A0A3Q0KMX0_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB (A0A5K4ENM8), UniProt , Accession A0A3Q0KMX0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,269 aa.

						>A0A3Q0KMX0_SCHMA|A0A3Q0KMX0
MTSNNPRRPILPKTRSTISVVDHKKPTPGVDSTPLTSTPSSSSSSFKTIAPKSNQDHTVIITPEVVKGNESNEDVVLYCDIESSSQDFNPLRNYRAIYANNVVPRSYLRVMHQRVLLPSHTIPRTPINTDILPSGPSSSGFNVDKKGSPRPVVKFLLRIGSALVRSQYEPAVGKEVTPHQLLLSNRRKRRRVDEEPTRLSTDKVNIETINISHLEWKPKMRHPRWEDIWNYCNHCRCPYVPTSALELLRHLERGHQKLININSTVIPKKTRLEKVDCNDCMLNAAELLGNKLISRFFIPLTVNIFDSSSNISPYTCFVCGQVNKSQRLLESHFQRMHPQLTPGRIEKSTVILCSICGFPTQTNLTRHSSHHLHSDISIHISCKSNPSIHNSAPWSGCDAHALACLMLYPTMYSRFGLPIHVAHFLYALIQRMLMARINQFGGWSSQSYTLRCCAAISAIYGELVDPGQCKPLIQSKMRILEHNNSLKSVFPKASIPSTVSFYNSTPTQIRTCNSKSAIPISLSTVLVSSSLPTQQYFASSSSSGVNLTNISSVCILPNSSSVTSVSDLASKSVTGSILPSILVSQPTTIPTVSVKYALPLESMPPVCVTINKQPNLFMHGNTQIPAATTSWPVLSSSNPTLLSFLSSNQSKISIQPKPVIPVSVGLASDNLLQQQSSLNNNRDNTIRVQLGLNGQVRQSLGSQPRSLPRVLPMLEVPCELCPSNIPTETNIQSFHVMSRHRVKGLRHIPAIPCRLCGQLFWTKAGVIRHQHVGCAFCGEKALCNSTYYLHEIIKHPQDFASRLKKGAYNCPQCCRVFSDMVSFIIHLQTVHFFTVPDEISNHLCKYDSTKNNQINFNNLPMSSKLTNLSTLYSSLCMSTIPVSYSLPDNITVYMKPEEIPCWKCSVCSTHFITINHLDLHMAQASHQYWCPVCPYACERAISLWKHYCSIHNKESEPNQIPATNKLYRIVKTQSVGTTNFSTSITATSTTLSSPSSSLSKITAAKIITSPLKRGNQRCAIGHLSQFHGCDLCPVFCLTVNDLNTHKKTAHANEMLKENSNNNNNNSKQPVVSNTSGFLTTISTSITTTTTTTTTAIITSALGNQPIRLTTTTSSPSSSSAKFINPHDGGVSGDIVCDVINSSTLTVSSHSNESRLSLNRSVKSITGEQLIFEKSLSTIAINNDDGNTETDVTMETNSSNNHQMIDQITIIDDNNDNNDTHDNRNEINKGLNTVEHDNVGNDEDEDVVCPMCEFHSKLRSDVMQHIMDCH
					

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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	33.6	Very low	30.6	Very low	249 Å²	249	166.2 Å²	166.2	100%	1.227	85%	0.853	S	S	*	*				0	154	0	-61.3	178.2	82.7	0	0	108.5
2	T	29.3	Very low	30.5	Very low	136 Å²	136	162.1 Å²	162.1	83%	0.834	85%	0.845	S	S	*	*			trans	-98.9	135.3	-172.9	39.3	0	0	0	0	112.4
3	S	32.6	Very low	30	Very low	107 Å²	107	165.4 Å²	165.4	75%	0.748	85%	0.849	S	S	*	*			trans	179.6	136.1	138.1	34.1	0	0	0	0	114.7
4	N	35.5	Very low	30	Very low	162 Å²	162	163.5 Å²	163.5	87%	0.866	85%	0.849	S	S	*	*			trans	67.6	113.6	140.6	-58.9	-8.5	0	0	0	122.8
5	N	28.7	Very low	29.8	Very low	163 Å²	163	168.2 Å²	168.2	87%	0.872	85%	0.851	S	S	*	*			trans	-63.6	171.6	172	-101.5	-44.8	0	0	0	115.7
6	P	34.6	Very low	29.6	Very low	102 Å²	102	164.8 Å²	164.8	66%	0.662	85%	0.847	S	S	*	*			trans	-97.9	159	-175.2	38.3	-35.8	0	0	0	115.1
7	R	25.7	Very low	29.5	Very low	241 Å²	241	162.9 Å²	162.9	91%	0.909	85%	0.846	S	S	*	*			trans	167.4	161	133.1	-96.1	168.5	175.1	-169.3	-0.4	113.8
8	R	22.4	Very low	29.2	Very low	240 Å²	240	162.8 Å²	162.8	91%	0.906	85%	0.845	S	S	*	*			trans	70.9	158.1	163.9	-79.7	-176.5	171.2	-171	-1.8	118.1
9	P	37.8	Very low	29.1	Very low	107 Å²	107	159.5 Å²	159.5	70%	0.695	84%	0.837	S	S	*	*			cis	-128.5	167.9	-25.1	35.3	-19.1	0	0	0	114
10	I	26.6	Very low	28.9	Very low	168 Å²	168	157.9 Å²	157.9	86%	0.862	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-81	129.3	171.5	-61.7	168.7	0	0	0	109.1
11	L	29.4	Very low	28.8	Very low	153 Å²	153	155.5 Å²	155.5	80%	0.801	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-83.6	146.4	174.9	-112	99.1	0	0	0	112.7
12	P	29.4	Very low	28.6	Very low	117 Å²	117	150.3 Å²	150.3	76%	0.76	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-79.9	160.6	-177.5	-12.3	30.2	0	0	0	114.4	T14	P12-T14 PolarHBondContact O-N 3.18Å
13	K	25.1	Very low	28.4	Very low	205 Å²	205	152.6 Å²	152.6	89%	0.891	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-73.7	122.1	175.9	-65.7	170.6	-179.9	170.8	0	111.3
14	T	30	Very low	28.2	Very low	139 Å²	139	156.9 Å²	156.9	85%	0.853	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-69.8	133	167	41.5	0	0	0	0	110.9	P12	P12-T14 PolarHBondContact O-N 3.18Å
15	R	25.8	Very low	27.7	Very low	234 Å²	234	158.5 Å²	158.5	88%	0.883	81%	0.808	S	S	*	*			trans	-100.2	110.2	169.9	-78	-179.5	169.8	176.9	-3.7	108.8	T17	R15-T17 PolarHBondContact O-N 3.2Å
16	S	26.9	Very low	27.4	Very low	113 Å²	113	156.5 Å²	156.5	79%	0.79	80%	0.803	S	S	*	*			trans	-91	83.4	173.3	42	0	0	0	0	111.1	I18	S16-I18 PolarHBondContact O-N 3.04Å
17	T	27.9	Very low	27.2	Very low	134 Å²	134	158.1 Å²	158.1	82%	0.822	81%	0.812	S	S	*	*			trans	-75.5	107.6	165.5	41.6	0	0	0	0	109.6	R15	R15-T17 PolarHBondContact O-N 3.2Å
18	I	24.4	Very low	27.2	Very low	161 Å²	161	152.9 Å²	152.9	83%	0.826	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-82.1	124.2	170.1	-67.2	174.5	0	0	0	108	S16	S16-I18 PolarHBondContact O-N 3.04Å
19	S	27.1	Very low	27.4	Very low	100 Å²	100	144.9 Å²	144.9	70%	0.699	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-76.6	136.2	179.8	42.7	0	0	0	0	112
20	V	25.3	Very low	26.9	Very low	126 Å²	126	145.6 Å²	145.6	76%	0.764	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-83.6	138.6	158.9	178	0	0	0	0	107.6
21	V	26.7	Very low	26.8	Very low	109 Å²	109	144.6 Å²	144.6	66%	0.661	80%	0.8	S	S	*	*			trans	-95.9	97.3	-177	179.4	0	0	0	0	109.4
22	D	28.5	Very low	26.7	Very low	140 Å²	140	142 Å²	142	75%	0.749	79%	0.794	S	S	*	*			trans	-82.2	114.3	171.3	-81.9	-36.6	0	0	0	110.9	K24	D22-K24 PolarHBondContact O-N 3.1Å
23	H	25.8	Very low	26.6	Very low	183 Å²	183	142.9 Å²	142.9	85%	0.847	80%	0.798	S	S	*	*			trans	-74.7	83.1	174	-78	-81.2	0	0	0	111.7
24	K	29	Very low	26.7	Very low	197 Å²	197	138.5 Å²	138.5	86%	0.857	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-81.6	127.6	166.1	-81.7	-171.5	172.7	-177.8	0	111.6	D22	D22-K24 PolarHBondContact O-N 3.1Å
25	K	25	Very low	26.6	Very low	196 Å²	196	140.3 Å²	140.3	85%	0.852	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-78.7	138.5	174.5	-158	173.6	-174.9	-178.2	0	109.2
26	P	23.1	Very low	26.5	Very low	121 Å²	121	135.1 Å²	135.1	79%	0.786	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-80.9	150.5	-170	31.4	-36.3	0	0	0	113.8
27	T	29.9	Very low	26.6	Very low	137 Å²	137	135.5 Å²	135.5	84%	0.84	79%	0.791	S	S	*	*			trans	-135.9	123	161.5	1.8	0	0	0	0	107.9
28	P	24.7	Very low	26.5	Very low	130 Å²	130	135.4 Å²	135.4	84%	0.844	79%	0.79	S	S	*	*			trans	-86.2	149.2	178.9	34.4	-33.7	0	0	0	111.5
29	G	26.2	Very low	27.1	Very low	72 Å²	72	133.7 Å²	133.7	74%	0.742	79%	0.79	S	S	*	*			trans	179.4	88.9	177.9	0	0	0	0	0	115.2
30	V	28.6	Very low	27	Very low	123 Å²	123	134.3 Å²	134.3	75%	0.745	79%	0.794	S	S	*	*			trans	49.9	95.6	148.9	-167.3	0	0	0	0	118.2
31	D	24.9	Very low	27	Very low	147 Å²	147	132.7 Å²	132.7	79%	0.786	79%	0.788	S	S	*	*				38.6	160.1	115	-51.2	-55	0	0	0	123.3
32	S	27.3	Very low	26.8	Very low	97 Å²	97	132.8 Å²	132.8	68%	0.678	79%	0.794	S	S	*	*			trans	104.1	72.9	157.1	-45.2	0	0	0	0	118.6
33	T	27.2	Very low	26.6	Very low	136 Å²	136	130.9 Å²	130.9	83%	0.834	79%	0.791	S	S	*	*			trans	66.2	139.1	132.9	51.9	0	0	0	0	122.2
34	P	26.4	Very low	26.4	Very low	114 Å²	114	127.2 Å²	127.2	74%	0.74	79%	0.787	S	S	*	*			trans	-95.4	156.4	177	38.5	-34	0	0	0	113.3
35	L	28.4	Very low	26.2	Very low	176 Å²	176	123.6 Å²	123.6	92%	0.921	79%	0.786	S	S	*	*			trans	-123.5	111.5	159.3	-88.3	171.3	0	0	0	111.5
36	T	23.7	Very low	25.9	Very low	126 Å²	126	123.7 Å²	123.7	77%	0.773	79%	0.787	S	S	*	*			trans	-68.6	135.7	173.9	43.7	0	0	0	0	112.4
37	S	29.5	Very low	26.1	Very low	120 Å²	120	127.3 Å²	127.3	84%	0.839	79%	0.79	S	S	*	*			trans	-142.4	141.5	142	52.1	0	0	0	0	109.5
38	T	25.5	Very low	25.6	Very low	133 Å²	133	127.2 Å²	127.2	82%	0.816	79%	0.79	S	S	*	*			trans	-127.5	164.3	-166.1	22.9	0	0	0	0	111.4
39	P	35.6	Very low	25.8	Very low	124 Å²	124	128 Å²	128	81%	0.805	79%	0.785	S	S	*	*			trans	-99.4	159.6	-145.8	37.3	-38.4	0	0	0	116.5
40	S	25.7	Very low	25.6	Very low	113 Å²	113	128.6 Å²	128.6	79%	0.79	78%	0.783	S	S	*	*			trans	-152.5	155.1	158.6	55.9	0	0	0	0	108
41	S	24.5	Very low	25.5	Very low	93 Å²	93	128.9 Å²	128.9	65%	0.65	79%	0.787	S	S	*	*			cis	-174.8	143	-21.6	47.3	0	0	0	0	108.4
42	S	24.3	Very low	25.6	Very low	111 Å²	111	131.8 Å²	131.8	78%	0.776	79%	0.793	S	S	*	*			trans	57.6	160.4	160.8	49.3	0	0	0	0	118.6
43	S	23.3	Very low	25.3	Very low	99 Å²	99	131.9 Å²	131.9	69%	0.692	79%	0.793	S	S	*	*			cis	-166.9	144.2	-27.5	50.6	0	0	0	0	109.5
44	S	21.2	Very low	25.1	Very low	107 Å²	107	132 Å²	132	75%	0.748	79%	0.789	S	S	*	*			trans	15.3	128	154.3	58.7	0	0	0	0	121.3
45	S	25	Very low	25.3	Very low	120 Å²	120	135.7 Å²	135.7	84%	0.839	80%	0.796	S	S	*	*				-177.9	165.3	111.1	45.5	0	0	0	0	112.7
46	F	18.9	Very low	25.1	Very low	199 Å²	199	133.8 Å²	133.8	87%	0.873	79%	0.787	S	S	*	*			trans	-82.8	143.5	-176.8	-80.1	-117.1	0	0	0	112.4
47	K	26.8	Very low	25.2	Very low	196 Å²	196	136.9 Å²	136.9	85%	0.852	79%	0.792	S	S	*	*			trans	-132.2	105.9	154	-96.3	-175	175.4	177.2	0	110.5
48	T	20.1	Very low	24.8	Very low	136 Å²	136	137.4 Å²	137.4	83%	0.834	79%	0.791	S	S	*	*			trans	-75.1	129.1	166.3	-53.2	0	0	0	0	108.7
49	I	27.8	Very low	24.8	Very low	147 Å²	147	137.7 Å²	137.7	75%	0.754	79%	0.792	S	S	*	*			trans	-122.3	133.4	173.5	-61.7	179.3	0	0	0	107.9
50	A	23.2	Very low	24.2	Very low	83 Å²	83	139 Å²	139	69%	0.686	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-76.6	154.8	-176.6	0	0	0	0	0	112.3
51	P	26.1	Very low	24	Very low	130 Å²	130	141 Å²	141	84%	0.844	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-72.7	145.4	-176.5	30	-35.5	0	0	0	112.8
52	K	26.2	Very low	24.1	Very low	207 Å²	207	142.6 Å²	142.6	90%	0.9	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-89.5	154.7	165.6	-70.9	-176.1	173.9	-175.6	0	110.5
53	S	22.4	Very low	24.1	Very low	99 Å²	99	143 Å²	143	69%	0.692	80%	0.797	S	S	*	*			trans	-124.8	173.6	173.6	69.6	0	0	0	0	111.4
54	N	22.9	Very low	24.1	Very low	139 Å²	139	147.1 Å²	147.1	74%	0.743	81%	0.805	S	S	*	*			trans	70.4	117.1	170.4	-47.7	9.7	0	0	0	115.8
55	Q	29.8	Very low	24.3	Very low	191 Å²	191	148 Å²	148	89%	0.893	81%	0.806	S	S	*	*				-167.9	162.6	100.2	-103.4	176.2	-18.1	0	0	111.3
56	D	24	Very low	24.5	Very low	136 Å²	136	148.6 Å²	148.6	73%	0.727	80%	0.804	S	S	*	*			trans	-101.5	144.7	-161.5	-48.8	-92	0	0	0	112.8
57	H	26.7	Very low	24.8	Very low	191 Å²	191	148.4 Å²	148.4	88%	0.884	80%	0.803	S	S	*	*			trans	-129.9	122.1	166.2	-74.1	-26	0	0	0	110.3
58	T	21.4	Very low	24.7	Very low	131 Å²	131	142.2 Å²	142.2	80%	0.804	80%	0.795	S	S	*	*			trans	-128.7	123.9	177	-43.6	0	0	0	0	107.2
59	V	25.1	Very low	24.9	Very low	139 Å²	139	142.9 Å²	142.9	84%	0.842	79%	0.793	S	S	*	*			trans	-129.8	145.8	177.9	-176.9	0	0	0	0	108.4
60	I	22.6	Very low	24.9	Very low	151 Å²	151	145.1 Å²	145.1	77%	0.774	80%	0.801	S	S	*	*			trans	-97.4	149.4	-156.7	-66.6	164.1	0	0	0	111.4
61	I	21.4	Very low	25	Very low	157 Å²	157	146.2 Å²	146.2	81%	0.805	80%	0.803	S	S	*	*			trans	-89.7	131	174.6	-59.8	167.7	0	0	0	109.3
62	T	26.2	Very low	25.1	Very low	125 Å²	125	147.4 Å²	147.4	77%	0.767	80%	0.803	S	S	*	*			trans	-123.2	115.5	171.3	47.4	0	0	0	0	110.4
63	P	24.2	Very low	25.1	Very low	121 Å²	121	147.4 Å²	147.4	79%	0.786	81%	0.806	S	S	*	*			trans	-88.9	140	172.5	34.5	-31	0	0	0	110.9
64	E	25	Very low	25.1	Very low	185 Å²	185	149.3 Å²	149.3	86%	0.864	81%	0.808	S	S	*	*			trans	-122.7	143.9	172.6	-168.2	159.9	-137.9	0	0	110.4
65	V	24.6	Very low	25.2	Very low	125 Å²	125	148.7 Å²	148.7	76%	0.758	81%	0.809	S	S	*	*			trans	-130.5	115.2	-169.5	176.7	0	0	0	0	109.1
66	V	29.3	Very low	24.8	Very low	133 Å²	133	146.1 Å²	146.1	81%	0.806	81%	0.806	S	S	*	*			trans	-119.2	142.2	174.5	-177.1	0	0	0	0	109.3
67	K	24.4	Very low	24.8	Very low	194 Å²	194	146.1 Å²	146.1	84%	0.843	81%	0.805	S	S	*	*			trans	-112.4	157.9	-176.5	-65.8	178	179.6	176.4	0	111.3
68	G	25	Very low	24.5	Very low	66 Å²	66	148 Å²	148	68%	0.68	81%	0.806	S	S	*	*			trans	111.2	151.6	168	0	0	0	0	0	111.3
69	N	24.1	Very low	24.5	Very low	151 Å²	151	146.9 Å²	146.9	81%	0.807	80%	0.803	S	S	*	*			cis	174.3	172.8	-15.6	-122.2	24.2	0	0	0	103.8
70	E	27.8	Very low	24.4	Very low	194 Å²	194	147.7 Å²	147.7	91%	0.907	80%	0.802	S	S	*	*			trans	71.6	143.4	171.6	-66.8	171.4	-163.2	0	0	116.5
71	S	26.4	Very low	24.5	Very low	106 Å²	106	148.4 Å²	148.4	74%	0.741	81%	0.806	S	S	*	*			trans	-115.5	131.5	-168.3	51.7	0	0	0	0	109.8
72	N	27.7	Very low	24.6	Very low	155 Å²	155	149.4 Å²	149.4	83%	0.829	81%	0.807	S	S	*	*			trans	-146.6	142.1	149.8	-89.6	-39.9	0	0	0	108.5	D74	N72-D74 PolarHBondContact O-N 2.9Å
73	E	25.6	Very low	24.6	Very low	207 Å²	207	149 Å²	149	97%	0.967	81%	0.809	S	S	*	*			trans	-80.8	90.4	172.9	-66.2	-170.6	154.5	0	0	108.8
74	D	23.3	Very low	24.7	Very low	138 Å²	138	148.8 Å²	148.8	74%	0.738	81%	0.81	S	S	*	*			trans	-122.2	142.2	177.7	-119.4	-43.1	0	0	0	112.5	N72 V76	N72-D74 PolarHBondContact O-N 2.9Å; D74-V76 PolarHBondContact O-N 3.24Å
75	V	24.1	Very low	25	Very low	127 Å²	127	144.9 Å²	144.9	77%	0.77	80%	0.804	S	S	*	*			trans	-78.3	95.2	-169.1	179.8	0	0	0	0	109.9	L77	V75-L77 PolarHBondContact O-N 3.1Å
76	V	23	Very low	25.2	Very low	137 Å²	137	147.8 Å²	147.8	83%	0.83	81%	0.809	S	S	*	*			trans	-65.9	117.6	176.8	-178.7	0	0	0	0	110.2	D74	D74-V76 PolarHBondContact O-N 3.24Å
77	L	22.3	Very low	25.4	Very low	135 Å²	135	148.3 Å²	148.3	71%	0.707	81%	0.807	S	S	*	*			trans	-57.3	153.3	176.8	-88.2	62.1	0	0	0	112.3	V75 C79	V75-L77 PolarHBondContact O-N 3.1Å; L77-C79 PolarHBondContact O-N 3.33Å; L77-C79 VanDerWaalsContact O-N 3.1Å
78	Y	20.4	Very low	25.4	Very low	232 Å²	232	148.4 Å²	148.4	91%	0.91	81%	0.808	S	S	*	*			trans	-59.8	110.9	155	-81.9	-105.8	0	0	0	108.9
79	C	22.8	Very low	25.8	Very low	107 Å²	107	149.9 Å²	149.9	72%	0.723	80%	0.801	S	S	*	*			trans	-103.2	123.9	161.2	-68.1	0	0	0	0	108.6	L77 I81	L77-C79 PolarHBondContact O-N 3.33Å; L77-C79 VanDerWaalsContact O-N 3.1Å; C79-I81 PolarHBondContact O-N 3.35Å; C79-I81 VanDerWaalsContact O-N 3.1Å
80	D	22.9	Very low	25.9	Very low	156 Å²	156	146.2 Å²	146.2	83%	0.834	79%	0.785	S	S	*	*			trans	-65.5	108.9	-179	-67.2	-65.8	0	0	0	111.1	E82	D80-E82 PolarHBondContact O-N 3.11Å
81	I	24.2	Very low	26.1	Very low	165 Å²	165	141.9 Å²	141.9	85%	0.846	77%	0.768	S	S	*	*			trans	-76.3	107.8	168.6	-62.3	178.4	0	0	0	107.5	C79 S83	C79-I81 PolarHBondContact O-N 3.35Å; C79-I81 VanDerWaalsContact O-N 3.1Å; I81-S83 PolarHBondContact O-N 2.86Å
82	E	24.3	Very low	26.3	Very low	179 Å²	179	147 Å²	147	84%	0.836	77%	0.771	S	S	*	*			trans	-54	131.6	-179.4	-65	-170.3	129.3	0	0	111.9	D80 S84	D80-E82 PolarHBondContact O-N 3.11Å; E82-S84 PolarHBondContact O-N 3.3Å
83	S	26.3	Very low	26.5	Very low	115 Å²	115	145.4 Å²	145.4	80%	0.804	76%	0.762	S	S	*	*			trans	-76.2	85.5	-174.3	46.5	0	0	0	0	111.8	I81 S85	I81-S83 PolarHBondContact O-N 2.86Å; S83-S85 PolarHBondContact O-N 2.85Å
84	S	25.8	Very low	26.7	Very low	117 Å²	117	142.6 Å²	142.6	82%	0.818	74%	0.744	S	S	*	*			trans	-57.9	98.3	169.7	55.7	0	0	0	0	110.7	E82 Q86	E82-S84 PolarHBondContact O-N 3.3Å; S84-Q86 VanDerWaalsContact C-N 3.27Å; S84-Q86 PolarHBondContact O-N 2.86Å
85	S	30.2	Very low	27.1	Very low	104 Å²	104	145.3 Å²	145.3	73%	0.727	74%	0.743	S	S	*	*			trans	-81	62.3	-161.8	47.3	0	0	0	0	113.6	S83 D87	S83-S85 PolarHBondContact O-N 2.85Å; S85-D87 PolarHBondContact O-N 3.38Å
86	Q	30	Very low	27.4	Very low	185 Å²	185	141.8 Å²	141.8	86%	0.864	73%	0.728	S	S	*	*			trans	-79.5	71.8	174.8	-148.7	165.9	51.1	0	0	110.8	S84 F88	S84-Q86 VanDerWaalsContact C-N 3.27Å; S84-Q86 PolarHBondContact O-N 2.86Å; Q86-F88 PolarHBondContact O-N 2.94Å
87	D	31.9	Very low	27.7	Very low	144 Å²	144	140 Å²	140	77%	0.77	71%	0.712	S	S	*	*			trans	-56.6	89.3	-173.8	-104.1	-24.8	0	0	0	113.3	S85 N89	S85-D87 PolarHBondContact O-N 3.38Å; D87-N89 VanDerWaalsContact C-N 3.25Å; D87-N89 PolarHBondContact O-N 3.25Å
88	F	26.2	Very low	27.9	Very low	197 Å²	197	141.2 Å²	141.2	86%	0.864	71%	0.709	S	S	*	*			trans	-75.3	74.3	-178.6	-152.8	-84.9	0	0	0	110.5	Q86 P90	Q86-F88 PolarHBondContact O-N 2.94Å; F88-P90 WeakPolarHBondContact O-CD 3.39Å
89	N	32.1	Very low	28.3	Very low	97 Å²	97	133.6 Å²	133.6	52%	0.519	69%	0.693	S	S	.	*			trans	-92	97.3	-167.6	-166.3	-34.2	0	0	0	112.7	D87 L91 R92	D87-N89 VanDerWaalsContact C-N 3.25Å; D87-N89 PolarHBondContact O-N 3.25Å; N89-L91 PolarHBondContact O-N 3.5Å; N89-L91 WeakPolarHBondContact OD1-CB 3.07Å; N89-L91 PolarHBondContact OD1-N 2.76Å; N89-R92 PolarHBondContact O-N 3.15Å
90	P	27.4	Very low	28.4	Very low	74 Å²	74	135 Å²	135	48%	0.481	69%	0.694	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.8	-16.9	-171.7	28.1	-37.7	0	0	0	114	F88 R92 N93 Y94	F88-P90 WeakPolarHBondContact O-CD 3.39Å; P90-R92 PolarHBondContact O-N 2.82Å; P90-R92 VanDerWaalsContact O-N 3.15Å; P90-N93 PolarHBondContact O-N 2.82Å; P90-Y94 HydrophobicContact CB-CD2 4.43Å; P90-Y94 HydrophobicContact CB-CE2 4.49Å; P90-Y94 WeakPolarHBondContact O-CD2 3.35Å; P90-Y94 PolarHBondContact O-N 2.91Å
91	L	30.8	Very low	28.5	Very low	103 Å²	103	133.4 Å²	133.4	54%	0.539	69%	0.685	S	S	.	*	H	α-helix	trans	-60.7	-23.5	178.3	-65.5	169.7	0	0	0	112.6	N89 R95	N89-L91 PolarHBondContact O-N 3.5Å; N89-L91 WeakPolarHBondContact OD1-CB 3.07Å; N89-L91 PolarHBondContact OD1-N 2.76Å; L91-R95 WeakPolarHBondContact O-CB 3.48Å; L91-R95 VanDerWaalsContact O-CG 3.25Å; L91-R95 WeakPolarHBondContact O-CG 3.43Å; L91-R95 PolarHBondContact O-N 2.78Å; L91-R95 VanDerWaalsContact O-N 3.12Å
92	R	31.9	Very low	28.7	Very low	214 Å²	214	131.6 Å²	131.6	81%	0.808	68%	0.681	S	S	*	*	H	α-helix	trans	-68	-45.3	176.6	-139.8	179.1	-167.1	-159.7	4.8	111.5	N89 P90 R95 A96	N89-R92 PolarHBondContact O-N 3.15Å; P90-R92 PolarHBondContact O-N 2.82Å; P90-R92 VanDerWaalsContact O-N 3.15Å; R92-R95 PolarHBondContact O-N 3.19Å; R92-A96 PolarHBondContact O-N 3.13Å
93	N	30.9	Very low	28.7	Very low	120 Å²	120	128.5 Å²	128.5	64%	0.642	68%	0.675	S	S	*	*	H	α-helix	trans	-70.2	-42.6	178	-75.9	-7.9	0	0	0	112.1	P90 R95 A96 I97	P90-N93 PolarHBondContact O-N 2.82Å; N93-R95 VanDerWaalsContact C-N 3.28Å; N93-R95 PolarHBondContact O-N 2.88Å; N93-A96 WeakPolarHBondContact O-CB 3.39Å; N93-A96 PolarHBondContact O-N 3.4Å; N93-A96 VanDerWaalsContact O-N 3.09Å; N93-I97 WeakPolarHBondContact O-CG1 3.46Å; N93-I97 PolarHBondContact O-N 3.49Å; N93-I97 VanDerWaalsContact O-N 3.08Å
94	Y	30.2	Very low	28.6	Very low	149 Å²	149	126.9 Å²	126.9	58%	0.584	66%	0.662	S	S	*	*	H	α-helix	trans	-60.5	-36.4	175.2	-81.5	-71.1	0	0	0	112.7	P90 Y98	P90-Y94 HydrophobicContact CB-CD2 4.43Å; P90-Y94 HydrophobicContact CB-CE2 4.49Å; P90-Y94 WeakPolarHBondContact O-CD2 3.35Å; P90-Y94 PolarHBondContact O-N 2.91Å; Y94-Y98 WeakPolarHBondContact O-CD2 3.47Å; Y94-Y98 PolarHBondContact O-N 3.46Å
95	R	30.4	Very low	28.6	Very low	195 Å²	195	131.9 Å²	131.9	74%	0.736	66%	0.663	S	S	*	*	H	α-helix	trans	-68.6	-31.2	174.5	-75.6	175.7	-179.4	-177.1	3.4	113.4	L91 R92 N93 A99	L91-R95 WeakPolarHBondContact O-CB 3.48Å; L91-R95 VanDerWaalsContact O-CG 3.25Å; L91-R95 WeakPolarHBondContact O-CG 3.43Å; L91-R95 PolarHBondContact O-N 2.78Å; L91-R95 VanDerWaalsContact O-N 3.12Å; R92-R95 PolarHBondContact O-N 3.19Å; N93-R95 VanDerWaalsContact C-N 3.28Å; N93-R95 PolarHBondContact O-N 2.88Å; R95-A99 PolarHBondContact O-N 3.05Å
96	A	30.4	Very low	28.4	Very low	53 Å²	53	131 Å²	131	44%	0.438	66%	0.657	S	S	.	*	H	α-helix	trans	-69.5	-44.3	174.8	0	0	0	0	0	112.2	R92 N93 Y98 A99	R92-A96 PolarHBondContact O-N 3.13Å; N93-A96 WeakPolarHBondContact O-CB 3.39Å; N93-A96 PolarHBondContact O-N 3.4Å; N93-A96 VanDerWaalsContact O-N 3.09Å; A96-Y98 VanDerWaalsContact C-N 3.33Å; A96-Y98 PolarHBondContact O-N 3.26Å; A96-A99 WeakPolarHBondContact O-CB 3.41Å; A96-A99 PolarHBondContact O-N 3.06Å
97	I	29.2	Very low	28.2	Very low	99 Å²	99	131.2 Å²	131.2	51%	0.508	65%	0.651	S	S	.	*	H	α-helix	trans	-60.2	-42.4	179.8	-65.1	164.7	0	0	0	111.2	N93 A99	N93-I97 WeakPolarHBondContact O-CG1 3.46Å; N93-I97 PolarHBondContact O-N 3.49Å; N93-I97 VanDerWaalsContact O-N 3.08Å; I97-A99 VanDerWaalsContact C-N 3.25Å; I97-A99 PolarHBondContact O-N 2.78Å
98	Y	27.8	Very low	27.9	Very low	161 Å²	161	131.3 Å²	131.3	63%	0.631	65%	0.65	S	S	*	*	H	α-helix	trans	-75.4	-4.6	176.8	-82.2	-74.7	0	0	0	115	Y94 A96	Y94-Y98 WeakPolarHBondContact O-CD2 3.47Å; Y94-Y98 PolarHBondContact O-N 3.46Å; A96-Y98 VanDerWaalsContact C-N 3.33Å; A96-Y98 PolarHBondContact O-N 3.26Å
99	A	29.3	Very low	27.8	Very low	71 Å²	71	133.5 Å²	133.5	59%	0.587	65%	0.653	S	S	*	*	H	α-helix	trans	-82.8	-33.2	176	0	0	0	0	0	113	R95 A96 I97	R95-A99 PolarHBondContact O-N 3.05Å; A96-A99 WeakPolarHBondContact O-CB 3.41Å; A96-A99 PolarHBondContact O-N 3.06Å; I97-A99 VanDerWaalsContact C-N 3.25Å; I97-A99 PolarHBondContact O-N 2.78Å
100	N	25	Very low	27.7	Very low	136 Å²	136	135.2 Å²	135.2	73%	0.727	67%	0.667	S	S	*	*	H	α-helix	trans	-97.5	-12.3	-167.8	-70.4	-6	0	0	0	114.9	V102	N100-V102 VanDerWaalsContact C-N 3.27Å; N100-V102 PolarHBondContact O-N 3.08Å
101	N	24.5	Very low	27.9	Very low	123 Å²	123	139.2 Å²	139.2	66%	0.658	68%	0.681	S	S	*	*			trans	-77.6	73.6	-178	-75.6	-14.4	0	0	0	112.4	V103	N101-V103 PolarHBondContact O-N 3.03Å
102	V	28.1	Very low	27.9	Very low	127 Å²	127	143.2 Å²	143.2	77%	0.77	70%	0.696	S	S	*	*			trans	-66.5	107.6	169.7	179.3	0	0	0	0	109.2	N100 P104	N100-V102 VanDerWaalsContact C-N 3.27Å; N100-V102 PolarHBondContact O-N 3.08Å; V102-P104 WeakPolarHBondContact O-CD 3.03Å
103	V	24.5	Very low	27.6	Very low	115 Å²	115	141 Å²	141	70%	0.697	70%	0.695	S	S	*	*			trans	-63	125	174.8	-179.5	0	0	0	0	109.6	N101 R105	N101-V103 PolarHBondContact O-N 3.03Å; V103-R105 PolarHBondContact O-N 3.37Å
104	P	24.1	Very low	27.3	Very low	81 Å²	81	147.4 Å²	147.4	53%	0.526	71%	0.71	S	S	.	*			trans	-59.3	135.6	-179.6	-27.4	36.3	0	0	0	113.1	V102 S106	V102-P104 WeakPolarHBondContact O-CD 3.03Å; P104-S106 PolarHBondContact O-N 3.09Å
105	R	25.8	Very low	27.2	Very low	222 Å²	222	146.4 Å²	146.4	84%	0.838	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-62.5	-11	-177.5	-75.5	-177.8	172	173.1	-2.1	115	V103 Y107 L108	V103-R105 PolarHBondContact O-N 3.37Å; R105-Y107 PolarHBondContact O-N 3.21Å; R105-L108 PolarHBondContact O-N 2.91Å
106	S	26.4	Very low	27.1	Very low	86 Å²	86	143.9 Å²	143.9	60%	0.601	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-57.4	-28.9	-179.8	43.8	0	0	0	0	113.7	P104 L108	P104-S106 PolarHBondContact O-N 3.09Å; S106-L108 VanDerWaalsContact C-N 3.29Å; S106-L108 PolarHBondContact O-N 3.32Å
107	Y	25.8	Very low	26.9	Very low	189 Å²	189	147 Å²	147	74%	0.741	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-80.2	1.5	-178.3	-66.5	-77.6	0	0	0	115.1	R105	R105-Y107 PolarHBondContact O-N 3.21Å
108	L	25.9	Very low	27	Very low	146 Å²	146	147.5 Å²	147.5	76%	0.764	74%	0.738	S	S	*	*			trans	-114.4	53.4	-178.4	-68	176	0	0	0	113.3	R105 S106 V110	R105-L108 PolarHBondContact O-N 2.91Å; S106-L108 VanDerWaalsContact C-N 3.29Å; S106-L108 PolarHBondContact O-N 3.32Å; L108-V110 PolarHBondContact O-N 3.12Å
109	R	22.9	Very low	26.9	Very low	242 Å²	242	144.3 Å²	144.3	91%	0.913	74%	0.739	S	S	*	*			trans	-87.2	89.1	163.2	-80.3	-168.4	174.3	-166.1	0.4	110.8
110	V	30.4	Very low	26.8	Very low	134 Å²	134	147.3 Å²	147.3	81%	0.812	74%	0.741	S	S	*	*			trans	-101.8	143.6	164	-178.3	0	0	0	0	109	L108 H112	L108-V110 PolarHBondContact O-N 3.12Å; V110-H112 PolarHBondContact O-N 3.44Å
111	M	32.1	Very low	26.7	Very low	158 Å²	158	146.3 Å²	146.3	78%	0.778	74%	0.74	S	S	*	*			trans	-72.7	122.2	-163.3	-60.5	-175.6	77	0	0	114.2	Q113	M111-Q113 PolarHBondContact O-N 3.18Å
112	H	30.5	Very low	26.7	Very low	186 Å²	186	147.9 Å²	147.9	86%	0.861	75%	0.747	S	S	*	*	S	Bend	trans	52.5	13.1	150	-66	109.4	0	0	0	120.3	V110	V110-H112 PolarHBondContact O-N 3.44Å
113	Q	25.3	Very low	26.5	Very low	169 Å²	169	146.7 Å²	146.7	79%	0.79	74%	0.742	S	S	*	*	S	Bend	trans	-114.9	149.6	167	-63.4	-162.6	10.8	0	0	111.7	M111 V115	M111-Q113 PolarHBondContact O-N 3.18Å; Q113-V115 PolarHBondContact O-N 3.15Å
114	R	24.7	Very low	26.4	Very low	253 Å²	253	152.9 Å²	152.9	96%	0.955	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-65.2	120	-162.1	-66.5	-178.5	-179.9	176.9	-0.7	111.9
115	V	29	Very low	26.4	Very low	128 Å²	128	154.5 Å²	154.5	78%	0.776	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-60.1	142.6	173.3	-176.6	0	0	0	0	110.1	Q113 L117	Q113-V115 PolarHBondContact O-N 3.15Å; V115-L117 PolarHBondContact O-N 3.49Å
116	L	26.3	Very low	26.4	Very low	143 Å²	143	149.7 Å²	149.7	75%	0.749	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-51.7	132.7	173	-75.6	162	0	0	0	111
117	L	27.1	Very low	26.3	Very low	119 Å²	119	152.4 Å²	152.4	62%	0.623	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-65.6	148.6	-179.5	-81.6	80.7	0	0	0	111.3	V115 S119 H120	V115-L117 PolarHBondContact O-N 3.49Å; L117-S119 PolarHBondContact O-N 2.66Å; L117-H120 PolarHBondContact O-N 3.13Å
118	P	31	Very low	26.3	Very low	109 Å²	109	148.1 Å²	148.1	71%	0.708	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-56.6	-18.1	-177.1	-27.8	35.8	0	0	0	116.1	H120 T121	P118-H120 VanDerWaalsContact C-N 3.26Å; P118-H120 PolarHBondContact O-N 3.29Å; P118-T121 PolarHBondContact O-OG1 2.76Å
119	S	26.2	Very low	26.3	Very low	93 Å²	93	146 Å²	146	65%	0.65	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-71.9	-8.9	179.1	48.3	0	0	0	0	115	L117 T121	L117-S119 PolarHBondContact O-N 2.66Å; S119-T121 VanDerWaalsContact C-N 3.26Å; S119-T121 PolarHBondContact O-N 2.8Å
120	H	26.3	Very low	26.6	Very low	134 Å²	134	140.8 Å²	140.8	62%	0.62	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-87.8	20.7	177.4	-72.4	-77.6	0	0	0	114.3	L117 P118 I122	L117-H120 PolarHBondContact O-N 3.13Å; P118-H120 VanDerWaalsContact C-N 3.26Å; P118-H120 PolarHBondContact O-N 3.29Å; H120-I122 PolarHBondContact O-N 3.11Å
121	T	24.3	Very low	26.4	Very low	116 Å²	116	141.2 Å²	141.2	71%	0.712	73%	0.734	S	S	*	*			trans	-65.5	99.1	165.1	32.9	0	0	0	0	110.5	P118 S119 P123	P118-T121 PolarHBondContact O-OG1 2.76Å; S119-T121 VanDerWaalsContact C-N 3.26Å; S119-T121 PolarHBondContact O-N 2.8Å; T121-P123 VanDerWaalsContact O-CD 3.25Å; T121-P123 WeakPolarHBondContact O-CD 3.44Å; T121-P123 VanDerWaalsContact O-N 3.16Å
122	I	24.6	Very low	26.1	Very low	155 Å²	155	140.7 Å²	140.7	80%	0.795	73%	0.734	S	S	*	*			trans	-61.9	115.5	174.2	-58.7	174.3	0	0	0	108.6	H120 R124	H120-I122 PolarHBondContact O-N 3.11Å; I122-R124 PolarHBondContact O-N 2.88Å
123	P	22.5	Very low	25.8	Very low	103 Å²	103	137.6 Å²	137.6	67%	0.669	73%	0.73	S	S	*	*			trans	-67.8	124.7	179.3	27.5	-33.3	0	0	0	109.5	T121 T125	T121-P123 VanDerWaalsContact O-CD 3.25Å; T121-P123 WeakPolarHBondContact O-CD 3.44Å; T121-P123 VanDerWaalsContact O-N 3.16Å; P123-T125 VanDerWaalsContact C-N 3.26Å; P123-T125 PolarHBondContact O-N 3.31Å
124	R	22.7	Very low	25.7	Very low	245 Å²	245	135.6 Å²	135.6	93%	0.925	74%	0.735	S	S	*	*			trans	-77	80.8	166.4	-67.9	-175.5	-176.9	178.2	2.7	108.4	I122 P126	I122-R124 PolarHBondContact O-N 2.88Å; R124-P126 WeakPolarHBondContact O-CD 3.5Å
125	T	24.9	Very low	25.6	Very low	115 Å²	115	126.1 Å²	126.1	71%	0.706	72%	0.717	S	S	*	*			trans	-58.3	124.5	164.5	37.9	0	0	0	0	108.3	P123 I127	P123-T125 VanDerWaalsContact C-N 3.26Å; P123-T125 PolarHBondContact O-N 3.31Å; T125-I127 PolarHBondContact O-N 3.29Å
126	P	26	Very low	25.4	Very low	121 Å²	121	126 Å²	126	79%	0.786	72%	0.718	S	S	*	*			trans	-64.1	128.9	174.9	26.5	-32.3	0	0	0	108.2	R124 N128	R124-P126 WeakPolarHBondContact O-CD 3.5Å; P126-N128 PolarHBondContact O-N 3.14Å; P126-N128 VanDerWaalsContact O-N 3.14Å
127	I	23.8	Very low	25.3	Very low	143 Å²	143	125.4 Å²	125.4	73%	0.733	73%	0.726	S	S	*	*			trans	-72.2	108.5	171.3	-61.6	174.7	0	0	0	105.7	T125 T129	T125-I127 PolarHBondContact O-N 3.29Å; I127-T129 PolarHBondContact O-N 2.79Å
128	N	25.4	Very low	25.1	Very low	98 Å²	98	124.7 Å²	124.7	52%	0.524	73%	0.731	S	S	.	*			trans	-62.6	119.4	172.4	-173.3	-8	0	0	0	108.3	P126 D130	P126-N128 PolarHBondContact O-N 3.14Å; P126-N128 VanDerWaalsContact O-N 3.14Å; N128-D130 VanDerWaalsContact C-N 3.26Å; N128-D130 PolarHBondContact O-N 2.85Å; N128-D130 WeakPolarHBondContact OD1-CB 3.31Å; N128-D130 PolarHBondContact OD1-N 3.23Å; N128-D130 PolarHBondContact OD1-OD2 3.43Å
129	T	27.2	Very low	24.7	Very low	102 Å²	102	124.9 Å²	124.9	63%	0.626	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-72.8	-20.2	-177.7	35.2	0	0	0	0	113.2	I127 I131	I127-T129 PolarHBondContact O-N 2.79Å; T129-I131 PolarHBondContact O-N 3.22Å; T129-I131 VanDerWaalsContact O-N 3.11Å
130	D	28.8	Very low	24.4	Very low	133 Å²	133	124.2 Å²	124.2	71%	0.711	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-83.5	5.4	-162.5	-46.6	-11.3	0	0	0	112	N128	N128-D130 VanDerWaalsContact C-N 3.26Å; N128-D130 PolarHBondContact O-N 2.85Å; N128-D130 WeakPolarHBondContact OD1-CB 3.31Å; N128-D130 PolarHBondContact OD1-N 3.23Å; N128-D130 PolarHBondContact OD1-OD2 3.43Å
131	I	25.6	Very low	24.2	Very low	142 Å²	142	126.8 Å²	126.8	73%	0.728	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-127.3	51.3	175.9	-39.2	-179.7	0	0	0	110.1	T129	T129-I131 PolarHBondContact O-N 3.22Å; T129-I131 VanDerWaalsContact O-N 3.11Å
132	L	25.5	Very low	24	Very low	147 Å²	147	128.3 Å²	128.3	77%	0.77	76%	0.757	S	S	*	*			trans	-93.1	119.8	153.8	-83.6	167.7	0	0	0	108	S134	L132-S134 PolarHBondContact O-N 3.33Å
133	P	24.4	Very low	24.1	Very low	121 Å²	121	127 Å²	127	79%	0.786	76%	0.755	S	S	*	*			trans	-69.6	127.8	-174.9	27.4	-34	0	0	0	111.2	G135	P133-G135 PolarHBondContact O-N 3.45Å
134	S	23.7	Very low	24.3	Very low	127 Å²	127	126.6 Å²	126.6	89%	0.888	75%	0.748	S	S	*	*			trans	-66.2	90.7	179.8	-49.6	0	0	0	0	112	L132	L132-S134 PolarHBondContact O-N 3.33Å
135	G	23.3	Very low	24.4	Very low	55 Å²	55	122.5 Å²	122.5	57%	0.567	74%	0.737	S	S	*	*			trans	-65.7	150.1	166.6	0	0	0	0	0	111.5	P133 S137	P133-G135 PolarHBondContact O-N 3.45Å; G135-S137 PolarHBondContact O-N 3.12Å
136	P	24.8	Very low	24.6	Very low	125 Å²	125	127.1 Å²	127.1	81%	0.812	75%	0.747	S	S	*	*			trans	-70.1	130.8	-165.6	26.3	-34.8	0	0	0	114.1	S138	P136-S138 PolarHBondContact O-N 3.34Å
137	S	22.3	Very low	24.6	Very low	130 Å²	130	124.9 Å²	124.9	91%	0.909	75%	0.746	S	S	*	*			trans	-79.7	72.1	-175.8	-50.1	0	0	0	0	113.3	G135	G135-S137 PolarHBondContact O-N 3.12Å
138	S	22.9	Very low	24.6	Very low	105 Å²	105	123 Å²	123	73%	0.734	75%	0.745	S	S	*	*			trans	-150.4	54.3	-179.1	71.3	0	0	0	0	116.7	P136	P136-S138 PolarHBondContact O-N 3.34Å
139	S	23.1	Very low	24.8	Very low	113 Å²	113	124.5 Å²	124.5	79%	0.79	76%	0.76	S	S	*	*			trans	-151.7	128.7	150.6	58.6	0	0	0	0	111.1	F141	S139-F141 PolarHBondContact O-N 3.08Å
140	G	19.8	Very low	24.8	Very low	79 Å²	79	128.7 Å²	128.7	81%	0.814	77%	0.765	S	S	*	*			trans	-83.3	104.6	-170	0	0	0	0	0	113.4
141	F	22.4	Very low	24.8	Very low	187 Å²	187	125.9 Å²	125.9	82%	0.82	75%	0.754	S	S	*	*			trans	-118.8	82.6	156.3	-84.1	-75.6	0	0	0	109.7	S139 V143	S139-F141 PolarHBondContact O-N 3.08Å; F141-V143 VanDerWaalsContact C-N 3.32Å; F141-V143 PolarHBondContact O-N 3.21Å
142	N	21.3	Very low	25.2	Very low	149 Å²	149	123.9 Å²	123.9	80%	0.797	75%	0.748	S	S	*	*			trans	-70.7	89.4	168.8	-175.8	8.3	0	0	0	109.1
