M558 HydrophobicContact CG2-CE 4.1Å; V510-M558 HydrophobicContact CG2-SD 4.02Å; S513-M558 PolarHBondContact OG-N 3.22Å; W514-M558 PolarHBondContact NE1-O 3.32Å; M558-P560 WeakPolarHBondContact O-CD 3.48Å; M558-L577 HydrophobicContact CB-CD1 4.35Å; M558-L577 HydrophobicContact CE-CD2 4.07Å; M558-L578 WeakPolarHBondContact CA-O 3.36Å; M558-E579 HydrophobicContact CE-CB 4.4Å; M558-E579 HydrophobicContact CE-CG 3.91Å
559	V	98.4	Very high	90.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.7	-167.1	-167.1	0	0	0	0	111.7	W514 P521 I523 W557 I561 L578 Y606	W514-V559 HydrophobicContact CH2-CG1 4.49Å; W514-V559 HydrophobicContact CH2-CG2 4.42Å; W514-V559 HydrophobicContact CZ2-CB 4.3Å; W514-V559 HydrophobicContact CZ2-CG1 4.15Å; W514-V559 HydrophobicContact CZ2-CG2 3.97Å; P521-V559 HydrophobicContact CG-CG2 3.86Å; I523-V559 HydrophobicContact CD1-CG1 4.46Å; I523-V559 HydrophobicContact CD1-CG2 4.4Å; W557-V559 HydrophobicContact CB-CG2 3.72Å; V559-I561 HydrophobicContact CB-CG1 4.24Å; V559-I561 HydrophobicContact CG1-CD1 4.46Å; V559-I561 HydrophobicContact CG1-CG1 3.85Å; V559-I561 PolarHBondContact O-N 3.32Å; V559-I561 VanDerWaalsContact O-N 3.15Å; V559-L578 HydrophobicContact CB-CB 4.18Å; V559-L578 PolarHBondContact N-O 3.11Å; V559-L578 PolarHBondContact O-N 2.95Å; V559-Y606 HydrophobicContact CG1-CD1 3.37Å; V559-Y606 HydrophobicContact CG1-CE1 3.47Å; V559-Y606 VanDerWaalsContact CG1-CE1 3.47Å; V559-Y606 HydrophobicContact CG1-CG 4.15Å
560	P	98	Very high	90.9	Very high	11 Å²	11	54.5 Å²	54.5	7%	0.071	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	104.4	169	-18	32.6	0	0	0	110.4	M464 Y468 M558 L577	M464-P560 HydrophobicContact CG-CG 4.33Å; Y468-P560 HydrophobicContact CD1-CG 4.48Å; Y468-P560 HydrophobicContact CD2-CB 3.77Å; Y468-P560 HydrophobicContact CD2-CG 3.89Å; Y468-P560 HydrophobicContact CE2-CB 4.5Å; Y468-P560 HydrophobicContact CE2-CG 4.49Å; Y468-P560 HydrophobicContact CG-CB 4.13Å; Y468-P560 HydrophobicContact CG-CG 3.89Å; M558-P560 WeakPolarHBondContact O-CD 3.48Å; P560-L577 HydrophobicContact CG-CD1 4.12Å
561	I	98.1	Very high	91.4	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.7	-179.2	-62.2	179.4	0	0	0	109.8	I523 L538 V559 I563 R575 I576 L578 I598 Y606	I523-I561 HydrophobicContact CD1-CD1 4.25Å; I523-I561 HydrophobicContact CG1-CD1 4.34Å; I523-I561 HydrophobicContact CG2-CD1 4.21Å; L538-I561 HydrophobicContact CD1-CD1 4.29Å; L538-I561 HydrophobicContact CD1-CG2 4.43Å; V559-I561 HydrophobicContact CB-CG1 4.24Å; V559-I561 HydrophobicContact CG1-CD1 4.46Å; V559-I561 HydrophobicContact CG1-CG1 3.85Å; V559-I561 PolarHBondContact O-N 3.32Å; V559-I561 VanDerWaalsContact O-N 3.15Å; I561-I563 HydrophobicContact CG2-CG1 4.17Å; I561-R575 CarbonylContact O-C 3.19Å; I561-R575 WeakPolarHBondContact O-CA 3.35Å; I561-I576 HydrophobicContact CB-CG1 4.02Å; I561-I576 PolarHBondContact N-O 3.31Å; I561-I576 PolarHBondContact O-N 3.47Å; I561-L578 HydrophobicContact CD1-CB 3.87Å; I561-L578 HydrophobicContact CD1-CD2 3.86Å; I561-L578 HydrophobicContact CD1-CG 4.47Å; I561-L578 HydrophobicContact CG1-CB 4.44Å; I561-I598 HydrophobicContact CG2-CG2 3.85Å; I561-Y606 HydrophobicContact CG1-CE1 4.44Å
562	S	97.5	Very high	92	Very high	12 Å²	12	52.5 Å²	52.5	8%	0.084	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	149.9	170.1	-60.7	0	0	0	0	110.5	N599 P600	S562-N599 PolarHBondContact O-N 2.88Å; S562-P600 VanDerWaalsContact C-CD 3.49Å; S562-P600 WeakPolarHBondContact O-CD 3.17Å
563	I	97.6	Very high	92.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	132	-176.4	-50.6	-178	0	0	0	110	L536 I561 S572 K573 L574 V585 L587 I596 K597 I598	L536-I563 HydrophobicContact CD1-CD1 4Å; I561-I563 HydrophobicContact CG2-CG1 4.17Å; I563-S572 CarbonylContact O-C 3.53Å; I563-S572 VanDerWaalsContact O-CA 3.31Å; I563-S572 WeakPolarHBondContact O-CA 3.34Å; I563-K573 PolarHBondContact O-N 3.48Å; I563-L574 HydrophobicContact CB-CB 4.46Å; I563-L574 HydrophobicContact CD1-CD2 4.42Å; I563-L574 PolarHBondContact N-O 3.48Å; I563-L574 PolarHBondContact O-N 3.29Å; I563-V585 HydrophobicContact CD1-CG2 4.27Å; I563-L587 HydrophobicContact CD1-CD2 4.5Å; I563-L587 HydrophobicContact CG2-CD1 3.95Å; I563-I596 HydrophobicContact CG2-CG2 3.61Å; I563-K597 WeakPolarHBondContact CA-O 2.93Å; I563-I598 HydrophobicContact CB-CD1 4.29Å; I563-I598 HydrophobicContact CD1-CD1 3.71Å; I563-I598 HydrophobicContact CG1-CD1 3.65Å; I563-I598 HydrophobicContact CG2-CD1 3.86Å
564	C	96.4	Very high	93.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.007	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	174	166.3	80.5	0	0	0	0	111.5	P569 C571 K597 P600	C564-P569 PolarHBondContact SG-O 2.82Å; C564-C571 WeakPolarHBondContact CB-O 3.38Å; C564-K597 PolarHBondContact N-O 2.9Å; C564-K597 PolarHBondContact O-N 2.83Å; C564-P600 HydrophobicContact CB-CB 4.13Å; C564-P600 HydrophobicContact CB-CG 4.33Å
565	T	95.5	Very high	94.4	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	170.8	-177	66.7	0	0	0	0	110.6	E567 D568 K573 L587 V590 W595 I596	T565-E567 PolarHBondContact O-N 3.05Å; T565-D568 CarbonylContact O-C 3.5Å; T565-D568 PolarHBondContact O-N 3.15Å; T565-K573 HydrophobicContact CG2-CD 4.07Å; T565-L587 HydrophobicContact CG2-CD1 4.24Å; T565-V590 HydrophobicContact CG2-CG1 4.43Å; T565-V590 HydrophobicContact CG2-CG2 4.12Å; T565-W595 VanDerWaalsContact CA-O 3.29Å; T565-W595 WeakPolarHBondContact CA-O 3.2Å; T565-I596 HydrophobicContact CG2-CG1 4.28Å
566	S	94.1	Very high	94.7	Very high	45 Å²	45	45.8 Å²	45.8	32%	0.315	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-14.1	177.2	68.2	0	0	0	0	115.7	Q594 W595	S566-Q594 WeakPolarHBondContact OG-CB 3.48Å; S566-W595 PolarHBondContact N-O 2.67Å; S566-W595 VanDerWaalsContact N-O 3.1Å
567	E	92.2	Very high	94.9	Very high	128 Å²	128	45.1 Å²	45.1	60%	0.598	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-46.2	174.8	-177.3	179.7	-159.7	0	0	112.3	T565 K573	T565-E567 PolarHBondContact O-N 3.05Å; E567-K573 IonicContact OE2-NZ 2.75Å; E567-K573 PolarHBondContact OE2-NZ 2.88Å
568	D	92.2	Very high	94.9	Very high	69 Å²	69	45.1 Å²	45.1	37%	0.369	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-139.5	96.3	171.3	-172.7	-22.7	0	0	0	108.6	T565 K570 C571	T565-D568 CarbonylContact O-C 3.5Å; T565-D568 PolarHBondContact O-N 3.15Å; D568-K570 PolarHBondContact O-N 2.83Å; D568-K570 WeakPolarHBondContact OD1-CA 3.15Å; D568-K570 WeakPolarHBondContact OD1-CB 3.35Å; D568-K570 PolarHBondContact OD1-N 2.7Å; D568-C571 HydrophobicContact CB-CB 4.49Å; D568-C571 PolarHBondContact OD1-N 3.33Å; D568-C571 VanDerWaalsContact OD2-CB 3.27Å; D568-C571 WeakPolarHBondContact OD2-CB 3.37Å; D568-C571 PolarHBondContact OD2-SG 2.85Å
569	P	90.6	Very high	94.8	Very high	25 Å²	25	49.1 Å²	49.1	16%	0.162	25%	0.247	C	C	.	.	S	Bend	trans	-63.2	-15.2	176.3	-29.3	38.6	0	0	0	115.2	C564 W595 S626	C564-P569 PolarHBondContact SG-O 2.82Å; P569-W595 HydrophobicContact CB-CH2 3.79Å; P569-W595 HydrophobicContact CB-CZ2 4.21Å; P569-W595 HydrophobicContact CG-CH2 3.85Å; P569-W595 HydrophobicContact CG-CZ2 3.85Å; P569-S626 WeakPolarHBondContact CB-O 3.24Å
570	K	88.7	Confident	94.5	Very high	157 Å²	157	56.1 Å²	56.1	68%	0.683	28%	0.277	S	S	*	.	S	Bend	trans	-104.4	-31.3	-170.2	-66.7	-177.5	174.1	-175.3	0	113	D568 Q628	D568-K570 PolarHBondContact O-N 2.83Å; D568-K570 WeakPolarHBondContact OD1-CA 3.15Å; D568-K570 WeakPolarHBondContact OD1-CB 3.35Å; D568-K570 PolarHBondContact OD1-N 2.7Å; K570-Q628 HydrophobicContact CG-CG 4.33Å
571	C	89.2	Confident	94.2	Very high	74 Å²	74	59.3 Å²	59.3	50%	0.5	30%	0.3	S	S	.	.	S	Bend	trans	-96.7	146.3	178.2	-61.1	0	0	0	0	112.6	C564 D568 K573	C564-C571 WeakPolarHBondContact CB-O 3.38Å; D568-C571 HydrophobicContact CB-CB 4.49Å; D568-C571 PolarHBondContact OD1-N 3.33Å; D568-C571 VanDerWaalsContact OD2-CB 3.27Å; D568-C571 WeakPolarHBondContact OD2-CB 3.37Å; D568-C571 PolarHBondContact OD2-SG 2.85Å; C571-K573 PolarHBondContact O-N 2.79Å
572	S	90.9	Very high	94.1	Very high	38 Å²	38	64 Å²	64	27%	0.266	32%	0.322	S	S	.	.			trans	-75.6	110.1	172.7	-44.3	0	0	0	0	110.2	I563 L574 R575	I563-S572 CarbonylContact O-C 3.53Å; I563-S572 VanDerWaalsContact O-CA 3.31Å; I563-S572 WeakPolarHBondContact O-CA 3.34Å; S572-L574 PolarHBondContact O-N 2.89Å; S572-R575 PolarHBondContact OG-NE 2.88Å; S572-R575 VanDerWaalsContact OG-NE 3.14Å; S572-R575 PolarHBondContact OG-NH2 3.4Å
573	K	92.3	Very high	94	Very high	79 Å²	79	66 Å²	66	34%	0.343	33%	0.333	S	S	.	.	S	Bend	trans	-68.4	-25.1	172.5	-169.6	164.2	-178.5	169.6	0	111.8	I563 T565 E567 C571 N588 G589 V590	I563-K573 PolarHBondContact O-N 3.48Å; T565-K573 HydrophobicContact CG2-CD 4.07Å; E567-K573 IonicContact OE2-NZ 2.75Å; E567-K573 PolarHBondContact OE2-NZ 2.88Å; C571-K573 PolarHBondContact O-N 2.79Å; K573-N588 VanDerWaalsContact CE-O 3.26Å; K573-N588 WeakPolarHBondContact CE-O 3.39Å; K573-N588 PolarHBondContact NZ-O 2.85Å; K573-G589 PolarHBondContact NZ-O 3.13Å; K573-V590 HydrophobicContact CD-CG2 4.26Å
574	L	96	Very high	94	Very high	47 Å²	47	69.9 Å²	69.9	25%	0.246	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	147.5	169.3	-175.9	60.6	0	0	0	111.4	I563 S572 I576 V585 L587	I563-L574 HydrophobicContact CB-CB 4.46Å; I563-L574 HydrophobicContact CD1-CD2 4.42Å; I563-L574 PolarHBondContact N-O 3.48Å; I563-L574 PolarHBondContact O-N 3.29Å; S572-L574 PolarHBondContact O-N 2.89Å; L574-I576 HydrophobicContact CD1-CG2 4.2Å; L574-I576 HydrophobicContact CD2-CG2 4.21Å; L574-I576 HydrophobicContact CG-CG2 4.11Å; L574-V585 HydrophobicContact CD2-CB 3.76Å; L574-V585 HydrophobicContact CD2-CG1 4.04Å; L574-V585 HydrophobicContact CD2-CG2 3.96Å; L574-L587 HydrophobicContact CB-CD2 3.76Å; L574-L587 HydrophobicContact CD2-CD2 3.81Å; L574-L587 HydrophobicContact CG-CD2 4.44Å
575	R	96.6	Very high	94.1	Very high	134 Å²	134	70.6 Å²	70.6	51%	0.506	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.3	167	-64.2	-172	168.8	-149.1	-7.5	109.1	N467 I561 S572	N467-R575 PolarHBondContact O-NH1 3.11Å; N467-R575 VanDerWaalsContact O-NH1 3.16Å; N467-R575 PolarHBondContact OD1-NH1 2.93Å; N467-R575 PolarHBondContact OD1-NH2 3.03Å; I561-R575 CarbonylContact O-C 3.19Å; I561-R575 WeakPolarHBondContact O-CA 3.35Å; S572-R575 PolarHBondContact OG-NE 2.88Å; S572-R575 VanDerWaalsContact OG-NE 3.14Å; S572-R575 PolarHBondContact OG-NH2 3.4Å
576	I	96.9	Very high	94.1	Very high	45 Å²	45	73.7 Å²	73.7	23%	0.231	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	166.2	176.9	59.5	155.2	0	0	0	111.3	L538 I561 L574 T583 V585	L538-I576 HydrophobicContact CD1-CD1 4.06Å; I561-I576 HydrophobicContact CB-CG1 4.02Å; I561-I576 PolarHBondContact N-O 3.31Å; I561-I576 PolarHBondContact O-N 3.47Å; L574-I576 HydrophobicContact CD1-CG2 4.2Å; L574-I576 HydrophobicContact CD2-CG2 4.21Å; L574-I576 HydrophobicContact CG-CG2 4.11Å; I576-T583 HydrophobicContact CD1-CG2 3.89Å; I576-V585 HydrophobicContact CD1-CG1 3.97Å; I576-V585 HydrophobicContact CG2-CG1 4.26Å
577	L	97.5	Very high	94.2	Very high	38 Å²	38	71.8 Å²	71.8	20%	0.199	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.3	163.2	-172.7	64.5	0	0	0	108.5	Y468 V510 M558 P560 E579	Y468-L577 HydrophobicContact CE2-CD1 4.39Å; V510-L577 HydrophobicContact CG1-CD1 4.43Å; V510-L577 HydrophobicContact CG2-CD1 4.25Å; V510-L577 HydrophobicContact CG2-CD2 4.03Å; M558-L577 HydrophobicContact CB-CD1 4.35Å; M558-L577 HydrophobicContact CE-CD2 4.07Å; P560-L577 HydrophobicContact CG-CD1 4.12Å; L577-E579 HydrophobicContact CB-CG 4.42Å; L577-E579 HydrophobicContact CD2-CG 3.89Å; L577-E579 HydrophobicContact CG-CG 3.89Å; L577-E579 PolarHBondContact O-N 2.82Å
578	L	97.4	Very high	94.3	Very high	2 Å²	2	71 Å²	71	1%	0.01	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	95.4	171.7	178.5	65.5	0	0	0	108.5	I523 Q540 M558 V559 I561 K580 T583	I523-L578 HydrophobicContact CD1-CD2 3.98Å; Q540-L578 HydrophobicContact CB-CD2 4.04Å; Q540-L578 HydrophobicContact CG-CD2 4.1Å; M558-L578 WeakPolarHBondContact CA-O 3.36Å; V559-L578 HydrophobicContact CB-CB 4.18Å; V559-L578 PolarHBondContact N-O 3.11Å; V559-L578 PolarHBondContact O-N 2.95Å; I561-L578 HydrophobicContact CD1-CB 3.87Å; I561-L578 HydrophobicContact CD1-CD2 3.86Å; I561-L578 HydrophobicContact CD1-CG 4.47Å; I561-L578 HydrophobicContact CG1-CB 4.44Å; L578-K580 VanDerWaalsContact CD1-O 3.29Å; L578-K580 WeakPolarHBondContact CD1-O 3.35Å; L578-K580 WeakPolarHBondContact CG-O 3.44Å; L578-T583 HydrophobicContact CD1-CG2 3.65Å
579	E	94.4	Very high	94.3	Very high	125 Å²	125	69.5 Å²	69.5	58%	0.584	37%	0.368	S	S	*	.			trans	-86.5	-4.5	-179.6	-58.4	175.5	-142.8	0	0	113.7	M558 L577	M558-E579 HydrophobicContact CE-CB 4.4Å; M558-E579 HydrophobicContact CE-CG 3.91Å; L577-E579 HydrophobicContact CB-CG 4.42Å; L577-E579 HydrophobicContact CD2-CG 3.89Å; L577-E579 HydrophobicContact CG-CG 3.89Å; L577-E579 PolarHBondContact O-N 2.82Å
580	K	92.1	Very high	94.4	Very high	146 Å²	146	68.3 Å²	68.3	64%	0.635	36%	0.36	S	S	*	.	S	Bend	trans	-136.2	170.6	-169.5	-63.7	-177.5	-176.5	175	0	111.4	Q540 L578 E582	Q540-K580 PolarHBondContact NE2-O 3.48Å; L578-K580 VanDerWaalsContact CD1-O 3.29Å; L578-K580 WeakPolarHBondContact CD1-O 3.35Å; L578-K580 WeakPolarHBondContact CG-O 3.44Å; K580-E582 VanDerWaalsContact C-N 3.26Å; K580-E582 PolarHBondContact O-N 2.92Å
581	S	92	Very high	94.5	Very high	79 Å²	79	61.8 Å²	61.8	55%	0.552	34%	0.338	S	S	*	.	S	Bend	trans	-60.6	-31.1	175.1	50.2	0	0	0	0	113.6	S539 Q540	S539-S581 CarbonylContact C-O 3.52Å; S539-S581 VanDerWaalsContact CA-O 3.22Å; S539-S581 WeakPolarHBondContact CA-O 3.39Å; S539-S581 WeakPolarHBondContact CB-O 3.43Å; Q540-S581 PolarHBondContact N-O 3.04Å
582	E	95.6	Very high	94.4	Very high	100 Å²	100	62.2 Å²	62.2	47%	0.467	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	157.7	172.7	63.3	174.4	-124.7	0	0	113.5	K537 L538 K580	K537-E582 VanDerWaalsContact CE-CD 3.5Å; K537-E582 WeakPolarHBondContact CE-OE2 3.35Å; K537-E582 IonicContact NZ-OE1 3.21Å; K537-E582 PolarHBondContact NZ-OE1 2.95Å; K537-E582 IonicContact NZ-OE2 3.02Å; K537-E582 PolarHBondContact NZ-OE2 2.81Å; L538-E582 CarbonylContact O-C 3.39Å; L538-E582 VanDerWaalsContact O-CA 3.26Å; L538-E582 WeakPolarHBondContact O-CA 3.42Å; K580-E582 VanDerWaalsContact C-N 3.26Å; K580-E582 PolarHBondContact O-N 2.92Å
583	T	96.8	Very high	94.2	Very high	52 Å²	52	67.7 Å²	67.7	32%	0.319	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	165.7	168.8	-161.2	0	0	0	0	111	L538 I576 L578	L538-T583 HydrophobicContact CB-CG2 4.22Å; L538-T583 HydrophobicContact CD1-CG2 4.4Å; L538-T583 PolarHBondContact N-O 3.29Å; L538-T583 PolarHBondContact O-N 3.02Å; L538-T583 VanDerWaalsContact O-O 3.12Å; I576-T583 HydrophobicContact CD1-CG2 3.89Å; L578-T583 HydrophobicContact CD1-CG2 3.65Å
584	T	97.3	Very high	94.2	Very high	82 Å²	82	66.1 Å²	66.1	50%	0.503	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.7	173.8	-57.4	0	0	0	0	109.3	I535 L536	I535-T584 HydrophobicContact CG2-CG2 3.48Å; I535-T584 VanDerWaalsContact CG2-CG2 3.48Å; L536-T584 WeakPolarHBondContact O-CA 3.49Å
585	V	96.9	Very high	94.1	Very high	17 Å²	17	64.5 Å²	64.5	10%	0.103	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.5	176.5	-63.3	0	0	0	0	111.6	L536 L538 I563 L574 I576	L536-V585 HydrophobicContact CB-CG2 3.9Å; L536-V585 HydrophobicContact CD1-CG2 4.36Å; L536-V585 PolarHBondContact N-O 3.09Å; L536-V585 PolarHBondContact O-N 3.11Å; L538-V585 HydrophobicContact CD1-CG2 4.18Å; I563-V585 HydrophobicContact CD1-CG2 4.27Å; L574-V585 HydrophobicContact CD2-CB 3.76Å; L574-V585 HydrophobicContact CD2-CG1 4.04Å; L574-V585 HydrophobicContact CD2-CG2 3.96Å; I576-V585 HydrophobicContact CD1-CG1 3.97Å; I576-V585 HydrophobicContact CG2-CG1 4.26Å
586	T	96.9	Very high	94.1	Very high	66 Å²	66	58.3 Å²	58.3	41%	0.405	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.7	173	-53.7	0	0	0	0	109.4	D533 R534 I535 N588	D533-T586 HydrophobicContact CB-CG2 3.98Å; R534-T586 WeakPolarHBondContact O-CA 3.2Å; I535-T586 HydrophobicContact CD1-CG2 3.85Å; I535-T586 WeakPolarHBondContact CD1-OG1 3.44Å; T586-N588 WeakPolarHBondContact CG2-OD1 3.49Å
587	L	96.1	Very high	94.1	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	107	165.7	-57.1	-176	0	0	0	108.7	R534 L536 I563 T565 L574 V590 I596	R534-L587 HydrophobicContact CB-CB 4.47Å; R534-L587 PolarHBondContact N-O 2.67Å; R534-L587 PolarHBondContact O-N 3.03Å; L536-L587 HydrophobicContact CD1-CD1 3.75Å; L536-L587 HydrophobicContact CD1-CG 4.09Å; L536-L587 HydrophobicContact CG-CD1 4.49Å; I563-L587 HydrophobicContact CD1-CD2 4.5Å; I563-L587 HydrophobicContact CG2-CD1 3.95Å; T565-L587 HydrophobicContact CG2-CD1 4.24Å; L574-L587 HydrophobicContact CB-CD2 3.76Å; L574-L587 HydrophobicContact CD2-CD2 3.81Å; L574-L587 HydrophobicContact CG-CD2 4.44Å; L587-V590 HydrophobicContact CB-CB 4.28Å; L587-V590 HydrophobicContact CB-CG2 3.65Å; L587-V590 HydrophobicContact CD1-CG2 4.43Å; L587-I596 HydrophobicContact CD1-CD1 4.1Å; L587-I596 HydrophobicContact CD1-CG1 4.43Å; L587-I596 HydrophobicContact CD1-CG2 4.03Å
588	N	94.2	Very high	94.1	Very high	112 Å²	112	54.5 Å²	54.5	60%	0.599	31%	0.307	S	S	*	.	S	Bend	trans	-70.8	137.7	-177.1	-55	-15.7	0	0	0	110.9	D533 K573 T586	D533-N588 WeakPolarHBondContact OD1-CA 3.46Å; K573-N588 VanDerWaalsContact CE-O 3.26Å; K573-N588 WeakPolarHBondContact CE-O 3.39Å; K573-N588 PolarHBondContact NZ-O 2.85Å; T586-N588 WeakPolarHBondContact CG2-OD1 3.49Å
589	G	92.3	Very high	94.1	Very high	38 Å²	38	54.7 Å²	54.7	39%	0.392	31%	0.308	S	S	.	.	S	Bend	trans	56.2	62.5	-179.2	0	0	0	0	0	111.9	D532 D533 K573	D532-G589 CarbonylContact O-C 3.49Å; D532-G589 WeakPolarHBondContact O-CA 3.29Å; D533-G589 PolarHBondContact OD1-N 3.33Å; K573-G589 PolarHBondContact NZ-O 3.13Å
590	V	93.3	Very high	94.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.286	C	S	.	.			trans	-133.3	97.7	174.2	179.4	0	0	0	0	108.1	Q529 D532 R534 T565 K573 L587 Q594 I596	Q529-V590 PolarHBondContact NE2-O 3.29Å; Q529-V590 PolarHBondContact OE1-O 3.05Å; D532-V590 CarbonylContact O-C 3.51Å; D532-V590 PolarHBondContact O-N 3Å; R534-V590 HydrophobicContact CB-CB 4.04Å; R534-V590 HydrophobicContact CB-CG1 4.12Å; T565-V590 HydrophobicContact CG2-CG1 4.43Å; T565-V590 HydrophobicContact CG2-CG2 4.12Å; K573-V590 HydrophobicContact CD-CG2 4.26Å; L587-V590 HydrophobicContact CB-CB 4.28Å; L587-V590 HydrophobicContact CB-CG2 3.65Å; L587-V590 HydrophobicContact CD1-CG2 4.43Å; V590-Q594 HydrophobicContact CG1-CB 4.14Å; V590-I596 HydrophobicContact CG1-CD1 3.99Å; V590-I596 HydrophobicContact CG1-CG1 4.12Å
591	G	90.1	Very high	94.4	Very high	20 Å²	20	43.4 Å²	43.4	21%	0.206	26%	0.264	C	S	.	.			trans	-70.8	170.2	-175.8	0	0	0	0	0	114	R534 D593 Q594	R534-G591 PolarHBondContact NH2-O 2.97Å; G591-D593 VanDerWaalsContact C-N 3.32Å; G591-D593 PolarHBondContact O-N 3.22Å; G591-Q594 PolarHBondContact O-N 3.12Å
592	P	87.3	Confident	94.6	Very high	83 Å²	83	39.9 Å²	39.9	54%	0.539	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-39.7	-174.3	22	-33.4	0	0	0	113.3	R534 Q594	R534-P592 VanDerWaalsContact NH2-C 3.3Å; R534-P592 VanDerWaalsContact NH2-CA 3.3Å; R534-P592 PolarHBondContact NH2-O 3.37Å; P592-Q594 VanDerWaalsContact C-N 3.34Å; P592-Q594 PolarHBondContact O-N 3.28Å
593	D	87.1	Confident	94.7	Very high	152 Å²	152	36.1 Å²	36.1	81%	0.813	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.6	-175.4	-50.9	-63.9	0	0	0	114.2	G591	G591-D593 VanDerWaalsContact C-N 3.32Å; G591-D593 PolarHBondContact O-N 3.22Å
594	Q	91.5	Very high	94.7	Very high	46 Å²	46	33.8 Å²	33.8	22%	0.215	21%	0.209	C	C	.	.			trans	-85.1	124.9	179.4	-64.5	-174.4	-89.2	0	0	110.9	S566 V590 G591 P592	S566-Q594 WeakPolarHBondContact OG-CB 3.48Å; V590-Q594 HydrophobicContact CG1-CB 4.14Å; G591-Q594 PolarHBondContact O-N 3.12Å; P592-Q594 VanDerWaalsContact C-N 3.34Å; P592-Q594 PolarHBondContact O-N 3.28Å
595	W	94.5	Very high	94.7	Very high	14 Å²	14	29.9 Å²	29.9	5%	0.053	19%	0.185	C	C	.	.			trans	-74	155.2	172.2	63.2	-113.5	0	0	0	111.6	T565 S566 P569 K597 S617 L618 L627	T565-W595 VanDerWaalsContact CA-O 3.29Å; T565-W595 WeakPolarHBondContact CA-O 3.2Å; S566-W595 PolarHBondContact N-O 2.67Å; S566-W595 VanDerWaalsContact N-O 3.1Å; P569-W595 HydrophobicContact CB-CH2 3.79Å; P569-W595 HydrophobicContact CB-CZ2 4.21Å; P569-W595 HydrophobicContact CG-CH2 3.85Å; P569-W595 HydrophobicContact CG-CZ2 3.85Å; W595-K597 HydrophobicContact CE3-CB 4.18Å; W595-K597 HydrophobicContact CZ3-CB 3.77Å; W595-S617 WeakPolarHBondContact CB-O 3.45Å; W595-L618 HydrophobicContact CB-CD2 3.92Å; W595-L618 HydrophobicContact CB-CG 4.38Å; W595-L618 HydrophobicContact CD2-CD2 4.12Å; W595-L618 HydrophobicContact CE3-CD2 3.95Å; W595-L618 HydrophobicContact CG-CD2 4.14Å; W595-L627 HydrophobicContact CD2-CD1 3.78Å; W595-L627 VanDerWaalsContact CE2-CD1 3.45Å; W595-L627 HydrophobicContact CE3-CD1 4.12Å; W595-L627 HydrophobicContact CG-CD1 4.37Å; W595-L627 HydrophobicContact CH2-CD1 3.99Å; W595-L627 HydrophobicContact CH2-CG 4.26Å; W595-L627 HydrophobicContact CZ2-CD1 3.57Å; W595-L627 HydrophobicContact CZ2-CG 4.23Å; W595-L627 HydrophobicContact CZ3-CD1 4.24Å
596	I	96.4	Very high	94.8	Very high	3 Å²	3	29 Å²	29	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	123.2	-176.7	-58.4	170.9	0	0	0	108.1	R534 L536 I563 T565 L587 V590 I598 M614	R534-I596 HydrophobicContact CB-CD1 4.22Å; R534-I596 HydrophobicContact CG-CD1 3.75Å; L536-I596 HydrophobicContact CD1-CG2 4.14Å; L536-I596 HydrophobicContact CD2-CD1 4.04Å; I563-I596 HydrophobicContact CG2-CG2 3.61Å; T565-I596 HydrophobicContact CG2-CG1 4.28Å; L587-I596 HydrophobicContact CD1-CD1 4.1Å; L587-I596 HydrophobicContact CD1-CG1 4.43Å; L587-I596 HydrophobicContact CD1-CG2 4.03Å; V590-I596 HydrophobicContact CG1-CD1 3.99Å; V590-I596 HydrophobicContact CG1-CG1 4.12Å; I596-I598 HydrophobicContact CG2-CD1 4.23Å; I596-M614 HydrophobicContact CB-CE 4.08Å; I596-M614 HydrophobicContact CG2-CE 4.41Å
597	K	96.8	Very high	94.9	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.017	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.5	176.9	178.9	58.5	171.7	54.9	0	109.4	I563 C564 W595 N599 D631	I563-K597 WeakPolarHBondContact CA-O 2.93Å; C564-K597 PolarHBondContact N-O 2.9Å; C564-K597 PolarHBondContact O-N 2.83Å; W595-K597 HydrophobicContact CE3-CB 4.18Å; W595-K597 HydrophobicContact CZ3-CB 3.77Å; K597-N599 PolarHBondContact NZ-O 3.08Å; K597-D631 HydrophobicContact CD-CB 4.47Å; K597-D631 WeakPolarHBondContact CE-OD1 3.3Å; K597-D631 HydrophobicContact CG-CB 4.29Å; K597-D631 IonicContact NZ-OD1 2.6Å; K597-D631 PolarHBondContact NZ-OD1 2.87Å
598	I	97.7	Very high	94.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	147.6	166.7	-48.5	-58.5	0	0	0	108.1	V525 L536 L538 I561 I563 I596 Y606 I608 Y610	V525-I598 HydrophobicContact CG1-CD1 4.41Å; V525-I598 HydrophobicContact CG1-CG1 4.12Å; V525-I598 HydrophobicContact CG2-CG1 3.98Å; L536-I598 HydrophobicContact CD1-CD1 4.24Å; L538-I598 HydrophobicContact CD2-CD1 4.45Å; I561-I598 HydrophobicContact CG2-CG2 3.85Å; I563-I598 HydrophobicContact CB-CD1 4.29Å; I563-I598 HydrophobicContact CD1-CD1 3.71Å; I563-I598 HydrophobicContact CG1-CD1 3.65Å; I563-I598 HydrophobicContact CG2-CD1 3.86Å; I596-I598 HydrophobicContact CG2-CD1 4.23Å; I598-Y606 HydrophobicContact CG2-CE2 4.29Å; I598-I608 HydrophobicContact CB-CD1 3.84Å; I598-I608 HydrophobicContact CB-CG2 4.37Å; I598-I608 HydrophobicContact CG2-CD1 4.07Å; I598-I608 VanDerWaalsContact O-CD1 3.24Å; I598-I608 WeakPolarHBondContact O-CD1 3.26Å; I598-Y610 HydrophobicContact CG1-CE1 4.07Å; I598-Y610 PolarHBondContact N-OH 3.08Å; I598-Y610 PolarHBondContact O-OH 3.28Å
599	N	97.4	Very high	95	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.027	14%	0.143	C	C	.	.	S	Bend	trans	55.7	56.2	-176.8	-159.1	6	0	0	0	113.2	S562 K597 T602 V603 G604 Y606 I608	S562-N599 PolarHBondContact O-N 2.88Å; K597-N599 PolarHBondContact NZ-O 3.08Å; N599-T602 WeakPolarHBondContact O-CA 3.41Å; N599-T602 PolarHBondContact O-N 2.95Å; N599-V603 PolarHBondContact OD1-N 2.89Å; N599-G604 PolarHBondContact ND2-O 3.04Å; N599-G604 PolarHBondContact OD1-N 3.23Å; N599-Y606 HydrophobicContact CB-CE2 3.77Å; N599-Y606 WeakPolarHBondContact CB-OH 3.43Å; N599-I608 HydrophobicContact CB-CD1 3.62Å
600	P	96.9	Very high	95.2	Very high	18 Å²	18	22 Å²	22	12%	0.117	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	137.3	175.1	25.7	-34.2	0	0	0	110.9	S562 C564 T602 D631	S562-P600 VanDerWaalsContact C-CD 3.49Å; S562-P600 WeakPolarHBondContact O-CD 3.17Å; C564-P600 HydrophobicContact CB-CB 4.13Å; C564-P600 HydrophobicContact CB-CG 4.33Å; P600-T602 PolarHBondContact O-N 3.44Å; P600-D631 VanDerWaalsContact CA-OD1 3.27Å; P600-D631 WeakPolarHBondContact CA-OD1 3.39Å
601	G	95.2	Very high	95.1	Very high	17 Å²	17	23.3 Å²	23.3	18%	0.175	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	1.8	-172.7	0	0	0	0	0	115.1	R463 V603 V630 D631	R463-G601 PolarHBondContact NH2-O 3.03Å; G601-V603 PolarHBondContact O-N 3.49Å; G601-V630 WeakPolarHBondContact O-CG2 3.33Å; G601-D631 VanDerWaalsContact N-CG 3.34Å; G601-D631 PolarHBondContact N-OD1 2.78Å; G601-D631 PolarHBondContact N-OD2 3.03Å
602	T	96.6	Very high	95	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.025	16%	0.156	C	C	.	.	S	Bend	trans	48	56.6	-177.5	-49.4	0	0	0	0	111.1	V417 Y421 R463 N599 P600 V630	V417-T602 HydrophobicContact CG1-CG2 3.72Å; Y421-T602 HydrophobicContact CD1-CG2 4.1Å; Y421-T602 HydrophobicContact CE1-CG2 3.53Å; Y421-T602 HydrophobicContact CE2-CG2 4.38Å; R463-T602 PolarHBondContact NH1-O 3.19Å; N599-T602 WeakPolarHBondContact O-CA 3.41Å; N599-T602 PolarHBondContact O-N 2.95Å; P600-T602 PolarHBondContact O-N 3.44Å; T602-V630 PolarHBondContact OG1-O 3.19Å
603	V	96.8	Very high	95.1	Very high	21 Å²	21	25.6 Å²	25.6	13%	0.127	15%	0.152	C	C	.	.			trans	-99.7	-45.1	-167.2	178.5	0	0	0	0	113.2	R463 N467 N599 G601	R463-V603 HydrophobicContact CG-CG1 4.49Å; N467-V603 HydrophobicContact CB-CG1 3.69Å; N599-V603 PolarHBondContact OD1-N 2.89Å; G601-V603 PolarHBondContact O-N 3.49Å
604	G	97.6	Very high	95.4	Very high	3 Å²	3	18.5 Å²	18.5	3%	0.031	11%	0.114	C	C	.	.	S	Bend	trans	-76.4	140.1	177.9	0	0	0	0	0	111.2	Y421 M464 N599 Y606	Y421-G604 WeakPolarHBondContact CE2-O 3.24Å; Y421-G604 PolarHBondContact OH-O 3.33Å; M464-G604 VanDerWaalsContact SD-CA 3.58Å; N599-G604 PolarHBondContact ND2-O 3.04Å; N599-G604 PolarHBondContact OD1-N 3.23Å; G604-Y606 VanDerWaalsContact C-N 3.31Å; G604-Y606 PolarHBondContact O-N 2.92Å
605	F	98.3	Very high	95.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-80	71.1	-172.9	-168.2	-109.2	0	0	0	112.7	Y421 A424 L425 K457 S460 V461 M464 W514 F520	Y421-F605 AromaticContact CD2-CD2 3.98Å; Y421-F605 HydrophobicContact CD2-CD2 3.98Å; Y421-F605 AromaticContact CE2-CD2 3.93Å; Y421-F605 HydrophobicContact CE2-CD2 3.93Å; A424-F605 HydrophobicContact CB-CE2 3.61Å; A424-F605 HydrophobicContact CB-CZ 3.63Å; L425-F605 HydrophobicContact CD2-CD1 4.27Å; L425-F605 HydrophobicContact CD2-CD2 3.97Å; L425-F605 HydrophobicContact CD2-CE1 3.82Å; L425-F605 HydrophobicContact CD2-CE2 3.5Å; L425-F605 VanDerWaalsContact CD2-CE2 3.5Å; L425-F605 HydrophobicContact CD2-CG 4.34Å; L425-F605 HydrophobicContact CD2-CZ 3.42Å; L425-F605 VanDerWaalsContact CD2-CZ 3.42Å; L425-F605 HydrophobicContact CG-CD2 4.3Å; L425-F605 HydrophobicContact CG-CE2 3.62Å; L425-F605 HydrophobicContact CG-CZ 3.86Å; K457-F605 HydrophobicContact CB-CZ 4.34Å; K457-F605 HydrophobicContact CD-CE1 3.97Å; K457-F605 HydrophobicContact CD-CZ 4.44Å; K457-F605 HydrophobicContact CG-CD1 4.22Å; K457-F605 HydrophobicContact CG-CE1 3.63Å; K457-F605 HydrophobicContact CG-CZ 3.84Å; S460-F605 VanDerWaalsContact CB-CD2 3.43Å; V461-F605 HydrophobicContact CG2-CB 4.43Å; V461-F605 HydrophobicContact CG2-CD1 4.45Å; M464-F605 HydrophobicContact CE-CB 4.1Å; M464-F605 HydrophobicContact SD-CB 4.45Å; M464-F605 PolarHBondContact SD-N 2.82Å; W514-F605 HydrophobicContact CE3-CD1 4.37Å; W514-F605 VanDerWaalsContact CH2-O 3.3Å; W514-F605 WeakPolarHBondContact CH2-O 3.07Å; W514-F605 HydrophobicContact CZ3-CB 4.17Å; W514-F605 HydrophobicContact CZ3-CD1 4.06Å; W514-F605 WeakPolarHBondContact CZ3-O 3.38Å; F520-F605 HydrophobicContact CB-CD1 3.86Å; F520-F605 HydrophobicContact CB-CE1 3.79Å; F520-F605 AromaticContact CD1-CE1 3.9Å; F520-F605 HydrophobicContact CD1-CE1 3.9Å; F520-F605 HydrophobicContact CD1-CZ 4.33Å; F520-F605 HydrophobicContact CG-CD1 4.49Å; F520-F605 HydrophobicContact CG-CE1 4.08Å
606	Y	98.1	Very high	95.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.14	C	C	.	.			trans	-156.3	150.1	-178.6	58	-98.1	0	0	0	112.1	Y421 P521 I523 V559 I561 I598 N599 G604 I608	Y421-Y606 PolarHBondContact OH-N 3.34Å; Y421-Y606 PolarHBondContact OH-O 3.11Å; P521-Y606 WeakPolarHBondContact O-CA 3.5Å; P521-Y606 VanDerWaalsContact O-CB 3.29Å; P521-Y606 WeakPolarHBondContact O-CB 3.47Å; I523-Y606 HydrophobicContact CB-CD2 4.27Å; I523-Y606 HydrophobicContact CB-CE2 4.49Å; I523-Y606 HydrophobicContact CG1-CD2 3.45Å; I523-Y606 VanDerWaalsContact CG1-CD2 3.45Å; I523-Y606 HydrophobicContact CG1-CE2 3.81Å; I523-Y606 HydrophobicContact CG1-CG 3.98Å; V559-Y606 HydrophobicContact CG1-CD1 3.37Å; V559-Y606 HydrophobicContact CG1-CE1 3.47Å; V559-Y606 VanDerWaalsContact CG1-CE1 3.47Å; V559-Y606 HydrophobicContact CG1-CG 4.15Å; I561-Y606 HydrophobicContact CG1-CE1 4.44Å; I598-Y606 HydrophobicContact CG2-CE2 4.29Å; N599-Y606 HydrophobicContact CB-CE2 3.77Å; N599-Y606 WeakPolarHBondContact CB-OH 3.43Å; G604-Y606 VanDerWaalsContact C-N 3.31Å; G604-Y606 PolarHBondContact O-N 2.92Å; Y606-I608 HydrophobicContact CD2-CG1 3.98Å; Y606-I608 HydrophobicContact CE2-CD1 4.14Å; Y606-I608 HydrophobicContact CE2-CG1 3.91Å
607	R	98	Very high	94.9	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	158.4	173.6	-62.3	-163	170.5	-78.4	10.7	110.8	L425 D426 F520 P521 I522 I523 N637 D638 S641	L425-R607 HydrophobicContact CD1-CG 3.96Å; L425-R607 HydrophobicContact CD2-CG 4.46Å; D426-R607 IonicContact OD1-CZ 2.72Å; D426-R607 IonicContact OD1-NH2 2.95Å; D426-R607 PolarHBondContact OD1-NH2 3.35Å; F520-R607 HydrophobicContact CE2-CB 4.42Å; F520-R607 HydrophobicContact CE2-CG 3.73Å; F520-R607 HydrophobicContact CZ-CG 4.42Å; P521-R607 PolarHBondContact O-N 3.41Å; I522-R607 CarbonylContact C-O 3.49Å; I522-R607 WeakPolarHBondContact CA-O 3.46Å; I522-R607 HydrophobicContact CG1-CB 4.44Å; I523-R607 PolarHBondContact N-O 2.66Å; R607-N637 PolarHBondContact NH1-O 3.26Å; R607-N637 PolarHBondContact NH1-OD1 3.05Å; R607-N637 PolarHBondContact NH2-OD1 2.67Å; R607-D638 WeakPolarHBondContact CA-OD1 3.18Å; R607-D638 VanDerWaalsContact CB-OD1 3.29Å; R607-D638 WeakPolarHBondContact CB-OD1 3.22Å; R607-D638 WeakPolarHBondContact CG-OD1 3.28Å; R607-D638 IonicContact CZ-OD1 3.33Å; R607-D638 IonicContact NH1-OD1 3.64Å; R607-D638 PolarHBondContact NH1-OD1 2.95Å; R607-S641 PolarHBondContact NH2-OG 3.13Å
608	I	97.5	Very high	94.7	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.5	-175.2	-53.1	163.7	0	0	0	111.3	I523 V525 I598 N599 Y606 Y610 D638	I523-I608 CarbonylContact O-C 3.57Å; I523-I608 WeakPolarHBondContact O-CA 3.02Å; V525-I608 HydrophobicContact CG2-CG2 3.67Å; I598-I608 HydrophobicContact CB-CD1 3.84Å; I598-I608 HydrophobicContact CB-CG2 4.37Å; I598-I608 HydrophobicContact CG2-CD1 4.07Å; I598-I608 VanDerWaalsContact O-CD1 3.24Å; I598-I608 WeakPolarHBondContact O-CD1 3.26Å; N599-I608 HydrophobicContact CB-CD1 3.62Å; Y606-I608 HydrophobicContact CD2-CG1 3.98Å; Y606-I608 HydrophobicContact CE2-CD1 4.14Å; Y606-I608 HydrophobicContact CE2-CG1 3.91Å; I608-Y610 HydrophobicContact CB-CD2 4.5Å; I608-Y610 HydrophobicContact CB-CE2 3.94Å; I608-Y610 HydrophobicContact CG2-CD2 3.87Å; I608-Y610 HydrophobicContact CG2-CE1 4.16Å; I608-Y610 HydrophobicContact CG2-CE2 3.44Å; I608-Y610 VanDerWaalsContact CG2-CE2 3.44Å; I608-Y610 HydrophobicContact CG2-CG 4.37Å; I608-D638 PolarHBondContact N-OD2 2.85Å
609	Q	96.6	Very high	94.4	Very high	48 Å²	48	26.5 Å²	26.5	22%	0.224	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	108.1	167.8	-177.9	168.6	21.1	0	0	110	I522 I523 V524 V525 M647	I522-Q609 HydrophobicContact CD1-CB 3.7Å; I522-Q609 HydrophobicContact CG1-CB 4.32Å; I523-Q609 PolarHBondContact O-N 3.19Å; V524-Q609 HydrophobicContact CG1-CB 4.5Å; V524-Q609 HydrophobicContact CG2-CB 4.33Å; V525-Q609 PolarHBondContact N-O 2.74Å; Q609-M647 VanDerWaalsContact OE1-CE 3.28Å
610	Y	95.4	Very high	94.1	Very high	19 Å²	19	29.3 Å²	29.3	8%	0.075	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	144.2	170.2	-67.5	-82.6	0	0	0	110.9	I598 I608 M614 L618 L635	I598-Y610 HydrophobicContact CG1-CE1 4.07Å; I598-Y610 PolarHBondContact N-OH 3.08Å; I598-Y610 PolarHBondContact O-OH 3.28Å; I608-Y610 HydrophobicContact CB-CD2 4.5Å; I608-Y610 HydrophobicContact CB-CE2 3.94Å; I608-Y610 HydrophobicContact CG2-CD2 3.87Å; I608-Y610 HydrophobicContact CG2-CE1 4.16Å; I608-Y610 HydrophobicContact CG2-CE2 3.44Å; I608-Y610 VanDerWaalsContact CG2-CE2 3.44Å; I608-Y610 HydrophobicContact CG2-CG 4.37Å; Y610-M614 HydrophobicContact CD1-CB 3.89Å; Y610-M614 HydrophobicContact CD1-CE 4.01Å; Y610-M614 HydrophobicContact CD1-SD 4.15Å; Y610-M614 HydrophobicContact CE1-CE 4.25Å; Y610-M614 HydrophobicContact CG-CB 4.38Å; Y610-L618 HydrophobicContact CD1-CD1 4.32Å; Y610-L618 HydrophobicContact CD2-CD1 4.42Å; Y610-L618 HydrophobicContact CE1-CD1 4.23Å; Y610-L618 HydrophobicContact CE2-CD1 4.36Å; Y610-L618 HydrophobicContact CG-CD1 4.42Å; Y610-L635 HydrophobicContact CD2-CD1 4.06Å; Y610-L635 HydrophobicContact CE2-CD1 3.93Å
611	S	91.4	Very high	93.9	Very high	28 Å²	28	28.5 Å²	28.5	20%	0.196	17%	0.17	C	C	.	.			trans	-60.6	150.9	160.5	58.7	0	0	0	0	111.3	V525 S613 M614 L615	V525-S611 PolarHBondContact O-N 3.34Å; S611-S613 PolarHBondContact O-N 2.78Å; S611-S613 VanDerWaalsContact O-N 3.14Å; S611-M614 WeakPolarHBondContact O-CB 3.27Å; S611-M614 PolarHBondContact O-N 3Å; S611-M614 WeakPolarHBondContact OG-CG 3.38Å; S611-L615 PolarHBondContact O-N 2.91Å