143	V	25.1	Very low	25.8	Very low	127 Å²	127	120.4 Å²	120.4	77%	0.77	73%	0.733	S	S	*	*			trans	-109.3	82.1	170.7	-175	0	0	0	0	108	F141	F141-V143 VanDerWaalsContact C-N 3.32Å; F141-V143 PolarHBondContact O-N 3.21Å
144	D	26.6	Very low	26.4	Very low	95 Å²	95	122 Å²	122	51%	0.508	73%	0.727	S	S	.	*			trans	-65.3	154.9	178.9	-160.2	0.6	0	0	0	112
145	K	26.7	Very low	27.2	Very low	159 Å²	159	120.6 Å²	120.6	69%	0.691	71%	0.705	S	S	*	*	S	Bend	trans	58.8	119.5	167.5	-68	132.3	-173	160	0	120.3	G147	K145-G147 PolarHBondContact O-N 3.33Å
146	K	27.4	Very low	27.8	Very low	212 Å²	212	122.3 Å²	122.3	92%	0.922	70%	0.701	S	S	*	*			trans	63.8	23.3	143.3	-59.7	-178.1	179.5	176.3	0	119.4	S148	K146-S148 PolarHBondContact O-N 3.05Å
147	G	25.7	Very low	28.4	Very low	74 Å²	74	120.3 Å²	120.3	76%	0.763	68%	0.683	S	S	*	*			trans	-59.2	124.6	165.6	0	0	0	0	0	112.5	K145	K145-G147 PolarHBondContact O-N 3.33Å
148	S	24.5	Very low	29.3	Very low	103 Å²	103	123.2 Å²	123.2	72%	0.72	67%	0.674	S	S	*	*			trans	-61.2	143.4	-176.6	55.8	0	0	0	0	112.6	K146 R150	K146-S148 PolarHBondContact O-N 3.05Å; S148-R150 PolarHBondContact O-N 2.77Å
149	P	29.5	Very low	30.1	Very low	129 Å²	129	121.4 Å²	121.4	84%	0.838	66%	0.656	S	S	*	*			trans	-66.4	104.6	-168.8	25.4	-34.4	0	0	0	111.4
150	R	27.5	Very low	30.8	Very low	190 Å²	190	117.7 Å²	117.7	72%	0.717	64%	0.635	S	S	*	*			trans	-55.8	133.8	-178.7	-71.9	-176.6	173	-176.1	-0.4	110.9	S148 V152 S445	S148-R150 PolarHBondContact O-N 2.77Å; R150-V152 PolarHBondContact O-N 3.11Å; R150-S445 PolarHBondContact NH2-OG 3.48Å; R150-S445 VanDerWaalsContact NH2-OG 3.12Å
151	P	29.4	Very low	31.7	Very low	75 Å²	75	116.8 Å²	116.8	49%	0.487	62%	0.616	S	S	.	*			trans	-61.9	114.7	172.1	24.8	-32.5	0	0	0	109.7	F155 L156	P151-F155 HydrophobicContact CB-CD1 3.77Å; P151-F155 HydrophobicContact CB-CE1 4.4Å; P151-L156 HydrophobicContact CB-CD2 4.28Å; P151-L156 HydrophobicContact CB-CG 4.35Å; P151-L156 HydrophobicContact CG-CD2 4.27Å
152	V	33.9	Very low	32.5	Very low	99 Å²	99	110.4 Å²	110.4	60%	0.6	60%	0.598	S	S	*	*			trans	-53.3	142	178	-176.3	0	0	0	0	109.6	R150 K154 F155 L156	R150-V152 PolarHBondContact O-N 3.11Å; V152-K154 HydrophobicContact CG1-CB 4.31Å; V152-K154 PolarHBondContact O-N 3.49Å; V152-F155 WeakPolarHBondContact O-CA 3.48Å; V152-F155 VanDerWaalsContact O-CB 3.27Å; V152-F155 WeakPolarHBondContact O-CB 3.25Å; V152-F155 PolarHBondContact O-N 3.39Å; V152-L156 PolarHBondContact O-N 3.41Å
153	V	36.8	Very low	33.3	Very low	75 Å²	75	107.8 Å²	107.8	46%	0.455	58%	0.584	S	S	.	*	H	α-helix	trans	-52.1	-34.2	-178.3	-177.3	0	0	0	0	112.5	F155 L156 L157	V153-F155 VanDerWaalsContact C-N 3.3Å; V153-F155 PolarHBondContact O-N 3.22Å; V153-L156 PolarHBondContact O-N 2.73Å; V153-L157 HydrophobicContact CG1-CD1 4.09Å; V153-L157 HydrophobicContact CG1-CG 4.46Å; V153-L157 WeakPolarHBondContact O-CB 3.39Å; V153-L157 WeakPolarHBondContact O-CG 3.42Å; V153-L157 PolarHBondContact O-N 3.26Å
154	K	38	Very low	33.9	Very low	154 Å²	154	105.9 Å²	105.9	67%	0.67	57%	0.572	S	S	*	*	H	α-helix	trans	-60.7	-30.5	173	-69.5	-179	178.4	173.9	0	114.2	V152 R158	V152-K154 HydrophobicContact CG1-CB 4.31Å; V152-K154 PolarHBondContact O-N 3.49Å; K154-R158 VanDerWaalsContact O-CB 3.29Å; K154-R158 WeakPolarHBondContact O-CB 3.5Å; K154-R158 PolarHBondContact O-N 3Å; K154-R158 VanDerWaalsContact O-N 3.09Å
155	F	39.5	Very low	34.5	Very low	97 Å²	97	109 Å²	109	43%	0.425	58%	0.577	S	S	.	*	H	α-helix	trans	-74.7	-44	174.9	-177.8	-107.9	0	0	0	111.2	P151 V152 V153 R158 I159	P151-F155 HydrophobicContact CB-CD1 3.77Å; P151-F155 HydrophobicContact CB-CE1 4.4Å; V152-F155 WeakPolarHBondContact O-CA 3.48Å; V152-F155 VanDerWaalsContact O-CB 3.27Å; V152-F155 WeakPolarHBondContact O-CB 3.25Å; V152-F155 PolarHBondContact O-N 3.39Å; V153-F155 VanDerWaalsContact C-N 3.3Å; V153-F155 PolarHBondContact O-N 3.22Å; F155-R158 CarbonylContact O-C 3.32Å; F155-R158 PolarHBondContact O-N 3.42Å; F155-R158 VanDerWaalsContact O-N 3.13Å; F155-I159 HydrophobicContact CD1-CD1 3.83Å; F155-I159 HydrophobicContact CE1-CD1 3.4Å; F155-I159 VanDerWaalsContact CE1-CD1 3.4Å; F155-I159 HydrophobicContact CE1-CG1 4.43Å; F155-I159 HydrophobicContact CE2-CD1 4.43Å; F155-I159 HydrophobicContact CZ-CD1 3.75Å; F155-I159 HydrophobicContact CZ-CG1 4.48Å; F155-I159 PolarHBondContact O-N 2.97Å
156	L	36.4	Very low	35	Very low	92 Å²	92	105.2 Å²	105.2	48%	0.482	57%	0.57	S	S	.	*	H	α-helix	trans	-61.8	-45.1	174.6	-64.1	174.3	0	0	0	111.7	P151 V152 V153 R158 I159 G160	P151-L156 HydrophobicContact CB-CD2 4.28Å; P151-L156 HydrophobicContact CB-CG 4.35Å; P151-L156 HydrophobicContact CG-CD2 4.27Å; V152-L156 PolarHBondContact O-N 3.41Å; V153-L156 PolarHBondContact O-N 2.73Å; L156-R158 VanDerWaalsContact C-N 3.3Å; L156-R158 PolarHBondContact O-N 2.94Å; L156-I159 PolarHBondContact O-N 3.47Å; L156-G160 PolarHBondContact O-N 2.96Å
157	L	37.7	Very low	35.3	Very low	83 Å²	83	100.9 Å²	100.9	44%	0.435	55%	0.553	S	S	.	*	H	α-helix	trans	-58.4	-39.2	171.5	-79.2	166.1	0	0	0	112.6	V153 S161 A458	V153-L157 HydrophobicContact CG1-CD1 4.09Å; V153-L157 HydrophobicContact CG1-CG 4.46Å; V153-L157 WeakPolarHBondContact O-CB 3.39Å; V153-L157 WeakPolarHBondContact O-CG 3.42Å; V153-L157 PolarHBondContact O-N 3.26Å; L157-S161 WeakPolarHBondContact O-CB 3.42Å; L157-S161 PolarHBondContact O-N 2.88Å; L157-S161 PolarHBondContact O-OG 3.46Å; L157-A458 HydrophobicContact CD2-CB 4.36Å; L157-A458 VanDerWaalsContact CD2-O 3.24Å; L157-A458 WeakPolarHBondContact CD2-O 3.44Å
158	R	41.6	Very low	35.6	Very low	190 Å²	190	102.7 Å²	102.7	72%	0.717	54%	0.538	S	S	*	.	H	α-helix	trans	-69.6	-36.9	176.9	-174.2	174.7	-75.1	174.6	-4.4	112.1	K154 F155 L156 S161 A162	K154-R158 VanDerWaalsContact O-CB 3.29Å; K154-R158 WeakPolarHBondContact O-CB 3.5Å; K154-R158 PolarHBondContact O-N 3Å; K154-R158 VanDerWaalsContact O-N 3.09Å; F155-R158 CarbonylContact O-C 3.32Å; F155-R158 PolarHBondContact O-N 3.42Å; F155-R158 VanDerWaalsContact O-N 3.13Å; L156-R158 VanDerWaalsContact C-N 3.3Å; L156-R158 PolarHBondContact O-N 2.94Å; R158-S161 PolarHBondContact O-OG 3.27Å; R158-A162 WeakPolarHBondContact O-CB 3.39Å; R158-A162 PolarHBondContact O-N 3.09Å
159	I	40.5	Very low	36.1	Very low	68 Å²	68	104 Å²	104	35%	0.349	53%	0.533	S	S	.	.	H	α-helix	trans	-65.5	-50.1	172.7	-72.7	172.5	0	0	0	110.5	F155 L156 S161 A162 L163	F155-I159 HydrophobicContact CD1-CD1 3.83Å; F155-I159 HydrophobicContact CE1-CD1 3.4Å; F155-I159 VanDerWaalsContact CE1-CD1 3.4Å; F155-I159 HydrophobicContact CE1-CG1 4.43Å; F155-I159 HydrophobicContact CE2-CD1 4.43Å; F155-I159 HydrophobicContact CZ-CD1 3.75Å; F155-I159 HydrophobicContact CZ-CG1 4.48Å; F155-I159 PolarHBondContact O-N 2.97Å; L156-I159 PolarHBondContact O-N 3.47Å; I159-S161 PolarHBondContact O-N 3.42Å; I159-A162 PolarHBondContact O-N 3.05Å; I159-A162 VanDerWaalsContact O-N 3.13Å; I159-L163 HydrophobicContact CG2-CD1 3.86Å; I159-L163 HydrophobicContact CG2-CG 4.44Å; I159-L163 WeakPolarHBondContact O-CG 3.49Å; I159-L163 PolarHBondContact O-N 3.21Å
160	G	37.3	Very low	36.1	Very low	34 Å²	34	102.9 Å²	102.9	35%	0.351	53%	0.525	S	S	.	.	H	α-helix	trans	-57.9	-48.1	179.1	0	0	0	0	0	112.4	L156 A162 L163 V164	L156-G160 PolarHBondContact O-N 2.96Å; G160-A162 VanDerWaalsContact C-N 3.32Å; G160-A162 PolarHBondContact O-N 3.31Å; G160-L163 PolarHBondContact O-N 3.5Å; G160-V164 WeakPolarHBondContact O-CG2 3.33Å; G160-V164 PolarHBondContact O-N 3.3Å
161	S	38.4	Very low	36.4	Very low	60 Å²	60	97.5 Å²	97.5	42%	0.42	52%	0.521	S	S	.	.	H	α-helix	trans	-69.1	-24.2	176.6	55.6	0	0	0	0	114.5	L157 R158 I159 R165	L157-S161 WeakPolarHBondContact O-CB 3.42Å; L157-S161 PolarHBondContact O-N 2.88Å; L157-S161 PolarHBondContact O-OG 3.46Å; R158-S161 PolarHBondContact O-OG 3.27Å; I159-S161 PolarHBondContact O-N 3.42Å; S161-R165 PolarHBondContact O-N 3.32Å; S161-R165 VanDerWaalsContact O-N 3.16Å
162	A	40.1	Very low	36.4	Very low	54 Å²	54	99 Å²	99	45%	0.446	53%	0.529	S	S	.	.	H	α-helix	trans	-76.2	-40.8	172.4	0	0	0	0	0	112.3	R158 I159 G160 R165 S166	R158-A162 WeakPolarHBondContact O-CB 3.39Å; R158-A162 PolarHBondContact O-N 3.09Å; I159-A162 PolarHBondContact O-N 3.05Å; I159-A162 VanDerWaalsContact O-N 3.13Å; G160-A162 VanDerWaalsContact C-N 3.32Å; G160-A162 PolarHBondContact O-N 3.31Å; A162-R165 PolarHBondContact O-N 3.14Å; A162-S166 WeakPolarHBondContact O-CB 3.33Å; A162-S166 PolarHBondContact O-N 3Å; A162-S166 PolarHBondContact O-OG 2.85Å
163	L	37.5	Very low	36.2	Very low	94 Å²	94	97.3 Å²	97.3	49%	0.492	53%	0.531	S	S	.	.	H	α-helix	trans	-62.7	-44.1	173.2	-74.6	167.2	0	0	0	111.4	I159 G160 R165 S166 Q167	I159-L163 HydrophobicContact CG2-CD1 3.86Å; I159-L163 HydrophobicContact CG2-CG 4.44Å; I159-L163 WeakPolarHBondContact O-CG 3.49Å; I159-L163 PolarHBondContact O-N 3.21Å; G160-L163 PolarHBondContact O-N 3.5Å; L163-R165 VanDerWaalsContact C-N 3.34Å; L163-R165 PolarHBondContact O-N 3.11Å; L163-S166 PolarHBondContact O-N 3.29Å; L163-S166 PolarHBondContact O-OG 3.18Å; L163-Q167 PolarHBondContact O-N 3.28Å; L163-Q167 VanDerWaalsContact O-N 3.12Å
164	V	38	Very low	36	Very low	87 Å²	87	102.1 Å²	102.1	53%	0.527	55%	0.546	S	S	.	.	H	α-helix	trans	-62	-41	175.1	172.1	0	0	0	0	111	G160 Y168	G160-V164 WeakPolarHBondContact O-CG2 3.33Å; G160-V164 PolarHBondContact O-N 3.3Å; V164-Y168 HydrophobicContact CG1-CD2 4.33Å; V164-Y168 VanDerWaalsContact O-CB 3.27Å; V164-Y168 WeakPolarHBondContact O-CB 3.39Å; V164-Y168 VanDerWaalsContact O-CD2 3.31Å; V164-Y168 WeakPolarHBondContact O-CD2 3.11Å; V164-Y168 PolarHBondContact O-N 2.98Å
165	R	38.1	Very low	35.5	Very low	160 Å²	160	104.1 Å²	104.1	60%	0.604	56%	0.558	S	S	*	*	H	α-helix	trans	-65.1	-50.8	173.3	-87.5	-167.8	169.7	80.3	1.8	113	S161 A162 L163 Q167 Y168 E169	S161-R165 PolarHBondContact O-N 3.32Å; S161-R165 VanDerWaalsContact O-N 3.16Å; A162-R165 PolarHBondContact O-N 3.14Å; L163-R165 VanDerWaalsContact C-N 3.34Å; L163-R165 PolarHBondContact O-N 3.11Å; R165-Q167 VanDerWaalsContact C-N 3.26Å; R165-Q167 PolarHBondContact O-N 3.13Å; R165-Y168 PolarHBondContact O-N 3.39Å; R165-E169 WeakPolarHBondContact CD-OE2 3.43Å; R165-E169 WeakPolarHBondContact CG-OE2 3.33Å; R165-E169 IonicContact NE-OE2 2.74Å; R165-E169 WeakPolarHBondContact O-CB 3.36Å; R165-E169 PolarHBondContact O-N 2.91Å
166	S	38	Very low	35.1	Very low	79 Å²	79	103.9 Å²	103.9	55%	0.552	56%	0.564	S	S	*	*	H	α-helix	trans	-63.9	-30.9	-172.4	65	0	0	0	0	113.4	A162 L163	A162-S166 WeakPolarHBondContact O-CB 3.33Å; A162-S166 PolarHBondContact O-N 3Å; A162-S166 PolarHBondContact O-OG 2.85Å; L163-S166 PolarHBondContact O-N 3.29Å; L163-S166 PolarHBondContact O-OG 3.18Å
167	Q	33.7	Very low	34.9	Very low	122 Å²	122	104 Å²	104	57%	0.57	57%	0.569	S	S	*	*	H	α-helix	trans	-92.6	-34.8	178.5	-64.4	-171.3	-10.2	0	0	113.9	L163 R165	L163-Q167 PolarHBondContact O-N 3.28Å; L163-Q167 VanDerWaalsContact O-N 3.12Å; R165-Q167 VanDerWaalsContact C-N 3.26Å; R165-Q167 PolarHBondContact O-N 3.13Å
168	Y	32.3	Very low	34.5	Very low	112 Å²	112	104.8 Å²	104.8	44%	0.439	58%	0.579	S	S	.	*	H	α-helix	trans	-104.2	-23.7	-171.5	-61.6	-100.3	0	0	0	114.7	V164 R165 P170 A171 V172	V164-Y168 HydrophobicContact CG1-CD2 4.33Å; V164-Y168 VanDerWaalsContact O-CB 3.27Å; V164-Y168 WeakPolarHBondContact O-CB 3.39Å; V164-Y168 VanDerWaalsContact O-CD2 3.31Å; V164-Y168 WeakPolarHBondContact O-CD2 3.11Å; V164-Y168 PolarHBondContact O-N 2.98Å; R165-Y168 PolarHBondContact O-N 3.39Å; Y168-P170 VanDerWaalsContact C-N 3.34Å; Y168-A171 PolarHBondContact O-N 3.46Å; Y168-V172 WeakPolarHBondContact O-CG2 3.47Å; Y168-V172 PolarHBondContact O-N 2.93Å
169	E	33.2	Very low	34.1	Very low	131 Å²	131	103.3 Å²	103.3	61%	0.612	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-32.6	176.2	-163.7	163.5	174	0	0	113.3	R165	R165-E169 WeakPolarHBondContact CD-OE2 3.43Å; R165-E169 WeakPolarHBondContact CG-OE2 3.33Å; R165-E169 IonicContact NE-OE2 2.74Å; R165-E169 WeakPolarHBondContact O-CB 3.36Å; R165-E169 PolarHBondContact O-N 2.91Å
170	P	30.6	Very low	33.7	Very low	104 Å²	104	106.9 Å²	106.9	68%	0.675	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-24.9	167.9	-18.9	33.3	0	0	0	114.4	Y168	Y168-P170 VanDerWaalsContact C-N 3.34Å
171	A	32.8	Very low	33.4	Very low	77 Å²	77	109.9 Å²	109.9	64%	0.636	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-27	-174.8	0	0	0	0	0	113.2	Y168 G173	Y168-A171 PolarHBondContact O-N 3.46Å; A171-G173 PolarHBondContact O-N 3.07Å
172	V	29.7	Very low	33.2	Very low	108 Å²	108	114.3 Å²	114.3	66%	0.655	62%	0.621	S	S	*	*	S	Bend	trans	-76.7	75.7	170	-177.1	0	0	0	0	108.9	Y168 K174	Y168-V172 WeakPolarHBondContact O-CG2 3.47Å; Y168-V172 PolarHBondContact O-N 2.93Å; V172-K174 PolarHBondContact O-N 3Å; V172-K174 VanDerWaalsContact O-N 3.15Å
173	G	29.5	Very low	32.8	Very low	63 Å²	63	119.4 Å²	119.4	65%	0.649	64%	0.64	S	S	*	*			trans	-54.3	118.7	163.9	0	0	0	0	0	108.9	A171 E175	A171-G173 PolarHBondContact O-N 3.07Å; G173-E175 PolarHBondContact O-N 3.33Å
174	K	33.6	Very low	32.4	Very low	176 Å²	176	118.4 Å²	118.4	77%	0.765	64%	0.641	S	S	*	*			trans	-52.9	140.3	-174.7	-69.6	176.7	179.2	171.7	0	110.9	V172 V176	V172-K174 PolarHBondContact O-N 3Å; V172-K174 VanDerWaalsContact O-N 3.15Å; K174-V176 VanDerWaalsContact C-N 3.3Å; K174-V176 PolarHBondContact O-N 2.79Å
175	E	27.8	Very low	31.9	Very low	195 Å²	195	120.3 Å²	120.3	91%	0.911	65%	0.648	S	S	*	*			trans	-64	85.5	176.3	-63.1	-179.7	137.1	0	0	110.8	G173 T177	G173-E175 PolarHBondContact O-N 3.33Å; E175-T177 PolarHBondContact O-N 2.92Å
176	V	31	Very low	31.3	Very low	93 Å²	93	124.2 Å²	124.2	56%	0.564	66%	0.662	S	S	*	*			trans	-76.1	112.9	171.2	179.4	0	0	0	0	107.6	K174	K174-V176 VanDerWaalsContact C-N 3.3Å; K174-V176 PolarHBondContact O-N 2.79Å
177	T	31.8	Very low	30.7	Very low	94 Å²	94	131.5 Å²	131.5	58%	0.577	68%	0.678	S	S	*	*			trans	-62	139.5	-177.8	46.6	0	0	0	0	111.2	E175 H179 Q180	E175-T177 PolarHBondContact O-N 2.92Å; T177-H179 PolarHBondContact O-N 3.43Å; T177-Q180 PolarHBondContact O-N 3.25Å
178	P	29.6	Very low	30.5	Very low	100 Å²	100	135.4 Å²	135.4	65%	0.649	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-56.6	-28.5	-163.5	-30.2	36.2	0	0	0	116	Q180 L181	P178-Q180 VanDerWaalsContact C-N 3.31Å; P178-Q180 PolarHBondContact O-N 3.13Å; P178-L181 PolarHBondContact O-N 3.25Å
179	H	31.9	Very low	30.1	Very low	158 Å²	158	142 Å²	142	73%	0.731	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-67.5	-19.8	-173.5	-73	-67	0	0	0	115.4	T177	T177-H179 PolarHBondContact O-N 3.43Å
180	Q	32.2	Very low	29.8	Very low	143 Å²	143	146.8 Å²	146.8	67%	0.668	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-81.9	-13	177.4	-73.8	-166.6	-12.8	0	0	114.5	T177 P178 S184	T177-Q180 PolarHBondContact O-N 3.25Å; P178-Q180 VanDerWaalsContact C-N 3.31Å; P178-Q180 PolarHBondContact O-N 3.13Å; Q180-S184 PolarHBondContact O-OG 3.31Å
181	L	31.9	Very low	29.5	Very low	97 Å²	97	152.5 Å²	152.5	51%	0.508	74%	0.738	S	S	.	*	H	α-helix	trans	-78.4	-22	-179.2	-74.9	169.1	0	0	0	113.9	P178 N185	P178-L181 PolarHBondContact O-N 3.25Å; L181-N185 PolarHBondContact O-ND2 3.39Å
182	L	33.1	Very low	29.4	Very low	153 Å²	153	154.5 Å²	154.5	80%	0.801	74%	0.742	S	S	*	*	H	α-helix	trans	-79.8	-22.7	-177.2	-71.2	174.3	0	0	0	114.3
183	L	33	Very low	29.4	Very low	162 Å²	162	156.1 Å²	156.1	85%	0.848	75%	0.746	S	S	*	*	H	α-helix	trans	-103.8	-17.9	-175.2	-71.9	168.2	0	0	0	114.4
184	S	29.1	Very low	29.2	Very low	73 Å²	73	161.5 Å²	161.5	51%	0.51	76%	0.755	S	S	.	*	H	α-helix	trans	-89.7	-28.8	-175.4	47.9	0	0	0	0	114.1	Q180 R186	Q180-S184 PolarHBondContact O-OG 3.31Å; S184-R186 PolarHBondContact O-N 3.11Å
185	N	27.9	Very low	28.7	Very low	126 Å²	126	161.3 Å²	161.3	67%	0.674	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	9.7	-170.2	-82.3	-59.4	0	0	0	116.5	L181	L181-N185 PolarHBondContact O-ND2 3.39Å
186	R	25.2	Very low	28.7	Very low	242 Å²	242	157.5 Å²	157.5	91%	0.913	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	3.3	-178.9	-115.6	-176.5	-176.4	-163.6	1.1	115.7	S184	S184-R186 PolarHBondContact O-N 3.11Å
187	R	25	Very low	28.6	Very low	233 Å²	233	158.8 Å²	158.8	88%	0.879	76%	0.757	S	S	*	*	S	Bend	trans	-85.1	118.3	175.4	-79.4	-172.3	170.9	-178.5	-2.1	111.7	R189	R187-R189 PolarHBondContact O-N 3.19Å
188	K	28.3	Very low	28.3	Very low	203 Å²	203	165.9 Å²	165.9	88%	0.883	77%	0.773	S	S	*	*			trans	-44.5	127.5	175.1	-63.5	174.3	177.3	179.5	0	110.9	R190	K188-R190 PolarHBondContact O-N 3.32Å
189	R	25.7	Very low	28.3	Very low	251 Å²	251	168.1 Å²	168.1	95%	0.947	78%	0.779	S	S	*	*			trans	-63.5	94.4	165.7	-71	-175.1	178.2	-167.5	-0.5	108.7	R187	R187-R189 PolarHBondContact O-N 3.19Å
190	R	25.9	Very low	28.2	Very low	231 Å²	231	164.9 Å²	164.9	87%	0.872	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-61.3	136.4	153.6	-98.5	-174.6	168.7	173.5	-4.1	106.5	K188 V192	K188-R190 PolarHBondContact O-N 3.32Å; R190-V192 PolarHBondContact O-N 3.02Å; R190-V192 VanDerWaalsContact O-N 3.13Å
191	R	25	Very low	28.1	Very low	225 Å²	225	164.5 Å²	164.5	85%	0.849	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-58.3	118.1	160.3	-68.9	177.6	179.9	150.8	-1.5	105.9
192	V	31.3	Very low	28	Very low	119 Å²	119	165.9 Å²	165.9	72%	0.721	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-87.4	118.1	153.9	175.5	0	0	0	0	103	R190 E194	R190-V192 PolarHBondContact O-N 3.02Å; R190-V192 VanDerWaalsContact O-N 3.13Å; V192-E194 VanDerWaalsContact C-N 3.29Å; V192-E194 HydrophobicContact CG1-CG 4.47Å; V192-E194 PolarHBondContact O-N 3.11Å
193	D	29.5	Very low	27.7	Very low	141 Å²	141	167.5 Å²	167.5	75%	0.754	79%	0.79	S	S	*	*			trans	-71.8	94.3	172.9	-56.9	-62.5	0	0	0	106.5	E195	D193-E195 VanDerWaalsContact C-N 3.25Å; D193-E195 PolarHBondContact O-N 3.14Å
194	E	24.9	Very low	27.4	Very low	176 Å²	176	165.6 Å²	165.6	82%	0.822	79%	0.785	S	S	*	*			trans	-68	88.9	174.9	-72.7	-169.3	151.5	0	0	108.3	V192 P196	V192-E194 VanDerWaalsContact C-N 3.29Å; V192-E194 HydrophobicContact CG1-CG 4.47Å; V192-E194 PolarHBondContact O-N 3.11Å; E194-P196 VanDerWaalsContact O-N 3.12Å
195	E	23.3	Very low	27.3	Very low	173 Å²	173	167.7 Å²	167.7	81%	0.808	79%	0.79	S	S	*	*			trans	-50	119.4	169.4	-172.8	-178.8	-177.9	0	0	108	D193 T197	D193-E195 VanDerWaalsContact C-N 3.25Å; D193-E195 PolarHBondContact O-N 3.14Å; E195-T197 PolarHBondContact O-N 3.37Å
196	P	26.5	Very low	27.1	Very low	114 Å²	114	168.8 Å²	168.8	74%	0.74	80%	0.795	S	S	*	*			trans	-65.2	102.8	-162.2	22.4	-33.3	0	0	0	110.2	E194 R198	E194-P196 VanDerWaalsContact O-N 3.12Å; P196-R198 PolarHBondContact O-N 2.97Å
197	T	29.3	Very low	27.1	Very low	120 Å²	120	163.1 Å²	163.1	74%	0.736	78%	0.778	S	S	*	*			trans	-59.5	115.6	-178.6	-65	0	0	0	0	108	E195 L199	E195-T197 PolarHBondContact O-N 3.37Å; T197-L199 VanDerWaalsContact C-N 3.25Å; T197-L199 HydrophobicContact CG2-CD1 4.23Å; T197-L199 PolarHBondContact O-N 2.81Å
198	R	25.2	Very low	27.1	Very low	244 Å²	244	156.7 Å²	156.7	92%	0.921	77%	0.765	S	S	*	*			trans	-67.9	79.7	-175.2	-62.9	-178	-177.5	-174.8	1	110.6	P196 S200	P196-R198 PolarHBondContact O-N 2.97Å; R198-S200 PolarHBondContact O-N 2.7Å
199	L	30.1	Very low	27.1	Very low	147 Å²	147	153.9 Å²	153.9	77%	0.77	76%	0.759	S	S	*	*			trans	-57.9	123.1	169.1	-100.5	70	0	0	0	108.4	T197 T201	T197-L199 VanDerWaalsContact C-N 3.25Å; T197-L199 HydrophobicContact CG2-CD1 4.23Å; T197-L199 PolarHBondContact O-N 2.81Å; L199-T201 PolarHBondContact O-N 2.85Å
200	S	30.9	Very low	27.1	Very low	90 Å²	90	146.4 Å²	146.4	63%	0.629	74%	0.737	S	S	*	*			trans	-61.1	135.6	175.8	52.3	0	0	0	0	109.6	R198 D202	R198-S200 PolarHBondContact O-N 2.7Å; S200-D202 WeakPolarHBondContact CB-OD2 3.43Å; S200-D202 PolarHBondContact O-N 3.2Å; S200-D202 PolarHBondContact OG-OD2 3.06Å
201	T	28.1	Very low	27.2	Very low	134 Å²	134	140.7 Å²	140.7	82%	0.822	72%	0.723	S	S	*	*			trans	-79.7	48.3	-176.9	39.2	0	0	0	0	112.4	L199 K203	L199-T201 PolarHBondContact O-N 2.85Å; T201-K203 PolarHBondContact O-N 3.3Å
202	D	30.2	Very low	27.4	Very low	127 Å²	127	134 Å²	134	68%	0.679	71%	0.71	S	S	*	*			trans	-70.3	90.6	173.2	-69.6	-54.6	0	0	0	109.5	S200 V204	S200-D202 WeakPolarHBondContact CB-OD2 3.43Å; S200-D202 PolarHBondContact O-N 3.2Å; S200-D202 PolarHBondContact OG-OD2 3.06Å; D202-V204 PolarHBondContact O-N 2.58Å
203	K	26.5	Very low	27.3	Very low	186 Å²	186	134.8 Å²	134.8	81%	0.809	71%	0.706	S	S	*	*			trans	-63.6	96.2	177.8	-67.8	-176.7	178.8	-176.4	0	110.5	T201 N205	T201-K203 PolarHBondContact O-N 3.3Å; K203-N205 VanDerWaalsContact C-N 3.29Å; K203-N205 PolarHBondContact O-N 2.82Å
204	V	27.6	Very low	27	Very low	123 Å²	123	133.2 Å²	133.2	75%	0.745	70%	0.697	S	S	*	*			trans	-68.9	89.8	165.2	-175.4	0	0	0	0	108.1	D202 I206	D202-V204 PolarHBondContact O-N 2.58Å; V204-I206 HydrophobicContact CG1-CG1 4.08Å; V204-I206 PolarHBondContact O-N 2.74Å
205	N	25.9	Very low	26.9	Very low	117 Å²	117	131.4 Å²	131.4	63%	0.626	69%	0.688	S	S	*	*			trans	-64.9	98.5	169.2	-98.3	20.4	0	0	0	108.8	K203 E207	K203-N205 VanDerWaalsContact C-N 3.29Å; K203-N205 PolarHBondContact O-N 2.82Å; N205-E207 VanDerWaalsContact C-N 3.32Å; N205-E207 HydrophobicContact CB-CG 4.43Å; N205-E207 PolarHBondContact O-N 3.37Å; N205-E207 VanDerWaalsContact O-N 3.13Å
206	I	24.9	Very low	26.9	Very low	149 Å²	149	134.4 Å²	134.4	76%	0.764	69%	0.693	S	S	*	*			trans	-80.2	86.6	167.5	-54.9	177.4	0	0	0	106.8	V204 T208	V204-I206 HydrophobicContact CG1-CG1 4.08Å; V204-I206 PolarHBondContact O-N 2.74Å; I206-T208 PolarHBondContact O-N 2.81Å
207	E	24.8	Very low	26.9	Very low	122 Å²	122	138.1 Å²	138.1	57%	0.57	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-65.8	119.3	176.9	-64.2	177.7	115.3	0	0	109.1	N205 I209 R1017	N205-E207 VanDerWaalsContact C-N 3.32Å; N205-E207 HydrophobicContact CB-CG 4.43Å; N205-E207 PolarHBondContact O-N 3.37Å; N205-E207 VanDerWaalsContact O-N 3.13Å; E207-I209 PolarHBondContact O-N 2.94Å; E207-R1017 IonicContact OE2-CZ 3.29Å; E207-R1017 IonicContact OE2-NH1 2.74Å; E207-R1017 IonicContact OE2-NH2 3.93Å; E207-R1017 PolarHBondContact OE2-NH2 3.47Å
208	T	25.4	Very low	26.9	Very low	98 Å²	98	138.4 Å²	138.4	60%	0.601	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-62.1	120	179.3	23.2	0	0	0	0	110.8	I206 N210 Q927	I206-T208 PolarHBondContact O-N 2.81Å; T208-N210 PolarHBondContact O-N 2.92Å; T208-Q927 PolarHBondContact OG1-NE2 3.07Å
209	I	27.3	Very low	27.3	Very low	145 Å²	145	133.1 Å²	133.1	74%	0.744	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-62.8	117.6	179.5	-58	171.7	0	0	0	108.9	E207 I211	E207-I209 PolarHBondContact O-N 2.94Å; I209-I211 HydrophobicContact CG2-CG2 4.06Å; I209-I211 PolarHBondContact O-N 2.97Å
210	N	26.8	Very low	27.6	Very low	94 Å²	94	134.5 Å²	134.5	50%	0.503	69%	0.689	S	S	.	*			trans	-73.5	95.1	177	-175.6	8.1	0	0	0	111.1	T208 S212 H213	T208-N210 PolarHBondContact O-N 2.92Å; N210-S212 VanDerWaalsContact C-N 3.29Å; N210-S212 PolarHBondContact ND2-OG 3.14Å; N210-S212 PolarHBondContact O-N 3.17Å; N210-S212 WeakPolarHBondContact OD1-CB 3.24Å; N210-S212 PolarHBondContact OD1-N 2.83Å; N210-S212 PolarHBondContact OD1-OG 3.05Å; N210-S212 VanDerWaalsContact OD1-OG 3.09Å; N210-H213 PolarHBondContact O-CE1 2.9Å; N210-H213 PolarHBondContact O-ND1 3.5Å
211	I	27.6	Very low	27.9	Very low	111 Å²	111	140.2 Å²	140.2	57%	0.569	70%	0.697	S	S	*	*			trans	-84.8	12.4	177.8	52.1	174.4	0	0	0	114.1	I209 H213 L214	I209-I211 HydrophobicContact CG2-CG2 4.06Å; I209-I211 PolarHBondContact O-N 2.97Å; I211-H213 PolarHBondContact O-N 2.85Å; I211-L214 HydrophobicContact CB-CD1 4.13Å; I211-L214 HydrophobicContact CG2-CD1 4.01Å; I211-L214 PolarHBondContact O-N 3.25Å
212	S	28.8	Very low	28.6	Very low	83 Å²	83	137.7 Å²	137.7	58%	0.58	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-10.2	179	75.8	0	0	0	0	114.9	N210	N210-S212 VanDerWaalsContact C-N 3.29Å; N210-S212 PolarHBondContact ND2-OG 3.14Å; N210-S212 PolarHBondContact O-N 3.17Å; N210-S212 WeakPolarHBondContact OD1-CB 3.24Å; N210-S212 PolarHBondContact OD1-N 2.83Å; N210-S212 PolarHBondContact OD1-OG 3.05Å; N210-S212 VanDerWaalsContact OD1-OG 3.09Å
213	H	28.7	Very low	29.3	Very low	136 Å²	136	135.5 Å²	135.5	63%	0.63	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-1.5	176.3	63.7	-89.1	0	0	0	113.4	N210 I211 E215	N210-H213 PolarHBondContact O-CE1 2.9Å; N210-H213 PolarHBondContact O-ND1 3.5Å; I211-H213 PolarHBondContact O-N 2.85Å; H213-E215 PolarHBondContact O-N 3.14Å
214	L	23.7	Very low	30.1	Very low	109 Å²	109	134.6 Å²	134.6	57%	0.571	66%	0.66	S	S	*	*			trans	-97.5	81.9	179.4	-63.9	179.7	0	0	0	111.1	I211	I211-L214 HydrophobicContact CB-CD1 4.13Å; I211-L214 HydrophobicContact CG2-CD1 4.01Å; I211-L214 PolarHBondContact O-N 3.25Å
215	E	23.2	Very low	31.1	Very low	137 Å²	137	132.7 Å²	132.7	64%	0.64	64%	0.639	S	S	*	*			trans	-70.9	130	174.1	-71.4	-179.1	167.8	0	0	112.3	H213 K217	H213-E215 PolarHBondContact O-N 3.14Å; E215-K217 PolarHBondContact O-N 3.33Å
216	W	24.1	Very low	32.3	Very low	237 Å²	237	131.8 Å²	131.8	90%	0.898	63%	0.631	S	S	*	*			trans	-79.7	106.7	167.6	-69.9	89.3	0	0	0	109.3
217	K	26.5	Very low	33.6	Very low	192 Å²	192	129.7 Å²	129.7	84%	0.835	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-48.3	129.1	171	-89.3	-169.2	172.6	-175.7	0	110.2	E215 K219	E215-K217 PolarHBondContact O-N 3.33Å; K217-K219 PolarHBondContact O-N 3.14Å
218	P	28	Very low	34.7	Very low	125 Å²	125	125.6 Å²	125.6	81%	0.812	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-58.8	127.2	-179.5	23.2	-33	0	0	0	109.4	M220	P218-M220 PolarHBondContact O-N 3Å
219	K	33.7	Very low	35.9	Very low	134 Å²	134	125.8 Å²	125.8	58%	0.583	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-65.2	123.5	-176.6	-73.2	-176.9	178.2	177.4	0	109.9	K217 R221	K217-K219 PolarHBondContact O-N 3.14Å; K219-R221 PolarHBondContact O-N 3.49Å
220	M	36.4	Very low	37.2	Very low	175 Å²	175	123.4 Å²	123.4	86%	0.862	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-51.6	130.2	168.8	-166.1	178.1	-168.5	0	0	109.2	P218 H222	P218-M220 PolarHBondContact O-N 3Å; M220-H222 VanDerWaalsContact C-N 3.26Å; M220-H222 PolarHBondContact O-N 2.81Å
221	R	38.7	Very low	38.5	Very low	211 Å²	211	125.7 Å²	125.7	80%	0.796	58%	0.584	S	S	*	*			trans	-68.2	85.6	178.3	-67.5	-167.6	-168.6	179.7	7.8	109.8	K219	K219-R221 PolarHBondContact O-N 3.49Å
222	H	42.7	Very low	39.8	Very low	81 Å²	81	120.7 Å²	120.7	38%	0.375	56%	0.559	S	S	.	*			trans	-75	126	173.9	-170.3	-74	0	0	0	108.7	M220 R224 W225	M220-H222 VanDerWaalsContact C-N 3.26Å; M220-H222 PolarHBondContact O-N 2.81Å; H222-R224 VanDerWaalsContact ND1-CB 3.32Å; H222-R224 WeakPolarHBondContact ND1-CB 3.25Å; H222-R224 PolarHBondContact ND1-N 3Å; H222-R224 PolarHBondContact O-N 2.91Å; H222-W225 WeakPolarHBondContact O-CB 3.34Å; H222-W225 PolarHBondContact O-N 3.02Å
223	P	44.8	Very low	41	Very low	81 Å²	81	122 Å²	122	53%	0.526	56%	0.56	S	S	.	*	H	α-helix	trans	-57.5	-31.2	-170.2	18	-31.1	0	0	0	113.7	W225 E226 D227	P223-W225 PolarHBondContact O-N 3.47Å; P223-W225 VanDerWaalsContact O-N 3.1Å; P223-E226 CarbonylContact O-C 3.58Å; P223-E226 WeakPolarHBondContact O-CA 3.49Å; P223-E226 WeakPolarHBondContact O-CB 3.41Å; P223-E226 PolarHBondContact O-N 3.07Å; P223-D227 PolarHBondContact O-N 3.13Å
224	R	41.9	Very low	42.3	Very low	166 Å²	166	123.5 Å²	123.5	63%	0.626	57%	0.567	S	S	*	*	H	α-helix	trans	-55.1	-24.8	172.1	-161.7	176.7	-177.6	179.2	1.9	115	H222 D227 I228	H222-R224 VanDerWaalsContact ND1-CB 3.32Å; H222-R224 WeakPolarHBondContact ND1-CB 3.25Å; H222-R224 PolarHBondContact ND1-N 3Å; H222-R224 PolarHBondContact O-N 2.91Å; R224-D227 WeakPolarHBondContact CA-OD2 3.46Å; R224-I228 VanDerWaalsContact O-CD1 3.31Å; R224-I228 WeakPolarHBondContact O-CD1 3.28Å; R224-I228 VanDerWaalsContact O-CG1 3.24Å; R224-I228 WeakPolarHBondContact O-CG1 3.32Å; R224-I228 PolarHBondContact O-N 3.2Å
225	W	48.9	Very low	43.5	Very low	84 Å²	84	120.9 Å²	120.9	32%	0.318	56%	0.557	S	S	.	*	H	α-helix	trans	-73.4	-38.8	170.5	-63.8	120.3	0	0	0	111.5	H222 P223 I228 W229 A244 L247	H222-W225 WeakPolarHBondContact O-CB 3.34Å; H222-W225 PolarHBondContact O-N 3.02Å; P223-W225 PolarHBondContact O-N 3.47Å; P223-W225 VanDerWaalsContact O-N 3.1Å; W225-I228 HydrophobicContact CE3-CD1 4.38Å; W225-I228 PolarHBondContact O-N 3.31Å; W225-W229 WeakPolarHBondContact O-CB 3.41Å; W225-W229 PolarHBondContact O-N 3.28Å; W225-A244 HydrophobicContact CH2-CB 3.83Å; W225-A244 HydrophobicContact CZ2-CB 4.46Å; W225-A244 HydrophobicContact CZ3-CB 4.49Å; W225-L247 HydrophobicContact CE3-CD2 3.69Å; W225-L247 HydrophobicContact CZ3-CD2 3.73Å
226	E	51.9	Low	44.8	Very low	98 Å²	98	125.1 Å²	125.1	46%	0.458	57%	0.567	S	S	.	*	H	α-helix	trans	-65.5	-40.9	177.2	-127.6	138.1	-143.6	0	0	110.4	P223 I228 W229 N230	P223-E226 CarbonylContact O-C 3.58Å; P223-E226 WeakPolarHBondContact O-CA 3.49Å; P223-E226 WeakPolarHBondContact O-CB 3.41Å; P223-E226 PolarHBondContact O-N 3.07Å; E226-I228 PolarHBondContact O-N 2.79Å; E226-W229 PolarHBondContact O-N 3.1Å; E226-N230 VanDerWaalsContact O-CB 3.32Å; E226-N230 WeakPolarHBondContact O-CB 3.31Å; E226-N230 PolarHBondContact O-N 2.93Å; E226-N230 PolarHBondContact O-ND2 3.02Å; E226-N230 VanDerWaalsContact O-ND2 3.11Å
227	D	52.1	Low	46.1	Very low	104 Å²	104	114.6 Å²	114.6	56%	0.556	53%	0.53	S	S	*	.	H	α-helix	trans	-56.4	-47.7	170.7	-63.6	-39.7	0	0	0	112.2	P223 R224 N230 Y231	P223-D227 PolarHBondContact O-N 3.13Å; R224-D227 WeakPolarHBondContact CA-OD2 3.46Å; D227-N230 PolarHBondContact O-N 3.28Å; D227-Y231 WeakPolarHBondContact O-CB 3.43Å; D227-Y231 PolarHBondContact O-N 3.33Å
228	I	48.5	Very low	47.4	Very low	36 Å²	36	109.3 Å²	109.3	19%	0.185	52%	0.515	C	S	.	.	H	α-helix	trans	-66.7	-41.1	178.9	-64.4	163.1	0	0	0	110.6	R224 W225 E226 Y231 C232 L247 L251	R224-I228 VanDerWaalsContact O-CD1 3.31Å; R224-I228 WeakPolarHBondContact O-CD1 3.28Å; R224-I228 VanDerWaalsContact O-CG1 3.24Å; R224-I228 WeakPolarHBondContact O-CG1 3.32Å; R224-I228 PolarHBondContact O-N 3.2Å; W225-I228 HydrophobicContact CE3-CD1 4.38Å; W225-I228 PolarHBondContact O-N 3.31Å; E226-I228 PolarHBondContact O-N 2.79Å; I228-Y231 PolarHBondContact O-N 2.81Å; I228-C232 PolarHBondContact O-N 2.85Å; I228-C232 PolarHBondContact O-SG 2.98Å; I228-L247 HydrophobicContact CG2-CD1 3.8Å; I228-L247 HydrophobicContact CG2-CD2 3.84Å; I228-L247 HydrophobicContact CG2-CG 4.21Å; I228-L251 HydrophobicContact CG2-CD1 4.43Å; I228-L251 HydrophobicContact CG2-CD2 4.22Å
229	W	50.4	Low	48.5	Very low	103 Å²	103	106.7 Å²	106.7	39%	0.39	49%	0.489	S	S	.	.	H	α-helix	trans	-64	-42.1	178	-138.5	70.7	0	0	0	111.5	W225 E226 C232 N233 V240	W225-W229 WeakPolarHBondContact O-CB 3.41Å; W225-W229 PolarHBondContact O-N 3.28Å; E226-W229 PolarHBondContact O-N 3.1Å; W229-C232 PolarHBondContact O-N 3.13Å; W229-N233 VanDerWaalsContact O-CB 3.32Å; W229-N233 WeakPolarHBondContact O-CB 3.25Å; W229-N233 PolarHBondContact O-N 2.82Å; W229-V240 HydrophobicContact CZ2-CG1 4.12Å