612	S	88.8	Confident	93.8	Very high	86 Å²	86	27.8 Å²	27.8	60%	0.601	16%	0.162	S	C	*	.	H	α-helix	trans	-57	-34.9	-172.6	-49	0	0	0	0	113.7	L615 E616	S612-L615 PolarHBondContact O-N 3.35Å; S612-E616 WeakPolarHBondContact O-CG 3.49Å; S612-E616 PolarHBondContact O-N 3.39Å
613	S	89.6	Confident	93.6	Very high	66 Å²	66	33.5 Å²	33.5	46%	0.462	18%	0.183	S	C	.	.	H	α-helix	trans	-71.6	-27	177.5	61	0	0	0	0	113.6	S611 S617	S611-S613 PolarHBondContact O-N 2.78Å; S611-S613 VanDerWaalsContact O-N 3.14Å; S613-S617 PolarHBondContact O-N 3.37Å
614	M	92.7	Very high	93.5	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-74.8	-37.2	169.5	-68.3	-178.1	85.6	0	0	111.3	V525 Q527 L536 I596 Y610 S611 S617 L618	V525-M614 HydrophobicContact CB-SD 4.47Å; V525-M614 HydrophobicContact CG1-CE 3.77Å; V525-M614 HydrophobicContact CG1-SD 3.78Å; Q527-M614 HydrophobicContact CB-CE 4.42Å; Q527-M614 HydrophobicContact CB-CG 4.42Å; Q527-M614 HydrophobicContact CB-SD 3.91Å; Q527-M614 HydrophobicContact CG-CG 3.65Å; Q527-M614 HydrophobicContact CG-SD 3.77Å; L536-M614 HydrophobicContact CD2-CE 4.16Å; I596-M614 HydrophobicContact CB-CE 4.08Å; I596-M614 HydrophobicContact CG2-CE 4.41Å; Y610-M614 HydrophobicContact CD1-CB 3.89Å; Y610-M614 HydrophobicContact CD1-CE 4.01Å; Y610-M614 HydrophobicContact CD1-SD 4.15Å; Y610-M614 HydrophobicContact CE1-CE 4.25Å; Y610-M614 HydrophobicContact CG-CB 4.38Å; S611-M614 WeakPolarHBondContact O-CB 3.27Å; S611-M614 PolarHBondContact O-N 3Å; S611-M614 WeakPolarHBondContact OG-CG 3.38Å; M614-S617 PolarHBondContact O-N 3.13Å; M614-S617 PolarHBondContact O-OG 2.77Å; M614-S617 VanDerWaalsContact O-OG 3.14Å; M614-L618 WeakPolarHBondContact O-CD1 3.25Å; M614-L618 VanDerWaalsContact O-CG 3.31Å; M614-L618 WeakPolarHBondContact O-CG 3.32Å; M614-L618 PolarHBondContact O-N 3.25Å
615	L	90.7	Very high	93.3	Very high	33 Å²	33	40 Å²	40	17%	0.173	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-44.1	174.4	-179.4	55.3	0	0	0	111.2	S611 S612 S617 L618 L619 L635 L639	S611-L615 PolarHBondContact O-N 2.91Å; S612-L615 PolarHBondContact O-N 3.35Å; L615-S617 PolarHBondContact O-N 3.1Å; L615-L618 PolarHBondContact O-N 3.07Å; L615-L619 WeakPolarHBondContact O-CG 3.3Å; L615-L619 PolarHBondContact O-N 3.47Å; L615-L635 HydrophobicContact CD1-CD1 4.38Å; L615-L639 HydrophobicContact CD1-CD1 3.53Å; L615-L639 HydrophobicContact CD1-CD2 4.45Å; L615-L639 HydrophobicContact CD2-CD1 4.22Å; L615-L639 HydrophobicContact CD2-CD2 4.02Å
616	E	89.8	Confident	93.1	Very high	136 Å²	136	42 Å²	42	64%	0.636	23%	0.23	S	C	*	.	H	α-helix	trans	-60.3	-40.5	175.9	-75.7	-176.6	163.8	0	0	112.9	S612 L618 L619 P620	S612-E616 WeakPolarHBondContact O-CG 3.49Å; S612-E616 PolarHBondContact O-N 3.39Å; E616-L618 VanDerWaalsContact C-N 3.29Å; E616-L618 PolarHBondContact O-N 3.02Å; E616-L619 WeakPolarHBondContact O-CB 3.29Å; E616-L619 PolarHBondContact O-N 3.18Å; E616-P620 WeakPolarHBondContact O-CD 3.22Å
617	S	91.6	Very high	92.9	Very high	30 Å²	30	42 Å²	42	21%	0.21	23%	0.231	C	C	.	.	H	α-helix	trans	-71.9	-20.3	178.7	73.1	0	0	0	0	113.9	W595 S613 M614 L615 P620	W595-S617 WeakPolarHBondContact CB-O 3.45Å; S613-S617 PolarHBondContact O-N 3.37Å; M614-S617 PolarHBondContact O-N 3.13Å; M614-S617 PolarHBondContact O-OG 2.77Å; M614-S617 VanDerWaalsContact O-OG 3.14Å; L615-S617 PolarHBondContact O-N 3.1Å; S617-P620 WeakPolarHBondContact O-CD 3.48Å
618	L	92.7	Very high	92.8	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-78.5	-21.6	172.1	-69.1	163.6	0	0	0	113	W595 Y610 M614 L615 E616 G621 I622 L627 L635	W595-L618 HydrophobicContact CB-CD2 3.92Å; W595-L618 HydrophobicContact CB-CG 4.38Å; W595-L618 HydrophobicContact CD2-CD2 4.12Å; W595-L618 HydrophobicContact CE3-CD2 3.95Å; W595-L618 HydrophobicContact CG-CD2 4.14Å; Y610-L618 HydrophobicContact CD1-CD1 4.32Å; Y610-L618 HydrophobicContact CD2-CD1 4.42Å; Y610-L618 HydrophobicContact CE1-CD1 4.23Å; Y610-L618 HydrophobicContact CE2-CD1 4.36Å; Y610-L618 HydrophobicContact CG-CD1 4.42Å; M614-L618 WeakPolarHBondContact O-CD1 3.25Å; M614-L618 VanDerWaalsContact O-CG 3.31Å; M614-L618 WeakPolarHBondContact O-CG 3.32Å; M614-L618 PolarHBondContact O-N 3.25Å; L615-L618 PolarHBondContact O-N 3.07Å; E616-L618 VanDerWaalsContact C-N 3.29Å; E616-L618 PolarHBondContact O-N 3.02Å; L618-G621 PolarHBondContact O-N 2.9Å; L618-G621 VanDerWaalsContact O-N 3.12Å; L618-I622 PolarHBondContact O-N 3.3Å; L618-L627 HydrophobicContact CD2-CD1 3.98Å; L618-L627 HydrophobicContact CD2-CD2 4.18Å; L618-L635 HydrophobicContact CB-CD2 4.07Å; L618-L635 HydrophobicContact CD1-CD1 4.26Å; L618-L635 HydrophobicContact CD1-CD2 4.1Å
619	L	91.3	Very high	92.7	Very high	36 Å²	36	45.9 Å²	45.9	19%	0.188	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-39.3	-177.1	-61.7	-179.8	0	0	0	115.1	L615 E616 G621 I622 R623 L656	L615-L619 WeakPolarHBondContact O-CG 3.3Å; L615-L619 PolarHBondContact O-N 3.47Å; E616-L619 WeakPolarHBondContact O-CB 3.29Å; E616-L619 PolarHBondContact O-N 3.18Å; L619-G621 VanDerWaalsContact C-N 3.31Å; L619-G621 PolarHBondContact O-N 2.96Å; L619-I622 HydrophobicContact CD2-CD1 4.29Å; L619-I622 PolarHBondContact O-N 2.93Å; L619-R623 WeakPolarHBondContact O-CG 3.09Å; L619-R623 PolarHBondContact O-N 3.18Å; L619-L656 HydrophobicContact CD2-CD1 3.56Å
620	P	91.3	Very high	92.7	Very high	64 Å²	64	44.5 Å²	44.5	42%	0.416	25%	0.247	S	C	.	.	H	α-helix	trans	-55.5	-46.2	170.2	-25.9	35.1	0	0	0	112	E616 S617 I622 R623 D624	E616-P620 WeakPolarHBondContact O-CD 3.22Å; S617-P620 WeakPolarHBondContact O-CD 3.48Å; P620-I622 PolarHBondContact O-N 3.48Å; P620-R623 PolarHBondContact O-N 3.39Å; P620-D624 PolarHBondContact O-N 3.46Å
621	G	92.3	Very high	92.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66	-19	-177.2	0	0	0	0	0	115.3	L618 L619 D624 L625 S626 L627	L618-G621 PolarHBondContact O-N 2.9Å; L618-G621 VanDerWaalsContact O-N 3.12Å; L619-G621 VanDerWaalsContact C-N 3.31Å; L619-G621 PolarHBondContact O-N 2.96Å; G621-D624 WeakPolarHBondContact CA-OD1 3.48Å; G621-L625 PolarHBondContact O-N 3.21Å; G621-S626 WeakPolarHBondContact CA-OG 3.31Å; G621-S626 PolarHBondContact O-N 3.02Å; G621-L627 PolarHBondContact O-N 2.97Å
622	I	93.6	Very high	93	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-76.4	-47.4	166.8	-60	171.8	0	0	0	110.2	L618 L619 P620 L625 L635 L656 A659 F660	L618-I622 PolarHBondContact O-N 3.3Å; L619-I622 HydrophobicContact CD2-CD1 4.29Å; L619-I622 PolarHBondContact O-N 2.93Å; P620-I622 PolarHBondContact O-N 3.48Å; I622-L625 PolarHBondContact O-N 3.31Å; I622-L635 HydrophobicContact CD1-CD2 4.09Å; I622-L656 HydrophobicContact CD1-CD1 3.78Å; I622-A659 HydrophobicContact CG2-CB 4.42Å; I622-F660 HydrophobicContact CD1-CE2 4.17Å; I622-F660 HydrophobicContact CD1-CZ 4.28Å; I622-F660 HydrophobicContact CG2-CD1 4.11Å; I622-F660 HydrophobicContact CG2-CD2 4.06Å; I622-F660 HydrophobicContact CG2-CE1 4.07Å; I622-F660 HydrophobicContact CG2-CE2 4Å; I622-F660 HydrophobicContact CG2-CG 4.11Å; I622-F660 HydrophobicContact CG2-CZ 4.01Å
623	R	92.1	Very high	93.3	Very high	124 Å²	124	38.7 Å²	38.7	47%	0.468	21%	0.208	S	C	.	.	H	α-helix	trans	-72.3	-33.9	-172.9	-66.9	176.9	-177.3	124.3	1	113.9	L619 P620 A659 N662	L619-R623 WeakPolarHBondContact O-CG 3.09Å; L619-R623 PolarHBondContact O-N 3.18Å; P620-R623 PolarHBondContact O-N 3.39Å; R623-A659 HydrophobicContact CG-CB 4.23Å; R623-N662 PolarHBondContact O-ND2 2.95Å
624	D	93.4	Very high	93.6	Very high	99 Å²	99	35.7 Å²	35.7	53%	0.529	19%	0.187	S	C	.	.	S	Bend	trans	-94.1	-3.9	176.8	68	28.2	0	0	0	113.9	P620 G621 S626	P620-D624 PolarHBondContact O-N 3.46Å; G621-D624 WeakPolarHBondContact CA-OD1 3.48Å; D624-S626 VanDerWaalsContact C-N 3.31Å; D624-S626 PolarHBondContact O-N 2.92Å; D624-S626 WeakPolarHBondContact OD1-CB 3.14Å; D624-S626 PolarHBondContact OD1-N 2.89Å; D624-S626 PolarHBondContact OD1-OG 2.84Å
625	L	94.9	Very high	93.8	Very high	61 Å²	61	35.7 Å²	35.7	32%	0.319	19%	0.187	S	C	.	.	S	Bend	trans	66.1	19.3	179.7	-48.9	171.1	0	0	0	115.3	G621 I622 R632 P664	G621-L625 PolarHBondContact O-N 3.21Å; I622-L625 PolarHBondContact O-N 3.31Å; L625-R632 PolarHBondContact O-NH1 3.11Å; L625-P664 HydrophobicContact CD1-CG 4.13Å
626	S	93.6	Very high	94	Very high	42 Å²	42	34.2 Å²	34.2	29%	0.294	18%	0.179	S	C	.	.			trans	-73.6	-29.3	176.7	60.3	0	0	0	0	114.6	P569 G621 D624 Q628	P569-S626 WeakPolarHBondContact CB-O 3.24Å; G621-S626 WeakPolarHBondContact CA-OG 3.31Å; G621-S626 PolarHBondContact O-N 3.02Å; D624-S626 VanDerWaalsContact C-N 3.31Å; D624-S626 PolarHBondContact O-N 2.92Å; D624-S626 WeakPolarHBondContact OD1-CB 3.14Å; D624-S626 PolarHBondContact OD1-N 2.89Å; D624-S626 PolarHBondContact OD1-OG 2.84Å; S626-Q628 PolarHBondContact O-NE2 2.67Å
627	L	94.4	Very high	94.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.149	C	C	.	.	S	Bend	trans	-63.9	142.5	161.7	-99.8	78.8	0	0	0	109	W595 L618 G621 D631 R632 L635	W595-L627 HydrophobicContact CD2-CD1 3.78Å; W595-L627 VanDerWaalsContact CE2-CD1 3.45Å; W595-L627 HydrophobicContact CE3-CD1 4.12Å; W595-L627 HydrophobicContact CG-CD1 4.37Å; W595-L627 HydrophobicContact CH2-CD1 3.99Å; W595-L627 HydrophobicContact CH2-CG 4.26Å; W595-L627 HydrophobicContact CZ2-CD1 3.57Å; W595-L627 HydrophobicContact CZ2-CG 4.23Å; W595-L627 HydrophobicContact CZ3-CD1 4.24Å; L618-L627 HydrophobicContact CD2-CD1 3.98Å; L618-L627 HydrophobicContact CD2-CD2 4.18Å; G621-L627 PolarHBondContact O-N 2.97Å; L627-D631 HydrophobicContact CD2-CB 4.39Å; L627-R632 HydrophobicContact CB-CG 3.58Å; L627-R632 HydrophobicContact CD2-CG 4.3Å; L627-R632 PolarHBondContact O-NH1 2.8Å; L627-L635 HydrophobicContact CD2-CD2 4.28Å
628	Q	94.9	Very high	94.5	Very high	47 Å²	47	26.8 Å²	26.8	22%	0.22	14%	0.142	C	C	.	.			trans	-68.8	150.6	176.5	-55.9	-52.9	-79.5	0	0	111.4	K570 S626 V630 D631 R632	K570-Q628 HydrophobicContact CG-CG 4.33Å; S626-Q628 PolarHBondContact O-NE2 2.67Å; Q628-V630 VanDerWaalsContact C-N 3.3Å; Q628-V630 HydrophobicContact CB-CG1 4.29Å; Q628-V630 PolarHBondContact O-N 3.32Å; Q628-D631 WeakPolarHBondContact O-CA 3Å; Q628-D631 WeakPolarHBondContact O-CB 3.47Å; Q628-D631 PolarHBondContact O-N 2.93Å; Q628-R632 PolarHBondContact O-N 2.99Å
629	P	95.5	Very high	94.7	Very high	38 Å²	38	27.2 Å²	27.2	25%	0.247	14%	0.144	C	C	.	.	H	α-helix	trans	-54.5	-43.6	-175.6	-25.6	33.5	0	0	0	113.6	D631 R632 L633 N665 V668	P629-D631 VanDerWaalsContact C-N 3.26Å; P629-D631 PolarHBondContact O-N 3.5Å; P629-R632 PolarHBondContact O-N 3.17Å; P629-L633 WeakPolarHBondContact O-CB 3.19Å; P629-L633 PolarHBondContact O-N 2.95Å; P629-N665 HydrophobicContact CB-CB 4.05Å; P629-V668 HydrophobicContact CB-CG2 4.14Å; P629-V668 WeakPolarHBondContact O-CG2 3.37Å
630	V	96.2	Very high	95	Very high	20 Å²	20	25.8 Å²	25.8	12%	0.121	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-26.6	175.9	64.4	0	0	0	0	113.9	T414 V417 G601 T602 Q628 G634	T414-V630 HydrophobicContact CG2-CB 4.2Å; V417-V630 HydrophobicContact CG2-CG2 3.61Å; G601-V630 WeakPolarHBondContact O-CG2 3.33Å; T602-V630 PolarHBondContact OG1-O 3.19Å; Q628-V630 VanDerWaalsContact C-N 3.3Å; Q628-V630 HydrophobicContact CB-CG1 4.29Å; Q628-V630 PolarHBondContact O-N 3.32Å; V630-G634 PolarHBondContact O-N 3.48Å
631	D	96.6	Very high	95.2	Very high	5 Å²	5	23 Å²	23	3%	0.027	12%	0.119	C	C	.	.	H	α-helix	trans	-84.1	-33.7	175.2	-77.1	-64.7	0	0	0	112.3	K597 P600 G601 L627 Q628 P629 L633 L635	K597-D631 HydrophobicContact CD-CB 4.47Å; K597-D631 WeakPolarHBondContact CE-OD1 3.3Å; K597-D631 HydrophobicContact CG-CB 4.29Å; K597-D631 IonicContact NZ-OD1 2.6Å; K597-D631 PolarHBondContact NZ-OD1 2.87Å; P600-D631 VanDerWaalsContact CA-OD1 3.27Å; P600-D631 WeakPolarHBondContact CA-OD1 3.39Å; G601-D631 VanDerWaalsContact N-CG 3.34Å; G601-D631 PolarHBondContact N-OD1 2.78Å; G601-D631 PolarHBondContact N-OD2 3.03Å; L627-D631 HydrophobicContact CD2-CB 4.39Å; Q628-D631 WeakPolarHBondContact O-CA 3Å; Q628-D631 WeakPolarHBondContact O-CB 3.47Å; Q628-D631 PolarHBondContact O-N 2.93Å; P629-D631 VanDerWaalsContact C-N 3.26Å; P629-D631 PolarHBondContact O-N 3.5Å; D631-L633 VanDerWaalsContact C-N 3.34Å; D631-L635 VanDerWaalsContact O-CB 3.27Å; D631-L635 WeakPolarHBondContact O-CB 3.45Å; D631-L635 PolarHBondContact O-N 2.73Å
632	R	96.7	Very high	95.5	Very high	6 Å²	6	23.1 Å²	23.1	2%	0.023	12%	0.119	C	C	.	.	H	α-helix	trans	-65.9	-38.8	169.1	-56.9	-169.8	-59	-103.4	8	110.8	L625 L627 Q628 P629 Q636 F660 E663	L625-R632 PolarHBondContact O-NH1 3.11Å; L627-R632 HydrophobicContact CB-CG 3.58Å; L627-R632 HydrophobicContact CD2-CG 4.3Å; L627-R632 PolarHBondContact O-NH1 2.8Å; Q628-R632 PolarHBondContact O-N 2.99Å; P629-R632 PolarHBondContact O-N 3.17Å; R632-Q636 PolarHBondContact O-N 2.99Å; R632-Q636 VanDerWaalsContact O-N 3.14Å; R632-F660 HydrophobicContact CB-CE1 3.86Å; R632-F660 HydrophobicContact CB-CZ 4.25Å; R632-E663 IonicContact CZ-OE1 2.8Å; R632-E663 IonicContact CZ-OE2 3.29Å; R632-E663 IonicContact NE-OE2 2.62Å; R632-E663 PolarHBondContact NE-OE2 3.44Å; R632-E663 IonicContact NH2-OE1 3.29Å; R632-E663 PolarHBondContact NH2-OE1 3.14Å; R632-E663 IonicContact NH2-OE2 2.69Å; R632-E663 PolarHBondContact NH2-OE2 2.98Å
633	L	96.1	Very high	95.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.6	-56.8	172.8	-160.6	171.9	0	0	0	111.2	T414 V417 P629 D631 L635 Q636 N637 T667 V668 D671	T414-L633 HydrophobicContact CG2-CD1 4.1Å; V417-L633 HydrophobicContact CB-CD1 4.43Å; V417-L633 HydrophobicContact CB-CD2 4.33Å; V417-L633 HydrophobicContact CG1-CD2 3.84Å; P629-L633 WeakPolarHBondContact O-CB 3.19Å; P629-L633 PolarHBondContact O-N 2.95Å; D631-L633 VanDerWaalsContact C-N 3.34Å; L633-L635 VanDerWaalsContact C-N 3.26Å; L633-L635 PolarHBondContact O-N 3.23Å; L633-Q636 WeakPolarHBondContact O-CG 3.19Å; L633-Q636 PolarHBondContact O-N 3.37Å; L633-N637 HydrophobicContact CD2-CB 4.49Å; L633-N637 WeakPolarHBondContact O-CB 3.27Å; L633-N637 PolarHBondContact O-N 3.29Å; L633-T667 HydrophobicContact CD1-CG2 3.6Å; L633-V668 HydrophobicContact CB-CG2 4.28Å; L633-D671 HydrophobicContact CD2-CB 4.04Å; L633-D671 HydrophobicContact CG-CB 4.1Å
634	G	96.1	Very high	95.8	Very high	3 Å²	3	18.9 Å²	18.9	3%	0.031	10%	0.103	C	C	.	.	H	α-helix	trans	-56	-40.4	179.2	0	0	0	0	0	112.9	V630 N637 D638	V630-G634 PolarHBondContact O-N 3.48Å; G634-N637 PolarHBondContact O-N 3.23Å; G634-D638 WeakPolarHBondContact O-CB 3.44Å; G634-D638 PolarHBondContact O-N 2.58Å
635	L	95.6	Very high	96	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-64.8	-44.8	178.2	-177	61.2	0	0	0	113.1	Y610 L615 L618 I622 L627 D631 L633 N637 L639	Y610-L635 HydrophobicContact CD2-CD1 4.06Å; Y610-L635 HydrophobicContact CE2-CD1 3.93Å; L615-L635 HydrophobicContact CD1-CD1 4.38Å; L618-L635 HydrophobicContact CB-CD2 4.07Å; L618-L635 HydrophobicContact CD1-CD1 4.26Å; L618-L635 HydrophobicContact CD1-CD2 4.1Å; I622-L635 HydrophobicContact CD1-CD2 4.09Å; L627-L635 HydrophobicContact CD2-CD2 4.28Å; D631-L635 VanDerWaalsContact O-CB 3.27Å; D631-L635 WeakPolarHBondContact O-CB 3.45Å; D631-L635 PolarHBondContact O-N 2.73Å; L633-L635 VanDerWaalsContact C-N 3.26Å; L633-L635 PolarHBondContact O-N 3.23Å; L635-N637 VanDerWaalsContact C-N 3.32Å; L635-N637 PolarHBondContact O-N 2.93Å; L635-L639 HydrophobicContact CD1-CD1 3.79Å; L635-L639 HydrophobicContact CD1-CG 4.36Å; L635-L639 HydrophobicContact CG-CD1 3.95Å; L635-L639 WeakPolarHBondContact O-CB 3.03Å; L635-L639 WeakPolarHBondContact O-CD1 3.38Å; L635-L639 VanDerWaalsContact O-CG 3.22Å; L635-L639 WeakPolarHBondContact O-CG 3.39Å; L635-L639 PolarHBondContact O-N 3.32Å
636	Q	95.3	Very high	96	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.009	8%	0.084	C	C	.	.	H	α-helix	trans	-66.5	-36.2	175.8	65	161.9	-43.6	0	0	112.1	R632 L633 L639 F640 L656 F660 V668 L672	R632-Q636 PolarHBondContact O-N 2.99Å; R632-Q636 VanDerWaalsContact O-N 3.14Å; L633-Q636 WeakPolarHBondContact O-CG 3.19Å; L633-Q636 PolarHBondContact O-N 3.37Å; Q636-L639 PolarHBondContact O-N 3.11Å; Q636-F640 VanDerWaalsContact O-CB 3.28Å; Q636-F640 WeakPolarHBondContact O-CB 3.48Å; Q636-F640 PolarHBondContact O-N 3.28Å; Q636-L656 HydrophobicContact CB-CD2 4.25Å; Q636-F660 HydrophobicContact CB-CE2 4.22Å; Q636-F660 HydrophobicContact CB-CZ 4.01Å; Q636-F660 HydrophobicContact CG-CZ 4.37Å; Q636-V668 PolarHBondContact NE2-O 3.35Å; Q636-L672 VanDerWaalsContact OE1-CG 3.23Å
637	N	95.6	Very high	96	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-71	-42.9	-175.4	-168.5	-85	0	0	0	111.2	T422 R607 L633 G634 L635 F640 S641 D671	T422-N637 WeakPolarHBondContact CG2-ND2 3.46Å; T422-N637 VanDerWaalsContact OG1-CG 3.3Å; T422-N637 PolarHBondContact OG1-ND2 3.45Å; T422-N637 PolarHBondContact OG1-OD1 3.02Å; R607-N637 PolarHBondContact NH1-O 3.26Å; R607-N637 PolarHBondContact NH1-OD1 3.05Å; R607-N637 PolarHBondContact NH2-OD1 2.67Å; L633-N637 HydrophobicContact CD2-CB 4.49Å; L633-N637 WeakPolarHBondContact O-CB 3.27Å; L633-N637 PolarHBondContact O-N 3.29Å; G634-N637 PolarHBondContact O-N 3.23Å; L635-N637 VanDerWaalsContact C-N 3.32Å; L635-N637 PolarHBondContact O-N 2.93Å; N637-F640 PolarHBondContact O-N 2.87Å; N637-S641 PolarHBondContact O-N 2.92Å; N637-D671 PolarHBondContact ND2-OD1 3.38Å; N637-D671 PolarHBondContact ND2-OD2 2.91Å
638	D	97	Very high	96	Very high	9 Å²	9	15 Å²	15	5%	0.048	9%	0.088	C	C	.	.	H	α-helix	trans	-59.3	-50.6	171.5	-83.5	-8	0	0	0	111.5	R607 I608 G634 F640 S641 L642	R607-D638 WeakPolarHBondContact CA-OD1 3.18Å; R607-D638 VanDerWaalsContact CB-OD1 3.29Å; R607-D638 WeakPolarHBondContact CB-OD1 3.22Å; R607-D638 WeakPolarHBondContact CG-OD1 3.28Å; R607-D638 IonicContact CZ-OD1 3.33Å; R607-D638 IonicContact NH1-OD1 3.64Å; R607-D638 PolarHBondContact NH1-OD1 2.95Å; I608-D638 PolarHBondContact N-OD2 2.85Å; G634-D638 WeakPolarHBondContact O-CB 3.44Å; G634-D638 PolarHBondContact O-N 2.58Å; D638-F640 VanDerWaalsContact C-N 3.31Å; D638-F640 PolarHBondContact O-N 3.16Å; D638-S641 PolarHBondContact O-N 2.89Å; D638-L642 VanDerWaalsContact O-CB 3.32Å; D638-L642 WeakPolarHBondContact O-CB 3.34Å; D638-L642 WeakPolarHBondContact O-CG 3.46Å; D638-L642 PolarHBondContact O-N 3.35Å
639	L	96.1	Very high	95.9	Very high	9 Å²	9	14.2 Å²	14.2	5%	0.047	9%	0.088	C	C	.	.	H	α-helix	trans	-64.1	-37	-179.2	-65.9	166.4	0	0	0	111.8	L615 L635 Q636 L642 S643 I648 V653 L656	L615-L639 HydrophobicContact CD1-CD1 3.53Å; L615-L639 HydrophobicContact CD1-CD2 4.45Å; L615-L639 HydrophobicContact CD2-CD1 4.22Å; L615-L639 HydrophobicContact CD2-CD2 4.02Å; L635-L639 HydrophobicContact CD1-CD1 3.79Å; L635-L639 HydrophobicContact CD1-CG 4.36Å; L635-L639 HydrophobicContact CG-CD1 3.95Å; L635-L639 WeakPolarHBondContact O-CB 3.03Å; L635-L639 WeakPolarHBondContact O-CD1 3.38Å; L635-L639 VanDerWaalsContact O-CG 3.22Å; L635-L639 WeakPolarHBondContact O-CG 3.39Å; L635-L639 PolarHBondContact O-N 3.32Å; Q636-L639 PolarHBondContact O-N 3.11Å; L639-L642 HydrophobicContact CD2-CD1 4.34Å; L639-L642 PolarHBondContact O-N 3.19Å; L639-S643 PolarHBondContact O-N 3.12Å; L639-I648 HydrophobicContact CB-CD1 3.98Å; L639-I648 HydrophobicContact CD2-CD1 3.64Å; L639-I648 HydrophobicContact CG-CD1 4.43Å; L639-I648 WeakPolarHBondContact O-CD1 3.3Å; L639-V653 HydrophobicContact CB-CG2 4.33Å; L639-V653 VanDerWaalsContact O-CG2 3.32Å; L639-V653 WeakPolarHBondContact O-CG2 3.49Å; L639-L656 HydrophobicContact CB-CD2 4.25Å; L639-L656 HydrophobicContact CD1-CD1 4.36Å; L639-L656 HydrophobicContact CD1-CD2 3.52Å
640	F	97	Very high	95.9	Very high	6 Å²	6	12.4 Å²	12.4	3%	0.026	8%	0.076	C	C	.	.	H	α-helix	trans	-60.2	-52.8	172.9	-173.4	-104.4	0	0	0	111.8	Q636 N637 D638 L642 S643 R644 V653 M657 N675 V678 L679 W914	Q636-F640 VanDerWaalsContact O-CB 3.28Å; Q636-F640 WeakPolarHBondContact O-CB 3.48Å; Q636-F640 PolarHBondContact O-N 3.28Å; N637-F640 PolarHBondContact O-N 2.87Å; D638-F640 VanDerWaalsContact C-N 3.31Å; D638-F640 PolarHBondContact O-N 3.16Å; F640-L642 VanDerWaalsContact C-N 3.34Å; F640-L642 PolarHBondContact O-N 3.03Å; F640-S643 PolarHBondContact O-N 3.08Å; F640-S643 VanDerWaalsContact O-N 3.11Å; F640-S643 PolarHBondContact O-OG 3.46Å; F640-R644 PolarHBondContact O-N 3.34Å; F640-V653 HydrophobicContact CB-CG1 4.41Å; F640-V653 HydrophobicContact CD2-CG1 4.14Å; F640-M657 HydrophobicContact CD2-CE 4.29Å; F640-N675 HydrophobicContact CD1-CB 4.11Å; F640-N675 WeakPolarHBondContact CD1-OD1 3.46Å; F640-N675 HydrophobicContact CD2-CB 3.67Å; F640-N675 HydrophobicContact CE1-CB 4.09Å; F640-N675 HydrophobicContact CE2-CB 3.64Å; F640-N675 HydrophobicContact CG-CB 3.9Å; F640-N675 HydrophobicContact CZ-CB 3.86Å; F640-N675 WeakPolarHBondContact CZ-O 3.42Å; F640-V678 HydrophobicContact CE1-CB 4.45Å; F640-V678 HydrophobicContact CE1-CG1 4.44Å; F640-V678 HydrophobicContact CZ-CB 3.99Å; F640-V678 HydrophobicContact CZ-CG1 4.06Å; F640-L679 HydrophobicContact CE2-CD1 3.88Å; F640-L679 HydrophobicContact CE2-CG 3.85Å; F640-L679 HydrophobicContact CZ-CG 4.34Å; F640-W914 HydrophobicContact CE1-CH2 4.28Å; F640-W914 AromaticContact CE2-CH2 3.99Å; F640-W914 HydrophobicContact CE2-CH2 3.99Å; F640-W914 AromaticContact CZ-CH2 3.67Å; F640-W914 HydrophobicContact CZ-CH2 3.67Å; F640-W914 HydrophobicContact CZ-CZ3 4.48Å
641	S	97.1	Very high	95.9	Very high	7 Å²	7	12.2 Å²	12.2	5%	0.049	8%	0.075	C	C	.	.	H	α-helix	trans	-69.4	-28.4	179.9	-72.2	0	0	0	0	113.5	D426 R607 N637 D638 R644 A645	D426-S641 PolarHBondContact OD1-OG 3.47Å; R607-S641 PolarHBondContact NH2-OG 3.13Å; N637-S641 PolarHBondContact O-N 2.92Å; D638-S641 PolarHBondContact O-N 2.89Å; S641-R644 PolarHBondContact O-N 3.45Å; S641-A645 WeakPolarHBondContact O-CB 3.12Å; S641-A645 PolarHBondContact O-N 2.62Å
642	L	97.3	Very high	95.6	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-65.2	-38.3	168.8	-71.7	168.3	0	0	0	112	I522 F543 D638 L639 F640 G646 M647 I648	I522-L642 HydrophobicContact CD1-CD2 3.46Å; I522-L642 VanDerWaalsContact CD1-CD2 3.46Å; F543-L642 HydrophobicContact CE2-CD2 4Å; D638-L642 VanDerWaalsContact O-CB 3.32Å; D638-L642 WeakPolarHBondContact O-CB 3.34Å; D638-L642 WeakPolarHBondContact O-CG 3.46Å; D638-L642 PolarHBondContact O-N 3.35Å; L639-L642 HydrophobicContact CD2-CD1 4.34Å; L639-L642 PolarHBondContact O-N 3.19Å; F640-L642 VanDerWaalsContact C-N 3.34Å; F640-L642 PolarHBondContact O-N 3.03Å; L642-G646 PolarHBondContact O-N 3.29Å; L642-G646 VanDerWaalsContact O-N 3.1Å; L642-M647 HydrophobicContact CB-CB 4.29Å; L642-M647 HydrophobicContact CD2-CB 3.88Å; L642-M647 HydrophobicContact CD2-CE 3.87Å; L642-M647 HydrophobicContact CD2-CG 4.25Å; L642-M647 HydrophobicContact CD2-SD 3.54Å; L642-M647 VanDerWaalsContact CD2-SD 3.54Å; L642-M647 PolarHBondContact O-N 3.04Å; L642-I648 HydrophobicContact CB-CD1 4.21Å; L642-I648 HydrophobicContact CB-CG1 3.99Å; L642-I648 PolarHBondContact O-N 3.22Å
643	S	96.6	Very high	95.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-68	-42.5	174.1	74.9	0	0	0	0	111.7	L639 F640 A645 G646 R917	L639-S643 PolarHBondContact O-N 3.12Å; F640-S643 PolarHBondContact O-N 3.08Å; F640-S643 VanDerWaalsContact O-N 3.11Å; F640-S643 PolarHBondContact O-OG 3.46Å; S643-A645 PolarHBondContact O-N 2.88Å; S643-G646 PolarHBondContact O-N 3.33Å; S643-R917 PolarHBondContact O-NH2 2.9Å
644	R	95.9	Very high	95.4	Very high	37 Å²	37	15.8 Å²	15.8	14%	0.14	9%	0.092	C	C	.	.	H	α-helix	trans	-54.7	-51.5	172.4	-174	171.3	-171.7	-130.3	-5.5	111.3	F640 S641 G646 N907 N911 W914 R917	F640-R644 PolarHBondContact O-N 3.34Å; S641-R644 PolarHBondContact O-N 3.45Å; R644-G646 PolarHBondContact O-N 3.47Å; R644-G646 VanDerWaalsContact O-N 3.15Å; R644-N907 PolarHBondContact NH2-OD1 3.01Å; R644-N911 PolarHBondContact NH2-OD1 2.96Å; R644-W914 HydrophobicContact CB-CD2 4.4Å; R644-W914 HydrophobicContact CB-CE3 4.18Å; R644-W914 HydrophobicContact CB-CH2 4.06Å; R644-W914 HydrophobicContact CB-CZ2 4.3Å; R644-W914 HydrophobicContact CB-CZ3 4.01Å; R644-W914 HydrophobicContact CG-CD2 4.23Å; R644-W914 HydrophobicContact CG-CE3 3.69Å; R644-W914 HydrophobicContact CG-CH2 4.31Å; R644-W914 HydrophobicContact CG-CZ3 3.74Å; R644-R917 PolarHBondContact O-NH1 3.1Å
645	A	96.6	Very high	95	Very high	9 Å²	9	21 Å²	21	7%	0.074	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-4	176.8	0	0	0	0	0	115.2	F543 A545 S641 S643 M647	F543-A645 HydrophobicContact CE2-CB 4.17Å; F543-A645 HydrophobicContact CZ-CB 3.95Å; A545-A645 WeakPolarHBondContact O-CA 3.4Å; S641-A645 WeakPolarHBondContact O-CB 3.12Å; S641-A645 PolarHBondContact O-N 2.62Å; S643-A645 PolarHBondContact O-N 2.88Å; A645-M647 VanDerWaalsContact C-N 3.33Å; A645-M647 HydrophobicContact CB-CG 4.21Å; A645-M647 HydrophobicContact CB-SD 4.4Å; A645-M647 PolarHBondContact O-N 3.26Å
646	G	95.6	Very high	94.8	Very high	38 Å²	38	21.4 Å²	21.4	39%	0.392	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	22.2	177.4	0	0	0	0	0	114.8	L642 S643 R644 R917	L642-G646 PolarHBondContact O-N 3.29Å; L642-G646 VanDerWaalsContact O-N 3.1Å; S643-G646 PolarHBondContact O-N 3.33Å; R644-G646 PolarHBondContact O-N 3.47Å; R644-G646 VanDerWaalsContact O-N 3.15Å; G646-R917 VanDerWaalsContact CA-CZ 3.41Å
647	M	94.6	Very high	94.6	Very high	36 Å²	36	21.4 Å²	21.4	18%	0.177	12%	0.116	C	C	.	.	S	Bend	trans	-87.1	-21.4	177.7	-60.2	-177.4	63.2	0	0	112.6	I522 F543 P548 Q609 L642 A645	I522-M647 HydrophobicContact CD1-CE 3.65Å; I522-M647 HydrophobicContact CD1-SD 4.32Å; F543-M647 HydrophobicContact CD2-SD 4.19Å; F543-M647 HydrophobicContact CE2-SD 3.92Å; P548-M647 HydrophobicContact CB-CE 4.14Å; P548-M647 HydrophobicContact CB-SD 4.44Å; P548-M647 HydrophobicContact CG-CE 3.97Å; P548-M647 HydrophobicContact CG-SD 4.27Å; Q609-M647 VanDerWaalsContact OE1-CE 3.28Å; L642-M647 HydrophobicContact CB-CB 4.29Å; L642-M647 HydrophobicContact CD2-CB 3.88Å; L642-M647 HydrophobicContact CD2-CE 3.87Å; L642-M647 HydrophobicContact CD2-CG 4.25Å; L642-M647 HydrophobicContact CD2-SD 3.54Å; L642-M647 VanDerWaalsContact CD2-SD 3.54Å; L642-M647 PolarHBondContact O-N 3.04Å; A645-M647 VanDerWaalsContact C-N 3.33Å; A645-M647 HydrophobicContact CB-CG 4.21Å; A645-M647 HydrophobicContact CB-SD 4.4Å; A645-M647 PolarHBondContact O-N 3.26Å
648	I	93.6	Very high	94.3	Very high	38 Å²	38	23.7 Å²	23.7	20%	0.195	13%	0.127	C	C	.	.	S	Bend	trans	-140.6	172.1	169.5	69.4	172.7	0	0	0	109.7	L639 L642 V653	L639-I648 HydrophobicContact CB-CD1 3.98Å; L639-I648 HydrophobicContact CD2-CD1 3.64Å; L639-I648 HydrophobicContact CG-CD1 4.43Å; L639-I648 WeakPolarHBondContact O-CD1 3.3Å; L642-I648 HydrophobicContact CB-CD1 4.21Å; L642-I648 HydrophobicContact CB-CG1 3.99Å; L642-I648 PolarHBondContact O-N 3.22Å; I648-V653 HydrophobicContact CD1-CG2 3.91Å
649	S	93.3	Very high	93.9	Very high	32 Å²	32	23.4 Å²	23.4	22%	0.224	13%	0.126	C	C	.	.			trans	-81.6	139	177.6	-178.5	0	0	0	0	112.6	V651 E652 V653	S649-V651 PolarHBondContact O-N 3.18Å; S649-V651 VanDerWaalsContact O-N 3.16Å; S649-V651 PolarHBondContact OG-N 2.9Å; S649-E652 WeakPolarHBondContact CB-OE2 3.41Å; S649-E652 PolarHBondContact N-OE2 2.73Å; S649-E652 WeakPolarHBondContact O-CB 3.3Å; S649-E652 PolarHBondContact O-N 2.96Å; S649-V653 PolarHBondContact O-N 3.33Å
650	T	96.1	Very high	93.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58	-27.6	169.6	-56.9	0	0	0	0	112.4	E652 V653 L654 L679 W914 D918 I922	T650-E652 VanDerWaalsContact C-N 3.3Å; T650-E652 PolarHBondContact O-N 2.75Å; T650-V653 PolarHBondContact O-N 3.1Å; T650-L654 WeakPolarHBondContact O-CG 3.38Å; T650-L654 PolarHBondContact O-N 3.04Å; T650-L679 HydrophobicContact CG2-CD1 4.39Å; T650-L679 HydrophobicContact CG2-CD2 3.77Å; T650-W914 HydrophobicContact CG2-CZ2 4.41Å; T650-W914 PolarHBondContact OG1-NE1 2.78Å; T650-D918 VanDerWaalsContact CB-OD2 3.28Å; T650-D918 WeakPolarHBondContact CB-OD2 3.29Å; T650-D918 PolarHBondContact N-OD2 3.39Å; T650-D918 PolarHBondContact OG1-OD2 2.96Å; T650-I922 HydrophobicContact CG2-CD1 3.67Å; T650-I922 HydrophobicContact CG2-CG1 3.98Å
651	V	94.8	Very high	93.3	Very high	15 Å²	15	25.2 Å²	25.2	9%	0.091	14%	0.137	C	C	.	.	H	α-helix	trans	-67.9	-29	176.3	173.6	0	0	0	0	112.1	S649 K655 D921 I922 Y925	S649-V651 PolarHBondContact O-N 3.18Å; S649-V651 VanDerWaalsContact O-N 3.16Å; S649-V651 PolarHBondContact OG-N 2.9Å; V651-K655 HydrophobicContact CG1-CD 4.33Å; V651-K655 WeakPolarHBondContact O-CD 3.4Å; V651-K655 VanDerWaalsContact O-CG 3.26Å; V651-K655 WeakPolarHBondContact O-CG 3.36Å; V651-K655 PolarHBondContact O-N 3.35Å; V651-K655 VanDerWaalsContact O-N 3.15Å; V651-D921 HydrophobicContact CG2-CB 4.07Å; V651-D921 WeakPolarHBondContact CG2-O 3.09Å; V651-I922 HydrophobicContact CG2-CG1 4.43Å; V651-Y925 HydrophobicContact CG1-CD1 4.46Å; V651-Y925 HydrophobicContact CG1-CD2 3.88Å; V651-Y925 HydrophobicContact CG1-CG 3.77Å
652	E	90.9	Very high	92.9	Very high	83 Å²	83	29.1 Å²	29.1	39%	0.388	16%	0.158	S	C	.	.	H	α-helix	trans	-69.9	-38.2	173.3	-65.7	170.1	113.7	0	0	110.9	S649 T650 K655 L656	S649-E652 WeakPolarHBondContact CB-OE2 3.41Å; S649-E652 PolarHBondContact N-OE2 2.73Å; S649-E652 WeakPolarHBondContact O-CB 3.3Å; S649-E652 PolarHBondContact O-N 2.96Å; T650-E652 VanDerWaalsContact C-N 3.3Å; T650-E652 PolarHBondContact O-N 2.75Å; E652-K655 PolarHBondContact O-N 2.71Å; E652-L656 WeakPolarHBondContact O-CB 3.45Å; E652-L656 PolarHBondContact O-N 2.74Å
653	V	94.1	Very high	92.8	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-67.7	-39.4	175.6	-174.4	0	0	0	0	111.8	L639 F640 I648 S649 T650 L656 M657	L639-V653 HydrophobicContact CB-CG2 4.33Å; L639-V653 VanDerWaalsContact O-CG2 3.32Å; L639-V653 WeakPolarHBondContact O-CG2 3.49Å; F640-V653 HydrophobicContact CB-CG1 4.41Å; F640-V653 HydrophobicContact CD2-CG1 4.14Å; I648-V653 HydrophobicContact CD1-CG2 3.91Å; S649-V653 PolarHBondContact O-N 3.33Å; T650-V653 PolarHBondContact O-N 3.1Å; V653-L656 WeakPolarHBondContact O-CB 3.26Å; V653-L656 PolarHBondContact O-N 2.94Å; V653-M657 HydrophobicContact CG1-CE 4.02Å; V653-M657 WeakPolarHBondContact O-CG 3.31Å; V653-M657 PolarHBondContact O-N 3.35Å
654	L	93.8	Very high	92.6	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-42.4	174.4	-68.8	171.6	0	0	0	112	T650 L656 M657 E658 L676 L679 I692 F695 I922 Y925	T650-L654 WeakPolarHBondContact O-CG 3.38Å; T650-L654 PolarHBondContact O-N 3.04Å; L654-L656 VanDerWaalsContact C-N 3.31Å; L654-L656 PolarHBondContact O-N 3.28Å; L654-M657 HydrophobicContact CD2-SD 4.36Å; L654-M657 WeakPolarHBondContact O-CB 3.12Å; L654-M657 PolarHBondContact O-N 2.83Å; L654-E658 PolarHBondContact O-N 3.32Å; L654-L676 HydrophobicContact CD2-CD2 4.37Å; L654-L679 HydrophobicContact CD2-CD1 4.1Å; L654-I692 HydrophobicContact CD2-CD1 4.38Å; L654-F695 HydrophobicContact CB-CE2 4.34Å; L654-F695 HydrophobicContact CB-CZ 4.36Å; L654-F695 HydrophobicContact CD2-CD1 4.45Å; L654-F695 HydrophobicContact CD2-CE1 4.05Å; L654-F695 HydrophobicContact CD2-CE2 4.33Å; L654-F695 HydrophobicContact CD2-CZ 3.99Å; L654-I922 HydrophobicContact CD1-CG2 4.1Å; L654-Y925 HydrophobicContact CB-CD1 4.13Å; L654-Y925 HydrophobicContact CB-CE1 3.48Å; L654-Y925 VanDerWaalsContact CB-CE1 3.48Å; L654-Y925 HydrophobicContact CD1-CD1 3.76Å; L654-Y925 HydrophobicContact CD1-CE1 3.85Å; L654-Y925 HydrophobicContact CG-CE1 4.27Å
655	K	89.2	Confident	92.5	Very high	113 Å²	113	31.3 Å²	31.3	49%	0.491	18%	0.175	S	C	.	.	H	α-helix	trans	-63	-35.6	173.1	-69.6	164.2	-176.7	167	0	112.6	V651 E652 Y925	V651-K655 HydrophobicContact CG1-CD 4.33Å; V651-K655 WeakPolarHBondContact O-CD 3.4Å; V651-K655 VanDerWaalsContact O-CG 3.26Å; V651-K655 WeakPolarHBondContact O-CG 3.36Å; V651-K655 PolarHBondContact O-N 3.35Å; V651-K655 VanDerWaalsContact O-N 3.15Å; E652-K655 PolarHBondContact O-N 2.71Å; K655-Y925 HydrophobicContact CG-CD2 4.47Å; K655-Y925 HydrophobicContact CG-CE2 3.71Å
656	L	89.8	Confident	92.5	Very high	11 Å²	11	32.7 Å²	32.7	6%	0.058	18%	0.179	C	C	.	.	H	α-helix	trans	-64.4	-45.2	173.6	-178.7	79.7	0	0	0	110.8	L619 I622 Q636 L639 E652 V653 L654 E658 A659 F660	L619-L656 HydrophobicContact CD2-CD1 3.56Å; I622-L656 HydrophobicContact CD1-CD1 3.78Å; Q636-L656 HydrophobicContact CB-CD2 4.25Å; L639-L656 HydrophobicContact CB-CD2 4.25Å; L639-L656 HydrophobicContact CD1-CD1 4.36Å; L639-L656 HydrophobicContact CD1-CD2 3.52Å; E652-L656 WeakPolarHBondContact O-CB 3.45Å; E652-L656 PolarHBondContact O-N 2.74Å; V653-L656 WeakPolarHBondContact O-CB 3.26Å; V653-L656 PolarHBondContact O-N 2.94Å; L654-L656 VanDerWaalsContact C-N 3.31Å; L654-L656 PolarHBondContact O-N 3.28Å; L656-E658 VanDerWaalsContact C-N 3.26Å; L656-E658 PolarHBondContact O-N 2.89Å; L656-A659 VanDerWaalsContact O-CB 3.24Å; L656-A659 WeakPolarHBondContact O-CB 3.39Å; L656-A659 PolarHBondContact O-N 3.16Å; L656-F660 HydrophobicContact CD2-CE2 4.4Å; L656-F660 HydrophobicContact CG-CE2 4.08Å; L656-F660 WeakPolarHBondContact O-CD2 3.06Å
657	M	92.4	Very high	92.5	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-58.3	-36.1	178.4	-70.9	176	169.9	0	0	112.3	F640 V653 L654 A659 F660 L672 N675 L676 F695 L699	F640-M657 HydrophobicContact CD2-CE 4.29Å; V653-M657 HydrophobicContact CG1-CE 4.02Å; V653-M657 WeakPolarHBondContact O-CG 3.31Å; V653-M657 PolarHBondContact O-N 3.35Å; L654-M657 HydrophobicContact CD2-SD 4.36Å; L654-M657 WeakPolarHBondContact O-CB 3.12Å; L654-M657 PolarHBondContact O-N 2.83Å; M657-A659 PolarHBondContact O-N 3.22Å; M657-F660 PolarHBondContact O-N 3.24Å; M657-F660 VanDerWaalsContact O-N 3.09Å; M657-L672 HydrophobicContact CB-CD2 4.19Å; M657-L672 HydrophobicContact CE-CD2 4.44Å; M657-L672 HydrophobicContact CG-CD2 3.68Å; M657-N675 HydrophobicContact CE-CB 3.69Å; M657-L676 HydrophobicContact CE-CG 4.14Å; M657-L676 HydrophobicContact SD-CD1 4.06Å; M657-L676 HydrophobicContact SD-CD2 3.71Å; M657-L676 HydrophobicContact SD-CG 3.71Å; M657-F695 HydrophobicContact CB-CE1 4.38Å; M657-F695 HydrophobicContact CB-CZ 4.1Å; M657-L699 HydrophobicContact CB-CD2 4.21Å; M657-L699 WeakPolarHBondContact O-CD1 3.26Å