230	N	53.7	Low	49.4	Very low	94 Å²	94	104.8 Å²	104.8	50%	0.503	49%	0.489	S	S	.	.	H	α-helix	trans	-61.6	-42.2	172.7	-73.3	-31.7	0	0	0	111.6	E226 D227 N233 H234	E226-N230 VanDerWaalsContact O-CB 3.32Å; E226-N230 WeakPolarHBondContact O-CB 3.31Å; E226-N230 PolarHBondContact O-N 2.93Å; E226-N230 PolarHBondContact O-ND2 3.02Å; E226-N230 VanDerWaalsContact O-ND2 3.11Å; D227-N230 PolarHBondContact O-N 3.28Å; N230-N233 PolarHBondContact O-N 3.47Å; N230-H234 VanDerWaalsContact O-CB 3.31Å; N230-H234 WeakPolarHBondContact O-CB 3.21Å; N230-H234 PolarHBondContact O-N 3.43Å
231	Y	55.1	Low	49.9	Very low	142 Å²	142	97.7 Å²	97.7	56%	0.557	46%	0.455	S	S	*	.	H	α-helix	trans	-64.7	-44.8	176.8	-173.5	-120.3	0	0	0	112.5	D227 I228 N233 H234 C235 H255	D227-Y231 WeakPolarHBondContact O-CB 3.43Å; D227-Y231 PolarHBondContact O-N 3.33Å; I228-Y231 PolarHBondContact O-N 2.81Å; Y231-N233 VanDerWaalsContact C-N 3.34Å; Y231-N233 PolarHBondContact O-N 2.75Å; Y231-H234 PolarHBondContact O-N 3.3Å; Y231-C235 WeakPolarHBondContact O-CB 3.13Å; Y231-C235 PolarHBondContact O-N 2.85Å; Y231-H255 AromaticContact CD1-CE1 3.45Å; Y231-H255 VanDerWaalsContact CD1-CE1 3.45Å; Y231-H255 WeakPolarHBondContact CD1-CE1 3.39Å; Y231-H255 AromaticContact CE1-CE1 3.34Å; Y231-H255 WeakPolarHBondContact CE1-CE1 3.48Å
232	C	53.5	Low	50	Low	7 Å²	7	93.7 Å²	93.7	5%	0.047	46%	0.455	C	S	.	.	H	α-helix	trans	-60.2	-42.7	174.5	-65.6	0	0	0	0	112.4	I228 W229 C235 R236 C237 H255	I228-C232 PolarHBondContact O-N 2.85Å; I228-C232 PolarHBondContact O-SG 2.98Å; W229-C232 PolarHBondContact O-N 3.13Å; C232-C235 PolarHBondContact O-N 2.97Å; C232-R236 PolarHBondContact O-N 3.06Å; C232-C237 PolarHBondContact O-N 3.46Å; C232-H255 WeakPolarHBondContact CA-NE2 3.48Å; C232-H255 PolarHBondContact SG-NE2 2.88Å; C232-H255 VanDerWaalsContact SG-NE2 3.42Å
233	N	54.9	Low	49.9	Very low	110 Å²	110	92.2 Å²	92.2	59%	0.588	45%	0.453	S	S	*	.	H	α-helix	trans	-67	-42.3	177.9	-166.8	19.7	0	0	0	111.7	W229 N230 Y231 C235 R236	W229-N233 VanDerWaalsContact O-CB 3.32Å; W229-N233 WeakPolarHBondContact O-CB 3.25Å; W229-N233 PolarHBondContact O-N 2.82Å; N230-N233 PolarHBondContact O-N 3.47Å; Y231-N233 VanDerWaalsContact C-N 3.34Å; Y231-N233 PolarHBondContact O-N 2.75Å; N233-C235 VanDerWaalsContact C-N 3.33Å; N233-C235 PolarHBondContact O-N 3.11Å; N233-R236 WeakPolarHBondContact O-CA 3.35Å; N233-R236 PolarHBondContact O-N 3.31Å
234	H	55.4	Low	49.9	Very low	167 Å²	167	89.5 Å²	89.5	77%	0.773	44%	0.438	S	S	*	.	H	α-helix	trans	-63.5	-37.7	176.3	-160.8	96.6	0	0	0	112.1	N230 Y231 R236	N230-H234 VanDerWaalsContact O-CB 3.31Å; N230-H234 WeakPolarHBondContact O-CB 3.21Å; N230-H234 PolarHBondContact O-N 3.43Å; Y231-H234 PolarHBondContact O-N 3.3Å; H234-R236 PolarHBondContact O-N 3.21Å
235	C	50	Low	49.9	Very low	55 Å²	55	87.7 Å²	87.7	37%	0.372	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	5.6	171.5	-68.6	0	0	0	0	114.3	Y231 C232 N233 C237 H255	Y231-C235 WeakPolarHBondContact O-CB 3.13Å; Y231-C235 PolarHBondContact O-N 2.85Å; C232-C235 PolarHBondContact O-N 2.97Å; N233-C235 VanDerWaalsContact C-N 3.33Å; N233-C235 PolarHBondContact O-N 3.11Å; C235-C237 PolarHBondContact O-N 3.12Å; C235-H255 HydrophobicContact CB-CB 4.27Å; C235-H255 WeakPolarHBondContact CB-ND1 3.12Å; C235-H255 PolarHBondContact SG-CE1 3Å; C235-H255 PolarHBondContact SG-ND1 3Å
236	R	50.4	Low	49.8	Very low	226 Å²	226	86.6 Å²	86.6	85%	0.853	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	32.8	-178.3	-57.2	-172.7	-179.9	-165.2	0.5	113.9	C232 N233 H234	C232-R236 PolarHBondContact O-N 3.06Å; N233-R236 WeakPolarHBondContact O-CA 3.35Å; N233-R236 PolarHBondContact O-N 3.31Å; H234-R236 PolarHBondContact O-N 3.21Å
237	C	51.4	Low	49.6	Very low	16 Å²	16	82.4 Å²	82.4	11%	0.108	42%	0.419	C	S	.	.			trans	-76.3	127.3	178.1	-164.9	0	0	0	0	109.8	C232 C235 Y239 H250 H255	C232-C237 PolarHBondContact O-N 3.46Å; C235-C237 PolarHBondContact O-N 3.12Å; C237-Y239 PolarHBondContact O-N 2.95Å; C237-H250 PolarHBondContact SG-CE1 2.93Å; C237-H255 HydrophobicContact CB-CB 4.49Å
238	P	52.3	Low	49.2	Very low	81 Å²	81	81.9 Å²	81.9	53%	0.526	42%	0.416	S	S	.	.			trans	-73.8	7.6	178.7	32.1	-37.2	0	0	0	113.5	L258	P238-L258 HydrophobicContact CG-CD1 4.38Å; P238-L258 HydrophobicContact CG-CG 4.5Å
239	Y	52	Low	49	Very low	70 Å²	70	86.6 Å²	86.6	28%	0.275	43%	0.431	S	S	.	.			trans	-88.4	113	-174	-167.5	-100.2	0	0	0	111.5	C237 P241 E246 H250	C237-Y239 PolarHBondContact O-N 2.95Å; Y239-P241 HydrophobicContact CD1-CB 4.48Å; Y239-P241 HydrophobicContact CE1-CB 3.97Å; Y239-E246 HydrophobicContact CE1-CB 4.38Å; Y239-E246 WeakPolarHBondContact OH-CB 3.37Å; Y239-E246 VanDerWaalsContact OH-CG 3.31Å; Y239-E246 WeakPolarHBondContact OH-CG 3.43Å; Y239-E246 PolarHBondContact OH-O 3.36Å; Y239-H250 HydrophobicContact CD1-CB 3.58Å; Y239-H250 AromaticContact CD1-CD2 3.54Å; Y239-H250 AromaticContact CD1-CG 3.38Å; Y239-H250 AromaticContact CD1-ND1 3.96Å; Y239-H250 HydrophobicContact CE1-CB 3.47Å; Y239-H250 VanDerWaalsContact CE1-CB 3.47Å; Y239-H250 AromaticContact CE1-CG 3.86Å; Y239-H250 HydrophobicContact CG-CB 4.43Å; Y239-H250 AromaticContact CG-CG 3.98Å
240	V	52.5	Low	49.1	Very low	94 Å²	94	81.9 Å²	81.9	57%	0.57	41%	0.414	S	S	*	.			trans	-104	108.5	170.9	-178.9	0	0	0	0	108.3	W229 T242	W229-V240 HydrophobicContact CZ2-CG1 4.12Å; V240-T242 PolarHBondContact O-N 3.24Å
241	P	46.8	Very low	48.8	Very low	25 Å²	25	81.5 Å²	81.5	16%	0.162	41%	0.411	C	S	.	.			trans	-70.8	128.8	177.9	29.4	-35.8	0	0	0	110.8	Y239 E246 L247	Y239-P241 HydrophobicContact CD1-CB 4.48Å; Y239-P241 HydrophobicContact CE1-CB 3.97Å; P241-E246 HydrophobicContact CB-CB 4.23Å; P241-L247 HydrophobicContact CB-CB 3.72Å; P241-L247 HydrophobicContact CB-CD1 4.48Å; P241-L247 HydrophobicContact CG-CB 4.03Å; P241-L247 HydrophobicContact CG-CD1 4.09Å; P241-L247 HydrophobicContact CG-CD2 4.12Å; P241-L247 HydrophobicContact CG-CG 4.3Å
242	T	41.3	Very low	48.2	Very low	128 Å²	128	80.5 Å²	80.5	79%	0.785	41%	0.412	S	S	*	.	S	Bend	trans	-85	-22.4	169.1	72.4	0	0	0	0	111.7	V240 E246	V240-T242 PolarHBondContact O-N 3.24Å; T242-E246 WeakPolarHBondContact CA-OE2 3.45Å; T242-E246 WeakPolarHBondContact CB-OE2 3.39Å; T242-E246 PolarHBondContact N-OE2 2.87Å; T242-E246 PolarHBondContact OG1-OE2 2.86Å
243	S	40.9	Very low	47.8	Very low	49 Å²	49	87.1 Å²	87.1	34%	0.343	44%	0.435	S	S	.	.	S	Bend	trans	-135.4	164.3	-179.5	75.6	0	0	0	0	113.5	L245 E246 L247	S243-L245 VanDerWaalsContact C-N 3.3Å; S243-L245 PolarHBondContact O-N 3.38Å; S243-E246 PolarHBondContact N-OE2 3.13Å; S243-E246 WeakPolarHBondContact O-CB 3.24Å; S243-E246 PolarHBondContact O-N 3.15Å; S243-E246 WeakPolarHBondContact OG-CB 3.36Å; S243-E246 WeakPolarHBondContact OG-CG 3.45Å; S243-E246 PolarHBondContact OG-N 3.01Å; S243-E246 VanDerWaalsContact OG-N 3.13Å; S243-L247 PolarHBondContact O-N 3.41Å
244	A	43.5	Very low	47.4	Very low	24 Å²	24	83.4 Å²	83.4	20%	0.198	42%	0.423	C	S	.	.	H	α-helix	trans	-70.8	-25.9	175.4	0	0	0	0	0	112.8	W225 L247 L248	W225-A244 HydrophobicContact CH2-CB 3.83Å; W225-A244 HydrophobicContact CZ2-CB 4.46Å; W225-A244 HydrophobicContact CZ3-CB 4.49Å; A244-L247 PolarHBondContact O-N 3.36Å; A244-L248 WeakPolarHBondContact O-CD1 3.42Å; A244-L248 PolarHBondContact O-N 3.18Å
245	L	42.9	Very low	47	Very low	129 Å²	129	78.4 Å²	78.4	68%	0.675	40%	0.4	S	S	*	.	H	α-helix	trans	-70.6	-37.1	172.9	-80.9	165	0	0	0	111.4	S243 R249	S243-L245 VanDerWaalsContact C-N 3.3Å; S243-L245 PolarHBondContact O-N 3.38Å; L245-R249 VanDerWaalsContact O-CB 3.25Å; L245-R249 WeakPolarHBondContact O-CB 3.16Å; L245-R249 PolarHBondContact O-N 3.05Å
246	E	45.9	Very low	46.8	Very low	61 Å²	61	77.6 Å²	77.6	29%	0.285	39%	0.391	S	S	.	.	H	α-helix	trans	-64.2	-45.3	170.3	-85.2	-170.2	146.9	0	0	112	Y239 P241 T242 S243 R249 H250	Y239-E246 HydrophobicContact CE1-CB 4.38Å; Y239-E246 WeakPolarHBondContact OH-CB 3.37Å; Y239-E246 VanDerWaalsContact OH-CG 3.31Å; Y239-E246 WeakPolarHBondContact OH-CG 3.43Å; Y239-E246 PolarHBondContact OH-O 3.36Å; P241-E246 HydrophobicContact CB-CB 4.23Å; T242-E246 WeakPolarHBondContact CA-OE2 3.45Å; T242-E246 WeakPolarHBondContact CB-OE2 3.39Å; T242-E246 PolarHBondContact N-OE2 2.87Å; T242-E246 PolarHBondContact OG1-OE2 2.86Å; S243-E246 PolarHBondContact N-OE2 3.13Å; S243-E246 WeakPolarHBondContact O-CB 3.24Å; S243-E246 PolarHBondContact O-N 3.15Å; S243-E246 WeakPolarHBondContact OG-CB 3.36Å; S243-E246 WeakPolarHBondContact OG-CG 3.45Å; S243-E246 PolarHBondContact OG-N 3.01Å; S243-E246 VanDerWaalsContact OG-N 3.13Å; E246-R249 PolarHBondContact O-N 3.37Å; E246-H250 WeakPolarHBondContact O-CB 3.15Å; E246-H250 PolarHBondContact O-N 2.75Å
247	L	48.8	Very low	46.6	Very low	9 Å²	9	75.2 Å²	75.2	5%	0.047	39%	0.387	C	S	.	.	H	α-helix	trans	-66.8	-39.9	176.8	-173	46.7	0	0	0	112.7	W225 I228 P241 S243 A244 H250 L251	W225-L247 HydrophobicContact CE3-CD2 3.69Å; W225-L247 HydrophobicContact CZ3-CD2 3.73Å; I228-L247 HydrophobicContact CG2-CD1 3.8Å; I228-L247 HydrophobicContact CG2-CD2 3.84Å; I228-L247 HydrophobicContact CG2-CG 4.21Å; P241-L247 HydrophobicContact CB-CB 3.72Å; P241-L247 HydrophobicContact CB-CD1 4.48Å; P241-L247 HydrophobicContact CG-CB 4.03Å; P241-L247 HydrophobicContact CG-CD1 4.09Å; P241-L247 HydrophobicContact CG-CD2 4.12Å; P241-L247 HydrophobicContact CG-CG 4.3Å; S243-L247 PolarHBondContact O-N 3.41Å; A244-L247 PolarHBondContact O-N 3.36Å; L247-H250 HydrophobicContact CD1-CB 4.5Å; L247-H250 PolarHBondContact O-N 3.01Å; L247-L251 HydrophobicContact CD1-CD1 4.18Å; L247-L251 HydrophobicContact CD1-CG 4.04Å; L247-L251 HydrophobicContact CG-CD1 4.12Å; L247-L251 HydrophobicContact CG-CG 4.47Å; L247-L251 VanDerWaalsContact O-CG 3.31Å; L247-L251 WeakPolarHBondContact O-CG 3.13Å; L247-L251 PolarHBondContact O-N 3.09Å
248	L	41.9	Very low	46.1	Very low	94 Å²	94	78 Å²	78	49%	0.492	40%	0.4	S	S	.	.	H	α-helix	trans	-57.1	-52.1	171.2	-107.3	88.1	0	0	0	110.6	A244 H250 L251 E252	A244-L248 WeakPolarHBondContact O-CD1 3.42Å; A244-L248 PolarHBondContact O-N 3.18Å; L248-H250 PolarHBondContact O-N 2.92Å; L248-L251 PolarHBondContact O-N 2.95Å; L248-L251 VanDerWaalsContact O-N 3.13Å; L248-E252 WeakPolarHBondContact O-CB 3.33Å; L248-E252 VanDerWaalsContact O-CG 3.27Å; L248-E252 WeakPolarHBondContact O-CG 3.49Å; L248-E252 PolarHBondContact O-N 3.29Å
249	R	44.8	Very low	45.9	Very low	134 Å²	134	77.1 Å²	77.1	51%	0.506	39%	0.39	S	S	.	.	H	α-helix	trans	-61.9	-26.2	-179.8	-171.4	176.5	-63.5	169.9	2.7	113.1	L245 E246 R253	L245-R249 VanDerWaalsContact O-CB 3.25Å; L245-R249 WeakPolarHBondContact O-CB 3.16Å; L245-R249 PolarHBondContact O-N 3.05Å; E246-R249 PolarHBondContact O-N 3.37Å; R249-R253 WeakPolarHBondContact O-CB 3.25Å; R249-R253 VanDerWaalsContact O-CD 3.27Å; R249-R253 WeakPolarHBondContact O-CD 3.4Å; R249-R253 WeakPolarHBondContact O-CG 3.42Å; R249-R253 PolarHBondContact O-N 3.35Å
250	H	52.7	Low	45.3	Very low	5 Å²	5	76.7 Å²	76.7	2%	0.023	39%	0.393	C	S	.	.	H	α-helix	trans	-75.5	-48.6	172.7	176.8	39.9	0	0	0	112.1	C237 Y239 E246 L247 L248 E252 R253 G254 H255	C237-H250 PolarHBondContact SG-CE1 2.93Å; Y239-H250 HydrophobicContact CD1-CB 3.58Å; Y239-H250 AromaticContact CD1-CD2 3.54Å; Y239-H250 AromaticContact CD1-CG 3.38Å; Y239-H250 AromaticContact CD1-ND1 3.96Å; Y239-H250 HydrophobicContact CE1-CB 3.47Å; Y239-H250 VanDerWaalsContact CE1-CB 3.47Å; Y239-H250 AromaticContact CE1-CG 3.86Å; Y239-H250 HydrophobicContact CG-CB 4.43Å; Y239-H250 AromaticContact CG-CG 3.98Å; E246-H250 WeakPolarHBondContact O-CB 3.15Å; E246-H250 PolarHBondContact O-N 2.75Å; L247-H250 HydrophobicContact CD1-CB 4.5Å; L247-H250 PolarHBondContact O-N 3.01Å; L248-H250 PolarHBondContact O-N 2.92Å; H250-E252 VanDerWaalsContact C-N 3.33Å; H250-E252 PolarHBondContact O-N 2.9Å; H250-R253 PolarHBondContact O-N 3.11Å; H250-R253 VanDerWaalsContact O-N 3.08Å; H250-G254 PolarHBondContact O-N 3.45Å; H250-H255 AromaticContact CE1-CD2 3.67Å; H250-H255 AromaticContact NE2-CD2 3.44Å; H250-H255 PolarHBondContact NE2-CD2 3.36Å; H250-H255 AromaticContact NE2-NE2 3.94Å
251	L	48	Very low	44.7	Very low	85 Å²	85	73.6 Å²	73.6	45%	0.445	37%	0.373	S	S	.	.	H	α-helix	trans	-61.4	-40.7	176.7	-67.1	168	0	0	0	111.5	I228 L247 L248 R253 G254	I228-L251 HydrophobicContact CG2-CD1 4.43Å; I228-L251 HydrophobicContact CG2-CD2 4.22Å; L247-L251 HydrophobicContact CD1-CD1 4.18Å; L247-L251 HydrophobicContact CD1-CG 4.04Å; L247-L251 HydrophobicContact CG-CD1 4.12Å; L247-L251 HydrophobicContact CG-CG 4.47Å; L247-L251 VanDerWaalsContact O-CG 3.31Å; L247-L251 WeakPolarHBondContact O-CG 3.13Å; L247-L251 PolarHBondContact O-N 3.09Å; L248-L251 PolarHBondContact O-N 2.95Å; L248-L251 VanDerWaalsContact O-N 3.13Å; L251-R253 VanDerWaalsContact C-N 3.27Å; L251-R253 PolarHBondContact O-N 3.1Å; L251-G254 PolarHBondContact O-N 3.21Å
252	E	41.4	Very low	44.4	Very low	122 Å²	122	77.7 Å²	77.7	57%	0.57	39%	0.393	S	S	*	.	H	α-helix	trans	-59.7	-31.9	172.7	-74.8	170.5	177.9	0	0	113.5	L248 H250	L248-E252 WeakPolarHBondContact O-CB 3.33Å; L248-E252 VanDerWaalsContact O-CG 3.27Å; L248-E252 WeakPolarHBondContact O-CG 3.49Å; L248-E252 PolarHBondContact O-N 3.29Å; H250-E252 VanDerWaalsContact C-N 3.33Å; H250-E252 PolarHBondContact O-N 2.9Å
253	R	45.9	Very low	44.2	Very low	145 Å²	145	74.8 Å²	74.8	55%	0.547	38%	0.378	S	S	.	.	H	α-helix	trans	-90.9	-12.2	179.9	-73.7	173.8	177.7	-162.8	-4.9	113.7	R249 H250 L251	R249-R253 WeakPolarHBondContact O-CB 3.25Å; R249-R253 VanDerWaalsContact O-CD 3.27Å; R249-R253 WeakPolarHBondContact O-CD 3.4Å; R249-R253 WeakPolarHBondContact O-CG 3.42Å; R249-R253 PolarHBondContact O-N 3.35Å; H250-R253 PolarHBondContact O-N 3.11Å; H250-R253 VanDerWaalsContact O-N 3.08Å; L251-R253 VanDerWaalsContact C-N 3.27Å; L251-R253 PolarHBondContact O-N 3.1Å
254	G	46.2	Very low	44.1	Very low	32 Å²	32	78.6 Å²	78.6	33%	0.33	40%	0.4	S	S	.	.			trans	71.4	172.9	-170.6	0	0	0	0	0	113.7	H250 L251 Q256	H250-G254 PolarHBondContact O-N 3.45Å; L251-G254 PolarHBondContact O-N 3.21Å; G254-Q256 PolarHBondContact O-N 2.97Å
255	H	46.2	Very low	43.9	Very low	63 Å²	63	79.5 Å²	79.5	29%	0.292	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-69.6	118.1	176.9	-68.1	141.2	0	0	0	111.4	Y231 C232 C235 C237 H250	Y231-H255 AromaticContact CD1-CE1 3.45Å; Y231-H255 VanDerWaalsContact CD1-CE1 3.45Å; Y231-H255 WeakPolarHBondContact CD1-CE1 3.39Å; Y231-H255 AromaticContact CE1-CE1 3.34Å; Y231-H255 WeakPolarHBondContact CE1-CE1 3.48Å; C232-H255 WeakPolarHBondContact CA-NE2 3.48Å; C232-H255 PolarHBondContact SG-NE2 2.88Å; C232-H255 VanDerWaalsContact SG-NE2 3.42Å; C235-H255 HydrophobicContact CB-CB 4.27Å; C235-H255 WeakPolarHBondContact CB-ND1 3.12Å; C235-H255 PolarHBondContact SG-CE1 3Å; C235-H255 PolarHBondContact SG-ND1 3Å; C237-H255 HydrophobicContact CB-CB 4.49Å; H250-H255 AromaticContact CE1-CD2 3.67Å; H250-H255 AromaticContact NE2-CD2 3.44Å; H250-H255 PolarHBondContact NE2-CD2 3.36Å; H250-H255 AromaticContact NE2-NE2 3.94Å
256	Q	45.9	Very low	43.4	Very low	38 Å²	38	77.8 Å²	77.8	18%	0.178	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-92.6	125.2	-177.5	-63.5	-176.9	-52	0	0	110.7	G254 I298	G254-Q256 PolarHBondContact O-N 2.97Å; Q256-I298 HydrophobicContact CB-CG2 4.04Å; Q256-I298 VanDerWaalsContact CD-CG2 3.47Å; Q256-I298 HydrophobicContact CG-CG2 4.27Å
257	K	46.6	Very low	42.7	Very low	175 Å²	175	79.1 Å²	79.1	76%	0.761	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-97	131.1	174.9	-174.9	178.2	179.6	-179.7	0	109.8	I259 P299	K257-I259 PolarHBondContact O-N 3.28Å; K257-P299 WeakPolarHBondContact O-CD 3.27Å
258	L	42.3	Very low	41.8	Very low	75 Å²	75	88.2 Å²	88.2	39%	0.393	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-65.3	130.5	171.7	-67.5	167.8	0	0	0	110.2	P238 F296 I298	P238-L258 HydrophobicContact CG-CD1 4.38Å; P238-L258 HydrophobicContact CG-CG 4.5Å; L258-F296 HydrophobicContact CB-CB 4.5Å; L258-F296 HydrophobicContact CB-CD1 4.12Å; L258-F296 HydrophobicContact CD2-CB 4.49Å; L258-I298 HydrophobicContact CD2-CG1 3.62Å
259	I	46.3	Very low	41.4	Very low	63 Å²	63	93.9 Å²	93.9	32%	0.323	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.5	175.4	-60.7	-172.3	0	0	0	109.1	K257 F296 F297 P299	K257-I259 PolarHBondContact O-N 3.28Å; I259-F296 WeakPolarHBondContact O-CA 3.48Å; I259-F297 PolarHBondContact N-O 2.87Å; I259-F297 PolarHBondContact O-N 2.82Å; I259-F297 VanDerWaalsContact O-N 3.15Å; I259-P299 HydrophobicContact CB-CG 4.18Å; I259-P299 HydrophobicContact CD1-CG 3.52Å; I259-P299 HydrophobicContact CG1-CG 3.69Å
260	N	40.2	Very low	40.8	Very low	60 Å²	60	91.9 Å²	91.9	32%	0.321	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	117.5	172.6	-173.4	-13.1	0	0	0	109.6	N262 R295 F296	N260-N262 PolarHBondContact O-N 3.43Å; N260-R295 VanDerWaalsContact OD1-CB 3.29Å; N260-R295 WeakPolarHBondContact OD1-CB 3.4Å; N260-F296 HydrophobicContact CB-CD1 4.05Å; N260-F296 HydrophobicContact CB-CE1 3.7Å; N260-F296 HydrophobicContact CB-CZ 4.12Å
261	I	40.4	Very low	39.6	Very low	29 Å²	29	102.4 Å²	102.4	15%	0.149	51%	0.509	C	S	.	.			trans	-79.5	104.4	176.4	-52.5	179.8	0	0	0	109.5	V265 R295 F297 P338 Q339	I261-V265 HydrophobicContact CG2-CB 4.45Å; I261-R295 PolarHBondContact N-O 3.38Å; I261-R295 WeakPolarHBondContact O-CD 3.34Å; I261-R295 WeakPolarHBondContact O-CG 3.19Å; I261-F297 HydrophobicContact CD1-CD2 3.38Å; I261-F297 HydrophobicContact CD1-CE2 3.83Å; I261-F297 HydrophobicContact CD1-CG 4.24Å; I261-F297 HydrophobicContact CG1-CD2 4.12Å; I261-P338 HydrophobicContact CD1-CB 3.91Å; I261-P338 HydrophobicContact CD1-CG 3.88Å; I261-P338 HydrophobicContact CG1-CB 4.02Å; I261-P338 HydrophobicContact CG1-CG 4.41Å; I261-P338 HydrophobicContact CG2-CB 4.04Å; I261-P338 HydrophobicContact CG2-CG 3.95Å; I261-Q339 HydrophobicContact CD1-CG 4.38Å
262	N	39.3	Very low	38.9	Very low	112 Å²	112	104.9 Å²	104.9	60%	0.599	52%	0.522	S	S	*	.			trans	-60.3	143.8	175.1	-87.6	-16.7	0	0	0	112.1	N260 T264 V265	N260-N262 PolarHBondContact O-N 3.43Å; N262-T264 PolarHBondContact O-N 3.24Å; N262-V265 PolarHBondContact O-N 3.47Å
263	S	38.4	Very low	38.6	Very low	66 Å²	66	107.3 Å²	107.3	46%	0.462	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-65.2	-11.2	-169.3	45.5	0	0	0	0	115.7	V265 I266	S263-V265 PolarHBondContact O-N 3.25Å; S263-I266 WeakPolarHBondContact O-CB 3.27Å; S263-I266 PolarHBondContact O-N 2.87Å
264	T	38.6	Very low	38	Very low	130 Å²	130	109.1 Å²	109.1	80%	0.798	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-67.4	-15.7	176.5	45.6	0	0	0	0	114.2	N262	N262-T264 PolarHBondContact O-N 3.24Å
265	V	39.1	Very low	37.7	Very low	43 Å²	43	112.6 Å²	112.6	26%	0.261	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-92.5	-8.3	177.5	175	0	0	0	0	112.6	I261 N262 S263 P267 R335 P338	I261-V265 HydrophobicContact CG2-CB 4.45Å; N262-V265 PolarHBondContact O-N 3.47Å; S263-V265 PolarHBondContact O-N 3.25Å; V265-P267 WeakPolarHBondContact O-CD 3.46Å; V265-R335 WeakPolarHBondContact CG1-O 3.49Å; V265-P338 HydrophobicContact CG1-CG 4Å
266	I	31.8	Very low	37.1	Very low	92 Å²	92	115.3 Å²	115.3	47%	0.472	58%	0.576	S	S	.	*	S	Bend	trans	-65.2	119.7	173.9	-60.1	174.2	0	0	0	108.1	S263 K268 T270	S263-I266 WeakPolarHBondContact O-CB 3.27Å; S263-I266 PolarHBondContact O-N 2.87Å; I266-K268 PolarHBondContact O-N 2.78Å; I266-T270 WeakPolarHBondContact CG2-OG1 3.29Å
267	P	31.2	Very low	36.7	Very low	89 Å²	89	116.6 Å²	116.6	58%	0.578	59%	0.589	S	S	*	*			trans	-64.3	132.1	-174.3	25.3	-33.8	0	0	0	110.4	V265 K269 T270	V265-P267 WeakPolarHBondContact O-CD 3.46Å; P267-K269 PolarHBondContact O-N 2.94Å; P267-T270 PolarHBondContact O-N 2.91Å; P267-T270 PolarHBondContact O-OG1 3.01Å
268	K	31.5	Very low	36.3	Very low	200 Å²	200	114.5 Å²	114.5	87%	0.87	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-53.4	-16.8	-175.2	-76.8	-175.1	174.2	-178.9	0	115.3	I266 T270 R271	I266-K268 PolarHBondContact O-N 2.78Å; K268-T270 VanDerWaalsContact C-N 3.27Å; K268-T270 PolarHBondContact O-N 3.38Å; K268-R271 VanDerWaalsContact O-CB 3.31Å; K268-R271 WeakPolarHBondContact O-CB 3.42Å; K268-R271 PolarHBondContact O-N 2.75Å; K268-R271 VanDerWaalsContact O-N 3.13Å
269	K	32.5	Very low	36.3	Very low	213 Å²	213	118.1 Å²	118.1	93%	0.926	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-70.2	-12.7	172.8	-74.4	-165.3	171.9	-169.6	0	114.9	P267	P267-K269 PolarHBondContact O-N 2.94Å
270	T	33	Very low	35.8	Very low	93 Å²	93	118.9 Å²	118.9	57%	0.571	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-100.1	25.2	166.1	67.7	0	0	0	0	112.3	I266 P267 K268 L272	I266-T270 WeakPolarHBondContact CG2-OG1 3.29Å; P267-T270 PolarHBondContact O-N 2.91Å; P267-T270 PolarHBondContact O-OG1 3.01Å; K268-T270 VanDerWaalsContact C-N 3.27Å; K268-T270 PolarHBondContact O-N 3.38Å; T270-L272 PolarHBondContact O-N 2.91Å
271	R	26.9	Very low	35.6	Very low	225 Å²	225	122.8 Å²	122.8	85%	0.849	63%	0.634	S	S	*	*			trans	-71	90.6	153.3	-171	-176	-161.2	-169.1	5.6	106	K268	K268-R271 VanDerWaalsContact O-CB 3.31Å; K268-R271 WeakPolarHBondContact O-CB 3.42Å; K268-R271 PolarHBondContact O-N 2.75Å; K268-R271 VanDerWaalsContact O-N 3.13Å
272	L	34.4	Very low	35.5	Very low	137 Å²	137	126.4 Å²	126.4	72%	0.717	65%	0.653	S	S	*	*			trans	-51.2	142.3	174.4	-143.5	77.3	0	0	0	108.8	T270 V275	T270-L272 PolarHBondContact O-N 2.91Å; L272-V275 HydrophobicContact CD2-CB 4.46Å; L272-V275 HydrophobicContact CD2-CG2 4.09Å
273	E	33.9	Very low	35.4	Very low	174 Å²	174	126.2 Å²	126.2	81%	0.813	65%	0.652	S	S	*	*			trans	-57.8	162.2	161.5	-70.1	171.6	115.6	0	0	109.5	V275	E273-V275 PolarHBondContact O-N 2.89Å
274	K	33.6	Very low	35.5	Very low	183 Å²	183	126.5 Å²	126.5	80%	0.796	66%	0.659	S	S	*	*			trans	-67.4	83.6	172.3	-75.5	-171.4	175.6	-171.4	0	109.7	D276	K274-D276 PolarHBondContact O-N 3.37Å
275	V	39.7	Very low	35.5	Very low	105 Å²	105	124 Å²	124	64%	0.636	65%	0.651	S	S	*	*			trans	-76.6	86.1	160.5	-175.4	0	0	0	0	105.6	L272 E273 C277	L272-V275 HydrophobicContact CD2-CB 4.46Å; L272-V275 HydrophobicContact CD2-CG2 4.09Å; E273-V275 PolarHBondContact O-N 2.89Å; V275-C277 HydrophobicContact CG1-CB 4.42Å; V275-C277 PolarHBondContact O-N 3.43Å
276	D	34.8	Very low	35.3	Very low	119 Å²	119	127 Å²	127	64%	0.636	66%	0.662	S	S	*	*			trans	-71.9	68.4	179	-68.6	-33.3	0	0	0	109.7	K274 N278	K274-D276 PolarHBondContact O-N 3.37Å; D276-N278 PolarHBondContact O-N 3.13Å
277	C	36.1	Very low	35.8	Very low	65 Å²	65	126.1 Å²	126.1	44%	0.439	66%	0.658	S	S	.	*			trans	-77.7	85.9	177.5	-174.6	0	0	0	0	109.3	V275 D279 C280	V275-C277 HydrophobicContact CG1-CB 4.42Å; V275-C277 PolarHBondContact O-N 3.43Å; C277-D279 PolarHBondContact O-N 3Å; C277-C280 HydrophobicContact CB-CB 4.26Å; C277-C280 PolarHBondContact O-N 3.4Å; C277-C280 PolarHBondContact O-SG 3.31Å
278	N	39.3	Very low	36.2	Very low	131 Å²	131	126.6 Å²	126.6	70%	0.701	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.9	-22.5	-178.3	-73.5	-25.5	0	0	0	113.9	D276 M281	D276-N278 PolarHBondContact O-N 3.13Å; N278-M281 WeakPolarHBondContact O-CE 3.46Å
279	D	42.2	Very low	36.4	Very low	152 Å²	152	118.2 Å²	118.2	81%	0.813	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-14.9	177.7	-63.9	-56.2	0	0	0	114.4	C277 M281	C277-D279 PolarHBondContact O-N 3Å; D279-M281 PolarHBondContact O-N 2.72Å
280	C	35.7	Very low	36.5	Very low	79 Å²	79	113.7 Å²	113.7	53%	0.534	61%	0.611	S	S	.	*			trans	-81.2	52.2	-179.1	80.2	0	0	0	0	113.3	C277 L282	C277-C280 HydrophobicContact CB-CB 4.26Å; C277-C280 PolarHBondContact O-N 3.4Å; C277-C280 PolarHBondContact O-SG 3.31Å; C280-L282 PolarHBondContact O-N 2.98Å
281	M	36.3	Very low	36.9	Very low	142 Å²	142	114.3 Å²	114.3	70%	0.7	61%	0.606	S	S	*	*			trans	-71.5	48.5	173.4	-66	-70.9	172.8	0	0	112.4	N278 D279	N278-M281 WeakPolarHBondContact O-CE 3.46Å; D279-M281 PolarHBondContact O-N 2.72Å
282	L	36.5	Very low	37.5	Very low	104 Å²	104	106.5 Å²	106.5	55%	0.545	58%	0.581	S	S	.	*			trans	-73	128.6	164.1	-72.5	172.1	0	0	0	108	C280 A284 L287	C280-L282 PolarHBondContact O-N 2.98Å; L282-A284 PolarHBondContact O-N 2.9Å; L282-L287 HydrophobicContact CD1-CD1 3.92Å
283	N	39	Very low	37.8	Very low	108 Å²	108	105.6 Å²	105.6	58%	0.578	58%	0.575	S	S	*	*			trans	-55.6	128.3	178.2	-101.6	-32.6	0	0	0	109.7	A285 E286 L287	N283-A285 PolarHBondContact O-N 3.22Å; N283-E286 HydrophobicContact CB-CG 4.41Å; N283-E286 PolarHBondContact O-N 3.39Å; N283-L287 PolarHBondContact O-N 3.26Å
284	A	40.7	Very low	38.1	Very low	73 Å²	73	100.9 Å²	100.9	60%	0.603	56%	0.562	S	S	*	*	H	α-helix	trans	-55.1	-30.7	-177.3	0	0	0	0	0	111.9	L282 L288	L282-A284 PolarHBondContact O-N 2.9Å; A284-L288 VanDerWaalsContact O-CB 3.3Å; A284-L288 WeakPolarHBondContact O-CB 3.28Å; A284-L288 WeakPolarHBondContact O-CD1 3.49Å; A284-L288 PolarHBondContact O-N 3.31Å
285	A	38.4	Very low	38.4	Very low	76 Å²	76	95 Å²	95	63%	0.628	53%	0.534	S	S	*	.	H	α-helix	trans	-64.8	-37.8	173.8	0	0	0	0	0	114.5	N283 L288 G289	N283-A285 PolarHBondContact O-N 3.22Å; A285-L288 WeakPolarHBondContact O-CB 3.36Å; A285-G289 PolarHBondContact O-N 3.36Å
286	E	34.8	Very low	38.4	Very low	107 Å²	107	94.5 Å²	94.5	50%	0.5	52%	0.524	S	S	.	.	H	α-helix	trans	-80.8	-37.8	177.7	-68.7	-175.6	116.2	0	0	111.7	N283 L288 G289 N290	N283-E286 HydrophobicContact CB-CG 4.41Å; N283-E286 PolarHBondContact O-N 3.39Å; E286-L288 PolarHBondContact O-N 2.95Å; E286-G289 PolarHBondContact O-N 3.13Å; E286-N290 PolarHBondContact O-N 3.21Å
287	L	41.4	Very low	38.8	Very low	74 Å²	74	92.6 Å²	92.6	39%	0.387	51%	0.51	S	S	.	.	H	α-helix	trans	-63.3	-33.1	170.2	-159.4	76.4	0	0	0	110.5	L282 N283 K291	L282-L287 HydrophobicContact CD1-CD1 3.92Å; N283-L287 PolarHBondContact O-N 3.26Å; L287-K291 HydrophobicContact CG-CD 4.32Å; L287-K291 WeakPolarHBondContact O-CB 3.2Å; L287-K291 VanDerWaalsContact O-CD 3.26Å; L287-K291 WeakPolarHBondContact O-CD 3.24Å; L287-K291 WeakPolarHBondContact O-CG 3.29Å; L287-K291 PolarHBondContact O-N 3.01Å
288	L	40.9	Very low	39.1	Very low	99 Å²	99	93.5 Å²	93.5	52%	0.518	51%	0.51	S	S	.	.	H	α-helix	trans	-66.1	-49.1	164.7	-107.4	70.7	0	0	0	111.6	A284 A285 E286 N290 K291 L292	A284-L288 VanDerWaalsContact O-CB 3.3Å; A284-L288 WeakPolarHBondContact O-CB 3.28Å; A284-L288 WeakPolarHBondContact O-CD1 3.49Å; A284-L288 PolarHBondContact O-N 3.31Å; A285-L288 WeakPolarHBondContact O-CB 3.36Å; E286-L288 PolarHBondContact O-N 2.95Å; L288-N290 PolarHBondContact O-N 2.89Å; L288-K291 CarbonylContact O-C 3.33Å; L288-K291 WeakPolarHBondContact O-CA 3.39Å; L288-K291 PolarHBondContact O-N 3.42Å; L288-K291 VanDerWaalsContact O-N 3.12Å; L288-L292 HydrophobicContact CB-CD1 4.25Å; L288-L292 VanDerWaalsContact O-CB 3.27Å; L288-L292 WeakPolarHBondContact O-CB 3.4Å; L288-L292 WeakPolarHBondContact O-CG 3.17Å; L288-L292 PolarHBondContact O-N 3.19Å
289	G	34.8	Very low	39.2	Very low	24 Å²	24	87.8 Å²	87.8	25%	0.247	48%	0.48	C	S	.	.	H	α-helix	trans	-55.4	-53	-175.8	0	0	0	0	0	112.5	A285 E286 K291 L292 I293	A285-G289 PolarHBondContact O-N 3.36Å; E286-G289 PolarHBondContact O-N 3.13Å; G289-K291 PolarHBondContact O-N 3.3Å; G289-L292 WeakPolarHBondContact O-CB 3.44Å; G289-L292 PolarHBondContact O-N 2.92Å; G289-L292 VanDerWaalsContact O-N 3.1Å; G289-I293 WeakPolarHBondContact O-CG1 3.25Å; G289-I293 PolarHBondContact O-N 3.35Å
290	N	35.5	Very low	39.3	Very low	117 Å²	117	85.5 Å²	85.5	63%	0.626	47%	0.467	S	S	*	.	H	α-helix	trans	-66.6	-37	175.5	-76.5	-28.3	0	0	0	112.1	E286 L288 L292 S294	E286-N290 PolarHBondContact O-N 3.21Å; L288-N290 PolarHBondContact O-N 2.89Å; N290-L292 VanDerWaalsContact C-N 3.26Å; N290-L292 PolarHBondContact O-N 3.48Å; N290-S294 VanDerWaalsContact O-CB 3.23Å; N290-S294 WeakPolarHBondContact O-CB 3.4Å; N290-S294 PolarHBondContact O-N 3.44Å; N290-S294 PolarHBondContact O-OG 3.06Å
291	K	40	Very low	39.9	Very low	106 Å²	106	85.1 Å²	85.1	46%	0.461	46%	0.463	S	S	.	.	H	α-helix	trans	-70.7	-14.4	171.7	-72.2	173.8	-176.7	170.2	0	114.1	L287 L288 G289 R295	L287-K291 HydrophobicContact CG-CD 4.32Å; L287-K291 WeakPolarHBondContact O-CB 3.2Å; L287-K291 VanDerWaalsContact O-CD 3.26Å; L287-K291 WeakPolarHBondContact O-CD 3.24Å; L287-K291 WeakPolarHBondContact O-CG 3.29Å; L287-K291 PolarHBondContact O-N 3.01Å; L288-K291 CarbonylContact O-C 3.33Å; L288-K291 WeakPolarHBondContact O-CA 3.39Å; L288-K291 PolarHBondContact O-N 3.42Å; L288-K291 VanDerWaalsContact O-N 3.12Å; G289-K291 PolarHBondContact O-N 3.3Å; K291-R295 VanDerWaalsContact O-CD 3.24Å; K291-R295 WeakPolarHBondContact O-CD 3.45Å; K291-R295 WeakPolarHBondContact O-CG 3.3Å; K291-R295 PolarHBondContact O-NE 3.43Å
292	L	40.8	Very low	40.5	Very low	61 Å²	61	80.4 Å²	80.4	32%	0.319	44%	0.441	S	S	.	.	H	α-helix	trans	-90.8	-46.4	175.9	-79	164.4	0	0	0	109.6	L288 G289 N290 S294 R295 F296	L288-L292 HydrophobicContact CB-CD1 4.25Å; L288-L292 VanDerWaalsContact O-CB 3.27Å; L288-L292 WeakPolarHBondContact O-CB 3.4Å; L288-L292 WeakPolarHBondContact O-CG 3.17Å; L288-L292 PolarHBondContact O-N 3.19Å; G289-L292 WeakPolarHBondContact O-CB 3.44Å; G289-L292 PolarHBondContact O-N 2.92Å; G289-L292 VanDerWaalsContact O-N 3.1Å; N290-L292 VanDerWaalsContact C-N 3.26Å; N290-L292 PolarHBondContact O-N 3.48Å; L292-S294 VanDerWaalsContact C-N 3.29Å; L292-S294 PolarHBondContact O-N 3.44Å; L292-R295 WeakPolarHBondContact O-CB 3.22Å; L292-R295 PolarHBondContact O-N 3.33Å; L292-F296 WeakPolarHBondContact O-CD2 3.25Å; L292-F296 WeakPolarHBondContact O-CE2 3.28Å
293	I	40.5	Very low	41	Very low	118 Å²	118	78.4 Å²	78.4	61%	0.605	43%	0.432	S	S	*	.	H	α-helix	trans	-57.6	-45.5	171.8	-66	166.6	0	0	0	109.6	G289 R295 F296	G289-I293 WeakPolarHBondContact O-CG1 3.25Å; G289-I293 PolarHBondContact O-N 3.35Å; I293-R295 PolarHBondContact O-N 3.05Å; I293-R295 VanDerWaalsContact O-N 3.11Å; I293-F296 PolarHBondContact O-N 3.46Å
294	S	40.1	Very low	41.6	Very low	75 Å²	75	73.6 Å²	73.6	52%	0.524	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	0.8	176	85.2	0	0	0	0	115.1	N290 L292 F297	N290-S294 VanDerWaalsContact O-CB 3.23Å; N290-S294 WeakPolarHBondContact O-CB 3.4Å; N290-S294 PolarHBondContact O-N 3.44Å; N290-S294 PolarHBondContact O-OG 3.06Å; L292-S294 VanDerWaalsContact C-N 3.29Å; L292-S294 PolarHBondContact O-N 3.44Å; S294-F297 WeakPolarHBondContact O-CE2 3.39Å
295	R	38.1	Very low	41.8	Very low	59 Å²	59	74.4 Å²	74.4	22%	0.223	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-14.2	168.1	-74.3	164.5	-161	-179.3	4.7	112.8	N260 I261 K291 L292 I293 F297	N260-R295 VanDerWaalsContact OD1-CB 3.29Å; N260-R295 WeakPolarHBondContact OD1-CB 3.4Å; I261-R295 PolarHBondContact N-O 3.38Å; I261-R295 WeakPolarHBondContact O-CD 3.34Å; I261-R295 WeakPolarHBondContact O-CG 3.19Å; K291-R295 VanDerWaalsContact O-CD 3.24Å; K291-R295 WeakPolarHBondContact O-CD 3.45Å; K291-R295 WeakPolarHBondContact O-CG 3.3Å; K291-R295 PolarHBondContact O-NE 3.43Å; L292-R295 WeakPolarHBondContact O-CB 3.22Å; L292-R295 PolarHBondContact O-N 3.33Å; I293-R295 PolarHBondContact O-N 3.05Å; I293-R295 VanDerWaalsContact O-N 3.11Å; R295-F297 PolarHBondContact O-N 3.12Å
296	F	40.5	Very low	42	Very low	96 Å²	96	74.9 Å²	74.9	42%	0.421	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	98.6	177	-70.4	-79.4	0	0	0	110.3	L258 I259 N260 L292 I293	L258-F296 HydrophobicContact CB-CB 4.5Å; L258-F296 HydrophobicContact CB-CD1 4.12Å; L258-F296 HydrophobicContact CD2-CB 4.49Å; I259-F296 WeakPolarHBondContact O-CA 3.48Å; N260-F296 HydrophobicContact CB-CD1 4.05Å; N260-F296 HydrophobicContact CB-CE1 3.7Å; N260-F296 HydrophobicContact CB-CZ 4.12Å; L292-F296 WeakPolarHBondContact O-CD2 3.25Å; L292-F296 WeakPolarHBondContact O-CE2 3.28Å; I293-F296 PolarHBondContact O-N 3.46Å
297	F	43.2	Very low	42.4	Very low	79 Å²	79	75.4 Å²	75.4	35%	0.346	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	148.2	171.3	-71.3	-91.8	0	0	0	110.8	I259 I261 S294 R295 P299 Q339	I259-F297 PolarHBondContact N-O 2.87Å; I259-F297 PolarHBondContact O-N 2.82Å; I259-F297 VanDerWaalsContact O-N 3.15Å; I261-F297 HydrophobicContact CD1-CD2 3.38Å; I261-F297 HydrophobicContact CD1-CE2 3.83Å; I261-F297 HydrophobicContact CD1-CG 4.24Å; I261-F297 HydrophobicContact CG1-CD2 4.12Å; S294-F297 WeakPolarHBondContact O-CE2 3.39Å; R295-F297 PolarHBondContact O-N 3.12Å; F297-P299 WeakPolarHBondContact O-CD 3.31Å; F297-Q339 HydrophobicContact CD1-CG 4.26Å; F297-Q339 HydrophobicContact CG-CG 4.27Å
298	I	42.2	Very low	42.5	Very low	83 Å²	83	76.2 Å²	76.2	43%	0.426	42%	0.415	S	S	.	.			trans	-79	114.5	159	-66.8	176.8	0	0	0	106.2	Q256 L258	Q256-I298 HydrophobicContact CB-CG2 4.04Å; Q256-I298 VanDerWaalsContact CD-CG2 3.47Å; Q256-I298 HydrophobicContact CG-CG2 4.27Å; L258-I298 HydrophobicContact CD2-CG1 3.62Å
299	P	41.3	Very low	42.7	Very low	11 Å²	11	73.1 Å²	73.1	7%	0.071	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-70.1	137.3	178.7	-15.2	29.9	0	0	0	110.8	K257 I259 F297 Q339 T341	K257-P299 WeakPolarHBondContact O-CD 3.27Å; I259-P299 HydrophobicContact CB-CG 4.18Å; I259-P299 HydrophobicContact CD1-CG 3.52Å; I259-P299 HydrophobicContact CG1-CG 3.69Å; F297-P299 WeakPolarHBondContact O-CD 3.31Å; P299-Q339 WeakPolarHBondContact CA-O 3.4Å; P299-T341 WeakPolarHBondContact CB-OG1 3.5Å
300	L	44	Very low	43.6	Very low	105 Å²	105	80.7 Å²	80.7	55%	0.55	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	125.2	168.3	-61.5	174.9	0	0	0	109	V302 Q339 L340 T341	L300-V302 PolarHBondContact O-N 3.43Å; L300-Q339 PolarHBondContact N-O 3.04Å; L300-L340 HydrophobicContact CB-CD2 3.9Å; L300-L340 HydrophobicContact CD1-CD2 4.49Å; L300-L340 CarbonylContact O-C 3.35Å; L300-L340 WeakPolarHBondContact O-CA 3.35Å; L300-T341 PolarHBondContact O-N 3.13Å
301	T	48.4	Very low	44.6	Very low	71 Å²	71	78.9 Å²	78.9	44%	0.436	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	117.8	175.3	33.5	0	0	0	0	110.3	T341	T301-T341 WeakPolarHBondContact CA-O 3.35Å
302	V	48.7	Very low	45.6	Very low	42 Å²	42	75.8 Å²	75.8	26%	0.255	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	124.8	174.6	-177	0	0	0	0	108.3	L300 I304 L340 T341 G343	L300-V302 PolarHBondContact O-N 3.43Å; V302-I304 PolarHBondContact O-N 3.22Å; V302-L340 HydrophobicContact CG2-CB 4.04Å; V302-L340 HydrophobicContact CG2-CD1 4.2Å; V302-L340 HydrophobicContact CG2-CD2 3.98Å; V302-L340 HydrophobicContact CG2-CG 4.29Å; V302-T341 PolarHBondContact N-O 3.31Å; V302-G343 PolarHBondContact O-N 3.01Å; V302-G343 VanDerWaalsContact O-N 3.07Å
303	N	48.3	Very low	46.4	Very low	63 Å²	63	75.3 Å²	75.3	34%	0.337	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	113.1	176.9	-176.7	37.7	0	0	0	110.4	F305 G343 I345	N303-F305 PolarHBondContact ND2-O 3.4Å; N303-F305 PolarHBondContact OD1-N 3.33Å; N303-G343 WeakPolarHBondContact CA-O 3.47Å; N303-I345 HydrophobicContact CB-CD1 4.2Å; N303-I345 HydrophobicContact CB-CG1 4.43Å
304	I	50.4	Low	47.6	Very low	6 Å²	6	74.3 Å²	74.3	3%	0.031	41%	0.407	C	S	.	.			trans	-80.1	-25.5	179.9	-25.6	168.5	0	0	0	111.8	V302 F317 L329 P342	V302-I304 PolarHBondContact O-N 3.22Å; I304-F317 HydrophobicContact CG2-CD2 4.23Å; I304-F317 HydrophobicContact CG2-CE2 4.06Å; I304-F317 WeakPolarHBondContact O-CE2 3.35Å; I304-L329 HydrophobicContact CD1-CD2 4.31Å; I304-L329 HydrophobicContact CG2-CD2 3.82Å; I304-P342 HydrophobicContact CD1-CB 3.53Å; I304-P342 HydrophobicContact CG1-CB 4.04Å
305	F	45.1	Very low	48.9	Very low	91 Å²	91	71.5 Å²	71.5	40%	0.399	39%	0.387	S	S	.	.			trans	-104	83.5	-173.9	-72.9	-84.7	0	0	0	110.3	N303 P313 R344	N303-F305 PolarHBondContact ND2-O 3.4Å; N303-F305 PolarHBondContact OD1-N 3.33Å; F305-P313 HydrophobicContact CD1-CB 4.46Å; F305-P313 HydrophobicContact CE1-CB 3.63Å; F305-P313 HydrophobicContact CZ-CB 3.98Å; F305-R344 HydrophobicContact CD2-CG 4.21Å
306	D	43.5	Very low	50.3	Low	86 Å²	86	68.7 Å²	68.7	46%	0.46	38%	0.376	S	S	.	.			trans	-100.4	105	157.5	-163.1	-32.2	0	0	0	109.7	S308 S309	D306-S308 VanDerWaalsContact CG-OG 3.32Å; D306-S308 PolarHBondContact O-N 3.11Å; D306-S308 VanDerWaalsContact O-N 3.1Å; D306-S308 WeakPolarHBondContact OD1-CB 3.41Å; D306-S308 PolarHBondContact OD1-N 3.21Å; D306-S308 PolarHBondContact OD1-OG 3.15Å; D306-S309 PolarHBondContact O-N 2.85Å; D306-S309 VanDerWaalsContact O-N 3.1Å; D306-S309 PolarHBondContact O-OG 3.43Å
307	S	43.2	Very low	51.4	Low	118 Å²	118	68 Å²	68	83%	0.825	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-12.6	-178.6	-49.4	0	0	0	0	114.2	S309	S307-S309 VanDerWaalsContact C-N 3.33Å
308	S	44	Very low	52.2	Low	91 Å²	91	67.6 Å²	67.6	64%	0.636	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-8	175.9	67.5	0	0	0	0	113.9	D306	D306-S308 VanDerWaalsContact CG-OG 3.32Å; D306-S308 PolarHBondContact O-N 3.11Å; D306-S308 VanDerWaalsContact O-N 3.1Å; D306-S308 WeakPolarHBondContact OD1-CB 3.41Å; D306-S308 PolarHBondContact OD1-N 3.21Å; D306-S308 PolarHBondContact OD1-OG 3.15Å
309	S	45.1	Very low	53.5	Low	34 Å²	34	66.5 Å²	66.5	24%	0.238	38%	0.377	C	S	.	.			trans	-102.4	129.8	-178.5	69.5	0	0	0	0	112.1	D306 S307 I311	D306-S309 PolarHBondContact O-N 2.85Å; D306-S309 VanDerWaalsContact O-N 3.1Å; D306-S309 PolarHBondContact O-OG 3.43Å; S307-S309 VanDerWaalsContact C-N 3.33Å; S309-I311 PolarHBondContact O-N 2.86Å
310	N	52.7	Low	54.6	Low	182 Å²	182	68.4 Å²	68.4	97%	0.973	40%	0.398	S	S	*	.			trans	-73	24.6	169.5	-75.5	-13.6	0	0	0	112.6
311	I	56.2	Low	55.8	Low	80 Å²	80	68.5 Å²	68.5	41%	0.41	40%	0.396	S	S	.	.	S	Bend	trans	-88.5	132.1	179.7	-64.8	173.5	0	0	0	106.9	S309 T315 F317	S309-I311 PolarHBondContact O-N 2.86Å; I311-T315 VanDerWaalsContact CG2-CB 3.49Å; I311-T315 HydrophobicContact CG2-CG2 4.08Å; I311-T315 WeakPolarHBondContact CG2-OG1 3.5Å; I311-F317 HydrophobicContact CB-CZ 4.26Å; I311-F317 HydrophobicContact CD1-CD1 4.38Å; I311-F317 HydrophobicContact CD1-CE1 3.8Å; I311-F317 HydrophobicContact CD1-CZ 4.39Å; I311-F317 HydrophobicContact CG2-CE1 4.3Å; I311-F317 HydrophobicContact CG2-CE2 4.26Å; I311-F317 HydrophobicContact CG2-CZ 3.94Å
312	S	60.8	Low	56.9	Low	40 Å²	40	70.3 Å²	70.3	28%	0.28	41%	0.406	S	S	.	.			trans	-59.3	145.6	180	91	0	0	0	0	110.7	Y314 T315	S312-Y314 PolarHBondContact O-N 2.84Å; S312-Y314 PolarHBondContact OG-N 3.39Å; S312-T315 WeakPolarHBondContact CB-OG1 2.96Å; S312-T315 PolarHBondContact N-OG1 3.25Å; S312-T315 WeakPolarHBondContact O-CB 3.22Å; S312-T315 PolarHBondContact O-N 3.5Å; S312-T315 PolarHBondContact O-OG1 3.25Å; S312-T315 PolarHBondContact OG-N 3.12Å; S312-T315 PolarHBondContact OG-OG1 3.21Å
313	P	58.1	Low	58	Low	51 Å²	51	69.5 Å²	69.5	33%	0.331	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-8.9	-179.8	28.1	-36.4	0	0	0	113.4	F305	F305-P313 HydrophobicContact CD1-CB 4.46Å; F305-P313 HydrophobicContact CE1-CB 3.63Å; F305-P313 HydrophobicContact CZ-CB 3.98Å
314	Y	66.7	Low	59.3	Low	97 Å²	97	75.9 Å²	75.9	38%	0.38	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	6.2	177.4	-47.6	-51.2	0	0	0	112.8	S312 N323 Q326	S312-Y314 PolarHBondContact O-N 2.84Å; S312-Y314 PolarHBondContact OG-N 3.39Å; Y314-N323 WeakPolarHBondContact CB-O 3.17Å; Y314-N323 WeakPolarHBondContact O-CB 3.14Å; Y314-N323 PolarHBondContact O-N 3.05Å; Y314-N323 PolarHBondContact O-ND2 2.76Å; Y314-Q326 HydrophobicContact CE1-CB 4.26Å
315	T	67.2	Low	60.3	Low	16 Å²	16	77.6 Å²	77.6	10%	0.098	44%	0.438	C	S	.	.	B	Isolated β-bridge	trans	-82.1	131	175.6	-31.9	0	0	0	0	110.3	I311 S312 F317 G320 Q321 V322	I311-T315 VanDerWaalsContact CG2-CB 3.49Å; I311-T315 HydrophobicContact CG2-CG2 4.08Å; I311-T315 WeakPolarHBondContact CG2-OG1 3.5Å; S312-T315 WeakPolarHBondContact CB-OG1 2.96Å; S312-T315 PolarHBondContact N-OG1 3.25Å; S312-T315 WeakPolarHBondContact O-CB 3.22Å; S312-T315 PolarHBondContact O-N 3.5Å; S312-T315 PolarHBondContact O-OG1 3.25Å; S312-T315 PolarHBondContact OG-N 3.12Å; S312-T315 PolarHBondContact OG-OG1 3.21Å; T315-F317 PolarHBondContact O-N 3.38Å; T315-G320 WeakPolarHBondContact CG2-O 3.37Å; T315-Q321 CarbonylContact C-O 3.15Å; T315-Q321 WeakPolarHBondContact CA-O 3.37Å; T315-V322 HydrophobicContact CG2-CG2 4.05Å
316	C	67.4	Low	61.4	Low	0 Å²	0	76 Å²	76	0%	0	43%	0.432	C	S	.	.			trans	-74	114.5	169.9	-175.6	0	0	0	0	110.5	V318 C319 G320 Q321 L329 H332 F333 H337	C316-V318 PolarHBondContact O-N 2.95Å; C316-C319 PolarHBondContact O-N 3.47Å; C316-G320 WeakPolarHBondContact O-CA 3.21Å; C316-G320 PolarHBondContact O-N 3.03Å; C316-Q321 PolarHBondContact N-O 3.07Å; C316-L329 HydrophobicContact CB-CD1 3.96Å; C316-H332 WeakPolarHBondContact CB-NE2 3.44Å; C316-H332 PolarHBondContact SG-NE2 3.29Å; C316-F333 HydrophobicContact CB-CE2 4.45Å; C316-H337 PolarHBondContact SG-CD2 2.88Å
317	F	63.7	Low	62.7	Low	81 Å²	81	81.8 Å²	81.8	36%	0.355	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.4	177.5	-78	-97.8	0	0	0	114.7	I304 I311 T315	I304-F317 HydrophobicContact CG2-CD2 4.23Å; I304-F317 HydrophobicContact CG2-CE2 4.06Å; I304-F317 WeakPolarHBondContact O-CE2 3.35Å; I311-F317 HydrophobicContact CB-CZ 4.26Å; I311-F317 HydrophobicContact CD1-CD1 4.38Å; I311-F317 HydrophobicContact CD1-CE1 3.8Å; I311-F317 HydrophobicContact CD1-CZ 4.39Å; I311-F317 HydrophobicContact CG2-CE1 4.3Å; I311-F317 HydrophobicContact CG2-CE2 4.26Å; I311-F317 HydrophobicContact CG2-CZ 3.94Å; T315-F317 PolarHBondContact O-N 3.38Å
318	V	59.1	Low	64.1	Low	71 Å²	71	80.2 Å²	80.2	43%	0.43	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-33.5	-175.5	-169.4	0	0	0	0	112.4	C316 F333 H337 L340	C316-V318 PolarHBondContact O-N 2.95Å; V318-F333 HydrophobicContact CG2-CE1 4.13Å; V318-F333 HydrophobicContact CG2-CZ 4.37Å; V318-H337 VanDerWaalsContact CG1-CE1 3.5Å; V318-H337 WeakPolarHBondContact CG1-CE1 3.39Å; V318-L340 HydrophobicContact CG1-CD1 4.39Å; V318-L340 HydrophobicContact CG2-CD1 3.7Å
319	C	68.7	Low	65.3	Low	61 Å²	61	75.9 Å²	75.9	41%	0.412	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.6	-1.3	-177.1	69.9	0	0	0	0	114.9	C316 Q321 H332	C316-C319 PolarHBondContact O-N 3.47Å; C319-Q321 VanDerWaalsContact C-N 3.3Å; C319-Q321 PolarHBondContact O-N 3.32Å; C319-H332 PolarHBondContact SG-CE1 3.46Å; C319-H332 PolarHBondContact SG-NE2 3.16Å
320	G	65.9	Low	66.3	Low	50 Å²	50	78.3 Å²	78.3	52%	0.515	41%	0.406	S	S	.	.			trans	77.6	-1.2	178.6	0	0	0	0	0	116.1	T315 C316 V322	T315-G320 WeakPolarHBondContact CG2-O 3.37Å; C316-G320 WeakPolarHBondContact O-CA 3.21Å; C316-G320 PolarHBondContact O-N 3.03Å; G320-V322 PolarHBondContact O-N 3.02Å
321	Q	68.8	Low	67	Low	108 Å²	108	71.4 Å²	71.4	51%	0.505	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-67.3	122.8	-179.5	-77.2	-161.3	-19.7	0	0	112.7	T315 C316 C319 N323 H332	T315-Q321 CarbonylContact C-O 3.15Å; T315-Q321 WeakPolarHBondContact CA-O 3.37Å; C316-Q321 PolarHBondContact N-O 3.07Å; C319-Q321 VanDerWaalsContact C-N 3.3Å; C319-Q321 PolarHBondContact O-N 3.32Å; Q321-N323 PolarHBondContact O-ND2 2.97Å; Q321-H332 PolarHBondContact OE1-CE1 3.29Å; Q321-H332 PolarHBondContact OE1-ND1 2.99Å
322	V	71	Confident	68	Low	108 Å²	108	68.2 Å²	68.2	66%	0.655	36%	0.355	S	S	*	.	B	Isolated β-bridge	trans	-78.4	118.8	170.1	-173.4	0	0	0	0	109.4	T315 G320	T315-V322 HydrophobicContact CG2-CG2 4.05Å; G320-V322 PolarHBondContact O-N 3.02Å
323	N	72.6	Confident	68.1	Low	26 Å²	26	66.4 Å²	66.4	14%	0.139	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-96.4	158.1	174.6	-68.3	-89.6	0	0	0	111	Y314 Q321 L328 L329	Y314-N323 WeakPolarHBondContact CB-O 3.17Å; Y314-N323 WeakPolarHBondContact O-CB 3.14Å; Y314-N323 PolarHBondContact O-N 3.05Å; Y314-N323 PolarHBondContact O-ND2 2.76Å; Q321-N323 PolarHBondContact O-ND2 2.97Å; N323-L328 HydrophobicContact CB-CB 4.15Å; N323-L328 PolarHBondContact OD1-O 2.92Å; N323-L329 HydrophobicContact CB-CB 4.22Å
324	K	74.4	Confident	68.3	Low	196 Å²	196	70.3 Å²	70.3	85%	0.852	36%	0.357	S	S	*	.	S	Bend	trans	-82.6	-11.6	180	-61.8	-175.2	179	-176.7	0	114.3	L328	K324-L328 HydrophobicContact CB-CD1 3.9Å
325	S	71.3	Confident	68.1	Low	43 Å²	43	73.9 Å²	73.9	30%	0.301	37%	0.369	S	S	.	.	S	Bend	trans	-163.5	164	179.5	70.6	0	0	0	0	112.2	R327 L328 L329	S325-R327 PolarHBondContact O-N 2.85Å; S325-L328 PolarHBondContact O-N 2.96Å; S325-L328 VanDerWaalsContact O-N 3.13Å; S325-L328 WeakPolarHBondContact OG-CG 3.19Å; S325-L328 PolarHBondContact OG-N 3.34Å; S325-L329 PolarHBondContact O-N 3.39Å
326	Q	68.3	Low	67.9	Low	57 Å²	57	78.5 Å²	78.5	27%	0.266	39%	0.391	S	S	.	.	H	α-helix	trans	-57.2	-43.2	175	179.2	60.6	21.3	0	0	112.8	Y314 L328 L329 E330	Y314-Q326 HydrophobicContact CE1-CB 4.26Å; Q326-L328 VanDerWaalsContact C-N 3.28Å; Q326-L328 PolarHBondContact O-N 2.95Å; Q326-L329 WeakPolarHBondContact O-CB 3.43Å; Q326-L329 PolarHBondContact O-N 2.81Å; Q326-L329 VanDerWaalsContact O-N 3.15Å; Q326-E330 WeakPolarHBondContact CG-OE1 3.36Å; Q326-E330 PolarHBondContact NE2-OE1 3.41Å; Q326-E330 WeakPolarHBondContact O-CG 3.45Å; Q326-E330 PolarHBondContact O-N 3Å
327	R	70.9	Confident	67.8	Low	207 Å²	207	80.2 Å²	80.2	78%	0.781	40%	0.399	S	S	*	.	H	α-helix	trans	-62.6	-34	176.3	-71.7	-175	179.5	175.2	0.5	112.7	S325 S331	S325-R327 PolarHBondContact O-N 2.85Å; R327-S331 WeakPolarHBondContact O-CB 3.2Å; R327-S331 PolarHBondContact O-N 2.6Å
328	L	72.3	Confident	67.2	Low	85 Å²	85	77.6 Å²	77.6	45%	0.445	39%	0.39	S	S	.	.	H	α-helix	trans	-74	-36.9	174.6	-71.7	170.5	0	0	0	111.5	N323 K324 S325 Q326 S331 H332	N323-L328 HydrophobicContact CB-CB 4.15Å; N323-L328 PolarHBondContact OD1-O 2.92Å; K324-L328 HydrophobicContact CB-CD1 3.9Å; S325-L328 PolarHBondContact O-N 2.96Å; S325-L328 VanDerWaalsContact O-N 3.13Å; S325-L328 WeakPolarHBondContact OG-CG 3.19Å; S325-L328 PolarHBondContact OG-N 3.34Å; Q326-L328 VanDerWaalsContact C-N 3.28Å; Q326-L328 PolarHBondContact O-N 2.95Å; L328-S331 PolarHBondContact O-N 3.22Å; L328-H332 WeakPolarHBondContact O-CB 3.35Å; L328-H332 PolarHBondContact O-N 3.3Å
329	L	70.1	Confident	66.8	Low	0 Å²	0	79.2 Å²	79.2	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-62.4	-43.6	171.3	-177.8	63.7	0	0	0	111.6	I304 C316 N323 S325 Q326 H332 F333	I304-L329 HydrophobicContact CD1-CD2 4.31Å; I304-L329 HydrophobicContact CG2-CD2 3.82Å; C316-L329 HydrophobicContact CB-CD1 3.96Å; N323-L329 HydrophobicContact CB-CB 4.22Å; S325-L329 PolarHBondContact O-N 3.39Å; Q326-L329 WeakPolarHBondContact O-CB 3.43Å; Q326-L329 PolarHBondContact O-N 2.81Å; Q326-L329 VanDerWaalsContact O-N 3.15Å; L329-H332 WeakPolarHBondContact O-CB 3.36Å; L329-H332 PolarHBondContact O-N 3.22Å; L329-F333 HydrophobicContact CD1-CD2 3.84Å; L329-F333 HydrophobicContact CD1-CE2 3.75Å; L329-F333 HydrophobicContact CD2-CE2 4.45Å; L329-F333 HydrophobicContact CG-CD2 3.95Å; L329-F333 HydrophobicContact CG-CE2 4.03Å; L329-F333 WeakPolarHBondContact O-CD2 3.31Å; L329-F333 PolarHBondContact O-N 2.97Å
330	E	66.2	Low	65.9	Low	85 Å²	85	78.3 Å²	78.3	40%	0.397	38%	0.384	S	S	.	.	H	α-helix	trans	-61.1	-46.8	174.5	-76.5	159.4	-172.8	0	0	112	Q326 H332 F333 Q334 P342	Q326-E330 WeakPolarHBondContact CG-OE1 3.36Å; Q326-E330 PolarHBondContact NE2-OE1 3.41Å; Q326-E330 WeakPolarHBondContact O-CG 3.45Å; Q326-E330 PolarHBondContact O-N 3Å; E330-H332 VanDerWaalsContact C-N 3.31Å; E330-H332 PolarHBondContact O-N 3.33Å; E330-F333 PolarHBondContact O-N 3.09Å; E330-Q334 WeakPolarHBondContact O-CB 3.48Å; E330-Q334 PolarHBondContact O-N 2.97Å; E330-P342 HydrophobicContact CG-CG 3.88Å
331	S	68	Low	65.4	Low	38 Å²	38	78.1 Å²	78.1	27%	0.266	37%	0.373	S	S	.	.	H	α-helix	trans	-64.1	-36.4	174.9	-163.1	0	0	0	0	112.3	R327 L328 Q334 R335	R327-S331 WeakPolarHBondContact O-CB 3.2Å; R327-S331 PolarHBondContact O-N 2.6Å; L328-S331 PolarHBondContact O-N 3.22Å; S331-Q334 PolarHBondContact O-N 3.15Å; S331-R335 WeakPolarHBondContact O-CB 3.37Å; S331-R335 VanDerWaalsContact O-CG 3.23Å; S331-R335 WeakPolarHBondContact O-CG 3.32Å; S331-R335 PolarHBondContact O-N 3.09Å
332	H	76.7	Confident	64.5	Low	12 Å²	12	74 Å²	74	6%	0.056	36%	0.355	C	S	.	.	H	α-helix	trans	-63.5	-49.5	173.5	169	99.5	0	0	0	111.1	C316 C319 Q321 L328 L329 E330 Q334 R335 M336 H337	C316-H332 WeakPolarHBondContact CB-NE2 3.44Å; C316-H332 PolarHBondContact SG-NE2 3.29Å; C319-H332 PolarHBondContact SG-CE1 3.46Å; C319-H332 PolarHBondContact SG-NE2 3.16Å; Q321-H332 PolarHBondContact OE1-CE1 3.29Å; Q321-H332 PolarHBondContact OE1-ND1 2.99Å; L328-H332 WeakPolarHBondContact O-CB 3.35Å; L328-H332 PolarHBondContact O-N 3.3Å; L329-H332 WeakPolarHBondContact O-CB 3.36Å; L329-H332 PolarHBondContact O-N 3.22Å; E330-H332 VanDerWaalsContact C-N 3.31Å; E330-H332 PolarHBondContact O-N 3.33Å; H332-Q334 VanDerWaalsContact C-N 3.33Å; H332-Q334 PolarHBondContact O-N 3.36Å; H332-R335 PolarHBondContact O-N 2.91Å; H332-R335 VanDerWaalsContact O-N 3.12Å; H332-M336 WeakPolarHBondContact O-CB 3.31Å; H332-M336 PolarHBondContact O-N 2.9Å; H332-H337 AromaticContact NE2-CD2 3.64Å; H332-H337 AromaticContact NE2-NE2 3.65Å
333	F	63.3	Low	63.3	Low	3 Å²	3	69.4 Å²	69.4	1%	0.013	33%	0.33	C	S	.	.	H	α-helix	trans	-58.4	-45.3	174.7	-94.3	-87.5	0	0	0	111	C316 V318 L329 E330 R335 H337 P338 L340 P342	C316-F333 HydrophobicContact CB-CE2 4.45Å; V318-F333 HydrophobicContact CG2-CE1 4.13Å; V318-F333 HydrophobicContact CG2-CZ 4.37Å; L329-F333 HydrophobicContact CD1-CD2 3.84Å; L329-F333 HydrophobicContact CD1-CE2 3.75Å; L329-F333 HydrophobicContact CD2-CE2 4.45Å; L329-F333 HydrophobicContact CG-CD2 3.95Å; L329-F333 HydrophobicContact CG-CE2 4.03Å; L329-F333 WeakPolarHBondContact O-CD2 3.31Å; L329-F333 PolarHBondContact O-N 2.97Å; E330-F333 PolarHBondContact O-N 3.09Å; F333-R335 PolarHBondContact O-N 3.2Å; F333-H337 HydrophobicContact CD1-CB 3.84Å; F333-H337 HydrophobicContact CE1-CB 4.37Å; F333-H337 CarbonylContact O-C 2.94Å; F333-H337 VanDerWaalsContact O-CA 3.29Å; F333-H337 WeakPolarHBondContact O-CA 3.26Å; F333-H337 PolarHBondContact O-N 3.3Å; F333-P338 VanDerWaalsContact O-N 3.16Å; F333-L340 HydrophobicContact CD1-CB 3.99Å; F333-L340 WeakPolarHBondContact CD1-O 3.23Å; F333-L340 HydrophobicContact CE1-CB 3.96Å; F333-P342 HydrophobicContact CB-CG 3.92Å; F333-P342 HydrophobicContact CD2-CB 3.68Å; F333-P342 HydrophobicContact CD2-CG 3.79Å; F333-P342 HydrophobicContact CE2-CB 3.83Å; F333-P342 HydrophobicContact CE2-CG 4.44Å; F333-P342 HydrophobicContact CG-CB 4.12Å; F333-P342 HydrophobicContact CG-CG 3.87Å; F333-P342 HydrophobicContact CZ-CB 4.39Å
334	Q	61.6	Low	61.7	Low	133 Å²	133	76 Å²	76	62%	0.621	35%	0.353	S	S	*	.	H	α-helix	trans	-64.7	-22.8	178.5	-161.1	175.8	29.4	0	0	113.7	E330 S331 H332	E330-Q334 WeakPolarHBondContact O-CB 3.48Å; E330-Q334 PolarHBondContact O-N 2.97Å; S331-Q334 PolarHBondContact O-N 3.15Å; H332-Q334 VanDerWaalsContact C-N 3.33Å; H332-Q334 PolarHBondContact O-N 3.36Å
335	R	61.7	Low	60	Low	172 Å²	172	71.5 Å²	71.5	65%	0.649	34%	0.337	S	S	*	.	H	α-helix	trans	-98.3	-29.5	178.9	-73.4	175.4	178.9	-163.4	1.1	115.1	V265 S331 H332 F333	V265-R335 WeakPolarHBondContact CG1-O 3.49Å; S331-R335 WeakPolarHBondContact O-CB 3.37Å; S331-R335 VanDerWaalsContact O-CG 3.23Å; S331-R335 WeakPolarHBondContact O-CG 3.32Å; S331-R335 PolarHBondContact O-N 3.09Å; H332-R335 PolarHBondContact O-N 2.91Å; H332-R335 VanDerWaalsContact O-N 3.12Å; F333-R335 PolarHBondContact O-N 3.2Å
336	M	64.7	Low	58.2	Low	113 Å²	113	75.8 Å²	75.8	56%	0.557	35%	0.352	S	S	*	.	H	α-helix	trans	-114	-29	-172.3	-60.1	-57.7	-62.7	0	0	112.8	H332	H332-M336 WeakPolarHBondContact O-CB 3.31Å; H332-M336 PolarHBondContact O-N 2.9Å
337	H	63.9	Low	56.5	Low	35 Å²	35	78.6 Å²	78.6	16%	0.162	36%	0.363	C	S	.	.			trans	-137.8	49.1	-172.7	-55.2	-53.4	0	0	0	112	C316 V318 H332 F333 Q339 L340	C316-H337 PolarHBondContact SG-CD2 2.88Å; V318-H337 VanDerWaalsContact CG1-CE1 3.5Å; V318-H337 WeakPolarHBondContact CG1-CE1 3.39Å; H332-H337 AromaticContact NE2-CD2 3.64Å; H332-H337 AromaticContact NE2-NE2 3.65Å; F333-H337 HydrophobicContact CD1-CB 3.84Å; F333-H337 HydrophobicContact CE1-CB 4.37Å; F333-H337 CarbonylContact O-C 2.94Å; F333-H337 VanDerWaalsContact O-CA 3.29Å; F333-H337 WeakPolarHBondContact O-CA 3.26Å; F333-H337 PolarHBondContact O-N 3.3Å; H337-Q339 PolarHBondContact O-N 3.49Å; H337-L340 HydrophobicContact CB-CB 4.36Å; H337-L340 HydrophobicContact CB-CD1 4.28Å; H337-L340 WeakPolarHBondContact O-CA 3.41Å; H337-L340 WeakPolarHBondContact O-CB 3.5Å; H337-L340 PolarHBondContact O-N 3.09Å; H337-L340 VanDerWaalsContact O-O 3.11Å
338	P	50.8	Low	54.6	Low	27 Å²	27	71.8 Å²	71.8	18%	0.175	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-12.7	-168.7	27.5	-38.6	0	0	0	115.4	I261 V265 F333 L340	I261-P338 HydrophobicContact CD1-CB 3.91Å; I261-P338 HydrophobicContact CD1-CG 3.88Å; I261-P338 HydrophobicContact CG1-CB 4.02Å; I261-P338 HydrophobicContact CG1-CG 4.41Å; I261-P338 HydrophobicContact CG2-CB 4.04Å; I261-P338 HydrophobicContact CG2-CG 3.95Å; V265-P338 HydrophobicContact CG1-CG 4Å; F333-P338 VanDerWaalsContact O-N 3.16Å; P338-L340 VanDerWaalsContact C-N 3.27Å
339	Q	51.1	Low	52.9	Low	105 Å²	105	74 Å²	74	49%	0.491	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-7.9	171	-67	175.8	-21.6	0	0	113.2	I261 F297 P299 L300 H337	I261-Q339 HydrophobicContact CD1-CG 4.38Å; F297-Q339 HydrophobicContact CD1-CG 4.26Å; F297-Q339 HydrophobicContact CG-CG 4.27Å; P299-Q339 WeakPolarHBondContact CA-O 3.4Å; L300-Q339 PolarHBondContact N-O 3.04Å; H337-Q339 PolarHBondContact O-N 3.49Å
340	L	51.3	Low	51.3	Low	41 Å²	41	77.4 Å²	77.4	22%	0.215	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.3	-176	-55.9	178.6	0	0	0	109.2	L300 V302 V318 F333 H337 P338	L300-L340 HydrophobicContact CB-CD2 3.9Å; L300-L340 HydrophobicContact CD1-CD2 4.49Å; L300-L340 CarbonylContact O-C 3.35Å; L300-L340 WeakPolarHBondContact O-CA 3.35Å; V302-L340 HydrophobicContact CG2-CB 4.04Å; V302-L340 HydrophobicContact CG2-CD1 4.2Å; V302-L340 HydrophobicContact CG2-CD2 3.98Å; V302-L340 HydrophobicContact CG2-CG 4.29Å; V318-L340 HydrophobicContact CG1-CD1 4.39Å; V318-L340 HydrophobicContact CG2-CD1 3.7Å; F333-L340 HydrophobicContact CD1-CB 3.99Å; F333-L340 WeakPolarHBondContact CD1-O 3.23Å; F333-L340 HydrophobicContact CE1-CB 3.96Å; H337-L340 HydrophobicContact CB-CB 4.36Å; H337-L340 HydrophobicContact CB-CD1 4.28Å; H337-L340 WeakPolarHBondContact O-CA 3.41Å; H337-L340 WeakPolarHBondContact O-CB 3.5Å; H337-L340 PolarHBondContact O-N 3.09Å; H337-L340 VanDerWaalsContact O-O 3.11Å; P338-L340 VanDerWaalsContact C-N 3.27Å
341	T	54	Low	50.1	Low	47 Å²	47	76.1 Å²	76.1	29%	0.288	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.1	171.6	-67.3	0	0	0	0	109.6	P299 L300 T301 V302 G343	P299-T341 WeakPolarHBondContact CB-OG1 3.5Å; L300-T341 PolarHBondContact O-N 3.13Å; T301-T341 WeakPolarHBondContact CA-O 3.35Å; V302-T341 PolarHBondContact N-O 3.31Å; T341-G343 PolarHBondContact O-N 3.04Å
342	P	50.2	Low	48.9	Very low	21 Å²	21	78.5 Å²	78.5	14%	0.136	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	100.5	169.4	25.3	-29.5	0	0	0	108.3	I304 E330 F333	I304-P342 HydrophobicContact CD1-CB 3.53Å; I304-P342 HydrophobicContact CG1-CB 4.04Å; E330-P342 HydrophobicContact CG-CG 3.88Å; F333-P342 HydrophobicContact CB-CG 3.92Å; F333-P342 HydrophobicContact CD2-CB 3.68Å; F333-P342 HydrophobicContact CD2-CG 3.79Å; F333-P342 HydrophobicContact CE2-CB 3.83Å; F333-P342 HydrophobicContact CE2-CG 4.44Å; F333-P342 HydrophobicContact CG-CB 4.12Å; F333-P342 HydrophobicContact CG-CG 3.87Å; F333-P342 HydrophobicContact CZ-CB 4.39Å
343	G	45.1	Very low	47.2	Very low	11 Å²	11	78 Å²	78	11%	0.113	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120	-172.8	0	0	0	0	0	110.7	V302 N303 T341 I345	V302-G343 PolarHBondContact O-N 3.01Å; V302-G343 VanDerWaalsContact O-N 3.07Å; N303-G343 WeakPolarHBondContact CA-O 3.47Å; T341-G343 PolarHBondContact O-N 3.04Å; G343-I345 PolarHBondContact O-N 3.41Å; G343-I345 VanDerWaalsContact O-N 3.14Å
344	R	39.5	Very low	46.2	Very low	165 Å²	165	81.4 Å²	81.4	62%	0.623	41%	0.412	S	S	*	.			trans	-71	103.9	156.7	-163.2	-179.1	-162.6	-152.2	13.2	106.3	F305 E346	F305-R344 HydrophobicContact CD2-CG 4.21Å; R344-E346 HydrophobicContact CB-CG 4.25Å; R344-E346 WeakPolarHBondContact CD-OE1 3.18Å; R344-E346 HydrophobicContact CG-CG 3.79Å; R344-E346 IonicContact CZ-OE1 3.73Å; R344-E346 IonicContact NE-OE1 3.32Å; R344-E346 IonicContact NH1-OE1 2.66Å; R344-E346 PolarHBondContact NH1-OE1 3.09Å; R344-E346 PolarHBondContact O-N 2.94Å
345	I	39.4	Very low	45.2	Very low	102 Å²	102	76.7 Å²	76.7	52%	0.523	39%	0.391	S	S	.	.			trans	-71.2	89.2	165.8	-57.2	-179.7	0	0	0	105.5	N303 G343 K347	N303-I345 HydrophobicContact CB-CD1 4.2Å; N303-I345 HydrophobicContact CB-CG1 4.43Å; G343-I345 PolarHBondContact O-N 3.41Å; G343-I345 VanDerWaalsContact O-N 3.14Å; I345-K347 PolarHBondContact O-N 3.16Å
346	E	32.8	Very low	44.2	Very low	132 Å²	132	70.2 Å²	70.2	62%	0.617	37%	0.371	S	S	*	.			trans	-69	83.9	172.9	-66.4	-160.3	149.8	0	0	108.7	R344 S348	R344-E346 HydrophobicContact CB-CG 4.25Å; R344-E346 WeakPolarHBondContact CD-OE1 3.18Å; R344-E346 HydrophobicContact CG-CG 3.79Å; R344-E346 IonicContact CZ-OE1 3.73Å; R344-E346 IonicContact NE-OE1 3.32Å; R344-E346 IonicContact NH1-OE1 2.66Å; R344-E346 PolarHBondContact NH1-OE1 3.09Å; R344-E346 PolarHBondContact O-N 2.94Å; E346-S348 PolarHBondContact O-N 3.45Å
347	K	32.7	Very low	42.9	Very low	116 Å²	116	67 Å²	67	50%	0.504	37%	0.367	S	S	.	.			trans	-44.6	113.6	156.8	-79	-177.5	168.6	-87.4	0	106.4	I345 T349 D375	I345-K347 PolarHBondContact O-N 3.16Å; K347-T349 PolarHBondContact O-N 3.16Å; K347-D375 IonicContact NZ-OD1 3.36Å; K347-D375 PolarHBondContact NZ-OD1 2.87Å; K347-D375 IonicContact NZ-OD2 3.12Å; K347-D375 PolarHBondContact NZ-OD2 3.47Å
348	S	31.9	Very low	42.1	Very low	65 Å²	65	72.1 Å²	72.1	46%	0.455	39%	0.389	S	S	.	.			trans	-57.8	119.2	-164.6	56.7	0	0	0	0	109.7	E346 V350 I351	E346-S348 PolarHBondContact O-N 3.45Å; S348-V350 VanDerWaalsContact CB-O 3.31Å; S348-V350 WeakPolarHBondContact CB-O 3.24Å; S348-V350 CarbonylContact O-C 3.56Å; S348-V350 PolarHBondContact O-N 3.24Å; S348-V350 PolarHBondContact OG-O 2.9Å; S348-I351 PolarHBondContact O-N 3.25Å
349	T	35.1	Very low	41.7	Very low	131 Å²	131	74 Å²	74	80%	0.804	40%	0.402	S	S	*	.	S	Bend	trans	-56.2	-33	173.9	47.5	0	0	0	0	110.2	K347 I351	K347-T349 PolarHBondContact O-N 3.16Å; T349-I351 PolarHBondContact O-N 2.96Å
350	V	37.8	Very low	41.4	Very low	71 Å²	71	69.8 Å²	69.8	43%	0.43	38%	0.383	S	S	.	.	S	Bend	trans	-79.5	88	161.6	-167	0	0	0	0	110.2	S348 L352 P359	S348-V350 VanDerWaalsContact CB-O 3.31Å; S348-V350 WeakPolarHBondContact CB-O 3.24Å; S348-V350 CarbonylContact O-C 3.56Å; S348-V350 PolarHBondContact O-N 3.24Å; S348-V350 PolarHBondContact OG-O 2.9Å; V350-L352 HydrophobicContact CG1-CD2 3.6Å; V350-L352 HydrophobicContact CG1-CG 4.26Å; V350-L352 PolarHBondContact O-N 3.1Å; V350-L352 VanDerWaalsContact O-N 3.13Å; V350-P359 HydrophobicContact CG1-CB 3.79Å; V350-P359 HydrophobicContact CG1-CG 3.82Å
351	I	40.7	Very low	40.8	Very low	58 Å²	58	76.9 Å²	76.9	30%	0.297	42%	0.415	S	S	.	.			trans	-35.3	103.4	144.8	41	156.9	0	0	0	112.1	S348 T349 P359 T360	S348-I351 PolarHBondContact O-N 3.25Å; T349-I351 PolarHBondContact O-N 2.96Å; I351-P359 CarbonylContact O-C 3.57Å; I351-P359 VanDerWaalsContact O-CA 3.27Å; I351-P359 WeakPolarHBondContact O-CA 3.49Å; I351-T360 WeakPolarHBondContact CA-OG1 3.28Å; I351-T360 PolarHBondContact O-N 3.04Å; I351-T360 PolarHBondContact O-OG1 2.86Å
352	L	42.2	Very low	40.1	Very low	88 Å²	88	78.1 Å²	78.1	46%	0.461	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-96.3	133.1	169.8	-65.3	-178.5	0	0	0	110.4	V350 S354 P359 S377	V350-L352 HydrophobicContact CG1-CD2 3.6Å; V350-L352 HydrophobicContact CG1-CG 4.26Å; V350-L352 PolarHBondContact O-N 3.1Å; V350-L352 VanDerWaalsContact O-N 3.13Å; L352-S354 PolarHBondContact O-N 3.5Å; L352-P359 HydrophobicContact CD2-CG 4.15Å; L352-S377 PolarHBondContact O-OG 3.45Å
353	C	42.3	Very low	39.2	Very low	3 Å²	3	85.3 Å²	85.3	2%	0.02	46%	0.46	C	S	.	.	B	Isolated β-bridge	trans	-70.9	121.6	177.8	174.3	0	0	0	0	111.2	I355 G357 F358 T360 S377 H379 C382	C353-I355 PolarHBondContact O-N 2.83Å; C353-G357 WeakPolarHBondContact O-CA 3.45Å; C353-G357 PolarHBondContact O-N 3.48Å; C353-F358 WeakPolarHBondContact CB-O 3.37Å; C353-F358 PolarHBondContact N-O 3.22Å; C353-T360 HydrophobicContact CB-CG2 4.02Å; C353-S377 WeakPolarHBondContact CA-O 3.29Å; C353-H379 WeakPolarHBondContact CB-CE1 3.06Å; C353-H379 VanDerWaalsContact CB-ND1 3.27Å; C353-H379 WeakPolarHBondContact CB-ND1 3.14Å; C353-H379 PolarHBondContact SG-ND1 3.11Å; C353-H379 VanDerWaalsContact SG-ND1 3.37Å; C353-C382 VanDerWaalsContact SG-SG 3.7Å
354	S	42	Very low	38.6	Very low	74 Å²	74	91.4 Å²	91.4	52%	0.517	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.2	-173.9	-48	0	0	0	0	114.5	L352 S377	L352-S354 PolarHBondContact O-N 3.5Å; S354-S377 PolarHBondContact N-O 2.89Å; S354-S377 VanDerWaalsContact N-O 3.13Å
355	I	40.6	Very low	38.1	Very low	34 Å²	34	88.3 Å²	88.3	17%	0.174	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-51.8	179.2	-45.4	-179	0	0	0	111.9	C353 I378 S384 I388 F424	C353-I355 PolarHBondContact O-N 2.83Å; I355-I378 HydrophobicContact CD1-CD1 4.16Å; I355-I378 HydrophobicContact CD1-CG2 3.78Å; I355-I378 HydrophobicContact CG1-CD1 4.41Å; I355-I378 HydrophobicContact CG1-CG1 4.48Å; I355-I378 HydrophobicContact CG1-CG2 4.23Å; I355-S384 WeakPolarHBondContact CG2-OG 3.22Å; I355-I388 HydrophobicContact CG2-CG2 4.46Å; I355-I388 WeakPolarHBondContact O-CG2 3.37Å; I355-F424 HydrophobicContact CD1-CD2 4.35Å; I355-F424 HydrophobicContact CD1-CE2 3.71Å; I355-F424 HydrophobicContact CD1-CZ 4.33Å