658	E	88.9	Confident	92.6	Very high	50 Å²	50	29.3 Å²	29.3	23%	0.234	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-63.8	-18.7	173.9	-66.3	-174.6	138.7	0	0	113.5	L654 L656 F695 Y925 R929	L654-E658 PolarHBondContact O-N 3.32Å; L656-E658 VanDerWaalsContact C-N 3.26Å; L656-E658 PolarHBondContact O-N 2.89Å; E658-F695 HydrophobicContact CG-CE2 3.75Å; E658-F695 HydrophobicContact CG-CZ 3.95Å; E658-Y925 PolarHBondContact OE1-OH 2.88Å; E658-Y925 PolarHBondContact OE2-OH 3.36Å; E658-R929 IonicContact OE1-CZ 3.55Å; E658-R929 IonicContact OE1-NE 2.88Å; E658-R929 PolarHBondContact OE1-NE 2.86Å; E658-R929 IonicContact OE1-NH2 3.33Å; E658-R929 PolarHBondContact OE1-NH2 2.72Å
659	A	88.9	Confident	92.7	Very high	3 Å²	3	27.5 Å²	27.5	3%	0.025	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-77.9	-17.7	173.6	0	0	0	0	0	113.9	I622 R623 L656 M657 V661	I622-A659 HydrophobicContact CG2-CB 4.42Å; R623-A659 HydrophobicContact CG-CB 4.23Å; L656-A659 VanDerWaalsContact O-CB 3.24Å; L656-A659 WeakPolarHBondContact O-CB 3.39Å; L656-A659 PolarHBondContact O-N 3.16Å; M657-A659 PolarHBondContact O-N 3.22Å; A659-V661 VanDerWaalsContact C-N 3.27Å; A659-V661 PolarHBondContact O-N 3.06Å
660	F	92.1	Very high	92.9	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.009	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-82.1	5.7	-179.8	-76.9	-97.9	0	0	0	114.2	I622 R632 Q636 L656 M657 N662 E663 V668 L672	I622-F660 HydrophobicContact CD1-CE2 4.17Å; I622-F660 HydrophobicContact CD1-CZ 4.28Å; I622-F660 HydrophobicContact CG2-CD1 4.11Å; I622-F660 HydrophobicContact CG2-CD2 4.06Å; I622-F660 HydrophobicContact CG2-CE1 4.07Å; I622-F660 HydrophobicContact CG2-CE2 4Å; I622-F660 HydrophobicContact CG2-CG 4.11Å; I622-F660 HydrophobicContact CG2-CZ 4.01Å; R632-F660 HydrophobicContact CB-CE1 3.86Å; R632-F660 HydrophobicContact CB-CZ 4.25Å; Q636-F660 HydrophobicContact CB-CE2 4.22Å; Q636-F660 HydrophobicContact CB-CZ 4.01Å; Q636-F660 HydrophobicContact CG-CZ 4.37Å; L656-F660 HydrophobicContact CD2-CE2 4.4Å; L656-F660 HydrophobicContact CG-CE2 4.08Å; L656-F660 WeakPolarHBondContact O-CD2 3.06Å; M657-F660 PolarHBondContact O-N 3.24Å; M657-F660 VanDerWaalsContact O-N 3.09Å; F660-N662 PolarHBondContact O-N 3.45Å; F660-E663 HydrophobicContact CB-CB 4.4Å; F660-E663 HydrophobicContact CD1-CB 4.3Å; F660-E663 HydrophobicContact CD1-CG 4.38Å; F660-E663 WeakPolarHBondContact O-CB 2.97Å; F660-E663 PolarHBondContact O-N 3.41Å; F660-V668 HydrophobicContact CD1-CG1 3.6Å; F660-V668 HydrophobicContact CE1-CG1 3.42Å; F660-V668 VanDerWaalsContact CE1-CG1 3.42Å; F660-L672 HydrophobicContact CB-CD1 3.75Å; F660-L672 HydrophobicContact CD1-CD1 4.11Å; F660-L672 HydrophobicContact CD2-CD2 4.36Å; F660-L672 HydrophobicContact CG-CD1 3.99Å; F660-L672 HydrophobicContact CG-CD2 4.37Å
661	V	87.4	Confident	92.8	Very high	50 Å²	50	27.5 Å²	27.5	30%	0.303	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-54.8	-24.2	-179.5	68.6	0	0	0	0	114.4	A659 P702	A659-V661 VanDerWaalsContact C-N 3.27Å; A659-V661 PolarHBondContact O-N 3.06Å; V661-P702 HydrophobicContact CG2-CB 4.42Å; V661-P702 HydrophobicContact CG2-CG 4.28Å
662	N	89.3	Confident	92.9	Very high	90 Å²	90	26.8 Å²	26.8	48%	0.481	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-88	-8.6	177.3	-72	-12.8	0	0	0	114.7	R623 F660 P664	R623-N662 PolarHBondContact O-ND2 2.95Å; F660-N662 PolarHBondContact O-N 3.45Å; N662-P664 WeakPolarHBondContact O-CD 3.38Å
663	E	94.7	Very high	93.1	Very high	3 Å²	3	23.8 Å²	23.8	1%	0.014	13%	0.127	C	C	.	.			trans	-61.8	125.9	-168.5	178.4	58.8	-108.9	0	0	112.9	R632 F660 N665 V668 W669	R632-E663 IonicContact CZ-OE1 2.8Å; R632-E663 IonicContact CZ-OE2 3.29Å; R632-E663 IonicContact NE-OE2 2.62Å; R632-E663 PolarHBondContact NE-OE2 3.44Å; R632-E663 IonicContact NH2-OE1 3.29Å; R632-E663 PolarHBondContact NH2-OE1 3.14Å; R632-E663 IonicContact NH2-OE2 2.69Å; R632-E663 PolarHBondContact NH2-OE2 2.98Å; F660-E663 HydrophobicContact CB-CB 4.4Å; F660-E663 HydrophobicContact CD1-CB 4.3Å; F660-E663 HydrophobicContact CD1-CG 4.38Å; F660-E663 WeakPolarHBondContact O-CB 2.97Å; F660-E663 PolarHBondContact O-N 3.41Å; E663-N665 WeakPolarHBondContact OE1-CB 3.04Å; E663-N665 PolarHBondContact OE1-N 3.27Å; E663-V668 HydrophobicContact CG-CB 3.75Å; E663-V668 HydrophobicContact CG-CG1 3.73Å; E663-V668 HydrophobicContact CG-CG2 4.48Å; E663-V668 WeakPolarHBondContact OE2-CG1 3.28Å; E663-W669 HydrophobicContact CB-CZ2 4.39Å; E663-W669 PolarHBondContact O-NE1 2.86Å
664	P	92.5	Very high	93.1	Very high	63 Å²	63	27.3 Å²	27.3	41%	0.409	15%	0.151	S	C	.	.			trans	-93.9	-20.6	173.3	34.8	-37.1	0	0	0	115.5	L625 N662	L625-P664 HydrophobicContact CD1-CG 4.13Å; N662-P664 WeakPolarHBondContact O-CD 3.38Å
665	N	94.6	Very high	93.2	Very high	18 Å²	18	27.6 Å²	27.6	10%	0.096	15%	0.152	C	C	.	.			trans	-80.2	130.1	-169.5	-177.4	-84.3	0	0	0	112.5	D411 P629 E663 T667 V668 W669	D411-N665 PolarHBondContact OD2-ND2 3.17Å; P629-N665 HydrophobicContact CB-CB 4.05Å; E663-N665 WeakPolarHBondContact OE1-CB 3.04Å; E663-N665 PolarHBondContact OE1-N 3.27Å; N665-T667 VanDerWaalsContact C-N 3.34Å; N665-T667 PolarHBondContact O-N 2.97Å; N665-T667 WeakPolarHBondContact OD1-CA 3.33Å; N665-T667 VanDerWaalsContact OD1-CB 3.27Å; N665-T667 WeakPolarHBondContact OD1-CB 3.5Å; N665-T667 PolarHBondContact OD1-N 2.83Å; N665-T667 PolarHBondContact OD1-OG1 3.19Å; N665-V668 HydrophobicContact CB-CB 4.44Å; N665-V668 HydrophobicContact CB-CG2 3.93Å; N665-V668 PolarHBondContact O-N 2.79Å; N665-V668 PolarHBondContact OD1-N 3.46Å; N665-W669 PolarHBondContact O-N 3.11Å
666	Y	95.5	Very high	93.5	Very high	37 Å²	37	22.2 Å²	22.2	15%	0.145	13%	0.129	C	C	.	.	H	α-helix	trans	-50.3	-50.2	177	160.4	-113.7	0	0	0	113.2	V668 W669 S670 L718 L721 L722 L725	Y666-V668 PolarHBondContact O-N 3.33Å; Y666-W669 CarbonylContact O-C 3.3Å; Y666-W669 WeakPolarHBondContact O-CB 3.35Å; Y666-W669 PolarHBondContact O-N 2.82Å; Y666-S670 PolarHBondContact O-N 3.23Å; Y666-L718 HydrophobicContact CD1-CD2 4.13Å; Y666-L721 HydrophobicContact CD1-CB 4.07Å; Y666-L721 HydrophobicContact CD1-CD1 3.8Å; Y666-L721 HydrophobicContact CD2-CB 3.53Å; Y666-L721 HydrophobicContact CE1-CB 4.11Å; Y666-L721 HydrophobicContact CE1-CD1 3.63Å; Y666-L721 HydrophobicContact CE1-CG 4.49Å; Y666-L721 HydrophobicContact CE2-CB 3.59Å; Y666-L721 HydrophobicContact CG-CB 3.78Å; Y666-L721 HydrophobicContact CG-CD1 4.34Å; Y666-L722 HydrophobicContact CD2-CB 4.25Å; Y666-L725 HydrophobicContact CE2-CB 4.4Å; Y666-L725 HydrophobicContact CE2-CD1 3.91Å
667	T	95.9	Very high	93.8	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.018	14%	0.142	C	C	.	.	H	α-helix	trans	-69.8	-37.6	-169.8	-40.6	0	0	0	0	112	T414 Q415 L633 N665 W669 S670 D671	T414-T667 HydrophobicContact CG2-CG2 4.13Å; Q415-T667 HydrophobicContact CB-CG2 4.35Å; Q415-T667 HydrophobicContact CG-CG2 3.99Å; Q415-T667 WeakPolarHBondContact CG-OG1 3.47Å; L633-T667 HydrophobicContact CD1-CG2 3.6Å; N665-T667 VanDerWaalsContact C-N 3.34Å; N665-T667 PolarHBondContact O-N 2.97Å; N665-T667 WeakPolarHBondContact OD1-CA 3.33Å; N665-T667 VanDerWaalsContact OD1-CB 3.27Å; N665-T667 WeakPolarHBondContact OD1-CB 3.5Å; N665-T667 PolarHBondContact OD1-N 2.83Å; N665-T667 PolarHBondContact OD1-OG1 3.19Å; T667-W669 VanDerWaalsContact C-N 3.31Å; T667-W669 PolarHBondContact O-N 3.46Å; T667-S670 WeakPolarHBondContact O-CA 3.47Å; T667-S670 VanDerWaalsContact O-CB 3.28Å; T667-S670 WeakPolarHBondContact O-CB 3.4Å; T667-S670 PolarHBondContact O-N 3.03Å; T667-D671 PolarHBondContact O-N 3.07Å
668	V	96.5	Very high	93.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62	-41.7	174.3	-174.5	0	0	0	0	110.6	P629 L633 Q636 F660 E663 N665 Y666 S670 L672	P629-V668 HydrophobicContact CB-CG2 4.14Å; P629-V668 WeakPolarHBondContact O-CG2 3.37Å; L633-V668 HydrophobicContact CB-CG2 4.28Å; Q636-V668 PolarHBondContact NE2-O 3.35Å; F660-V668 HydrophobicContact CD1-CG1 3.6Å; F660-V668 HydrophobicContact CE1-CG1 3.42Å; F660-V668 VanDerWaalsContact CE1-CG1 3.42Å; E663-V668 HydrophobicContact CG-CB 3.75Å; E663-V668 HydrophobicContact CG-CG1 3.73Å; E663-V668 HydrophobicContact CG-CG2 4.48Å; E663-V668 WeakPolarHBondContact OE2-CG1 3.28Å; N665-V668 HydrophobicContact CB-CB 4.44Å; N665-V668 HydrophobicContact CB-CG2 3.93Å; N665-V668 PolarHBondContact O-N 2.79Å; N665-V668 PolarHBondContact OD1-N 3.46Å; Y666-V668 PolarHBondContact O-N 3.33Å; V668-S670 VanDerWaalsContact C-N 3.31Å; V668-L672 WeakPolarHBondContact O-CG 3.47Å; V668-L672 PolarHBondContact O-N 2.93Å; V668-L672 VanDerWaalsContact O-N 3.08Å
669	W	96.8	Very high	94.2	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-67.6	-27.8	171.2	-81.4	109.7	0	0	0	113.8	E663 N665 Y666 T667 L672 S673 L699 F700 I703 L722 L725	E663-W669 HydrophobicContact CB-CZ2 4.39Å; E663-W669 PolarHBondContact O-NE1 2.86Å; N665-W669 PolarHBondContact O-N 3.11Å; Y666-W669 CarbonylContact O-C 3.3Å; Y666-W669 WeakPolarHBondContact O-CB 3.35Å; Y666-W669 PolarHBondContact O-N 2.82Å; T667-W669 VanDerWaalsContact C-N 3.31Å; T667-W669 PolarHBondContact O-N 3.46Å; W669-L672 HydrophobicContact CD2-CD1 4.06Å; W669-L672 HydrophobicContact CE3-CB 4.41Å; W669-L672 HydrophobicContact CE3-CD1 3.72Å; W669-L672 HydrophobicContact CZ3-CD1 4.01Å; W669-S673 WeakPolarHBondContact O-CB 3.48Å; W669-S673 PolarHBondContact O-N 2.9Å; W669-L699 HydrophobicContact CH2-CD1 4.22Å; W669-L699 HydrophobicContact CH2-CG 4.08Å; W669-L699 HydrophobicContact CZ3-CD2 4.43Å; W669-L699 HydrophobicContact CZ3-CG 4.04Å; W669-F700 HydrophobicContact CE3-CD1 4.08Å; W669-F700 AromaticContact CE3-CE1 3.51Å; W669-F700 HydrophobicContact CE3-CE1 3.51Å; W669-F700 HydrophobicContact CE3-CE2 4.26Å; W669-F700 AromaticContact CE3-CZ 3.61Å; W669-F700 HydrophobicContact CE3-CZ 3.61Å; W669-F700 HydrophobicContact CZ3-CD1 4.04Å; W669-F700 HydrophobicContact CZ3-CD2 4.12Å; W669-F700 AromaticContact CZ3-CE1 3.81Å; W669-F700 HydrophobicContact CZ3-CE1 3.81Å; W669-F700 AromaticContact CZ3-CE2 3.89Å; W669-F700 HydrophobicContact CZ3-CE2 3.89Å; W669-F700 HydrophobicContact CZ3-CG 4.19Å; W669-F700 AromaticContact CZ3-CZ 3.73Å; W669-F700 HydrophobicContact CZ3-CZ 3.73Å; W669-I703 HydrophobicContact CH2-CG2 3.91Å; W669-I703 HydrophobicContact CZ2-CB 4.15Å; W669-I703 HydrophobicContact CZ2-CG1 4.48Å; W669-I703 HydrophobicContact CZ2-CG2 3.74Å; W669-I703 HydrophobicContact CZ3-CG2 4.43Å; W669-L722 HydrophobicContact CB-CD1 3.48Å; W669-L722 VanDerWaalsContact CB-CD1 3.48Å; W669-L722 HydrophobicContact CG-CD1 3.57Å; W669-L725 HydrophobicContact CB-CD2 4.26Å
670	S	96.1	Very high	94.4	Very high	29 Å²	29	24.3 Å²	24.3	20%	0.203	15%	0.153	C	C	.	.	H	α-helix	trans	-66.8	-48.2	174.3	-166.9	0	0	0	0	111.6	Y666 T667 V668 S673 C674	Y666-S670 PolarHBondContact O-N 3.23Å; T667-S670 WeakPolarHBondContact O-CA 3.47Å; T667-S670 VanDerWaalsContact O-CB 3.28Å; T667-S670 WeakPolarHBondContact O-CB 3.4Å; T667-S670 PolarHBondContact O-N 3.03Å; V668-S670 VanDerWaalsContact C-N 3.31Å; S670-S673 PolarHBondContact O-N 3.09Å; S670-C674 PolarHBondContact O-N 2.9Å
671	D	95.3	Very high	94.5	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.011	16%	0.163	C	C	.	.	H	α-helix	trans	-63.5	-47.3	176.2	-159.6	81.8	0	0	0	111.1	S418 L633 N637 T667 S673 C674 N675	S418-D671 PolarHBondContact OG-OD1 2.97Å; L633-D671 HydrophobicContact CD2-CB 4.04Å; L633-D671 HydrophobicContact CG-CB 4.1Å; N637-D671 PolarHBondContact ND2-OD1 3.38Å; N637-D671 PolarHBondContact ND2-OD2 2.91Å; T667-D671 PolarHBondContact O-N 3.07Å; D671-S673 PolarHBondContact O-N 2.86Å; D671-C674 WeakPolarHBondContact O-CB 3.48Å; D671-C674 PolarHBondContact O-N 3.39Å; D671-N675 WeakPolarHBondContact O-CB 3.39Å; D671-N675 PolarHBondContact O-N 2.72Å; D671-N675 PolarHBondContact O-ND2 3.45Å; D671-N675 VanDerWaalsContact O-ND2 3.17Å; D671-N675 PolarHBondContact OD2-ND2 2.78Å
672	L	95.6	Very high	94.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-51.2	-44.7	171.3	-78.2	168.6	0	0	0	111.8	Q636 M657 F660 V668 W669 L676	Q636-L672 VanDerWaalsContact OE1-CG 3.23Å; M657-L672 HydrophobicContact CB-CD2 4.19Å; M657-L672 HydrophobicContact CE-CD2 4.44Å; M657-L672 HydrophobicContact CG-CD2 3.68Å; F660-L672 HydrophobicContact CB-CD1 3.75Å; F660-L672 HydrophobicContact CD1-CD1 4.11Å; F660-L672 HydrophobicContact CD2-CD2 4.36Å; F660-L672 HydrophobicContact CG-CD1 3.99Å; F660-L672 HydrophobicContact CG-CD2 4.37Å; V668-L672 WeakPolarHBondContact O-CG 3.47Å; V668-L672 PolarHBondContact O-N 2.93Å; V668-L672 VanDerWaalsContact O-N 3.08Å; W669-L672 HydrophobicContact CD2-CD1 4.06Å; W669-L672 HydrophobicContact CE3-CB 4.41Å; W669-L672 HydrophobicContact CE3-CD1 3.72Å; W669-L672 HydrophobicContact CZ3-CD1 4.01Å; L672-L676 VanDerWaalsContact O-CB 3.31Å; L672-L676 WeakPolarHBondContact O-CB 3.41Å; L672-L676 WeakPolarHBondContact O-CG 3.45Å; L672-L676 PolarHBondContact O-N 2.96Å
673	S	95.9	Very high	95.2	Very high	21 Å²	21	19.5 Å²	19.5	15%	0.147	13%	0.128	C	C	.	.	H	α-helix	trans	-71.2	-33.8	-179.4	-171.6	0	0	0	0	112.8	W669 S670 D671 G677 K729	W669-S673 WeakPolarHBondContact O-CB 3.48Å; W669-S673 PolarHBondContact O-N 2.9Å; S670-S673 PolarHBondContact O-N 3.09Å; D671-S673 PolarHBondContact O-N 2.86Å; S673-G677 PolarHBondContact O-N 3.19Å; S673-K729 PolarHBondContact O-NZ 3.12Å; S673-K729 WeakPolarHBondContact OG-CD 3.3Å; S673-K729 PolarHBondContact OG-NZ 3.49Å
674	C	94.7	Very high	95.1	Very high	76 Å²	76	20.3 Å²	20.3	51%	0.514	13%	0.134	S	C	.	.	H	α-helix	trans	-66	-52.7	173.1	-164.7	0	0	0	0	110.7	S670 D671 L676 G677 V678	S670-C674 PolarHBondContact O-N 2.9Å; D671-C674 WeakPolarHBondContact O-CB 3.48Å; D671-C674 PolarHBondContact O-N 3.39Å; C674-L676 PolarHBondContact O-N 2.99Å; C674-G677 CarbonylContact O-C 3.51Å; C674-G677 VanDerWaalsContact O-CA 3.23Å; C674-G677 WeakPolarHBondContact O-CA 3.46Å; C674-G677 PolarHBondContact O-N 3.31Å; C674-V678 PolarHBondContact O-N 2.78Å
675	N	95.4	Very high	95.1	Very high	6 Å²	6	18.7 Å²	18.7	3%	0.032	12%	0.121	C	C	.	.	H	α-helix	trans	-57.3	-46.9	-179.7	-64.3	-19.8	0	0	0	111.7	F640 M657 D671 G677 V678 L679	F640-N675 HydrophobicContact CD1-CB 4.11Å; F640-N675 WeakPolarHBondContact CD1-OD1 3.46Å; F640-N675 HydrophobicContact CD2-CB 3.67Å; F640-N675 HydrophobicContact CE1-CB 4.09Å; F640-N675 HydrophobicContact CE2-CB 3.64Å; F640-N675 HydrophobicContact CG-CB 3.9Å; F640-N675 HydrophobicContact CZ-CB 3.86Å; F640-N675 WeakPolarHBondContact CZ-O 3.42Å; M657-N675 HydrophobicContact CE-CB 3.69Å; D671-N675 WeakPolarHBondContact O-CB 3.39Å; D671-N675 PolarHBondContact O-N 2.72Å; D671-N675 PolarHBondContact O-ND2 3.45Å; D671-N675 VanDerWaalsContact O-ND2 3.17Å; D671-N675 PolarHBondContact OD2-ND2 2.78Å; N675-G677 VanDerWaalsContact C-N 3.27Å; N675-G677 PolarHBondContact O-N 2.91Å; N675-V678 PolarHBondContact O-N 3.05Å; N675-L679 PolarHBondContact O-N 3.35Å
676	L	95.6	Very high	95.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-69.4	-21.3	172.7	-74.6	165.4	0	0	0	113.6	L654 M657 L672 C674 L679 S680 I692 F695 I696 L699 F700	L654-L676 HydrophobicContact CD2-CD2 4.37Å; M657-L676 HydrophobicContact CE-CG 4.14Å; M657-L676 HydrophobicContact SD-CD1 4.06Å; M657-L676 HydrophobicContact SD-CD2 3.71Å; M657-L676 HydrophobicContact SD-CG 3.71Å; L672-L676 VanDerWaalsContact O-CB 3.31Å; L672-L676 WeakPolarHBondContact O-CB 3.41Å; L672-L676 WeakPolarHBondContact O-CG 3.45Å; L672-L676 PolarHBondContact O-N 2.96Å; C674-L676 PolarHBondContact O-N 2.99Å; L676-L679 HydrophobicContact CD2-CD1 4.39Å; L676-S680 WeakPolarHBondContact O-CB 3.48Å; L676-S680 PolarHBondContact O-N 2.86Å; L676-I692 HydrophobicContact CD2-CD1 4.26Å; L676-F695 HydrophobicContact CD1-CE1 4.29Å; L676-F695 HydrophobicContact CD2-CD1 3.89Å; L676-F695 HydrophobicContact CD2-CE1 3.78Å; L676-I696 HydrophobicContact CB-CD1 4.34Å; L676-I696 HydrophobicContact CB-CG1 4.26Å; L676-I696 HydrophobicContact CD1-CG1 4.39Å; L676-I696 HydrophobicContact CD2-CG1 4.28Å; L676-L699 HydrophobicContact CD1-CD2 3.84Å; L676-F700 HydrophobicContact CD1-CE2 3.89Å
677	G	94.8	Very high	95	Very high	33 Å²	33	27.2 Å²	27.2	34%	0.34	16%	0.163	S	C	.	.	H	α-helix	trans	-70.2	-44.2	170.7	0	0	0	0	0	112	S673 C674 N675 S680 S681	S673-G677 PolarHBondContact O-N 3.19Å; C674-G677 CarbonylContact O-C 3.51Å; C674-G677 VanDerWaalsContact O-CA 3.23Å; C674-G677 WeakPolarHBondContact O-CA 3.46Å; C674-G677 PolarHBondContact O-N 3.31Å; N675-G677 VanDerWaalsContact C-N 3.27Å; N675-G677 PolarHBondContact O-N 2.91Å; G677-S680 PolarHBondContact O-N 2.93Å; G677-S681 PolarHBondContact O-N 2.8Å
678	V	94.5	Very high	95	Very high	54 Å²	54	27.8 Å²	27.8	33%	0.327	17%	0.166	S	C	.	.	H	α-helix	trans	-62	-51.1	173.9	173.7	0	0	0	0	110.4	F640 C674 N675 S680 S681 L682 W914	F640-V678 HydrophobicContact CE1-CB 4.45Å; F640-V678 HydrophobicContact CE1-CG1 4.44Å; F640-V678 HydrophobicContact CZ-CB 3.99Å; F640-V678 HydrophobicContact CZ-CG1 4.06Å; C674-V678 PolarHBondContact O-N 2.78Å; N675-V678 PolarHBondContact O-N 3.05Å; V678-S680 PolarHBondContact O-N 3.41Å; V678-S681 WeakPolarHBondContact O-CB 3.33Å; V678-S681 PolarHBondContact O-N 3.26Å; V678-S681 VanDerWaalsContact O-N 3.11Å; V678-L682 WeakPolarHBondContact O-CB 3.36Å; V678-L682 PolarHBondContact O-N 3.13Å; V678-W914 HydrophobicContact CG1-CH2 4.36Å; V678-W914 HydrophobicContact CG1-CZ3 3.89Å
679	L	95.3	Very high	94.9	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-42.7	176	-74.7	171.2	0	0	0	112.7	F640 T650 L654 N675 L676 S681 L682 L683 W914	F640-L679 HydrophobicContact CE2-CD1 3.88Å; F640-L679 HydrophobicContact CE2-CG 3.85Å; F640-L679 HydrophobicContact CZ-CG 4.34Å; T650-L679 HydrophobicContact CG2-CD1 4.39Å; T650-L679 HydrophobicContact CG2-CD2 3.77Å; L654-L679 HydrophobicContact CD2-CD1 4.1Å; N675-L679 PolarHBondContact O-N 3.35Å; L676-L679 HydrophobicContact CD2-CD1 4.39Å; L679-S681 VanDerWaalsContact C-N 3.33Å; L679-S681 PolarHBondContact O-N 2.94Å; L679-L682 HydrophobicContact CD2-CD2 4.48Å; L679-L682 WeakPolarHBondContact O-CB 3.34Å; L679-L682 PolarHBondContact O-N 2.93Å; L679-L683 WeakPolarHBondContact O-CB 3.46Å; L679-L683 WeakPolarHBondContact O-CG 3.38Å; L679-L683 PolarHBondContact O-N 2.91Å; L679-W914 HydrophobicContact CD2-CH2 3.86Å; L679-W914 HydrophobicContact CD2-CZ2 3.61Å; L679-W914 HydrophobicContact CG-CH2 4.47Å
680	S	95	Very high	94.8	Very high	20 Å²	20	35.6 Å²	35.6	14%	0.14	21%	0.206	C	C	.	.	H	α-helix	trans	-67.7	-31	176.7	-171.5	0	0	0	0	112.6	L676 G677 V678 S684 H689	L676-S680 WeakPolarHBondContact O-CB 3.48Å; L676-S680 PolarHBondContact O-N 2.86Å; G677-S680 PolarHBondContact O-N 2.93Å; V678-S680 PolarHBondContact O-N 3.41Å; S680-S684 PolarHBondContact O-N 3.08Å; S680-S684 VanDerWaalsContact O-N 3.13Å; S680-H689 PolarHBondContact O-CD2 2.89Å; S680-H689 PolarHBondContact O-NE2 3.48Å; S680-H689 PolarHBondContact OG-NE2 2.92Å; S680-H689 VanDerWaalsContact OG-NE2 3.11Å
681	S	94	Very high	94.8	Very high	33 Å²	33	37.3 Å²	37.3	23%	0.231	21%	0.211	C	C	.	.	H	α-helix	trans	-68	-45.6	170.6	-175.5	0	0	0	0	111.2	G677 V678 L679 S684 R841	G677-S681 PolarHBondContact O-N 2.8Å; V678-S681 WeakPolarHBondContact O-CB 3.33Å; V678-S681 PolarHBondContact O-N 3.26Å; V678-S681 VanDerWaalsContact O-N 3.11Å; L679-S681 VanDerWaalsContact C-N 3.33Å; L679-S681 PolarHBondContact O-N 2.94Å; S681-S684 WeakPolarHBondContact O-CB 3.26Å; S681-S684 PolarHBondContact O-N 3.21Å; S681-S684 PolarHBondContact O-OG 3.27Å; S681-R841 PolarHBondContact OG-NH2 3.07Å
682	L	94.6	Very high	94.8	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-58	-54.3	178.1	-168.8	73.2	0	0	0	110.9	V678 L679 S684 H685 A877 N911 W914 L915	V678-L682 WeakPolarHBondContact O-CB 3.36Å; V678-L682 PolarHBondContact O-N 3.13Å; L679-L682 HydrophobicContact CD2-CD2 4.48Å; L679-L682 WeakPolarHBondContact O-CB 3.34Å; L679-L682 PolarHBondContact O-N 2.93Å; L682-S684 VanDerWaalsContact C-N 3.26Å; L682-S684 PolarHBondContact O-N 3.09Å; L682-H685 VanDerWaalsContact O-CB 3.32Å; L682-H685 WeakPolarHBondContact O-CB 3.28Å; L682-H685 PolarHBondContact O-N 3.13Å; L682-H685 VanDerWaalsContact O-N 3.09Å; L682-A877 HydrophobicContact CD1-CB 4Å; L682-N911 HydrophobicContact CD1-CB 4.04Å; L682-N911 WeakPolarHBondContact CD1-O 3.35Å; L682-W914 HydrophobicContact CD1-CE3 4.44Å; L682-W914 HydrophobicContact CD2-CD2 3.6Å; L682-W914 HydrophobicContact CD2-CE3 3.69Å; L682-W914 HydrophobicContact CD2-CG 3.99Å; L682-W914 HydrophobicContact CD2-CZ3 4.22Å; L682-L915 HydrophobicContact CD1-CB 4.01Å; L682-L915 HydrophobicContact CG-CB 4.21Å; L682-L915 HydrophobicContact CG-CD1 4.18Å
683	L	95.7	Very high	94.8	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-72.5	-13.5	-178.3	-63	176.9	0	0	0	113.7	L679 H685 T686 F688 I692 L915 I922	L679-L683 WeakPolarHBondContact O-CB 3.46Å; L679-L683 WeakPolarHBondContact O-CG 3.38Å; L679-L683 PolarHBondContact O-N 2.91Å; L683-H685 PolarHBondContact O-N 3.33Å; L683-T686 HydrophobicContact CD2-CG2 4.31Å; L683-T686 PolarHBondContact O-N 3.04Å; L683-T686 PolarHBondContact O-OG1 2.57Å; L683-T686 VanDerWaalsContact O-OG1 3.05Å; L683-F688 HydrophobicContact CD1-CE2 4.35Å; L683-F688 HydrophobicContact CD2-CE2 3.73Å; L683-F688 HydrophobicContact CD2-CZ 3.91Å; L683-I692 HydrophobicContact CB-CG2 4.06Å; L683-I692 HydrophobicContact CD1-CB 3.81Å; L683-I692 HydrophobicContact CD1-CD1 4.38Å; L683-I692 HydrophobicContact CD1-CG1 3.95Å; L683-I692 HydrophobicContact CD1-CG2 3.92Å; L683-L915 HydrophobicContact CD2-CD1 4.24Å; L683-I922 HydrophobicContact CD1-CG2 3.9Å
684	S	93.8	Very high	94.8	Very high	19 Å²	19	42.3 Å²	42.3	13%	0.133	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-15.9	167.2	80.1	0	0	0	0	112.4	S680 S681 L682 H689 K838	S680-S684 PolarHBondContact O-N 3.08Å; S680-S684 VanDerWaalsContact O-N 3.13Å; S681-S684 WeakPolarHBondContact O-CB 3.26Å; S681-S684 PolarHBondContact O-N 3.21Å; S681-S684 PolarHBondContact O-OG 3.27Å; L682-S684 VanDerWaalsContact C-N 3.26Å; L682-S684 PolarHBondContact O-N 3.09Å; S684-H689 PolarHBondContact N-CD2 2.75Å; S684-K838 WeakPolarHBondContact O-CD 3.23Å; S684-K838 WeakPolarHBondContact O-CE 3.43Å; S684-K838 PolarHBondContact O-NZ 3.16Å
685	H	92.1	Very high	94.9	Very high	29 Å²	29	38.7 Å²	38.7	13%	0.134	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-23.4	172.9	-77.5	-120.8	0	0	0	114.2	L682 L683 K838 L915	L682-H685 VanDerWaalsContact O-CB 3.32Å; L682-H685 WeakPolarHBondContact O-CB 3.28Å; L682-H685 PolarHBondContact O-N 3.13Å; L682-H685 VanDerWaalsContact O-N 3.09Å; L683-H685 PolarHBondContact O-N 3.33Å; H685-K838 VanDerWaalsContact C-NZ 3.3Å; H685-K838 VanDerWaalsContact CA-NZ 3.31Å; H685-K838 PolarHBondContact O-NZ 2.9Å; H685-L915 HydrophobicContact CB-CD2 3.6Å
686	T	94.2	Very high	94.9	Very high	33 Å²	33	38.6 Å²	38.6	20%	0.202	21%	0.207	C	C	.	.	S	Bend	trans	-91.1	-173.4	-179	75.6	0	0	0	0	112.7	L683 F688 L915 A919	L683-T686 HydrophobicContact CD2-CG2 4.31Å; L683-T686 PolarHBondContact O-N 3.04Å; L683-T686 PolarHBondContact O-OG1 2.57Å; L683-T686 VanDerWaalsContact O-OG1 3.05Å; T686-F688 VanDerWaalsContact CB-CE1 3.42Å; T686-F688 HydrophobicContact CG2-CD1 4.35Å; T686-F688 HydrophobicContact CG2-CE1 3.61Å; T686-F688 HydrophobicContact CG2-CZ 3.75Å; T686-F688 VanDerWaalsContact OG1-CD1 3.26Å; T686-F688 WeakPolarHBondContact OG1-CD1 3.42Å; T686-F688 VanDerWaalsContact OG1-CE1 3.3Å; T686-F688 WeakPolarHBondContact OG1-CE1 3.37Å; T686-F688 PolarHBondContact OG1-N 3.26Å; T686-L915 HydrophobicContact CG2-CD1 3.72Å; T686-A919 HydrophobicContact CG2-CB 4.48Å
687	E	94.1	Very high	95	Very high	201 Å²	201	41.1 Å²	41.1	94%	0.939	22%	0.217	S	C	*	.	S	Bend	trans	-92.3	-17.9	173.6	-60.2	-173.5	131	0	0	112.9	H689	E687-H689 PolarHBondContact O-N 3.37Å
688	F	94.9	Very high	94.9	Very high	15 Å²	15	41.1 Å²	41.1	7%	0.066	21%	0.209	C	C	.	.			trans	-97.9	45.3	-177.3	60.6	-88.9	0	0	0	112.6	L683 T686 E691 A919 I922 H923	L683-F688 HydrophobicContact CD1-CE2 4.35Å; L683-F688 HydrophobicContact CD2-CE2 3.73Å; L683-F688 HydrophobicContact CD2-CZ 3.91Å; T686-F688 VanDerWaalsContact CB-CE1 3.42Å; T686-F688 HydrophobicContact CG2-CD1 4.35Å; T686-F688 HydrophobicContact CG2-CE1 3.61Å; T686-F688 HydrophobicContact CG2-CZ 3.75Å; T686-F688 VanDerWaalsContact OG1-CD1 3.26Å; T686-F688 WeakPolarHBondContact OG1-CD1 3.42Å; T686-F688 VanDerWaalsContact OG1-CE1 3.3Å; T686-F688 WeakPolarHBondContact OG1-CE1 3.37Å; T686-F688 PolarHBondContact OG1-N 3.26Å; F688-E691 WeakPolarHBondContact CA-OE2 3.4Å; F688-E691 HydrophobicContact CB-CG 4.5Å; F688-E691 WeakPolarHBondContact CB-OE2 3.35Å; F688-A919 HydrophobicContact CZ-CB 4.08Å; F688-A919 WeakPolarHBondContact CZ-O 3.17Å; F688-I922 HydrophobicContact CE2-CG2 4.37Å; F688-H923 HydrophobicContact CD1-CB 4.06Å; F688-H923 AromaticContact CD1-CG 3.74Å; F688-H923 AromaticContact CD1-ND1 3.74Å; F688-H923 HydrophobicContact CD2-CB 3.95Å; F688-H923 HydrophobicContact CE1-CB 3.87Å; F688-H923 HydrophobicContact CE2-CB 3.78Å; F688-H923 HydrophobicContact CG-CB 4.12Å; F688-H923 AromaticContact CG-CD2 3.75Å; F688-H923 AromaticContact CG-CG 3.77Å; F688-H923 HydrophobicContact CZ-CB 3.75Å
689	H	94.7	Very high	94.9	Very high	54 Å²	54	38.7 Å²	38.7	25%	0.25	19%	0.194	C	C	.	.	H	α-helix	trans	-76.3	-27.5	-177.8	-170.5	-133.8	0	0	0	113.1	S680 S684 E687 E691 I692 L693	S680-H689 PolarHBondContact O-CD2 2.89Å; S680-H689 PolarHBondContact O-NE2 3.48Å; S680-H689 PolarHBondContact OG-NE2 2.92Å; S680-H689 VanDerWaalsContact OG-NE2 3.11Å; S684-H689 PolarHBondContact N-CD2 2.75Å; E687-H689 PolarHBondContact O-N 3.37Å; H689-E691 VanDerWaalsContact C-N 3.32Å; H689-E691 PolarHBondContact O-N 2.86Å; H689-I692 WeakPolarHBondContact O-CG2 3.4Å; H689-L693 WeakPolarHBondContact O-CG 3.4Å; H689-L693 PolarHBondContact O-N 3.47Å
690	D	94.7	Very high	94.9	Very high	112 Å²	112	38.6 Å²	38.6	60%	0.599	19%	0.194	S	C	*	.	H	α-helix	trans	-74.4	-24.5	-177.9	-79.2	-44.1	0	0	0	112.6	L693 E694	D690-L693 CarbonylContact O-C 3.47Å; D690-L693 WeakPolarHBondContact O-CB 3.27Å; D690-L693 PolarHBondContact O-N 3.49Å; D690-E694 PolarHBondContact O-N 3.3Å
691	E	95.9	Very high	94.9	Very high	64 Å²	64	38.2 Å²	38.2	30%	0.299	19%	0.192	S	C	.	.	H	α-helix	trans	-69.9	-39.5	177.9	-68.8	83.3	164.5	0	0	112.2	F688 H689 L693 E694 F695 L926	F688-E691 WeakPolarHBondContact CA-OE2 3.4Å; F688-E691 HydrophobicContact CB-CG 4.5Å; F688-E691 WeakPolarHBondContact CB-OE2 3.35Å; H689-E691 VanDerWaalsContact C-N 3.32Å; H689-E691 PolarHBondContact O-N 2.86Å; E691-L693 VanDerWaalsContact C-N 3.32Å; E691-E694 WeakPolarHBondContact O-CB 3.32Å; E691-E694 PolarHBondContact O-N 3.08Å; E691-F695 PolarHBondContact O-N 3.41Å; E691-L926 HydrophobicContact CB-CB 4.24Å; E691-L926 HydrophobicContact CB-CD1 4.16Å
692	I	95.6	Very high	95	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-72.5	-28.5	171.1	-174.5	64.8	0	0	0	111.3	L654 L676 L683 H689 E694 F695 I696 L926	L654-I692 HydrophobicContact CD2-CD1 4.38Å; L676-I692 HydrophobicContact CD2-CD1 4.26Å; L683-I692 HydrophobicContact CB-CG2 4.06Å; L683-I692 HydrophobicContact CD1-CB 3.81Å; L683-I692 HydrophobicContact CD1-CD1 4.38Å; L683-I692 HydrophobicContact CD1-CG1 3.95Å; L683-I692 HydrophobicContact CD1-CG2 3.92Å; H689-I692 WeakPolarHBondContact O-CG2 3.4Å; I692-E694 VanDerWaalsContact C-N 3.31Å; I692-F695 HydrophobicContact CD1-CB 4.23Å; I692-F695 HydrophobicContact CD1-CD1 4.32Å; I692-F695 HydrophobicContact CD1-CG 4.41Å; I692-I696 HydrophobicContact CG1-CD1 4.39Å; I692-I696 WeakPolarHBondContact O-CD1 3.44Å; I692-I696 VanDerWaalsContact O-CG1 3.32Å; I692-I696 WeakPolarHBondContact O-CG1 3.41Å; I692-I696 PolarHBondContact O-N 3.37Å; I692-I696 VanDerWaalsContact O-N 3.08Å; I692-L926 HydrophobicContact CB-CD1 4.17Å
693	L	95.8	Very high	95	Very high	27 Å²	27	38 Å²	38	14%	0.141	19%	0.19	C	C	.	.	H	α-helix	trans	-68.8	-30.7	169	-61.7	178	0	0	0	111.6	H689 D690 E691 I696 R697 A733	H689-L693 WeakPolarHBondContact O-CG 3.4Å; H689-L693 PolarHBondContact O-N 3.47Å; D690-L693 CarbonylContact O-C 3.47Å; D690-L693 WeakPolarHBondContact O-CB 3.27Å; D690-L693 PolarHBondContact O-N 3.49Å; E691-L693 VanDerWaalsContact C-N 3.32Å; L693-I696 HydrophobicContact CD2-CD1 4.37Å; L693-I696 PolarHBondContact O-N 3.38Å; L693-R697 WeakPolarHBondContact O-CG 3.4Å; L693-R697 PolarHBondContact O-N 3.03Å; L693-A733 HydrophobicContact CD2-CB 4.38Å
694	E	96.3	Very high	94.9	Very high	101 Å²	101	38.4 Å²	38.4	47%	0.472	19%	0.194	S	C	.	.	H	α-helix	trans	-65.2	-50	171.4	-164.4	131.3	144.1	0	0	111.9	D690 E691 I692 I696 R697 D698	D690-E694 PolarHBondContact O-N 3.3Å; E691-E694 WeakPolarHBondContact O-CB 3.32Å; E691-E694 PolarHBondContact O-N 3.08Å; I692-E694 VanDerWaalsContact C-N 3.31Å; E694-I696 PolarHBondContact O-N 2.88Å; E694-R697 VanDerWaalsContact CA-NH2 3.27Å; E694-R697 VanDerWaalsContact CB-NH2 3.33Å; E694-R697 WeakPolarHBondContact O-CA 3.47Å; E694-R697 WeakPolarHBondContact O-CB 3.21Å; E694-R697 PolarHBondContact O-N 3.26Å; E694-R697 IonicContact OE2-CZ 3.76Å; E694-R697 IonicContact OE2-NH2 2.74Å; E694-R697 PolarHBondContact OE2-NH2 3.44Å; E694-D698 PolarHBondContact O-N 2.72Å
695	F	96	Very high	94.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-52.2	-43.4	172.6	-177.2	-83.3	0	0	0	112.1	L654 M657 E658 L676 E691 I692 D698 L699 Y925 L926	L654-F695 HydrophobicContact CB-CE2 4.34Å; L654-F695 HydrophobicContact CB-CZ 4.36Å; L654-F695 HydrophobicContact CD2-CD1 4.45Å; L654-F695 HydrophobicContact CD2-CE1 4.05Å; L654-F695 HydrophobicContact CD2-CE2 4.33Å; L654-F695 HydrophobicContact CD2-CZ 3.99Å; M657-F695 HydrophobicContact CB-CE1 4.38Å; M657-F695 HydrophobicContact CB-CZ 4.1Å; E658-F695 HydrophobicContact CG-CE2 3.75Å; E658-F695 HydrophobicContact CG-CZ 3.95Å; L676-F695 HydrophobicContact CD1-CE1 4.29Å; L676-F695 HydrophobicContact CD2-CD1 3.89Å; L676-F695 HydrophobicContact CD2-CE1 3.78Å; E691-F695 PolarHBondContact O-N 3.41Å; I692-F695 HydrophobicContact CD1-CB 4.23Å; I692-F695 HydrophobicContact CD1-CD1 4.32Å; I692-F695 HydrophobicContact CD1-CG 4.41Å; F695-D698 PolarHBondContact O-N 2.57Å; F695-L699 HydrophobicContact CE1-CD2 3.95Å; F695-L699 WeakPolarHBondContact O-CB 3.46Å; F695-L699 PolarHBondContact O-N 2.81Å; F695-Y925 HydrophobicContact CE2-CE1 4.22Å; F695-L926 HydrophobicContact CB-CD2 3.86Å; F695-L926 HydrophobicContact CD2-CD2 4.04Å; F695-L926 HydrophobicContact CG-CD2 4.24Å
696	I	96.1	Very high	95	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-38.2	176.7	-71.2	161.7	0	0	0	111.9	L676 I692 L693 E694 F700 K729 A733	L676-I696 HydrophobicContact CB-CD1 4.34Å; L676-I696 HydrophobicContact CB-CG1 4.26Å; L676-I696 HydrophobicContact CD1-CG1 4.39Å; L676-I696 HydrophobicContact CD2-CG1 4.28Å; I692-I696 HydrophobicContact CG1-CD1 4.39Å; I692-I696 WeakPolarHBondContact O-CD1 3.44Å; I692-I696 VanDerWaalsContact O-CG1 3.32Å; I692-I696 WeakPolarHBondContact O-CG1 3.41Å; I692-I696 PolarHBondContact O-N 3.37Å; I692-I696 VanDerWaalsContact O-N 3.08Å; L693-I696 HydrophobicContact CD2-CD1 4.37Å; L693-I696 PolarHBondContact O-N 3.38Å; E694-I696 PolarHBondContact O-N 2.88Å; I696-F700 HydrophobicContact CG2-CD2 4.26Å; I696-F700 WeakPolarHBondContact O-CB 3.34Å; I696-F700 WeakPolarHBondContact O-CD2 3.38Å; I696-F700 PolarHBondContact O-N 3.26Å; I696-K729 HydrophobicContact CG2-CD 4.02Å; I696-K729 HydrophobicContact CG2-CG 3.69Å; I696-A733 HydrophobicContact CB-CB 4.36Å; I696-A733 HydrophobicContact CG2-CB 3.76Å
697	R	96.3	Very high	95	Very high	52 Å²	52	47.2 Å²	47.2	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-50.6	174.5	-72.7	-178.8	-64.6	-94.4	6.1	110.7	L693 E694 L699 F700 A701 A733 H735	L693-R697 WeakPolarHBondContact O-CG 3.4Å; L693-R697 PolarHBondContact O-N 3.03Å; E694-R697 VanDerWaalsContact CA-NH2 3.27Å; E694-R697 VanDerWaalsContact CB-NH2 3.33Å; E694-R697 WeakPolarHBondContact O-CA 3.47Å; E694-R697 WeakPolarHBondContact O-CB 3.21Å; E694-R697 PolarHBondContact O-N 3.26Å; E694-R697 IonicContact OE2-CZ 3.76Å; E694-R697 IonicContact OE2-NH2 2.74Å; E694-R697 PolarHBondContact OE2-NH2 3.44Å; R697-L699 PolarHBondContact O-N 3.07Å; R697-F700 PolarHBondContact O-N 3.4Å; R697-A701 WeakPolarHBondContact O-CB 3.46Å; R697-A701 PolarHBondContact O-N 3.31Å; R697-A733 WeakPolarHBondContact CD-O 3.23Å; R697-A733 HydrophobicContact CG-CB 4.04Å; R697-A733 PolarHBondContact NH1-O 2.98Å; R697-H735 HydrophobicContact CG-CB 4.34Å
698	D	94.3	Very high	95	Very high	34 Å²	34	38.6 Å²	38.6	18%	0.182	20%	0.197	C	C	.	.	H	α-helix	trans	-57.7	-48	-178.9	-73.1	-3.2	0	0	0	112.6	E694 F695 P702 R929 A931	E694-D698 PolarHBondContact O-N 2.72Å; F695-D698 PolarHBondContact O-N 2.57Å; D698-P702 WeakPolarHBondContact O-CD 3.33Å; D698-R929 IonicContact OD2-CZ 3.4Å; D698-R929 VanDerWaalsContact OD2-CZ 3.26Å; D698-R929 IonicContact OD2-NH1 3.64Å; D698-R929 PolarHBondContact OD2-NH1 2.81Å; D698-R929 IonicContact OD2-NH2 3.53Å; D698-R929 PolarHBondContact OD2-NH2 3.26Å; D698-A931 WeakPolarHBondContact OD2-CB 3.38Å
699	L	94.1	Very high	95.1	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-70.7	-36.9	-175.1	-177.8	62.2	0	0	0	112.5	M657 W669 L676 F695 R697	M657-L699 HydrophobicContact CB-CD2 4.21Å; M657-L699 WeakPolarHBondContact O-CD1 3.26Å; W669-L699 HydrophobicContact CH2-CD1 4.22Å; W669-L699 HydrophobicContact CH2-CG 4.08Å; W669-L699 HydrophobicContact CZ3-CD2 4.43Å; W669-L699 HydrophobicContact CZ3-CG 4.04Å; L676-L699 HydrophobicContact CD1-CD2 3.84Å; F695-L699 HydrophobicContact CE1-CD2 3.95Å; F695-L699 WeakPolarHBondContact O-CB 3.46Å; F695-L699 PolarHBondContact O-N 2.81Å; R697-L699 PolarHBondContact O-N 3.07Å