356	C	40.4	Very low	37.3	Very low	35 Å²	35	94.4 Å²	94.4	24%	0.236	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-3.9	-173.3	68	0	0	0	0	115.2	F358 H379	C356-F358 HydrophobicContact CB-CD2 4.18Å; C356-F358 WeakPolarHBondContact O-CD2 3.28Å; C356-F358 PolarHBondContact O-N 3.38Å; C356-F358 VanDerWaalsContact O-N 3.15Å; C356-H379 VanDerWaalsContact SG-CE1 3.54Å
357	G	37.9	Very low	37	Very low	45 Å²	45	95.1 Å²	95.1	46%	0.464	51%	0.508	S	S	.	.			trans	74.3	-7.7	178.5	0	0	0	0	0	115.9	C353	C353-G357 WeakPolarHBondContact O-CA 3.45Å; C353-G357 PolarHBondContact O-N 3.48Å
358	F	45.7	Very low	36.5	Very low	143 Å²	143	95.6 Å²	95.6	63%	0.627	53%	0.526	S	S	*	.			trans	-77.3	151.1	179.5	-75.1	-83.7	0	0	0	113	C353 C356 T360 H379	C353-F358 WeakPolarHBondContact CB-O 3.37Å; C353-F358 PolarHBondContact N-O 3.22Å; C356-F358 HydrophobicContact CB-CD2 4.18Å; C356-F358 WeakPolarHBondContact O-CD2 3.28Å; C356-F358 PolarHBondContact O-N 3.38Å; C356-F358 VanDerWaalsContact O-N 3.15Å; F358-T360 PolarHBondContact O-N 2.81Å; F358-H379 PolarHBondContact O-CE1 2.78Å; F358-H379 VanDerWaalsContact O-CE1 3.25Å
359	P	43.6	Very low	36.1	Very low	68 Å²	68	96.6 Å²	96.6	44%	0.442	53%	0.533	S	S	.	.	B	Isolated β-bridge	trans	-53.8	124.3	171.2	-29.8	37.6	0	0	0	113.6	V350 I351 L352 Q361 H379	V350-P359 HydrophobicContact CG1-CB 3.79Å; V350-P359 HydrophobicContact CG1-CG 3.82Å; I351-P359 CarbonylContact O-C 3.57Å; I351-P359 VanDerWaalsContact O-CA 3.27Å; I351-P359 WeakPolarHBondContact O-CA 3.49Å; L352-P359 HydrophobicContact CD2-CG 4.15Å; P359-Q361 PolarHBondContact O-N 3.2Å; P359-H379 VanDerWaalsContact C-NE2 3.3Å; P359-H379 PolarHBondContact O-NE2 3.39Å
360	T	44.4	Very low	35.5	Very low	15 Å²	15	98.7 Å²	98.7	9%	0.092	53%	0.533	C	S	.	.			trans	-72.3	110.3	162.8	58.9	0	0	0	0	108.2	I351 C353 F358 T362 S377	I351-T360 WeakPolarHBondContact CA-OG1 3.28Å; I351-T360 PolarHBondContact O-N 3.04Å; I351-T360 PolarHBondContact O-OG1 2.86Å; C353-T360 HydrophobicContact CB-CG2 4.02Å; F358-T360 PolarHBondContact O-N 2.81Å; T360-T362 VanDerWaalsContact C-N 3.29Å; T360-T362 PolarHBondContact O-N 3.43Å; T360-S377 WeakPolarHBondContact CG2-OG 3.19Å; T360-S377 PolarHBondContact OG1-OG 3.03Å
361	Q	39.4	Very low	34.9	Very low	191 Å²	191	102.1 Å²	102.1	89%	0.893	54%	0.544	S	S	*	.			trans	-66.9	86.1	177	-71.7	-175.2	-8.6	0	0	110.7	P359	P359-Q361 PolarHBondContact O-N 3.2Å
362	T	38.8	Very low	34.2	Very low	72 Å²	72	107.6 Å²	107.6	44%	0.442	57%	0.573	S	S	.	*			trans	-129.7	61.2	174.3	59.4	0	0	0	0	110.6	T360 L364	T360-T362 VanDerWaalsContact C-N 3.29Å; T360-T362 PolarHBondContact O-N 3.43Å; T362-L364 HydrophobicContact CG2-CD1 4.2Å; T362-L364 PolarHBondContact O-N 2.94Å
363	N	30.4	Very low	33.5	Very low	172 Å²	172	109.9 Å²	109.9	92%	0.92	58%	0.582	S	S	*	*			trans	-69.8	37.7	150.3	-80.4	-9.4	0	0	0	110.8	T365	N363-T365 PolarHBondContact O-N 3.28Å
364	L	32.2	Very low	32.9	Very low	140 Å²	140	111.5 Å²	111.5	73%	0.733	59%	0.593	S	S	*	*			trans	-69.2	113.9	166.2	-88.8	153.6	0	0	0	106.2	T362 R366	T362-L364 HydrophobicContact CG2-CD1 4.2Å; T362-L364 PolarHBondContact O-N 2.94Å; L364-R366 PolarHBondContact O-N 3.36Å
365	T	29.2	Very low	32.3	Very low	100 Å²	100	113.2 Å²	113.2	61%	0.613	60%	0.596	S	S	*	*			trans	-45.9	129.8	176.7	37.3	0	0	0	0	110.3	N363 H367	N363-T365 PolarHBondContact O-N 3.28Å; T365-H367 PolarHBondContact O-CD2 2.58Å; T365-H367 PolarHBondContact O-N 2.96Å; T365-H367 PolarHBondContact OG1-CD2 3.25Å; T365-H367 PolarHBondContact OG1-NE2 3.19Å
366	R	24.1	Very low	32	Very low	230 Å²	230	115 Å²	115	87%	0.868	61%	0.605	S	S	*	*			trans	-69.6	73.3	177.6	-71.9	-172	-177.4	178.5	1.9	110.7	L364 S368	L364-R366 PolarHBondContact O-N 3.36Å; R366-S368 PolarHBondContact O-N 2.94Å
367	H	25.5	Very low	31.7	Very low	146 Å²	146	114.2 Å²	114.2	68%	0.676	60%	0.6	S	S	*	*			trans	-66.9	126.5	166.3	-70.4	-78.3	0	0	0	108.8	T365 S369	T365-H367 PolarHBondContact O-CD2 2.58Å; T365-H367 PolarHBondContact O-N 2.96Å; T365-H367 PolarHBondContact OG1-CD2 3.25Å; T365-H367 PolarHBondContact OG1-NE2 3.19Å; H367-S369 PolarHBondContact O-N 3.34Å
368	S	22.3	Very low	31.6	Very low	127 Å²	127	114.9 Å²	114.9	89%	0.888	59%	0.592	S	S	*	*	S	Bend	trans	-65.1	99.9	-168	50.8	0	0	0	0	112.5	R366	R366-S368 PolarHBondContact O-N 2.94Å
369	S	23.1	Very low	31.4	Very low	85 Å²	85	110 Å²	110	59%	0.594	57%	0.571	S	S	*	*			trans	-148.8	145	166.9	58.2	0	0	0	0	109.9	H367 H371	H367-S369 PolarHBondContact O-N 3.34Å; S369-H371 PolarHBondContact O-N 3.49Å
370	H	23.1	Very low	31.4	Very low	176 Å²	176	115.7 Å²	115.7	82%	0.815	60%	0.596	S	S	*	*			trans	-79.5	40.6	-164.9	-83.4	-104.7	0	0	0	114.9	L372	H370-L372 PolarHBondContact O-N 2.87Å
371	H	25.7	Very low	31.1	Very low	142 Å²	142	119.6 Å²	119.6	66%	0.657	63%	0.625	S	S	*	*			trans	-77.2	94.9	174	-79.3	-69.4	0	0	0	111.8	S369 H373	S369-H371 PolarHBondContact O-N 3.49Å; H371-H373 PolarHBondContact O-CD2 3Å; H371-H373 PolarHBondContact O-N 2.84Å
372	L	25.1	Very low	31.2	Very low	173 Å²	173	111.9 Å²	111.9	91%	0.906	59%	0.591	S	S	*	*			trans	-64.1	73.9	167.5	-74.5	151	0	0	0	110.6	H370	H370-L372 PolarHBondContact O-N 2.87Å
373	H	28.3	Very low	31.3	Very low	137 Å²	137	118.2 Å²	118.2	63%	0.634	61%	0.613	S	S	*	*			trans	-69.2	131.4	176.3	-78.6	-77.8	0	0	0	111.4	H371	H371-H373 PolarHBondContact O-CD2 3Å; H371-H373 PolarHBondContact O-N 2.84Å
374	S	29	Very low	31.5	Very low	37 Å²	37	110.7 Å²	110.7	26%	0.259	57%	0.573	S	S	.	*			trans	-58.1	144.6	167	48.9	0	0	0	0	111.8	I376 P418 H420	S374-I376 PolarHBondContact O-N 3.31Å; S374-P418 VanDerWaalsContact CB-CG 3.41Å; S374-P418 VanDerWaalsContact OG-CG 3.23Å; S374-P418 WeakPolarHBondContact OG-CG 3.44Å; S374-H420 PolarHBondContact OG-CE1 3.43Å
375	D	30.4	Very low	31.9	Very low	110 Å²	110	108.7 Å²	108.7	59%	0.588	56%	0.564	S	S	*	*	S	Bend	trans	-74.8	31.5	-179.3	-53.5	-78.1	0	0	0	113.8	K347	K347-D375 IonicContact NZ-OD1 3.36Å; K347-D375 PolarHBondContact NZ-OD1 2.87Å; K347-D375 IonicContact NZ-OD2 3.12Å; K347-D375 PolarHBondContact NZ-OD2 3.47Å
376	I	34.2	Very low	32.3	Very low	70 Å²	70	108.2 Å²	108.2	36%	0.359	56%	0.562	S	S	.	*			trans	-120.1	121.6	172.5	-67.1	174.9	0	0	0	106.8	S374 V421	S374-I376 PolarHBondContact O-N 3.31Å; I376-V421 HydrophobicContact CD1-CG2 4.27Å; I376-V421 HydrophobicContact CG2-CG2 4.1Å
377	S	33.5	Very low	32.9	Very low	19 Å²	19	100.5 Å²	100.5	13%	0.133	54%	0.544	C	S	.	.	B	Isolated β-bridge	trans	-129.4	150.6	176	73.8	0	0	0	0	109.9	L352 C353 S354 T360	L352-S377 PolarHBondContact O-OG 3.45Å; C353-S377 WeakPolarHBondContact CA-O 3.29Å; S354-S377 PolarHBondContact N-O 2.89Å; S354-S377 VanDerWaalsContact N-O 3.13Å; T360-S377 WeakPolarHBondContact CG2-OG 3.19Å; T360-S377 PolarHBondContact OG1-OG 3.03Å
378	I	36	Very low	33.4	Very low	59 Å²	59	96.7 Å²	96.7	30%	0.303	53%	0.527	S	S	.	.			trans	-144	135.8	-179.9	-52.3	171.3	0	0	0	107.1	I355 C382	I355-I378 HydrophobicContact CD1-CD1 4.16Å; I355-I378 HydrophobicContact CD1-CG2 3.78Å; I355-I378 HydrophobicContact CG1-CD1 4.41Å; I355-I378 HydrophobicContact CG1-CG1 4.48Å; I355-I378 HydrophobicContact CG1-CG2 4.23Å; I378-C382 HydrophobicContact CG2-CB 4.05Å
379	H	42.1	Very low	34.1	Very low	40 Å²	40	92 Å²	92	19%	0.185	49%	0.492	C	S	.	.			trans	-66.2	137.9	172	-41.8	89.5	0	0	0	110.4	C353 C356 F358 P359 S381 C382	C353-H379 WeakPolarHBondContact CB-CE1 3.06Å; C353-H379 VanDerWaalsContact CB-ND1 3.27Å; C353-H379 WeakPolarHBondContact CB-ND1 3.14Å; C353-H379 PolarHBondContact SG-ND1 3.11Å; C353-H379 VanDerWaalsContact SG-ND1 3.37Å; C356-H379 VanDerWaalsContact SG-CE1 3.54Å; F358-H379 PolarHBondContact O-CE1 2.78Å; F358-H379 VanDerWaalsContact O-CE1 3.25Å; P359-H379 VanDerWaalsContact C-NE2 3.3Å; P359-H379 PolarHBondContact O-NE2 3.39Å; H379-S381 PolarHBondContact O-N 3.14Å; H379-C382 HydrophobicContact CB-CB 4.12Å; H379-C382 VanDerWaalsContact O-CB 3.23Å; H379-C382 WeakPolarHBondContact O-CB 3.45Å; H379-C382 PolarHBondContact O-N 3.04Å
380	I	42	Very low	34.8	Very low	188 Å²	188	94 Å²	94	96%	0.964	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-32.7	168.2	-62.2	168.9	0	0	0	110.7
381	S	39.9	Very low	35.4	Very low	98 Å²	98	88.8 Å²	88.8	69%	0.685	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	19.6	179.1	55	0	0	0	0	114.7	H379 K383	H379-S381 PolarHBondContact O-N 3.14Å; S381-K383 VanDerWaalsContact C-N 3.32Å; S381-K383 PolarHBondContact O-N 3.26Å
382	C	41	Very low	36	Very low	29 Å²	29	83.3 Å²	83.3	20%	0.196	46%	0.458	C	S	.	.			trans	-68.2	83.8	-176.2	-165.6	0	0	0	0	112.4	C353 I378 H379 S384	C353-C382 VanDerWaalsContact SG-SG 3.7Å; I378-C382 HydrophobicContact CG2-CB 4.05Å; H379-C382 HydrophobicContact CB-CB 4.12Å; H379-C382 VanDerWaalsContact O-CB 3.23Å; H379-C382 WeakPolarHBondContact O-CB 3.45Å; H379-C382 PolarHBondContact O-N 3.04Å; C382-S384 PolarHBondContact O-N 2.67Å
383	K	40	Very low	36.6	Very low	205 Å²	205	79.6 Å²	79.6	89%	0.891	44%	0.444	S	S	*	.			trans	-74.3	52.6	168.4	-67.7	-175.6	177.2	-177.7	0	111.1	S381 N385	S381-K383 VanDerWaalsContact C-N 3.32Å; S381-K383 PolarHBondContact O-N 3.26Å; K383-N385 PolarHBondContact O-N 3.5Å; K383-N385 VanDerWaalsContact O-N 3.16Å
384	S	36.1	Very low	37.1	Very low	13 Å²	13	77.9 Å²	77.9	9%	0.091	43%	0.432	C	S	.	.			trans	-58	119.3	171.2	48.1	0	0	0	0	109.3	I355 C382 H389	I355-S384 WeakPolarHBondContact CG2-OG 3.22Å; C382-S384 PolarHBondContact O-N 2.67Å; S384-H389 PolarHBondContact OG-CE1 2.82Å; S384-H389 PolarHBondContact OG-NE2 2.98Å
385	N	39.4	Very low	37.6	Very low	99 Å²	99	78.4 Å²	78.4	53%	0.529	44%	0.436	S	S	.	.			trans	-50.4	131.5	177.8	-174.1	-22	0	0	0	109.1	K383 S387 I388	K383-N385 PolarHBondContact O-N 3.5Å; K383-N385 VanDerWaalsContact O-N 3.16Å; N385-S387 VanDerWaalsContact CG-OG 3.31Å; N385-S387 PolarHBondContact O-N 3.49Å; N385-S387 PolarHBondContact OD1-OG 3.19Å; N385-I388 HydrophobicContact CB-CD1 4.4Å; N385-I388 HydrophobicContact CB-CG1 4.5Å; N385-I388 WeakPolarHBondContact O-CB 3.46Å; N385-I388 PolarHBondContact O-N 3.28Å
386	P	37.4	Very low	38	Very low	90 Å²	90	76.8 Å²	76.8	58%	0.584	45%	0.445	S	S	*	.	H	α-helix	trans	-52.2	-24.4	-175.9	14.8	-30.4	0	0	0	115.1	I388 H389 N390	P386-I388 PolarHBondContact O-N 2.87Å; P386-H389 PolarHBondContact O-N 2.84Å; P386-N390 PolarHBondContact O-N 2.82Å
387	S	37.7	Very low	38.4	Very low	68 Å²	68	75.8 Å²	75.8	48%	0.476	44%	0.444	S	S	.	.	H	α-helix	trans	-54.6	-36.2	169.3	55.8	0	0	0	0	114.1	N385 N390 S391	N385-S387 VanDerWaalsContact CG-OG 3.31Å; N385-S387 PolarHBondContact O-N 3.49Å; N385-S387 PolarHBondContact OD1-OG 3.19Å; S387-N390 PolarHBondContact O-N 3.12Å; S387-S391 PolarHBondContact O-N 3.17Å; S387-S391 PolarHBondContact O-OG 2.75Å
388	I	35.9	Very low	39	Very low	65 Å²	65	78.6 Å²	78.6	33%	0.333	46%	0.457	S	S	.	.	H	α-helix	trans	-73.6	-31.1	179.7	-54.5	175.3	0	0	0	111.4	I355 N385 P386 N390 S391 A392	I355-I388 HydrophobicContact CG2-CG2 4.46Å; I355-I388 WeakPolarHBondContact O-CG2 3.37Å; N385-I388 HydrophobicContact CB-CD1 4.4Å; N385-I388 HydrophobicContact CB-CG1 4.5Å; N385-I388 WeakPolarHBondContact O-CB 3.46Å; N385-I388 PolarHBondContact O-N 3.28Å; P386-I388 PolarHBondContact O-N 2.87Å; I388-N390 VanDerWaalsContact C-N 3.33Å; I388-S391 PolarHBondContact O-N 2.91Å; I388-S391 PolarHBondContact O-OG 3.33Å; I388-A392 PolarHBondContact O-N 3.45Å; I388-A392 VanDerWaalsContact O-N 3.15Å
389	H	36.2	Very low	39.7	Very low	30 Å²	30	75.9 Å²	75.9	14%	0.139	44%	0.444	C	S	.	.	H	α-helix	trans	-67.1	-37.1	173.2	-71.5	-57.6	0	0	0	111.6	S384 P386 A392 R431	S384-H389 PolarHBondContact OG-CE1 2.82Å; S384-H389 PolarHBondContact OG-NE2 2.98Å; P386-H389 PolarHBondContact O-N 2.84Å; H389-A392 PolarHBondContact O-N 2.86Å; H389-R431 PolarHBondContact CD2-NH1 3.37Å; H389-R431 PolarHBondContact NE2-NH1 3.16Å
390	N	38	Very low	39.9	Very low	127 Å²	127	77.6 Å²	77.6	68%	0.679	45%	0.452	S	S	*	.	H	α-helix	trans	-70.6	-30.7	178.2	-68.9	-2.5	0	0	0	112.4	P386 S387 I388 S395	P386-N390 PolarHBondContact O-N 2.82Å; S387-N390 PolarHBondContact O-N 3.12Å; I388-N390 VanDerWaalsContact C-N 3.33Å; N390-S395 WeakPolarHBondContact O-CB 3.35Å; N390-S395 PolarHBondContact O-OG 3.36Å
391	S	36.5	Very low	40.1	Very low	65 Å²	65	71 Å²	71	46%	0.455	43%	0.426	S	S	.	.	H	α-helix	trans	-91.8	0.4	177.6	61.3	0	0	0	0	115.1	S387 I388	S387-S391 PolarHBondContact O-N 3.17Å; S387-S391 PolarHBondContact O-OG 2.75Å; I388-S391 PolarHBondContact O-N 2.91Å; I388-S391 PolarHBondContact O-OG 3.33Å
392	A	37.5	Very low	40.6	Very low	27 Å²	27	66.5 Å²	66.5	22%	0.223	39%	0.393	C	S	.	.	S	Bend	trans	-63.1	135.9	170.8	0	0	0	0	0	110	I388 H389 W394 S395	I388-A392 PolarHBondContact O-N 3.45Å; I388-A392 VanDerWaalsContact O-N 3.15Å; H389-A392 PolarHBondContact O-N 2.86Å; A392-W394 PolarHBondContact O-N 2.95Å; A392-S395 WeakPolarHBondContact O-CB 3.43Å; A392-S395 PolarHBondContact O-N 2.91Å; A392-S395 PolarHBondContact O-OG 3.46Å
393	P	37.4	Very low	41	Very low	96 Å²	96	65.1 Å²	65.1	62%	0.623	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-1	-173.2	26.2	-35.5	0	0	0	115.2
394	W	39.8	Very low	41.1	Very low	101 Å²	101	57.9 Å²	57.9	38%	0.383	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-16.2	177.6	-44.2	70.7	0	0	0	112.2	A392 G396 C397 L425 L428	A392-W394 PolarHBondContact O-N 2.95Å; W394-G396 VanDerWaalsContact C-N 3.29Å; W394-G396 PolarHBondContact O-N 3.46Å; W394-C397 WeakPolarHBondContact O-CB 3.49Å; W394-C397 PolarHBondContact O-N 2.78Å; W394-C397 VanDerWaalsContact O-N 3.15Å; W394-L425 HydrophobicContact CD2-CD2 4.44Å; W394-L425 HydrophobicContact CE3-CD2 3.72Å; W394-L425 HydrophobicContact CZ3-CD2 3.89Å; W394-L428 HydrophobicContact CB-CD2 4.22Å
395	S	38.2	Very low	41.6	Very low	47 Å²	47	62 Å²	62	33%	0.329	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-29.1	-175.4	66.2	0	0	0	0	113.3	N390 A392	N390-S395 WeakPolarHBondContact O-CB 3.35Å; N390-S395 PolarHBondContact O-OG 3.36Å; A392-S395 WeakPolarHBondContact O-CB 3.43Å; A392-S395 PolarHBondContact O-N 2.91Å; A392-S395 PolarHBondContact O-OG 3.46Å
396	G	39.9	Very low	42	Very low	76 Å²	76	57.5 Å²	57.5	78%	0.784	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	1.7	174.9	0	0	0	0	0	114.8	W394	W394-G396 VanDerWaalsContact C-N 3.29Å; W394-G396 PolarHBondContact O-N 3.46Å
397	C	41.9	Very low	42.4	Very low	50 Å²	50	56.7 Å²	56.7	34%	0.338	35%	0.345	S	S	.	.	S	Bend	trans	-78	139.7	173.8	-66	0	0	0	0	110.3	W394 L402 M432	W394-C397 WeakPolarHBondContact O-CB 3.49Å; W394-C397 PolarHBondContact O-N 2.78Å; W394-C397 VanDerWaalsContact O-N 3.15Å; C397-L402 HydrophobicContact CB-CD1 3.93Å; C397-L402 HydrophobicContact CB-CG 4.19Å; C397-M432 WeakPolarHBondContact O-CE 3.48Å
398	D	47.1	Very low	42.5	Very low	77 Å²	77	62.2 Å²	62.2	41%	0.412	36%	0.357	S	S	.	.			trans	-62.3	142.2	166.2	-172.8	-1.4	0	0	0	109.7	H400 A401 L402	D398-H400 HydrophobicContact CB-CB 4.46Å; D398-H400 PolarHBondContact O-N 3.03Å; D398-H400 VanDerWaalsContact O-N 3.16Å; D398-H400 PolarHBondContact OD1-N 3.1Å; D398-H400 VanDerWaalsContact OD1-N 3.09Å; D398-H400 WeakPolarHBondContact OD2-CB 3.2Å; D398-A401 WeakPolarHBondContact O-CB 3.24Å; D398-A401 PolarHBondContact O-N 3.21Å; D398-L402 PolarHBondContact O-N 3.37Å
399	A	49.2	Very low	42.3	Very low	2 Å²	2	62.1 Å²	62.1	2%	0.017	36%	0.361	C	S	.	.	H	α-helix	trans	-53.8	-27.1	167.7	0	0	0	0	0	112.2	A403 I429 T449	A399-A403 WeakPolarHBondContact O-CB 3.17Å; A399-A403 PolarHBondContact O-N 3.11Å; A399-I429 HydrophobicContact CB-CG2 4.47Å; A399-T449 HydrophobicContact CB-CG2 3.53Å
400	H	47.9	Very low	42	Very low	77 Å²	77	64.1 Å²	64.1	36%	0.356	38%	0.375	S	S	.	.	H	α-helix	trans	-63.7	-47.3	169.5	-177.7	54.4	0	0	0	112.6	D398 A403 C404 C452	D398-H400 HydrophobicContact CB-CB 4.46Å; D398-H400 PolarHBondContact O-N 3.03Å; D398-H400 VanDerWaalsContact O-N 3.16Å; D398-H400 PolarHBondContact OD1-N 3.1Å; D398-H400 VanDerWaalsContact OD1-N 3.09Å; D398-H400 WeakPolarHBondContact OD2-CB 3.2Å; H400-A403 PolarHBondContact O-N 3.29Å; H400-C404 VanDerWaalsContact CE1-SG 3.54Å; H400-C404 PolarHBondContact O-N 3.41Å; H400-C404 PolarHBondContact O-SG 3.07Å; H400-C404 VanDerWaalsContact O-SG 3.34Å; H400-C452 PolarHBondContact ND1-SG 3.5Å
401	A	44.3	Very low	41.6	Very low	50 Å²	50	66.6 Å²	66.6	41%	0.413	39%	0.385	S	S	.	.	H	α-helix	trans	-65.3	-41.8	177.9	0	0	0	0	0	111.8	D398 C404 L405	D398-A401 WeakPolarHBondContact O-CB 3.24Å; D398-A401 PolarHBondContact O-N 3.21Å; A401-C404 PolarHBondContact O-N 3.48Å; A401-L405 PolarHBondContact O-N 3.01Å
402	L	50.5	Low	41.4	Very low	2 Å²	2	74.3 Å²	74.3	1%	0.01	41%	0.406	C	S	.	.	H	α-helix	trans	-58.5	-44.4	171	-83.8	144.7	0	0	0	112	C397 D398 L405 M406 L425 I429 M432	C397-L402 HydrophobicContact CB-CD1 3.93Å; C397-L402 HydrophobicContact CB-CG 4.19Å; D398-L402 PolarHBondContact O-N 3.37Å; L402-L405 WeakPolarHBondContact O-CB 3.17Å; L402-L405 PolarHBondContact O-N 3.24Å; L402-M406 PolarHBondContact O-N 3.34Å; L402-M406 VanDerWaalsContact O-N 3.1Å; L402-L425 HydrophobicContact CD2-CB 4.31Å; L402-L425 HydrophobicContact CD2-CD2 3.69Å; L402-L425 HydrophobicContact CD2-CG 4.41Å; L402-I429 HydrophobicContact CB-CD1 3.98Å; L402-I429 HydrophobicContact CB-CG1 4.33Å; L402-I429 HydrophobicContact CD1-CG1 4.34Å; L402-M432 HydrophobicContact CD1-SD 4.4Å
403	A	49.9	Very low	41.1	Very low	0 Å²	0	74.9 Å²	74.9	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-63.8	-45.9	176.5	0	0	0	0	0	111.9	A399 H400 L405 M406 L407 C452 I456	A399-A403 WeakPolarHBondContact O-CB 3.17Å; A399-A403 PolarHBondContact O-N 3.11Å; H400-A403 PolarHBondContact O-N 3.29Å; A403-L405 PolarHBondContact O-N 3.31Å; A403-M406 CarbonylContact O-C 3.53Å; A403-M406 PolarHBondContact O-N 3.39Å; A403-L407 HydrophobicContact CB-CD1 4.27Å; A403-L407 VanDerWaalsContact O-CB 3.28Å; A403-L407 WeakPolarHBondContact O-CB 3.37Å; A403-L407 WeakPolarHBondContact O-CD1 3.44Å; A403-L407 WeakPolarHBondContact O-CG 3.17Å; A403-L407 PolarHBondContact O-N 2.86Å; A403-C452 HydrophobicContact CB-CB 3.68Å; A403-I456 HydrophobicContact CB-CD1 3.71Å; A403-I456 HydrophobicContact CB-CG1 3.98Å
404	C	43.5	Very low	40.5	Very low	53 Å²	53	82 Å²	82	36%	0.358	42%	0.422	S	S	.	.	H	α-helix	trans	-57.5	-37.5	174	-69.8	0	0	0	0	111.9	H400 A401 M406 L407 Y408	H400-C404 VanDerWaalsContact CE1-SG 3.54Å; H400-C404 PolarHBondContact O-N 3.41Å; H400-C404 PolarHBondContact O-SG 3.07Å; H400-C404 VanDerWaalsContact O-SG 3.34Å; A401-C404 PolarHBondContact O-N 3.48Å; C404-M406 VanDerWaalsContact C-N 3.33Å; C404-M406 PolarHBondContact O-N 3.47Å; C404-L407 PolarHBondContact O-N 3Å; C404-Y408 WeakPolarHBondContact O-CB 3.32Å; C404-Y408 PolarHBondContact O-N 3.22Å
405	L	45.4	Very low	40.1	Very low	99 Å²	99	83.6 Å²	83.6	52%	0.518	43%	0.432	S	S	.	.	H	α-helix	trans	-64.6	-33.4	174.7	-122.9	158.4	0	0	0	113.2	A401 L402 A403 L417	A401-L405 PolarHBondContact O-N 3.01Å; L402-L405 WeakPolarHBondContact O-CB 3.17Å; L402-L405 PolarHBondContact O-N 3.24Å; A403-L405 PolarHBondContact O-N 3.31Å; L405-L417 HydrophobicContact CD2-CD1 4.47Å; L405-L417 WeakPolarHBondContact O-CD1 3.45Å
406	M	48.1	Very low	39.8	Very low	6 Å²	6	84 Å²	84	3%	0.03	44%	0.444	C	S	.	.	H	α-helix	trans	-81.1	-33.7	173.7	-65	-178	70.1	0	0	113.1	L402 A403 C404 L417 A422 L425 I429 I456 Y460	L402-M406 PolarHBondContact O-N 3.34Å; L402-M406 VanDerWaalsContact O-N 3.1Å; A403-M406 CarbonylContact O-C 3.53Å; A403-M406 PolarHBondContact O-N 3.39Å; C404-M406 VanDerWaalsContact C-N 3.33Å; C404-M406 PolarHBondContact O-N 3.47Å; M406-L417 HydrophobicContact CG-CD1 4.03Å; M406-A422 HydrophobicContact CE-CB 3.97Å; M406-L425 HydrophobicContact CG-CD1 4.26Å; M406-L425 HydrophobicContact SD-CB 4Å; M406-I429 HydrophobicContact SD-CD1 4.46Å; M406-I456 HydrophobicContact CE-CG2 3.78Å; M406-I456 HydrophobicContact SD-CD1 4.09Å; M406-I456 HydrophobicContact SD-CG1 4.46Å; M406-I456 HydrophobicContact SD-CG2 4.13Å; M406-Y460 HydrophobicContact CB-CE2 4.42Å; M406-Y460 HydrophobicContact CE-CD2 4.04Å; M406-Y460 HydrophobicContact CE-CE2 3.74Å
407	L	46.1	Very low	39.6	Very low	72 Å²	72	82.4 Å²	82.4	38%	0.377	42%	0.417	S	S	.	.	H	α-helix	trans	-81.1	-25.3	-176.7	-70.3	168.1	0	0	0	113.5	A403 C404 P409 I459	A403-L407 HydrophobicContact CB-CD1 4.27Å; A403-L407 VanDerWaalsContact O-CB 3.28Å; A403-L407 WeakPolarHBondContact O-CB 3.37Å; A403-L407 WeakPolarHBondContact O-CD1 3.44Å; A403-L407 WeakPolarHBondContact O-CG 3.17Å; A403-L407 PolarHBondContact O-N 2.86Å; C404-L407 PolarHBondContact O-N 3Å; L407-P409 WeakPolarHBondContact O-CD 3.49Å; L407-I459 HydrophobicContact CD2-CD1 3.27Å
408	Y	38.4	Very low	39.4	Very low	185 Å²	185	81.5 Å²	81.5	73%	0.725	41%	0.41	S	S	*	.			trans	-124.3	56.5	-167	-129.1	-89.2	0	0	0	114.3	C404 T410	C404-Y408 WeakPolarHBondContact O-CB 3.32Å; C404-Y408 PolarHBondContact O-N 3.22Å; Y408-T410 HydrophobicContact CD1-CG2 4.23Å; Y408-T410 PolarHBondContact O-N 2.85Å
409	P	33.5	Very low	39.2	Very low	62 Å²	62	84 Å²	84	40%	0.403	42%	0.422	S	S	.	.			trans	-67.3	93.9	169.1	30.7	-33.6	0	0	0	109.7	L407	L407-P409 WeakPolarHBondContact O-CD 3.49Å
410	T	28.1	Very low	38.8	Very low	73 Å²	73	87.3 Å²	87.3	45%	0.448	44%	0.437	S	S	.	.			trans	-59	153.6	174.8	63.3	0	0	0	0	110.9	Y408 Y412 S413	Y408-T410 HydrophobicContact CD1-CG2 4.23Å; Y408-T410 PolarHBondContact O-N 2.85Å; T410-Y412 PolarHBondContact O-N 3.49Å; T410-S413 WeakPolarHBondContact O-CA 3.44Å; T410-S413 WeakPolarHBondContact O-CB 3.4Å; T410-S413 PolarHBondContact O-N 3.35Å; T410-S413 PolarHBondContact OG1-N 2.92Å
411	M	30.2	Very low	38.6	Very low	179 Å²	179	84.2 Å²	84.2	88%	0.882	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.5	178.8	-72.7	-68.8	-74.1	0	0	114.3
412	Y	33.2	Very low	38.7	Very low	227 Å²	227	82 Å²	82	89%	0.89	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-18.1	169.8	-62.1	-71.1	0	0	0	112.8	T410 R414	T410-Y412 PolarHBondContact O-N 3.49Å; Y412-R414 PolarHBondContact O-N 2.8Å; Y412-R414 VanDerWaalsContact O-N 3.13Å
413	S	30.5	Very low	38.4	Very low	38 Å²	38	87 Å²	87	27%	0.266	43%	0.428	S	S	.	.			trans	-75.1	93.3	166.7	-167.2	0	0	0	0	110.1	T410 F415	T410-S413 WeakPolarHBondContact O-CA 3.44Å; T410-S413 WeakPolarHBondContact O-CB 3.4Å; T410-S413 PolarHBondContact O-N 3.35Å; T410-S413 PolarHBondContact OG1-N 2.92Å; S413-F415 PolarHBondContact O-N 3.3Å; S413-F415 VanDerWaalsContact O-N 3.14Å; S413-F415 WeakPolarHBondContact OG-CB 3.42Å; S413-F415 PolarHBondContact OG-N 3.31Å; S413-F415 PolarHBondContact OG-O 2.83Å
414	R	25.7	Very low	38.3	Very low	247 Å²	247	89.7 Å²	89.7	93%	0.932	44%	0.44	S	S	*	.			trans	-61.7	-10.1	159.1	-71.5	-174.2	173.6	-170.3	-2.8	112.4	Y412 G416	Y412-R414 PolarHBondContact O-N 2.8Å; Y412-R414 VanDerWaalsContact O-N 3.13Å; R414-G416 VanDerWaalsContact C-N 3.35Å; R414-G416 PolarHBondContact O-N 3.29Å; R414-G416 VanDerWaalsContact O-N 3.16Å
415	F	29.9	Very low	38.5	Very low	134 Å²	134	87.2 Å²	87.2	59%	0.588	42%	0.423	S	S	*	.			trans	-81.2	80.8	167.1	-40.5	-86	0	0	0	109.7	S413 L417	S413-F415 PolarHBondContact O-N 3.3Å; S413-F415 VanDerWaalsContact O-N 3.14Å; S413-F415 WeakPolarHBondContact OG-CB 3.42Å; S413-F415 PolarHBondContact OG-N 3.31Å; S413-F415 PolarHBondContact OG-O 2.83Å; F415-L417 PolarHBondContact O-N 3.13Å
416	G	31.7	Very low	38.7	Very low	56 Å²	56	83.4 Å²	83.4	58%	0.577	40%	0.403	S	S	*	.			trans	-63	111.9	141.9	0	0	0	0	0	106.1	R414 P418	R414-G416 VanDerWaalsContact C-N 3.35Å; R414-G416 PolarHBondContact O-N 3.29Å; R414-G416 VanDerWaalsContact O-N 3.16Å; G416-P418 VanDerWaalsContact O-CD 3.32Å; G416-P418 WeakPolarHBondContact O-CD 3.41Å
417	L	36.9	Very low	38.8	Very low	42 Å²	42	85.3 Å²	85.3	22%	0.22	42%	0.419	C	S	.	.			trans	-53	116.1	-174.1	-93.2	162.8	0	0	0	109.5	L405 M406 F415 V421 L425	L405-L417 HydrophobicContact CD2-CD1 4.47Å; L405-L417 WeakPolarHBondContact O-CD1 3.45Å; M406-L417 HydrophobicContact CG-CD1 4.03Å; F415-L417 PolarHBondContact O-N 3.13Å; L417-V421 HydrophobicContact CD2-CB 4.07Å; L417-V421 HydrophobicContact CD2-CG1 3.6Å; L417-L425 HydrophobicContact CD1-CD1 3.99Å; L417-L425 HydrophobicContact CD2-CD1 4.01Å
418	P	37.9	Very low	38.9	Very low	30 Å²	30	82.7 Å²	82.7	20%	0.195	41%	0.405	C	S	.	.			trans	-57	145.2	-174	-24.3	31.6	0	0	0	110.2	S374 G416 H420 V421 A422	S374-P418 VanDerWaalsContact CB-CG 3.41Å; S374-P418 VanDerWaalsContact OG-CG 3.23Å; S374-P418 WeakPolarHBondContact OG-CG 3.44Å; G416-P418 VanDerWaalsContact O-CD 3.32Å; G416-P418 WeakPolarHBondContact O-CD 3.41Å; P418-H420 VanDerWaalsContact CB-CE1 3.44Å; P418-H420 WeakPolarHBondContact CB-CE1 3.46Å; P418-H420 PolarHBondContact O-N 2.91Å; P418-V421 HydrophobicContact CB-CG2 4.08Å; P418-V421 HydrophobicContact CG-CG2 4.01Å; P418-V421 CarbonylContact O-C 3.58Å; P418-V421 WeakPolarHBondContact O-CA 3.24Å; P418-V421 PolarHBondContact O-N 3.48Å; P418-A422 PolarHBondContact O-N 3Å
419	I	41.7	Very low	39.5	Very low	129 Å²	129	74 Å²	74	66%	0.662	37%	0.372	S	S	*	.	H	α-helix	trans	-59.2	-25.8	-168.5	-144.4	167.1	0	0	0	113.1	H423	I419-H423 WeakPolarHBondContact O-CB 3.48Å; I419-H423 PolarHBondContact O-N 2.95Å; I419-H423 PolarHBondContact O-ND1 2.88Å
420	H	42.2	Very low	40.3	Very low	72 Å²	72	74.4 Å²	74.4	33%	0.333	37%	0.368	S	S	.	.	H	α-helix	trans	-76.7	-32.4	172.5	62.8	-99.2	0	0	0	113.6	S374 P418 F424	S374-H420 PolarHBondContact OG-CE1 3.43Å; P418-H420 VanDerWaalsContact CB-CE1 3.44Å; P418-H420 WeakPolarHBondContact CB-CE1 3.46Å; P418-H420 PolarHBondContact O-N 2.91Å; H420-F424 VanDerWaalsContact O-CB 3.31Å; H420-F424 WeakPolarHBondContact O-CB 3.49Å; H420-F424 PolarHBondContact O-N 2.83Å
421	V	43.1	Very low	41.3	Very low	12 Å²	12	78.2 Å²	78.2	7%	0.073	37%	0.374	C	S	.	.	H	α-helix	trans	-73.3	-40.2	171.5	-169.9	0	0	0	0	109.8	I376 L417 P418 H423 F424 L425	I376-V421 HydrophobicContact CD1-CG2 4.27Å; I376-V421 HydrophobicContact CG2-CG2 4.1Å; L417-V421 HydrophobicContact CD2-CB 4.07Å; L417-V421 HydrophobicContact CD2-CG1 3.6Å; P418-V421 HydrophobicContact CB-CG2 4.08Å; P418-V421 HydrophobicContact CG-CG2 4.01Å; P418-V421 CarbonylContact O-C 3.58Å; P418-V421 WeakPolarHBondContact O-CA 3.24Å; P418-V421 PolarHBondContact O-N 3.48Å; V421-H423 PolarHBondContact O-N 3Å; V421-F424 PolarHBondContact O-N 3.19Å; V421-F424 VanDerWaalsContact O-N 3.12Å; V421-L425 HydrophobicContact CG1-CD1 4.18Å; V421-L425 HydrophobicContact CG1-CG 4.18Å; V421-L425 VanDerWaalsContact O-CG 3.29Å; V421-L425 WeakPolarHBondContact O-CG 3.37Å; V421-L425 PolarHBondContact O-N 3.18Å
422	A	45.3	Very low	42.2	Very low	3 Å²	3	71.9 Å²	71.9	3%	0.025	34%	0.343	C	S	.	.	H	α-helix	trans	-57.5	-48.1	172.1	0	0	0	0	0	111.4	M406 P418 F424 L425 Y426 Y460	M406-A422 HydrophobicContact CE-CB 3.97Å; P418-A422 PolarHBondContact O-N 3Å; A422-F424 PolarHBondContact O-N 3.03Å; A422-L425 PolarHBondContact O-N 3.27Å; A422-Y426 WeakPolarHBondContact O-CB 3.13Å; A422-Y426 PolarHBondContact O-N 2.82Å; A422-Y460 HydrophobicContact CB-CE1 4.18Å
423	H	45.1	Very low	42.8	Very low	107 Å²	107	62.5 Å²	62.5	50%	0.495	31%	0.308	S	S	.	.	H	α-helix	trans	-62.2	-38	171.6	-79.5	103.1	0	0	0	113	I419 V421 Y426 A427	I419-H423 WeakPolarHBondContact O-CB 3.48Å; I419-H423 PolarHBondContact O-N 2.95Å; I419-H423 PolarHBondContact O-ND1 2.88Å; V421-H423 PolarHBondContact O-N 3Å; H423-Y426 PolarHBondContact O-N 2.86Å; H423-A427 WeakPolarHBondContact O-CB 3.4Å; H423-A427 PolarHBondContact O-N 3.23Å
424	F	47.8	Very low	43.7	Very low	57 Å²	57	65.9 Å²	65.9	25%	0.25	32%	0.321	C	S	.	.	H	α-helix	trans	-66.3	-45.7	177.7	175.6	-95.7	0	0	0	112.3	I355 H420 V421 A422 Y426 A427 L428	I355-F424 HydrophobicContact CD1-CD2 4.35Å; I355-F424 HydrophobicContact CD1-CE2 3.71Å; I355-F424 HydrophobicContact CD1-CZ 4.33Å; H420-F424 VanDerWaalsContact O-CB 3.31Å; H420-F424 WeakPolarHBondContact O-CB 3.49Å; H420-F424 PolarHBondContact O-N 2.83Å; V421-F424 PolarHBondContact O-N 3.19Å; V421-F424 VanDerWaalsContact O-N 3.12Å; A422-F424 PolarHBondContact O-N 3.03Å; F424-Y426 VanDerWaalsContact C-N 3.35Å; F424-A427 PolarHBondContact O-N 2.88Å; F424-L428 HydrophobicContact CZ-CD1 4.43Å; F424-L428 WeakPolarHBondContact O-CB 3.49Å; F424-L428 PolarHBondContact O-N 3.45Å
425	L	48.4	Very low	44.6	Very low	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-64.6	-41.7	175.9	-62.3	175.8	0	0	0	110.3	W394 L402 M406 L417 V421 A422 L428 I429	W394-L425 HydrophobicContact CD2-CD2 4.44Å; W394-L425 HydrophobicContact CE3-CD2 3.72Å; W394-L425 HydrophobicContact CZ3-CD2 3.89Å; L402-L425 HydrophobicContact CD2-CB 4.31Å; L402-L425 HydrophobicContact CD2-CD2 3.69Å; L402-L425 HydrophobicContact CD2-CG 4.41Å; M406-L425 HydrophobicContact CG-CD1 4.26Å; M406-L425 HydrophobicContact SD-CB 4Å; L417-L425 HydrophobicContact CD1-CD1 3.99Å; L417-L425 HydrophobicContact CD2-CD1 4.01Å; V421-L425 HydrophobicContact CG1-CD1 4.18Å; V421-L425 HydrophobicContact CG1-CG 4.18Å; V421-L425 VanDerWaalsContact O-CG 3.29Å; V421-L425 WeakPolarHBondContact O-CG 3.37Å; V421-L425 PolarHBondContact O-N 3.18Å; A422-L425 PolarHBondContact O-N 3.27Å; L425-L428 WeakPolarHBondContact O-CB 3.36Å; L425-L428 PolarHBondContact O-N 2.9Å; L425-I429 WeakPolarHBondContact O-CB 3.48Å; L425-I429 WeakPolarHBondContact O-CD1 3.49Å; L425-I429 WeakPolarHBondContact O-CG1 3.41Å; L425-I429 PolarHBondContact O-N 3.37Å
426	Y	49.1	Very low	45.1	Very low	20 Å²	20	55.4 Å²	55.4	8%	0.078	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-42.7	173.8	179.6	-105.5	0	0	0	112.7	A422 H423 F424 I429 Q430 I456 S457 E462	A422-Y426 WeakPolarHBondContact O-CB 3.13Å; A422-Y426 PolarHBondContact O-N 2.82Å; H423-Y426 PolarHBondContact O-N 2.86Å; F424-Y426 VanDerWaalsContact C-N 3.35Å; Y426-I429 WeakPolarHBondContact O-CB 3.47Å; Y426-I429 PolarHBondContact O-N 3.37Å; Y426-Q430 HydrophobicContact CE1-CG 4.16Å; Y426-Q430 VanDerWaalsContact CZ-NE2 3.29Å; Y426-Q430 PolarHBondContact O-N 3.33Å; Y426-Q430 PolarHBondContact OH-NE2 2.86Å; Y426-I456 HydrophobicContact CD2-CG2 3.81Å; Y426-I456 HydrophobicContact CE2-CG2 4.41Å; Y426-S457 PolarHBondContact OH-OG 3.47Å; Y426-E462 HydrophobicContact CE1-CB 4.23Å; Y426-E462 WeakPolarHBondContact CE1-OE2 3.37Å; Y426-E462 WeakPolarHBondContact OH-CB 3.38Å; Y426-E462 PolarHBondContact OH-O 2.95Å
427	A	49	Very low	45.6	Very low	45 Å²	45	55.6 Å²	55.6	37%	0.372	28%	0.276	S	S	.	.	H	α-helix	trans	-69	-32	174.8	0	0	0	0	0	112.8	H423 F424 R431	H423-A427 WeakPolarHBondContact O-CB 3.4Å; H423-A427 PolarHBondContact O-N 3.23Å; F424-A427 PolarHBondContact O-N 2.88Å; A427-R431 WeakPolarHBondContact O-CB 3.38Å; A427-R431 PolarHBondContact O-N 2.87Å
428	L	49.1	Very low	46	Very low	18 Å²	18	60.1 Å²	60.1	9%	0.094	30%	0.3	C	S	.	.	H	α-helix	trans	-64.3	-46.6	170.7	-165.2	85.3	0	0	0	110	W394 F424 L425 R431 M432	W394-L428 HydrophobicContact CB-CD2 4.22Å; F424-L428 HydrophobicContact CZ-CD1 4.43Å; F424-L428 WeakPolarHBondContact O-CB 3.49Å; F424-L428 PolarHBondContact O-N 3.45Å; L425-L428 WeakPolarHBondContact O-CB 3.36Å; L425-L428 PolarHBondContact O-N 2.9Å; L428-R431 CarbonylContact O-C 3.59Å; L428-R431 WeakPolarHBondContact O-CB 3.3Å; L428-R431 PolarHBondContact O-N 3.44Å; L428-M432 WeakPolarHBondContact O-CG 3.41Å; L428-M432 PolarHBondContact O-N 2.92Å