700	F	95.8	Very high	95.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-90.9	-17.5	-176.1	-76.8	-103.7	0	0	0	113.8	W669 L676 I696 R697 I703 G704 L725 V726 K729 L730	W669-F700 HydrophobicContact CE3-CD1 4.08Å; W669-F700 AromaticContact CE3-CE1 3.51Å; W669-F700 HydrophobicContact CE3-CE1 3.51Å; W669-F700 HydrophobicContact CE3-CE2 4.26Å; W669-F700 AromaticContact CE3-CZ 3.61Å; W669-F700 HydrophobicContact CE3-CZ 3.61Å; W669-F700 HydrophobicContact CZ3-CD1 4.04Å; W669-F700 HydrophobicContact CZ3-CD2 4.12Å; W669-F700 AromaticContact CZ3-CE1 3.81Å; W669-F700 HydrophobicContact CZ3-CE1 3.81Å; W669-F700 AromaticContact CZ3-CE2 3.89Å; W669-F700 HydrophobicContact CZ3-CE2 3.89Å; W669-F700 HydrophobicContact CZ3-CG 4.19Å; W669-F700 AromaticContact CZ3-CZ 3.73Å; W669-F700 HydrophobicContact CZ3-CZ 3.73Å; L676-F700 HydrophobicContact CD1-CE2 3.89Å; I696-F700 HydrophobicContact CG2-CD2 4.26Å; I696-F700 WeakPolarHBondContact O-CB 3.34Å; I696-F700 WeakPolarHBondContact O-CD2 3.38Å; I696-F700 PolarHBondContact O-N 3.26Å; R697-F700 PolarHBondContact O-N 3.4Å; F700-I703 VanDerWaalsContact O-CG2 3.26Å; F700-I703 WeakPolarHBondContact O-CG2 3.42Å; F700-G704 PolarHBondContact O-N 3.41Å; F700-L725 HydrophobicContact CE1-CD2 4.04Å; F700-V726 HydrophobicContact CD1-CB 4.43Å; F700-V726 HydrophobicContact CD1-CG1 4.36Å; F700-V726 HydrophobicContact CD1-CG2 4.1Å; F700-V726 HydrophobicContact CE1-CG2 4.5Å; F700-K729 HydrophobicContact CD1-CB 3.94Å; F700-K729 HydrophobicContact CD1-CG 3.82Å; F700-K729 HydrophobicContact CD2-CG 4Å; F700-K729 HydrophobicContact CE1-CB 4.08Å; F700-K729 HydrophobicContact CE1-CG 3.79Å; F700-K729 HydrophobicContact CE2-CG 3.98Å; F700-K729 HydrophobicContact CG-CB 4.39Å; F700-K729 HydrophobicContact CG-CG 3.94Å; F700-K729 HydrophobicContact CZ-CD 4.48Å; F700-K729 HydrophobicContact CZ-CG 3.88Å; F700-L730 HydrophobicContact CB-CD2 3.74Å; F700-L730 HydrophobicContact CB-CG 3.87Å
701	A	95	Very high	95	Very high	12 Å²	12	39.9 Å²	39.9	10%	0.099	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-44.4	-176.9	0	0	0	0	0	114	R697 I703 G704 L705 L730	R697-A701 WeakPolarHBondContact O-CB 3.46Å; R697-A701 PolarHBondContact O-N 3.31Å; A701-I703 PolarHBondContact O-N 3.07Å; A701-G704 PolarHBondContact O-N 2.59Å; A701-L705 WeakPolarHBondContact O-CG 3.13Å; A701-L705 PolarHBondContact O-N 2.86Å; A701-L730 HydrophobicContact CB-CD2 4.39Å
702	P	94.4	Very high	94.8	Very high	28 Å²	28	41.3 Å²	41.3	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-46.6	179.8	-25.8	35.6	0	0	0	113.1	V661 D698 L705 K706	V661-P702 HydrophobicContact CG2-CB 4.42Å; V661-P702 HydrophobicContact CG2-CG 4.28Å; D698-P702 WeakPolarHBondContact O-CD 3.33Å; P702-L705 PolarHBondContact O-N 3.4Å; P702-K706 WeakPolarHBondContact O-CB 3.4Å; P702-K706 PolarHBondContact O-N 3.3Å
703	I	94.8	Very high	94.6	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.046	26%	0.259	C	S	.	.	H	α-helix	trans	-68.5	-34.9	176.7	-176	58.1	0	0	0	111.7	W669 F700 A701 K706 L707 L722 V726	W669-I703 HydrophobicContact CH2-CG2 3.91Å; W669-I703 HydrophobicContact CZ2-CB 4.15Å; W669-I703 HydrophobicContact CZ2-CG1 4.48Å; W669-I703 HydrophobicContact CZ2-CG2 3.74Å; W669-I703 HydrophobicContact CZ3-CG2 4.43Å; F700-I703 VanDerWaalsContact O-CG2 3.26Å; F700-I703 WeakPolarHBondContact O-CG2 3.42Å; A701-I703 PolarHBondContact O-N 3.07Å; I703-K706 HydrophobicContact CD1-CD 4.05Å; I703-K706 PolarHBondContact O-N 3.05Å; I703-L707 HydrophobicContact CD1-CD1 3.94Å; I703-L707 HydrophobicContact CD1-CG 4.05Å; I703-L707 HydrophobicContact CG1-CD1 3.81Å; I703-L707 HydrophobicContact CG1-CG 4.4Å; I703-L707 WeakPolarHBondContact O-CB 3.09Å; I703-L707 WeakPolarHBondContact O-CG 2.97Å; I703-L707 PolarHBondContact O-N 2.85Å; I703-L722 HydrophobicContact CD1-CD2 4.27Å; I703-L722 HydrophobicContact CG1-CD2 4.37Å; I703-V726 HydrophobicContact CG1-CG2 4.34Å; I703-V726 HydrophobicContact CG2-CG1 4.07Å; I703-V726 HydrophobicContact CG2-CG2 4.08Å
704	G	94.9	Very high	94.2	Very high	9 Å²	9	50.7 Å²	50.7	9%	0.093	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-40.7	173.6	0	0	0	0	0	113.7	F700 A701 G708 V726	F700-G704 PolarHBondContact O-N 3.41Å; A701-G704 PolarHBondContact O-N 2.59Å; G704-G708 PolarHBondContact O-N 3.29Å; G704-V726 VanDerWaalsContact CA-CG1 3.49Å
705	L	93.9	Very high	94	Very high	116 Å²	116	48.1 Å²	48.1	61%	0.607	28%	0.283	S	S	*	.	H	α-helix	trans	-67.4	-42.2	173.6	-69.8	169.1	0	0	0	111.5	A701 P702 V934	A701-L705 WeakPolarHBondContact O-CG 3.13Å; A701-L705 PolarHBondContact O-N 2.86Å; P702-L705 PolarHBondContact O-N 3.4Å; L705-V934 HydrophobicContact CD1-CG1 3.88Å
706	K	92.8	Very high	93.7	Very high	137 Å²	137	50.2 Å²	50.2	60%	0.596	30%	0.304	S	S	*	.	H	α-helix	trans	-60.7	-43.8	176.7	-175.9	-175	175.6	-171.2	0	112.2	P702 I703 K712	P702-K706 WeakPolarHBondContact O-CB 3.4Å; P702-K706 PolarHBondContact O-N 3.3Å; I703-K706 HydrophobicContact CD1-CD 4.05Å; I703-K706 PolarHBondContact O-N 3.05Å; K706-K712 PolarHBondContact O-NZ 2.94Å
707	L	94	Very high	93.5	Very high	12 Å²	12	51.2 Å²	51.2	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-76.5	-46.2	-179.8	-70.9	164.3	0	0	0	112.6	I703 K712 L722 R723 V726	I703-L707 HydrophobicContact CD1-CD1 3.94Å; I703-L707 HydrophobicContact CD1-CG 4.05Å; I703-L707 HydrophobicContact CG1-CD1 3.81Å; I703-L707 HydrophobicContact CG1-CG 4.4Å; I703-L707 WeakPolarHBondContact O-CB 3.09Å; I703-L707 WeakPolarHBondContact O-CG 2.97Å; I703-L707 PolarHBondContact O-N 2.85Å; L707-K712 VanDerWaalsContact C-NZ 3.35Å; L707-K712 WeakPolarHBondContact O-CE 3.18Å; L707-K712 PolarHBondContact O-NZ 3.07Å; L707-L722 HydrophobicContact CD1-CB 4.48Å; L707-L722 HydrophobicContact CD1-CD2 3.88Å; L707-L722 HydrophobicContact CD1-CG 3.69Å; L707-L722 HydrophobicContact CD2-CD2 4.41Å; L707-R723 PolarHBondContact O-NH2 2.9Å; L707-R723 VanDerWaalsContact O-NH2 3.17Å; L707-V726 HydrophobicContact CD1-CB 4.46Å; L707-V726 HydrophobicContact CD1-CG2 4.25Å
708	G	95.3	Very high	93.3	Very high	20 Å²	20	50.5 Å²	50.5	21%	0.206	31%	0.309	C	S	.	.			trans	65.4	-178.5	-173.3	0	0	0	0	0	113.7	G704 R723	G704-G708 PolarHBondContact O-N 3.29Å; G708-R723 WeakPolarHBondContact O-CD 3.5Å; G708-R723 PolarHBondContact O-NE 2.71Å
709	W	96	Very high	93.4	Very high	36 Å²	36	51.5 Å²	51.5	14%	0.136	31%	0.314	C	S	.	.	S	Bend	trans	-85.3	-26.6	-171.8	-78.4	88.7	0	0	0	115.3	L727 T738 E741 A742 L760 V764	W709-L727 HydrophobicContact CD2-CD1 3.84Å; W709-L727 HydrophobicContact CD2-CD2 4.23Å; W709-L727 HydrophobicContact CE3-CD1 3.7Å; W709-L727 HydrophobicContact CG-CD1 4.37Å; W709-L727 HydrophobicContact CH2-CD1 4.43Å; W709-L727 HydrophobicContact CZ2-CD2 4.06Å; W709-L727 HydrophobicContact CZ3-CD1 4Å; W709-T738 HydrophobicContact CH2-CG2 4.29Å; W709-T738 HydrophobicContact CZ2-CG2 3.81Å; W709-T738 WeakPolarHBondContact CZ2-O 3.31Å; W709-E741 HydrophobicContact CD2-CG 3.67Å; W709-E741 HydrophobicContact CE3-CG 4.36Å; W709-E741 HydrophobicContact CG-CG 3.88Å; W709-E741 HydrophobicContact CZ2-CB 3.9Å; W709-E741 HydrophobicContact CZ2-CG 3.86Å; W709-A742 HydrophobicContact CH2-CB 3.93Å; W709-L760 VanDerWaalsContact O-CD1 3.28Å; W709-L760 WeakPolarHBondContact O-CD1 3.16Å; W709-V764 HydrophobicContact CH2-CG2 4.13Å; W709-V764 HydrophobicContact CZ3-CG2 3.63Å
710	D	94.7	Very high	93.3	Very high	83 Å²	83	52.2 Å²	52.2	44%	0.444	32%	0.321	S	S	.	.	S	Bend	trans	-111.9	147.2	-175.8	-59.3	-73.4	0	0	0	109.8	R723 R745	D710-R723 PolarHBondContact O-NH2 3.34Å; D710-R745 IonicContact OD1-CZ 3.19Å; D710-R745 IonicContact OD1-NH1 3.54Å; D710-R745 PolarHBondContact OD1-NH1 3.41Å; D710-R745 IonicContact OD1-NH2 2.72Å; D710-R745 PolarHBondContact OD1-NH2 2.87Å; D710-R745 IonicContact OD2-CZ 2.73Å; D710-R745 IonicContact OD2-NH1 2.74Å; D710-R745 IonicContact OD2-NH2 2.74Å; D710-R745 PolarHBondContact OD2-NH2 3.13Å
711	S	92.3	Very high	93.3	Very high	90 Å²	90	52.9 Å²	52.9	63%	0.629	32%	0.324	S	S	*	.			trans	-75.3	147.5	-179.1	-175.2	0	0	0	0	112	E715	S711-E715 WeakPolarHBondContact CA-OE2 3.5Å; S711-E715 WeakPolarHBondContact CB-OE2 3.47Å; S711-E715 PolarHBondContact OG-OE2 3.23Å
712	K	92.8	Very high	93.4	Very high	93 Å²	93	52.5 Å²	52.5	40%	0.404	32%	0.32	S	S	.	.			trans	-114.9	152.4	-172.4	-60.8	165.3	-178.2	153.8	0	111.2	K706 L707 G714 E715	K706-K712 PolarHBondContact O-NZ 2.94Å; L707-K712 VanDerWaalsContact C-NZ 3.35Å; L707-K712 WeakPolarHBondContact O-CE 3.18Å; L707-K712 PolarHBondContact O-NZ 3.07Å; K712-G714 PolarHBondContact O-N 3.3Å; K712-E715 HydrophobicContact CB-CG 4.13Å; K712-E715 WeakPolarHBondContact CB-OE1 3.48Å; K712-E715 WeakPolarHBondContact CD-OE1 3.43Å; K712-E715 WeakPolarHBondContact CG-OE1 3.46Å; K712-E715 PolarHBondContact N-OE1 3.36Å; K712-E715 PolarHBondContact N-OE2 3.35Å; K712-E715 WeakPolarHBondContact O-CB 3.48Å; K712-E715 WeakPolarHBondContact O-CG 3.49Å; K712-E715 PolarHBondContact O-N 3.02Å
713	P	91.3	Very high	93.5	Very high	138 Å²	138	51.6 Å²	51.6	90%	0.896	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	126.9	175.1	-23.8	34.2	0	0	0	111.9
714	G	87.9	Confident	93.6	Very high	88 Å²	88	51.8 Å²	51.8	91%	0.907	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	96	-4.8	-179.7	0	0	0	0	0	115.5	K712	K712-G714 PolarHBondContact O-N 3.3Å
715	E	91.4	Very high	93.7	Very high	47 Å²	47	52.9 Å²	52.9	22%	0.22	32%	0.321	C	S	.	.			trans	-72.6	148.8	169.8	-70.4	179.2	-179.8	0	0	112.2	S711 K712 D719 R723	S711-E715 WeakPolarHBondContact CA-OE2 3.5Å; S711-E715 WeakPolarHBondContact CB-OE2 3.47Å; S711-E715 PolarHBondContact OG-OE2 3.23Å; K712-E715 HydrophobicContact CB-CG 4.13Å; K712-E715 WeakPolarHBondContact CB-OE1 3.48Å; K712-E715 WeakPolarHBondContact CD-OE1 3.43Å; K712-E715 WeakPolarHBondContact CG-OE1 3.46Å; K712-E715 PolarHBondContact N-OE1 3.36Å; K712-E715 PolarHBondContact N-OE2 3.35Å; K712-E715 WeakPolarHBondContact O-CB 3.48Å; K712-E715 WeakPolarHBondContact O-CG 3.49Å; K712-E715 PolarHBondContact O-N 3.02Å; E715-D719 WeakPolarHBondContact CA-OD2 3.38Å; E715-D719 HydrophobicContact CB-CB 3.83Å; E715-D719 HydrophobicContact CG-CB 4.01Å; E715-R723 IonicContact OE1-CZ 3.21Å; E715-R723 IonicContact OE1-NH2 2.71Å; E715-R723 PolarHBondContact OE1-NH2 2.97Å; E715-R723 IonicContact OE2-CZ 2.73Å; E715-R723 VanDerWaalsContact OE2-CZ 3.29Å; E715-R723 IonicContact OE2-NH1 3.54Å; E715-R723 PolarHBondContact OE2-NH1 3.19Å; E715-R723 IonicContact OE2-NH2 3.8Å; E715-R723 PolarHBondContact OE2-NH2 3.43Å
716	G	89.1	Confident	93.9	Very high	43 Å²	43	47.4 Å²	47.4	44%	0.443	29%	0.292	S	S	.	.			trans	-118	-165.2	179.3	0	0	0	0	0	114.5	L718 D719 A720	G716-L718 PolarHBondContact O-N 3.29Å; G716-D719 PolarHBondContact N-OD2 3.41Å; G716-D719 PolarHBondContact O-N 3.35Å; G716-A720 PolarHBondContact O-N 2.86Å
717	H	91.6	Very high	94.1	Very high	25 Å²	25	41.1 Å²	41.1	12%	0.116	27%	0.265	C	S	.	.	H	α-helix	trans	-53.8	-48.6	179.9	178.4	80.3	0	0	0	112.9	S357 Q361 Y410 D719 A720 L721	S357-H717 PolarHBondContact O-CE1 3.26Å; Q361-H717 PolarHBondContact OE1-NE2 3.03Å; Y410-H717 HydrophobicContact CD1-CB 4.15Å; Y410-H717 AromaticContact CD1-CD2 3.39Å; Y410-H717 WeakPolarHBondContact CD1-CD2 3.44Å; Y410-H717 AromaticContact CD1-CE1 3.63Å; Y410-H717 AromaticContact CD1-CG 3.54Å; Y410-H717 AromaticContact CD1-ND1 3.73Å; Y410-H717 AromaticContact CD1-NE2 3.44Å; Y410-H717 WeakPolarHBondContact CD1-NE2 3.15Å; Y410-H717 HydrophobicContact CE1-CB 4.37Å; Y410-H717 AromaticContact CE1-CE1 3.54Å; Y410-H717 AromaticContact CE1-CG 3.77Å; Y410-H717 AromaticContact CE1-ND1 3.5Å; Y410-H717 AromaticContact CE1-NE2 3.87Å; Y410-H717 AromaticContact CG-CD2 4Å; Y410-H717 AromaticContact CG-NE2 3.79Å; H717-D719 VanDerWaalsContact C-N 3.35Å; H717-D719 PolarHBondContact O-N 3.28Å; H717-A720 WeakPolarHBondContact O-CB 3.45Å; H717-A720 PolarHBondContact O-N 3.32Å; H717-L721 PolarHBondContact O-N 2.59Å
718	L	93.9	Very high	94.3	Very high	38 Å²	38	41 Å²	41	20%	0.199	27%	0.266	C	S	.	.	H	α-helix	trans	-65.8	-32.8	-178.6	-58.7	178.6	0	0	0	113.2	D411 Y666 G716 A720 L721 L722	D411-L718 HydrophobicContact CB-CD1 3.75Å; D411-L718 HydrophobicContact CB-CD2 4.29Å; Y666-L718 HydrophobicContact CD1-CD2 4.13Å; G716-L718 PolarHBondContact O-N 3.29Å; L718-A720 VanDerWaalsContact C-N 3.34Å; L718-L721 HydrophobicContact CD2-CD1 4.44Å; L718-L721 PolarHBondContact O-N 2.63Å; L718-L722 VanDerWaalsContact O-CB 3.28Å; L718-L722 WeakPolarHBondContact O-CB 3.43Å; L718-L722 PolarHBondContact O-N 2.62Å
719	D	94.7	Very high	94.4	Very high	54 Å²	54	41.1 Å²	41.1	29%	0.289	26%	0.261	S	S	.	.	H	α-helix	trans	-67.2	-36.1	176.7	-62.7	-73	0	0	0	111.8	E715 G716 H717 R723	E715-D719 WeakPolarHBondContact CA-OD2 3.38Å; E715-D719 HydrophobicContact CB-CB 3.83Å; E715-D719 HydrophobicContact CG-CB 4.01Å; G716-D719 PolarHBondContact N-OD2 3.41Å; G716-D719 PolarHBondContact O-N 3.35Å; H717-D719 VanDerWaalsContact C-N 3.35Å; H717-D719 PolarHBondContact O-N 3.28Å; D719-R723 WeakPolarHBondContact O-CB 3.39Å; D719-R723 PolarHBondContact O-N 3.27Å
720	A	93.6	Very high	94.5	Very high	19 Å²	19	39.6 Å²	39.6	16%	0.157	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-46.1	174.1	0	0	0	0	0	111.3	G716 H717 L718 G724	G716-A720 PolarHBondContact O-N 2.86Å; H717-A720 WeakPolarHBondContact O-CB 3.45Å; H717-A720 PolarHBondContact O-N 3.32Å; L718-A720 VanDerWaalsContact C-N 3.34Å; A720-G724 PolarHBondContact O-N 3.27Å; A720-G724 VanDerWaalsContact O-N 3.09Å
721	L	95.3	Very high	94.6	Very high	13 Å²	13	35.6 Å²	35.6	7%	0.068	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-48.3	176.4	-62.9	-179.2	0	0	0	112	Y666 H717 L718 R723 G724 L725	Y666-L721 HydrophobicContact CD1-CB 4.07Å; Y666-L721 HydrophobicContact CD1-CD1 3.8Å; Y666-L721 HydrophobicContact CD2-CB 3.53Å; Y666-L721 HydrophobicContact CE1-CB 4.11Å; Y666-L721 HydrophobicContact CE1-CD1 3.63Å; Y666-L721 HydrophobicContact CE1-CG 4.49Å; Y666-L721 HydrophobicContact CE2-CB 3.59Å; Y666-L721 HydrophobicContact CG-CB 3.78Å; Y666-L721 HydrophobicContact CG-CD1 4.34Å; H717-L721 PolarHBondContact O-N 2.59Å; L718-L721 HydrophobicContact CD2-CD1 4.44Å; L718-L721 PolarHBondContact O-N 2.63Å; L721-R723 PolarHBondContact O-N 2.89Å; L721-G724 PolarHBondContact O-N 3.16Å; L721-L725 WeakPolarHBondContact O-CB 3.34Å; L721-L725 PolarHBondContact O-N 2.8Å
722	L	96.7	Very high	94.7	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-42.7	179.6	-179.7	62.5	0	0	0	111.9	Y666 W669 I703 L707 L718 G724 L725 V726	Y666-L722 HydrophobicContact CD2-CB 4.25Å; W669-L722 HydrophobicContact CB-CD1 3.48Å; W669-L722 VanDerWaalsContact CB-CD1 3.48Å; W669-L722 HydrophobicContact CG-CD1 3.57Å; I703-L722 HydrophobicContact CD1-CD2 4.27Å; I703-L722 HydrophobicContact CG1-CD2 4.37Å; L707-L722 HydrophobicContact CD1-CB 4.48Å; L707-L722 HydrophobicContact CD1-CD2 3.88Å; L707-L722 HydrophobicContact CD1-CG 3.69Å; L707-L722 HydrophobicContact CD2-CD2 4.41Å; L718-L722 VanDerWaalsContact O-CB 3.28Å; L718-L722 WeakPolarHBondContact O-CB 3.43Å; L718-L722 PolarHBondContact O-N 2.62Å; L722-G724 PolarHBondContact O-N 3.33Å; L722-L725 PolarHBondContact O-N 3.03Å; L722-V726 HydrophobicContact CD1-CG2 3.66Å; L722-V726 HydrophobicContact CG-CG2 4.13Å; L722-V726 WeakPolarHBondContact O-CB 3.35Å; L722-V726 VanDerWaalsContact O-CG2 3.26Å; L722-V726 WeakPolarHBondContact O-CG2 3.47Å; L722-V726 PolarHBondContact O-N 3.41Å
723	R	97.3	Very high	94.9	Very high	9 Å²	9	31.3 Å²	31.3	3%	0.034	21%	0.205	C	C	.	.	H	α-helix	trans	-57.5	-49.4	173.8	173.8	-179.6	-69.4	106.9	-0.3	111.6	L707 G708 D710 E715 D719 L721 L725 L727 L760	L707-R723 PolarHBondContact O-NH2 2.9Å; L707-R723 VanDerWaalsContact O-NH2 3.17Å; G708-R723 WeakPolarHBondContact O-CD 3.5Å; G708-R723 PolarHBondContact O-NE 2.71Å; D710-R723 PolarHBondContact O-NH2 3.34Å; E715-R723 IonicContact OE1-CZ 3.21Å; E715-R723 IonicContact OE1-NH2 2.71Å; E715-R723 PolarHBondContact OE1-NH2 2.97Å; E715-R723 IonicContact OE2-CZ 2.73Å; E715-R723 VanDerWaalsContact OE2-CZ 3.29Å; E715-R723 IonicContact OE2-NH1 3.54Å; E715-R723 PolarHBondContact OE2-NH1 3.19Å; E715-R723 IonicContact OE2-NH2 3.8Å; E715-R723 PolarHBondContact OE2-NH2 3.43Å; D719-R723 WeakPolarHBondContact O-CB 3.39Å; D719-R723 PolarHBondContact O-N 3.27Å; L721-R723 PolarHBondContact O-N 2.89Å; R723-L725 VanDerWaalsContact C-N 3.32Å; R723-L725 PolarHBondContact O-N 2.6Å; R723-L727 HydrophobicContact CG-CD1 3.66Å; R723-L727 HydrophobicContact CG-CG 4.41Å; R723-L727 WeakPolarHBondContact O-CB 3.23Å; R723-L727 VanDerWaalsContact O-CG 3.28Å; R723-L727 WeakPolarHBondContact O-CG 3.5Å; R723-L727 PolarHBondContact O-N 2.71Å; R723-L760 HydrophobicContact CG-CD2 4.03Å
724	G	96.4	Very high	95.2	Very high	13 Å²	13	25.8 Å²	25.8	13%	0.134	17%	0.174	C	C	.	.	H	α-helix	trans	-58.9	-44.9	178.6	0	0	0	0	0	112	A720 L721 L722 G728 P763	A720-G724 PolarHBondContact O-N 3.27Å; A720-G724 VanDerWaalsContact O-N 3.09Å; L721-G724 PolarHBondContact O-N 3.16Å; L722-G724 PolarHBondContact O-N 3.33Å; G724-G728 PolarHBondContact O-N 2.87Å; G724-P763 WeakPolarHBondContact O-CB 3.47Å
725	L	97.3	Very high	95.6	Very high	33 Å²	33	23.5 Å²	23.5	17%	0.173	14%	0.139	C	C	.	.	H	α-helix	trans	-64.4	-50.9	178.9	-176.7	141.7	0	0	0	112.9	Y666 W669 F700 L721 L722 R723 G728 K729	Y666-L725 HydrophobicContact CE2-CB 4.4Å; Y666-L725 HydrophobicContact CE2-CD1 3.91Å; W669-L725 HydrophobicContact CB-CD2 4.26Å; F700-L725 HydrophobicContact CE1-CD2 4.04Å; L721-L725 WeakPolarHBondContact O-CB 3.34Å; L721-L725 PolarHBondContact O-N 2.8Å; L722-L725 PolarHBondContact O-N 3.03Å; R723-L725 VanDerWaalsContact C-N 3.32Å; R723-L725 PolarHBondContact O-N 2.6Å; L725-G728 PolarHBondContact O-N 3Å; L725-K729 WeakPolarHBondContact O-CB 3.38Å; L725-K729 PolarHBondContact O-N 2.99Å
726	V	97.6	Very high	95.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-65.1	-45.7	-176.8	169.2	0	0	0	0	111.2	F700 I703 G704 L707 L722 G728 K729 L730	F700-V726 HydrophobicContact CD1-CB 4.43Å; F700-V726 HydrophobicContact CD1-CG1 4.36Å; F700-V726 HydrophobicContact CD1-CG2 4.1Å; F700-V726 HydrophobicContact CE1-CG2 4.5Å; I703-V726 HydrophobicContact CG1-CG2 4.34Å; I703-V726 HydrophobicContact CG2-CG1 4.07Å; I703-V726 HydrophobicContact CG2-CG2 4.08Å; G704-V726 VanDerWaalsContact CA-CG1 3.49Å; L707-V726 HydrophobicContact CD1-CB 4.46Å; L707-V726 HydrophobicContact CD1-CG2 4.25Å; L722-V726 HydrophobicContact CD1-CG2 3.66Å; L722-V726 HydrophobicContact CG-CG2 4.13Å; L722-V726 WeakPolarHBondContact O-CB 3.35Å; L722-V726 VanDerWaalsContact O-CG2 3.26Å; L722-V726 WeakPolarHBondContact O-CG2 3.47Å; L722-V726 PolarHBondContact O-N 3.41Å; V726-G728 PolarHBondContact O-N 2.95Å; V726-K729 PolarHBondContact O-N 2.97Å; V726-L730 HydrophobicContact CG1-CD1 3.99Å; V726-L730 WeakPolarHBondContact O-CB 3.32Å; V726-L730 WeakPolarHBondContact O-CG 3.48Å; V726-L730 PolarHBondContact O-N 2.75Å
727	L	97.9	Very high	96.3	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	16%	0.163	C	C	.	.	H	α-helix	trans	-65.8	-38.7	177.9	-66.2	174	0	0	0	111.7	W709 R723 G731 T738 L760	W709-L727 HydrophobicContact CD2-CD1 3.84Å; W709-L727 HydrophobicContact CD2-CD2 4.23Å; W709-L727 HydrophobicContact CE3-CD1 3.7Å; W709-L727 HydrophobicContact CG-CD1 4.37Å; W709-L727 HydrophobicContact CH2-CD1 4.43Å; W709-L727 HydrophobicContact CZ2-CD2 4.06Å; W709-L727 HydrophobicContact CZ3-CD1 4Å; R723-L727 HydrophobicContact CG-CD1 3.66Å; R723-L727 HydrophobicContact CG-CG 4.41Å; R723-L727 WeakPolarHBondContact O-CB 3.23Å; R723-L727 VanDerWaalsContact O-CG 3.28Å; R723-L727 WeakPolarHBondContact O-CG 3.5Å; R723-L727 PolarHBondContact O-N 2.71Å; L727-G731 PolarHBondContact O-N 3.15Å; L727-T738 HydrophobicContact CD2-CG2 4.43Å; L727-T738 WeakPolarHBondContact O-CG2 3.35Å; L727-L760 HydrophobicContact CD1-CD2 3.94Å
728	G	96.9	Very high	96.6	Very high	8 Å²	8	29.3 Å²	29.3	8%	0.082	16%	0.159	C	C	.	.	H	α-helix	trans	-63.9	-39.8	174.5	0	0	0	0	0	113.1	G724 L725 V726 K732 P763	G724-G728 PolarHBondContact O-N 2.87Å; L725-G728 PolarHBondContact O-N 3Å; V726-G728 PolarHBondContact O-N 2.95Å; G728-K732 WeakPolarHBondContact O-CB 3.36Å; G728-K732 PolarHBondContact O-N 3.15Å; G728-P763 VanDerWaalsContact CA-CB 3.42Å
729	K	97.3	Very high	96.8	Very high	24 Å²	24	28.5 Å²	28.5	10%	0.104	16%	0.155	C	C	.	.	H	α-helix	trans	-65.8	-50.4	176.7	-168.9	69.7	157.9	-165.5	0	111.6	S673 I696 F700 L725 V726 G731 K732 A733	S673-K729 PolarHBondContact O-NZ 3.12Å; S673-K729 WeakPolarHBondContact OG-CD 3.3Å; S673-K729 PolarHBondContact OG-NZ 3.49Å; I696-K729 HydrophobicContact CG2-CD 4.02Å; I696-K729 HydrophobicContact CG2-CG 3.69Å; F700-K729 HydrophobicContact CD1-CB 3.94Å; F700-K729 HydrophobicContact CD1-CG 3.82Å; F700-K729 HydrophobicContact CD2-CG 4Å; F700-K729 HydrophobicContact CE1-CB 4.08Å; F700-K729 HydrophobicContact CE1-CG 3.79Å; F700-K729 HydrophobicContact CE2-CG 3.98Å; F700-K729 HydrophobicContact CG-CB 4.39Å; F700-K729 HydrophobicContact CG-CG 3.94Å; F700-K729 HydrophobicContact CZ-CD 4.48Å; F700-K729 HydrophobicContact CZ-CG 3.88Å; L725-K729 WeakPolarHBondContact O-CB 3.38Å; L725-K729 PolarHBondContact O-N 2.99Å; V726-K729 PolarHBondContact O-N 2.97Å; K729-G731 VanDerWaalsContact C-N 3.35Å; K729-G731 PolarHBondContact O-N 3.27Å; K729-K732 PolarHBondContact O-N 3.07Å; K729-A733 WeakPolarHBondContact O-CB 3.17Å; K729-A733 PolarHBondContact O-N 2.95Å
730	L	98.2	Very high	97	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-59.8	-43	176.7	-75.8	172.3	0	0	0	112.3	F700 A701 V726 A733 G734 H735 T738	F700-L730 HydrophobicContact CB-CD2 3.74Å; F700-L730 HydrophobicContact CB-CG 3.87Å; A701-L730 HydrophobicContact CB-CD2 4.39Å; V726-L730 HydrophobicContact CG1-CD1 3.99Å; V726-L730 WeakPolarHBondContact O-CB 3.32Å; V726-L730 WeakPolarHBondContact O-CG 3.48Å; V726-L730 PolarHBondContact O-N 2.75Å; L730-A733 CarbonylContact O-C 3.49Å; L730-A733 PolarHBondContact O-N 3.35Å; L730-G734 PolarHBondContact O-N 3.47Å; L730-G734 VanDerWaalsContact O-N 3.16Å; L730-H735 HydrophobicContact CB-CB 3.99Å; L730-H735 HydrophobicContact CD2-CB 4.02Å; L730-H735 WeakPolarHBondContact O-CB 3.35Å; L730-H735 PolarHBondContact O-N 3.27Å; L730-T738 HydrophobicContact CB-CG2 4.04Å
731	G	97.3	Very high	97.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-46.8	177	0	0	0	0	0	112.8	L727 K729 A733 G734 T767 H771	L727-G731 PolarHBondContact O-N 3.15Å; K729-G731 VanDerWaalsContact C-N 3.35Å; K729-G731 PolarHBondContact O-N 3.27Å; G731-A733 VanDerWaalsContact C-N 3.25Å; G731-A733 PolarHBondContact O-N 3.22Å; G731-G734 PolarHBondContact O-N 3.45Å; G731-G734 VanDerWaalsContact O-N 3.1Å; G731-T767 WeakPolarHBondContact CA-OG1 3.36Å; G731-H771 PolarHBondContact O-NE2 3.05Å
732	K	95.1	Very high	97.4	Very high	88 Å²	88	32.5 Å²	32.5	38%	0.383	17%	0.168	S	C	.	.	H	α-helix	trans	-61	-33.7	174.5	-169.7	174.7	-178.1	176.1	0	112.1	G728 K729 G734 L766	G728-K732 WeakPolarHBondContact O-CB 3.36Å; G728-K732 PolarHBondContact O-N 3.15Å; K729-K732 PolarHBondContact O-N 3.07Å; K732-G734 VanDerWaalsContact C-N 3.33Å; K732-L766 HydrophobicContact CB-CD2 4.43Å
733	A	96.6	Very high	97.4	Very high	5 Å²	5	38.4 Å²	38.4	4%	0.041	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	3.4	176.7	0	0	0	0	0	115.2	L693 I696 R697 K729 L730 G731	L693-A733 HydrophobicContact CD2-CB 4.38Å; I696-A733 HydrophobicContact CB-CB 4.36Å; I696-A733 HydrophobicContact CG2-CB 3.76Å; R697-A733 WeakPolarHBondContact CD-O 3.23Å; R697-A733 HydrophobicContact CG-CB 4.04Å; R697-A733 PolarHBondContact NH1-O 2.98Å; K729-A733 WeakPolarHBondContact O-CB 3.17Å; K729-A733 PolarHBondContact O-N 2.95Å; L730-A733 CarbonylContact O-C 3.49Å; L730-A733 PolarHBondContact O-N 3.35Å; G731-A733 VanDerWaalsContact C-N 3.25Å; G731-A733 PolarHBondContact O-N 3.22Å
734	G	96.4	Very high	97.5	Very high	22 Å²	22	42.5 Å²	42.5	23%	0.227	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	23	173.1	0	0	0	0	0	115.5	L730 G731 K732 K736	L730-G734 PolarHBondContact O-N 3.47Å; L730-G734 VanDerWaalsContact O-N 3.16Å; G731-G734 PolarHBondContact O-N 3.45Å; G731-G734 VanDerWaalsContact O-N 3.1Å; K732-G734 VanDerWaalsContact C-N 3.33Å; G734-K736 PolarHBondContact O-N 3.01Å; G734-K736 VanDerWaalsContact O-N 3.09Å
735	H	97.8	Very high	97.6	Very high	40 Å²	40	42.6 Å²	42.6	19%	0.185	20%	0.202	C	C	.	.			trans	-62.1	111.4	175	-177.7	-120.7	0	0	0	110.8	R697 L730 T738 L739	R697-H735 HydrophobicContact CG-CB 4.34Å; L730-H735 HydrophobicContact CB-CB 3.99Å; L730-H735 HydrophobicContact CD2-CB 4.02Å; L730-H735 WeakPolarHBondContact O-CB 3.35Å; L730-H735 PolarHBondContact O-N 3.27Å; H735-T738 PolarHBondContact ND1-OG1 3.07Å; H735-T738 WeakPolarHBondContact O-CB 3.4Å; H735-T738 PolarHBondContact O-N 3.25Å; H735-L739 PolarHBondContact O-N 2.86Å
736	K	96.9	Very high	97.6	Very high	156 Å²	156	42 Å²	42	68%	0.678	20%	0.198	S	C	*	.	H	α-helix	trans	-54.8	-49.1	-167.6	-63.6	174.7	-178.3	171.8	0	114.2	G734 T738 L739 E740	G734-K736 PolarHBondContact O-N 3.01Å; G734-K736 VanDerWaalsContact O-N 3.09Å; K736-T738 VanDerWaalsContact C-N 3.27Å; K736-T738 PolarHBondContact O-N 3.36Å; K736-L739 PolarHBondContact O-N 2.73Å; K736-L739 VanDerWaalsContact O-N 3.15Å; K736-E740 WeakPolarHBondContact O-CG 3.3Å; K736-E740 PolarHBondContact O-N 2.76Å
737	P	97.6	Very high	97.6	Very high	74 Å²	74	47.7 Å²	47.7	48%	0.481	22%	0.223	S	C	.	.	H	α-helix	trans	-60.7	-35.6	177.5	-22.8	34.2	0	0	0	113.1	E741	P737-E741 WeakPolarHBondContact O-CB 3.47Å; P737-E741 PolarHBondContact O-N 3.5Å; P737-E741 VanDerWaalsContact O-N 3.15Å
738	T	98.3	Very high	97.6	Very high	6 Å²	6	49.4 Å²	49.4	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-69.4	-40.5	176.9	-58.8	0	0	0	0	111.3	W709 L727 L730 H735 K736 A742	W709-T738 HydrophobicContact CH2-CG2 4.29Å; W709-T738 HydrophobicContact CZ2-CG2 3.81Å; W709-T738 WeakPolarHBondContact CZ2-O 3.31Å; L727-T738 HydrophobicContact CD2-CG2 4.43Å; L727-T738 WeakPolarHBondContact O-CG2 3.35Å; L730-T738 HydrophobicContact CB-CG2 4.04Å; H735-T738 PolarHBondContact ND1-OG1 3.07Å; H735-T738 WeakPolarHBondContact O-CB 3.4Å; H735-T738 PolarHBondContact O-N 3.25Å; K736-T738 VanDerWaalsContact C-N 3.27Å; K736-T738 PolarHBondContact O-N 3.36Å; T738-A742 WeakPolarHBondContact O-CB 3.44Å; T738-A742 PolarHBondContact O-N 2.89Å
739	L	97.9	Very high	97.6	Very high	22 Å²	22	50.6 Å²	50.6	12%	0.115	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-41.6	176.8	174.1	57.7	0	0	0	112.6	H735 K736 R743 T767 H771	H735-L739 PolarHBondContact O-N 2.86Å; K736-L739 PolarHBondContact O-N 2.73Å; K736-L739 VanDerWaalsContact O-N 3.15Å; L739-R743 HydrophobicContact CD1-CG 4.17Å; L739-R743 WeakPolarHBondContact O-CB 3.45Å; L739-R743 WeakPolarHBondContact O-CG 3.37Å; L739-R743 PolarHBondContact O-N 3.14Å; L739-T767 HydrophobicContact CB-CG2 4.37Å; L739-T767 HydrophobicContact CD1-CG2 3.79Å; L739-H771 HydrophobicContact CD1-CB 3.72Å; L739-H771 HydrophobicContact CD2-CB 3.94Å
740	E	98.3	Very high	97.5	Very high	130 Å²	130	52 Å²	52	61%	0.607	25%	0.245	S	C	*	.	H	α-helix	trans	-66.1	-46.4	179.8	-72.4	169	179.6	0	0	111.5	K736 R743 R744	K736-E740 WeakPolarHBondContact O-CG 3.3Å; K736-E740 PolarHBondContact O-N 2.76Å; E740-R743 PolarHBondContact O-N 3.02Å; E740-R744 PolarHBondContact O-N 3.21Å
741	E	98.4	Very high	97.4	Very high	40 Å²	40	56 Å²	56	19%	0.187	26%	0.263	C	S	.	.	H	α-helix	trans	-70	-36.6	177.1	179.9	63.5	175.6	0	0	112.5	W709 P737 R743 R744 R745	W709-E741 HydrophobicContact CD2-CG 3.67Å; W709-E741 HydrophobicContact CE3-CG 4.36Å; W709-E741 HydrophobicContact CG-CG 3.88Å; W709-E741 HydrophobicContact CZ2-CB 3.9Å; W709-E741 HydrophobicContact CZ2-CG 3.86Å; P737-E741 WeakPolarHBondContact O-CB 3.47Å; P737-E741 PolarHBondContact O-N 3.5Å; P737-E741 VanDerWaalsContact O-N 3.15Å; E741-R743 PolarHBondContact O-N 2.91Å; E741-R744 PolarHBondContact O-N 3.42Å; E741-R744 IonicContact OE1-CZ 3.53Å; E741-R744 IonicContact OE1-NE 3.25Å; E741-R744 IonicContact OE1-NH2 2.88Å; E741-R744 PolarHBondContact OE1-NH2 3.03Å; E741-R744 IonicContact OE2-CZ 3.47Å; E741-R744 IonicContact OE2-NE 2.72Å; E741-R744 PolarHBondContact OE2-NE 2.85Å; E741-R744 IonicContact OE2-NH2 2.85Å; E741-R744 PolarHBondContact OE2-NH2 2.89Å; E741-R745 PolarHBondContact O-N 2.9Å; E741-R745 IonicContact OE1-CZ 3.8Å; E741-R745 VanDerWaalsContact OE1-CZ 3.25Å; E741-R745 IonicContact OE1-NE 3.62Å; E741-R745 PolarHBondContact OE1-NE 2.87Å; E741-R745 IonicContact OE1-NH2 2.88Å; E741-R745 PolarHBondContact OE1-NH2 2.96Å
742	A	98.4	Very high	97.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58.8	-46.1	171.7	0	0	0	0	0	111.4	W709 T738 R744 R745 F746 V764 T767 V768	W709-A742 HydrophobicContact CH2-CB 3.93Å; T738-A742 WeakPolarHBondContact O-CB 3.44Å; T738-A742 PolarHBondContact O-N 2.89Å; A742-R744 PolarHBondContact O-N 3.1Å; A742-R745 PolarHBondContact O-N 3.14Å; A742-F746 WeakPolarHBondContact O-CB 3.2Å; A742-F746 PolarHBondContact O-N 3.12Å; A742-V764 HydrophobicContact CB-CG1 4.36Å; A742-V764 HydrophobicContact CB-CG2 4.42Å; A742-V764 WeakPolarHBondContact O-CG1 3.35Å; A742-T767 HydrophobicContact CB-CG2 3.67Å; A742-V768 HydrophobicContact CB-CG1 4.47Å
743	R	98.4	Very high	97.2	Very high	127 Å²	127	63 Å²	63	48%	0.479	31%	0.31	S	S	.	.	H	α-helix	trans	-63.1	-39	176.4	-77.2	172.7	168.8	177.5	-2.3	112.1	L739 E740 E741 K747 V768 H771	L739-R743 HydrophobicContact CD1-CG 4.17Å; L739-R743 WeakPolarHBondContact O-CB 3.45Å; L739-R743 WeakPolarHBondContact O-CG 3.37Å; L739-R743 PolarHBondContact O-N 3.14Å; E740-R743 PolarHBondContact O-N 3.02Å; E741-R743 PolarHBondContact O-N 2.91Å; R743-K747 WeakPolarHBondContact O-CB 3.5Å; R743-K747 PolarHBondContact O-N 3.14Å; R743-K747 VanDerWaalsContact O-N 3.09Å; R743-V768 HydrophobicContact CG-CG1 4.01Å; R743-H771 PolarHBondContact NH2-O 3Å
744	R	98.3	Very high	97.1	Very high	96 Å²	96	67.4 Å²	67.4	36%	0.362	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-55	175.4	-169.6	-171.9	68.2	79.5	4.5	111.4	E740 E741 A742 F746 K747 E748	E740-R744 PolarHBondContact O-N 3.21Å; E741-R744 PolarHBondContact O-N 3.42Å; E741-R744 IonicContact OE1-CZ 3.53Å; E741-R744 IonicContact OE1-NE 3.25Å; E741-R744 IonicContact OE1-NH2 2.88Å; E741-R744 PolarHBondContact OE1-NH2 3.03Å; E741-R744 IonicContact OE2-CZ 3.47Å; E741-R744 IonicContact OE2-NE 2.72Å; E741-R744 PolarHBondContact OE2-NE 2.85Å; E741-R744 IonicContact OE2-NH2 2.85Å; E741-R744 PolarHBondContact OE2-NH2 2.89Å; A742-R744 PolarHBondContact O-N 3.1Å; R744-F746 PolarHBondContact O-N 2.83Å; R744-K747 PolarHBondContact O-N 2.94Å; R744-E748 WeakPolarHBondContact CG-OE1 3.48Å; R744-E748 IonicContact CZ-OE1 3.83Å; R744-E748 IonicContact CZ-OE2 3.61Å; R744-E748 IonicContact NH1-OE1 3.61Å; R744-E748 PolarHBondContact NH1-OE1 3.25Å; R744-E748 IonicContact NH1-OE2 2.71Å; R744-E748 PolarHBondContact NH1-OE2 3.02Å; R744-E748 PolarHBondContact O-N 3.18Å
745	R	98.2	Very high	96.9	Very high	15 Å²	15	70.7 Å²	70.7	6%	0.057	35%	0.345	C	S	.	.	H	α-helix	trans	-65.4	-37.7	-178.6	-65.5	-174.1	-177.3	-121.6	-11.1	112.8	D710 E741 A742 E748 H749 L756	D710-R745 IonicContact OD1-CZ 3.19Å; D710-R745 IonicContact OD1-NH1 3.54Å; D710-R745 PolarHBondContact OD1-NH1 3.41Å; D710-R745 IonicContact OD1-NH2 2.72Å; D710-R745 PolarHBondContact OD1-NH2 2.87Å; D710-R745 IonicContact OD2-CZ 2.73Å; D710-R745 IonicContact OD2-NH1 2.74Å; D710-R745 IonicContact OD2-NH2 2.74Å; D710-R745 PolarHBondContact OD2-NH2 3.13Å; E741-R745 PolarHBondContact O-N 2.9Å; E741-R745 IonicContact OE1-CZ 3.8Å; E741-R745 VanDerWaalsContact OE1-CZ 3.25Å; E741-R745 IonicContact OE1-NE 3.62Å; E741-R745 PolarHBondContact OE1-NE 2.87Å; E741-R745 IonicContact OE1-NH2 2.88Å; E741-R745 PolarHBondContact OE1-NH2 2.96Å; A742-R745 PolarHBondContact O-N 3.14Å; R745-E748 PolarHBondContact O-N 3.05Å; R745-H749 WeakPolarHBondContact O-CB 3.41Å; R745-H749 PolarHBondContact O-N 3Å; R745-L756 HydrophobicContact CB-CD2 3.92Å
746	F	98.4	Very high	96.7	Very high	19 Å²	19	69 Å²	69	8%	0.083	34%	0.338	C	S	.	.	H	α-helix	trans	-60.1	-46.7	174	-177.8	-111.8	0	0	0	111.7	A742 R744 E748 H749 V750 V764 Y765 V768 T779 M780 L783	A742-F746 WeakPolarHBondContact O-CB 3.2Å; A742-F746 PolarHBondContact O-N 3.12Å; R744-F746 PolarHBondContact O-N 2.83Å; F746-E748 PolarHBondContact O-N 3.44Å; F746-H749 PolarHBondContact O-N 2.71Å; F746-V750 HydrophobicContact CD1-CG2 4.39Å; F746-V750 HydrophobicContact CD2-CG2 4.33Å; F746-V750 HydrophobicContact CE1-CG2 3.99Å; F746-V750 HydrophobicContact CE2-CG2 3.92Å; F746-V750 HydrophobicContact CZ-CG2 3.74Å; F746-V750 WeakPolarHBondContact O-CG2 3.41Å; F746-V750 PolarHBondContact O-N 2.82Å; F746-V764 HydrophobicContact CB-CG1 3.71Å; F746-V764 HydrophobicContact CD2-CG1 4.34Å; F746-V764 HydrophobicContact CG-CG1 4.45Å; F746-Y765 AromaticContact CD2-CD1 3.9Å; F746-Y765 HydrophobicContact CD2-CD1 3.9Å; F746-Y765 HydrophobicContact CD2-CE1 4.09Å; F746-Y765 AromaticContact CE2-CD1 3.86Å; F746-Y765 HydrophobicContact CE2-CD1 3.86Å; F746-Y765 AromaticContact CE2-CE1 3.99Å; F746-Y765 HydrophobicContact CE2-CE1 3.99Å; F746-V768 HydrophobicContact CB-CG1 3.83Å; F746-V768 HydrophobicContact CD1-CB 4.34Å; F746-V768 HydrophobicContact CD1-CG1 4.18Å; F746-V768 HydrophobicContact CD1-CG2 3.95Å; F746-V768 HydrophobicContact CD2-CG2 4.04Å; F746-V768 HydrophobicContact CE1-CG2 4.09Å; F746-V768 HydrophobicContact CE2-CG2 4.19Å; F746-V768 HydrophobicContact CG-CB 4.46Å; F746-V768 HydrophobicContact CG-CG1 4.02Å; F746-V768 HydrophobicContact CG-CG2 3.92Å; F746-V768 HydrophobicContact CZ-CG2 4.21Å; F746-T779 HydrophobicContact CE1-CG2 4.05Å; F746-T779 HydrophobicContact CZ-CG2 3.84Å; F746-M780 HydrophobicContact CE2-SD 3.43Å; F746-M780 WeakPolarHBondContact CE2-SD 3.42Å; F746-M780 HydrophobicContact CZ-CG 4.32Å; F746-M780 HydrophobicContact CZ-SD 3.49Å; F746-M780 WeakPolarHBondContact CZ-SD 3.48Å; F746-L783 HydrophobicContact CE2-CD1 3.85Å; F746-L783 HydrophobicContact CZ-CD1 4.19Å