429	I	50.5	Low	46.2	Very low	3 Å²	3	65.3 Å²	65.3	2%	0.015	32%	0.322	C	S	.	.	H	α-helix	trans	-61.8	-44.9	176.2	-69.6	164.8	0	0	0	111	A399 L402 M406 L425 Y426 R431 M432 L433 C453 I456	A399-I429 HydrophobicContact CB-CG2 4.47Å; L402-I429 HydrophobicContact CB-CD1 3.98Å; L402-I429 HydrophobicContact CB-CG1 4.33Å; L402-I429 HydrophobicContact CD1-CG1 4.34Å; M406-I429 HydrophobicContact SD-CD1 4.46Å; L425-I429 WeakPolarHBondContact O-CB 3.48Å; L425-I429 WeakPolarHBondContact O-CD1 3.49Å; L425-I429 WeakPolarHBondContact O-CG1 3.41Å; L425-I429 PolarHBondContact O-N 3.37Å; Y426-I429 WeakPolarHBondContact O-CB 3.47Å; Y426-I429 PolarHBondContact O-N 3.37Å; I429-R431 PolarHBondContact O-N 3.37Å; I429-M432 PolarHBondContact O-N 2.87Å; I429-L433 PolarHBondContact O-N 3.22Å; I429-C453 HydrophobicContact CG2-CB 4.43Å; I429-C453 WeakPolarHBondContact CG2-SG 3.49Å; I429-I456 HydrophobicContact CD1-CD1 3.49Å; I429-I456 VanDerWaalsContact CD1-CD1 3.49Å
430	Q	51.7	Low	46.2	Very low	69 Å²	69	66.5 Å²	66.5	32%	0.322	32%	0.322	S	S	.	.	H	α-helix	trans	-59.6	-42.7	172.2	-77.2	-170.8	-9.9	0	0	111.8	Y426 L433 M434	Y426-Q430 HydrophobicContact CE1-CG 4.16Å; Y426-Q430 VanDerWaalsContact CZ-NE2 3.29Å; Y426-Q430 PolarHBondContact O-N 3.33Å; Y426-Q430 PolarHBondContact OH-NE2 2.86Å; Q430-L433 WeakPolarHBondContact O-CB 3.48Å; Q430-L433 PolarHBondContact O-N 2.93Å; Q430-M434 WeakPolarHBondContact O-CG 3.41Å; Q430-M434 PolarHBondContact O-N 2.99Å
431	R	48.9	Very low	46	Very low	154 Å²	154	66.9 Å²	66.9	58%	0.581	35%	0.346	S	S	*	.	H	α-helix	trans	-62.6	-41	174.2	-95.2	-175.3	174	168.3	-0.5	112.5	H389 A427 L428 I429 L433 M434 A435	H389-R431 PolarHBondContact CD2-NH1 3.37Å; H389-R431 PolarHBondContact NE2-NH1 3.16Å; A427-R431 WeakPolarHBondContact O-CB 3.38Å; A427-R431 PolarHBondContact O-N 2.87Å; L428-R431 CarbonylContact O-C 3.59Å; L428-R431 WeakPolarHBondContact O-CB 3.3Å; L428-R431 PolarHBondContact O-N 3.44Å; I429-R431 PolarHBondContact O-N 3.37Å; R431-L433 VanDerWaalsContact C-N 3.32Å; R431-M434 PolarHBondContact O-N 2.96Å; R431-A435 VanDerWaalsContact O-CB 3.24Å; R431-A435 WeakPolarHBondContact O-CB 3.26Å; R431-A435 PolarHBondContact O-N 3.13Å
432	M	47.6	Very low	45.8	Very low	45 Å²	45	67.9 Å²	67.9	22%	0.222	36%	0.359	C	S	.	.	H	α-helix	trans	-65.5	-36.1	175.1	-69.5	174.8	77.3	0	0	111.5	C397 L402 L428 I429 R436	C397-M432 WeakPolarHBondContact O-CE 3.48Å; L402-M432 HydrophobicContact CD1-SD 4.4Å; L428-M432 WeakPolarHBondContact O-CG 3.41Å; L428-M432 PolarHBondContact O-N 2.92Å; I429-M432 PolarHBondContact O-N 2.87Å; M432-R436 WeakPolarHBondContact O-CB 3.21Å; M432-R436 PolarHBondContact O-N 3.32Å; M432-R436 VanDerWaalsContact O-N 3.11Å
433	L	47.5	Very low	45.5	Very low	31 Å²	31	71 Å²	71	16%	0.162	37%	0.37	C	S	.	.	H	α-helix	trans	-61.2	-54.1	171.2	-126.7	83	0	0	0	111	I429 Q430 R431 A435 R436 I437 W443 T449 L450 C453	I429-L433 PolarHBondContact O-N 3.22Å; Q430-L433 WeakPolarHBondContact O-CB 3.48Å; Q430-L433 PolarHBondContact O-N 2.93Å; R431-L433 VanDerWaalsContact C-N 3.32Å; L433-A435 PolarHBondContact O-N 3.15Å; L433-R436 PolarHBondContact O-N 3Å; L433-I437 VanDerWaalsContact O-CG1 3.25Å; L433-I437 WeakPolarHBondContact O-CG1 3.15Å; L433-I437 PolarHBondContact O-N 3.39Å; L433-W443 HydrophobicContact CD1-CZ2 4.16Å; L433-W443 HydrophobicContact CG-CZ2 4.35Å; L433-T449 HydrophobicContact CD1-CG2 3.81Å; L433-L450 HydrophobicContact CD2-CD1 4.28Å; L433-C453 HydrophobicContact CD1-CB 4.48Å; L433-C453 WeakPolarHBondContact CD1-SG 3.29Å
434	M	49	Very low	45.2	Very low	109 Å²	109	69.3 Å²	69.3	54%	0.537	37%	0.37	S	S	.	.	H	α-helix	trans	-62.2	-43.2	-178.3	-72	-70.6	167.9	0	0	112.2	Q430 R431 R436 I437 N438	Q430-M434 WeakPolarHBondContact O-CG 3.41Å; Q430-M434 PolarHBondContact O-N 2.99Å; R431-M434 PolarHBondContact O-N 2.96Å; M434-R436 VanDerWaalsContact C-N 3.33Å; M434-R436 PolarHBondContact O-N 2.86Å; M434-I437 PolarHBondContact O-N 2.91Å; M434-I437 HydrophobicContact SD-CD1 4.34Å; M434-N438 VanDerWaalsContact O-CG 3.25Å; M434-N438 PolarHBondContact O-N 2.89Å; M434-N438 PolarHBondContact O-OD1 3.25Å
435	A	45	Very low	44.7	Very low	52 Å²	52	69.8 Å²	69.8	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-61.1	-40.6	175.7	0	0	0	0	0	112	R431 L433 Q439	R431-A435 VanDerWaalsContact O-CB 3.24Å; R431-A435 WeakPolarHBondContact O-CB 3.26Å; R431-A435 PolarHBondContact O-N 3.13Å; L433-A435 PolarHBondContact O-N 3.15Å; A435-Q439 WeakPolarHBondContact O-CG 3.32Å; A435-Q439 PolarHBondContact O-N 2.96Å
436	R	40.2	Very low	44.2	Very low	109 Å²	109	76.5 Å²	76.5	41%	0.411	41%	0.412	S	S	.	.	H	α-helix	trans	-75	-34.4	175.2	-76.7	-167.9	-177.9	-172.5	7	113.8	M432 L433 M434 N438 Q439 F440 W443	M432-R436 WeakPolarHBondContact O-CB 3.21Å; M432-R436 PolarHBondContact O-N 3.32Å; M432-R436 VanDerWaalsContact O-N 3.11Å; L433-R436 PolarHBondContact O-N 3Å; M434-R436 VanDerWaalsContact C-N 3.33Å; M434-R436 PolarHBondContact O-N 2.86Å; R436-N438 VanDerWaalsContact C-N 3.27Å; R436-N438 PolarHBondContact O-N 2.78Å; R436-Q439 PolarHBondContact O-N 3.41Å; R436-Q439 VanDerWaalsContact O-N 3.13Å; R436-F440 HydrophobicContact CB-CD2 4.33Å; R436-F440 HydrophobicContact CG-CD2 4.44Å; R436-F440 PolarHBondContact O-N 2.86Å; R436-W443 HydrophobicContact CB-CH2 4.48Å; R436-W443 HydrophobicContact CB-CZ2 3.67Å; R436-W443 HydrophobicContact CG-CZ2 4.21Å
437	I	42.2	Very low	43.9	Very low	59 Å²	59	76.6 Å²	76.6	30%	0.303	42%	0.415	S	S	.	.	H	α-helix	trans	-56.6	-47.5	171.9	-72	162	0	0	0	109.2	L433 M434 Q439 G441	L433-I437 VanDerWaalsContact O-CG1 3.25Å; L433-I437 WeakPolarHBondContact O-CG1 3.15Å; L433-I437 PolarHBondContact O-N 3.39Å; M434-I437 PolarHBondContact O-N 2.91Å; M434-I437 HydrophobicContact SD-CD1 4.34Å; I437-Q439 VanDerWaalsContact C-N 3.26Å; I437-Q439 PolarHBondContact O-N 3.26Å; I437-G441 PolarHBondContact O-N 3.31Å
438	N	45	Very low	43.6	Very low	137 Å²	137	81.7 Å²	81.7	73%	0.733	43%	0.426	S	S	*	.	H	α-helix	trans	-68.2	-20.9	178.9	-65.8	-0.8	0	0	0	113.9	M434 R436	M434-N438 VanDerWaalsContact O-CG 3.25Å; M434-N438 PolarHBondContact O-N 2.89Å; M434-N438 PolarHBondContact O-OD1 3.25Å; R436-N438 VanDerWaalsContact C-N 3.27Å; R436-N438 PolarHBondContact O-N 2.78Å
439	Q	42	Very low	43.6	Very low	140 Å²	140	81.4 Å²	81.4	65%	0.654	43%	0.425	S	S	*	.	H	α-helix	trans	-92.4	-32.3	177.9	-77.1	177.2	-24.2	0	0	113.8	A435 R436 I437	A435-Q439 WeakPolarHBondContact O-CG 3.32Å; A435-Q439 PolarHBondContact O-N 2.96Å; R436-Q439 PolarHBondContact O-N 3.41Å; R436-Q439 VanDerWaalsContact O-N 3.13Å; I437-Q439 VanDerWaalsContact C-N 3.26Å; I437-Q439 PolarHBondContact O-N 3.26Å
440	F	41	Very low	43.4	Very low	154 Å²	154	84.2 Å²	84.2	68%	0.675	44%	0.44	S	S	*	.	H	α-helix	trans	-122.2	9	-168.6	-65.2	-79	0	0	0	114	R436 G442	R436-F440 HydrophobicContact CB-CD2 4.33Å; R436-F440 HydrophobicContact CG-CD2 4.44Å; R436-F440 PolarHBondContact O-N 2.86Å; F440-G442 PolarHBondContact O-N 3.5Å
441	G	38.4	Very low	43.1	Very low	80 Å²	80	87.1 Å²	87.1	83%	0.825	45%	0.448	S	S	*	.	S	Bend	trans	70.2	-3.5	174	0	0	0	0	0	115.6	I437	I437-G441 PolarHBondContact O-N 3.31Å
442	G	38.2	Very low	43	Very low	33 Å²	33	80.4 Å²	80.4	34%	0.34	42%	0.424	S	S	.	.	S	Bend	trans	161.4	-167.4	-177.1	0	0	0	0	0	111.7	F440	F440-G442 PolarHBondContact O-N 3.5Å
443	W	39.6	Very low	42.9	Very low	68 Å²	68	79 Å²	79	26%	0.258	42%	0.418	S	S	.	.			trans	-138.8	136.3	172.6	-74.4	84	0	0	0	109.7	L433 R436 S447 T449	L433-W443 HydrophobicContact CD1-CZ2 4.16Å; L433-W443 HydrophobicContact CG-CZ2 4.35Å; R436-W443 HydrophobicContact CB-CH2 4.48Å; R436-W443 HydrophobicContact CB-CZ2 3.67Å; R436-W443 HydrophobicContact CG-CZ2 4.21Å; W443-S447 VanDerWaalsContact CZ3-OG 3.25Å; W443-S447 WeakPolarHBondContact CZ3-OG 3.07Å; W443-T449 VanDerWaalsContact CH2-CB 3.47Å; W443-T449 HydrophobicContact CH2-CG2 3.41Å; W443-T449 VanDerWaalsContact CH2-CG2 3.41Å; W443-T449 HydrophobicContact CZ2-CG2 3.98Å; W443-T449 HydrophobicContact CZ3-CG2 4.12Å
444	S	39.7	Very low	42.8	Very low	72 Å²	72	80 Å²	80	50%	0.503	43%	0.432	S	S	.	.			trans	-68.6	143.1	164.9	91.7	0	0	0	0	109.8	Q446 S447	S444-Q446 PolarHBondContact O-N 3.35Å; S444-S447 PolarHBondContact O-N 3.25Å
445	S	36.2	Very low	42.6	Very low	67 Å²	67	76.6 Å²	76.6	47%	0.469	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	2.6	-179.7	66.7	0	0	0	0	114.6	R150	R150-S445 PolarHBondContact NH2-OG 3.48Å; R150-S445 VanDerWaalsContact NH2-OG 3.12Å
446	Q	37.7	Very low	42.6	Very low	141 Å²	141	74.2 Å²	74.2	66%	0.659	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-16	174.8	-66.7	162	-30	0	0	113	S444 Y448 R451	S444-Q446 PolarHBondContact O-N 3.35Å; Q446-Y448 PolarHBondContact O-N 2.92Å; Q446-R451 PolarHBondContact O-NE 3.48Å
447	S	43.2	Very low	42.6	Very low	22 Å²	22	69.7 Å²	69.7	15%	0.154	39%	0.386	C	S	.	.			trans	-63.7	134.2	-170.1	97	0	0	0	0	113.5	W443 S444 T449 L450 R451	W443-S447 VanDerWaalsContact CZ3-OG 3.25Å; W443-S447 WeakPolarHBondContact CZ3-OG 3.07Å; S444-S447 PolarHBondContact O-N 3.25Å; S447-T449 VanDerWaalsContact C-N 3.29Å; S447-T449 PolarHBondContact O-N 2.88Å; S447-L450 PolarHBondContact O-N 2.88Å; S447-L450 VanDerWaalsContact OG-CB 3.28Å; S447-L450 WeakPolarHBondContact OG-CB 3.3Å; S447-L450 PolarHBondContact OG-N 3.46Å; S447-R451 WeakPolarHBondContact O-CG 3.44Å; S447-R451 PolarHBondContact O-N 2.94Å
448	Y	43.9	Very low	42.5	Very low	152 Å²	152	68.3 Å²	68.3	60%	0.596	38%	0.384	S	S	*	.	H	α-helix	trans	-59.9	-41.3	175.6	-90	-89.9	0	0	0	111.6	Q446 L450 R451 C452	Q446-Y448 PolarHBondContact O-N 2.92Å; Y448-L450 PolarHBondContact O-N 2.84Å; Y448-R451 PolarHBondContact O-N 2.85Å; Y448-C452 WeakPolarHBondContact O-CB 3.35Å; Y448-C452 PolarHBondContact O-N 3.26Å; Y448-C452 PolarHBondContact O-SG 2.82Å
449	T	47.5	Very low	42.2	Very low	13 Å²	13	67 Å²	67	8%	0.08	38%	0.375	C	S	.	.	H	α-helix	trans	-52.9	-53.2	175	-54.1	0	0	0	0	111.8	A399 L433 W443 S447 R451 C452 C453	A399-T449 HydrophobicContact CB-CG2 3.53Å; L433-T449 HydrophobicContact CD1-CG2 3.81Å; W443-T449 VanDerWaalsContact CH2-CB 3.47Å; W443-T449 HydrophobicContact CH2-CG2 3.41Å; W443-T449 VanDerWaalsContact CH2-CG2 3.41Å; W443-T449 HydrophobicContact CZ2-CG2 3.98Å; W443-T449 HydrophobicContact CZ3-CG2 4.12Å; S447-T449 VanDerWaalsContact C-N 3.29Å; S447-T449 PolarHBondContact O-N 2.88Å; T449-R451 PolarHBondContact O-N 2.77Å; T449-C452 PolarHBondContact O-N 2.81Å; T449-C453 PolarHBondContact O-N 3.49Å; T449-C453 PolarHBondContact O-SG 2.89Å
450	L	47.1	Very low	42.1	Very low	62 Å²	62	65.6 Å²	65.6	33%	0.325	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-41	-178	-172.1	72.9	0	0	0	111.8	L433 S447 Y448 C452 C453 A454	L433-L450 HydrophobicContact CD2-CD1 4.28Å; S447-L450 PolarHBondContact O-N 2.88Å; S447-L450 VanDerWaalsContact OG-CB 3.28Å; S447-L450 WeakPolarHBondContact OG-CB 3.3Å; S447-L450 PolarHBondContact OG-N 3.46Å; Y448-L450 PolarHBondContact O-N 2.84Å; L450-C452 VanDerWaalsContact C-N 3.34Å; L450-C452 PolarHBondContact O-N 2.88Å; L450-C453 PolarHBondContact O-N 3.37Å; L450-A454 WeakPolarHBondContact O-CB 3.31Å; L450-A454 PolarHBondContact O-N 2.88Å
451	R	45.4	Very low	41.5	Very low	130 Å²	130	61.2 Å²	61.2	49%	0.491	36%	0.363	S	S	.	.	H	α-helix	trans	-61.2	-41.7	175.5	-67.4	169.1	178.4	-171.9	-1.6	111.9	Q446 S447 Y448 T449 A454 A455	Q446-R451 PolarHBondContact O-NE 3.48Å; S447-R451 WeakPolarHBondContact O-CG 3.44Å; S447-R451 PolarHBondContact O-N 2.94Å; Y448-R451 PolarHBondContact O-N 2.85Å; T449-R451 PolarHBondContact O-N 2.77Å; R451-A454 PolarHBondContact O-N 3.01Å; R451-A455 PolarHBondContact O-N 3.33Å
452	C	46.4	Very low	40.9	Very low	13 Å²	13	61.8 Å²	61.8	9%	0.088	34%	0.344	C	S	.	.	H	α-helix	trans	-69.2	-39.7	177.7	-66.9	0	0	0	0	112	H400 A403 Y448 T449 L450 A455 I456	H400-C452 PolarHBondContact ND1-SG 3.5Å; A403-C452 HydrophobicContact CB-CB 3.68Å; Y448-C452 WeakPolarHBondContact O-CB 3.35Å; Y448-C452 PolarHBondContact O-N 3.26Å; Y448-C452 PolarHBondContact O-SG 2.82Å; T449-C452 PolarHBondContact O-N 2.81Å; L450-C452 VanDerWaalsContact C-N 3.34Å; L450-C452 PolarHBondContact O-N 2.88Å; C452-A455 PolarHBondContact O-N 3.16Å; C452-I456 WeakPolarHBondContact O-CG1 3.21Å; C452-I456 PolarHBondContact O-N 2.89Å
453	C	46.3	Very low	40.3	Very low	14 Å²	14	66.2 Å²	66.2	10%	0.095	36%	0.359	C	S	.	.	H	α-helix	trans	-59.9	-49.1	172.3	-61.7	0	0	0	0	110.8	I429 L433 T449 L450 A455 I456 S457	I429-C453 HydrophobicContact CG2-CB 4.43Å; I429-C453 WeakPolarHBondContact CG2-SG 3.49Å; L433-C453 HydrophobicContact CD1-CB 4.48Å; L433-C453 WeakPolarHBondContact CD1-SG 3.29Å; T449-C453 PolarHBondContact O-N 3.49Å; T449-C453 PolarHBondContact O-SG 2.89Å; L450-C453 PolarHBondContact O-N 3.37Å; C453-A455 VanDerWaalsContact C-N 3.26Å; C453-A455 PolarHBondContact O-N 3.01Å; C453-I456 PolarHBondContact O-N 3.47Å; C453-S457 VanDerWaalsContact O-CB 3.22Å; C453-S457 WeakPolarHBondContact O-CB 3.31Å; C453-S457 PolarHBondContact O-N 3.48Å; C453-S457 PolarHBondContact O-OG 3.12Å
454	A	44.5	Very low	39.8	Very low	54 Å²	54	66.3 Å²	66.3	45%	0.446	37%	0.367	S	S	.	.	H	α-helix	trans	-59.4	-35.4	177	0	0	0	0	0	112.8	L450 R451 A458	L450-A454 WeakPolarHBondContact O-CB 3.31Å; L450-A454 PolarHBondContact O-N 2.88Å; R451-A454 PolarHBondContact O-N 3.01Å; A454-A458 VanDerWaalsContact O-CB 3.29Å; A454-A458 WeakPolarHBondContact O-CB 3.49Å; A454-A458 PolarHBondContact O-N 2.81Å
455	A	44.6	Very low	39.2	Very low	37 Å²	37	67.3 Å²	67.3	31%	0.306	37%	0.367	S	S	.	.	H	α-helix	trans	-68.1	-45.6	174.7	0	0	0	0	0	112.8	R451 C452 C453 A458 I459	R451-A455 PolarHBondContact O-N 3.33Å; C452-A455 PolarHBondContact O-N 3.16Å; C453-A455 VanDerWaalsContact C-N 3.26Å; C453-A455 PolarHBondContact O-N 3.01Å; A455-A458 PolarHBondContact O-N 3.04Å; A455-I459 WeakPolarHBondContact O-CG1 3.33Å; A455-I459 PolarHBondContact O-N 3.05Å
456	I	45.9	Very low	39	Very low	1 Å²	1	70.4 Å²	70.4	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-61.5	-49.2	173.7	-60.3	162.4	0	0	0	109.8	A403 M406 Y426 I429 C452 C453 A458 I459 Y460	A403-I456 HydrophobicContact CB-CD1 3.71Å; A403-I456 HydrophobicContact CB-CG1 3.98Å; M406-I456 HydrophobicContact CE-CG2 3.78Å; M406-I456 HydrophobicContact SD-CD1 4.09Å; M406-I456 HydrophobicContact SD-CG1 4.46Å; M406-I456 HydrophobicContact SD-CG2 4.13Å; Y426-I456 HydrophobicContact CD2-CG2 3.81Å; Y426-I456 HydrophobicContact CE2-CG2 4.41Å; I429-I456 HydrophobicContact CD1-CD1 3.49Å; I429-I456 VanDerWaalsContact CD1-CD1 3.49Å; C452-I456 WeakPolarHBondContact O-CG1 3.21Å; C452-I456 PolarHBondContact O-N 2.89Å; C453-I456 PolarHBondContact O-N 3.47Å; I456-A458 VanDerWaalsContact C-N 3.28Å; I456-A458 PolarHBondContact O-N 3.29Å; I456-I459 PolarHBondContact O-N 3.4Å; I456-Y460 HydrophobicContact CG2-CD2 3.67Å; I456-Y460 HydrophobicContact CG2-CE2 4.29Å; I456-Y460 HydrophobicContact CG2-CG 4.48Å; I456-Y460 PolarHBondContact O-N 3.04Å
457	S	40.8	Very low	38.6	Very low	14 Å²	14	66.7 Å²	66.7	10%	0.098	39%	0.385	C	S	.	.	H	α-helix	trans	-53	-41.5	176.6	-86.4	0	0	0	0	113.3	Y426 C453 I459 G461 E462	Y426-S457 PolarHBondContact OH-OG 3.47Å; C453-S457 VanDerWaalsContact O-CB 3.22Å; C453-S457 WeakPolarHBondContact O-CB 3.31Å; C453-S457 PolarHBondContact O-N 3.48Å; C453-S457 PolarHBondContact O-OG 3.12Å; S457-I459 VanDerWaalsContact C-N 3.28Å; S457-I459 PolarHBondContact O-N 3.43Å; S457-G461 WeakPolarHBondContact O-CA 3.32Å; S457-G461 PolarHBondContact O-N 3.15Å; S457-E462 WeakPolarHBondContact CA-O 3.29Å; S457-E462 WeakPolarHBondContact CB-O 3.28Å; S457-E462 PolarHBondContact O-N 3.37Å; S457-E462 PolarHBondContact OG-O 3.49Å
458	A	39.8	Very low	37.8	Very low	31 Å²	31	71 Å²	71	26%	0.256	40%	0.403	S	S	.	.	H	α-helix	trans	-70.9	-19.3	177.4	0	0	0	0	0	114	L157 A454 A455 I456	L157-A458 HydrophobicContact CD2-CB 4.36Å; L157-A458 VanDerWaalsContact CD2-O 3.24Å; L157-A458 WeakPolarHBondContact CD2-O 3.44Å; A454-A458 VanDerWaalsContact O-CB 3.29Å; A454-A458 WeakPolarHBondContact O-CB 3.49Å; A454-A458 PolarHBondContact O-N 2.81Å; A455-A458 PolarHBondContact O-N 3.04Å; I456-A458 VanDerWaalsContact C-N 3.28Å; I456-A458 PolarHBondContact O-N 3.29Å
459	I	38.3	Very low	37	Very low	108 Å²	108	70.4 Å²	70.4	55%	0.554	42%	0.419	S	S	*	.	H	α-helix	trans	-98.9	-42.1	-178.5	-70.6	166	0	0	0	111.6	L407 A455 I456 S457	L407-I459 HydrophobicContact CD2-CD1 3.27Å; A455-I459 WeakPolarHBondContact O-CG1 3.33Å; A455-I459 PolarHBondContact O-N 3.05Å; I456-I459 PolarHBondContact O-N 3.4Å; S457-I459 VanDerWaalsContact C-N 3.28Å; S457-I459 PolarHBondContact O-N 3.43Å
460	Y	39.9	Very low	35.9	Very low	112 Å²	112	78 Å²	78	44%	0.439	45%	0.451	S	S	.	.	H	α-helix	trans	-94.7	-11.7	-177.9	-69.2	-86.6	0	0	0	113.9	M406 A422 I456	M406-Y460 HydrophobicContact CB-CE2 4.42Å; M406-Y460 HydrophobicContact CE-CD2 4.04Å; M406-Y460 HydrophobicContact CE-CE2 3.74Å; A422-Y460 HydrophobicContact CB-CE1 4.18Å; I456-Y460 HydrophobicContact CG2-CD2 3.67Å; I456-Y460 HydrophobicContact CG2-CE2 4.29Å; I456-Y460 HydrophobicContact CG2-CG 4.48Å; I456-Y460 PolarHBondContact O-N 3.04Å
461	G	27.5	Very low	34.6	Very low	61 Å²	61	79.5 Å²	79.5	63%	0.629	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	27.6	161.1	0	0	0	0	0	117.3	S457	S457-G461 WeakPolarHBondContact O-CA 3.32Å; S457-G461 PolarHBondContact O-N 3.15Å
462	E	26	Very low	33.5	Very low	92 Å²	92	80 Å²	80	43%	0.43	48%	0.476	S	S	.	.			trans	-125.9	122	169.8	-79	-160.8	170.3	0	0	111.7	Y426 S457	Y426-E462 HydrophobicContact CE1-CB 4.23Å; Y426-E462 WeakPolarHBondContact CE1-OE2 3.37Å; Y426-E462 WeakPolarHBondContact OH-CB 3.38Å; Y426-E462 PolarHBondContact OH-O 2.95Å; S457-E462 WeakPolarHBondContact CA-O 3.29Å; S457-E462 WeakPolarHBondContact CB-O 3.28Å; S457-E462 PolarHBondContact O-N 3.37Å; S457-E462 PolarHBondContact OG-O 3.49Å
463	L	26.3	Very low	32.3	Very low	126 Å²	126	86.7 Å²	86.7	66%	0.66	51%	0.509	S	S	*	.			trans	-118.6	122.9	174.9	-147.2	115.6	0	0	0	108.8
464	V	28.3	Very low	31.1	Very low	70 Å²	70	94 Å²	94	42%	0.424	54%	0.542	S	S	.	.			trans	-99.7	125.3	173.4	-179.1	0	0	0	0	108.1
465	D	27.3	Very low	30	Very low	93 Å²	93	96.2 Å²	96.2	50%	0.497	55%	0.554	S	S	.	*			trans	-76.8	119.4	169.8	-172	-25	0	0	0	108.7	G467 Q468	D465-G467 PolarHBondContact O-N 3.1Å; D465-G467 VanDerWaalsContact O-N 3.1Å; D465-G467 PolarHBondContact OD1-N 3.44Å; D465-Q468 PolarHBondContact O-N 3.19Å; D465-Q468 VanDerWaalsContact O-N 3.11Å
466	P	31.7	Very low	28.8	Very low	132 Å²	132	103.9 Å²	103.9	86%	0.857	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-14.6	179.4	27.5	-35.5	0	0	0	113.5	Q468	P466-Q468 VanDerWaalsContact C-N 3.34Å
467	G	31	Very low	27.5	Very low	64 Å²	64	112.1 Å²	112.1	66%	0.66	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-9.4	174.1	0	0	0	0	0	115.3	D465	D465-G467 PolarHBondContact O-N 3.1Å; D465-G467 VanDerWaalsContact O-N 3.1Å; D465-G467 PolarHBondContact OD1-N 3.44Å
468	Q	25.4	Very low	26.5	Very low	113 Å²	113	122.5 Å²	122.5	53%	0.528	66%	0.659	S	S	.	*			trans	-126.3	109.9	-177	-61.6	-164.6	21.3	0	0	112.9	D465 P466 K470	D465-Q468 PolarHBondContact O-N 3.19Å; D465-Q468 VanDerWaalsContact O-N 3.11Å; P466-Q468 VanDerWaalsContact C-N 3.34Å; Q468-K470 PolarHBondContact O-N 3.43Å
469	C	26.3	Very low	25.6	Very low	138 Å²	138	128 Å²	128	93%	0.932	68%	0.682	S	S	*	*	S	Bend	trans	-69.8	26.7	178.2	-63.5	0	0	0	0	115.3
470	K	24.2	Very low	24.7	Very low	172 Å²	172	129.4 Å²	129.4	75%	0.748	69%	0.69	S	S	*	*	S	Bend	trans	-139.1	119.9	173.9	-69.1	-177.5	-179.7	174.1	0	109.3	Q468 L472	Q468-K470 PolarHBondContact O-N 3.43Å; K470-L472 PolarHBondContact O-N 3.18Å
471	P	21.8	Very low	23.8	Very low	95 Å²	95	132.1 Å²	132.1	62%	0.617	71%	0.707	S	S	*	*			trans	-64.3	134.5	177.3	27.2	-33.9	0	0	0	110.3	I473	P471-I473 VanDerWaalsContact C-N 3.35Å; P471-I473 PolarHBondContact O-N 3.45Å
472	L	22.2	Very low	23.5	Very low	139 Å²	139	136.8 Å²	136.8	73%	0.728	71%	0.712	S	S	*	*			trans	-87	73.4	-166.8	-152.6	140.8	0	0	0	111.5	K470 Q474	K470-L472 PolarHBondContact O-N 3.18Å; L472-Q474 PolarHBondContact O-N 3.03Å
473	I	21.2	Very low	23.3	Very low	154 Å²	154	140.2 Å²	140.2	79%	0.79	73%	0.733	S	S	*	*			trans	-67.2	89.1	-178.6	-54.2	170.3	0	0	0	110.3	P471	P471-I473 VanDerWaalsContact C-N 3.35Å; P471-I473 PolarHBondContact O-N 3.45Å
474	Q	20.8	Very low	23.2	Very low	167 Å²	167	141.1 Å²	141.1	78%	0.78	74%	0.739	S	S	*	*			trans	-149.8	14.1	170.7	-128.9	175.7	57.5	0	0	117.6	L472 K476	L472-Q474 PolarHBondContact O-N 3.03Å; Q474-K476 VanDerWaalsContact C-N 3.32Å; Q474-K476 PolarHBondContact O-N 3.22Å
475	S	20.3	Very low	22.8	Very low	101 Å²	101	143.5 Å²	143.5	71%	0.706	76%	0.759	S	S	*	*			trans	-72.2	82.3	166.7	46.6	0	0	0	0	111.2	M477	S475-M477 PolarHBondContact O-N 3.23Å
476	K	19.3	Very low	22.6	Very low	198 Å²	198	147.2 Å²	147.2	86%	0.861	78%	0.777	S	S	*	*			trans	-66	72.5	165.2	-83.4	-171.8	174	-180	0	110.7	Q474 R478	Q474-K476 VanDerWaalsContact C-N 3.32Å; Q474-K476 PolarHBondContact O-N 3.22Å; K476-R478 PolarHBondContact O-N 3.38Å; K476-R478 VanDerWaalsContact O-N 3.17Å
477	M	20	Very low	22.1	Very low	174 Å²	174	149.8 Å²	149.8	86%	0.857	78%	0.775	S	S	*	*			trans	-64.7	114.8	167.3	-170.6	163.8	-170.5	0	0	107.6	S475 I479	S475-M477 PolarHBondContact O-N 3.23Å; M477-I479 PolarHBondContact O-N 2.71Å
478	R	18.4	Very low	21.6	Very low	232 Å²	232	152.3 Å²	152.3	88%	0.875	78%	0.782	S	S	*	*			trans	-69.6	95	-179.7	-63.1	-179.8	-169.1	156	3.1	108.9	K476 L480	K476-R478 PolarHBondContact O-N 3.38Å; K476-R478 VanDerWaalsContact O-N 3.17Å; R478-L480 PolarHBondContact O-N 3.18Å
479	I	20.9	Very low	21.4	Very low	146 Å²	146	152.9 Å²	152.9	75%	0.749	79%	0.793	S	S	*	*			trans	-56.6	124.2	155.3	-62.6	175.5	0	0	0	105.7	M477 E481	M477-I479 PolarHBondContact O-N 2.71Å; I479-E481 VanDerWaalsContact C-N 3.27Å; I479-E481 PolarHBondContact O-N 3.31Å
480	L	19.8	Very low	21.2	Very low	138 Å²	138	155.9 Å²	155.9	72%	0.723	79%	0.791	S	S	*	*			trans	-74.1	89.5	172.9	-126.2	75.9	0	0	0	107	R478 H482	R478-L480 PolarHBondContact O-N 3.18Å; L480-H482 VanDerWaalsContact C-N 3.29Å; L480-H482 PolarHBondContact O-N 3.3Å
481	E	20.6	Very low	21.1	Very low	170 Å²	170	153.5 Å²	153.5	79%	0.794	79%	0.793	S	S	*	*			trans	-63.6	94.3	169.9	-69.8	-176	160.8	0	0	108.1	I479 N483	I479-E481 VanDerWaalsContact C-N 3.27Å; I479-E481 PolarHBondContact O-N 3.31Å; E481-N483 PolarHBondContact O-N 3.29Å; E481-N483 VanDerWaalsContact O-N 3.17Å
482	H	22.8	Very low	21	Very low	159 Å²	159	159.1 Å²	159.1	74%	0.736	81%	0.808	S	S	*	*			trans	-62.4	117.3	170.8	-97	-85.8	0	0	0	108.2	L480 N484	L480-H482 VanDerWaalsContact C-N 3.29Å; L480-H482 PolarHBondContact O-N 3.3Å; H482-N484 VanDerWaalsContact C-N 3.34Å; H482-N484 PolarHBondContact O-N 3.08Å
483	N	20.5	Very low	21	Very low	163 Å²	163	157.1 Å²	157.1	87%	0.872	81%	0.811	S	S	*	*			trans	-58.5	86.6	-175.2	-66.9	-48.5	0	0	0	112.5	E481	E481-N483 PolarHBondContact O-N 3.29Å; E481-N483 VanDerWaalsContact O-N 3.17Å
484	N	23.5	Very low	21	Very low	145 Å²	145	154.8 Å²	154.8	78%	0.775	81%	0.809	S	S	*	*			trans	-124.7	105.3	166.8	-89.1	-31.4	0	0	0	108.1	H482 L486	H482-N484 VanDerWaalsContact C-N 3.34Å; H482-N484 PolarHBondContact O-N 3.08Å; N484-L486 PolarHBondContact O-N 3.15Å
485	S	20.4	Very low	21	Very low	121 Å²	121	154.1 Å²	154.1	85%	0.846	81%	0.809	S	S	*	*			trans	-76.5	77.9	-168.4	56.5	0	0	0	0	113
486	L	22.8	Very low	21	Very low	170 Å²	170	155 Å²	155	89%	0.89	81%	0.813	S	S	*	*			trans	-86.4	115	163.2	-77.8	169.5	0	0	0	109.6	N484	N484-L486 PolarHBondContact O-N 3.15Å
487	K	21.6	Very low	21.1	Very low	187 Å²	187	150.6 Å²	150.6	81%	0.813	81%	0.806	S	S	*	*			trans	-66.8	152.4	-175	-66.5	177.6	179.9	176.3	0	111.5	V489	K487-V489 PolarHBondContact O-N 3.05Å
488	S	20	Very low	21.1	Very low	116 Å²	116	148.9 Å²	148.9	81%	0.811	81%	0.806	S	S	*	*			trans	-47.9	116.6	176.1	51.5	0	0	0	0	114.4
489	V	22.6	Very low	21.3	Very low	125 Å²	125	143.2 Å²	143.2	76%	0.758	80%	0.797	S	S	*	*			trans	-134.9	46.7	165.4	-160.2	0	0	0	0	111.4	K487	K487-V489 PolarHBondContact O-N 3.05Å
490	F	20.9	Very low	21.2	Very low	202 Å²	202	141 Å²	141	89%	0.886	79%	0.794	S	S	*	*	S	Bend	trans	-137.9	117.7	159.2	-76.9	-69.1	0	0	0	109.1
491	P	22.4	Very low	21.2	Very low	122 Å²	122	143.7 Å²	143.7	79%	0.792	80%	0.8	S	S	*	*			trans	-70.5	151.9	178.4	29.7	-34.2	0	0	0	110.7	A493	P491-A493 PolarHBondContact O-N 3.35Å
492	K	20.3	Very low	21.2	Very low	212 Å²	212	145.4 Å²	145.4	92%	0.922	80%	0.801	S	S	*	*			trans	-64.2	100	171.1	-73.8	178.5	176.2	175.9	0	109.6	S494	K492-S494 PolarHBondContact O-N 3.16Å; K492-S494 VanDerWaalsContact O-N 3.15Å
493	A	21.4	Very low	21.1	Very low	97 Å²	97	145.9 Å²	145.9	80%	0.802	81%	0.809	S	S	*	*			trans	-63.1	111.7	158.5	0	0	0	0	0	107.6	P491	P491-A493 PolarHBondContact O-N 3.35Å
494	S	21.8	Very low	21.1	Very low	105 Å²	105	143.4 Å²	143.4	73%	0.734	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-64.4	135.7	179.7	36	0	0	0	0	110.5	K492 P496	K492-S494 PolarHBondContact O-N 3.16Å; K492-S494 VanDerWaalsContact O-N 3.15Å; S494-P496 VanDerWaalsContact O-CD 3.27Å; S494-P496 WeakPolarHBondContact O-CD 3.27Å
495	I	20.8	Very low	21	Very low	154 Å²	154	142.7 Å²	142.7	79%	0.79	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-67.2	120.4	171.4	-61.4	167.5	0	0	0	107.3	S497	I495-S497 PolarHBondContact O-N 2.88Å
496	P	20.8	Very low	21.1	Very low	120 Å²	120	142.9 Å²	142.9	78%	0.779	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-68.8	119.8	169.7	-14.7	30.9	0	0	0	108.4	S494	S494-P496 VanDerWaalsContact O-CD 3.27Å; S494-P496 WeakPolarHBondContact O-CD 3.27Å
497	S	21.5	Very low	21.1	Very low	104 Å²	104	140.9 Å²	140.9	73%	0.727	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-62.2	150.3	-178.9	-61.9	0	0	0	0	112.3	I495 V499	I495-S497 PolarHBondContact O-N 2.88Å; S497-V499 PolarHBondContact O-N 2.78Å
498	T	19	Very low	21	Very low	139 Å²	139	140.8 Å²	140.8	85%	0.853	80%	0.801	S	S	*	*			trans	-37.3	116.7	169.7	-50.4	0	0	0	0	113.2
499	V	21.9	Very low	21.1	Very low	113 Å²	113	143.2 Å²	143.2	69%	0.685	80%	0.804	S	S	*	*			trans	-126.8	110.9	160	-173.8	0	0	0	0	108.2	S497 F501	S497-V499 PolarHBondContact O-N 2.78Å; V499-F501 HydrophobicContact CG1-CD2 3.68Å; V499-F501 HydrophobicContact CG1-CE2 3.6Å
500	S	19.1	Very low	21	Very low	99 Å²	99	147.3 Å²	147.3	69%	0.692	81%	0.806	S	S	*	*			trans	-76	118.4	172.1	50.2	0	0	0	0	110
501	F	20.6	Very low	20.9	Very low	194 Å²	194	142.9 Å²	142.9	85%	0.851	80%	0.795	S	S	*	*			trans	-117.3	144.2	163.4	-93.4	-74	0	0	0	111.2	V499	V499-F501 HydrophobicContact CG1-CD2 3.68Å; V499-F501 HydrophobicContact CG1-CE2 3.6Å
502	Y	20.8	Very low	20.8	Very low	206 Å²	206	143 Å²	143	81%	0.808	80%	0.797	S	S	*	*			trans	-74	162.2	-168.1	-92.8	-109.3	0	0	0	113.6	S504	Y502-S504 PolarHBondContact O-N 3.07Å
503	N	20.2	Very low	20.7	Very low	169 Å²	169	140.4 Å²	140.4	90%	0.904	79%	0.793	S	S	*	*			trans	-45.6	108.5	166.9	-65	-25.4	0	0	0	111.1
504	S	21	Very low	20.9	Very low	112 Å²	112	141.1 Å²	141.1	78%	0.783	79%	0.793	S	S	*	*			trans	-125.1	126.8	161.9	43.4	0	0	0	0	108.2	Y502	Y502-S504 PolarHBondContact O-N 3.07Å
505	T	20.9	Very low	20.8	Very low	129 Å²	129	145 Å²	145	79%	0.791	80%	0.797	S	S	*	*			trans	-65	150.9	-177.8	35.2	0	0	0	0	110.9	T507	T505-T507 PolarHBondContact O-N 3.16Å
506	P	21.9	Very low	20.8	Very low	125 Å²	125	143.4 Å²	143.4	81%	0.812	80%	0.799	S	S	*	*			trans	-61	110.6	-165.5	23	-34.5	0	0	0	112.3
507	T	22.7	Very low	20.8	Very low	128 Å²	128	142.6 Å²	142.6	79%	0.785	80%	0.802	S	S	*	*			trans	-66.2	134.4	174.4	34.8	0	0	0	0	110.5	T505 I509	T505-T507 PolarHBondContact O-N 3.16Å; T507-I509 PolarHBondContact O-N 2.8Å
508	Q	21	Very low	20.9	Very low	185 Å²	185	144.7 Å²	144.7	86%	0.864	80%	0.804	S	S	*	*			trans	-69.4	98.6	-175.4	-61.5	173.5	6.5	0	0	110.5	R510	Q508-R510 VanDerWaalsContact C-N 3.34Å; Q508-R510 PolarHBondContact O-N 2.87Å
509	I	21.7	Very low	21.1	Very low	168 Å²	168	143.6 Å²	143.6	86%	0.862	80%	0.799	S	S	*	*			trans	-70.9	96	169.3	-61.6	-176.5	0	0	0	108.3	T507 T511	T507-I509 PolarHBondContact O-N 2.8Å; I509-T511 PolarHBondContact O-N 3.03Å
510	R	20.2	Very low	21.1	Very low	211 Å²	211	145.4 Å²	145.4	80%	0.796	80%	0.803	S	S	*	*			trans	-59.2	127.7	178.1	-117.5	178.7	178	170.8	-1.5	111.3	Q508	Q508-R510 VanDerWaalsContact C-N 3.34Å; Q508-R510 PolarHBondContact O-N 2.87Å
511	T	18.8	Very low	21.2	Very low	109 Å²	109	145.3 Å²	145.3	67%	0.669	80%	0.802	S	S	*	*			trans	26.6	101.5	140.2	55.3	0	0	0	0	118.4	I509	I509-T511 PolarHBondContact O-N 3.03Å
512	C	20.6	Very low	21.2	Very low	123 Å²	123	144.2 Å²	144.2	83%	0.831	80%	0.804	S	S	*	*			trans	-117.9	93	149.2	-68.8	0	0	0	0	109.3	S514	C512-S514 VanDerWaalsContact C-N 3.34Å; C512-S514 PolarHBondContact O-N 2.86Å
513	N	19	Very low	21.2	Very low	158 Å²	158	138.6 Å²	138.6	85%	0.845	80%	0.795	S	S	*	*			trans	-78.6	76.3	176.8	-89	-29.6	0	0	0	111.3	K515	N513-K515 PolarHBondContact O-N 3.04Å
514	S	24	Very low	21.3	Very low	112 Å²	112	136 Å²	136	78%	0.783	79%	0.786	S	S	*	*			trans	-84.2	93.8	164.1	58.1	0	0	0	0	110	C512	C512-S514 VanDerWaalsContact C-N 3.34Å; C512-S514 PolarHBondContact O-N 2.86Å
515	K	20.5	Very low	21.3	Very low	188 Å²	188	137 Å²	137	82%	0.817	79%	0.787	S	S	*	*			trans	-61.4	168.4	161.5	-72.5	178.4	176	177.3	0	110.2	N513	N513-K515 PolarHBondContact O-N 3.04Å
516	S	20.7	Very low	21.3	Very low	120 Å²	120	137.7 Å²	137.7	84%	0.839	79%	0.785	S	S	*	*			trans	60.9	94.2	177.6	58.3	0	0	0	0	117.2
517	A	21.6	Very low	21.3	Very low	102 Å²	102	138 Å²	138	84%	0.843	78%	0.784	S	S	*	*			trans	-129.3	128.6	136.5	0	0	0	0	0	106.9
518	I	22.6	Very low	21.2	Very low	149 Å²	149	136.4 Å²	136.4	76%	0.764	78%	0.779	S	S	*	*			trans	-75.6	138.8	-169.3	-66.8	170.1	0	0	0	110	I520	I518-I520 PolarHBondContact O-N 3Å; I518-I520 VanDerWaalsContact O-N 3.14Å
519	P	22.5	Very low	21.1	Very low	116 Å²	116	133.7 Å²	133.7	75%	0.753	78%	0.78	S	S	*	*			trans	-64.5	114.3	176.9	26.3	-34.8	0	0	0	111	S521	P519-S521 PolarHBondContact O-N 3.44Å; P519-S521 VanDerWaalsContact O-N 3.08Å
520	I	21.9	Very low	21.1	Very low	150 Å²	150	130.6 Å²	130.6	77%	0.769	77%	0.773	S	S	*	*			trans	-76.5	96.4	176.6	-57.1	177	0	0	0	108.7	I518 L522	I518-I520 PolarHBondContact O-N 3Å; I518-I520 VanDerWaalsContact O-N 3.14Å; I520-L522 HydrophobicContact CG2-CG 4.48Å; I520-L522 PolarHBondContact O-N 3.45Å; I520-L522 VanDerWaalsContact O-N 3.17Å
521	S	21.6	Very low	21.2	Very low	97 Å²	97	128.7 Å²	128.7	68%	0.678	78%	0.778	S	S	*	*			trans	-69.9	104.2	168.9	42.9	0	0	0	0	110.1	P519 S523	P519-S521 PolarHBondContact O-N 3.44Å; P519-S521 VanDerWaalsContact O-N 3.08Å; S521-S523 PolarHBondContact O-N 3.27Å