747	K	97.8	Very high	96.6	Very high	122 Å²	122	64.4 Å²	64.4	53%	0.53	32%	0.324	S	S	.	.	H	α-helix	trans	-60.1	-46.6	176.6	-180	177.4	177.1	177.8	0	111.7	R743 R744 H749 V750 E751	R743-K747 WeakPolarHBondContact O-CB 3.5Å; R743-K747 PolarHBondContact O-N 3.14Å; R743-K747 VanDerWaalsContact O-N 3.09Å; R744-K747 PolarHBondContact O-N 2.94Å; K747-H749 VanDerWaalsContact C-N 3.27Å; K747-H749 PolarHBondContact O-N 3.42Å; K747-V750 PolarHBondContact O-N 3.35Å; K747-E751 WeakPolarHBondContact CE-OE1 3.43Å; K747-E751 HydrophobicContact CG-CG 4.27Å; K747-E751 IonicContact NZ-OE1 3.59Å; K747-E751 VanDerWaalsContact O-CB 3.31Å; K747-E751 WeakPolarHBondContact O-CB 3.48Å; K747-E751 VanDerWaalsContact O-CG 3.32Å; K747-E751 WeakPolarHBondContact O-CG 3.32Å; K747-E751 PolarHBondContact O-N 3.37Å
748	E	97.7	Very high	96.4	Very high	41 Å²	41	61.1 Å²	61.1	19%	0.192	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-30.2	179.2	-73.1	164.8	-169.3	0	0	113.1	R744 R745 F746 A752 K753 Q754	R744-E748 WeakPolarHBondContact CG-OE1 3.48Å; R744-E748 IonicContact CZ-OE1 3.83Å; R744-E748 IonicContact CZ-OE2 3.61Å; R744-E748 IonicContact NH1-OE1 3.61Å; R744-E748 PolarHBondContact NH1-OE1 3.25Å; R744-E748 IonicContact NH1-OE2 2.71Å; R744-E748 PolarHBondContact NH1-OE2 3.02Å; R744-E748 PolarHBondContact O-N 3.18Å; R745-E748 PolarHBondContact O-N 3.05Å; F746-E748 PolarHBondContact O-N 3.44Å; E748-A752 PolarHBondContact O-N 3.41Å; E748-K753 HydrophobicContact CB-CB 4.33Å; E748-K753 PolarHBondContact O-N 3.2Å; E748-Q754 CarbonylContact C-O 3.57Å; E748-Q754 HydrophobicContact CB-CB 4.38Å; E748-Q754 PolarHBondContact O-N 3.24Å
749	H	96.3	Very high	96.2	Very high	33 Å²	33	62.9 Å²	62.9	15%	0.153	31%	0.312	C	S	.	.	H	α-helix	trans	-70.6	-47.6	172.3	-176.5	37	0	0	0	112.4	R745 F746 K747 E751 A752 Q754 L756 Y765	R745-H749 WeakPolarHBondContact O-CB 3.41Å; R745-H749 PolarHBondContact O-N 3Å; F746-H749 PolarHBondContact O-N 2.71Å; K747-H749 VanDerWaalsContact C-N 3.27Å; K747-H749 PolarHBondContact O-N 3.42Å; H749-E751 VanDerWaalsContact C-N 3.31Å; H749-E751 PolarHBondContact O-N 3.06Å; H749-A752 WeakPolarHBondContact O-CA 3.28Å; H749-A752 PolarHBondContact O-N 2.91Å; H749-Q754 WeakPolarHBondContact CA-O 3.39Å; H749-Q754 PolarHBondContact N-O 3.05Å; H749-L756 HydrophobicContact CB-CB 4.35Å; H749-L756 HydrophobicContact CB-CD1 3.89Å; H749-L756 HydrophobicContact CB-CG 3.95Å; H749-Y765 PolarHBondContact NE2-OH 3.1Å
750	V	96.1	Very high	96.1	Very high	54 Å²	54	62.1 Å²	62.1	33%	0.327	31%	0.308	S	S	.	.	H	α-helix	trans	-65.5	-33.5	177.5	172.3	0	0	0	0	112.1	F746 K747 A752 T779 L783	F746-V750 HydrophobicContact CD1-CG2 4.39Å; F746-V750 HydrophobicContact CD2-CG2 4.33Å; F746-V750 HydrophobicContact CE1-CG2 3.99Å; F746-V750 HydrophobicContact CE2-CG2 3.92Å; F746-V750 HydrophobicContact CZ-CG2 3.74Å; F746-V750 WeakPolarHBondContact O-CG2 3.41Å; F746-V750 PolarHBondContact O-N 2.82Å; K747-V750 PolarHBondContact O-N 3.35Å; V750-A752 PolarHBondContact O-N 2.95Å; V750-T779 HydrophobicContact CB-CG2 4.42Å; V750-T779 HydrophobicContact CG1-CG2 3.78Å; V750-T779 HydrophobicContact CG2-CG2 3.71Å; V750-L783 HydrophobicContact CG2-CD1 4.11Å
751	E	95.7	Very high	96.1	Very high	85 Å²	85	56.4 Å²	56.4	40%	0.397	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	4.2	172.9	-67.5	-179.7	161.8	0	0	113.2	K747 H749 K753	K747-E751 WeakPolarHBondContact CE-OE1 3.43Å; K747-E751 HydrophobicContact CG-CG 4.27Å; K747-E751 IonicContact NZ-OE1 3.59Å; K747-E751 VanDerWaalsContact O-CB 3.31Å; K747-E751 WeakPolarHBondContact O-CB 3.48Å; K747-E751 VanDerWaalsContact O-CG 3.32Å; K747-E751 WeakPolarHBondContact O-CG 3.32Å; K747-E751 PolarHBondContact O-N 3.37Å; H749-E751 VanDerWaalsContact C-N 3.31Å; H749-E751 PolarHBondContact O-N 3.06Å; E751-K753 HydrophobicContact CB-CD 4.08Å; E751-K753 HydrophobicContact CB-CG 4.15Å; E751-K753 PolarHBondContact O-N 3.46Å; E751-K753 VanDerWaalsContact O-N 3.13Å; E751-K753 VanDerWaalsContact OE2-CE 3.28Å; E751-K753 WeakPolarHBondContact OE2-CE 3.43Å; E751-K753 IonicContact OE2-NZ 2.74Å; E751-K753 PolarHBondContact OE2-NZ 2.7Å
752	A	93.3	Very high	95.9	Very high	88 Å²	88	56.6 Å²	56.6	73%	0.727	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	24.9	-178.4	0	0	0	0	0	115.4	E748 H749 V750	E748-A752 PolarHBondContact O-N 3.41Å; H749-A752 WeakPolarHBondContact O-CA 3.28Å; H749-A752 PolarHBondContact O-N 2.91Å; V750-A752 PolarHBondContact O-N 2.95Å
753	K	95.2	Very high	95.9	Very high	149 Å²	149	57 Å²	57	65%	0.648	29%	0.289	S	S	*	.	S	Bend	trans	-81.1	-39.8	178	-69.3	172.6	177.2	169.1	0	112.4	E748 E751	E748-K753 HydrophobicContact CB-CB 4.33Å; E748-K753 PolarHBondContact O-N 3.2Å; E751-K753 HydrophobicContact CB-CD 4.08Å; E751-K753 HydrophobicContact CB-CG 4.15Å; E751-K753 PolarHBondContact O-N 3.46Å; E751-K753 VanDerWaalsContact O-N 3.13Å; E751-K753 VanDerWaalsContact OE2-CE 3.28Å; E751-K753 WeakPolarHBondContact OE2-CE 3.43Å; E751-K753 IonicContact OE2-NZ 2.74Å; E751-K753 PolarHBondContact OE2-NZ 2.7Å
754	Q	93.6	Very high	95.9	Very high	96 Å²	96	50.9 Å²	50.9	45%	0.449	27%	0.266	S	S	.	.	S	Bend	trans	-146	122.7	175.4	-176.9	171.5	-11.2	0	0	108.9	E748 H749	E748-Q754 CarbonylContact C-O 3.57Å; E748-Q754 HydrophobicContact CB-CB 4.38Å; E748-Q754 PolarHBondContact O-N 3.24Å; H749-Q754 WeakPolarHBondContact CA-O 3.39Å; H749-Q754 PolarHBondContact N-O 3.05Å
755	V	92.1	Very high	95.9	Very high	92 Å²	92	46.4 Å²	46.4	56%	0.558	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-72.6	132.7	178.3	178.9	0	0	0	0	109.7	P757	V755-P757 WeakPolarHBondContact O-CD 3.24Å
756	L	94.4	Very high	95.8	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.026	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-68.1	127.2	172	-90.7	166.9	0	0	0	110.7	R745 H749 L760 R761 V764 Y765	R745-L756 HydrophobicContact CB-CD2 3.92Å; H749-L756 HydrophobicContact CB-CB 4.35Å; H749-L756 HydrophobicContact CB-CD1 3.89Å; H749-L756 HydrophobicContact CB-CG 3.95Å; L756-L760 HydrophobicContact CD2-CB 4.1Å; L756-R761 HydrophobicContact CB-CG 3.76Å; L756-R761 PolarHBondContact O-NE 3.18Å; L756-R761 PolarHBondContact O-NH2 2.9Å; L756-V764 HydrophobicContact CD1-CB 4.13Å; L756-V764 HydrophobicContact CD1-CG1 3.82Å; L756-V764 HydrophobicContact CD1-CG2 4.49Å; L756-V764 HydrophobicContact CD2-CG2 4.07Å; L756-Y765 HydrophobicContact CD1-CE1 4.33Å
757	P	94.1	Very high	95.8	Very high	59 Å²	59	46.4 Å²	46.4	38%	0.383	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-53.7	143.4	166.8	-25.4	34.8	0	0	0	111.2	V755 D759 L760 R761	V755-P757 WeakPolarHBondContact O-CD 3.24Å; P757-D759 VanDerWaalsContact C-N 3.33Å; P757-D759 PolarHBondContact O-N 3.05Å; P757-L760 HydrophobicContact CB-CD1 4.29Å; P757-L760 HydrophobicContact CB-CG 4.36Å; P757-L760 HydrophobicContact CG-CD1 4.04Å; P757-L760 PolarHBondContact O-N 3.02Å; P757-R761 PolarHBondContact O-N 3.11Å
758	A	93.9	Very high	95.8	Very high	5 Å²	5	40.9 Å²	40.9	4%	0.041	23%	0.227	C	C	.	.	H	α-helix	trans	-54.5	-45.8	-171.6	0	0	0	0	0	113.1	N354 C356 L760 R761	N354-A758 WeakPolarHBondContact O-CB 3.49Å; C356-A758 HydrophobicContact CB-CB 3.85Å; A758-L760 PolarHBondContact O-N 3.39Å; A758-R761 PolarHBondContact O-N 2.98Å
759	D	94	Very high	95.8	Very high	42 Å²	42	38.9 Å²	38.9	23%	0.225	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-22	179.6	-49.4	-80.5	0	0	0	113.5	C356 S357 P757 P763	C356-D759 HydrophobicContact CB-CB 4.48Å; C356-D759 VanDerWaalsContact CB-OD1 3.27Å; C356-D759 WeakPolarHBondContact CB-OD1 3.19Å; S357-D759 WeakPolarHBondContact CB-OD1 3.43Å; S357-D759 PolarHBondContact N-OD1 3.41Å; P757-D759 VanDerWaalsContact C-N 3.33Å; P757-D759 PolarHBondContact O-N 3.05Å; D759-P763 VanDerWaalsContact O-CD 3.3Å; D759-P763 WeakPolarHBondContact O-CD 3.37Å
760	L	96.4	Very high	95.8	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-94.6	-14.3	179.2	-60.5	-178.7	0	0	0	113.4	W709 R723 L727 L756 P757 A758 P763 V764	W709-L760 VanDerWaalsContact O-CD1 3.28Å; W709-L760 WeakPolarHBondContact O-CD1 3.16Å; R723-L760 HydrophobicContact CG-CD2 4.03Å; L727-L760 HydrophobicContact CD1-CD2 3.94Å; L756-L760 HydrophobicContact CD2-CB 4.1Å; P757-L760 HydrophobicContact CB-CD1 4.29Å; P757-L760 HydrophobicContact CB-CG 4.36Å; P757-L760 HydrophobicContact CG-CD1 4.04Å; P757-L760 PolarHBondContact O-N 3.02Å; A758-L760 PolarHBondContact O-N 3.39Å; L760-P763 WeakPolarHBondContact O-CD 3.5Å; L760-P763 WeakPolarHBondContact O-CG 3.28Å; L760-V764 VanDerWaalsContact O-CB 3.24Å; L760-V764 WeakPolarHBondContact O-CB 2.96Å; L760-V764 WeakPolarHBondContact O-CG2 3.48Å; L760-V764 PolarHBondContact O-N 2.8Å
761	R	96.5	Very high	95.9	Very high	10 Å²	10	39.9 Å²	39.9	4%	0.038	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-54.9	179.7	-70.4	179.2	-159.6	174.1	3.3	111.3	N354 L756 P757 A758 V764 Y765 E792	N354-R761 PolarHBondContact OD1-NH1 3.1Å; N354-R761 PolarHBondContact OD1-NH2 3.16Å; L756-R761 HydrophobicContact CB-CG 3.76Å; L756-R761 PolarHBondContact O-NE 3.18Å; L756-R761 PolarHBondContact O-NH2 2.9Å; P757-R761 PolarHBondContact O-N 3.11Å; A758-R761 PolarHBondContact O-N 2.98Å; R761-V764 PolarHBondContact O-N 3.34Å; R761-Y765 HydrophobicContact CB-CD2 4.32Å; R761-Y765 HydrophobicContact CB-CE1 4.33Å; R761-Y765 HydrophobicContact CB-CE2 3.8Å; R761-Y765 HydrophobicContact CG-CE2 4.49Å; R761-Y765 WeakPolarHBondContact O-CB 3.48Å; R761-Y765 WeakPolarHBondContact O-CD1 3.15Å; R761-Y765 WeakPolarHBondContact O-CD2 3.41Å; R761-Y765 PolarHBondContact O-N 3.46Å; R761-E792 WeakPolarHBondContact CD-OE2 3.09Å; R761-E792 IonicContact CZ-OE2 3.8Å; R761-E792 IonicContact NE-OE2 2.68Å; R761-E792 IonicContact NH1-OE2 3.86Å; R761-E792 PolarHBondContact NH1-OE2 2.88Å
762	S	95.8	Very high	95.9	Very high	43 Å²	43	37.2 Å²	37.2	30%	0.301	21%	0.214	S	C	.	.	H	α-helix	trans	-52.4	-54	179	-49.6	0	0	0	0	113.7	L766	S762-L766 VanDerWaalsContact O-CB 3.22Å; S762-L766 WeakPolarHBondContact O-CB 3.48Å; S762-L766 PolarHBondContact O-N 2.91Å
763	P	97.2	Very high	96	Very high	8 Å²	8	37.1 Å²	37.1	5%	0.052	20%	0.201	C	C	.	.	H	α-helix	trans	-68.3	-34.9	179.3	27.1	-36.1	0	0	0	113.4	G724 G728 D759 L760 T767	G724-P763 WeakPolarHBondContact O-CB 3.47Å; G728-P763 VanDerWaalsContact CA-CB 3.42Å; D759-P763 VanDerWaalsContact O-CD 3.3Å; D759-P763 WeakPolarHBondContact O-CD 3.37Å; L760-P763 WeakPolarHBondContact O-CD 3.5Å; L760-P763 WeakPolarHBondContact O-CG 3.28Å; P763-T767 VanDerWaalsContact O-CB 3.29Å; P763-T767 WeakPolarHBondContact O-CB 3.34Å; P763-T767 PolarHBondContact O-N 3.49Å; P763-T767 PolarHBondContact O-OG1 3.12Å
764	V	98.6	Very high	96.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67.7	-48.8	176.5	170.3	0	0	0	0	111	W709 A742 F746 L756 L760 R761 L766 T767 V768	W709-V764 HydrophobicContact CH2-CG2 4.13Å; W709-V764 HydrophobicContact CZ3-CG2 3.63Å; A742-V764 HydrophobicContact CB-CG1 4.36Å; A742-V764 HydrophobicContact CB-CG2 4.42Å; A742-V764 WeakPolarHBondContact O-CG1 3.35Å; F746-V764 HydrophobicContact CB-CG1 3.71Å; F746-V764 HydrophobicContact CD2-CG1 4.34Å; F746-V764 HydrophobicContact CG-CG1 4.45Å; L756-V764 HydrophobicContact CD1-CB 4.13Å; L756-V764 HydrophobicContact CD1-CG1 3.82Å; L756-V764 HydrophobicContact CD1-CG2 4.49Å; L756-V764 HydrophobicContact CD2-CG2 4.07Å; L760-V764 VanDerWaalsContact O-CB 3.24Å; L760-V764 WeakPolarHBondContact O-CB 2.96Å; L760-V764 WeakPolarHBondContact O-CG2 3.48Å; L760-V764 PolarHBondContact O-N 2.8Å; R761-V764 PolarHBondContact O-N 3.34Å; V764-L766 PolarHBondContact O-N 3.36Å; V764-T767 PolarHBondContact O-N 3.06Å; V764-T767 VanDerWaalsContact O-N 3.13Å; V764-V768 HydrophobicContact CG1-CG1 4.46Å; V764-V768 PolarHBondContact O-N 3.27Å
765	Y	98.2	Very high	96.3	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-58.9	-47.5	177.9	-62.5	-14.1	0	0	0	111.6	F746 H749 L756 R761 T767 V768 L769 M780 L783 E792 R795 I796 V799	F746-Y765 AromaticContact CD2-CD1 3.9Å; F746-Y765 HydrophobicContact CD2-CD1 3.9Å; F746-Y765 HydrophobicContact CD2-CE1 4.09Å; F746-Y765 AromaticContact CE2-CD1 3.86Å; F746-Y765 HydrophobicContact CE2-CD1 3.86Å; F746-Y765 AromaticContact CE2-CE1 3.99Å; F746-Y765 HydrophobicContact CE2-CE1 3.99Å; H749-Y765 PolarHBondContact NE2-OH 3.1Å; L756-Y765 HydrophobicContact CD1-CE1 4.33Å; R761-Y765 HydrophobicContact CB-CD2 4.32Å; R761-Y765 HydrophobicContact CB-CE1 4.33Å; R761-Y765 HydrophobicContact CB-CE2 3.8Å; R761-Y765 HydrophobicContact CG-CE2 4.49Å; R761-Y765 WeakPolarHBondContact O-CB 3.48Å; R761-Y765 WeakPolarHBondContact O-CD1 3.15Å; R761-Y765 WeakPolarHBondContact O-CD2 3.41Å; R761-Y765 PolarHBondContact O-N 3.46Å; Y765-T767 VanDerWaalsContact C-N 3.29Å; Y765-T767 PolarHBondContact O-N 3.02Å; Y765-V768 WeakPolarHBondContact O-CG2 2.98Å; Y765-V768 PolarHBondContact O-N 3.1Å; Y765-L769 WeakPolarHBondContact O-CB 3.12Å; Y765-L769 WeakPolarHBondContact O-CG 3.38Å; Y765-L769 PolarHBondContact O-N 2.85Å; Y765-M780 HydrophobicContact CD1-CE 3.96Å; Y765-M780 HydrophobicContact CD1-SD 4.08Å; Y765-M780 HydrophobicContact CD2-CE 3.66Å; Y765-M780 HydrophobicContact CE1-CE 4.42Å; Y765-M780 HydrophobicContact CE2-CE 4.14Å; Y765-M780 HydrophobicContact CG-CE 3.55Å; Y765-M780 HydrophobicContact CG-SD 4.19Å; Y765-L783 HydrophobicContact CE1-CD1 4.43Å; Y765-E792 WeakPolarHBondContact CE2-OE1 3.24Å; Y765-E792 PolarHBondContact OH-OE1 3.26Å; Y765-R795 HydrophobicContact CD2-CG 4.43Å; Y765-R795 HydrophobicContact CE2-CG 4.38Å; Y765-I796 HydrophobicContact CD2-CG1 4.03Å; Y765-I796 HydrophobicContact CE2-CD1 4.38Å; Y765-I796 HydrophobicContact CE2-CG1 3.71Å; Y765-V799 HydrophobicContact CD2-CG2 4.42Å
766	L	97.3	Very high	96.6	Very high	34 Å²	34	26.3 Å²	26.3	18%	0.178	17%	0.165	C	C	.	.	H	α-helix	trans	-54.5	-45.4	173.7	173.1	62.1	0	0	0	111.5	K732 S762 V764 K770 V799 A802	K732-L766 HydrophobicContact CB-CD2 4.43Å; S762-L766 VanDerWaalsContact O-CB 3.22Å; S762-L766 WeakPolarHBondContact O-CB 3.48Å; S762-L766 PolarHBondContact O-N 2.91Å; V764-L766 PolarHBondContact O-N 3.36Å; L766-K770 WeakPolarHBondContact O-CB 3.34Å; L766-K770 PolarHBondContact O-N 3.26Å; L766-V799 HydrophobicContact CB-CG1 4.16Å; L766-A802 HydrophobicContact CD1-CB 3.73Å
767	T	98.1	Very high	96.8	Very high	1 Å²	1	26 Å²	26	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-67.9	-46.5	-178.1	-58.4	0	0	0	0	112	G731 L739 A742 P763 V764 Y765 H771	G731-T767 WeakPolarHBondContact CA-OG1 3.36Å; L739-T767 HydrophobicContact CB-CG2 4.37Å; L739-T767 HydrophobicContact CD1-CG2 3.79Å; A742-T767 HydrophobicContact CB-CG2 3.67Å; P763-T767 VanDerWaalsContact O-CB 3.29Å; P763-T767 WeakPolarHBondContact O-CB 3.34Å; P763-T767 PolarHBondContact O-N 3.49Å; P763-T767 PolarHBondContact O-OG1 3.12Å; V764-T767 PolarHBondContact O-N 3.06Å; V764-T767 VanDerWaalsContact O-N 3.13Å; Y765-T767 VanDerWaalsContact C-N 3.29Å; Y765-T767 PolarHBondContact O-N 3.02Å; T767-H771 PolarHBondContact O-CD2 3.31Å; T767-H771 PolarHBondContact O-N 3.06Å
768	V	98.1	Very high	96.9	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.03	17%	0.166	C	C	.	.	H	α-helix	trans	-69.8	-36.8	-179.7	-59	0	0	0	0	112.1	A742 R743 F746 V764 Y765 H771 G772 T776	A742-V768 HydrophobicContact CB-CG1 4.47Å; R743-V768 HydrophobicContact CG-CG1 4.01Å; F746-V768 HydrophobicContact CB-CG1 3.83Å; F746-V768 HydrophobicContact CD1-CB 4.34Å; F746-V768 HydrophobicContact CD1-CG1 4.18Å; F746-V768 HydrophobicContact CD1-CG2 3.95Å; F746-V768 HydrophobicContact CD2-CG2 4.04Å; F746-V768 HydrophobicContact CE1-CG2 4.09Å; F746-V768 HydrophobicContact CE2-CG2 4.19Å; F746-V768 HydrophobicContact CG-CB 4.46Å; F746-V768 HydrophobicContact CG-CG1 4.02Å; F746-V768 HydrophobicContact CG-CG2 3.92Å; F746-V768 HydrophobicContact CZ-CG2 4.21Å; V764-V768 HydrophobicContact CG1-CG1 4.46Å; V764-V768 PolarHBondContact O-N 3.27Å; Y765-V768 WeakPolarHBondContact O-CG2 2.98Å; Y765-V768 PolarHBondContact O-N 3.1Å; V768-H771 CarbonylContact O-C 3.6Å; V768-G772 WeakPolarHBondContact O-CA 3.46Å; V768-G772 PolarHBondContact O-N 2.97Å; V768-T776 HydrophobicContact CB-CG2 4.31Å; V768-T776 HydrophobicContact CG2-CG2 4.19Å
769	L	97.7	Very high	97.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-69	-41.9	174.8	-79.4	164	0	0	0	112.4	Y765 H771 G772 T776 L777 M780 V799 L800 A802 I803	Y765-L769 WeakPolarHBondContact O-CB 3.12Å; Y765-L769 WeakPolarHBondContact O-CG 3.38Å; Y765-L769 PolarHBondContact O-N 2.85Å; L769-H771 PolarHBondContact O-N 3.09Å; L769-G772 PolarHBondContact O-N 3.48Å; L769-T776 HydrophobicContact CD2-CG2 4.35Å; L769-L777 HydrophobicContact CD2-CD1 4.42Å; L769-M780 HydrophobicContact CD1-CE 4.37Å; L769-M780 HydrophobicContact CD1-CG 3.92Å; L769-M780 HydrophobicContact CD2-CB 4.41Å; L769-M780 HydrophobicContact CD2-CG 3.86Å; L769-M780 HydrophobicContact CG-CG 3.89Å; L769-V799 HydrophobicContact CD1-CB 4.33Å; L769-V799 HydrophobicContact CD1-CG2 3.92Å; L769-V799 WeakPolarHBondContact CD1-O 3.45Å; L769-L800 HydrophobicContact CD1-CD2 4.49Å; L769-A802 HydrophobicContact CB-CB 4.06Å; L769-I803 HydrophobicContact CD2-CB 4.47Å; L769-I803 WeakPolarHBondContact O-CD1 3.48Å
770	K	96.6	Very high	97.3	Very high	52 Å²	52	26.8 Å²	26.8	23%	0.226	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-34.6	-179.2	-179.9	57.5	-169.4	170.2	0	112.5	L766 A802 S804	L766-K770 WeakPolarHBondContact O-CB 3.34Å; L766-K770 PolarHBondContact O-N 3.26Å; K770-A802 HydrophobicContact CB-CB 4.34Å; K770-S804 PolarHBondContact NZ-OG 3.41Å
771	H	96.4	Very high	97.4	Very high	56 Å²	56	27.4 Å²	27.4	26%	0.259	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	33.8	178.1	-54.2	-76.5	0	0	0	111.3	G731 L739 R743 T767 V768 L769	G731-H771 PolarHBondContact O-NE2 3.05Å; L739-H771 HydrophobicContact CD1-CB 3.72Å; L739-H771 HydrophobicContact CD2-CB 3.94Å; R743-H771 PolarHBondContact NH2-O 3Å; T767-H771 PolarHBondContact O-CD2 3.31Å; T767-H771 PolarHBondContact O-N 3.06Å; V768-H771 CarbonylContact O-C 3.6Å; L769-H771 PolarHBondContact O-N 3.09Å
772	G	95.6	Very high	97.4	Very high	29 Å²	29	32.4 Å²	32.4	30%	0.299	19%	0.19	S	C	.	.			trans	-115.9	-176.3	-171	0	0	0	0	0	114.4	V768 L769	V768-G772 WeakPolarHBondContact O-CA 3.46Å; V768-G772 PolarHBondContact O-N 2.97Å; L769-G772 PolarHBondContact O-N 3.48Å
773	D	96.4	Very high	97.5	Very high	85 Å²	85	31.7 Å²	31.7	46%	0.455	18%	0.183	S	C	.	.			trans	-135.8	-169.1	-173.2	71.7	-13.7	0	0	0	112.3	A775 T776 L777	D773-A775 PolarHBondContact O-N 3.08Å; D773-A775 PolarHBondContact OD1-N 3.33Å; D773-T776 PolarHBondContact N-OG1 2.84Å; D773-T776 WeakPolarHBondContact O-CB 3.36Å; D773-T776 PolarHBondContact O-N 2.92Å; D773-T776 WeakPolarHBondContact OD1-CB 3.26Å; D773-T776 PolarHBondContact OD1-N 2.73Å; D773-T776 PolarHBondContact OD1-OG1 3.39Å; D773-L777 PolarHBondContact O-N 3.41Å
774	G	97.6	Very high	97.4	Very high	24 Å²	24	31.3 Å²	31.3	25%	0.247	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-41.1	177.9	0	0	0	0	0	113.3	T776 L777 D778	G774-T776 VanDerWaalsContact C-N 3.33Å; G774-T776 PolarHBondContact O-N 2.93Å; G774-L777 PolarHBondContact O-N 3.27Å; G774-D778 PolarHBondContact O-N 2.89Å
775	A	97.7	Very high	97.2	Very high	60 Å²	60	36.6 Å²	36.6	50%	0.496	20%	0.204	S	C	.	.	H	α-helix	trans	-67.7	-34.3	178	0	0	0	0	0	112.3	D773 T779	D773-A775 PolarHBondContact O-N 3.08Å; D773-A775 PolarHBondContact OD1-N 3.33Å; A775-T779 WeakPolarHBondContact O-CB 3.24Å; A775-T779 PolarHBondContact O-N 3.13Å; A775-T779 PolarHBondContact O-OG1 2.58Å
776	T	97.6	Very high	96.9	Very high	26 Å²	26	42.8 Å²	42.8	16%	0.16	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-48.2	171.5	-50.6	0	0	0	0	110.6	V768 L769 D773 G774 T779 M780	V768-T776 HydrophobicContact CB-CG2 4.31Å; V768-T776 HydrophobicContact CG2-CG2 4.19Å; L769-T776 HydrophobicContact CD2-CG2 4.35Å; D773-T776 PolarHBondContact N-OG1 2.84Å; D773-T776 WeakPolarHBondContact O-CB 3.36Å; D773-T776 PolarHBondContact O-N 2.92Å; D773-T776 WeakPolarHBondContact OD1-CB 3.26Å; D773-T776 PolarHBondContact OD1-N 2.73Å; D773-T776 PolarHBondContact OD1-OG1 3.39Å; G774-T776 VanDerWaalsContact C-N 3.33Å; G774-T776 PolarHBondContact O-N 2.93Å; T776-T779 WeakPolarHBondContact O-CB 3.37Å; T776-T779 PolarHBondContact O-N 3.23Å; T776-M780 WeakPolarHBondContact O-CG 3.44Å; T776-M780 PolarHBondContact O-N 3.35Å
777	L	98.2	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-44.9	176.9	177.1	59.5	0	0	0	112.1	L769 D773 G774 T779 M780 L781 L800 L808 K811 V812	L769-L777 HydrophobicContact CD2-CD1 4.42Å; D773-L777 PolarHBondContact O-N 3.41Å; G774-L777 PolarHBondContact O-N 3.27Å; L777-T779 VanDerWaalsContact C-N 3.27Å; L777-T779 PolarHBondContact O-N 3.02Å; L777-M780 PolarHBondContact O-N 3.01Å; L777-M780 VanDerWaalsContact O-N 3.13Å; L777-L781 HydrophobicContact CD1-CD1 4.16Å; L777-L781 HydrophobicContact CD1-CG 4.09Å; L777-L781 HydrophobicContact CG-CD1 4.03Å; L777-L781 HydrophobicContact CG-CG 4.41Å; L777-L781 WeakPolarHBondContact O-CG 3.44Å; L777-L781 PolarHBondContact O-N 2.91Å; L777-L800 HydrophobicContact CD1-CD2 3.86Å; L777-L808 HydrophobicContact CD2-CB 4.02Å; L777-L808 HydrophobicContact CD2-CD2 4.2Å; L777-K811 HydrophobicContact CD2-CB 4.39Å; L777-K811 HydrophobicContact CD2-CD 3.94Å; L777-K811 HydrophobicContact CD2-CG 4.24Å; L777-V812 HydrophobicContact CD1-CG2 3.75Å; L777-V812 HydrophobicContact CD2-CG2 4Å
778	D	98.1	Very high	96	Very high	82 Å²	82	47.1 Å²	47.1	44%	0.439	26%	0.258	S	S	.	.	H	α-helix	trans	-63.7	-32.8	177.6	-76	-40.9	0	0	0	112.5	G774 K782 K811	G774-D778 PolarHBondContact O-N 2.89Å; D778-K782 WeakPolarHBondContact O-CB 3.34Å; D778-K782 PolarHBondContact O-N 3.47Å; D778-K811 VanDerWaalsContact CG-NZ 3.33Å; D778-K811 IonicContact OD1-NZ 3.12Å; D778-K811 PolarHBondContact OD1-NZ 2.97Å; D778-K811 IonicContact OD2-NZ 2.75Å; D778-K811 PolarHBondContact OD2-NZ 2.93Å
779	T	98.1	Very high	95.6	Very high	39 Å²	39	47.9 Å²	47.9	24%	0.239	26%	0.262	C	S	.	.	H	α-helix	trans	-66.3	-42.6	171.7	-57.1	0	0	0	0	111.6	F746 V750 A775 T776 L777 K782 L783	F746-T779 HydrophobicContact CE1-CG2 4.05Å; F746-T779 HydrophobicContact CZ-CG2 3.84Å; V750-T779 HydrophobicContact CB-CG2 4.42Å; V750-T779 HydrophobicContact CG1-CG2 3.78Å; V750-T779 HydrophobicContact CG2-CG2 3.71Å; A775-T779 WeakPolarHBondContact O-CB 3.24Å; A775-T779 PolarHBondContact O-N 3.13Å; A775-T779 PolarHBondContact O-OG1 2.58Å; T776-T779 WeakPolarHBondContact O-CB 3.37Å; T776-T779 PolarHBondContact O-N 3.23Å; L777-T779 VanDerWaalsContact C-N 3.27Å; L777-T779 PolarHBondContact O-N 3.02Å; T779-K782 WeakPolarHBondContact O-CB 3.4Å; T779-K782 PolarHBondContact O-N 2.95Å; T779-L783 WeakPolarHBondContact O-CG 3.26Å; T779-L783 PolarHBondContact O-N 2.89Å
780	M	98	Very high	95.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67.5	-40.8	177.5	-69	-59.7	-51.1	0	0	112.7	F746 Y765 L769 T776 L777 K782 L783 H784 I796 L800	F746-M780 HydrophobicContact CE2-SD 3.43Å; F746-M780 WeakPolarHBondContact CE2-SD 3.42Å; F746-M780 HydrophobicContact CZ-CG 4.32Å; F746-M780 HydrophobicContact CZ-SD 3.49Å; F746-M780 WeakPolarHBondContact CZ-SD 3.48Å; Y765-M780 HydrophobicContact CD1-CE 3.96Å; Y765-M780 HydrophobicContact CD1-SD 4.08Å; Y765-M780 HydrophobicContact CD2-CE 3.66Å; Y765-M780 HydrophobicContact CE1-CE 4.42Å; Y765-M780 HydrophobicContact CE2-CE 4.14Å; Y765-M780 HydrophobicContact CG-CE 3.55Å; Y765-M780 HydrophobicContact CG-SD 4.19Å; L769-M780 HydrophobicContact CD1-CE 4.37Å; L769-M780 HydrophobicContact CD1-CG 3.92Å; L769-M780 HydrophobicContact CD2-CB 4.41Å; L769-M780 HydrophobicContact CD2-CG 3.86Å; L769-M780 HydrophobicContact CG-CG 3.89Å; T776-M780 WeakPolarHBondContact O-CG 3.44Å; T776-M780 PolarHBondContact O-N 3.35Å; L777-M780 PolarHBondContact O-N 3.01Å; L777-M780 VanDerWaalsContact O-N 3.13Å; M780-K782 VanDerWaalsContact C-N 3.29Å; M780-K782 PolarHBondContact O-N 2.81Å; M780-L783 PolarHBondContact O-N 2.99Å; M780-L783 HydrophobicContact SD-CD1 4.04Å; M780-H784 PolarHBondContact O-N 2.86Å; M780-I796 HydrophobicContact CE-CB 4.22Å; M780-I796 HydrophobicContact CE-CD1 4.4Å; M780-I796 HydrophobicContact CE-CG1 3.78Å; M780-I796 HydrophobicContact CE-CG2 3.7Å; M780-L800 HydrophobicContact CB-CD2 3.86Å
781	L	97.8	Very high	95.2	Very high	21 Å²	21	47 Å²	47	11%	0.11	26%	0.258	C	S	.	.	H	α-helix	trans	-64.8	-33.7	173.9	-67.6	172.3	0	0	0	111.8	L777 K785 L800 F815	L777-L781 HydrophobicContact CD1-CD1 4.16Å; L777-L781 HydrophobicContact CD1-CG 4.09Å; L777-L781 HydrophobicContact CG-CD1 4.03Å; L777-L781 HydrophobicContact CG-CG 4.41Å; L777-L781 WeakPolarHBondContact O-CG 3.44Å; L777-L781 PolarHBondContact O-N 2.91Å; L781-K785 WeakPolarHBondContact O-CD 3.15Å; L781-K785 WeakPolarHBondContact O-CG 3.49Å; L781-K785 PolarHBondContact O-N 3.11Å; L781-L800 HydrophobicContact CD2-CD1 3.89Å; L781-L800 HydrophobicContact CD2-CD2 4.31Å; L781-F815 HydrophobicContact CD2-CD1 3.97Å; L781-F815 HydrophobicContact CD2-CD2 3.87Å; L781-F815 HydrophobicContact CD2-CE1 3.93Å; L781-F815 HydrophobicContact CD2-CE2 3.81Å; L781-F815 HydrophobicContact CD2-CG 3.94Å; L781-F815 HydrophobicContact CD2-CZ 3.83Å
782	K	97	Very high	95.1	Very high	114 Å²	114	45 Å²	45	50%	0.496	25%	0.249	S	C	.	.	H	α-helix	trans	-65.7	-45.1	170.8	-175	-166.7	172.9	-161	0	111.7	D778 T779 M780 H784 K785 Q786	D778-K782 WeakPolarHBondContact O-CB 3.34Å; D778-K782 PolarHBondContact O-N 3.47Å; T779-K782 WeakPolarHBondContact O-CB 3.4Å; T779-K782 PolarHBondContact O-N 2.95Å; M780-K782 VanDerWaalsContact C-N 3.29Å; M780-K782 PolarHBondContact O-N 2.81Å; K782-H784 VanDerWaalsContact C-N 3.34Å; K782-H784 PolarHBondContact O-N 3.38Å; K782-K785 PolarHBondContact O-N 3.02Å; K782-Q786 VanDerWaalsContact CE-OE1 3.26Å; K782-Q786 VanDerWaalsContact O-CG 3.3Å; K782-Q786 WeakPolarHBondContact O-CG 3.33Å; K782-Q786 PolarHBondContact O-N 2.8Å; K782-Q786 VanDerWaalsContact O-N 3.08Å
783	L	96.6	Very high	95.1	Very high	29 Å²	29	46.1 Å²	46.1	15%	0.152	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-43.2	177.2	-72.4	175.1	0	0	0	111.7	F746 V750 Y765 T779 M780 Q786 A787 I796	F746-L783 HydrophobicContact CE2-CD1 3.85Å; F746-L783 HydrophobicContact CZ-CD1 4.19Å; V750-L783 HydrophobicContact CG2-CD1 4.11Å; Y765-L783 HydrophobicContact CE1-CD1 4.43Å; T779-L783 WeakPolarHBondContact O-CG 3.26Å; T779-L783 PolarHBondContact O-N 2.89Å; M780-L783 PolarHBondContact O-N 2.99Å; M780-L783 HydrophobicContact SD-CD1 4.04Å; L783-Q786 CarbonylContact O-C 3.23Å; L783-Q786 PolarHBondContact O-N 2.78Å; L783-Q786 VanDerWaalsContact O-N 3.12Å; L783-A787 PolarHBondContact O-N 2.88Å; L783-I796 HydrophobicContact CB-CD1 3.83Å
784	H	96.7	Very high	95	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.5	-49.4	175.5	172	-81.6	0	0	0	112.3	M780 K782 Q786 A787 K793 I796 E797 F815 E820	M780-H784 PolarHBondContact O-N 2.86Å; K782-H784 VanDerWaalsContact C-N 3.34Å; K782-H784 PolarHBondContact O-N 3.38Å; H784-Q786 PolarHBondContact O-N 2.85Å; H784-A787 WeakPolarHBondContact O-CB 3.48Å; H784-A787 PolarHBondContact O-N 3.05Å; H784-A787 VanDerWaalsContact O-N 3.13Å; H784-K793 WeakPolarHBondContact O-CE 3.38Å; H784-I796 HydrophobicContact CB-CB 4.47Å; H784-I796 HydrophobicContact CB-CD1 4.22Å; H784-I796 HydrophobicContact CB-CG2 4Å; H784-E797 IonicContact CD2-OE1 2.73Å; H784-E797 IonicContact CE1-OE1 3.22Å; H784-E797 IonicContact NE2-OE1 2.76Å; H784-E797 PolarHBondContact NE2-OE1 3.47Å; H784-F815 AromaticContact CE1-CZ 3.69Å; H784-F815 AromaticContact ND1-CZ 3.78Å; H784-F815 AromaticContact NE2-CZ 4Å; H784-E820 PolarHBondContact CE1-O 3.23Å
785	K	93.3	Very high	94.9	Very high	111 Å²	111	41.8 Å²	41.8	48%	0.483	22%	0.216	S	C	.	.	H	α-helix	trans	-61.6	-25	175.9	-73.9	167.4	169.1	-71.4	0	113.9	L781 K782 E820	L781-K785 WeakPolarHBondContact O-CD 3.15Å; L781-K785 WeakPolarHBondContact O-CG 3.49Å; L781-K785 PolarHBondContact O-N 3.11Å; K782-K785 PolarHBondContact O-N 3.02Å; K785-E820 IonicContact NZ-OE1 2.78Å; K785-E820 PolarHBondContact NZ-OE1 3.13Å; K785-E820 IonicContact NZ-OE2 2.76Å; K785-E820 PolarHBondContact NZ-OE2 2.7Å
786	Q	92.1	Very high	94.9	Very high	131 Å²	131	38.9 Å²	38.9	61%	0.612	19%	0.192	S	C	*	.	H	α-helix	trans	-95	-4	179.2	-67.7	-172.1	-65.3	0	0	113.6	K782 L783 H784	K782-Q786 VanDerWaalsContact CE-OE1 3.26Å; K782-Q786 VanDerWaalsContact O-CG 3.3Å; K782-Q786 WeakPolarHBondContact O-CG 3.33Å; K782-Q786 PolarHBondContact O-N 2.8Å; K782-Q786 VanDerWaalsContact O-N 3.08Å; L783-Q786 CarbonylContact O-C 3.23Å; L783-Q786 PolarHBondContact O-N 2.78Å; L783-Q786 VanDerWaalsContact O-N 3.12Å; H784-Q786 PolarHBondContact O-N 2.85Å
787	A	91.5	Very high	94.9	Very high	16 Å²	16	37.7 Å²	37.7	13%	0.132	19%	0.185	C	C	.	.			trans	-81.9	125.4	-179.3	0	0	0	0	0	112.1	L783 H784 E792 K793	L783-A787 PolarHBondContact O-N 2.88Å; H784-A787 WeakPolarHBondContact O-CB 3.48Å; H784-A787 PolarHBondContact O-N 3.05Å; H784-A787 VanDerWaalsContact O-N 3.13Å; A787-E792 HydrophobicContact CB-CB 4.05Å; A787-E792 HydrophobicContact CB-CG 3.97Å; A787-K793 HydrophobicContact CB-CG 3.88Å; A787-K793 WeakPolarHBondContact O-CE 3.44Å
788	D	85.9	Confident	94.7	Very high	109 Å²	109	43.6 Å²	43.6	58%	0.583	21%	0.207	S	C	*	.			trans	-82.1	-33.2	171.9	171	56.4	0	0	0	112.7	K291	K291-D788 WeakPolarHBondContact CE-OD1 3.47Å; K291-D788 WeakPolarHBondContact CE-OD2 3.3Å; K291-D788 VanDerWaalsContact NZ-CG 3.27Å; K291-D788 PolarHBondContact NZ-O 2.99Å; K291-D788 IonicContact NZ-OD1 3.32Å; K291-D788 PolarHBondContact NZ-OD1 3.46Å; K291-D788 IonicContact NZ-OD2 3.13Å; K291-D788 PolarHBondContact NZ-OD2 2.64Å
789	M	89.8	Confident	94.6	Very high	22 Å²	22	40.5 Å²	40.5	11%	0.108	19%	0.191	C	C	.	.	S	Bend	trans	-81.7	126.5	177.8	-70.6	168.3	60.6	0	0	111.1	D351 N354 S355 E791 E792 K793	D351-M789 HydrophobicContact CB-CE 3.73Å; D351-M789 HydrophobicContact CB-SD 3.68Å; N354-M789 HydrophobicContact CB-CE 3.84Å; N354-M789 HydrophobicContact CB-SD 3.42Å; N354-M789 WeakPolarHBondContact CB-SD 3.47Å; S355-M789 WeakPolarHBondContact OG-CE 3.42Å; M789-E791 HydrophobicContact CE-CB 4.17Å; M789-E791 VanDerWaalsContact CE-OE2 3.24Å; M789-E791 WeakPolarHBondContact CE-OE2 3.3Å; M789-E791 PolarHBondContact O-N 2.9Å; M789-E792 HydrophobicContact CB-CB 4.28Å; M789-E792 PolarHBondContact O-N 3.39Å; M789-K793 PolarHBondContact O-N 3.5Å
790	Q	91.2	Very high	94.5	Very high	11 Å²	11	38.6 Å²	38.6	5%	0.051	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-30.9	172	-165.6	63	24.7	0	0	111.5	E345 T346 E792 K793 N794 R822 D825	E345-Q790 HydrophobicContact CB-CB 4.41Å; T346-Q790 HydrophobicContact CG2-CB 4.38Å; T346-Q790 HydrophobicContact CG2-CG 4.34Å; Q790-E792 VanDerWaalsContact C-N 3.31Å; Q790-E792 PolarHBondContact O-N 2.99Å; Q790-K793 PolarHBondContact O-N 2.96Å; Q790-N794 WeakPolarHBondContact CG-OD1 3.47Å; Q790-N794 PolarHBondContact NE2-OD1 2.84Å; Q790-N794 WeakPolarHBondContact O-CB 3.26Å; Q790-N794 VanDerWaalsContact O-CG 3.3Å; Q790-N794 PolarHBondContact O-N 2.76Å; Q790-N794 PolarHBondContact O-OD1 2.91Å; Q790-R822 VanDerWaalsContact CD-CZ 3.42Å; Q790-R822 VanDerWaalsContact OE1-NE 3.15Å; Q790-D825 PolarHBondContact NE2-OD2 3.17Å
791	E	93.3	Very high	94.4	Very high	22 Å²	22	38.7 Å²	38.7	10%	0.103	18%	0.18	C	C	.	.	H	α-helix	trans	-55.7	-42.4	171.2	-172.5	-165.9	164.2	0	0	112.6	T346 S355 C356 S359 M789 R795	T346-E791 HydrophobicContact CG2-CB 4.5Å; S355-E791 WeakPolarHBondContact CA-OE1 3.46Å; S355-E791 VanDerWaalsContact CA-OE2 3.25Å; S355-E791 WeakPolarHBondContact CA-OE2 3.38Å; S355-E791 WeakPolarHBondContact CB-OE2 3.39Å; S355-E791 PolarHBondContact OG-OE2 3.08Å; C356-E791 PolarHBondContact N-OE1 3.35Å; S359-E791 WeakPolarHBondContact CB-OE1 3.19Å; S359-E791 PolarHBondContact OG-OE1 2.87Å; M789-E791 HydrophobicContact CE-CB 4.17Å; M789-E791 VanDerWaalsContact CE-OE2 3.24Å; M789-E791 WeakPolarHBondContact CE-OE2 3.3Å; M789-E791 PolarHBondContact O-N 2.9Å; E791-R795 WeakPolarHBondContact O-CB 3.43Å; E791-R795 PolarHBondContact O-N 2.86Å; E791-R795 IonicContact OE1-CZ 2.72Å; E791-R795 IonicContact OE1-NH2 2.69Å; E791-R795 PolarHBondContact OE1-NH2 2.93Å
792	E	95.1	Very high	94.3	Very high	15 Å²	15	37.8 Å²	37.8	7%	0.07	18%	0.176	C	C	.	.	H	α-helix	trans	-73.4	-35	179.8	-173.8	70.2	-152.9	0	0	111.3	R761 Y765 A787 M789 Q790 R795 I796	R761-E792 WeakPolarHBondContact CD-OE2 3.09Å; R761-E792 IonicContact CZ-OE2 3.8Å; R761-E792 IonicContact NE-OE2 2.68Å; R761-E792 IonicContact NH1-OE2 3.86Å; R761-E792 PolarHBondContact NH1-OE2 2.88Å; Y765-E792 WeakPolarHBondContact CE2-OE1 3.24Å; Y765-E792 PolarHBondContact OH-OE1 3.26Å; A787-E792 HydrophobicContact CB-CB 4.05Å; A787-E792 HydrophobicContact CB-CG 3.97Å; M789-E792 HydrophobicContact CB-CB 4.28Å; M789-E792 PolarHBondContact O-N 3.39Å; Q790-E792 VanDerWaalsContact C-N 3.31Å; Q790-E792 PolarHBondContact O-N 2.99Å; E792-R795 WeakPolarHBondContact O-CB 3.41Å; E792-R795 PolarHBondContact O-N 2.83Å; E792-R795 IonicContact OE2-CZ 3.45Å; E792-R795 IonicContact OE2-NH1 3.7Å; E792-R795 PolarHBondContact OE2-NH1 2.87Å; E792-I796 HydrophobicContact CG-CD1 4.27Å; E792-I796 VanDerWaalsContact O-CG1 3.3Å; E792-I796 WeakPolarHBondContact O-CG1 3.49Å; E792-I796 PolarHBondContact O-N 2.9Å
793	K	95.4	Very high	94.2	Very high	52 Å²	52	32.4 Å²	32.4	23%	0.226	15%	0.152	C	C	.	.	H	α-helix	trans	-61.1	-53.7	171.4	-71	-170.3	175.8	-175.4	0	111.3	H784 A787 M789 Q790 R795 I796 E797	H784-K793 WeakPolarHBondContact O-CE 3.38Å; A787-K793 HydrophobicContact CB-CG 3.88Å; A787-K793 WeakPolarHBondContact O-CE 3.44Å; M789-K793 PolarHBondContact O-N 3.5Å; Q790-K793 PolarHBondContact O-N 2.96Å; K793-R795 VanDerWaalsContact C-N 3.27Å; K793-R795 PolarHBondContact O-N 2.7Å; K793-I796 PolarHBondContact O-N 3.4Å; K793-E797 WeakPolarHBondContact O-CB 3.39Å; K793-E797 WeakPolarHBondContact O-CG 3.33Å; K793-E797 PolarHBondContact O-N 2.88Å
794	N	94.4	Very high	93.9	Very high	3 Å²	3	33 Å²	33	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-64.9	-32.2	-179.3	-63.6	33.6	0	0	0	111.5	Q790 R798 D825	Q790-N794 WeakPolarHBondContact CG-OD1 3.47Å; Q790-N794 PolarHBondContact NE2-OD1 2.84Å; Q790-N794 WeakPolarHBondContact O-CB 3.26Å; Q790-N794 VanDerWaalsContact O-CG 3.3Å; Q790-N794 PolarHBondContact O-N 2.76Å; Q790-N794 PolarHBondContact O-OD1 2.91Å; N794-R798 WeakPolarHBondContact O-CB 3.19Å; N794-R798 VanDerWaalsContact O-CD 3.31Å; N794-R798 WeakPolarHBondContact O-CD 3.37Å; N794-R798 WeakPolarHBondContact O-CG 3.48Å; N794-R798 PolarHBondContact O-N 3.28Å; N794-D825 PolarHBondContact ND2-OD1 2.87Å; N794-D825 PolarHBondContact ND2-OD2 3.14Å; N794-D825 PolarHBondContact OD1-OD2 2.96Å
795	R	95.2	Very high	93.9	Very high	14 Å²	14	35.1 Å²	35.1	5%	0.053	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-44.9	170.7	173.2	-176.9	-72.8	140.1	3.9	111.7	N354 C356 Y765 E791 E792 K793	N354-R795 PolarHBondContact O-NH1 3.37Å; C356-R795 PolarHBondContact SG-NH2 3.06Å; Y765-R795 HydrophobicContact CD2-CG 4.43Å; Y765-R795 HydrophobicContact CE2-CG 4.38Å; E791-R795 WeakPolarHBondContact O-CB 3.43Å; E791-R795 PolarHBondContact O-N 2.86Å; E791-R795 IonicContact OE1-CZ 2.72Å; E791-R795 IonicContact OE1-NH2 2.69Å; E791-R795 PolarHBondContact OE1-NH2 2.93Å; E792-R795 WeakPolarHBondContact O-CB 3.41Å; E792-R795 PolarHBondContact O-N 2.83Å; E792-R795 IonicContact OE2-CZ 3.45Å; E792-R795 IonicContact OE2-NH1 3.7Å; E792-R795 PolarHBondContact OE2-NH1 2.87Å; K793-R795 VanDerWaalsContact C-N 3.27Å; K793-R795 PolarHBondContact O-N 2.7Å
796	I	97.4	Very high	93.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-70.2	-51.1	177.7	-68.2	167	0	0	0	110.8	Y765 M780 L783 H784 E792 K793 R798 V799 L800	Y765-I796 HydrophobicContact CD2-CG1 4.03Å; Y765-I796 HydrophobicContact CE2-CD1 4.38Å; Y765-I796 HydrophobicContact CE2-CG1 3.71Å; M780-I796 HydrophobicContact CE-CB 4.22Å; M780-I796 HydrophobicContact CE-CD1 4.4Å; M780-I796 HydrophobicContact CE-CG1 3.78Å; M780-I796 HydrophobicContact CE-CG2 3.7Å; L783-I796 HydrophobicContact CB-CD1 3.83Å; H784-I796 HydrophobicContact CB-CB 4.47Å; H784-I796 HydrophobicContact CB-CD1 4.22Å; H784-I796 HydrophobicContact CB-CG2 4Å; E792-I796 HydrophobicContact CG-CD1 4.27Å; E792-I796 VanDerWaalsContact O-CG1 3.3Å; E792-I796 WeakPolarHBondContact O-CG1 3.49Å; E792-I796 PolarHBondContact O-N 2.9Å; K793-I796 PolarHBondContact O-N 3.4Å; I796-R798 VanDerWaalsContact C-N 3.29Å; I796-R798 PolarHBondContact O-N 2.87Å; I796-V799 WeakPolarHBondContact O-CG2 3.36Å; I796-V799 PolarHBondContact O-N 3.4Å; I796-L800 HydrophobicContact CG2-CD2 3.89Å; I796-L800 HydrophobicContact CG2-CG 4.12Å; I796-L800 WeakPolarHBondContact O-CG 3.5Å; I796-L800 PolarHBondContact O-N 3.22Å
797	E	97.1	Very high	94.2	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-49.6	-46.2	180	-80.1	165.1	-173.8	0	0	113.1	H784 K793 V799 L800 F815 V829	H784-E797 IonicContact CD2-OE1 2.73Å; H784-E797 IonicContact CE1-OE1 3.22Å; H784-E797 IonicContact NE2-OE1 2.76Å; H784-E797 PolarHBondContact NE2-OE1 3.47Å; K793-E797 WeakPolarHBondContact O-CB 3.39Å; K793-E797 WeakPolarHBondContact O-CG 3.33Å; K793-E797 PolarHBondContact O-N 2.88Å; E797-V799 VanDerWaalsContact C-N 3.27Å; E797-V799 PolarHBondContact O-N 3.26Å; E797-L800 PolarHBondContact O-N 2.8Å; E797-F815 HydrophobicContact CG-CE1 4.44Å; E797-V829 HydrophobicContact CB-CG2 3.71Å; E797-V829 HydrophobicContact CG-CG2 3.89Å
798	R	93.8	Very high	94.5	Very high	123 Å²	123	34.7 Å²	34.7	46%	0.464	19%	0.185	S	C	.	.	H	α-helix	trans	-64.6	-26.3	179.3	-74.4	168.2	-176.1	161.1	3.8	113.8	N794 I796 S828	N794-R798 WeakPolarHBondContact O-CB 3.19Å; N794-R798 VanDerWaalsContact O-CD 3.31Å; N794-R798 WeakPolarHBondContact O-CD 3.37Å; N794-R798 WeakPolarHBondContact O-CG 3.48Å; N794-R798 PolarHBondContact O-N 3.28Å; I796-R798 VanDerWaalsContact C-N 3.29Å; I796-R798 PolarHBondContact O-N 2.87Å; R798-S828 PolarHBondContact NE-OG 3.43Å
799	V	96.4	Very high	95	Very high	17 Å²	17	29.6 Å²	29.6	10%	0.103	16%	0.158	C	C	.	.	H	α-helix	trans	-99.8	-16.2	179.5	-60	0	0	0	0	114	Y765 L766 L769 I796 E797 G801 A802	Y765-V799 HydrophobicContact CD2-CG2 4.42Å; L766-V799 HydrophobicContact CB-CG1 4.16Å; L769-V799 HydrophobicContact CD1-CB 4.33Å; L769-V799 HydrophobicContact CD1-CG2 3.92Å; L769-V799 WeakPolarHBondContact CD1-O 3.45Å; I796-V799 WeakPolarHBondContact O-CG2 3.36Å; I796-V799 PolarHBondContact O-N 3.4Å; E797-V799 VanDerWaalsContact C-N 3.27Å; E797-V799 PolarHBondContact O-N 3.26Å; V799-G801 PolarHBondContact O-N 2.99Å; V799-G801 VanDerWaalsContact O-N 3.11Å; V799-A802 WeakPolarHBondContact O-CB 3.25Å; V799-A802 PolarHBondContact O-N 3.02Å
800	L	97.1	Very high	95.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-49.5	-40.1	177.5	-72.5	-178.1	0	0	0	112.5	L769 L777 M780 L781 I796 E797 A802 I803 V812 F815	L769-L800 HydrophobicContact CD1-CD2 4.49Å; L777-L800 HydrophobicContact CD1-CD2 3.86Å; M780-L800 HydrophobicContact CB-CD2 3.86Å; L781-L800 HydrophobicContact CD2-CD1 3.89Å; L781-L800 HydrophobicContact CD2-CD2 4.31Å; I796-L800 HydrophobicContact CG2-CD2 3.89Å; I796-L800 HydrophobicContact CG2-CG 4.12Å; I796-L800 WeakPolarHBondContact O-CG 3.5Å; I796-L800 PolarHBondContact O-N 3.22Å; E797-L800 PolarHBondContact O-N 2.8Å; L800-A802 PolarHBondContact O-N 3Å; L800-A802 VanDerWaalsContact O-N 3.1Å; L800-I803 WeakPolarHBondContact O-CG2 3.22Å; L800-I803 PolarHBondContact O-N 2.84Å; L800-V812 HydrophobicContact CB-CG1 3.77Å; L800-V812 HydrophobicContact CB-CG2 4.11Å; L800-F815 HydrophobicContact CD1-CD1 3.61Å; L800-F815 HydrophobicContact CD1-CE1 3.43Å; L800-F815 VanDerWaalsContact CD1-CE1 3.43Å; L800-F815 HydrophobicContact CD1-CZ 4.44Å
801	G	94.8	Very high	95.7	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.021	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-7.3	179.7	0	0	0	0	0	116.1	V799 I803 S836	V799-G801 PolarHBondContact O-N 2.99Å; V799-G801 VanDerWaalsContact O-N 3.11Å; G801-I803 PolarHBondContact O-N 3.3Å; G801-S836 WeakPolarHBondContact O-CB 3.23Å; G801-S836 PolarHBondContact O-OG 2.83Å
802	A	95.9	Very high	96	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.9	174.3	0	0	0	0	0	113.4	L766 L769 K770 V799 L800 S804 S836	L766-A802 HydrophobicContact CD1-CB 3.73Å; L769-A802 HydrophobicContact CB-CB 4.06Å; K770-A802 HydrophobicContact CB-CB 4.34Å; V799-A802 WeakPolarHBondContact O-CB 3.25Å; V799-A802 PolarHBondContact O-N 3.02Å; L800-A802 PolarHBondContact O-N 3Å; L800-A802 VanDerWaalsContact O-N 3.1Å; A802-S804 PolarHBondContact O-N 3.43Å; A802-S804 PolarHBondContact O-OG 3.47Å; A802-S804 VanDerWaalsContact O-OG 3.05Å; A802-S836 WeakPolarHBondContact CA-OG 3.42Å; A802-S836 PolarHBondContact N-OG 3.44Å
803	I	95.9	Very high	96.1	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	18%	0.175	C	C	.	.			trans	-58.1	128.7	176.8	-162.6	61.7	0	0	0	110.1	L769 L800 G801 L808 I809 V812	L769-I803 HydrophobicContact CD2-CB 4.47Å; L769-I803 WeakPolarHBondContact O-CD1 3.48Å; L800-I803 WeakPolarHBondContact O-CG2 3.22Å; L800-I803 PolarHBondContact O-N 2.84Å; G801-I803 PolarHBondContact O-N 3.3Å; I803-L808 HydrophobicContact CD1-CD1 3.91Å; I803-L808 HydrophobicContact CG1-CB 3.67Å; I803-L808 HydrophobicContact CG1-CD1 3.61Å; I803-L808 HydrophobicContact CG1-CG 4.29Å; I803-L808 HydrophobicContact CG2-CB 4.04Å; I803-I809 HydrophobicContact CG2-CG1 4.48Å; I803-I809 WeakPolarHBondContact O-CG1 2.91Å; I803-V812 HydrophobicContact CG2-CG2 3.91Å
804	S	90.6	Very high	96.2	Very high	42 Å²	42	35.4 Å²	35.4	29%	0.294	19%	0.188	S	C	.	.			trans	-106.2	-1	-163.7	-64.4	0	0	0	0	115.3	K770 A802	K770-S804 PolarHBondContact NZ-OG 3.41Å; A802-S804 PolarHBondContact O-N 3.43Å; A802-S804 PolarHBondContact O-OG 3.47Å; A802-S804 VanDerWaalsContact O-OG 3.05Å
805	A	94.9	Very high	96.4	Very high	43 Å²	43	36.2 Å²	36.2	36%	0.355	19%	0.191	S	C	.	.	S	Bend	trans	-87.2	133.7	176.5	0	0	0	0	0	111.3	D807 L808 I809	A805-D807 PolarHBondContact O-N 3.16Å; A805-L808 HydrophobicContact CB-CB 4.32Å; A805-L808 HydrophobicContact CB-CD1 4Å; A805-L808 HydrophobicContact CB-CG 4.05Å; A805-L808 PolarHBondContact O-N 2.75Å; A805-I809 WeakPolarHBondContact O-CG1 3.47Å; A805-I809 PolarHBondContact O-N 2.76Å
806	P	95.2	Very high	96.5	Very high	80 Å²	80	35.6 Å²	35.6	52%	0.519	19%	0.189	S	C	.	.	H	α-helix	trans	-53.1	-46	-173.5	-31	36.5	0	0	0	115.7	L808 I809 Q810	P806-L808 VanDerWaalsContact C-N 3.27Å; P806-L808 PolarHBondContact O-N 2.85Å; P806-I809 WeakPolarHBondContact O-CB 3.22Å; P806-I809 PolarHBondContact O-N 2.91Å; P806-Q810 PolarHBondContact O-N 2.87Å
807	D	96.6	Very high	96.4	Very high	140 Å²	140	37.6 Å²	37.6	75%	0.749	20%	0.199	S	C	*	.	H	α-helix	trans	-67	-31.3	-179.3	-53.1	-51.4	0	0	0	112.2	A805 K811	A805-D807 PolarHBondContact O-N 3.16Å; D807-K811 PolarHBondContact O-N 3.22Å
808	L	97.9	Very high	96.3	Very high	29 Å²	29	39.3 Å²	39.3	15%	0.152	21%	0.212	C	C	.	.	H	α-helix	trans	-77	-34.6	176.5	-56.3	-175.8	0	0	0	111.5	L777 I803 A805 P806 Q810 K811 V812	L777-L808 HydrophobicContact CD2-CB 4.02Å; L777-L808 HydrophobicContact CD2-CD2 4.2Å; I803-L808 HydrophobicContact CD1-CD1 3.91Å; I803-L808 HydrophobicContact CG1-CB 3.67Å; I803-L808 HydrophobicContact CG1-CD1 3.61Å; I803-L808 HydrophobicContact CG1-CG 4.29Å; I803-L808 HydrophobicContact CG2-CB 4.04Å; A805-L808 HydrophobicContact CB-CB 4.32Å; A805-L808 HydrophobicContact CB-CD1 4Å; A805-L808 HydrophobicContact CB-CG 4.05Å; A805-L808 PolarHBondContact O-N 2.75Å; P806-L808 VanDerWaalsContact C-N 3.27Å; P806-L808 PolarHBondContact O-N 2.85Å; L808-Q810 VanDerWaalsContact C-N 3.34Å; L808-K811 WeakPolarHBondContact O-CB 3.26Å; L808-K811 PolarHBondContact O-N 2.76Å; L808-V812 WeakPolarHBondContact O-CG2 3.44Å; L808-V812 PolarHBondContact O-N 2.87Å
809	I	97.9	Very high	96.2	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.015	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-45.9	169.8	-69.9	167.4	0	0	0	109.9	I803 A805 P806 K811 V812 L813 V833 A843	I803-I809 HydrophobicContact CG2-CG1 4.48Å; I803-I809 WeakPolarHBondContact O-CG1 2.91Å; A805-I809 WeakPolarHBondContact O-CG1 3.47Å; A805-I809 PolarHBondContact O-N 2.76Å; P806-I809 WeakPolarHBondContact O-CB 3.22Å; P806-I809 PolarHBondContact O-N 2.91Å; I809-K811 VanDerWaalsContact C-N 3.33Å; I809-K811 PolarHBondContact O-N 2.76Å; I809-V812 PolarHBondContact O-N 3.31Å; I809-L813 HydrophobicContact CG2-CD1 4.04Å; I809-L813 WeakPolarHBondContact O-CG 3.4Å; I809-L813 PolarHBondContact O-N 3.4Å; I809-V833 HydrophobicContact CG2-CG1 3.69Å; I809-A843 HydrophobicContact CG2-CB 3.66Å
810	Q	97.7	Very high	95.9	Very high	74 Å²	74	44.4 Å²	44.4	35%	0.346	24%	0.24	S	C	.	.	H	α-helix	trans	-64.6	-37.2	176.5	-167.6	62.1	59.5	0	0	112.1	P806 L808 V812 L813 N814	P806-Q810 PolarHBondContact O-N 2.87Å; L808-Q810 VanDerWaalsContact C-N 3.34Å; Q810-V812 VanDerWaalsContact C-N 3.34Å; Q810-V812 PolarHBondContact O-N 2.92Å; Q810-L813 PolarHBondContact O-N 2.83Å; Q810-N814 PolarHBondContact NE2-OD1 2.64Å; Q810-N814 WeakPolarHBondContact O-CB 3.45Å; Q810-N814 PolarHBondContact O-N 2.85Å; Q810-N814 PolarHBondContact O-OD1 3.02Å
811	K	97.9	Very high	95.8	Very high	77 Å²	77	44.7 Å²	44.7	34%	0.335	24%	0.241	S	C	.	.	H	α-helix	trans	-61.5	-38.8	173.4	-176.6	173.3	171.8	-179.1	0	112.4	L777 D778 D807 L808 I809 F815	L777-K811 HydrophobicContact CD2-CB 4.39Å; L777-K811 HydrophobicContact CD2-CD 3.94Å; L777-K811 HydrophobicContact CD2-CG 4.24Å; D778-K811 VanDerWaalsContact CG-NZ 3.33Å; D778-K811 IonicContact OD1-NZ 3.12Å; D778-K811 PolarHBondContact OD1-NZ 2.97Å; D778-K811 IonicContact OD2-NZ 2.75Å; D778-K811 PolarHBondContact OD2-NZ 2.93Å; D807-K811 PolarHBondContact O-N 3.22Å; L808-K811 WeakPolarHBondContact O-CB 3.26Å; L808-K811 PolarHBondContact O-N 2.76Å; I809-K811 VanDerWaalsContact C-N 3.33Å; I809-K811 PolarHBondContact O-N 2.76Å; K811-F815 WeakPolarHBondContact O-CB 3.22Å; K811-F815 PolarHBondContact O-N 2.93Å; K811-F815 VanDerWaalsContact O-N 3.07Å
812	V	98.3	Very high	95.7	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-70.5	-40.6	175.1	172.8	0	0	0	0	112.1	L777 L800 I803 L808 I809 Q810 F815 A816 V829 V833	L777-V812 HydrophobicContact CD1-CG2 3.75Å; L777-V812 HydrophobicContact CD2-CG2 4Å; L800-V812 HydrophobicContact CB-CG1 3.77Å; L800-V812 HydrophobicContact CB-CG2 4.11Å; I803-V812 HydrophobicContact CG2-CG2 3.91Å; L808-V812 WeakPolarHBondContact O-CG2 3.44Å; L808-V812 PolarHBondContact O-N 2.87Å; I809-V812 PolarHBondContact O-N 3.31Å; Q810-V812 VanDerWaalsContact C-N 3.34Å; Q810-V812 PolarHBondContact O-N 2.92Å; V812-F815 WeakPolarHBondContact O-CB 3.33Å; V812-F815 PolarHBondContact O-N 3.17Å; V812-A816 PolarHBondContact O-N 3.03Å; V812-A816 VanDerWaalsContact O-N 3.12Å; V812-V829 HydrophobicContact CG1-CG1 3.66Å; V812-V833 HydrophobicContact CB-CG2 4.33Å; V812-V833 HydrophobicContact CG1-CG2 3.66Å
813	L	98.1	Very high	95.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-44.1	175.3	-71	167.6	0	0	0	111.6	I809 Q810 F815 A816 I830 V833 A843 A844 F847	I809-L813 HydrophobicContact CG2-CD1 4.04Å; I809-L813 WeakPolarHBondContact O-CG 3.4Å; I809-L813 PolarHBondContact O-N 3.4Å; Q810-L813 PolarHBondContact O-N 2.83Å; L813-F815 VanDerWaalsContact C-N 3.29Å; L813-F815 PolarHBondContact O-N 2.86Å; L813-A816 VanDerWaalsContact O-CB 3.28Å; L813-A816 WeakPolarHBondContact O-CB 3.43Å; L813-A816 PolarHBondContact O-N 3.23Å; L813-A816 VanDerWaalsContact O-N 3.15Å; L813-I830 HydrophobicContact CD2-CG1 4.36Å; L813-V833 HydrophobicContact CD1-CG1 4.32Å; L813-V833 HydrophobicContact CD2-CB 4.13Å; L813-V833 HydrophobicContact CD2-CG1 4.06Å; L813-V833 HydrophobicContact CD2-CG2 4.07Å; L813-V833 HydrophobicContact CG-CG1 4.22Å; L813-V833 HydrophobicContact CG-CG2 4.26Å; L813-A843 HydrophobicContact CD1-CB 3.81Å; L813-A844 HydrophobicContact CD2-CB 4.33Å; L813-F847 HydrophobicContact CB-CD1 4.33Å; L813-F847 HydrophobicContact CB-CD2 3.86Å; L813-F847 HydrophobicContact CB-CE1 4.45Å; L813-F847 HydrophobicContact CB-CE2 3.98Å; L813-F847 HydrophobicContact CB-CG 4.02Å; L813-F847 HydrophobicContact CB-CZ 4.27Å; L813-F847 HydrophobicContact CD1-CB 4.07Å; L813-F847 HydrophobicContact CD1-CG 4.38Å; L813-F847 HydrophobicContact CD2-CB 4.35Å; L813-F847 HydrophobicContact CD2-CD1 4.12Å; L813-F847 HydrophobicContact CD2-CG 4.23Å; L813-F847 HydrophobicContact CG-CG 4.44Å; L813-F847 WeakPolarHBondContact O-CZ 3.27Å
814	N	97.6	Very high	95.3	Very high	92 Å²	92	49.5 Å²	49.5	49%	0.492	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-35	175.3	-67.1	6.2	0	0	0	112.3	Q810 A816 L817	Q810-N814 PolarHBondContact NE2-OD1 2.64Å; Q810-N814 WeakPolarHBondContact O-CB 3.45Å; Q810-N814 PolarHBondContact O-N 2.85Å; Q810-N814 PolarHBondContact O-OD1 3.02Å; N814-A816 VanDerWaalsContact C-N 3.31Å; N814-A816 PolarHBondContact O-N 2.86Å; N814-L817 PolarHBondContact O-N 2.86Å
815	F	97.8	Very high	95.4	Very high	20 Å²	20	47.6 Å²	47.6	9%	0.088	25%	0.251	C	S	.	.	H	α-helix	trans	-64.8	-33.4	174.7	172.9	-104.1	0	0	0	112.5	L781 H784 E797 L800 K811 V812 L813 L817 S818 E820 V821	L781-F815 HydrophobicContact CD2-CD1 3.97Å; L781-F815 HydrophobicContact CD2-CD2 3.87Å; L781-F815 HydrophobicContact CD2-CE1 3.93Å; L781-F815 HydrophobicContact CD2-CE2 3.81Å; L781-F815 HydrophobicContact CD2-CG 3.94Å; L781-F815 HydrophobicContact CD2-CZ 3.83Å; H784-F815 AromaticContact CE1-CZ 3.69Å; H784-F815 AromaticContact ND1-CZ 3.78Å; H784-F815 AromaticContact NE2-CZ 4Å; E797-F815 HydrophobicContact CG-CE1 4.44Å; L800-F815 HydrophobicContact CD1-CD1 3.61Å; L800-F815 HydrophobicContact CD1-CE1 3.43Å; L800-F815 VanDerWaalsContact CD1-CE1 3.43Å; L800-F815 HydrophobicContact CD1-CZ 4.44Å; K811-F815 WeakPolarHBondContact O-CB 3.22Å; K811-F815 PolarHBondContact O-N 2.93Å; K811-F815 VanDerWaalsContact O-N 3.07Å; V812-F815 WeakPolarHBondContact O-CB 3.33Å; V812-F815 PolarHBondContact O-N 3.17Å; L813-F815 VanDerWaalsContact C-N 3.29Å; L813-F815 PolarHBondContact O-N 2.86Å; F815-L817 PolarHBondContact O-N 3.19Å; F815-L817 VanDerWaalsContact O-N 3.15Å; F815-S818 WeakPolarHBondContact O-CB 3.22Å; F815-S818 PolarHBondContact O-N 3.47Å; F815-S818 PolarHBondContact O-OG 3.15Å; F815-E820 HydrophobicContact CD2-CB 4.48Å; F815-E820 HydrophobicContact CE2-CB 3.66Å; F815-E820 HydrophobicContact CE2-CG 4.14Å; F815-E820 HydrophobicContact CZ-CB 4.25Å; F815-V821 HydrophobicContact CD1-CG2 3.79Å; F815-V821 HydrophobicContact CD2-CG2 4.46Å; F815-V821 HydrophobicContact CE1-CG2 3.37Å; F815-V821 HydrophobicContact CE2-CG2 4.11Å; F815-V821 HydrophobicContact CG-CG2 4.33Å; F815-V821 HydrophobicContact CZ-CG2 3.56Å; F815-V821 WeakPolarHBondContact O-CG2 3.38Å
816	A	97.3	Very high	95.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-23.8	179.8	0	0	0	0	0	114.6	V812 L813 N814 T826 V829 I830	V812-A816 PolarHBondContact O-N 3.03Å; V812-A816 VanDerWaalsContact O-N 3.12Å; L813-A816 VanDerWaalsContact O-CB 3.28Å; L813-A816 WeakPolarHBondContact O-CB 3.43Å; L813-A816 PolarHBondContact O-N 3.23Å; L813-A816 VanDerWaalsContact O-N 3.15Å; N814-A816 VanDerWaalsContact C-N 3.31Å; N814-A816 PolarHBondContact O-N 2.86Å; A816-T826 HydrophobicContact CB-CG2 4.37Å; A816-T826 WeakPolarHBondContact O-CB 3.32Å; A816-T826 VanDerWaalsContact O-CG2 3.28Å; A816-T826 WeakPolarHBondContact O-CG2 3.45Å; A816-T826 PolarHBondContact O-OG1 3.2Å; A816-V829 HydrophobicContact CB-CB 3.73Å; A816-V829 HydrophobicContact CB-CG1 3.69Å; A816-V829 HydrophobicContact CB-CG2 4.42Å; A816-I830 HydrophobicContact CB-CG1 4.02Å
817	L	95.8	Very high	95.4	Very high	42 Å²	42	41.9 Å²	41.9	22%	0.22	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	8.9	175.9	-69.6	-179.1	0	0	0	113.6	N814 F815 T826 F847 N851 L855	N814-L817 PolarHBondContact O-N 2.86Å; F815-L817 PolarHBondContact O-N 3.19Å; F815-L817 VanDerWaalsContact O-N 3.15Å; L817-T826 HydrophobicContact CD2-CG2 3.86Å; L817-F847 HydrophobicContact CD1-CE1 3.88Å; L817-F847 HydrophobicContact CD1-CZ 3.55Å; L817-F847 HydrophobicContact CG-CE1 4.12Å; L817-F847 HydrophobicContact CG-CZ 3.91Å; L817-N851 HydrophobicContact CD1-CB 4.11Å; L817-L855 HydrophobicContact CD2-CD2 4Å
818	S	95.2	Very high	95.2	Very high	38 Å²	38	35.9 Å²	35.9	27%	0.266	18%	0.179	S	C	.	.	S	Bend	trans	-86.5	154	178.1	73.2	0	0	0	0	112.4	F815 E820 V821	F815-S818 WeakPolarHBondContact O-CB 3.22Å; F815-S818 PolarHBondContact O-N 3.47Å; F815-S818 PolarHBondContact O-OG 3.15Å; S818-E820 PolarHBondContact O-N 2.92Å; S818-V821 PolarHBondContact O-N 3.3Å
819	E	90.9	Very high	95.2	Very high	162 Å²	162	34.5 Å²	34.5	76%	0.757	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-11.9	176.1	-73.4	-71.3	124.2	0	0	115.2	K180	K180-E819 IonicContact NZ-OE2 2.81Å; K180-E819 PolarHBondContact NZ-OE2 3.24Å
820	E	91.6	Very high	95.2	Very high	85 Å²	85	34.3 Å²	34.3	40%	0.397	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-25.7	175.6	-52.5	-75.9	168.2	0	0	112.5	H784 K785 F815 S818	H784-E820 PolarHBondContact CE1-O 3.23Å; K785-E820 IonicContact NZ-OE1 2.78Å; K785-E820 PolarHBondContact NZ-OE1 3.13Å; K785-E820 IonicContact NZ-OE2 2.76Å; K785-E820 PolarHBondContact NZ-OE2 2.7Å; F815-E820 HydrophobicContact CD2-CB 4.48Å; F815-E820 HydrophobicContact CE2-CB 3.66Å; F815-E820 HydrophobicContact CE2-CG 4.14Å; F815-E820 HydrophobicContact CZ-CB 4.25Å; S818-E820 PolarHBondContact O-N 2.92Å
821	V	94.2	Very high	95.1	Very high	6 Å²	6	31.3 Å²	31.3	4%	0.036	16%	0.16	C	C	.	.	S	Bend	trans	-105.9	127.6	-177.4	179.3	0	0	0	0	108.6	F815 S818 D825 V829	F815-V821 HydrophobicContact CD1-CG2 3.79Å; F815-V821 HydrophobicContact CD2-CG2 4.46Å; F815-V821 HydrophobicContact CE1-CG2 3.37Å; F815-V821 HydrophobicContact CE2-CG2 4.11Å; F815-V821 HydrophobicContact CG-CG2 4.33Å; F815-V821 HydrophobicContact CZ-CG2 3.56Å; F815-V821 WeakPolarHBondContact O-CG2 3.38Å; S818-V821 PolarHBondContact O-N 3.3Å; V821-D825 HydrophobicContact CG1-CB 4.42Å; V821-V829 HydrophobicContact CG1-CG2 4.26Å
822	R	92.6	Very high	95	Very high	53 Å²	53	28.2 Å²	28.2	20%	0.2	15%	0.15	C	C	.	.			trans	-69	144.2	178	-55.4	-169.7	-171.4	174.5	4	110.3	A328 E345 Q790 Q824 D825 T826	A328-R822 VanDerWaalsContact C-NH1 3.31Å; A328-R822 VanDerWaalsContact CA-NH1 3.27Å; A328-R822 PolarHBondContact O-NH1 3.27Å; E345-R822 IonicContact OE1-CZ 3.28Å; E345-R822 IonicContact OE1-NH1 3.26Å; E345-R822 PolarHBondContact OE1-NH1 2.98Å; E345-R822 IonicContact OE1-NH2 2.65Å; E345-R822 PolarHBondContact OE1-NH2 3.13Å; E345-R822 IonicContact OE2-NH2 3.72Å; Q790-R822 VanDerWaalsContact CD-CZ 3.42Å; Q790-R822 VanDerWaalsContact OE1-NE 3.15Å; R822-Q824 VanDerWaalsContact C-N 3.26Å; R822-Q824 HydrophobicContact CB-CG 4.47Å; R822-Q824 VanDerWaalsContact CB-NE2 3.35Å; R822-Q824 PolarHBondContact O-N 3.11Å; R822-Q824 VanDerWaalsContact O-N 3.14Å; R822-D825 PolarHBondContact O-N 2.95Å; R822-T826 PolarHBondContact O-N 3.37Å
823	P	91.9	Very high	94.9	Very high	49 Å²	49	28.1 Å²	28.1	32%	0.318	15%	0.15	S	C	.	.	H	α-helix	trans	-49.1	-44	-177.4	-30.5	36.6	0	0	0	114.3	D825 T826 R858 Y859	P823-D825 PolarHBondContact O-N 3.48Å; P823-D825 VanDerWaalsContact O-N 3.13Å; P823-T826 WeakPolarHBondContact O-CB 3.24Å; P823-T826 PolarHBondContact O-N 3.02Å; P823-R858 HydrophobicContact CB-CG 4.38Å; P823-Y859 PolarHBondContact O-OH 2.92Å
824	Q	91	Very high	94.8	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.019	15%	0.15	C	C	.	.	H	α-helix	trans	-67.8	-5.8	179.3	68.5	-81.7	16.2	0	0	115.4	M173 A328 D329 R344 R822 L864	M173-Q824 HydrophobicContact CE-CB 4.15Å; M173-Q824 HydrophobicContact SD-CB 3.9Å; M173-Q824 HydrophobicContact SD-CG 4.48Å; A328-Q824 PolarHBondContact O-NE2 3.45Å; D329-Q824 PolarHBondContact OD1-NE2 3.26Å; D329-Q824 PolarHBondContact OD1-OE1 3Å; R344-Q824 PolarHBondContact NH1-O 3.27Å; R344-Q824 PolarHBondContact NH2-O 3.01Å; R822-Q824 VanDerWaalsContact C-N 3.26Å; R822-Q824 HydrophobicContact CB-CG 4.47Å; R822-Q824 VanDerWaalsContact CB-NE2 3.35Å; R822-Q824 PolarHBondContact O-N 3.11Å; R822-Q824 VanDerWaalsContact O-N 3.14Å; Q824-L864 HydrophobicContact CB-CD1 4.22Å
825	D	94.1	Very high	94.5	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.011	15%	0.147	C	C	.	.	H	α-helix	trans	-119.3	-15.7	-179.3	-68.9	-41.2	0	0	0	113.7	R344 Q790 N794 V821 R822 P823 V827 S828 V829	R344-D825 IonicContact NH1-OD1 2.96Å; R344-D825 PolarHBondContact NH1-OD1 3.11Å; Q790-D825 PolarHBondContact NE2-OD2 3.17Å; N794-D825 PolarHBondContact ND2-OD1 2.87Å; N794-D825 PolarHBondContact ND2-OD2 3.14Å; N794-D825 PolarHBondContact OD1-OD2 2.96Å; V821-D825 HydrophobicContact CG1-CB 4.42Å; R822-D825 PolarHBondContact O-N 2.95Å; P823-D825 PolarHBondContact O-N 3.48Å; P823-D825 VanDerWaalsContact O-N 3.13Å; D825-V827 PolarHBondContact O-N 3.12Å; D825-V827 VanDerWaalsContact O-N 3.1Å; D825-S828 WeakPolarHBondContact O-CA 3.5Å; D825-S828 VanDerWaalsContact O-CB 3.26Å; D825-S828 WeakPolarHBondContact O-CB 3.45Å; D825-S828 PolarHBondContact O-N 3.32Å; D825-V829 PolarHBondContact O-N 2.73Å
826	T	95.4	Very high	94.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-43	-44.3	166.6	-67.6	0	0	0	0	112.4	A816 L817 R822 P823 S828 V829 I830 L855 Y859	A816-T826 HydrophobicContact CB-CG2 4.37Å; A816-T826 WeakPolarHBondContact O-CB 3.32Å; A816-T826 VanDerWaalsContact O-CG2 3.28Å; A816-T826 WeakPolarHBondContact O-CG2 3.45Å; A816-T826 PolarHBondContact O-OG1 3.2Å; L817-T826 HydrophobicContact CD2-CG2 3.86Å; R822-T826 PolarHBondContact O-N 3.37Å; P823-T826 WeakPolarHBondContact O-CB 3.24Å; P823-T826 PolarHBondContact O-N 3.02Å; T826-S828 VanDerWaalsContact C-N 3.28Å; T826-S828 PolarHBondContact O-N 2.9Å; T826-V829 PolarHBondContact O-N 2.77Å; T826-V829 VanDerWaalsContact O-N 3.16Å; T826-I830 HydrophobicContact CG2-CD1 3.84Å; T826-I830 PolarHBondContact O-N 3.18Å; T826-I830 VanDerWaalsContact O-N 3.12Å; T826-L855 HydrophobicContact CG2-CD2 4.36Å; T826-Y859 WeakPolarHBondContact CB-OH 3.26Å; T826-Y859 WeakPolarHBondContact CG2-OH 3.48Å
827	V	94.3	Very high	93.8	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-61.6	-33.8	179.4	179.8	0	0	0	0	112.2	D825 G831 Y859 L864 R867 L868 L871	D825-V827 PolarHBondContact O-N 3.12Å; D825-V827 VanDerWaalsContact O-N 3.1Å; V827-G831 PolarHBondContact O-N 2.96Å; V827-Y859 HydrophobicContact CG2-CE2 4.01Å; V827-L864 HydrophobicContact CG2-CB 4.45Å; V827-R867 HydrophobicContact CG1-CB 4.37Å; V827-R867 HydrophobicContact CG1-CG 4.01Å; V827-L868 HydrophobicContact CG1-CB 4.07Å; V827-L868 HydrophobicContact CG1-CD1 4.42Å; V827-L868 HydrophobicContact CG2-CB 4.16Å; V827-L868 HydrophobicContact CG2-CD1 4.43Å; V827-L871 HydrophobicContact CG1-CD1 3.92Å
828	S	92.7	Very high	93.7	Very high	14 Å²	14	28.6 Å²	28.6	10%	0.098	16%	0.164	C	C	.	.	H	α-helix	trans	-68.4	-38.8	175.3	-67.7	0	0	0	0	112.2	R798 D825 T826 G832	R798-S828 PolarHBondContact NE-OG 3.43Å; D825-S828 WeakPolarHBondContact O-CA 3.5Å; D825-S828 VanDerWaalsContact O-CB 3.26Å; D825-S828 WeakPolarHBondContact O-CB 3.45Å; D825-S828 PolarHBondContact O-N 3.32Å; T826-S828 VanDerWaalsContact C-N 3.28Å; T826-S828 PolarHBondContact O-N 2.9Å; S828-G832 PolarHBondContact O-N 2.82Å
829	V	97.4	Very high	93.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68	-47.4	178.7	-175.5	0	0	0	0	110.8	E797 V812 A816 V821 D825 T826 G832 V833	E797-V829 HydrophobicContact CB-CG2 3.71Å; E797-V829 HydrophobicContact CG-CG2 3.89Å; V812-V829 HydrophobicContact CG1-CG1 3.66Å; A816-V829 HydrophobicContact CB-CB 3.73Å; A816-V829 HydrophobicContact CB-CG1 3.69Å; A816-V829 HydrophobicContact CB-CG2 4.42Å; V821-V829 HydrophobicContact CG1-CG2 4.26Å; D825-V829 PolarHBondContact O-N 2.73Å; T826-V829 PolarHBondContact O-N 2.77Å; T826-V829 VanDerWaalsContact O-N 3.16Å; V829-G832 PolarHBondContact O-N 3.22Å; V829-V833 PolarHBondContact O-N 3.12Å
830	I	97.8	Very high	93.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.2	-44.3	179	-62.3	171.8	0	0	0	110.5	L813 A816 T826 G832 V833 A834 A844 F847 V848 L855 L868	L813-I830 HydrophobicContact CD2-CG1 4.36Å; A816-I830 HydrophobicContact CB-CG1 4.02Å; T826-I830 HydrophobicContact CG2-CD1 3.84Å; T826-I830 PolarHBondContact O-N 3.18Å; T826-I830 VanDerWaalsContact O-N 3.12Å; I830-G832 VanDerWaalsContact C-N 3.34Å; I830-G832 PolarHBondContact O-N 3.24Å; I830-V833 PolarHBondContact O-N 3.47Å; I830-A834 PolarHBondContact O-N 3.38Å; I830-A844 HydrophobicContact CG2-CB 4.08Å; I830-F847 HydrophobicContact CD1-CD1 4.25Å; I830-F847 HydrophobicContact CD1-CE1 4.06Å; I830-F847 HydrophobicContact CG1-CE1 4.47Å; I830-V848 HydrophobicContact CG2-CG2 3.94Å; I830-L855 HydrophobicContact CD1-CD2 4.36Å; I830-L868 HydrophobicContact CB-CD1 4.17Å; I830-L868 HydrophobicContact CD1-CD1 3.9Å; I830-L868 HydrophobicContact CG2-CD1 3.98Å
831	G	95.6	Very high	94	Very high	10 Å²	10	21.6 Å²	21.6	10%	0.103	13%	0.126	C	C	.	.	H	α-helix	trans	-61.9	-38.5	173.9	0	0	0	0	0	113.4	V827 V833 A834 G835	V827-G831 PolarHBondContact O-N 2.96Å; G831-V833 VanDerWaalsContact C-N 3.33Å; G831-V833 PolarHBondContact O-N 2.84Å; G831-A834 PolarHBondContact O-N 2.76Å; G831-G835 PolarHBondContact O-N 3.05Å
832	G	95.1	Very high	94	Very high	12 Å²	12	26.9 Å²	26.9	12%	0.124	15%	0.149	C	C	.	.	H	α-helix	trans	-61.1	-38.6	174.2	0	0	0	0	0	113.1	S828 V829 I830 S836	S828-G832 PolarHBondContact O-N 2.82Å; V829-G832 PolarHBondContact O-N 3.22Å; I830-G832 VanDerWaalsContact C-N 3.34Å; I830-G832 PolarHBondContact O-N 3.24Å; G832-S836 VanDerWaalsContact O-CB 3.29Å; G832-S836 WeakPolarHBondContact O-CB 3.37Å; G832-S836 PolarHBondContact O-OG 3.21Å
833	V	97.1	Very high	94.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.4	-46.7	172.1	172.9	0	0	0	0	110.8	I809 V812 L813 V829 I830 G831 G835 S836 G840 A844	I809-V833 HydrophobicContact CG2-CG1 3.69Å; V812-V833 HydrophobicContact CB-CG2 4.33Å; V812-V833 HydrophobicContact CG1-CG2 3.66Å; L813-V833 HydrophobicContact CD1-CG1 4.32Å; L813-V833 HydrophobicContact CD2-CB 4.13Å; L813-V833 HydrophobicContact CD2-CG1 4.06Å; L813-V833 HydrophobicContact CD2-CG2 4.07Å; L813-V833 HydrophobicContact CG-CG1 4.22Å; L813-V833 HydrophobicContact CG-CG2 4.26Å; V829-V833 PolarHBondContact O-N 3.12Å; I830-V833 PolarHBondContact O-N 3.47Å; G831-V833 VanDerWaalsContact C-N 3.33Å; G831-V833 PolarHBondContact O-N 2.84Å; V833-G835 PolarHBondContact O-N 3.38Å; V833-S836 PolarHBondContact O-N 3.28Å; V833-G840 CarbonylContact O-C 3.57Å; V833-G840 WeakPolarHBondContact O-CA 3.31Å; V833-A844 HydrophobicContact CG1-CB 4.24Å
834	A	95.8	Very high	94.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.5	-38.5	-176.8	0	0	0	0	0	113.4	I830 G831 S836 R841 A844 L871	I830-A834 PolarHBondContact O-N 3.38Å; G831-A834 PolarHBondContact O-N 2.76Å; A834-S836 VanDerWaalsContact C-N 3.33Å; A834-S836 PolarHBondContact O-N 2.8Å; A834-R841 WeakPolarHBondContact O-CB 3.14Å; A834-R841 PolarHBondContact O-NH1 2.94Å; A834-A844 HydrophobicContact CB-CB 3.91Å; A834-L871 VanDerWaalsContact CB-O 3.29Å; A834-L871 WeakPolarHBondContact CB-O 3.36Å
835	G	91.8	Very high	94.9	Very high	43 Å²	43	23.2 Å²	23.2	44%	0.443	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.7	178.5	0	0	0	0	0	115.9	G831 V833	G831-G835 PolarHBondContact O-N 3.05Å; V833-G835 PolarHBondContact O-N 3.38Å
836	S	89.4	Confident	95.1	Very high	18 Å²	18	28.2 Å²	28.2	13%	0.126	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-25.5	-171.8	-74.7	0	0	0	0	115.4	G801 A802 G832 V833 A834	G801-S836 WeakPolarHBondContact O-CB 3.23Å; G801-S836 PolarHBondContact O-OG 2.83Å; A802-S836 WeakPolarHBondContact CA-OG 3.42Å; A802-S836 PolarHBondContact N-OG 3.44Å; G832-S836 VanDerWaalsContact O-CB 3.29Å; G832-S836 WeakPolarHBondContact O-CB 3.37Å; G832-S836 PolarHBondContact O-OG 3.21Å; V833-S836 PolarHBondContact O-N 3.28Å; A834-S836 VanDerWaalsContact C-N 3.33Å; A834-S836 PolarHBondContact O-N 2.8Å
837	S	90.9	Very high	95.2	Very high	33 Å²	33	28.5 Å²	28.5	23%	0.231	16%	0.157	C	C	.	.			trans	-167.5	162.9	170.7	66.7	0	0	0	0	113.1	Q839 G840 R841	S837-Q839 PolarHBondContact O-N 3.18Å; S837-Q839 PolarHBondContact OG-N 2.72Å; S837-G840 PolarHBondContact O-N 2.84Å; S837-G840 VanDerWaalsContact O-N 3.09Å; S837-G840 PolarHBondContact OG-N 2.68Å; S837-R841 PolarHBondContact O-N 2.82Å
838	K	91.9	Very high	95.4	Very high	69 Å²	69	28.5 Å²	28.5	30%	0.3	16%	0.157	S	C	.	.	H	α-helix	trans	-54.9	-26.1	168	176.9	173	172.7	-167.6	0	114.1	S684 H685 K842	S684-K838 WeakPolarHBondContact O-CD 3.23Å; S684-K838 WeakPolarHBondContact O-CE 3.43Å; S684-K838 PolarHBondContact O-NZ 3.16Å; H685-K838 VanDerWaalsContact C-NZ 3.3Å; H685-K838 VanDerWaalsContact CA-NZ 3.31Å; H685-K838 PolarHBondContact O-NZ 2.9Å; K838-K842 WeakPolarHBondContact O-CG 3.47Å
839	Q	93.6	Very high	95.6	Very high	115 Å²	115	31.5 Å²	31.5	54%	0.537	17%	0.166	S	C	.	.	H	α-helix	trans	-79.9	-46.8	172.4	-63.2	-171.6	11	0	0	111	S837 R841 K842 A843	S837-Q839 PolarHBondContact O-N 3.18Å; S837-Q839 PolarHBondContact OG-N 2.72Å; Q839-R841 PolarHBondContact O-N 2.62Å; Q839-K842 PolarHBondContact O-N 2.86Å; Q839-A843 PolarHBondContact O-N 2.81Å
840	G	95.7	Very high	95.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-56.5	-45.9	175.4	0	0	0	0	0	112.7	V833 S837 K842 A843 A844	V833-G840 CarbonylContact O-C 3.57Å; V833-G840 WeakPolarHBondContact O-CA 3.31Å; S837-G840 PolarHBondContact O-N 2.84Å; S837-G840 VanDerWaalsContact O-N 3.09Å; S837-G840 PolarHBondContact OG-N 2.68Å; G840-K842 VanDerWaalsContact C-N 3.33Å; G840-K842 PolarHBondContact O-N 2.88Å; G840-A843 PolarHBondContact O-N 2.92Å; G840-A843 VanDerWaalsContact O-N 3.14Å; G840-A844 WeakPolarHBondContact O-CB 3.02Å; G840-A844 PolarHBondContact O-N 3.16Å
841	R	95.1	Very high	95.6	Very high	22 Å²	22	38.3 Å²	38.3	8%	0.083	20%	0.202	C	C	.	.	H	α-helix	trans	-57.2	-41.9	175.5	-158.9	-176.9	-62.5	-70.7	6.2	113	S681 A834 S837 Q839 W845 T872 G875 F876	S681-R841 PolarHBondContact OG-NH2 3.07Å; A834-R841 WeakPolarHBondContact O-CB 3.14Å; A834-R841 PolarHBondContact O-NH1 2.94Å; S837-R841 PolarHBondContact O-N 2.82Å; Q839-R841 PolarHBondContact O-N 2.62Å; R841-W845 WeakPolarHBondContact O-CB 3.47Å; R841-W845 PolarHBondContact O-N 2.67Å; R841-T872 WeakPolarHBondContact CG-O 3.39Å; R841-G875 WeakPolarHBondContact CD-O 3.5Å; R841-G875 VanDerWaalsContact CZ-CA 3.49Å; R841-G875 VanDerWaalsContact NE-C 3.3Å; R841-G875 PolarHBondContact NE-O 2.75Å; R841-F876 HydrophobicContact CB-CE1 4.12Å; R841-F876 HydrophobicContact CB-CZ 4.38Å; R841-F876 HydrophobicContact CG-CD1 4.15Å; R841-F876 HydrophobicContact CG-CE1 3.68Å; R841-F876 HydrophobicContact CG-CE2 4.19Å; R841-F876 HydrophobicContact CG-CZ 3.7Å
842	K	95.8	Very high	95.7	Very high	118 Å²	118	38.7 Å²	38.7	51%	0.513	20%	0.2	S	C	.	.	H	α-helix	trans	-68.3	-40.9	175.3	-72.7	-178.2	176.8	-171.5	0	112.5	K838 Q839 G840 K846 F876	K838-K842 WeakPolarHBondContact O-CG 3.47Å; Q839-K842 PolarHBondContact O-N 2.86Å; G840-K842 VanDerWaalsContact C-N 3.33Å; G840-K842 PolarHBondContact O-N 2.88Å; K842-K846 PolarHBondContact O-N 3.45Å; K842-F876 HydrophobicContact CG-CE1 4.12Å
843	A	97.6	Very high	95.7	Very high	25 Å²	25	45.3 Å²	45.3	21%	0.207	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-46.7	178	0	0	0	0	0	111.7	I809 L813 Q839 G840 K846 F847	I809-A843 HydrophobicContact CG2-CB 3.66Å; L813-A843 HydrophobicContact CD1-CB 3.81Å; Q839-A843 PolarHBondContact O-N 2.81Å; G840-A843 PolarHBondContact O-N 2.92Å; G840-A843 VanDerWaalsContact O-N 3.14Å; A843-K846 PolarHBondContact O-N 2.86Å; A843-F847 WeakPolarHBondContact O-CB 3.2Å; A843-F847 PolarHBondContact O-N 3.12Å