522	L	21.4	Very low	21.3	Very low	171 Å²	171	129 Å²	129	90%	0.895	78%	0.782	S	S	*	*			trans	-73.6	62.6	176.9	-89.8	150.4	0	0	0	111.9	I520	I520-L522 HydrophobicContact CG2-CG 4.48Å; I520-L522 PolarHBondContact O-N 3.45Å; I520-L522 VanDerWaalsContact O-N 3.17Å
523	S	20.3	Very low	21.4	Very low	88 Å²	88	129.5 Å²	129.5	62%	0.615	78%	0.781	S	S	*	*			trans	-153.9	71.5	-178.9	60.3	0	0	0	0	111.6	S521	S521-S523 PolarHBondContact O-N 3.27Å
524	T	21.8	Very low	21.5	Very low	114 Å²	114	131.2 Å²	131.2	70%	0.699	78%	0.784	S	S	*	*			trans	175.6	91.6	149.1	-73.2	0	0	0	0	108	L526	T524-L526 HydrophobicContact CG2-CB 4.12Å; T524-L526 HydrophobicContact CG2-CD1 3.7Å; T524-L526 HydrophobicContact CG2-CG 3.76Å
525	V	22	Very low	21.2	Very low	135 Å²	135	132.8 Å²	132.8	82%	0.818	78%	0.779	S	S	*	*			trans	-101.1	75.2	164.4	179.3	0	0	0	0	107.4	V527	V525-V527 HydrophobicContact CG1-CG2 3.99Å; V525-V527 PolarHBondContact O-N 2.9Å
526	L	20.2	Very low	21	Very low	143 Å²	143	133.1 Å²	133.1	75%	0.749	78%	0.776	S	S	*	*			trans	-78.6	93.6	165.9	-80.9	168.2	0	0	0	108.2	T524 S528	T524-L526 HydrophobicContact CG2-CB 4.12Å; T524-L526 HydrophobicContact CG2-CD1 3.7Å; T524-L526 HydrophobicContact CG2-CG 3.76Å; L526-S528 VanDerWaalsContact C-N 3.33Å; L526-S528 PolarHBondContact O-N 3.34Å; L526-S528 VanDerWaalsContact O-N 3.16Å
527	V	22.6	Very low	21.2	Very low	131 Å²	131	137 Å²	137	79%	0.794	78%	0.779	S	S	*	*			trans	-79.7	90.8	162.1	178.5	0	0	0	0	107.2	V525	V525-V527 HydrophobicContact CG1-CG2 3.99Å; V525-V527 PolarHBondContact O-N 2.9Å
528	S	20.5	Very low	21	Very low	95 Å²	95	136.3 Å²	136.3	66%	0.664	77%	0.773	S	S	*	*			trans	-59.5	134	178.7	-58.9	0	0	0	0	111.5	L526 S530	L526-S528 VanDerWaalsContact C-N 3.33Å; L526-S528 PolarHBondContact O-N 3.34Å; L526-S528 VanDerWaalsContact O-N 3.16Å; S528-S530 PolarHBondContact O-N 2.78Å
529	S	19.3	Very low	21	Very low	127 Å²	127	134.5 Å²	134.5	89%	0.888	77%	0.773	S	S	*	*			trans	-82.4	90.2	-178.4	55.1	0	0	0	0	112
530	S	21	Very low	20.9	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	78%	0.775	S	S	*	*			trans	-158.3	97	167.7	58.3	0	0	0	0	112.9	S528	S528-S530 PolarHBondContact O-N 2.78Å
531	L	21.9	Very low	20.9	Very low	170 Å²	170	131.8 Å²	131.8	89%	0.89	77%	0.771	S	S	*	*			trans	-131.3	119.4	153	-165.4	69.4	0	0	0	107.5
532	P	22.4	Very low	20.9	Very low	116 Å²	116	131.7 Å²	131.7	75%	0.753	77%	0.77	S	S	*	*			trans	-67	151.7	-172.9	-23	34.3	0	0	0	113.9	Q534	P532-Q534 PolarHBondContact O-N 3.49Å; P532-Q534 VanDerWaalsContact O-N 3.13Å
533	T	20.9	Very low	21	Very low	133 Å²	133	129.5 Å²	129.5	82%	0.816	77%	0.769	S	S	*	*			trans	-66	104.8	166.3	45.4	0	0	0	0	110.4	Q535	T533-Q535 PolarHBondContact O-N 3.32Å
534	Q	21.6	Very low	21	Very low	195 Å²	195	128.6 Å²	128.6	91%	0.911	77%	0.773	S	S	*	*			trans	-78.3	118.1	170.7	-162.7	169.8	12.5	0	0	109.4	P532	P532-Q534 PolarHBondContact O-N 3.49Å; P532-Q534 VanDerWaalsContact O-N 3.13Å
535	Q	18.1	Very low	21.3	Very low	145 Å²	145	129.8 Å²	129.8	68%	0.678	78%	0.78	S	S	*	*			trans	-93.1	160	177.4	-61	177.8	-66.6	0	0	111.3	T533	T533-Q535 PolarHBondContact O-N 3.32Å
536	Y	17.2	Very low	21.2	Very low	194 Å²	194	130.1 Å²	130.1	76%	0.761	78%	0.778	S	S	*	*			trans	65.7	142.2	176.5	-52.5	-83.5	0	0	0	113.7
537	F	23.6	Very low	21.4	Very low	202 Å²	202	129.4 Å²	129.4	89%	0.886	77%	0.774	S	S	*	*			cis	-128.9	164.9	28.7	-95.5	-99.1	0	0	0	114.5
538	A	18.3	Very low	21.4	Very low	87 Å²	87	129.1 Å²	129.1	72%	0.719	77%	0.772	S	S	*	*			trans	-89.8	149.5	170	0	0	0	0	0	112
539	S	23	Very low	21.5	Very low	111 Å²	111	130.7 Å²	130.7	78%	0.776	77%	0.773	S	S	*	*			trans	-158.2	128.4	161.2	-81.8	0	0	0	0	110.8
540	S	19.8	Very low	21.9	Very low	113 Å²	113	131 Å²	131	79%	0.79	76%	0.763	S	S	*	*				35.4	137.3	122.6	-48.6	0	0	0	0	120
541	S	20.5	Very low	21.8	Very low	97 Å²	97	131.1 Å²	131.1	68%	0.678	76%	0.764	S	S	*	*			cis	-174.1	170.2	-3.3	48.9	0	0	0	0	111.7
542	S	21.5	Very low	21.9	Very low	95 Å²	95	128.3 Å²	128.3	66%	0.664	76%	0.759	S	S	*	*			trans	67.8	137.2	140.7	56.9	0	0	0	0	122
543	S	23.8	Very low	21.9	Very low	125 Å²	125	129.1 Å²	129.1	87%	0.874	76%	0.762	S	S	*	*			trans	61.2	143.4	157.1	57.7	0	0	0	0	120.6
544	G	21.2	Very low	21.8	Very low	68 Å²	68	128.2 Å²	128.2	70%	0.701	76%	0.76	S	S	*	*			cis	151.5	57.2	-8.2	0	0	0	0	0	117
545	V	27.6	Very low	21.9	Very low	140 Å²	140	126.7 Å²	126.7	85%	0.848	76%	0.756	S	S	*	*			trans	-144.3	112.9	169.5	-173	0	0	0	0	106.3
546	N	19.9	Very low	22.3	Very low	142 Å²	142	127.3 Å²	127.3	76%	0.759	76%	0.763	S	S	*	*			cis	87.8	145.5	33.7	-157.9	13.6	0	0	0	114.3
547	L	23.8	Very low	22.8	Very low	127 Å²	127	122.3 Å²	122.3	67%	0.665	75%	0.754	S	S	*	*			trans	87	104.7	172.6	-57	171.3	0	0	0	120
548	T	23.1	Very low	22.8	Very low	125 Å²	125	119.9 Å²	119.9	77%	0.767	75%	0.75	S	S	*	*			trans	69.9	155.2	138.4	68.2	0	0	0	0	118.7
549	N	23.1	Very low	23	Very low	129 Å²	129	120.4 Å²	120.4	69%	0.69	75%	0.749	S	S	*	*			cis	-154.7	166.1	9.3	-141.7	-7.4	0	0	0	112.4
550	I	26.5	Very low	23.1	Very low	132 Å²	132	120.1 Å²	120.1	68%	0.677	75%	0.747	S	S	*	*			trans	50.4	98.9	156.5	-59.6	155.3	0	0	0	116.3
551	S	19.3	Very low	23.2	Very low	107 Å²	107	119.9 Å²	119.9	75%	0.748	75%	0.745	S	S	*	*				72	96.4	59.5	84.1	0	0	0	0	116.6
552	S	24.8	Very low	23.3	Very low	112 Å²	112	121.4 Å²	121.4	78%	0.783	75%	0.75	S	S	*	*			trans	-163.1	118.6	156.1	56.8	0	0	0	0	114.1
553	V	21.6	Very low	23.5	Very low	133 Å²	133	123.4 Å²	123.4	81%	0.806	76%	0.759	S	S	*	*			trans	59.8	105.8	150	-168.6	0	0	0	0	120
554	C	20.1	Very low	23.4	Very low	114 Å²	114	122.7 Å²	122.7	77%	0.77	75%	0.754	S	S	*	*			trans	14.8	130.3	134.6	-46.8	0	0	0	0	118.2
555	I	23.2	Very low	23.6	Very low	162 Å²	162	125.1 Å²	125.1	83%	0.831	76%	0.755	S	S	*	*				-152.7	141.6	57.9	-79.7	166.3	0	0	0	111.6
556	L	26.2	Very low	23.4	Very low	159 Å²	159	123.9 Å²	123.9	83%	0.832	75%	0.752	S	S	*	*			trans	-127.7	168	159.1	-133.1	69.5	0	0	0	105.2
557	P	28.2	Very low	23.7	Very low	88 Å²	88	123.6 Å²	123.6	57%	0.571	75%	0.751	S	S	*	*			cis	-140.7	-169.7	3.3	43.1	-24.5	0	0	0	115.4
558	N	22.8	Very low	23.6	Very low	151 Å²	151	124.2 Å²	124.2	81%	0.807	75%	0.754	S	S	*	*			trans	71	156.1	148.7	-71.3	-6.8	0	0	0	118.1
559	S	23.7	Very low	23.6	Very low	98 Å²	98	123.5 Å²	123.5	69%	0.685	76%	0.761	S	S	*	*			cis	-153.6	179.7	-3.7	40.6	0	0	0	0	111.6
560	S	24.1	Very low	23.7	Very low	106 Å²	106	121.4 Å²	121.4	74%	0.741	76%	0.756	S	S	*	*			trans	59.9	92.6	147.3	52.6	0	0	0	0	117.9
561	S	22.3	Very low	23.6	Very low	107 Å²	107	124.9 Å²	124.9	75%	0.748	77%	0.766	S	S	*	*			trans	-63.9	172.7	138	49.9	0	0	0	0	111.5
562	V	22.2	Very low	23.8	Very low	130 Å²	130	125.4 Å²	125.4	79%	0.788	77%	0.77	S	S	*	*			trans	75.8	95.1	170.8	-166	0	0	0	0	116.6
563	T	26.1	Very low	23.7	Very low	137 Å²	137	126.5 Å²	126.5	84%	0.84	77%	0.772	S	S	*	*			trans	-147.4	112.1	136.4	14.3	0	0	0	0	109.5
564	S	21.7	Very low	23.8	Very low	110 Å²	110	126.8 Å²	126.8	77%	0.769	77%	0.774	S	S	*	*			trans	-81.9	113.3	165.6	51.2	0	0	0	0	108.8
565	V	24.9	Very low	24	Very low	119 Å²	119	124.8 Å²	124.8	72%	0.721	77%	0.773	S	S	*	*			trans	-97.7	119	169.2	-179	0	0	0	0	108.2	D567	V565-D567 PolarHBondContact O-N 3.17Å
566	S	23.2	Very low	24	Very low	113 Å²	113	122.9 Å²	122.9	79%	0.79	77%	0.774	S	S	*	*			trans	-90.5	95.2	-177.8	-57.6	0	0	0	0	110.3
567	D	26.1	Very low	24	Very low	137 Å²	137	123 Å²	123	73%	0.733	77%	0.773	S	S	*	*			trans	-92.6	117.5	175.9	-103.4	-48.4	0	0	0	113	V565	V565-D567 PolarHBondContact O-N 3.17Å
568	L	22.4	Very low	23.7	Very low	139 Å²	139	125.8 Å²	125.8	73%	0.728	78%	0.783	S	S	*	*			trans	34.4	91.8	158.7	-88	56.9	0	0	0	119
569	A	22.5	Very low	23.9	Very low	111 Å²	111	123.8 Å²	123.8	92%	0.917	78%	0.778	S	S	*	*			trans	-78.9	106.8	141.9	0	0	0	0	0	109.8
570	S	26	Very low	23.7	Very low	85 Å²	85	124 Å²	124	59%	0.594	78%	0.779	S	S	*	*			trans	-165.7	82.1	168.7	48.3	0	0	0	0	115.3
571	K	24.8	Very low	23.8	Very low	204 Å²	204	125.8 Å²	125.8	89%	0.887	78%	0.78	S	S	*	*			trans	-174.8	94.3	135.3	-102.9	156.5	-173.2	175.3	0	111.7
572	S	21.9	Very low	23.8	Very low	118 Å²	118	127.7 Å²	127.7	83%	0.825	78%	0.781	S	S	*	*			trans	-69.6	127.3	161	41.6	0	0	0	0	109.7
573	V	24.4	Very low	23.8	Very low	136 Å²	136	127.6 Å²	127.6	82%	0.824	78%	0.78	S	S	*	*			trans	-112.6	108.2	161	178.3	0	0	0	0	107
574	T	22.2	Very low	23.7	Very low	138 Å²	138	126.4 Å²	126.4	85%	0.847	78%	0.777	S	S	*	*			trans	-68.8	138.9	169.5	37.5	0	0	0	0	109.6
575	G	25	Very low	23.7	Very low	73 Å²	73	128.8 Å²	128.8	75%	0.753	78%	0.776	S	S	*	*			trans	-172.5	43.3	-170.3	0	0	0	0	0	114.7	I577	G575-I577 PolarHBondContact O-N 2.86Å
576	S	23.2	Very low	23.8	Very low	121 Å²	121	129.1 Å²	129.1	85%	0.846	78%	0.781	S	S	*	*			trans	-77.6	103.9	177.1	53.5	0	0	0	0	111.7
577	I	27.4	Very low	23.8	Very low	161 Å²	161	129.1 Å²	129.1	83%	0.826	78%	0.776	S	S	*	*			trans	-130.2	113.1	162	-58	-178.1	0	0	0	108.5	G575	G575-I577 PolarHBondContact O-N 2.86Å
578	L	21.4	Very low	23.8	Very low	148 Å²	148	128.8 Å²	128.8	78%	0.775	78%	0.779	S	S	*	*			trans	-127.9	102.8	175.6	-172.9	136.9	0	0	0	108.5	S580	L578-S580 PolarHBondContact O-N 3.2Å
579	P	26	Very low	24.1	Very low	108 Å²	108	129.7 Å²	129.7	70%	0.701	78%	0.783	S	S	*	*			trans	-87.2	86.4	176.8	32.2	-29.4	0	0	0	110	I581	P579-I581 PolarHBondContact O-N 3.4Å
580	S	21	Very low	24.2	Very low	102 Å²	102	129.6 Å²	129.6	71%	0.713	77%	0.773	S	S	*	*			trans	-75.1	115.8	169.4	53	0	0	0	0	110.4	L578	L578-S580 PolarHBondContact O-N 3.2Å
581	I	24.5	Very low	24.1	Very low	145 Å²	145	131.1 Å²	131.1	74%	0.744	78%	0.779	S	S	*	*			trans	-122.5	118.4	175.8	-66.6	-178.9	0	0	0	109.8	P579	P579-I581 PolarHBondContact O-N 3.4Å
582	L	22.5	Very low	24.1	Very low	147 Å²	147	128 Å²	128	77%	0.77	78%	0.776	S	S	*	*			trans	24.4	114.7	150	-62.8	160.2	0	0	0	116.7
583	V	21.9	Very low	24	Very low	128 Å²	128	127.2 Å²	127.2	78%	0.776	77%	0.771	S	S	*	*			cis	53.9	92.5	43.5	-167.7	0	0	0	0	113.1
584	S	25.2	Very low	24	Very low	112 Å²	112	127.2 Å²	127.2	78%	0.783	77%	0.771	S	S	*	*			trans	-143.6	94.5	159.9	43.5	0	0	0	0	109.3
585	Q	22.3	Very low	23.9	Very low	160 Å²	160	130 Å²	130	75%	0.748	77%	0.772	S	S	*	*			trans	-77.1	139.6	168.9	-70.8	179	-39.8	0	0	110
586	P	26	Very low	23.9	Very low	126 Å²	126	137.6 Å²	137.6	82%	0.818	78%	0.779	S	S	*	*			trans	-98.8	110.8	141.9	-12.7	30.5	0	0	0	109.3
587	T	23.9	Very low	23.8	Very low	112 Å²	112	136.4 Å²	136.4	69%	0.687	78%	0.776	S	S	*	*			trans	-79.6	128.5	171.7	5.6	0	0	0	0	110
588	T	26.5	Very low	23.8	Very low	131 Å²	131	136.2 Å²	136.2	80%	0.804	78%	0.776	S	S	*	*			trans	-156.3	119.4	154.3	-12.3	0	0	0	0	110.9
589	I	27.9	Very low	24	Very low	157 Å²	157	135.2 Å²	135.2	81%	0.805	78%	0.779	S	S	*	*			trans	-120.6	121.1	168.8	-65.2	168.7	0	0	0	104.5
590	P	25.4	Very low	23.8	Very low	109 Å²	109	137.6 Å²	137.6	71%	0.708	79%	0.785	S	S	*	*				-140.9	139.8	116.9	31.3	-14.9	0	0	0	115
591	T	22.5	Very low	23.9	Very low	118 Å²	118	141.5 Å²	141.5	72%	0.724	79%	0.792	S	S	*	*			trans	-27.8	141	147.8	52.1	0	0	0	0	116.1
592	V	24.5	Very low	23.8	Very low	137 Å²	137	139.3 Å²	139.3	83%	0.83	79%	0.789	S	S	*	*				177.2	149	106.9	151.5	0	0	0	0	109.4
593	S	21.1	Very low	23.9	Very low	102 Å²	102	140.6 Å²	140.6	71%	0.713	79%	0.793	S	S	*	*			trans	-85.7	147.6	176.8	51.8	0	0	0	0	112.9
594	V	24.3	Very low	24.3	Very low	136 Å²	136	139.5 Å²	139.5	82%	0.824	79%	0.789	S	S	*	*				177.8	158.2	126.5	147.5	0	0	0	0	110
595	K	20.3	Very low	24.4	Very low	197 Å²	197	140.1 Å²	140.1	86%	0.857	79%	0.79	S	S	*	*			trans	-64.6	134.8	-178.1	-61.8	168.5	178.6	172.6	0	112.4
596	Y	23.9	Very low	24.4	Very low	233 Å²	233	139 Å²	139	91%	0.914	79%	0.794	S	S	*	*			trans	-87.7	153.6	148.5	-85.8	-91.3	0	0	0	110.4
597	A	21.7	Very low	24.1	Very low	95 Å²	95	138.5 Å²	138.5	79%	0.785	79%	0.792	S	S	*	*			trans	-124.5	154.9	171.3	0	0	0	0	0	110.6
598	L	27	Very low	23.9	Very low	157 Å²	157	139.2 Å²	139.2	82%	0.822	80%	0.796	S	S	*	*			trans	-32	147.4	170.3	-79.6	158.3	0	0	0	115.3
599	P	25.7	Very low	23.6	Very low	127 Å²	127	138.3 Å²	138.3	83%	0.825	79%	0.791	S	S	*	*				-127.4	170.5	80.8	38.3	-30.7	0	0	0	116.1
600	L	21.8	Very low	23.2	Very low	159 Å²	159	138.4 Å²	138.4	83%	0.832	79%	0.791	S	S	*	*			trans	-101.1	138.7	173.7	176.4	75.3	0	0	0	108.5
601	E	22.5	Very low	23	Very low	183 Å²	183	139.5 Å²	139.5	86%	0.855	79%	0.791	S	S	*	*			trans	-121.3	146.1	168.1	-170.2	163.8	-133.1	0	0	110.4
602	S	23.5	Very low	22.9	Very low	99 Å²	99	144 Å²	144	69%	0.692	80%	0.801	S	S	*	*			trans	-119.7	124.7	-167.5	57.4	0	0	0	0	112.3
603	M	24.5	Very low	22.9	Very low	174 Å²	174	146.1 Å²	146.1	86%	0.857	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-102.6	131.4	166.4	-83.7	-70	118.6	0	0	110.7
604	P	30.4	Very low	23.3	Very low	105 Å²	105	145.6 Å²	145.6	68%	0.682	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-81.4	159.2	-173.6	32.8	-35.8	0	0	0	113.3
605	P	27.4	Very low	23.1	Very low	126 Å²	126	146 Å²	146	82%	0.818	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-76.1	142.9	-179.3	31.3	-35.4	0	0	0	112.9	C607	P605-C607 PolarHBondContact O-N 2.84Å
606	V	21	Very low	23.3	Very low	136 Å²	136	144.1 Å²	144.1	82%	0.824	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-71	124	172.4	178.6	0	0	0	0	109.9	V608	V606-V608 HydrophobicContact CG1-CG2 4.12Å
607	C	20.3	Very low	23	Very low	115 Å²	115	141.5 Å²	141.5	78%	0.777	79%	0.785	S	S	*	*			trans	-113.1	124.5	171.2	-170.2	0	0	0	0	108.7	P605	P605-C607 PolarHBondContact O-N 2.84Å
608	V	18.9	Very low	23.1	Very low	128 Å²	128	144.2 Å²	144.2	78%	0.776	78%	0.783	S	S	*	*			trans	-105.3	111.5	178	-178.2	0	0	0	0	109.2	V606	V606-V608 HydrophobicContact CG1-CG2 4.12Å
609	T	21.9	Very low	22.8	Very low	111 Å²	111	145.2 Å²	145.2	68%	0.681	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-76.8	137.1	-178.6	-44.2	0	0	0	0	111.3
610	I	18.5	Very low	22.6	Very low	160 Å²	160	142.7 Å²	142.7	82%	0.821	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-101.2	130.2	161.8	-64.2	-179.7	0	0	0	108.6
611	N	20.8	Very low	22.6	Very low	131 Å²	131	142.5 Å²	142.5	70%	0.701	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-71.8	145.2	-172.9	-70.3	-39	0	0	0	113.4
612	K	21.6	Very low	22.6	Very low	214 Å²	214	139.4 Å²	139.4	93%	0.93	77%	0.774	S	S	*	*			trans	-117.7	110	143	-82.1	-170.3	172.1	-174.8	0	108.3
613	Q	24.6	Very low	22.5	Very low	181 Å²	181	144 Å²	144	85%	0.846	79%	0.785	S	S	*	*			trans	-98	166.5	169.9	-99.1	-155.1	-18.5	0	0	110.8
614	P	29.4	Very low	22.5	Very low	91 Å²	91	143.3 Å²	143.3	59%	0.591	78%	0.783	S	S	*	*			trans	-130.8	-169.7	-132.6	45.1	-31.5	0	0	0	115.4
615	N	20.4	Very low	22.4	Very low	143 Å²	143	143.6 Å²	143.6	77%	0.765	79%	0.785	S	S	*	*			trans	61.3	103.9	153.3	-60.6	-15.8	0	0	0	119.2
616	L	22.7	Very low	22.2	Very low	158 Å²	158	142.1 Å²	142.1	83%	0.827	78%	0.783	S	S	*	*			trans	-142.8	105.4	142.8	-79.1	-176.4	0	0	0	112.7
617	F	18.6	Very low	22.3	Very low	178 Å²	178	140.1 Å²	140.1	78%	0.781	78%	0.781	S	S	*	*			trans	56.6	155.6	141.7	-77.2	-96.8	0	0	0	124
618	M	23.1	Very low	22.5	Very low	152 Å²	152	141.4 Å²	141.4	75%	0.749	79%	0.785	S	S	*	*			trans	70.1	137.8	169.6	-49.9	-45.8	-161.4	0	0	117.2
619	H	21	Very low	22.7	Very low	179 Å²	179	141.7 Å²	141.7	83%	0.829	79%	0.787	S	S	*	*			cis	-164.5	137	-24.8	-129.3	44.3	0	0	0	106.4
620	G	22.5	Very low	22.8	Very low	73 Å²	73	141.6 Å²	141.6	75%	0.753	79%	0.791	S	S	*	*			trans	166.6	106.2	179.6	0	0	0	0	0	116.1	T622	G620-T622 PolarHBondContact O-N 3.29Å
621	N	21.8	Very low	23	Very low	155 Å²	155	145.7 Å²	145.7	83%	0.829	80%	0.797	S	S	*	*			trans	-76.3	117.2	-171.7	-68	-6	0	0	0	114.6
622	T	21.6	Very low	23.6	Very low	118 Å²	118	144.5 Å²	144.5	72%	0.724	80%	0.796	S	S	*	*				26.7	122.9	120.8	61.1	0	0	0	0	120.9	G620	G620-T622 PolarHBondContact O-N 3.29Å
623	Q	22.4	Very low	23.7	Very low	196 Å²	196	140.1 Å²	140.1	92%	0.916	79%	0.787	S	S	*	*			trans	-156.6	162.5	140	-113.7	171.8	41	0	0	112.5
624	I	23.9	Very low	23.6	Very low	159 Å²	159	138.8 Å²	138.8	82%	0.815	79%	0.785	S	S	*	*			trans	-158.8	149.9	-153.6	-96.5	165.5	0	0	0	107.1
625	P	29.1	Very low	23.3	Very low	112 Å²	112	139 Å²	139	73%	0.727	79%	0.789	S	S	*	*			cis	-147.1	-169.1	39.1	43.6	-23.3	0	0	0	118.1
626	A	22	Very low	23.5	Very low	94 Å²	94	137.1 Å²	137.1	78%	0.777	79%	0.787	S	S	*	*			trans	70.8	121.7	140.6	0	0	0	0	0	123.2
627	A	23.9	Very low	23.7	Very low	95 Å²	95	134.9 Å²	134.9	79%	0.785	78%	0.784	S	S	*	*				170.5	114.5	104.5	0	0	0	0	0	113.5
628	T	23.9	Very low	23.9	Very low	142 Å²	142	133.8 Å²	133.8	87%	0.871	79%	0.786	S	S	*	*			trans	-159	131.8	166.9	39.6	0	0	0	0	111.9
629	T	22.6	Very low	24.2	Very low	133 Å²	133	132 Å²	132	82%	0.816	79%	0.786	S	S	*	*			trans	-151.6	162.6	179.3	44	0	0	0	0	113.5
630	S	23.7	Very low	24.5	Very low	110 Å²	110	128.8 Å²	128.8	77%	0.769	78%	0.78	S	S	*	*			trans	71.9	129.9	158.4	40.4	0	0	0	0	121.7
631	W	23.3	Very low	24.5	Very low	245 Å²	245	132.4 Å²	132.4	93%	0.928	78%	0.781	S	S	*	*			trans	-89.5	-150.6	158.5	-61.2	-8.6	0	0	0	109
632	P	33.2	Very low	24.4	Very low	106 Å²	106	132.3 Å²	132.3	69%	0.688	78%	0.78	S	S	*	*			cis	-145.6	-156.2	-2.9	38.4	-12.8	0	0	0	116.3
633	V	23.5	Very low	24.4	Very low	123 Å²	123	131.6 Å²	131.6	75%	0.745	78%	0.779	S	S	*	*			trans	74.8	132.7	153.6	164.6	0	0	0	0	116
634	L	23.7	Very low	24.3	Very low	152 Å²	152	132.4 Å²	132.4	80%	0.796	78%	0.78	S	S	*	*			cis	-158.4	-164	-3.5	-142.2	59.1	0	0	0	107.4
635	S	23.4	Very low	24.2	Very low	96 Å²	96	132.9 Å²	132.9	67%	0.671	78%	0.783	S	S	*	*			cis	-162	-171.6	7.2	-150.7	0	0	0	0	114.9
636	S	23.8	Very low	23.8	Very low	104 Å²	104	132.4 Å²	132.4	73%	0.727	78%	0.783	S	S	*	*			trans	-44.7	164.9	166.9	60.3	0	0	0	0	118.3
637	S	27.7	Very low	23.9	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	78%	0.784	S	S	*	*			cis	-154.4	155.3	20.1	52.4	0	0	0	0	115.6
638	N	22.2	Very low	23.8	Very low	155 Å²	155	135.1 Å²	135.1	83%	0.829	78%	0.78	S	S	*	*			trans	-74.6	-176.9	164.8	-70.5	-29.5	0	0	0	112.7
639	P	29.8	Very low	23.8	Very low	114 Å²	114	137.9 Å²	137.9	74%	0.74	78%	0.783	S	S	*	*			cis	-120.6	-172.3	-14.8	25.2	-0.9	0	0	0	111.9
640	T	25.6	Very low	23.9	Very low	113 Å²	113	135.2 Å²	135.2	69%	0.693	77%	0.77	S	S	*	*				174.8	143.7	77.9	-57.1	0	0	0	0	112.5
641	L	22.4	Very low	23.8	Very low	148 Å²	148	140.1 Å²	140.1	78%	0.775	78%	0.777	S	S	*	*			trans	45.4	101	163.2	-72.7	168.9	0	0	0	121.5
642	L	20.1	Very low	23.7	Very low	154 Å²	154	135.3 Å²	135.3	81%	0.806	77%	0.768	S	S	*	*				12.7	120.8	117.2	-65.4	164.3	0	0	0	118.2
643	S	22.1	Very low	23.2	Very low	103 Å²	103	134.9 Å²	134.9	72%	0.72	77%	0.768	S	S	*	*				-175.6	145.7	110.8	-80	0	0	0	0	113.4
644	F	19.8	Very low	23.2	Very low	212 Å²	212	136.7 Å²	136.7	93%	0.93	77%	0.772	S	S	*	*			trans	58.9	109.8	172.8	-63.7	-70.1	0	0	0	119.3
645	L	21.5	Very low	23.1	Very low	169 Å²	169	137.3 Å²	137.3	89%	0.885	77%	0.77	S	S	*	*			trans	-76.4	146	-178.9	-72	158.4	0	0	0	113.9
646	S	22.7	Very low	23.3	Very low	102 Å²	102	138.5 Å²	138.5	71%	0.713	78%	0.776	S	S	*	*			trans	62.6	145.7	140.6	-102.1	0	0	0	0	120.3
647	S	23	Very low	23.3	Very low	114 Å²	114	142.9 Å²	142.9	80%	0.797	78%	0.782	S	S	*	*			cis	-133.8	140.3	27.5	-65.2	0	0	0	0	114.8
648	N	22.9	Very low	23.2	Very low	132 Å²	132	143 Å²	143	71%	0.706	78%	0.779	S	S	*	*			trans	-80.9	140.2	167.4	-75.3	-64.8	0	0	0	111.5
649	Q	23.2	Very low	23.3	Very low	201 Å²	201	142.3 Å²	142.3	94%	0.939	78%	0.781	S	S	*	*			trans	-127.8	70.2	139	-77.4	-160	-7.5	0	0	109	K651	Q649-K651 PolarHBondContact O-N 3.11Å; Q649-K651 VanDerWaalsContact O-N 3.11Å
650	S	25	Very low	23	Very low	76 Å²	76	143.6 Å²	143.6	53%	0.531	78%	0.78	S	S	.	*			trans	-73.2	97.2	175.9	35.8	0	0	0	0	110.8	I652	S650-I652 PolarHBondContact O-N 2.88Å
651	K	20.5	Very low	23	Very low	213 Å²	213	143.7 Å²	143.7	93%	0.926	78%	0.783	S	S	*	*			trans	-44.4	106	158.4	175.2	-171.6	-178	-179.3	0	110.9	Q649	Q649-K651 PolarHBondContact O-N 3.11Å; Q649-K651 VanDerWaalsContact O-N 3.11Å
652	I	22.6	Very low	23	Very low	145 Å²	145	143.5 Å²	143.5	74%	0.744	79%	0.787	S	S	*	*			trans	-116.9	133.8	171.4	-65.5	178.8	0	0	0	109.5	S650	S650-I652 PolarHBondContact O-N 2.88Å
653	S	20.8	Very low	23.1	Very low	97 Å²	97	140.9 Å²	140.9	68%	0.678	78%	0.781	S	S	*	*			trans	-91.2	127.1	-179.5	169.8	0	0	0	0	110.7
654	I	24.2	Very low	23.2	Very low	161 Å²	161	143.1 Å²	143.1	83%	0.826	79%	0.791	S	S	*	*			trans	-94.2	114.3	161.2	-60.5	177.1	0	0	0	107.5
655	Q	22.1	Very low	23.3	Very low	165 Å²	165	136 Å²	136	77%	0.771	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-89.5	125.7	169.1	-76.1	-169.4	-11.4	0	0	110.3
656	P	28	Very low	23.4	Very low	120 Å²	120	136.1 Å²	136.1	78%	0.779	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-66.4	132.4	152.9	-13.5	29.8	0	0	0	108.9
657	K	22.2	Very low	23.3	Very low	197 Å²	197	135.6 Å²	135.6	86%	0.857	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-78.7	144.9	-176.2	-150.8	168.5	-175.9	179.4	0	110.5
658	P	26.6	Very low	23.2	Very low	111 Å²	111	135.3 Å²	135.3	72%	0.721	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-69	142.1	-174.3	-19.5	32.6	0	0	0	113.4
659	V	23.9	Very low	23.3	Very low	141 Å²	141	135.3 Å²	135.3	86%	0.855	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-76.1	137.8	161.5	177.7	0	0	0	0	108.5	P661	V659-P661 WeakPolarHBondContact O-CD 3.36Å
660	I	24.5	Very low	23.1	Very low	142 Å²	142	132.3 Å²	132.3	73%	0.728	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-97.2	117	-171.5	-62.3	164.7	0	0	0	110
661	P	24.6	Very low	23.1	Very low	115 Å²	115	136.5 Å²	136.5	75%	0.747	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-72.8	141.9	158.6	-10.1	28.1	0	0	0	109.6	V659	V659-P661 WeakPolarHBondContact O-CD 3.36Å
662	V	23.8	Very low	23.2	Very low	144 Å²	144	132.9 Å²	132.9	87%	0.873	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-69.5	140.9	-173.1	178.2	0	0	0	0	112.1
663	S	21	Very low	23.1	Very low	98 Å²	98	133.4 Å²	133.4	69%	0.685	77%	0.773	S	S	*	*			trans	-77.9	-170.6	178.3	-51.3	0	0	0	0	113.3
664	V	25.1	Very low	23.2	Very low	151 Å²	151	138 Å²	138	92%	0.915	78%	0.783	S	S	*	*			trans	84	129.2	175.2	-169.6	0	0	0	0	114
665	G	20.4	Very low	22.9	Very low	61 Å²	61	139 Å²	139	63%	0.629	78%	0.784	S	S	*	*			cis	165.9	107.6	-10.7	0	0	0	0	0	115
666	L	24.5	Very low	23	Very low	173 Å²	173	136.9 Å²	136.9	91%	0.906	79%	0.788	S	S	*	*			trans	-141.1	111.4	156.9	-63.2	172	0	0	0	104.7
667	A	20.5	Very low	22.6	Very low	90 Å²	90	136.4 Å²	136.4	74%	0.744	79%	0.787	S	S	*	*			cis	65.6	86.7	47.8	0	0	0	0	0	112.6
668	S	21.1	Very low	22.7	Very low	109 Å²	109	134.3 Å²	134.3	76%	0.762	79%	0.785	S	S	*	*				177.2	155.7	112.9	-89.8	0	0	0	0	113.5
669	D	24.1	Very low	22.5	Very low	131 Å²	131	135.7 Å²	135.7	70%	0.701	79%	0.786	S	S	*	*			trans	62.2	86.7	155	-58.3	-41.8	0	0	0	122.7
670	N	20.6	Very low	22.4	Very low	139 Å²	139	136.4 Å²	136.4	74%	0.743	79%	0.785	S	S	*	*				38.2	115.4	103.5	-57.2	-55.6	0	0	0	118.7
671	L	24.7	Very low	22.4	Very low	163 Å²	163	137.5 Å²	137.5	85%	0.853	79%	0.793	S	S	*	*				-161.3	152.9	122.2	-111.3	166.2	0	0	0	113.8
672	L	20.8	Very low	22.4	Very low	138 Å²	138	143 Å²	143	72%	0.723	80%	0.798	S	S	*	*			trans	-51.8	133.5	-175	-90	65.7	0	0	0	113.8
673	Q	20.6	Very low	22.5	Very low	156 Å²	156	143.3 Å²	143.3	73%	0.729	80%	0.795	S	S	*	*				73.3	99.4	72.8	-173.5	-165.1	12.8	0	0	113.7
674	Q	23.3	Very low	22.6	Very low	193 Å²	193	146.1 Å²	146.1	90%	0.902	80%	0.802	S	S	*	*			trans	-150.7	135.4	139.7	-139.6	173.6	17.9	0	0	111.4
675	Q	19.1	Very low	22.5	Very low	182 Å²	182	145 Å²	145	85%	0.85	80%	0.796	S	S	*	*			trans	-98.8	133.3	173.4	-64.8	165.7	-57.1	0	0	109.1
676	S	23.1	Very low	22.6	Very low	121 Å²	121	149.5 Å²	149.5	85%	0.846	80%	0.804	S	S	*	*			trans	-149.4	105.2	159.7	55.3	0	0	0	0	110.6
677	S	19.7	Very low	22.4	Very low	110 Å²	110	152.3 Å²	152.3	77%	0.769	80%	0.802	S	S	*	*			trans	-78.8	137.4	170.1	45.6	0	0	0	0	110.3
678	L	23.7	Very low	22.6	Very low	152 Å²	152	153.6 Å²	153.6	80%	0.796	80%	0.801	S	S	*	*				-167.5	152.6	128.6	-130.4	69.5	0	0	0	114.3
679	N	23.7	Very low	22.6	Very low	140 Å²	140	157 Å²	157	75%	0.749	81%	0.805	S	S	*	*			trans	42.5	112.4	157.8	-77.6	-11.5	0	0	0	120.9
680	N	21	Very low	22.6	Very low	156 Å²	156	158.2 Å²	158.2	83%	0.834	81%	0.811	S	S	*	*			trans	-46.2	134.4	146	-55.2	-72.7	0	0	0	111.7
681	N	25.6	Very low	22.8	Very low	166 Å²	166	154.2 Å²	154.2	89%	0.888	80%	0.802	S	S	*	*				-145.1	139.1	129.4	-122.6	-27.5	0	0	0	109.8
682	R	23.3	Very low	23.1	Very low	231 Å²	231	155.1 Å²	155.1	87%	0.872	81%	0.807	S	S	*	*			trans	-84.6	119.5	-175.9	-74.8	175.3	170.6	164.5	-4.6	110
683	D	26.9	Very low	23.5	Very low	150 Å²	150	155.6 Å²	155.6	80%	0.802	81%	0.81	S	S	*	*			trans	-139.1	134	152.6	-107.2	-43.4	0	0	0	110.2	T685	D683-T685 VanDerWaalsContact C-N 3.31Å; D683-T685 PolarHBondContact O-N 3.47Å
684	N	23.3	Very low	23.7	Very low	156 Å²	156	151.8 Å²	151.8	83%	0.834	81%	0.812	S	S	*	*			trans	-78.9	71	-162.5	-74.1	-30.2	0	0	0	113.1	I686	N684-I686 PolarHBondContact O-N 3.25Å
685	T	22.7	Very low	23.8	Very low	127 Å²	127	151 Å²	151	78%	0.779	81%	0.809	S	S	*	*			trans	-83.9	104.1	166.7	41.7	0	0	0	0	110.6	D683 R687	D683-T685 VanDerWaalsContact C-N 3.31Å; D683-T685 PolarHBondContact O-N 3.47Å; T685-R687 PolarHBondContact O-N 3.44Å
686	I	22.6	Very low	24.1	Very low	156 Å²	156	148.1 Å²	148.1	80%	0.8	80%	0.803	S	S	*	*			trans	-67.9	96.8	174.3	-58.7	175.9	0	0	0	108.6	N684 V688	N684-I686 PolarHBondContact O-N 3.25Å; I686-V688 PolarHBondContact O-N 2.93Å
687	R	19.7	Very low	24	Very low	232 Å²	232	153.9 Å²	153.9	88%	0.875	81%	0.806	S	S	*	*			trans	-63.8	102.7	166.7	-84.2	-169.9	171.6	-156.4	-0.6	108.9	T685 Q689	T685-R687 PolarHBondContact O-N 3.44Å; R687-Q689 PolarHBondContact O-N 3.05Å
688	V	24.3	Very low	24.2	Very low	117 Å²	117	156.3 Å²	156.3	71%	0.709	81%	0.806	S	S	*	*			trans	-66.7	101.6	162.3	179.9	0	0	0	0	107	I686 L690	I686-V688 PolarHBondContact O-N 2.93Å; V688-L690 WeakPolarHBondContact O-CD1 3.35Å; V688-L690 PolarHBondContact O-N 3.43Å
689	Q	22.3	Very low	24.2	Very low	181 Å²	181	154.6 Å²	154.6	85%	0.846	81%	0.807	S	S	*	*			trans	-80.4	103	-177.7	-170.4	166.9	-5	0	0	109	R687 G691	R687-Q689 PolarHBondContact O-N 3.05Å; Q689-G691 PolarHBondContact O-N 3.14Å
690	L	23.3	Very low	24.3	Very low	157 Å²	157	156.1 Å²	156.1	82%	0.822	81%	0.814	S	S	*	*			trans	-65.9	102.8	178.3	-82.6	75.7	0	0	0	110	V688	V688-L690 WeakPolarHBondContact O-CD1 3.35Å; V688-L690 PolarHBondContact O-N 3.43Å
691	G	24.8	Very low	24.3	Very low	55 Å²	55	151.6 Å²	151.6	57%	0.567	80%	0.804	S	S	*	*			trans	-68.5	141.6	161.3	0	0	0	0	0	110.3	Q689 N693	Q689-G691 PolarHBondContact O-N 3.14Å; G691-N693 PolarHBondContact O-N 3.33Å
692	L	30.5	Very low	24.1	Very low	182 Å²	182	149.5 Å²	149.5	95%	0.953	80%	0.802	S	S	*	*	S	Bend	trans	-59.7	-18.6	-171.3	-96.2	146.1	0	0	0	115.5
693	N	30.1	Very low	24.2	Very low	148 Å²	148	146.7 Å²	146.7	79%	0.791	80%	0.799	S	S	*	*	S	Bend	trans	-111.4	100.4	172.9	-71.9	-27.6	0	0	0	110.1	G691 Q695	G691-N693 PolarHBondContact O-N 3.33Å; N693-Q695 PolarHBondContact O-N 3.16Å
694	G	25.4	Very low	24	Very low	75 Å²	75	145 Å²	145	77%	0.773	80%	0.796	S	S	*	*			trans	-71.9	46.5	-170.4	0	0	0	0	0	117.1	V696	G694-V696 PolarHBondContact O-N 2.77Å; G694-V696 VanDerWaalsContact O-N 3.13Å
695	Q	25.3	Very low	24	Very low	176 Å²	176	150.1 Å²	150.1	82%	0.822	80%	0.804	S	S	*	*			trans	-77.9	93.2	177.1	-69.9	-169.6	-4.6	0	0	112	N693 R697	N693-Q695 PolarHBondContact O-N 3.16Å; Q695-R697 PolarHBondContact O-N 2.85Å
696	V	24.5	Very low	24	Very low	122 Å²	122	148.5 Å²	148.5	74%	0.739	80%	0.798	S	S	*	*			trans	-70	99.7	171.4	-174.1	0	0	0	0	109.8	G694 Q698	G694-V696 PolarHBondContact O-N 2.77Å; G694-V696 VanDerWaalsContact O-N 3.13Å; V696-Q698 VanDerWaalsContact C-N 3.27Å; V696-Q698 HydrophobicContact CG1-CG 4.05Å; V696-Q698 PolarHBondContact O-N 3.13Å
697	R	21.8	Very low	24	Very low	242 Å²	242	148.6 Å²	148.6	91%	0.913	80%	0.799	S	S	*	*			trans	-67.7	82.1	167.4	-81.5	-173.5	169.2	-171.9	-2.8	110.6	Q695 S699	Q695-R697 PolarHBondContact O-N 2.85Å; R697-S699 PolarHBondContact O-N 2.73Å
698	Q	24.1	Very low	24.2	Very low	162 Å²	162	141.6 Å²	141.6	76%	0.757	78%	0.784	S	S	*	*			trans	-72.9	113.4	159.5	-74.2	-174.4	-6.7	0	0	108.6	V696 L700	V696-Q698 VanDerWaalsContact C-N 3.27Å; V696-Q698 HydrophobicContact CG1-CG 4.05Å; V696-Q698 PolarHBondContact O-N 3.13Å; Q698-L700 PolarHBondContact O-N 2.86Å
699	S	22.9	Very low	24.1	Very low	116 Å²	116	144.9 Å²	144.9	81%	0.811	78%	0.783	S	S	*	*			trans	-64.8	119.3	166.9	35.8	0	0	0	0	109	R697 G701	R697-S699 PolarHBondContact O-N 2.73Å; S699-G701 VanDerWaalsContact C-N 3.35Å; S699-G701 PolarHBondContact O-N 3.17Å
700	L	25.8	Very low	24.3	Very low	172 Å²	172	142.2 Å²	142.2	90%	0.901	78%	0.779	S	S	*	*			trans	-69	94.3	174.2	-85	79.3	0	0	0	109.3	Q698	Q698-L700 PolarHBondContact O-N 2.86Å
701	G	20.8	Very low	24.4	Very low	60 Å²	60	140.6 Å²	140.6	62%	0.619	77%	0.771	S	S	*	*			trans	-55.6	140.1	160.8	0	0	0	0	0	109.9	S699 Q703	S699-G701 VanDerWaalsContact C-N 3.35Å; S699-G701 PolarHBondContact O-N 3.17Å; G701-Q703 PolarHBondContact O-N 3.27Å
702	S	22.7	Very low	24.7	Very low	123 Å²	123	143.1 Å²	143.1	86%	0.86	78%	0.777	S	S	*	*			trans	-60.9	96.6	-171.7	34.9	0	0	0	0	112.6
703	Q	24.4	Very low	25.1	Very low	171 Å²	171	139.2 Å²	139.2	80%	0.799	76%	0.755	S	S	*	*			trans	-67.2	134.8	170.6	-75.4	-151	-23.1	0	0	110.6	G701	G701-Q703 PolarHBondContact O-N 3.27Å
704	P	23.1	Very low	25.9	Very low	116 Å²	116	138.9 Å²	138.9	75%	0.753	75%	0.753	S	S	*	*			trans	-66.5	149.9	176.4	28.6	-34.7	0	0	0	110.9	S706	P704-S706 PolarHBondContact O-N 3.26Å
705	R	22.7	Very low	27.1	Very low	262 Å²	262	140.1 Å²	140.1	99%	0.989	74%	0.738	S	S	*	*			trans	-56.5	94.6	-176.5	-63.9	178.2	-177.5	171.3	-0.4	111.8
706	S	22.6	Very low	28.7	Very low	93 Å²	93	133.9 Å²	133.9	65%	0.65	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-96.5	151.5	161.7	46.8	0	0	0	0	108.8	P704	P704-S706 PolarHBondContact O-N 3.26Å
707	L	23.1	Very low	30.5	Very low	158 Å²	158	131.7 Å²	131.7	83%	0.827	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-53.8	138.8	-180	-74.9	163.7	0	0	0	110.3	R709	L707-R709 PolarHBondContact O-N 3.4Å
708	P	23.9	Very low	32.8	Very low	86 Å²	86	120.7 Å²	120.7	56%	0.558	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-58.6	119.8	-176.5	23.8	-33.1	0	0	0	109.5	V710 I825	P708-V710 PolarHBondContact O-N 2.99Å; P708-I825 HydrophobicContact CG-CG2 4.34Å
709	R	23.2	Very low	34.9	Very low	185 Å²	185	114.1 Å²	114.1	70%	0.698	63%	0.63	S	S	*	*			trans	-54.3	115.5	164.3	-80.8	177.2	168.6	152	-7.3	107.1	L707 L711	L707-R709 PolarHBondContact O-N 3.4Å; R709-L711 PolarHBondContact O-N 3.31Å
710	V	26.4	Very low	37	Very low	125 Å²	125	109.6 Å²	109.6	76%	0.758	60%	0.597	S	S	*	*			trans	-65.2	89.3	152.3	-178	0	0	0	0	105.2	P708 T829	P708-V710 PolarHBondContact O-N 2.99Å; V710-T829 HydrophobicContact CG2-CG2 4.44Å