844	A	97.9	Very high	95.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.5	-46.8	175.2	0	0	0	0	0	111.9	L813 I830 V833 A834 G840 K846 F847 V848 T872	L813-A844 HydrophobicContact CD2-CB 4.33Å; I830-A844 HydrophobicContact CG2-CB 4.08Å; V833-A844 HydrophobicContact CG1-CB 4.24Å; A834-A844 HydrophobicContact CB-CB 3.91Å; G840-A844 WeakPolarHBondContact O-CB 3.02Å; G840-A844 PolarHBondContact O-N 3.16Å; A844-K846 VanDerWaalsContact C-N 3.34Å; A844-K846 PolarHBondContact O-N 3.08Å; A844-F847 PolarHBondContact O-N 3.36Å; A844-V848 WeakPolarHBondContact O-CG2 3.25Å; A844-V848 PolarHBondContact O-N 3.31Å; A844-T872 HydrophobicContact CB-CG2 4.24Å
845	W	97.8	Very high	95.5	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-66.1	-32.2	176.7	176.5	-128.2	0	0	0	113.7	R841 V848 R849 T872 V873 F876 E884 V885 F888 F889	R841-W845 WeakPolarHBondContact O-CB 3.47Å; R841-W845 PolarHBondContact O-N 2.67Å; W845-V848 HydrophobicContact CZ3-CG1 4.47Å; W845-R849 VanDerWaalsContact CD1-NH2 3.28Å; W845-R849 HydrophobicContact CD2-CG 4.29Å; W845-R849 HydrophobicContact CE3-CG 4.17Å; W845-R849 HydrophobicContact CH2-CG 3.79Å; W845-R849 HydrophobicContact CZ2-CG 3.91Å; W845-R849 HydrophobicContact CZ3-CG 3.92Å; W845-R849 VanDerWaalsContact NE1-CZ 3.28Å; W845-R849 WeakPolarHBondContact O-CG 3.42Å; W845-R849 PolarHBondContact O-N 3.3Å; W845-R849 PolarHBondContact O-NE 3.12Å; W845-T872 HydrophobicContact CB-CG2 3.92Å; W845-T872 HydrophobicContact CE3-CG2 4.08Å; W845-V873 HydrophobicContact CD2-CG1 3.84Å; W845-V873 HydrophobicContact CE3-CG1 3.46Å; W845-V873 VanDerWaalsContact CE3-CG1 3.46Å; W845-V873 HydrophobicContact CG-CG1 4.44Å; W845-V873 HydrophobicContact CH2-CG1 4.44Å; W845-V873 HydrophobicContact CZ3-CG1 3.81Å; W845-F876 HydrophobicContact CB-CE2 4.1Å; W845-F876 HydrophobicContact CB-CZ 3.97Å; W845-F876 HydrophobicContact CG-CE2 4.13Å; W845-F876 HydrophobicContact CG-CZ 4.31Å; W845-E884 PolarHBondContact NE1-OE1 2.81Å; W845-E884 VanDerWaalsContact NE1-OE1 3.16Å; W845-V885 HydrophobicContact CH2-CG2 4.27Å; W845-V885 HydrophobicContact CZ2-CB 4.41Å; W845-V885 HydrophobicContact CZ2-CG2 3.81Å; W845-F888 HydrophobicContact CH2-CB 3.97Å; W845-F888 AromaticContact CH2-CD1 3.66Å; W845-F888 HydrophobicContact CH2-CD1 3.66Å; W845-F888 HydrophobicContact CH2-CE1 4.42Å; W845-F888 AromaticContact CH2-CG 3.86Å; W845-F888 HydrophobicContact CH2-CG 3.86Å; W845-F888 HydrophobicContact CZ2-CB 4.05Å; W845-F888 HydrophobicContact CZ2-CG 4.26Å; W845-F888 HydrophobicContact CZ3-CD1 4.4Å; W845-F889 AromaticContact CH2-CE2 3.99Å; W845-F889 HydrophobicContact CH2-CE2 3.99Å; W845-F889 HydrophobicContact CH2-CZ 4.35Å; W845-F889 HydrophobicContact CZ3-CE2 4.29Å; W845-F889 HydrophobicContact CZ3-CZ 4.35Å
846	K	97.9	Very high	95.5	Very high	106 Å²	106	50 Å²	50	46%	0.461	24%	0.237	S	C	.	.	H	α-helix	trans	-65.7	-50.3	170.1	-162.2	-156.5	179.1	-62.9	0	110.3	K842 A843 A844 V848 R849 D850	K842-K846 PolarHBondContact O-N 3.45Å; A843-K846 PolarHBondContact O-N 2.86Å; A844-K846 VanDerWaalsContact C-N 3.34Å; A844-K846 PolarHBondContact O-N 3.08Å; K846-V848 PolarHBondContact O-N 3.34Å; K846-R849 PolarHBondContact O-N 3.24Å; K846-R849 VanDerWaalsContact O-N 3.15Å; K846-D850 IonicContact NZ-OD1 2.74Å; K846-D850 PolarHBondContact NZ-OD1 3.46Å; K846-D850 IonicContact NZ-OD2 2.82Å; K846-D850 PolarHBondContact NZ-OD2 3.46Å; K846-D850 PolarHBondContact O-N 3.35Å
847	F	98.2	Very high	95.5	Very high	7 Å²	7	52.9 Å²	52.9	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-41	-177.6	-176.9	-95.8	0	0	0	113.4	L813 L817 I830 A843 A844 R849 D850 N851	L813-F847 HydrophobicContact CB-CD1 4.33Å; L813-F847 HydrophobicContact CB-CD2 3.86Å; L813-F847 HydrophobicContact CB-CE1 4.45Å; L813-F847 HydrophobicContact CB-CE2 3.98Å; L813-F847 HydrophobicContact CB-CG 4.02Å; L813-F847 HydrophobicContact CB-CZ 4.27Å; L813-F847 HydrophobicContact CD1-CB 4.07Å; L813-F847 HydrophobicContact CD1-CG 4.38Å; L813-F847 HydrophobicContact CD2-CB 4.35Å; L813-F847 HydrophobicContact CD2-CD1 4.12Å; L813-F847 HydrophobicContact CD2-CG 4.23Å; L813-F847 HydrophobicContact CG-CG 4.44Å; L813-F847 WeakPolarHBondContact O-CZ 3.27Å; L817-F847 HydrophobicContact CD1-CE1 3.88Å; L817-F847 HydrophobicContact CD1-CZ 3.55Å; L817-F847 HydrophobicContact CG-CE1 4.12Å; L817-F847 HydrophobicContact CG-CZ 3.91Å; I830-F847 HydrophobicContact CD1-CD1 4.25Å; I830-F847 HydrophobicContact CD1-CE1 4.06Å; I830-F847 HydrophobicContact CG1-CE1 4.47Å; A843-F847 WeakPolarHBondContact O-CB 3.2Å; A843-F847 PolarHBondContact O-N 3.12Å; A844-F847 PolarHBondContact O-N 3.36Å; F847-R849 VanDerWaalsContact C-N 3.33Å; F847-R849 PolarHBondContact O-N 3.06Å; F847-D850 PolarHBondContact O-N 2.87Å; F847-N851 WeakPolarHBondContact CD2-ND2 3.18Å; F847-N851 PolarHBondContact O-N 3.15Å; F847-N851 PolarHBondContact O-ND2 3.44Å
848	V	97.9	Very high	95.4	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-37.9	176.2	168.2	0	0	0	0	111.8	I830 A844 W845 K846 W852 L855 L868 T872	I830-V848 HydrophobicContact CG2-CG2 3.94Å; A844-V848 WeakPolarHBondContact O-CG2 3.25Å; A844-V848 PolarHBondContact O-N 3.31Å; W845-V848 HydrophobicContact CZ3-CG1 4.47Å; K846-V848 PolarHBondContact O-N 3.34Å; V848-W852 HydrophobicContact CG1-CE3 4.01Å; V848-W852 HydrophobicContact CG1-CZ3 4.27Å; V848-W852 VanDerWaalsContact O-CA 3.26Å; V848-W852 WeakPolarHBondContact O-CA 3.04Å; V848-W852 WeakPolarHBondContact O-CB 3.44Å; V848-W852 PolarHBondContact O-N 2.9Å; V848-W852 VanDerWaalsContact O-N 3.12Å; V848-L855 HydrophobicContact CB-CD1 4.33Å; V848-L855 HydrophobicContact CG1-CD1 4.32Å; V848-L855 HydrophobicContact CG2-CD1 4.25Å; V848-L868 HydrophobicContact CG2-CD1 4.12Å; V848-L868 HydrophobicContact CG2-CG 4.48Å; V848-T872 HydrophobicContact CB-CG2 4.42Å; V848-T872 HydrophobicContact CG2-CG2 4.06Å
849	R	97.8	Very high	95.3	Very high	77 Å²	77	51.7 Å²	51.7	29%	0.291	24%	0.239	S	C	.	.	H	α-helix	trans	-72.1	-43.1	173.6	-68.6	-174.6	-72.9	-173.3	-11.2	112.8	W845 K846 F847 N851 W852 E884 F888	W845-R849 VanDerWaalsContact CD1-NH2 3.28Å; W845-R849 HydrophobicContact CD2-CG 4.29Å; W845-R849 HydrophobicContact CE3-CG 4.17Å; W845-R849 HydrophobicContact CH2-CG 3.79Å; W845-R849 HydrophobicContact CZ2-CG 3.91Å; W845-R849 HydrophobicContact CZ3-CG 3.92Å; W845-R849 VanDerWaalsContact NE1-CZ 3.28Å; W845-R849 WeakPolarHBondContact O-CG 3.42Å; W845-R849 PolarHBondContact O-N 3.3Å; W845-R849 PolarHBondContact O-NE 3.12Å; K846-R849 PolarHBondContact O-N 3.24Å; K846-R849 VanDerWaalsContact O-N 3.15Å; F847-R849 VanDerWaalsContact C-N 3.33Å; F847-R849 PolarHBondContact O-N 3.06Å; R849-N851 PolarHBondContact O-N 2.89Å; R849-W852 PolarHBondContact O-N 2.93Å; R849-E884 IonicContact CZ-OE1 2.78Å; R849-E884 IonicContact NH1-OE1 3.63Å; R849-E884 PolarHBondContact NH1-OE1 3.42Å; R849-E884 IonicContact NH2-OE1 3.87Å; R849-E884 PolarHBondContact NH2-OE1 2.89Å; R849-F888 HydrophobicContact CB-CD2 4.36Å; R849-F888 HydrophobicContact CB-CE2 3.85Å; R849-F888 HydrophobicContact CB-CZ 4.18Å; R849-F888 HydrophobicContact CG-CD1 4.28Å; R849-F888 HydrophobicContact CG-CD2 3.66Å; R849-F888 HydrophobicContact CG-CE1 4.17Å; R849-F888 HydrophobicContact CG-CE2 3.55Å; R849-F888 HydrophobicContact CG-CG 4.03Å; R849-F888 HydrophobicContact CG-CZ 3.83Å
850	D	97.8	Very high	94.7	Very high	91 Å²	91	49.8 Å²	49.8	49%	0.487	23%	0.231	S	C	.	.	H	α-helix	trans	-60.5	-28.5	179.9	-65.4	-24.6	0	0	0	112.4	K846 F847	K846-D850 IonicContact NZ-OD1 2.74Å; K846-D850 PolarHBondContact NZ-OD1 3.46Å; K846-D850 IonicContact NZ-OD2 2.82Å; K846-D850 PolarHBondContact NZ-OD2 3.46Å; K846-D850 PolarHBondContact O-N 3.35Å; F847-D850 PolarHBondContact O-N 2.87Å
851	N	97.4	Very high	93.3	Very high	52 Å²	52	51.1 Å²	51.1	28%	0.278	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	23.5	-176.6	-56.5	-92.4	0	0	0	112.3	L817 F847 R849 E853 E854 L855	L817-N851 HydrophobicContact CD1-CB 4.11Å; F847-N851 WeakPolarHBondContact CD2-ND2 3.18Å; F847-N851 PolarHBondContact O-N 3.15Å; F847-N851 PolarHBondContact O-ND2 3.44Å; R849-N851 PolarHBondContact O-N 2.89Å; N851-E853 VanDerWaalsContact C-N 3.34Å; N851-E853 PolarHBondContact O-N 2.86Å; N851-E854 PolarHBondContact O-N 3.2Å; N851-L855 HydrophobicContact CB-CD1 4.13Å; N851-L855 WeakPolarHBondContact O-CG 3.32Å; N851-L855 PolarHBondContact O-N 3.4Å; N851-L855 VanDerWaalsContact O-N 3.12Å
852	W	96.4	Very high	92.1	Very high	18 Å²	18	50.9 Å²	50.9	7%	0.068	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-39.4	-170	177.5	-104	0	0	0	113.6	V848 R849 E854 L855 Y856 I865 I869 F888 F889 H892 A894	V848-W852 HydrophobicContact CG1-CE3 4.01Å; V848-W852 HydrophobicContact CG1-CZ3 4.27Å; V848-W852 VanDerWaalsContact O-CA 3.26Å; V848-W852 WeakPolarHBondContact O-CA 3.04Å; V848-W852 WeakPolarHBondContact O-CB 3.44Å; V848-W852 PolarHBondContact O-N 2.9Å; V848-W852 VanDerWaalsContact O-N 3.12Å; R849-W852 PolarHBondContact O-N 2.93Å; W852-E854 PolarHBondContact O-N 3.44Å; W852-L855 PolarHBondContact O-N 2.84Å; W852-Y856 HydrophobicContact CH2-CD2 4.42Å; W852-Y856 AromaticContact CZ2-CD2 3.67Å; W852-Y856 HydrophobicContact CZ2-CD2 3.67Å; W852-Y856 HydrophobicContact CZ2-CG 4.26Å; W852-Y856 WeakPolarHBondContact O-CB 3.11Å; W852-Y856 PolarHBondContact O-N 3.33Å; W852-I865 HydrophobicContact CH2-CD1 3.56Å; W852-I865 HydrophobicContact CH2-CG1 3.97Å; W852-I865 HydrophobicContact CZ2-CD1 4.37Å; W852-I865 HydrophobicContact CZ3-CD1 3.9Å; W852-I869 HydrophobicContact CH2-CD1 4.17Å; W852-I869 HydrophobicContact CH2-CG1 4.39Å; W852-I869 HydrophobicContact CZ3-CG1 4.41Å; W852-F888 HydrophobicContact CB-CZ 3.8Å; W852-F888 AromaticContact CD2-CE1 3.9Å; W852-F888 HydrophobicContact CD2-CE1 3.9Å; W852-F888 HydrophobicContact CD2-CZ 4.06Å; W852-F888 HydrophobicContact CE3-CE1 4.16Å; W852-F888 HydrophobicContact CG-CE1 4.02Å; W852-F888 AromaticContact CG-CZ 3.68Å; W852-F888 HydrophobicContact CG-CZ 3.68Å; W852-F889 AromaticContact CH2-CE1 3.63Å; W852-F889 HydrophobicContact CH2-CE1 3.63Å; W852-F889 HydrophobicContact CH2-CZ 4.38Å; W852-F889 AromaticContact CZ2-CE1 3.92Å; W852-F889 HydrophobicContact CZ2-CE1 3.92Å; W852-F889 AromaticContact CZ3-CE1 4Å; W852-F889 HydrophobicContact CZ3-CE1 4Å; W852-F889 HydrophobicContact CZ3-CZ 4.38Å; W852-H892 AromaticContact CD1-CD2 3.87Å; W852-A894 HydrophobicContact CH2-CB 4.4Å; W852-A894 HydrophobicContact CZ2-CB 4.09Å
853	E	95.3	Very high	91.2	Very high	152 Å²	152	48 Å²	48	71%	0.71	24%	0.236	S	C	*	.	H	α-helix	trans	-59.5	-47.2	-179.8	-174.4	176.4	177	0	0	112.1	N851 N857	N851-E853 VanDerWaalsContact C-N 3.34Å; N851-E853 PolarHBondContact O-N 2.86Å; E853-N857 VanDerWaalsContact O-CB 3.24Å; E853-N857 WeakPolarHBondContact O-CB 3.22Å; E853-N857 PolarHBondContact O-N 3.1Å; E853-N857 PolarHBondContact O-ND2 3.06Å; E853-N857 VanDerWaalsContact O-ND2 3.13Å
854	E	93.9	Very high	90.8	Very high	85 Å²	85	47.2 Å²	47.2	40%	0.397	23%	0.228	S	C	.	.	H	α-helix	trans	-62.1	-48	174.6	170.5	57.7	-151.3	0	0	111.7	N851 W852 Y856 N857 R858	N851-E854 PolarHBondContact O-N 3.2Å; W852-E854 PolarHBondContact O-N 3.44Å; E854-Y856 PolarHBondContact O-N 3.48Å; E854-N857 PolarHBondContact O-N 2.78Å; E854-R858 WeakPolarHBondContact O-CB 3.36Å; E854-R858 PolarHBondContact O-N 2.86Å; E854-R858 VanDerWaalsContact O-N 3.08Å; E854-R858 IonicContact OE1-CZ 3.67Å; E854-R858 IonicContact OE1-NE 3.32Å; E854-R858 PolarHBondContact OE1-NE 2.95Å; E854-R858 IonicContact OE1-NH2 2.8Å; E854-R858 PolarHBondContact OE1-NH2 3.27Å
855	L	94.6	Very high	90.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.8	-37.3	-178.4	-68.8	164.8	0	0	0	112.1	L817 T826 I830 V848 N851 W852 Y859 L868	L817-L855 HydrophobicContact CD2-CD2 4Å; T826-L855 HydrophobicContact CG2-CD2 4.36Å; I830-L855 HydrophobicContact CD1-CD2 4.36Å; V848-L855 HydrophobicContact CB-CD1 4.33Å; V848-L855 HydrophobicContact CG1-CD1 4.32Å; V848-L855 HydrophobicContact CG2-CD1 4.25Å; N851-L855 HydrophobicContact CB-CD1 4.13Å; N851-L855 WeakPolarHBondContact O-CG 3.32Å; N851-L855 PolarHBondContact O-N 3.4Å; N851-L855 VanDerWaalsContact O-N 3.12Å; W852-L855 PolarHBondContact O-N 2.84Å; L855-Y859 HydrophobicContact CD2-CE2 4.02Å; L855-Y859 WeakPolarHBondContact O-CD2 3.4Å; L855-Y859 PolarHBondContact O-N 2.93Å; L855-L868 HydrophobicContact CB-CD2 4.08Å; L855-L868 HydrophobicContact CD1-CD2 4.24Å; L855-L868 HydrophobicContact CD2-CD2 3.95Å; L855-L868 HydrophobicContact CG-CD2 4.32Å
856	Y	92.7	Very high	90.1	Very high	56 Å²	56	48 Å²	48	22%	0.22	23%	0.234	C	C	.	.	H	α-helix	trans	-70.8	-48.9	175.8	-177.6	-98.4	0	0	0	111.2	W852 E854 R858 Y859 Q860 A894	W852-Y856 HydrophobicContact CH2-CD2 4.42Å; W852-Y856 AromaticContact CZ2-CD2 3.67Å; W852-Y856 HydrophobicContact CZ2-CD2 3.67Å; W852-Y856 HydrophobicContact CZ2-CG 4.26Å; W852-Y856 WeakPolarHBondContact O-CB 3.11Å; W852-Y856 PolarHBondContact O-N 3.33Å; E854-Y856 PolarHBondContact O-N 3.48Å; Y856-R858 PolarHBondContact O-N 3.08Å; Y856-R858 VanDerWaalsContact O-N 3.16Å; Y856-Y859 PolarHBondContact O-N 2.72Å; Y856-Y859 VanDerWaalsContact O-N 3.1Å; Y856-Q860 HydrophobicContact CD1-CB 4.31Å; Y856-Q860 HydrophobicContact CE1-CB 3.89Å; Y856-Q860 HydrophobicContact CE1-CG 4.46Å; Y856-Q860 HydrophobicContact CE2-CB 4.13Å; Y856-Q860 WeakPolarHBondContact O-CB 3.32Å; Y856-Q860 PolarHBondContact O-N 3.08Å; Y856-A894 HydrophobicContact CE2-CB 4.34Å
857	N	89.6	Confident	89.8	Confident	79 Å²	79	49.2 Å²	49.2	42%	0.422	24%	0.236	S	C	.	.	H	α-helix	trans	-56.5	-35.9	179.6	-77.3	-27.1	0	0	0	112.6	E853 E854 Q860	E853-N857 VanDerWaalsContact O-CB 3.24Å; E853-N857 WeakPolarHBondContact O-CB 3.22Å; E853-N857 PolarHBondContact O-N 3.1Å; E853-N857 PolarHBondContact O-ND2 3.06Å; E853-N857 VanDerWaalsContact O-ND2 3.13Å; E854-N857 PolarHBondContact O-N 2.78Å; N857-Q860 PolarHBondContact O-NE2 3.28Å
858	R	88.8	Confident	89.6	Confident	67 Å²	67	48.9 Å²	48.9	25%	0.253	23%	0.234	S	C	.	.	H	α-helix	trans	-75.5	-22.7	-179.9	-170.5	-174.6	-76.2	-137.9	-5	114.8	P823 E854 Y856	P823-R858 HydrophobicContact CB-CG 4.38Å; E854-R858 WeakPolarHBondContact O-CB 3.36Å; E854-R858 PolarHBondContact O-N 2.86Å; E854-R858 VanDerWaalsContact O-N 3.08Å; E854-R858 IonicContact OE1-CZ 3.67Å; E854-R858 IonicContact OE1-NE 3.32Å; E854-R858 PolarHBondContact OE1-NE 2.95Å; E854-R858 IonicContact OE1-NH2 2.8Å; E854-R858 PolarHBondContact OE1-NH2 3.27Å; Y856-R858 PolarHBondContact O-N 3.08Å; Y856-R858 VanDerWaalsContact O-N 3.16Å
859	Y	88.8	Confident	89.5	Confident	9 Å²	9	48.9 Å²	48.9	4%	0.035	24%	0.235	C	C	.	.	H	α-helix	trans	-131.3	8.4	-173	-49.3	-51.4	0	0	0	115.4	P823 T826 V827 L855 Y856 G861 L864 I865 L868	P823-Y859 PolarHBondContact O-OH 2.92Å; T826-Y859 WeakPolarHBondContact CB-OH 3.26Å; T826-Y859 WeakPolarHBondContact CG2-OH 3.48Å; V827-Y859 HydrophobicContact CG2-CE2 4.01Å; L855-Y859 HydrophobicContact CD2-CE2 4.02Å; L855-Y859 WeakPolarHBondContact O-CD2 3.4Å; L855-Y859 PolarHBondContact O-N 2.93Å; Y856-Y859 PolarHBondContact O-N 2.72Å; Y856-Y859 VanDerWaalsContact O-N 3.1Å; Y859-G861 PolarHBondContact O-N 2.68Å; Y859-L864 HydrophobicContact CD1-CB 3.65Å; Y859-L864 HydrophobicContact CD1-CD1 3.73Å; Y859-L864 HydrophobicContact CD1-CG 4.36Å; Y859-L864 HydrophobicContact CE1-CB 4.24Å; Y859-L864 HydrophobicContact CE1-CD1 3.86Å; Y859-L864 HydrophobicContact CG-CB 3.84Å; Y859-I865 HydrophobicContact CD2-CD1 4.32Å; Y859-L868 HydrophobicContact CD2-CD2 4.27Å; Y859-L868 HydrophobicContact CE2-CD2 4.1Å
860	Q	81.4	Confident	89.3	Confident	76 Å²	76	48.7 Å²	48.7	36%	0.355	24%	0.236	S	C	.	.	S	Bend	trans	-67.4	124.8	-177.3	57	-176.1	-33.4	0	0	113.7	K174 Y856 N857	K174-Q860 PolarHBondContact NZ-O 2.74Å; K174-Q860 VanDerWaalsContact NZ-O 3.08Å; Y856-Q860 HydrophobicContact CD1-CB 4.31Å; Y856-Q860 HydrophobicContact CE1-CB 3.89Å; Y856-Q860 HydrophobicContact CE1-CG 4.46Å; Y856-Q860 HydrophobicContact CE2-CB 4.13Å; Y856-Q860 WeakPolarHBondContact O-CB 3.32Å; Y856-Q860 PolarHBondContact O-N 3.08Å; N857-Q860 PolarHBondContact O-NE2 3.28Å
861	G	66.6	Low	89.1	Confident	29 Å²	29	47.8 Å²	47.8	30%	0.299	23%	0.23	S	C	.	.	S	Bend	trans	64.9	81.5	-168.9	0	0	0	0	0	109.8	K174 D447 Y859	K174-G861 PolarHBondContact NZ-O 3.22Å; D447-G861 VanDerWaalsContact OD2-CA 3.24Å; D447-G861 WeakPolarHBondContact OD2-CA 3.48Å; Y859-G861 PolarHBondContact O-N 2.68Å
862	G	70.3	Confident	89	Confident	17 Å²	17	45.3 Å²	45.3	18%	0.175	22%	0.217	C	C	.	.	S	Bend	trans	155.7	141.9	-172.6	0	0	0	0	0	113.2	D447 L864 I865	D447-G862 PolarHBondContact OD2-N 3.09Å; G862-L864 PolarHBondContact O-N 3.28Å; G862-I865 PolarHBondContact O-N 3.21Å
863	F	76.6	Confident	88.9	Confident	57 Å²	57	44.4 Å²	44.4	25%	0.25	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-18.5	-167.1	-41	-62.7	0	0	0	116.5	A332 F450 I865 R867	A332-F863 HydrophobicContact CB-CD2 4.39Å; A332-F863 HydrophobicContact CB-CE2 4.26Å; F450-F863 HydrophobicContact CB-CD1 3.94Å; F450-F863 HydrophobicContact CB-CE1 3.51Å; F450-F863 HydrophobicContact CB-CZ 4.33Å; F450-F863 HydrophobicContact CD1-CE1 4.48Å; F450-F863 AromaticContact CD2-CE1 3.52Å; F450-F863 HydrophobicContact CD2-CE1 3.52Å; F450-F863 AromaticContact CD2-CZ 3.95Å; F450-F863 HydrophobicContact CD2-CZ 3.95Å; F450-F863 HydrophobicContact CE2-CE1 4.29Å; F450-F863 HydrophobicContact CE2-CZ 4.32Å; F450-F863 AromaticContact CG-CE1 3.62Å; F450-F863 HydrophobicContact CG-CE1 3.62Å; F450-F863 HydrophobicContact CG-CZ 4.06Å; F863-I865 PolarHBondContact O-N 3.45Å; F863-R867 PolarHBondContact O-N 3.21Å
864	L	89.1	Confident	88.6	Confident	8 Å²	8	39.1 Å²	39.1	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-70.3	-28.8	-174.4	-67.5	178.5	0	0	0	113.3	M173 Q824 V827 Y859 G862 L868	M173-L864 HydrophobicContact CE-CD1 4.05Å; Q824-L864 HydrophobicContact CB-CD1 4.22Å; V827-L864 HydrophobicContact CG2-CB 4.45Å; Y859-L864 HydrophobicContact CD1-CB 3.65Å; Y859-L864 HydrophobicContact CD1-CD1 3.73Å; Y859-L864 HydrophobicContact CD1-CG 4.36Å; Y859-L864 HydrophobicContact CE1-CB 4.24Å; Y859-L864 HydrophobicContact CE1-CD1 3.86Å; Y859-L864 HydrophobicContact CG-CB 3.84Å; G862-L864 PolarHBondContact O-N 3.28Å; L864-L868 WeakPolarHBondContact O-CB 3.24Å; L864-L868 PolarHBondContact O-N 2.81Å
865	I	90.8	Very high	88.4	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.015	18%	0.179	C	C	.	.	H	α-helix	trans	-68.8	-47.2	-179.5	-163.8	63	0	0	0	111.5	W852 Y859 G862 F863 R867 L868 I869 A897	W852-I865 HydrophobicContact CH2-CD1 3.56Å; W852-I865 HydrophobicContact CH2-CG1 3.97Å; W852-I865 HydrophobicContact CZ2-CD1 4.37Å; W852-I865 HydrophobicContact CZ3-CD1 3.9Å; Y859-I865 HydrophobicContact CD2-CD1 4.32Å; G862-I865 PolarHBondContact O-N 3.21Å; F863-I865 PolarHBondContact O-N 3.45Å; I865-R867 VanDerWaalsContact C-N 3.35Å; I865-R867 PolarHBondContact O-N 3.33Å; I865-L868 WeakPolarHBondContact O-CB 3.29Å; I865-L868 PolarHBondContact O-N 2.78Å; I865-I869 HydrophobicContact CG1-CD1 4.49Å; I865-I869 WeakPolarHBondContact O-CG1 3.35Å; I865-I869 PolarHBondContact O-N 3.21Å; I865-A897 HydrophobicContact CG2-CB 4.43Å
866	S	90.6	Very high	88.4	Confident	17 Å²	17	36 Å²	36	12%	0.119	18%	0.18	C	C	.	.	H	α-helix	trans	-63.2	-41.4	176.7	-58.5	0	0	0	0	111.3	L868 I869 K870 A896 A897 T900	S866-L868 PolarHBondContact O-N 3.1Å; S866-I869 PolarHBondContact O-N 2.86Å; S866-K870 WeakPolarHBondContact O-CB 3.38Å; S866-K870 PolarHBondContact O-N 2.93Å; S866-A896 PolarHBondContact OG-O 2.8Å; S866-A897 VanDerWaalsContact OG-CB 3.26Å; S866-A897 WeakPolarHBondContact OG-CB 3.23Å; S866-T900 WeakPolarHBondContact O-CG2 3.42Å
867	R	91.4	Very high	88.5	Confident	132 Å²	132	33.6 Å²	33.6	50%	0.498	17%	0.172	S	C	.	.	H	α-helix	trans	-60.6	-42.4	173.5	-171.1	177.1	-173.9	154.3	6.7	112.6	V827 F863 I865 L871	V827-R867 HydrophobicContact CG1-CB 4.37Å; V827-R867 HydrophobicContact CG1-CG 4.01Å; F863-R867 PolarHBondContact O-N 3.21Å; I865-R867 VanDerWaalsContact C-N 3.35Å; I865-R867 PolarHBondContact O-N 3.33Å; R867-L871 HydrophobicContact CG-CD1 3.88Å; R867-L871 HydrophobicContact CG-CG 4.43Å; R867-L871 WeakPolarHBondContact O-CB 3.5Å; R867-L871 VanDerWaalsContact O-CG 3.27Å; R867-L871 WeakPolarHBondContact O-CG 3.32Å; R867-L871 PolarHBondContact O-N 2.99Å
868	L	94.9	Very high	88.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-44.9	177.9	175.8	63.4	0	0	0	112.1	V827 I830 V848 L855 Y859 L864 I865 S866 T872	V827-L868 HydrophobicContact CG1-CB 4.07Å; V827-L868 HydrophobicContact CG1-CD1 4.42Å; V827-L868 HydrophobicContact CG2-CB 4.16Å; V827-L868 HydrophobicContact CG2-CD1 4.43Å; I830-L868 HydrophobicContact CB-CD1 4.17Å; I830-L868 HydrophobicContact CD1-CD1 3.9Å; I830-L868 HydrophobicContact CG2-CD1 3.98Å; V848-L868 HydrophobicContact CG2-CD1 4.12Å; V848-L868 HydrophobicContact CG2-CG 4.48Å; L855-L868 HydrophobicContact CB-CD2 4.08Å; L855-L868 HydrophobicContact CD1-CD2 4.24Å; L855-L868 HydrophobicContact CD2-CD2 3.95Å; L855-L868 HydrophobicContact CG-CD2 4.32Å; Y859-L868 HydrophobicContact CD2-CD2 4.27Å; Y859-L868 HydrophobicContact CE2-CD2 4.1Å; L864-L868 WeakPolarHBondContact O-CB 3.24Å; L864-L868 PolarHBondContact O-N 2.81Å; I865-L868 WeakPolarHBondContact O-CB 3.29Å; I865-L868 PolarHBondContact O-N 2.78Å; S866-L868 PolarHBondContact O-N 3.1Å; L868-T872 WeakPolarHBondContact O-CB 3.45Å; L868-T872 PolarHBondContact O-N 2.86Å; L868-T872 PolarHBondContact O-OG1 3.17Å
869	I	95.1	Very high	88.8	Confident	2 Å²	2	35 Å²	35	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-58.6	-57	176.4	-66	166.3	0	0	0	109.4	W852 I865 S866 L871 T872 V873 F889 A897 T900 V901	W852-I869 HydrophobicContact CH2-CD1 4.17Å; W852-I869 HydrophobicContact CH2-CG1 4.39Å; W852-I869 HydrophobicContact CZ3-CG1 4.41Å; I865-I869 HydrophobicContact CG1-CD1 4.49Å; I865-I869 WeakPolarHBondContact O-CG1 3.35Å; I865-I869 PolarHBondContact O-N 3.21Å; S866-I869 PolarHBondContact O-N 2.86Å; I869-L871 PolarHBondContact O-N 2.92Å; I869-T872 PolarHBondContact O-N 3.1Å; I869-V873 HydrophobicContact CG2-CG2 4.34Å; I869-V873 PolarHBondContact O-N 3.17Å; I869-V873 VanDerWaalsContact O-N 3.11Å; I869-F889 HydrophobicContact CD1-CE1 3.92Å; I869-F889 HydrophobicContact CD1-CZ 3.92Å; I869-F889 HydrophobicContact CG1-CE1 4.26Å; I869-F889 HydrophobicContact CG1-CZ 3.83Å; I869-F889 HydrophobicContact CG2-CE2 4.21Å; I869-F889 HydrophobicContact CG2-CZ 4.16Å; I869-A897 HydrophobicContact CD1-CB 3.7Å; I869-T900 HydrophobicContact CB-CG2 4.33Å; I869-T900 HydrophobicContact CG2-CG2 4.22Å; I869-V901 HydrophobicContact CD1-CG2 4.2Å; I869-V901 HydrophobicContact CG2-CG2 4.19Å
870	K	93.9	Very high	89.1	Confident	72 Å²	72	41.6 Å²	41.6	31%	0.313	21%	0.212	S	C	.	.	H	α-helix	trans	-57.4	-49.9	-175.9	-166.9	165.3	-172.9	162.3	0	112.5	S866 T872 D874 T900	S866-K870 WeakPolarHBondContact O-CB 3.38Å; S866-K870 PolarHBondContact O-N 2.93Å; K870-T872 PolarHBondContact O-N 2.79Å; K870-D874 HydrophobicContact CG-CB 4.23Å; K870-D874 WeakPolarHBondContact O-CB 3.5Å; K870-D874 PolarHBondContact O-N 2.74Å; K870-T900 HydrophobicContact CB-CG2 4.2Å
871	L	93.8	Very high	89.7	Confident	72 Å²	72	39 Å²	39	38%	0.377	20%	0.201	S	C	.	.	H	α-helix	trans	-60.4	-28.8	178.3	-72.2	172.9	0	0	0	113.5	V827 A834 R867 I869	V827-L871 HydrophobicContact CG1-CD1 3.92Å; A834-L871 VanDerWaalsContact CB-O 3.29Å; A834-L871 WeakPolarHBondContact CB-O 3.36Å; R867-L871 HydrophobicContact CG-CD1 3.88Å; R867-L871 HydrophobicContact CG-CG 4.43Å; R867-L871 WeakPolarHBondContact O-CB 3.5Å; R867-L871 VanDerWaalsContact O-CG 3.27Å; R867-L871 WeakPolarHBondContact O-CG 3.32Å; R867-L871 PolarHBondContact O-N 2.99Å; I869-L871 PolarHBondContact O-N 2.92Å
872	T	95	Very high	91.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-82.1	-45.7	-176.1	-58.1	0	0	0	0	112.6	R841 A844 W845 V848 L868 I869 K870	R841-T872 WeakPolarHBondContact CG-O 3.39Å; A844-T872 HydrophobicContact CB-CG2 4.24Å; W845-T872 HydrophobicContact CB-CG2 3.92Å; W845-T872 HydrophobicContact CE3-CG2 4.08Å; V848-T872 HydrophobicContact CB-CG2 4.42Å; V848-T872 HydrophobicContact CG2-CG2 4.06Å; L868-T872 WeakPolarHBondContact O-CB 3.45Å; L868-T872 PolarHBondContact O-N 2.86Å; L868-T872 PolarHBondContact O-OG1 3.17Å; I869-T872 PolarHBondContact O-N 3.1Å; K870-T872 PolarHBondContact O-N 2.79Å
873	V	94.7	Very high	92.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-108.1	-28.1	-166	-52.7	0	0	0	0	115.6	W845 I869 G875 F876 V885 C904 I908	W845-V873 HydrophobicContact CD2-CG1 3.84Å; W845-V873 HydrophobicContact CE3-CG1 3.46Å; W845-V873 VanDerWaalsContact CE3-CG1 3.46Å; W845-V873 HydrophobicContact CG-CG1 4.44Å; W845-V873 HydrophobicContact CH2-CG1 4.44Å; W845-V873 HydrophobicContact CZ3-CG1 3.81Å; I869-V873 HydrophobicContact CG2-CG2 4.34Å; I869-V873 PolarHBondContact O-N 3.17Å; I869-V873 VanDerWaalsContact O-N 3.11Å; V873-G875 VanDerWaalsContact C-N 3.28Å; V873-G875 PolarHBondContact O-N 3.34Å; V873-G875 VanDerWaalsContact O-N 3.09Å; V873-F876 HydrophobicContact CB-CD2 4.2Å; V873-F876 HydrophobicContact CB-CE2 4.27Å; V873-F876 HydrophobicContact CG1-CE2 4.42Å; V873-F876 WeakPolarHBondContact O-CD2 3.37Å; V873-F876 PolarHBondContact O-N 3.38Å; V873-V885 HydrophobicContact CB-CG2 3.98Å; V873-V885 HydrophobicContact CG1-CG2 3.86Å; V873-V885 HydrophobicContact CG2-CG1 4.32Å; V873-V885 HydrophobicContact CG2-CG2 4.42Å; V873-C904 HydrophobicContact CG2-CB 3.61Å; V873-I908 HydrophobicContact CB-CD1 4.37Å; V873-I908 WeakPolarHBondContact O-CD1 3.46Å
874	D	88.7	Confident	93.3	Very high	41 Å²	41	41.6 Å²	41.6	22%	0.219	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-37.1	-164.5	-174.6	73.1	0	0	0	114.2	K870 F876 N907 N911	K870-D874 HydrophobicContact CG-CB 4.23Å; K870-D874 WeakPolarHBondContact O-CB 3.5Å; K870-D874 PolarHBondContact O-N 2.74Å; D874-F876 VanDerWaalsContact C-N 3.34Å; D874-F876 PolarHBondContact O-N 3.34Å; D874-N907 WeakPolarHBondContact OD1-CB 3.49Å; D874-N907 PolarHBondContact OD1-ND2 2.7Å; D874-N911 PolarHBondContact O-ND2 2.89Å
875	G	88.3	Confident	93.7	Very high	15 Å²	15	41.2 Å²	41.2	16%	0.155	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	21.2	179.2	0	0	0	0	0	116.4	R841 V873	R841-G875 WeakPolarHBondContact CD-O 3.5Å; R841-G875 VanDerWaalsContact CZ-CA 3.49Å; R841-G875 VanDerWaalsContact NE-C 3.3Å; R841-G875 PolarHBondContact NE-O 2.75Å; V873-G875 VanDerWaalsContact C-N 3.28Å; V873-G875 PolarHBondContact O-N 3.34Å; V873-G875 VanDerWaalsContact O-N 3.09Å
876	F	95.3	Very high	93.9	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.018	23%	0.229	C	C	.	.			trans	-75.3	157.1	161.4	-69.4	-63.4	0	0	0	110.5	R841 K842 W845 V873 D874 M881 I908 N911	R841-F876 HydrophobicContact CB-CE1 4.12Å; R841-F876 HydrophobicContact CB-CZ 4.38Å; R841-F876 HydrophobicContact CG-CD1 4.15Å; R841-F876 HydrophobicContact CG-CE1 3.68Å; R841-F876 HydrophobicContact CG-CE2 4.19Å; R841-F876 HydrophobicContact CG-CZ 3.7Å; K842-F876 HydrophobicContact CG-CE1 4.12Å; W845-F876 HydrophobicContact CB-CE2 4.1Å; W845-F876 HydrophobicContact CB-CZ 3.97Å; W845-F876 HydrophobicContact CG-CE2 4.13Å; W845-F876 HydrophobicContact CG-CZ 4.31Å; V873-F876 HydrophobicContact CB-CD2 4.2Å; V873-F876 HydrophobicContact CB-CE2 4.27Å; V873-F876 HydrophobicContact CG1-CE2 4.42Å; V873-F876 WeakPolarHBondContact O-CD2 3.37Å; V873-F876 PolarHBondContact O-N 3.38Å; D874-F876 VanDerWaalsContact C-N 3.34Å; D874-F876 PolarHBondContact O-N 3.34Å; F876-M881 HydrophobicContact CB-CB 3.97Å; F876-M881 HydrophobicContact CB-CG 4.13Å; F876-M881 HydrophobicContact CD1-CG 4.07Å; F876-M881 HydrophobicContact CD2-CB 4.17Å; F876-M881 HydrophobicContact CD2-CE 4.14Å; F876-M881 HydrophobicContact CD2-CG 4.34Å; F876-M881 HydrophobicContact CE1-CE 4.3Å; F876-M881 HydrophobicContact CE2-CE 3.83Å; F876-M881 HydrophobicContact CG-CB 4.05Å; F876-M881 HydrophobicContact CG-CG 3.95Å; F876-M881 HydrophobicContact CZ-CE 3.92Å; F876-I908 HydrophobicContact CB-CD1 4.15Å; F876-I908 HydrophobicContact CB-CG1 3.96Å; F876-I908 HydrophobicContact CB-CG2 4.04Å; F876-I908 HydrophobicContact CD2-CD1 4.29Å; F876-N911 WeakPolarHBondContact O-CB 3.34Å; F876-N911 PolarHBondContact O-ND2 3.14Å; F876-N911 VanDerWaalsContact O-ND2 3.16Å
877	A	94.1	Very high	94.2	Very high	6 Å²	6	48.4 Å²	48.4	5%	0.05	24%	0.242	C	C	.	.			trans	-141.2	49.3	-177.9	0	0	0	0	0	111.4	L682 N911 L915	L682-A877 HydrophobicContact CD1-CB 4Å; A877-N911 HydrophobicContact CB-CB 3.77Å; A877-L915 HydrophobicContact CB-CD2 4.41Å
878	I	93	Very high	94.5	Very high	76 Å²	76	43 Å²	43	39%	0.39	22%	0.223	S	C	.	.			trans	-149.7	125	-179.8	-51	175.9	0	0	0	108.9	K880 M881 I908	I878-K880 HydrophobicContact CG2-CB 4.38Å; I878-K880 PolarHBondContact O-N 3.07Å; I878-K880 VanDerWaalsContact O-N 3.1Å; I878-M881 HydrophobicContact CB-CG 4.31Å; I878-M881 WeakPolarHBondContact O-CB 3.24Å; I878-M881 PolarHBondContact O-N 2.84Å; I878-I908 WeakPolarHBondContact O-CG2 3.42Å
879	D	92.4	Very high	94.5	Very high	99 Å²	99	43.9 Å²	43.9	53%	0.529	23%	0.227	S	C	.	.	H	α-helix	trans	-47.9	-43.8	-176.6	-46.3	1.9	0	0	0	113.2	M881 A882 T883 L909 A912	D879-M881 PolarHBondContact O-N 2.82Å; D879-A882 WeakPolarHBondContact O-CB 3.44Å; D879-A882 PolarHBondContact O-N 2.6Å; D879-T883 PolarHBondContact O-N 3.12Å; D879-T883 PolarHBondContact O-OG1 2.9Å; D879-L909 HydrophobicContact CB-CD2 4.16Å; D879-A912 WeakPolarHBondContact OD1-CB 3.22Å
880	K	95	Very high	94.5	Very high	148 Å²	148	49 Å²	49	64%	0.643	25%	0.251	S	S	*	.	H	α-helix	trans	-56.8	-32.6	178.7	-177.1	179.1	175.4	-175.2	0	112.8	I878 T883 E884	I878-K880 HydrophobicContact CG2-CB 4.38Å; I878-K880 PolarHBondContact O-N 3.07Å; I878-K880 VanDerWaalsContact O-N 3.1Å; K880-T883 PolarHBondContact O-N 2.75Å; K880-E884 WeakPolarHBondContact O-CB 3.36Å; K880-E884 PolarHBondContact O-N 3.01Å
881	M	95.2	Very high	94.5	Very high	22 Å²	22	49.2 Å²	49.2	11%	0.108	26%	0.261	C	S	.	.	H	α-helix	trans	-70	-34.8	177.5	-64.5	-52.2	-48.3	0	0	111.7	F876 I878 D879 T883 E884 V885 I908	F876-M881 HydrophobicContact CB-CB 3.97Å; F876-M881 HydrophobicContact CB-CG 4.13Å; F876-M881 HydrophobicContact CD1-CG 4.07Å; F876-M881 HydrophobicContact CD2-CB 4.17Å; F876-M881 HydrophobicContact CD2-CE 4.14Å; F876-M881 HydrophobicContact CD2-CG 4.34Å; F876-M881 HydrophobicContact CE1-CE 4.3Å; F876-M881 HydrophobicContact CE2-CE 3.83Å; F876-M881 HydrophobicContact CG-CB 4.05Å; F876-M881 HydrophobicContact CG-CG 3.95Å; F876-M881 HydrophobicContact CZ-CE 3.92Å; I878-M881 HydrophobicContact CB-CG 4.31Å; I878-M881 WeakPolarHBondContact O-CB 3.24Å; I878-M881 PolarHBondContact O-N 2.84Å; D879-M881 PolarHBondContact O-N 2.82Å; M881-T883 VanDerWaalsContact C-N 3.35Å; M881-E884 HydrophobicContact CE-CB 4.5Å; M881-E884 PolarHBondContact O-N 2.73Å; M881-V885 WeakPolarHBondContact O-CB 3.48Å; M881-V885 VanDerWaalsContact O-CG2 3.24Å; M881-V885 WeakPolarHBondContact O-CG2 3.42Å; M881-V885 PolarHBondContact O-N 3.41Å; M881-I908 HydrophobicContact CB-CG2 4.12Å
882	A	95.4	Very high	94.5	Very high	8 Å²	8	49.4 Å²	49.4	7%	0.066	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-41.7	173.4	0	0	0	0	0	110.9	D879 K886 C905 I908 L909	D879-A882 WeakPolarHBondContact O-CB 3.44Å; D879-A882 PolarHBondContact O-N 2.6Å; A882-K886 VanDerWaalsContact O-CB 3.3Å; A882-K886 WeakPolarHBondContact O-CB 3.46Å; A882-K886 PolarHBondContact O-N 2.65Å; A882-C905 HydrophobicContact CB-CB 4.42Å; A882-I908 HydrophobicContact CB-CB 4.2Å; A882-I908 HydrophobicContact CB-CG2 3.97Å; A882-L909 HydrophobicContact CB-CD1 4.45Å; A882-L909 HydrophobicContact CB-CD2 4.12Å; A882-L909 HydrophobicContact CB-CG 3.95Å
883	T	95.9	Very high	94.3	Very high	89 Å²	89	53.6 Å²	53.6	55%	0.546	29%	0.287	S	S	.	.	H	α-helix	trans	-62.1	-44.1	172.6	-41.8	0	0	0	0	112.3	D879 K880 M881 K886 S887	D879-T883 PolarHBondContact O-N 3.12Å; D879-T883 PolarHBondContact O-OG1 2.9Å; K880-T883 PolarHBondContact O-N 2.75Å; M881-T883 VanDerWaalsContact C-N 3.35Å; T883-K886 PolarHBondContact O-N 3.35Å; T883-S887 PolarHBondContact O-N 2.76Å
884	E	96.7	Very high	93.9	Very high	59 Å²	59	53.9 Å²	53.9	28%	0.276	29%	0.289	S	S	.	.	H	α-helix	trans	-66.7	-38.6	-179.4	-171.9	178.8	129.5	0	0	112.7	W845 R849 K880 M881 F888	W845-E884 PolarHBondContact NE1-OE1 2.81Å; W845-E884 VanDerWaalsContact NE1-OE1 3.16Å; R849-E884 IonicContact CZ-OE1 2.78Å; R849-E884 IonicContact NH1-OE1 3.63Å; R849-E884 PolarHBondContact NH1-OE1 3.42Å; R849-E884 IonicContact NH2-OE1 3.87Å; R849-E884 PolarHBondContact NH2-OE1 2.89Å; K880-E884 WeakPolarHBondContact O-CB 3.36Å; K880-E884 PolarHBondContact O-N 3.01Å; M881-E884 HydrophobicContact CE-CB 4.5Å; M881-E884 PolarHBondContact O-N 2.73Å; E884-F888 WeakPolarHBondContact O-CB 3.45Å; E884-F888 PolarHBondContact O-N 3.06Å
885	V	96.7	Very high	93.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-50	173.7	168.5	0	0	0	0	110.1	W845 V873 M881 S887 F888 F889 I908	W845-V885 HydrophobicContact CH2-CG2 4.27Å; W845-V885 HydrophobicContact CZ2-CB 4.41Å; W845-V885 HydrophobicContact CZ2-CG2 3.81Å; V873-V885 HydrophobicContact CB-CG2 3.98Å; V873-V885 HydrophobicContact CG1-CG2 3.86Å; V873-V885 HydrophobicContact CG2-CG1 4.32Å; V873-V885 HydrophobicContact CG2-CG2 4.42Å; M881-V885 WeakPolarHBondContact O-CB 3.48Å; M881-V885 VanDerWaalsContact O-CG2 3.24Å; M881-V885 WeakPolarHBondContact O-CG2 3.42Å; M881-V885 PolarHBondContact O-N 3.41Å; V885-S887 PolarHBondContact O-N 2.92Å; V885-F888 WeakPolarHBondContact O-CB 3.46Å; V885-F888 PolarHBondContact O-N 3.12Å; V885-F889 HydrophobicContact CG1-CD2 4.02Å; V885-F889 HydrophobicContact CG1-CE2 3.99Å; V885-F889 VanDerWaalsContact O-CD2 3.26Å; V885-F889 WeakPolarHBondContact O-CD2 3.3Å; V885-F889 PolarHBondContact O-N 3.13Å; V885-I908 HydrophobicContact CG2-CD1 4.33Å
886	K	95.6	Very high	93.3	Very high	114 Å²	114	54.3 Å²	54.3	50%	0.496	29%	0.292	S	S	.	.	H	α-helix	trans	-57.1	-52.5	-179.8	-167.1	-172	-177.6	-141.9	0	111.6	A882 T883 F888 F889 E890	A882-K886 VanDerWaalsContact O-CB 3.3Å; A882-K886 WeakPolarHBondContact O-CB 3.46Å; A882-K886 PolarHBondContact O-N 2.65Å; T883-K886 PolarHBondContact O-N 3.35Å; K886-F888 PolarHBondContact O-N 2.94Å; K886-F889 PolarHBondContact O-N 3.48Å; K886-F889 VanDerWaalsContact O-N 3.09Å; K886-E890 WeakPolarHBondContact CD-OE1 3.39Å; K886-E890 WeakPolarHBondContact CE-OE1 3.24Å; K886-E890 HydrophobicContact CG-CG 4.25Å; K886-E890 IonicContact NZ-OE1 2.87Å; K886-E890 PolarHBondContact NZ-OE1 2.84Å; K886-E890 WeakPolarHBondContact O-CG 3.49Å; K886-E890 PolarHBondContact O-N 2.93Å
887	S	96.6	Very high	92.9	Very high	57 Å²	57	54.1 Å²	54.1	40%	0.399	29%	0.292	S	S	.	.	H	α-helix	trans	-72.9	-14.5	-177.7	-63	0	0	0	0	114.6	T883 V885 E890 S891	T883-S887 PolarHBondContact O-N 2.76Å; V885-S887 PolarHBondContact O-N 2.92Å; S887-E890 VanDerWaalsContact CA-OE2 3.23Å; S887-E890 WeakPolarHBondContact CA-OE2 3.32Å; S887-E890 WeakPolarHBondContact CB-OE2 3.11Å; S887-E890 PolarHBondContact OG-OE2 2.72Å; S887-S891 PolarHBondContact O-OG 2.87Å
888	F	97.3	Very high	92.7	Very high	20 Å²	20	57.4 Å²	57.4	9%	0.088	31%	0.306	C	S	.	.	H	α-helix	trans	-68	-49.4	164.2	-178	-98.9	0	0	0	111.1	W845 R849 W852 E884 V885 K886 S891 H892	W845-F888 HydrophobicContact CH2-CB 3.97Å; W845-F888 AromaticContact CH2-CD1 3.66Å; W845-F888 HydrophobicContact CH2-CD1 3.66Å; W845-F888 HydrophobicContact CH2-CE1 4.42Å; W845-F888 AromaticContact CH2-CG 3.86Å; W845-F888 HydrophobicContact CH2-CG 3.86Å; W845-F888 HydrophobicContact CZ2-CB 4.05Å; W845-F888 HydrophobicContact CZ2-CG 4.26Å; W845-F888 HydrophobicContact CZ3-CD1 4.4Å; R849-F888 HydrophobicContact CB-CD2 4.36Å; R849-F888 HydrophobicContact CB-CE2 3.85Å; R849-F888 HydrophobicContact CB-CZ 4.18Å; R849-F888 HydrophobicContact CG-CD1 4.28Å; R849-F888 HydrophobicContact CG-CD2 3.66Å; R849-F888 HydrophobicContact CG-CE1 4.17Å; R849-F888 HydrophobicContact CG-CE2 3.55Å; R849-F888 HydrophobicContact CG-CG 4.03Å; R849-F888 HydrophobicContact CG-CZ 3.83Å; W852-F888 HydrophobicContact CB-CZ 3.8Å; W852-F888 AromaticContact CD2-CE1 3.9Å; W852-F888 HydrophobicContact CD2-CE1 3.9Å; W852-F888 HydrophobicContact CD2-CZ 4.06Å; W852-F888 HydrophobicContact CE3-CE1 4.16Å; W852-F888 HydrophobicContact CG-CE1 4.02Å; W852-F888 AromaticContact CG-CZ 3.68Å; W852-F888 HydrophobicContact CG-CZ 3.68Å; E884-F888 WeakPolarHBondContact O-CB 3.45Å; E884-F888 PolarHBondContact O-N 3.06Å; V885-F888 WeakPolarHBondContact O-CB 3.46Å; V885-F888 PolarHBondContact O-N 3.12Å; K886-F888 PolarHBondContact O-N 2.94Å; F888-S891 CarbonylContact O-C 3.57Å; F888-S891 PolarHBondContact O-N 2.82Å; F888-S891 VanDerWaalsContact O-N 3.11Å; F888-S891 PolarHBondContact O-OG 2.87Å; F888-H892 AromaticContact CD2-CE1 3.92Å; F888-H892 AromaticContact CD2-ND1 3.63Å; F888-H892 HydrophobicContact CE1-CB 4.02Å; F888-H892 AromaticContact CE2-CE1 3.54Å; F888-H892 AromaticContact CE2-CG 3.79Å; F888-H892 AromaticContact CE2-ND1 3.43Å; F888-H892 WeakPolarHBondContact CE2-ND1 3.43Å; F888-H892 AromaticContact CE2-NE2 3.93Å; F888-H892 HydrophobicContact CZ-CB 4.02Å; F888-H892 AromaticContact CZ-CG 3.69Å; F888-H892 AromaticContact CZ-ND1 3.81Å; F888-H892 WeakPolarHBondContact O-CB 3.34Å; F888-H892 PolarHBondContact O-N 2.87Å; F888-H892 PolarHBondContact O-ND1 3.09Å
889	F	95.8	Very high	92.5	Very high	17 Å²	17	55.5 Å²	55.5	8%	0.075	29%	0.294	C	S	.	.	H	α-helix	trans	-76.2	-24.2	-179.6	-67.5	-68	0	0	0	114.1	W845 W852 I869 V885 K886 S891 H892 A894 V901	W845-F889 AromaticContact CH2-CE2 3.99Å; W845-F889 HydrophobicContact CH2-CE2 3.99Å; W845-F889 HydrophobicContact CH2-CZ 4.35Å; W845-F889 HydrophobicContact CZ3-CE2 4.29Å; W845-F889 HydrophobicContact CZ3-CZ 4.35Å; W852-F889 AromaticContact CH2-CE1 3.63Å; W852-F889 HydrophobicContact CH2-CE1 3.63Å; W852-F889 HydrophobicContact CH2-CZ 4.38Å; W852-F889 AromaticContact CZ2-CE1 3.92Å; W852-F889 HydrophobicContact CZ2-CE1 3.92Å; W852-F889 AromaticContact CZ3-CE1 4Å; W852-F889 HydrophobicContact CZ3-CE1 4Å; W852-F889 HydrophobicContact CZ3-CZ 4.38Å; I869-F889 HydrophobicContact CD1-CE1 3.92Å; I869-F889 HydrophobicContact CD1-CZ 3.92Å; I869-F889 HydrophobicContact CG1-CE1 4.26Å; I869-F889 HydrophobicContact CG1-CZ 3.83Å; I869-F889 HydrophobicContact CG2-CE2 4.21Å; I869-F889 HydrophobicContact CG2-CZ 4.16Å; V885-F889 HydrophobicContact CG1-CD2 4.02Å; V885-F889 HydrophobicContact CG1-CE2 3.99Å; V885-F889 VanDerWaalsContact O-CD2 3.26Å; V885-F889 WeakPolarHBondContact O-CD2 3.3Å; V885-F889 PolarHBondContact O-N 3.13Å; K886-F889 PolarHBondContact O-N 3.48Å; K886-F889 VanDerWaalsContact O-N 3.09Å; F889-S891 PolarHBondContact O-N 2.92Å; F889-H892 CarbonylContact O-C 3.55Å; F889-H892 PolarHBondContact O-N 3.08Å; F889-A894 HydrophobicContact CD1-CB 4.48Å; F889-V901 HydrophobicContact CB-CG1 3.96Å; F889-V901 HydrophobicContact CB-CG2 4.23Å; F889-V901 HydrophobicContact CD1-CG2 4.06Å; F889-V901 HydrophobicContact CD2-CB 4.26Å; F889-V901 HydrophobicContact CD2-CG1 3.61Å; F889-V901 HydrophobicContact CD2-CG2 3.54Å; F889-V901 HydrophobicContact CE1-CG2 4.37Å; F889-V901 HydrophobicContact CE2-CG1 4.48Å; F889-V901 HydrophobicContact CE2-CG2 3.88Å; F889-V901 HydrophobicContact CG-CB 4.5Å; F889-V901 HydrophobicContact CG-CG1 3.99Å; F889-V901 HydrophobicContact CG-CG2 3.65Å; F889-V901 HydrophobicContact CZ-CG2 4.3Å
890	E	94.6	Very high	92.5	Very high	111 Å²	111	51.8 Å²	51.8	52%	0.519	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-23.5	165.6	-69.6	168.3	159.7	0	0	112.3	K886 S887	K886-E890 WeakPolarHBondContact CD-OE1 3.39Å; K886-E890 WeakPolarHBondContact CE-OE1 3.24Å; K886-E890 HydrophobicContact CG-CG 4.25Å; K886-E890 IonicContact NZ-OE1 2.87Å; K886-E890 PolarHBondContact NZ-OE1 2.84Å; K886-E890 WeakPolarHBondContact O-CG 3.49Å; K886-E890 PolarHBondContact O-N 2.93Å; S887-E890 VanDerWaalsContact CA-OE2 3.23Å; S887-E890 WeakPolarHBondContact CA-OE2 3.32Å; S887-E890 WeakPolarHBondContact CB-OE2 3.11Å; S887-E890 PolarHBondContact OG-OE2 2.72Å
891	S	94.5	Very high	92.5	Very high	75 Å²	75	45.4 Å²	45.4	52%	0.524	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-14.6	177	50.6	0	0	0	0	114.4	S887 F888 F889	S887-S891 PolarHBondContact O-OG 2.87Å; F888-S891 CarbonylContact O-C 3.57Å; F888-S891 PolarHBondContact O-N 2.82Å; F888-S891 VanDerWaalsContact O-N 3.11Å; F888-S891 PolarHBondContact O-OG 2.87Å; F889-S891 PolarHBondContact O-N 2.92Å
892	H	94.4	Very high	92.5	Very high	76 Å²	76	49.6 Å²	49.6	35%	0.352	27%	0.267	S	S	.	.	S	Bend	trans	-134.3	76.9	179.2	-54.9	76.1	0	0	0	109.1	W852 F888 F889	W852-H892 AromaticContact CD1-CD2 3.87Å; F888-H892 AromaticContact CD2-CE1 3.92Å; F888-H892 AromaticContact CD2-ND1 3.63Å; F888-H892 HydrophobicContact CE1-CB 4.02Å; F888-H892 AromaticContact CE2-CE1 3.54Å; F888-H892 AromaticContact CE2-CG 3.79Å; F888-H892 AromaticContact CE2-ND1 3.43Å; F888-H892 WeakPolarHBondContact CE2-ND1 3.43Å; F888-H892 AromaticContact CE2-NE2 3.93Å; F888-H892 HydrophobicContact CZ-CB 4.02Å; F888-H892 AromaticContact CZ-CG 3.69Å; F888-H892 AromaticContact CZ-ND1 3.81Å; F888-H892 WeakPolarHBondContact O-CB 3.34Å; F888-H892 PolarHBondContact O-N 2.87Å; F888-H892 PolarHBondContact O-ND1 3.09Å; F889-H892 CarbonylContact O-C 3.55Å; F889-H892 PolarHBondContact O-N 3.08Å
893	P	89.1	Confident	92.4	Very high	88 Å²	88	49.5 Å²	49.5	57%	0.571	27%	0.266	S	S	*	.			trans	-61.2	142.9	-173.5	-24.4	35.5	0	0	0	113
894	A	87	Confident	92.5	Very high	6 Å²	6	45.3 Å²	45.3	5%	0.05	24%	0.24	C	C	.	.			trans	-132.8	84.6	176.2	0	0	0	0	0	109.6	W852 Y856 F889 A896 A897 E898	W852-A894 HydrophobicContact CH2-CB 4.4Å; W852-A894 HydrophobicContact CZ2-CB 4.09Å; Y856-A894 HydrophobicContact CE2-CB 4.34Å; F889-A894 HydrophobicContact CD1-CB 4.48Å; A894-A896 VanDerWaalsContact C-N 3.31Å; A894-A896 PolarHBondContact O-N 3.26Å; A894-A897 HydrophobicContact CB-CB 4.12Å; A894-A897 CarbonylContact O-C 3.4Å; A894-A897 WeakPolarHBondContact O-CA 3.21Å; A894-A897 PolarHBondContact O-N 3.42Å; A894-E898 PolarHBondContact O-N 2.83Å
895	P	83.1	Confident	92.5	Very high	53 Å²	53	43.3 Å²	43.3	34%	0.344	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-57.6	-35.7	-167.8	-29.8	37.6	0	0	0	115.5	A897	P895-A897 PolarHBondContact O-N 2.86Å
896	A	81.1	Confident	92.5	Very high	12 Å²	12	45 Å²	45	10%	0.099	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-79.9	12.5	176.3	0	0	0	0	0	114.1	D447 S866 A894	D447-A896 HydrophobicContact CB-CB 3.96Å; S866-A896 PolarHBondContact OG-O 2.8Å; A894-A896 VanDerWaalsContact C-N 3.31Å; A894-A896 PolarHBondContact O-N 3.26Å
897	A	88.3	Confident	92.5	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-146.6	9.9	-176.6	0	0	0	0	0	114	E448 I865 S866 I869 A894 P895 R899 T900 V901	E448-A897 VanDerWaalsContact OE1-C 3.3Å; I865-A897 HydrophobicContact CG2-CB 4.43Å; S866-A897 VanDerWaalsContact OG-CB 3.26Å; S866-A897 WeakPolarHBondContact OG-CB 3.23Å; I869-A897 HydrophobicContact CD1-CB 3.7Å; A894-A897 HydrophobicContact CB-CB 4.12Å; A894-A897 CarbonylContact O-C 3.4Å; A894-A897 WeakPolarHBondContact O-CA 3.21Å; A894-A897 PolarHBondContact O-N 3.42Å; P895-A897 PolarHBondContact O-N 2.86Å; A897-R899 PolarHBondContact O-N 2.98Å; A897-T900 PolarHBondContact O-N 3.01Å; A897-T900 VanDerWaalsContact O-N 3.09Å; A897-V901 WeakPolarHBondContact O-CG2 3.19Å; A897-V901 PolarHBondContact O-N 3.43Å
898	E	88.9	Confident	92.5	Very high	75 Å²	75	37.3 Å²	37.3	35%	0.35	20%	0.2	S	C	.	.	H	α-helix	trans	-56.3	-39.7	-178.2	-67.2	-175.8	-151.6	0	0	111.5	R65 E448 A894 Q902	R65-E898 IonicContact CZ-OE1 3.54Å; R65-E898 IonicContact NH1-OE1 3.53Å; R65-E898 IonicContact NH2-OE1 2.76Å; R65-E898 PolarHBondContact NH2-OE1 3.11Å; E448-E898 PolarHBondContact OE1-N 2.92Å; A894-E898 PolarHBondContact O-N 2.83Å; E898-Q902 WeakPolarHBondContact O-CG 3.43Å; E898-Q902 PolarHBondContact O-N 2.87Å; E898-Q902 PolarHBondContact O-NE2 2.83Å
899	R	89.5	Confident	92.5	Very high	37 Å²	37	40.4 Å²	40.4	14%	0.14	22%	0.217	C	C	.	.	H	α-helix	trans	-71.9	-40.1	175.2	-165	-175.3	-44.3	153.9	12.1	112.7	H434 E448 A897 V901 Q902 Q903	H434-R899 PolarHBondContact CD2-NH1 3Å; H434-R899 PolarHBondContact NE2-NH1 3.28Å; E448-R899 PolarHBondContact O-NH1 2.94Å; E448-R899 WeakPolarHBondContact OE1-CB 3.44Å; E448-R899 PolarHBondContact OE1-N 2.93Å; E448-R899 WeakPolarHBondContact OE2-CB 3.45Å; E448-R899 IonicContact OE2-CZ 3.82Å; E448-R899 VanDerWaalsContact OE2-CZ 3.28Å; E448-R899 IonicContact OE2-NE 3.73Å; E448-R899 PolarHBondContact OE2-NE 3.09Å; E448-R899 IonicContact OE2-NH2 2.79Å; E448-R899 PolarHBondContact OE2-NH2 3.36Å; A897-R899 PolarHBondContact O-N 2.98Å; R899-V901 VanDerWaalsContact C-N 3.28Å; R899-V901 PolarHBondContact O-N 3.3Å; R899-Q902 WeakPolarHBondContact O-CB 3.48Å; R899-Q902 PolarHBondContact O-N 2.81Å; R899-Q902 VanDerWaalsContact O-N 3.11Å; R899-Q903 WeakPolarHBondContact O-CG 3.19Å; R899-Q903 PolarHBondContact O-N 2.82Å
900	T	92.1	Very high	92.6	Very high	21 Å²	21	40.7 Å²	40.7	13%	0.129	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-38.8	175.7	-70.8	0	0	0	0	111.3	S866 I869 K870 A897 C904	S866-T900 WeakPolarHBondContact O-CG2 3.42Å; I869-T900 HydrophobicContact CB-CG2 4.33Å; I869-T900 HydrophobicContact CG2-CG2 4.22Å; K870-T900 HydrophobicContact CB-CG2 4.2Å; A897-T900 PolarHBondContact O-N 3.01Å; A897-T900 VanDerWaalsContact O-N 3.09Å; T900-C904 WeakPolarHBondContact O-CB 3.37Å; T900-C904 PolarHBondContact O-N 2.98Å; T900-C904 PolarHBondContact O-SG 2.87Å
901	V	94.4	Very high	92.7	Very high	13 Å²	13	36.1 Å²	36.1	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-64.5	-39.5	174.8	172.6	0	0	0	0	111.5	I869 F889 A897 R899 C905	I869-V901 HydrophobicContact CD1-CG2 4.2Å; I869-V901 HydrophobicContact CG2-CG2 4.19Å; F889-V901 HydrophobicContact CB-CG1 3.96Å; F889-V901 HydrophobicContact CB-CG2 4.23Å; F889-V901 HydrophobicContact CD1-CG2 4.06Å; F889-V901 HydrophobicContact CD2-CB 4.26Å; F889-V901 HydrophobicContact CD2-CG1 3.61Å; F889-V901 HydrophobicContact CD2-CG2 3.54Å; F889-V901 HydrophobicContact CE1-CG2 4.37Å; F889-V901 HydrophobicContact CE2-CG1 4.48Å; F889-V901 HydrophobicContact CE2-CG2 3.88Å; F889-V901 HydrophobicContact CG-CB 4.5Å; F889-V901 HydrophobicContact CG-CG1 3.99Å; F889-V901 HydrophobicContact CG-CG2 3.65Å; F889-V901 HydrophobicContact CZ-CG2 4.3Å; A897-V901 WeakPolarHBondContact O-CG2 3.19Å; A897-V901 PolarHBondContact O-N 3.43Å; R899-V901 VanDerWaalsContact C-N 3.28Å; R899-V901 PolarHBondContact O-N 3.3Å; V901-C905 PolarHBondContact O-N 3.31Å; V901-C905 PolarHBondContact O-SG 3.35Å
902	Q	94.6	Very high	92.8	Very high	110 Å²	110	32.9 Å²	32.9	51%	0.514	18%	0.176	S	C	.	.	H	α-helix	trans	-63.8	-51.1	176.1	-69.1	169.7	56	0	0	111.5	E898 R899 C904 C905 E906	E898-Q902 WeakPolarHBondContact O-CG 3.43Å; E898-Q902 PolarHBondContact O-N 2.87Å; E898-Q902 PolarHBondContact O-NE2 2.83Å; R899-Q902 WeakPolarHBondContact O-CB 3.48Å; R899-Q902 PolarHBondContact O-N 2.81Å; R899-Q902 VanDerWaalsContact O-N 3.11Å; Q902-C904 VanDerWaalsContact C-N 3.3Å; Q902-C904 PolarHBondContact O-N 2.93Å; Q902-C905 WeakPolarHBondContact O-CB 3.42Å; Q902-C905 PolarHBondContact O-N 3Å; Q902-E906 PolarHBondContact O-N 2.96Å
903	Q	95.3	Very high	92.9	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.028	18%	0.181	C	C	.	.	H	α-helix	trans	-56.7	-42.2	176.8	-67.7	169.1	-0.9	0	0	112.2	L427 L430 S432 R899 E906 N907	L427-Q903 HydrophobicContact CD1-CG 4.38Å; L430-Q903 HydrophobicContact CD1-CB 3.85Å; L430-Q903 HydrophobicContact CD1-CG 3.97Å; S432-Q903 WeakPolarHBondContact O-CG 3.38Å; S432-Q903 PolarHBondContact O-NE2 2.87Å; S432-Q903 VanDerWaalsContact OG-CA 3.3Å; S432-Q903 WeakPolarHBondContact OG-CA 3.41Å; S432-Q903 VanDerWaalsContact OG-CG 3.31Å; S432-Q903 WeakPolarHBondContact OG-CG 3.48Å; S432-Q903 PolarHBondContact OG-N 3.12Å; R899-Q903 WeakPolarHBondContact O-CG 3.19Å; R899-Q903 PolarHBondContact O-N 2.82Å; Q903-E906 PolarHBondContact O-N 2.85Å; Q903-N907 WeakPolarHBondContact O-CB 3.49Å; Q903-N907 PolarHBondContact O-N 3.03Å
904	C	96.1	Very high	93.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-61.8	-45.3	173.9	-73.3	0	0	0	0	112.3	V873 T900 Q902 E906 N907 I908	V873-C904 HydrophobicContact CG2-CB 3.61Å; T900-C904 WeakPolarHBondContact O-CB 3.37Å; T900-C904 PolarHBondContact O-N 2.98Å; T900-C904 PolarHBondContact O-SG 2.87Å; Q902-C904 VanDerWaalsContact C-N 3.3Å; Q902-C904 PolarHBondContact O-N 2.93Å; C904-E906 VanDerWaalsContact C-N 3.33Å; C904-E906 PolarHBondContact O-N 2.98Å; C904-N907 PolarHBondContact O-N 2.75Å; C904-I908 WeakPolarHBondContact O-CD1 3.37Å; C904-I908 WeakPolarHBondContact O-CG1 3.37Å; C904-I908 PolarHBondContact O-N 3.03Å; C904-I908 VanDerWaalsContact O-N 3.08Å
905	C	96.9	Very high	93.7	Very high	17 Å²	17	28.7 Å²	28.7	12%	0.115	16%	0.158	C	C	.	.	H	α-helix	trans	-63.2	-40.1	177.6	-67	0	0	0	0	111.8	A882 V901 Q902 I908 L909	A882-C905 HydrophobicContact CB-CB 4.42Å; V901-C905 PolarHBondContact O-N 3.31Å; V901-C905 PolarHBondContact O-SG 3.35Å; Q902-C905 WeakPolarHBondContact O-CB 3.42Å; Q902-C905 PolarHBondContact O-N 3Å; C905-I908 PolarHBondContact O-N 3.12Å; C905-L909 WeakPolarHBondContact O-CG 3.39Å; C905-L909 PolarHBondContact O-N 2.84Å
906	E	96.8	Very high	94.3	Very high	35 Å²	35	35.3 Å²	35.3	16%	0.164	18%	0.182	C	C	.	.	H	α-helix	trans	-63.3	-50.9	176.3	-166.6	-177.6	152.9	0	0	111.3	L430 D431 S432 Q902 Q903 C904 I908 L909 L910	L430-E906 VanDerWaalsContact CA-OE1 3.29Å; L430-E906 WeakPolarHBondContact CA-OE1 3.46Å; L430-E906 HydrophobicContact CD2-CG 4.37Å; D431-E906 PolarHBondContact N-OE1 3.32Å; D431-E906 PolarHBondContact N-OE2 3.17Å; S432-E906 WeakPolarHBondContact CB-OE2 3.37Å; S432-E906 PolarHBondContact N-OE2 3.43Å; S432-E906 PolarHBondContact OG-OE2 3.37Å; Q902-E906 PolarHBondContact O-N 2.96Å; Q903-E906 PolarHBondContact O-N 2.85Å; C904-E906 VanDerWaalsContact C-N 3.33Å; C904-E906 PolarHBondContact O-N 2.98Å; E906-I908 VanDerWaalsContact C-N 3.3Å; E906-I908 PolarHBondContact O-N 3.15Å; E906-L909 PolarHBondContact O-N 3.34Å; E906-L909 VanDerWaalsContact O-N 3.08Å; E906-L910 HydrophobicContact CG-CD1 4.08Å; E906-L910 HydrophobicContact CG-CG 4.46Å; E906-L910 WeakPolarHBondContact O-CG 3.49Å; E906-L910 PolarHBondContact O-N 3.3Å
907	N	96.6	Very high	95.1	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.053	20%	0.196	C	C	.	.	H	α-helix	trans	-56.8	-40.6	176.8	-89.9	-30.8	0	0	0	112.8	R644 D874 Q903 C904 L909 L910 N911	R644-N907 PolarHBondContact NH2-OD1 3.01Å; D874-N907 WeakPolarHBondContact OD1-CB 3.49Å; D874-N907 PolarHBondContact OD1-ND2 2.7Å; Q903-N907 WeakPolarHBondContact O-CB 3.49Å; Q903-N907 PolarHBondContact O-N 3.03Å; C904-N907 PolarHBondContact O-N 2.75Å; N907-L909 VanDerWaalsContact C-N 3.31Å; N907-L909 PolarHBondContact O-N 3.14Å; N907-L910 PolarHBondContact O-N 3.46Å; N907-N911 VanDerWaalsContact O-CB 3.3Å; N907-N911 WeakPolarHBondContact O-CB 3.42Å; N907-N911 PolarHBondContact O-N 2.64Å; N907-N911 PolarHBondContact O-ND2 2.8Å; N907-N911 VanDerWaalsContact O-ND2 3.13Å; N907-N911 PolarHBondContact O-OD1 2.95Å
908	I	96.8	Very high	95.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-37.6	178	-66.7	168	0	0	0	111.8	V873 F876 I878 M881 A882 V885 C904 C905 E906 A912	V873-I908 HydrophobicContact CB-CD1 4.37Å; V873-I908 WeakPolarHBondContact O-CD1 3.46Å; F876-I908 HydrophobicContact CB-CD1 4.15Å; F876-I908 HydrophobicContact CB-CG1 3.96Å; F876-I908 HydrophobicContact CB-CG2 4.04Å; F876-I908 HydrophobicContact CD2-CD1 4.29Å; I878-I908 WeakPolarHBondContact O-CG2 3.42Å; M881-I908 HydrophobicContact CB-CG2 4.12Å; A882-I908 HydrophobicContact CB-CB 4.2Å; A882-I908 HydrophobicContact CB-CG2 3.97Å; V885-I908 HydrophobicContact CG2-CD1 4.33Å; C904-I908 WeakPolarHBondContact O-CD1 3.37Å; C904-I908 WeakPolarHBondContact O-CG1 3.37Å; C904-I908 PolarHBondContact O-N 3.03Å; C904-I908 VanDerWaalsContact O-N 3.08Å; C905-I908 PolarHBondContact O-N 3.12Å; E906-I908 VanDerWaalsContact C-N 3.3Å; E906-I908 PolarHBondContact O-N 3.15Å; I908-A912 WeakPolarHBondContact O-CB 3.48Å; I908-A912 PolarHBondContact O-N 2.75Å
909	L	97.1	Very high	95.8	Very high	85 Å²	85	37.3 Å²	37.3	45%	0.445	19%	0.187	S	C	.	.	H	α-helix	trans	-72.9	-42.4	176.7	-67.7	168.6	0	0	0	111.8	D879 A882 C905 E906 N907 N911 A912 A913	D879-L909 HydrophobicContact CB-CD2 4.16Å; A882-L909 HydrophobicContact CB-CD1 4.45Å; A882-L909 HydrophobicContact CB-CD2 4.12Å; A882-L909 HydrophobicContact CB-CG 3.95Å; C905-L909 WeakPolarHBondContact O-CG 3.39Å; C905-L909 PolarHBondContact O-N 2.84Å; E906-L909 PolarHBondContact O-N 3.34Å; E906-L909 VanDerWaalsContact O-N 3.08Å; N907-L909 VanDerWaalsContact C-N 3.31Å; N907-L909 PolarHBondContact O-N 3.14Å; L909-N911 VanDerWaalsContact C-N 3.34Å; L909-N911 PolarHBondContact O-N 2.89Å; L909-A912 PolarHBondContact O-N 2.86Å; L909-A913 WeakPolarHBondContact O-CB 3.47Å; L909-A913 PolarHBondContact O-N 2.6Å
910	L	96.7	Very high	96.2	Very high	24 Å²	24	41.6 Å²	41.6	13%	0.126	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-44.4	173.8	-68.9	169.3	0	0	0	111.4	L430 A545 E906 N907 A913 W914	L430-L910 HydrophobicContact CD2-CD1 3.67Å; A545-L910 HydrophobicContact CB-CD1 3.63Å; A545-L910 HydrophobicContact CB-CD2 4.43Å; E906-L910 HydrophobicContact CG-CD1 4.08Å; E906-L910 HydrophobicContact CG-CG 4.46Å; E906-L910 WeakPolarHBondContact O-CG 3.49Å; E906-L910 PolarHBondContact O-N 3.3Å; N907-L910 PolarHBondContact O-N 3.46Å; L910-A913 PolarHBondContact O-N 2.97Å; L910-W914 WeakPolarHBondContact O-CB 3.35Å; L910-W914 PolarHBondContact O-N 2.82Å
911	N	96.6	Very high	96.4	Very high	14 Å²	14	45.2 Å²	45.2	8%	0.075	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-41	176.5	-64.1	-18.8	0	0	0	111.5	R644 L682 D874 F876 A877 N907 L909 L915	R644-N911 PolarHBondContact NH2-OD1 2.96Å; L682-N911 HydrophobicContact CD1-CB 4.04Å; L682-N911 WeakPolarHBondContact CD1-O 3.35Å; D874-N911 PolarHBondContact O-ND2 2.89Å; F876-N911 WeakPolarHBondContact O-CB 3.34Å; F876-N911 PolarHBondContact O-ND2 3.14Å; F876-N911 VanDerWaalsContact O-ND2 3.16Å; A877-N911 HydrophobicContact CB-CB 3.77Å; N907-N911 VanDerWaalsContact O-CB 3.3Å; N907-N911 WeakPolarHBondContact O-CB 3.42Å; N907-N911 PolarHBondContact O-N 2.64Å; N907-N911 PolarHBondContact O-ND2 2.8Å; N907-N911 VanDerWaalsContact O-ND2 3.13Å; N907-N911 PolarHBondContact O-OD1 2.95Å; L909-N911 VanDerWaalsContact C-N 3.34Å; L909-N911 PolarHBondContact O-N 2.89Å; N911-L915 WeakPolarHBondContact O-CB 3.44Å; N911-L915 PolarHBondContact O-N 2.95Å
912	A	96.7	Very high	96.6	Very high	8 Å²	8	44.7 Å²	44.7	7%	0.066	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-41.5	175.8	0	0	0	0	0	112.3	D879 I908 L909 K916	D879-A912 WeakPolarHBondContact OD1-CB 3.22Å; I908-A912 WeakPolarHBondContact O-CB 3.48Å; I908-A912 PolarHBondContact O-N 2.75Å; L909-A912 PolarHBondContact O-N 2.86Å; A912-K916 VanDerWaalsContact O-CB 3.27Å; A912-K916 WeakPolarHBondContact O-CB 3.47Å; A912-K916 PolarHBondContact O-N 3.19Å
913	A	96.8	Very high	96.7	Very high	55 Å²	55	41.9 Å²	41.9	46%	0.455	22%	0.215	S	C	.	.	H	α-helix	trans	-64.2	-45.7	175.9	0	0	0	0	0	112	L909 L910 K916 R917	L909-A913 WeakPolarHBondContact O-CB 3.47Å; L909-A913 PolarHBondContact O-N 2.6Å; L910-A913 PolarHBondContact O-N 2.97Å; A913-K916 PolarHBondContact O-N 2.99Å; A913-R917 VanDerWaalsContact O-CB 3.31Å; A913-R917 WeakPolarHBondContact O-CB 3.47Å; A913-R917 PolarHBondContact O-N 2.81Å
914	W	96.9	Very high	96.7	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-49	176.7	-176	13.6	0	0	0	111.8	F640 R644 T650 V678 L679 L682 L910 K916 R917 D918	F640-W914 HydrophobicContact CE1-CH2 4.28Å; F640-W914 AromaticContact CE2-CH2 3.99Å; F640-W914 HydrophobicContact CE2-CH2 3.99Å; F640-W914 AromaticContact CZ-CH2 3.67Å; F640-W914 HydrophobicContact CZ-CH2 3.67Å; F640-W914 HydrophobicContact CZ-CZ3 4.48Å; R644-W914 HydrophobicContact CB-CD2 4.4Å; R644-W914 HydrophobicContact CB-CE3 4.18Å; R644-W914 HydrophobicContact CB-CH2 4.06Å; R644-W914 HydrophobicContact CB-CZ2 4.3Å; R644-W914 HydrophobicContact CB-CZ3 4.01Å; R644-W914 HydrophobicContact CG-CD2 4.23Å; R644-W914 HydrophobicContact CG-CE3 3.69Å; R644-W914 HydrophobicContact CG-CH2 4.31Å; R644-W914 HydrophobicContact CG-CZ3 3.74Å; T650-W914 HydrophobicContact CG2-CZ2 4.41Å; T650-W914 PolarHBondContact OG1-NE1 2.78Å; V678-W914 HydrophobicContact CG1-CH2 4.36Å; V678-W914 HydrophobicContact CG1-CZ3 3.89Å; L679-W914 HydrophobicContact CD2-CH2 3.86Å; L679-W914 HydrophobicContact CD2-CZ2 3.61Å; L679-W914 HydrophobicContact CG-CH2 4.47Å; L682-W914 HydrophobicContact CD1-CE3 4.44Å; L682-W914 HydrophobicContact CD2-CD2 3.6Å; L682-W914 HydrophobicContact CD2-CE3 3.69Å; L682-W914 HydrophobicContact CD2-CG 3.99Å; L682-W914 HydrophobicContact CD2-CZ3 4.22Å; L910-W914 WeakPolarHBondContact O-CB 3.35Å; L910-W914 PolarHBondContact O-N 2.82Å; W914-K916 VanDerWaalsContact C-N 3.32Å; W914-K916 PolarHBondContact O-N 2.9Å; W914-R917 PolarHBondContact O-N 2.83Å; W914-R917 VanDerWaalsContact O-N 3.1Å; W914-D918 PolarHBondContact O-N 3.15Å
915	L	96.2	Very high	96.7	Very high	26 Å²	26	47.2 Å²	47.2	14%	0.136	24%	0.239	C	C	.	.	H	α-helix	trans	-59.1	-43.8	177.7	-179.3	66.7	0	0	0	111.6	L682 L683 H685 T686 A877 N911 R917 A919	L682-L915 HydrophobicContact CD1-CB 4.01Å; L682-L915 HydrophobicContact CG-CB 4.21Å; L682-L915 HydrophobicContact CG-CD1 4.18Å; L683-L915 HydrophobicContact CD2-CD1 4.24Å; H685-L915 HydrophobicContact CB-CD2 3.6Å; T686-L915 HydrophobicContact CG2-CD1 3.72Å; A877-L915 HydrophobicContact CB-CD2 4.41Å; N911-L915 WeakPolarHBondContact O-CB 3.44Å; N911-L915 PolarHBondContact O-N 2.95Å; L915-R917 PolarHBondContact O-N 2.83Å; L915-A919 HydrophobicContact CD1-CB 4.13Å; L915-A919 WeakPolarHBondContact O-CB 3.26Å; L915-A919 PolarHBondContact O-N 2.99Å
916	K	96.3	Very high	96.7	Very high	192 Å²	192	47.2 Å²	47.2	84%	0.835	24%	0.238	S	C	*	.	H	α-helix	trans	-65	-26.2	177.8	-179.7	-178.7	174.2	-172.5	0	113.3	A912 A913 W914	A912-K916 VanDerWaalsContact O-CB 3.27Å; A912-K916 WeakPolarHBondContact O-CB 3.47Å; A912-K916 PolarHBondContact O-N 3.19Å; A913-K916 PolarHBondContact O-N 2.99Å; W914-K916 VanDerWaalsContact C-N 3.32Å; W914-K916 PolarHBondContact O-N 2.9Å
917	R	96.7	Very high	96.5	Very high	103 Å²	103	50.2 Å²	50.2	39%	0.389	26%	0.255	S	S	.	.	H	α-helix	trans	-87.6	-43.8	-175	-166.2	-170.1	70.3	-134.8	-7.9	112.4	S643 R644 G646 A913 W914 L915	S643-R917 PolarHBondContact O-NH2 2.9Å; R644-R917 PolarHBondContact O-NH1 3.1Å; G646-R917 VanDerWaalsContact CA-CZ 3.41Å; A913-R917 VanDerWaalsContact O-CB 3.31Å; A913-R917 WeakPolarHBondContact O-CB 3.47Å; A913-R917 PolarHBondContact O-N 2.81Å; W914-R917 PolarHBondContact O-N 2.83Å; W914-R917 VanDerWaalsContact O-N 3.1Å; L915-R917 PolarHBondContact O-N 2.83Å
918	D	97.3	Very high	96.3	Very high	11 Å²	11	56.4 Å²	56.4	6%	0.059	28%	0.283	C	S	.	.	H	α-helix	trans	-112.9	-9.5	-166	-69.5	20.9	0	0	0	115	T650 W914 D920 D921 I922	T650-D918 VanDerWaalsContact CB-OD2 3.28Å; T650-D918 WeakPolarHBondContact CB-OD2 3.29Å; T650-D918 PolarHBondContact N-OD2 3.39Å; T650-D918 PolarHBondContact OG1-OD2 2.96Å; W914-D918 PolarHBondContact O-N 3.15Å; D918-D920 PolarHBondContact O-N 2.86Å; D918-D921 PolarHBondContact O-N 3.47Å; D918-I922 HydrophobicContact CB-CD1 3.76Å; D918-I922 HydrophobicContact CB-CG1 4.27Å; D918-I922 WeakPolarHBondContact O-CB 3.43Å; D918-I922 WeakPolarHBondContact O-CD1 3.45Å; D918-I922 VanDerWaalsContact O-CG1 3.24Å; D918-I922 WeakPolarHBondContact O-CG1 3.49Å; D918-I922 PolarHBondContact O-N 3.39Å
919	A	96.2	Very high	96	Very high	14 Å²	14	58.4 Å²	58.4	12%	0.116	29%	0.291	C	S	.	.	H	α-helix	trans	-56	-44.5	-171.5	0	0	0	0	0	114.1	T686 F688 L915 H923	T686-A919 HydrophobicContact CG2-CB 4.48Å; F688-A919 HydrophobicContact CZ-CB 4.08Å; F688-A919 WeakPolarHBondContact CZ-O 3.17Å; L915-A919 HydrophobicContact CD1-CB 4.13Å; L915-A919 WeakPolarHBondContact O-CB 3.26Å; L915-A919 PolarHBondContact O-N 2.99Å; A919-H923 WeakPolarHBondContact O-CB 3.37Å; A919-H923 PolarHBondContact O-N 3.26Å
920	D	96.8	Very high	95.1	Very high	127 Å²	127	63.1 Å²	63.1	68%	0.679	31%	0.308	S	S	*	.	H	α-helix	trans	-68.8	-41.8	-177.4	-70	-24.4	0	0	0	111.9	D918 H923 Q924	D918-D920 PolarHBondContact O-N 2.86Å; D920-H923 PolarHBondContact O-N 3.5Å; D920-Q924 WeakPolarHBondContact O-CG 3.28Å; D920-Q924 PolarHBondContact O-N 3.24Å
921	D	97.3	Very high	93.9	Very high	97 Å²	97	64.8 Å²	64.8	52%	0.519	32%	0.324	S	S	.	.	H	α-helix	trans	-65.9	-40.8	176.8	-81.6	-7.4	0	0	0	111.8	V651 D918 Q924 Y925	V651-D921 HydrophobicContact CG2-CB 4.07Å; V651-D921 WeakPolarHBondContact CG2-O 3.09Å; D918-D921 PolarHBondContact O-N 3.47Å; D921-Q924 PolarHBondContact O-N 3.36Å; D921-Y925 WeakPolarHBondContact O-CB 3.32Å; D921-Y925 PolarHBondContact O-N 2.93Å
922	I	97.3	Very high	92.4	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-60.9	-46.7	173.6	-67.1	163.6	0	0	0	110.2	T650 V651 L654 L683 F688 D918 Y925 L926	T650-I922 HydrophobicContact CG2-CD1 3.67Å; T650-I922 HydrophobicContact CG2-CG1 3.98Å; V651-I922 HydrophobicContact CG2-CG1 4.43Å; L654-I922 HydrophobicContact CD1-CG2 4.1Å; L683-I922 HydrophobicContact CD1-CG2 3.9Å; F688-I922 HydrophobicContact CE2-CG2 4.37Å; D918-I922 HydrophobicContact CB-CD1 3.76Å; D918-I922 HydrophobicContact CB-CG1 4.27Å; D918-I922 WeakPolarHBondContact O-CB 3.43Å; D918-I922 WeakPolarHBondContact O-CD1 3.45Å; D918-I922 VanDerWaalsContact O-CG1 3.24Å; D918-I922 WeakPolarHBondContact O-CG1 3.49Å; D918-I922 PolarHBondContact O-N 3.39Å; I922-Y925 PolarHBondContact O-N 3.24Å; I922-L926 HydrophobicContact CG2-CD1 3.74Å; I922-L926 HydrophobicContact CG2-CG 4.22Å; I922-L926 WeakPolarHBondContact O-CB 3.14Å; I922-L926 VanDerWaalsContact O-CG 3.28Å; I922-L926 WeakPolarHBondContact O-CG 3.43Å; I922-L926 PolarHBondContact O-N 3.24Å
923	H	96.9	Very high	90.4	Very high	51 Å²	51	71.1 Å²	71.1	24%	0.236	37%	0.366	C	S	.	.	H	α-helix	trans	-60.8	-45.9	178.5	-174.6	-165	0	0	0	111.6	F688 A919 D920 Y925 L926 L927	F688-H923 HydrophobicContact CD1-CB 4.06Å; F688-H923 AromaticContact CD1-CG 3.74Å; F688-H923 AromaticContact CD1-ND1 3.74Å; F688-H923 HydrophobicContact CD2-CB 3.95Å; F688-H923 HydrophobicContact CE1-CB 3.87Å; F688-H923 HydrophobicContact CE2-CB 3.78Å; F688-H923 HydrophobicContact CG-CB 4.12Å; F688-H923 AromaticContact CG-CD2 3.75Å; F688-H923 AromaticContact CG-CG 3.77Å; F688-H923 HydrophobicContact CZ-CB 3.75Å; A919-H923 WeakPolarHBondContact O-CB 3.37Å; A919-H923 PolarHBondContact O-N 3.26Å; D920-H923 PolarHBondContact O-N 3.5Å; H923-Y925 PolarHBondContact O-N 2.86Å; H923-L926 PolarHBondContact O-N 2.77Å; H923-L927 WeakPolarHBondContact O-CG 3.38Å; H923-L927 PolarHBondContact O-N 3.41Å
924	Q	96.8	Very high	88.2	Confident	95 Å²	95	76 Å²	76	44%	0.444	39%	0.389	S	S	.	.	H	α-helix	trans	-61.8	-42.7	176.6	-72	-55.5	-46.8	0	0	112.5	D920 D921 L927 Q928	D920-Q924 WeakPolarHBondContact O-CG 3.28Å; D920-Q924 PolarHBondContact O-N 3.24Å; D921-Q924 PolarHBondContact O-N 3.36Å; Q924-L927 PolarHBondContact O-N 3.01Å; Q924-Q928 WeakPolarHBondContact O-CB 3.36Å; Q924-Q928 WeakPolarHBondContact O-CG 3.48Å; Q924-Q928 PolarHBondContact O-N 3.36Å; Q924-Q928 PolarHBondContact O-NE2 2.96Å
925	Y	96.2	Very high	87.8	Confident	25 Å²	25	79.7 Å²	79.7	10%	0.098	41%	0.409	C	S	.	.	H	α-helix	trans	-64.9	-43.5	175.4	165.5	-99.4	0	0	0	112.2	V651 L654 K655 E658 F695 D921 I922 H923 L927 Q928 R929	V651-Y925 HydrophobicContact CG1-CD1 4.46Å; V651-Y925 HydrophobicContact CG1-CD2 3.88Å; V651-Y925 HydrophobicContact CG1-CG 3.77Å; L654-Y925 HydrophobicContact CB-CD1 4.13Å; L654-Y925 HydrophobicContact CB-CE1 3.48Å; L654-Y925 VanDerWaalsContact CB-CE1 3.48Å; L654-Y925 HydrophobicContact CD1-CD1 3.76Å; L654-Y925 HydrophobicContact CD1-CE1 3.85Å; L654-Y925 HydrophobicContact CG-CE1 4.27Å; K655-Y925 HydrophobicContact CG-CD2 4.47Å; K655-Y925 HydrophobicContact CG-CE2 3.71Å; E658-Y925 PolarHBondContact OE1-OH 2.88Å; E658-Y925 PolarHBondContact OE2-OH 3.36Å; F695-Y925 HydrophobicContact CE2-CE1 4.22Å; D921-Y925 WeakPolarHBondContact O-CB 3.32Å; D921-Y925 PolarHBondContact O-N 2.93Å; I922-Y925 PolarHBondContact O-N 3.24Å; H923-Y925 PolarHBondContact O-N 2.86Å; Y925-L927 VanDerWaalsContact C-N 3.29Å; Y925-L927 PolarHBondContact O-N 2.95Å; Y925-Q928 PolarHBondContact O-N 3.02Å; Y925-Q928 VanDerWaalsContact O-N 3.12Å; Y925-R929 HydrophobicContact CE2-CB 4.14Å; Y925-R929 WeakPolarHBondContact O-CB 3.34Å; Y925-R929 WeakPolarHBondContact O-CG 3.18Å; Y925-R929 PolarHBondContact O-N 3.23Å
926	L	95.2	Very high	87.4	Confident	16 Å²	16	82.5 Å²	82.5	8%	0.084	42%	0.423	C	S	.	.	H	α-helix	trans	-63.1	-33	178.7	-72.3	174.1	0	0	0	112.9	E691 I692 F695 I922 H923 R929	E691-L926 HydrophobicContact CB-CB 4.24Å; E691-L926 HydrophobicContact CB-CD1 4.16Å; I692-L926 HydrophobicContact CB-CD1 4.17Å; F695-L926 HydrophobicContact CB-CD2 3.86Å; F695-L926 HydrophobicContact CD2-CD2 4.04Å; F695-L926 HydrophobicContact CG-CD2 4.24Å; I922-L926 HydrophobicContact CG2-CD1 3.74Å; I922-L926 HydrophobicContact CG2-CG 4.22Å; I922-L926 WeakPolarHBondContact O-CB 3.14Å; I922-L926 VanDerWaalsContact O-CG 3.28Å; I922-L926 WeakPolarHBondContact O-CG 3.43Å; I922-L926 PolarHBondContact O-N 3.24Å; H923-L926 PolarHBondContact O-N 2.77Å; L926-R929 WeakPolarHBondContact O-CG 3.28Å
927	L	93.5	Very high	86.9	Confident	99 Å²	99	76.4 Å²	76.4	52%	0.518	40%	0.4	S	S	.	.	H	α-helix	trans	-75.2	-25.2	173.5	-71.7	177.9	0	0	0	114.2	H923 Q924 Y925	H923-L927 WeakPolarHBondContact O-CG 3.38Å; H923-L927 PolarHBondContact O-N 3.41Å; Q924-L927 PolarHBondContact O-N 3.01Å; Y925-L927 VanDerWaalsContact C-N 3.29Å; Y925-L927 PolarHBondContact O-N 2.95Å
928	Q	92.2	Very high	86.3	Confident	139 Å²	139	74.9 Å²	74.9	65%	0.65	40%	0.401	S	S	*	.	H	α-helix	trans	-103.5	-20.1	-171.8	-68.2	175.2	36.7	0	0	114.1	Q924 Y925	Q924-Q928 WeakPolarHBondContact O-CB 3.36Å; Q924-Q928 WeakPolarHBondContact O-CG 3.48Å; Q924-Q928 PolarHBondContact O-N 3.36Å; Q924-Q928 PolarHBondContact O-NE2 2.96Å; Y925-Q928 PolarHBondContact O-N 3.02Å; Y925-Q928 VanDerWaalsContact O-N 3.12Å
929	R	89.9	Confident	85.6	Confident	43 Å²	43	78.9 Å²	78.9	16%	0.162	42%	0.422	C	S	.	.			trans	-63.7	160.8	176.2	63.2	174.7	-72.6	-84.4	1.5	112	E658 D698 Y925 L926	E658-R929 IonicContact OE1-CZ 3.55Å; E658-R929 IonicContact OE1-NE 2.88Å; E658-R929 PolarHBondContact OE1-NE 2.86Å; E658-R929 IonicContact OE1-NH2 3.33Å; E658-R929 PolarHBondContact OE1-NH2 2.72Å; D698-R929 IonicContact OD2-CZ 3.4Å; D698-R929 VanDerWaalsContact OD2-CZ 3.26Å; D698-R929 IonicContact OD2-NH1 3.64Å; D698-R929 PolarHBondContact OD2-NH1 2.81Å; D698-R929 IonicContact OD2-NH2 3.53Å; D698-R929 PolarHBondContact OD2-NH2 3.26Å; Y925-R929 HydrophobicContact CE2-CB 4.14Å; Y925-R929 WeakPolarHBondContact O-CB 3.34Å; Y925-R929 WeakPolarHBondContact O-CG 3.18Å; Y925-R929 PolarHBondContact O-N 3.23Å; L926-R929 WeakPolarHBondContact O-CG 3.28Å
930	K	79.3	Confident	84.9	Confident	184 Å²	184	83.2 Å²	83.2	80%	0.8	44%	0.443	S	S	*	.			trans	-114.8	137	173.2	-64.7	176.7	-177.8	174.9	0	108
931	A	71.2	Confident	84	Confident	58 Å²	58	80.1 Å²	80.1	48%	0.479	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-55.2	142.8	171.8	0	0	0	0	0	110.4	D698	D698-A931 WeakPolarHBondContact OD2-CB 3.38Å
932	P	64.6	Low	83	Confident	27 Å²	27	78.8 Å²	78.8	18%	0.175	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-56.7	151.4	169.9	-22	33.5	0	0	0	111.2	V934	P932-V934 PolarHBondContact O-N 3.31Å
933	P	54.7	Low	81.8	Confident	129 Å²	129	85.2 Å²	85.2	84%	0.838	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-62.2	130.2	167.1	27.9	-33.1	0	0	0	109.6
934	V	51.5	Low	80.5	Confident	156 Å²	156	88.3 Å²	88.3	95%	0.945	47%	0.472	S	S	*	.			trans	-95.5	0	-178.9	-175.5	0	0	0	0	110.8	L705 P932	L705-V934 HydrophobicContact CD1-CG1 3.88Å; P932-V934 PolarHBondContact O-N 3.31Å

Retrieved 934 of 934 residues in 1709.3 ms (Link to these results)

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