711	L	25	Very low	39.2	Very low	124 Å²	124	102.1 Å²	102.1	65%	0.649	56%	0.559	S	S	*	*			trans	-54.1	132.7	168.2	-79.4	155.1	0	0	0	106.8	R709 M713	R709-L711 PolarHBondContact O-N 3.31Å; L711-M713 PolarHBondContact O-N 2.92Å; L711-M713 VanDerWaalsContact O-N 3.12Å
712	P	30.5	Very low	41.2	Very low	108 Å²	108	105.4 Å²	105.4	70%	0.701	57%	0.569	S	S	*	*			trans	-51.6	125	165.4	-22.8	33.3	0	0	0	107.6	L714	P712-L714 VanDerWaalsContact C-N 3.27Å; P712-L714 PolarHBondContact O-N 2.77Å
713	M	40	Very low	43.4	Very low	100 Å²	100	101.3 Å²	101.3	49%	0.493	54%	0.54	S	S	.	.			trans	-65.2	93.4	176.8	-79.5	-176.9	68.1	0	0	108	L711 E715 V716 T727	L711-M713 PolarHBondContact O-N 2.92Å; L711-M713 VanDerWaalsContact O-N 3.12Å; M713-E715 WeakPolarHBondContact CE-O 3.43Å; M713-E715 PolarHBondContact O-N 3.26Å; M713-V716 HydrophobicContact CB-CG2 4.42Å; M713-V716 HydrophobicContact CE-CG2 4.12Å; M713-T727 WeakPolarHBondContact O-CG2 3.26Å; M713-T727 PolarHBondContact O-OG1 3.47Å
714	L	46.4	Very low	45.4	Very low	141 Å²	141	97.6 Å²	97.6	74%	0.738	53%	0.526	S	S	*	.	S	Bend	trans	-58.9	-29.2	175.2	-76.9	157.2	0	0	0	110.5	P712 P726 T727	P712-L714 VanDerWaalsContact C-N 3.27Å; P712-L714 PolarHBondContact O-N 2.77Å; L714-P726 CarbonylContact O-C 3.57Å; L714-P726 VanDerWaalsContact O-CA 3.26Å; L714-P726 WeakPolarHBondContact O-CA 3.42Å; L714-T727 PolarHBondContact O-N 3.15Å; L714-T727 PolarHBondContact O-OG1 3.15Å
715	E	50.3	Low	47.4	Very low	101 Å²	101	92.4 Å²	92.4	47%	0.472	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.3	174.3	-49.8	173.4	169.7	0	0	111.3	M713 N724 I725	M713-E715 WeakPolarHBondContact CE-O 3.43Å; M713-E715 PolarHBondContact O-N 3.26Å; E715-N724 HydrophobicContact CB-CB 3.91Å; E715-N724 HydrophobicContact CG-CB 4.49Å; E715-N724 WeakPolarHBondContact OE2-CB 3.2Å; E715-N724 PolarHBondContact OE2-ND2 2.95Å; E715-I725 CarbonylContact C-O 3.59Å; E715-I725 WeakPolarHBondContact CA-O 3.11Å
716	V	58.8	Low	49.3	Very low	45 Å²	45	82.2 Å²	82.2	27%	0.273	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.9	175	168.6	0	0	0	0	108	M713 I725 T727	M713-V716 HydrophobicContact CB-CG2 4.42Å; M713-V716 HydrophobicContact CE-CG2 4.12Å; V716-I725 PolarHBondContact N-O 3.2Å; V716-I725 PolarHBondContact O-N 3.41Å; V716-T727 HydrophobicContact CG2-CG2 3.84Å
717	P	61.9	Low	50.9	Low	76 Å²	76	81.5 Å²	81.5	49%	0.494	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	139.4	176.8	26.4	-35.2	0	0	0	111.7
718	C	69.6	Low	52.7	Low	11 Å²	11	78.8 Å²	78.8	7%	0.074	43%	0.434	C	S	.	.			trans	-61.3	140.4	178	-178.2	0	0	0	0	112	L720 C721 S723 I725 H735	C718-L720 PolarHBondContact O-N 2.78Å; C718-L720 VanDerWaalsContact O-N 3.16Å; C718-L720 PolarHBondContact SG-N 3.34Å; C718-L720 VanDerWaalsContact SG-N 3.37Å; C718-C721 WeakPolarHBondContact CB-O 3.21Å; C718-C721 WeakPolarHBondContact CB-SG 3.34Å; C718-C721 VanDerWaalsContact O-O 3.06Å; C718-C721 VanDerWaalsContact SG-SG 3.65Å; C718-S723 VanDerWaalsContact CB-O 3.3Å; C718-S723 WeakPolarHBondContact CB-O 3.2Å; C718-S723 PolarHBondContact N-O 2.91Å; C718-I725 HydrophobicContact CB-CD1 3.55Å; C718-I725 HydrophobicContact CB-CG1 4.04Å; C718-H735 VanDerWaalsContact SG-CD2 3.57Å
719	E	69.2	Low	54.5	Low	23 Å²	23	77.7 Å²	77.7	11%	0.107	43%	0.426	C	S	.	.	S	Bend	trans	-62.9	-19.4	175	54.4	163.7	-112.8	0	0	113.7	V736 F760 W761 T762	E719-V736 HydrophobicContact CG-CG2 4.15Å; E719-F760 HydrophobicContact CB-CD1 3.98Å; E719-F760 HydrophobicContact CB-CE1 4.43Å; E719-F760 WeakPolarHBondContact OE2-CA 3.33Å; E719-F760 WeakPolarHBondContact OE2-CB 3.12Å; E719-W761 PolarHBondContact OE2-N 3.04Å; E719-T762 VanDerWaalsContact OE1-CB 3.26Å; E719-T762 WeakPolarHBondContact OE1-CB 3.02Å; E719-T762 WeakPolarHBondContact OE1-CG2 3.47Å; E719-T762 PolarHBondContact OE1-N 3.31Å; E719-T762 PolarHBondContact OE1-OG1 2.96Å
720	L	66.9	Low	56.5	Low	22 Å²	22	72.4 Å²	72.4	12%	0.115	41%	0.412	C	S	.	.	S	Bend	trans	-121.7	-5.4	-176.4	-63.8	-176.3	0	0	0	116.1	C718 V736 H740 V742 T762 A764 R768	C718-L720 PolarHBondContact O-N 2.78Å; C718-L720 VanDerWaalsContact O-N 3.16Å; C718-L720 PolarHBondContact SG-N 3.34Å; C718-L720 VanDerWaalsContact SG-N 3.37Å; L720-V736 HydrophobicContact CD1-CG1 4.07Å; L720-H740 VanDerWaalsContact C-CE1 3.4Å; L720-H740 VanDerWaalsContact CB-CE1 3.47Å; L720-H740 WeakPolarHBondContact CB-CE1 3.12Å; L720-H740 HydrophobicContact CD1-CB 3.81Å; L720-H740 PolarHBondContact O-CE1 3.25Å; L720-V742 HydrophobicContact CD1-CG2 4.34Å; L720-T762 HydrophobicContact CD1-CG2 4.22Å; L720-A764 HydrophobicContact CD2-CB 3.69Å; L720-R768 VanDerWaalsContact O-CZ 3.24Å; L720-R768 PolarHBondContact O-NH1 3.44Å; L720-R768 PolarHBondContact O-NH2 2.86Å
721	C	71.8	Confident	58.5	Low	15 Å²	15	69.5 Å²	69.5	10%	0.101	39%	0.391	C	S	.	.	S	Bend	trans	-147.2	163.3	170.9	63.6	0	0	0	0	112.6	C718 S723 H735 H740	C718-C721 WeakPolarHBondContact CB-O 3.21Å; C718-C721 WeakPolarHBondContact CB-SG 3.34Å; C718-C721 VanDerWaalsContact O-O 3.06Å; C718-C721 VanDerWaalsContact SG-SG 3.65Å; C721-S723 PolarHBondContact O-N 3.48Å; C721-S723 WeakPolarHBondContact SG-CB 3.22Å; C721-S723 PolarHBondContact SG-OG 2.85Å; C721-S723 VanDerWaalsContact SG-OG 3.39Å; C721-H735 PolarHBondContact SG-NE2 2.86Å; C721-H740 PolarHBondContact SG-NE2 2.82Å
722	P	61.7	Low	60.5	Low	129 Å²	129	64.8 Å²	64.8	84%	0.838	37%	0.366	S	S	*	.	S	Bend	trans	-72.1	13.5	173.6	31.1	-37.6	0	0	0	114.1
723	S	69.3	Low	62.2	Low	36 Å²	36	60.1 Å²	60.1	25%	0.252	34%	0.336	S	S	.	.			trans	-80.6	130.6	175.7	-53.6	0	0	0	0	110.4	C718 C721	C718-S723 VanDerWaalsContact CB-O 3.3Å; C718-S723 WeakPolarHBondContact CB-O 3.2Å; C718-S723 PolarHBondContact N-O 2.91Å; C721-S723 PolarHBondContact O-N 3.48Å; C721-S723 WeakPolarHBondContact SG-CB 3.22Å; C721-S723 PolarHBondContact SG-OG 2.85Å; C721-S723 VanDerWaalsContact SG-OG 3.39Å
724	N	66.7	Low	63.7	Low	94 Å²	94	62.1 Å²	62.1	50%	0.503	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	143.5	164.7	-76	-1.8	0	0	0	110.6	E715	E715-N724 HydrophobicContact CB-CB 3.91Å; E715-N724 HydrophobicContact CG-CB 4.49Å; E715-N724 WeakPolarHBondContact OE2-CB 3.2Å; E715-N724 PolarHBondContact OE2-ND2 2.95Å
725	I	64.4	Low	65.2	Low	6 Å²	6	57 Å²	57	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.7	176.8	-45.5	166.8	0	0	0	108.2	E715 V716 C718 I731 Q732 H735	E715-I725 CarbonylContact C-O 3.59Å; E715-I725 WeakPolarHBondContact CA-O 3.11Å; V716-I725 PolarHBondContact N-O 3.2Å; V716-I725 PolarHBondContact O-N 3.41Å; C718-I725 HydrophobicContact CB-CD1 3.55Å; C718-I725 HydrophobicContact CB-CG1 4.04Å; I725-I731 HydrophobicContact CG2-CB 4.44Å; I725-I731 HydrophobicContact CG2-CG2 3.71Å; I725-Q732 HydrophobicContact CB-CG 4.13Å; I725-Q732 HydrophobicContact CD1-CG 4.35Å; I725-Q732 HydrophobicContact CG2-CG 3.82Å; I725-H735 HydrophobicContact CD1-CB 3.84Å; I725-H735 HydrophobicContact CG1-CB 4.31Å; I725-H735 HydrophobicContact CG2-CB 4.27Å
726	P	63	Low	66.1	Low	49 Å²	49	52.2 Å²	52.2	32%	0.318	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-45.7	152.9	169.2	-32	36.8	0	0	0	114.5	L714 E728 I731 Q732	L714-P726 CarbonylContact O-C 3.57Å; L714-P726 VanDerWaalsContact O-CA 3.26Å; L714-P726 WeakPolarHBondContact O-CA 3.42Å; P726-E728 PolarHBondContact O-N 3.18Å; P726-E728 VanDerWaalsContact O-N 3.07Å; P726-I731 HydrophobicContact CB-CD1 4.17Å; P726-I731 HydrophobicContact CG-CD1 4.28Å; P726-I731 HydrophobicContact CG-CG2 4.32Å; P726-Q732 WeakPolarHBondContact O-CG 3.24Å; P726-Q732 PolarHBondContact O-NE2 3.2Å
727	T	56.2	Low	66.7	Low	78 Å²	78	53.9 Å²	53.9	48%	0.479	30%	0.298	S	S	.	.	S	Bend	trans	-65.8	-8.1	-179.3	2.8	0	0	0	0	115.1	M713 L714 V716 T729	M713-T727 WeakPolarHBondContact O-CG2 3.26Å; M713-T727 PolarHBondContact O-OG1 3.47Å; L714-T727 PolarHBondContact O-N 3.15Å; L714-T727 PolarHBondContact O-OG1 3.15Å; V716-T727 HydrophobicContact CG2-CG2 3.84Å; T727-T729 PolarHBondContact O-N 3.17Å
728	E	60.7	Low	67.2	Low	100 Å²	100	53.3 Å²	53.3	47%	0.467	30%	0.295	S	S	.	.			trans	-71.5	119.5	-178.5	-67.6	168.9	-153.6	0	0	111.4	P726 N730 I731 Q732	P726-E728 PolarHBondContact O-N 3.18Å; P726-E728 VanDerWaalsContact O-N 3.07Å; E728-N730 PolarHBondContact O-N 2.93Å; E728-I731 HydrophobicContact CB-CB 4.31Å; E728-I731 HydrophobicContact CB-CD1 4.18Å; E728-I731 HydrophobicContact CB-CG1 4.03Å; E728-I731 PolarHBondContact O-N 2.66Å; E728-I731 WeakPolarHBondContact OE2-CD1 3.16Å; E728-Q732 PolarHBondContact O-N 3.2Å
729	T	62.5	Low	67.5	Low	63 Å²	63	60.4 Å²	60.4	39%	0.387	32%	0.321	S	S	.	.	H	α-helix	trans	-59.1	-34	-175.1	50.9	0	0	0	0	113.2	T727 Q732 S733 W761	T727-T729 PolarHBondContact O-N 3.17Å; T729-Q732 PolarHBondContact O-N 3.33Å; T729-S733 WeakPolarHBondContact O-CB 3.49Å; T729-S733 PolarHBondContact O-N 3.33Å; T729-S733 PolarHBondContact O-OG 3.12Å; T729-W761 HydrophobicContact CG2-CH2 4.42Å
730	N	64.9	Low	67.7	Low	74 Å²	74	62.1 Å²	62.1	40%	0.396	33%	0.329	S	S	.	.	H	α-helix	trans	-65.4	-42.4	176.1	-69.6	-48.8	0	0	0	111.8	E728 S733 F734 H747	E728-N730 PolarHBondContact O-N 2.93Å; N730-S733 PolarHBondContact O-OG 3.17Å; N730-F734 VanDerWaalsContact O-CB 3.23Å; N730-F734 WeakPolarHBondContact O-CB 3.17Å; N730-F734 PolarHBondContact O-N 3.17Å; N730-H747 PolarHBondContact OD1-ND1 3.03Å; N730-H747 VanDerWaalsContact OD1-ND1 3.12Å
731	I	68	Low	68	Low	65 Å²	65	71.8 Å²	71.8	33%	0.333	36%	0.363	S	S	.	.	H	α-helix	trans	-67.7	-39.3	176.3	-57.4	-173.4	0	0	0	110	I725 P726 E728 F734 H735	I725-I731 HydrophobicContact CG2-CB 4.44Å; I725-I731 HydrophobicContact CG2-CG2 3.71Å; P726-I731 HydrophobicContact CB-CD1 4.17Å; P726-I731 HydrophobicContact CG-CD1 4.28Å; P726-I731 HydrophobicContact CG-CG2 4.32Å; E728-I731 HydrophobicContact CB-CB 4.31Å; E728-I731 HydrophobicContact CB-CD1 4.18Å; E728-I731 HydrophobicContact CB-CG1 4.03Å; E728-I731 PolarHBondContact O-N 2.66Å; E728-I731 WeakPolarHBondContact OE2-CD1 3.16Å; I731-F734 PolarHBondContact O-N 3.31Å; I731-H735 VanDerWaalsContact O-CB 3.24Å; I731-H735 WeakPolarHBondContact O-CB 3.42Å; I731-H735 PolarHBondContact O-N 3.29Å
732	Q	67.2	Low	67.7	Low	25 Å²	25	72.9 Å²	72.9	12%	0.117	37%	0.37	C	S	.	.	H	α-helix	trans	-62.9	-50.1	175	-67.6	178.2	7.9	0	0	112.2	I725 P726 E728 T729 F734 H735 V736 W761	I725-Q732 HydrophobicContact CB-CG 4.13Å; I725-Q732 HydrophobicContact CD1-CG 4.35Å; I725-Q732 HydrophobicContact CG2-CG 3.82Å; P726-Q732 WeakPolarHBondContact O-CG 3.24Å; P726-Q732 PolarHBondContact O-NE2 3.2Å; E728-Q732 PolarHBondContact O-N 3.2Å; T729-Q732 PolarHBondContact O-N 3.33Å; Q732-F734 VanDerWaalsContact C-N 3.35Å; Q732-F734 PolarHBondContact O-N 3.29Å; Q732-H735 PolarHBondContact O-N 2.82Å; Q732-V736 WeakPolarHBondContact O-CG2 3.48Å; Q732-V736 PolarHBondContact O-N 2.97Å; Q732-W761 HydrophobicContact CB-CH2 3.52Å; Q732-W761 HydrophobicContact CB-CZ2 4.22Å; Q732-W761 HydrophobicContact CB-CZ3 3.81Å; Q732-W761 HydrophobicContact CG-CH2 4.46Å; Q732-W761 VanDerWaalsContact OE1-CH2 3.29Å
733	S	66.6	Low	67.9	Low	9 Å²	9	76.2 Å²	76.2	6%	0.063	37%	0.371	C	S	.	.	H	α-helix	trans	-61.6	-42.5	176	60.4	0	0	0	0	111.9	T729 N730 H735 V736 M737	T729-S733 WeakPolarHBondContact O-CB 3.49Å; T729-S733 PolarHBondContact O-N 3.33Å; T729-S733 PolarHBondContact O-OG 3.12Å; N730-S733 PolarHBondContact O-OG 3.17Å; S733-H735 PolarHBondContact O-N 2.91Å; S733-V736 PolarHBondContact O-N 3.43Å; S733-M737 WeakPolarHBondContact O-CB 3.41Å; S733-M737 VanDerWaalsContact O-CG 3.22Å; S733-M737 WeakPolarHBondContact O-CG 3.49Å; S733-M737 PolarHBondContact O-N 3.36Å
734	F	71.4	Confident	67.5	Low	142 Å²	142	78 Å²	78	62%	0.623	40%	0.396	S	S	*	.	H	α-helix	trans	-64.7	-40.3	178	179.8	-96.7	0	0	0	112.1	N730 I731 Q732 M737 S738	N730-F734 VanDerWaalsContact O-CB 3.23Å; N730-F734 WeakPolarHBondContact O-CB 3.17Å; N730-F734 PolarHBondContact O-N 3.17Å; I731-F734 PolarHBondContact O-N 3.31Å; Q732-F734 VanDerWaalsContact C-N 3.35Å; Q732-F734 PolarHBondContact O-N 3.29Å; F734-M737 PolarHBondContact O-N 3.15Å; F734-S738 VanDerWaalsContact O-CB 3.3Å; F734-S738 WeakPolarHBondContact O-CB 3.42Å; F734-S738 PolarHBondContact O-N 3.4Å; F734-S738 PolarHBondContact O-OG 3.31Å
735	H	77.2	Confident	67.2	Low	33 Å²	33	75.3 Å²	75.3	15%	0.153	38%	0.381	C	S	.	.	H	α-helix	trans	-61.7	-46.2	174.9	-179	112.6	0	0	0	111.3	C718 C721 I725 I731 Q732 S733 S738 R739	C718-H735 VanDerWaalsContact SG-CD2 3.57Å; C721-H735 PolarHBondContact SG-NE2 2.86Å; I725-H735 HydrophobicContact CD1-CB 3.84Å; I725-H735 HydrophobicContact CG1-CB 4.31Å; I725-H735 HydrophobicContact CG2-CB 4.27Å; I731-H735 VanDerWaalsContact O-CB 3.24Å; I731-H735 WeakPolarHBondContact O-CB 3.42Å; I731-H735 PolarHBondContact O-N 3.29Å; Q732-H735 PolarHBondContact O-N 2.82Å; S733-H735 PolarHBondContact O-N 2.91Å; H735-S738 PolarHBondContact O-OG 3.46Å; H735-R739 VanDerWaalsContact CE1-CD 3.49Å; H735-R739 WeakPolarHBondContact CE1-CD 3.4Å; H735-R739 WeakPolarHBondContact NE2-CD 3.27Å; H735-R739 WeakPolarHBondContact O-CB 3.46Å; H735-R739 PolarHBondContact O-N 2.83Å
736	V	70.8	Confident	67	Low	2 Å²	2	84 Å²	84	1%	0.012	41%	0.413	C	S	.	.	H	α-helix	trans	-66.2	-41.6	178	-178.7	0	0	0	0	111	E719 L720 Q732 S733 H740 V742 L745 T762	E719-V736 HydrophobicContact CG-CG2 4.15Å; L720-V736 HydrophobicContact CD1-CG1 4.07Å; Q732-V736 WeakPolarHBondContact O-CG2 3.48Å; Q732-V736 PolarHBondContact O-N 2.97Å; S733-V736 PolarHBondContact O-N 3.43Å; V736-H740 WeakPolarHBondContact O-CB 3.14Å; V736-H740 PolarHBondContact O-N 3Å; V736-V742 HydrophobicContact CG1-CB 4.4Å; V736-V742 HydrophobicContact CG1-CG2 4.03Å; V736-L745 HydrophobicContact CB-CD1 3.87Å; V736-L745 HydrophobicContact CG1-CD1 3.52Å; V736-T762 HydrophobicContact CG1-CG2 4.06Å
737	M	71.2	Confident	66.9	Low	79 Å²	79	88 Å²	88	39%	0.389	43%	0.428	S	S	.	.	H	α-helix	trans	-62	-50.3	175.8	-71.4	175.4	64.6	0	0	112.5	S733 F734 R741 V742 L745	S733-M737 WeakPolarHBondContact O-CB 3.41Å; S733-M737 VanDerWaalsContact O-CG 3.22Å; S733-M737 WeakPolarHBondContact O-CG 3.49Å; S733-M737 PolarHBondContact O-N 3.36Å; F734-M737 PolarHBondContact O-N 3.15Å; M737-R741 CarbonylContact O-C 3.44Å; M737-R741 WeakPolarHBondContact O-CA 3.32Å; M737-R741 PolarHBondContact O-N 2.95Å; M737-R741 VanDerWaalsContact O-N 3.15Å; M737-V742 WeakPolarHBondContact CA-O 3.32Å; M737-V742 WeakPolarHBondContact CG-O 3.37Å; M737-V742 PolarHBondContact O-N 3.04Å; M737-L745 HydrophobicContact CG-CB 3.94Å; M737-L745 HydrophobicContact CG-CD1 3.95Å; M737-L745 HydrophobicContact CG-CG 4.15Å; M737-L745 HydrophobicContact SD-CB 4.22Å
738	S	72.5	Confident	66.9	Low	64 Å²	64	87.9 Å²	87.9	45%	0.448	42%	0.423	S	S	.	.	H	α-helix	trans	-77.1	-52.3	-174	58	0	0	0	0	112.9	F734 H735	F734-S738 VanDerWaalsContact O-CB 3.3Å; F734-S738 WeakPolarHBondContact O-CB 3.42Å; F734-S738 PolarHBondContact O-N 3.4Å; F734-S738 PolarHBondContact O-OG 3.31Å; H735-S738 PolarHBondContact O-OG 3.46Å
739	R	75.7	Confident	66.9	Low	161 Å²	161	84.1 Å²	84.1	61%	0.608	41%	0.407	S	S	*	.	H	α-helix	trans	-77.9	-26.5	-172.6	-161.8	174.2	-176	76.2	-0.8	113.3	H735	H735-R739 VanDerWaalsContact CE1-CD 3.49Å; H735-R739 WeakPolarHBondContact CE1-CD 3.4Å; H735-R739 WeakPolarHBondContact NE2-CD 3.27Å; H735-R739 WeakPolarHBondContact O-CB 3.46Å; H735-R739 PolarHBondContact O-N 2.83Å
740	H	72.3	Confident	66.8	Low	58 Å²	58	83.8 Å²	83.8	27%	0.269	41%	0.411	S	S	.	.	S	Bend	trans	-111	9.3	177.9	-62.4	-78.2	0	0	0	113.8	L720 C721 V736 V742	L720-H740 VanDerWaalsContact C-CE1 3.4Å; L720-H740 VanDerWaalsContact CB-CE1 3.47Å; L720-H740 WeakPolarHBondContact CB-CE1 3.12Å; L720-H740 HydrophobicContact CD1-CB 3.81Å; L720-H740 PolarHBondContact O-CE1 3.25Å; C721-H740 PolarHBondContact SG-NE2 2.82Å; V736-H740 WeakPolarHBondContact O-CB 3.14Å; V736-H740 PolarHBondContact O-N 3Å; H740-V742 HydrophobicContact CB-CG2 3.93Å; H740-V742 PolarHBondContact O-N 3.24Å; H740-V742 VanDerWaalsContact O-N 3.11Å
741	R	73	Confident	66.6	Low	225 Å²	225	83 Å²	83	85%	0.849	41%	0.407	S	S	*	.			trans	54.7	25	178	-60.4	-175.4	174.3	-169.9	-1.9	114.6	M737 K743	M737-R741 CarbonylContact O-C 3.44Å; M737-R741 WeakPolarHBondContact O-CA 3.32Å; M737-R741 PolarHBondContact O-N 2.95Å; M737-R741 VanDerWaalsContact O-N 3.15Å; R741-K743 PolarHBondContact O-N 3.05Å
742	V	66.2	Low	66	Low	38 Å²	38	81.3 Å²	81.3	23%	0.23	40%	0.4	C	S	.	.			trans	-79.8	107.2	-177.2	-170.2	0	0	0	0	110.2	L720 V736 M737 H740 L745 T762	L720-V742 HydrophobicContact CD1-CG2 4.34Å; V736-V742 HydrophobicContact CG1-CB 4.4Å; V736-V742 HydrophobicContact CG1-CG2 4.03Å; M737-V742 WeakPolarHBondContact CA-O 3.32Å; M737-V742 WeakPolarHBondContact CG-O 3.37Å; M737-V742 PolarHBondContact O-N 3.04Å; H740-V742 HydrophobicContact CB-CG2 3.93Å; H740-V742 PolarHBondContact O-N 3.24Å; H740-V742 VanDerWaalsContact O-N 3.11Å; V742-L745 HydrophobicContact CB-CD1 4.13Å; V742-L745 HydrophobicContact CB-CG 4.32Å; V742-L745 HydrophobicContact CG1-CD1 4Å; V742-L745 HydrophobicContact CG1-CD2 3.83Å; V742-L745 HydrophobicContact CG1-CG 3.77Å; V742-T762 HydrophobicContact CG1-CG2 4.09Å; V742-T762 HydrophobicContact CG2-CG2 4.28Å
743	K	66.1	Low	65.8	Low	199 Å²	199	80.1 Å²	80.1	87%	0.865	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	149.6	175.7	-63.5	-176.8	179.9	-179.8	0	111.3	R741	R741-K743 PolarHBondContact O-N 3.05Å
744	G	60.6	Low	65.4	Low	75 Å²	75	89.4 Å²	89.4	77%	0.773	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	20.2	167	0	0	0	0	0	117.4
745	L	60.7	Low	64.8	Low	37 Å²	37	84.1 Å²	84.1	19%	0.194	41%	0.406	C	S	.	.			trans	-69	148	176.1	-69.6	-176	0	0	0	113	V736 M737 V742 W761 T762	V736-L745 HydrophobicContact CB-CD1 3.87Å; V736-L745 HydrophobicContact CG1-CD1 3.52Å; M737-L745 HydrophobicContact CG-CB 3.94Å; M737-L745 HydrophobicContact CG-CD1 3.95Å; M737-L745 HydrophobicContact CG-CG 4.15Å; M737-L745 HydrophobicContact SD-CB 4.22Å; V742-L745 HydrophobicContact CB-CD1 4.13Å; V742-L745 HydrophobicContact CB-CG 4.32Å; V742-L745 HydrophobicContact CG1-CD1 4Å; V742-L745 HydrophobicContact CG1-CD2 3.83Å; V742-L745 HydrophobicContact CG1-CG 3.77Å; L745-W761 HydrophobicContact CD1-CB 4.07Å; L745-W761 HydrophobicContact CD1-CG 4.36Å; L745-W761 HydrophobicContact CD2-CB 4.12Å; L745-T762 HydrophobicContact CD2-CG2 4.26Å
746	R	60.9	Low	63.8	Low	188 Å²	188	82.6 Å²	82.6	71%	0.709	40%	0.399	S	S	*	.			trans	-84.5	152	172.7	-63	-178.3	178.3	-169.5	-1.3	110.5	I748 W761	R746-I748 PolarHBondContact O-N 3.45Å; R746-I748 VanDerWaalsContact O-N 3.1Å; R746-W761 VanDerWaalsContact O-CD1 3.26Å; R746-W761 PolarHBondContact O-NE1 2.89Å
747	H	61.1	Low	63.1	Low	134 Å²	134	82.5 Å²	82.5	62%	0.62	40%	0.398	S	S	*	.	S	Bend	trans	-59.6	-19	174.2	-68.6	-86.3	0	0	0	114.6	N730	N730-H747 PolarHBondContact OD1-ND1 3.03Å; N730-H747 VanDerWaalsContact OD1-ND1 3.12Å
748	I	55.3	Low	62.7	Low	75 Å²	75	81.2 Å²	81.2	39%	0.385	39%	0.391	S	S	.	.	S	Bend	trans	-121.1	131.1	-178.9	-57.1	177.4	0	0	0	107.6	R746	R746-I748 PolarHBondContact O-N 3.45Å; R746-I748 VanDerWaalsContact O-N 3.1Å
749	P	60.9	Low	62.1	Low	20 Å²	20	79.2 Å²	79.2	13%	0.13	38%	0.376	C	S	.	.			trans	-64.3	136.7	175.6	28	-33.3	0	0	0	109.6	L759 F760 W761	P749-L759 HydrophobicContact CB-CB 3.91Å; P749-L759 HydrophobicContact CG-CB 3.9Å; P749-L759 WeakPolarHBondContact O-CD1 3.47Å; P749-F760 CarbonylContact C-O 3.56Å; P749-F760 VanDerWaalsContact CB-C 3.48Å; P749-F760 WeakPolarHBondContact CB-O 3.46Å; P749-W761 HydrophobicContact CB-CD2 3.77Å; P749-W761 HydrophobicContact CB-CE3 3.89Å; P749-W761 HydrophobicContact CB-CG 4.22Å; P749-W761 HydrophobicContact CB-CH2 4.41Å; P749-W761 HydrophobicContact CB-CZ2 4.32Å; P749-W761 HydrophobicContact CB-CZ3 4.2Å; P749-W761 HydrophobicContact CG-CD2 4.49Å; P749-W761 HydrophobicContact CG-CE3 4.45Å; P749-W761 HydrophobicContact CG-CH2 4.13Å; P749-W761 HydrophobicContact CG-CZ2 4.18Å; P749-W761 HydrophobicContact CG-CZ3 4.27Å
750	A	59.5	Low	61.8	Low	57 Å²	57	72.6 Å²	72.6	47%	0.471	35%	0.351	S	S	.	.			trans	-127.8	-2.1	-166.2	0	0	0	0	0	114.2	P752 F760	A750-P752 VanDerWaalsContact O-CD 3.31Å; A750-P752 WeakPolarHBondContact O-CD 3.39Å; A750-F760 PolarHBondContact N-O 3.2Å
751	I	61.8	Low	61.5	Low	58 Å²	58	71.1 Å²	71.1	30%	0.297	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	99.3	-174.6	-46.7	-177.7	0	0	0	109	F760 W761 K763 V766	I751-F760 PolarHBondContact N-O 2.79Å; I751-F760 PolarHBondContact O-N 3.26Å; I751-W761 WeakPolarHBondContact CD1-O 3.36Å; I751-K763 HydrophobicContact CD1-CG 4.07Å; I751-V766 HydrophobicContact CB-CG2 4.2Å; I751-V766 HydrophobicContact CG2-CG2 3.72Å
752	P	56	Low	61.3	Low	29 Å²	29	61.1 Å²	61.1	19%	0.188	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	136.8	180	25.2	-30	0	0	0	112.4	A750 R754 Q758 L759 T909	A750-P752 VanDerWaalsContact O-CD 3.31Å; A750-P752 WeakPolarHBondContact O-CD 3.39Å; P752-R754 PolarHBondContact O-N 3.12Å; P752-Q758 WeakPolarHBondContact CA-O 3.38Å; P752-L759 HydrophobicContact CB-CD2 3.77Å; P752-L759 HydrophobicContact CG-CD2 4.27Å; P752-T909 HydrophobicContact CG-CG2 3.75Å
753	C	61.4	Low	61.4	Low	0 Å²	0	67 Å²	67	0%	0	33%	0.329	C	S	.	.			trans	-62.8	123.9	158.5	174.9	0	0	0	0	109.5	L755 C756 G757 Q758 F760 V766 H769	C753-L755 PolarHBondContact O-N 2.94Å; C753-C756 VanDerWaalsContact SG-SG 3.63Å; C753-G757 PolarHBondContact O-N 3.31Å; C753-Q758 PolarHBondContact N-O 3.32Å; C753-F760 HydrophobicContact CB-CD2 4.47Å; C753-F760 HydrophobicContact CB-CE2 3.96Å; C753-V766 HydrophobicContact CB-CG1 4.44Å; C753-H769 PolarHBondContact SG-CD2 2.79Å; C753-H769 PolarHBondContact SG-NE2 3.29Å; C753-H769 VanDerWaalsContact SG-NE2 3.44Å
754	R	58.6	Low	61.5	Low	204 Å²	204	60 Å²	60	77%	0.77	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-9.2	-177.9	-64.8	-177	178	-177	-0	114.6	P752	P752-R754 PolarHBondContact O-N 3.12Å
755	L	59	Low	61.7	Low	30 Å²	30	56.4 Å²	56.4	16%	0.157	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-48	-171.5	-54.2	169	0	0	0	111.3	C753 Q770 A781 C783 T786 I912 H916	C753-L755 PolarHBondContact O-N 2.94Å; L755-Q770 HydrophobicContact CD1-CG 4.11Å; L755-A781 WeakPolarHBondContact CD1-O 3.31Å; L755-C783 HydrophobicContact CD1-CB 4.2Å; L755-T786 HydrophobicContact CB-CG2 3.8Å; L755-I912 HydrophobicContact CD2-CD1 4.41Å; L755-H916 PolarHBondContact O-ND1 2.99Å
756	C	57	Low	61.9	Low	2 Å²	2	55.3 Å²	55.3	1%	0.014	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-9.8	-172.2	67.9	0	0	0	0	115.1	C753 Q758 H769 S785 T786 H916	C753-C756 VanDerWaalsContact SG-SG 3.63Å; C756-Q758 VanDerWaalsContact C-N 3.32Å; C756-Q758 PolarHBondContact O-N 3.38Å; C756-H769 PolarHBondContact SG-NE2 3.47Å; C756-S785 WeakPolarHBondContact CB-OG 3.23Å; C756-T786 HydrophobicContact CB-CG2 4.47Å; C756-H916 PolarHBondContact O-CD2 3.32Å; C756-H916 VanDerWaalsContact O-CD2 3.29Å
757	G	56	Low	62.1	Low	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.26	C	S	.	.			trans	83.2	-9.8	-179.8	0	0	0	0	0	116.8	C753 L759	C753-G757 PolarHBondContact O-N 3.31Å; G757-L759 PolarHBondContact O-N 3.03Å
758	Q	62.3	Low	62.3	Low	51 Å²	51	51.2 Å²	51.2	24%	0.238	25%	0.253	C	S	.	.			trans	-56.8	132.8	177	-70.4	-177.7	-10.8	0	0	111.4	P752 C753 C756 F760 H769	P752-Q758 WeakPolarHBondContact CA-O 3.38Å; C753-Q758 PolarHBondContact N-O 3.32Å; C756-Q758 VanDerWaalsContact C-N 3.32Å; C756-Q758 PolarHBondContact O-N 3.38Å; Q758-F760 HydrophobicContact CB-CE2 3.8Å; Q758-F760 HydrophobicContact CB-CZ 4.21Å; Q758-F760 WeakPolarHBondContact O-CD2 3.4Å; Q758-F760 WeakPolarHBondContact O-CE2 3.44Å; Q758-H769 PolarHBondContact OE1-CE1 2.94Å
759	L	60.4	Low	62.9	Low	23 Å²	23	49.1 Å²	49.1	12%	0.12	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	138.4	178.9	-64.7	174.7	0	0	0	112.3	P749 P752 G757 Q923 A924	P749-L759 HydrophobicContact CB-CB 3.91Å; P749-L759 HydrophobicContact CG-CB 3.9Å; P749-L759 WeakPolarHBondContact O-CD1 3.47Å; P752-L759 HydrophobicContact CB-CD2 3.77Å; P752-L759 HydrophobicContact CG-CD2 4.27Å; G757-L759 PolarHBondContact O-N 3.03Å; L759-Q923 VanDerWaalsContact CD1-C 3.49Å; L759-Q923 HydrophobicContact CD1-CB 3.73Å; L759-Q923 WeakPolarHBondContact CD1-O 3.49Å; L759-Q923 HydrophobicContact CG-CB 4.23Å; L759-A924 HydrophobicContact CD1-CB 4.05Å
760	F	68.5	Low	63.2	Low	22 Å²	22	50.3 Å²	50.3	10%	0.096	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	159.4	177.6	-64.6	-91.1	0	0	0	111.1	E719 P749 A750 I751 C753 Q758 V766 H769	E719-F760 HydrophobicContact CB-CD1 3.98Å; E719-F760 HydrophobicContact CB-CE1 4.43Å; E719-F760 WeakPolarHBondContact OE2-CA 3.33Å; E719-F760 WeakPolarHBondContact OE2-CB 3.12Å; P749-F760 CarbonylContact C-O 3.56Å; P749-F760 VanDerWaalsContact CB-C 3.48Å; P749-F760 WeakPolarHBondContact CB-O 3.46Å; A750-F760 PolarHBondContact N-O 3.2Å; I751-F760 PolarHBondContact N-O 2.79Å; I751-F760 PolarHBondContact O-N 3.26Å; C753-F760 HydrophobicContact CB-CD2 4.47Å; C753-F760 HydrophobicContact CB-CE2 3.96Å; Q758-F760 HydrophobicContact CB-CE2 3.8Å; Q758-F760 HydrophobicContact CB-CZ 4.21Å; Q758-F760 WeakPolarHBondContact O-CD2 3.4Å; Q758-F760 WeakPolarHBondContact O-CE2 3.44Å; F760-V766 HydrophobicContact CB-CG2 3.68Å; F760-V766 HydrophobicContact CD2-CG2 3.73Å; F760-V766 HydrophobicContact CG-CG2 3.84Å; F760-H769 HydrophobicContact CE1-CB 3.91Å; F760-H769 HydrophobicContact CE2-CB 4.24Å; F760-H769 AromaticContact CE2-CD2 3.88Å; F760-H769 AromaticContact CE2-CG 3.92Å; F760-H769 HydrophobicContact CZ-CB 3.58Å; F760-H769 AromaticContact CZ-CD2 3.81Å; F760-H769 AromaticContact CZ-CG 3.37Å; F760-H769 AromaticContact CZ-ND1 3.56Å
761	W	67.2	Low	63.5	Low	27 Å²	27	55 Å²	55	10%	0.102	26%	0.257	C	S	.	.	S	Bend	trans	-82.3	-40.2	173	-81.4	-85.9	0	0	0	112.1	E719 T729 Q732 L745 R746 P749 I751	E719-W761 PolarHBondContact OE2-N 3.04Å; T729-W761 HydrophobicContact CG2-CH2 4.42Å; Q732-W761 HydrophobicContact CB-CH2 3.52Å; Q732-W761 HydrophobicContact CB-CZ2 4.22Å; Q732-W761 HydrophobicContact CB-CZ3 3.81Å; Q732-W761 HydrophobicContact CG-CH2 4.46Å; Q732-W761 VanDerWaalsContact OE1-CH2 3.29Å; L745-W761 HydrophobicContact CD1-CB 4.07Å; L745-W761 HydrophobicContact CD1-CG 4.36Å; L745-W761 HydrophobicContact CD2-CB 4.12Å; R746-W761 VanDerWaalsContact O-CD1 3.26Å; R746-W761 PolarHBondContact O-NE1 2.89Å; P749-W761 HydrophobicContact CB-CD2 3.77Å; P749-W761 HydrophobicContact CB-CE3 3.89Å; P749-W761 HydrophobicContact CB-CG 4.22Å; P749-W761 HydrophobicContact CB-CH2 4.41Å; P749-W761 HydrophobicContact CB-CZ2 4.32Å; P749-W761 HydrophobicContact CB-CZ3 4.2Å; P749-W761 HydrophobicContact CG-CD2 4.49Å; P749-W761 HydrophobicContact CG-CE3 4.45Å; P749-W761 HydrophobicContact CG-CH2 4.13Å; P749-W761 HydrophobicContact CG-CZ2 4.18Å; P749-W761 HydrophobicContact CG-CZ3 4.27Å; I751-W761 WeakPolarHBondContact CD1-O 3.36Å
762	T	69	Low	63.7	Low	15 Å²	15	52.9 Å²	52.9	9%	0.092	25%	0.247	C	C	.	.	S	Bend	trans	-117.2	151.1	-177.1	72.3	0	0	0	0	113.4	E719 L720 V736 V742 L745 A764 G765 V766	E719-T762 VanDerWaalsContact OE1-CB 3.26Å; E719-T762 WeakPolarHBondContact OE1-CB 3.02Å; E719-T762 WeakPolarHBondContact OE1-CG2 3.47Å; E719-T762 PolarHBondContact OE1-N 3.31Å; E719-T762 PolarHBondContact OE1-OG1 2.96Å; L720-T762 HydrophobicContact CD1-CG2 4.22Å; V736-T762 HydrophobicContact CG1-CG2 4.06Å; V742-T762 HydrophobicContact CG1-CG2 4.09Å; V742-T762 HydrophobicContact CG2-CG2 4.28Å; L745-T762 HydrophobicContact CD2-CG2 4.26Å; T762-A764 PolarHBondContact O-N 3.37Å; T762-G765 PolarHBondContact O-N 3.26Å; T762-G765 PolarHBondContact OG1-N 3.01Å; T762-V766 PolarHBondContact O-N 3.34Å
763	K	66.8	Low	63.9	Low	160 Å²	160	53.2 Å²	53.2	70%	0.696	26%	0.256	S	S	*	.	H	α-helix	trans	-60	-34.5	170.5	-67.4	-178.4	-179.1	174.7	0	111.5	I751 G765 V766 I767	I751-K763 HydrophobicContact CD1-CG 4.07Å; K763-G765 VanDerWaalsContact C-N 3.35Å; K763-V766 PolarHBondContact O-N 2.83Å; K763-I767 VanDerWaalsContact O-CG1 3.31Å; K763-I767 WeakPolarHBondContact O-CG1 3.37Å; K763-I767 PolarHBondContact O-N 2.97Å
764	A	68.1	Low	64	Low	52 Å²	52	53.5 Å²	53.5	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-65.9	-35.9	176.8	0	0	0	0	0	112.3	L720 T762 I767 R768	L720-A764 HydrophobicContact CD2-CB 3.69Å; T762-A764 PolarHBondContact O-N 3.37Å; A764-I767 PolarHBondContact O-N 2.98Å; A764-R768 WeakPolarHBondContact O-CB 3.41Å; A764-R768 PolarHBondContact O-N 3.32Å
765	G	65.2	Low	64.2	Low	1 Å²	1	47.8 Å²	47.8	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-46.6	169.9	0	0	0	0	0	112.6	T762 K763 R768 H769	T762-G765 PolarHBondContact O-N 3.26Å; T762-G765 PolarHBondContact OG1-N 3.01Å; K763-G765 VanDerWaalsContact C-N 3.35Å; G765-R768 PolarHBondContact O-N 3.07Å; G765-H769 WeakPolarHBondContact O-CB 3.24Å; G765-H769 PolarHBondContact O-N 2.85Å
766	V	64.1	Low	64.3	Low	13 Å²	13	50.4 Å²	50.4	8%	0.079	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-46.4	174.1	-175.9	0	0	0	0	111.5	I751 C753 F760 T762 K763 R768 H769 Q770	I751-V766 HydrophobicContact CB-CG2 4.2Å; I751-V766 HydrophobicContact CG2-CG2 3.72Å; C753-V766 HydrophobicContact CB-CG1 4.44Å; F760-V766 HydrophobicContact CB-CG2 3.68Å; F760-V766 HydrophobicContact CD2-CG2 3.73Å; F760-V766 HydrophobicContact CG-CG2 3.84Å; T762-V766 PolarHBondContact O-N 3.34Å; K763-V766 PolarHBondContact O-N 2.83Å; V766-R768 VanDerWaalsContact C-N 3.34Å; V766-R768 PolarHBondContact O-N 3.11Å; V766-H769 CarbonylContact O-C 3.46Å; V766-H769 PolarHBondContact O-N 2.77Å; V766-Q770 HydrophobicContact CG1-CG 4.32Å; V766-Q770 WeakPolarHBondContact O-CB 3.31Å; V766-Q770 WeakPolarHBondContact O-CG 3.11Å; V766-Q770 PolarHBondContact O-N 2.92Å
767	I	65.3	Low	64.8	Low	110 Å²	110	53.2 Å²	53.2	56%	0.564	28%	0.283	S	S	*	.	H	α-helix	trans	-61.3	-42.6	179.5	-69.1	163.1	0	0	0	110.8	K763 A764 Q770 H771	K763-I767 VanDerWaalsContact O-CG1 3.31Å; K763-I767 WeakPolarHBondContact O-CG1 3.37Å; K763-I767 PolarHBondContact O-N 2.97Å; A764-I767 PolarHBondContact O-N 2.98Å; I767-Q770 CarbonylContact O-C 3.24Å; I767-Q770 PolarHBondContact O-N 3.39Å; I767-Q770 VanDerWaalsContact O-N 3.16Å; I767-H771 PolarHBondContact O-N 3.13Å
768	R	66	Low	65	Low	126 Å²	126	55.1 Å²	55.1	48%	0.475	30%	0.303	S	S	.	.	H	α-helix	trans	-64.2	-42.6	175.3	-173.6	179	-61.4	-170.4	6.8	112.2	L720 A764 G765 V766 Q770 H771	L720-R768 VanDerWaalsContact O-CZ 3.24Å; L720-R768 PolarHBondContact O-NH1 3.44Å; L720-R768 PolarHBondContact O-NH2 2.86Å; A764-R768 WeakPolarHBondContact O-CB 3.41Å; A764-R768 PolarHBondContact O-N 3.32Å; G765-R768 PolarHBondContact O-N 3.07Å; V766-R768 VanDerWaalsContact C-N 3.34Å; V766-R768 PolarHBondContact O-N 3.11Å; R768-Q770 PolarHBondContact O-N 3.04Å; R768-H771 WeakPolarHBondContact O-CB 3.15Å; R768-H771 PolarHBondContact O-N 3.03Å; R768-H771 VanDerWaalsContact O-N 3.15Å
769	H	68.8	Low	65	Low	32 Å²	32	55.4 Å²	55.4	15%	0.148	31%	0.305	C	S	.	.	H	α-helix	trans	-64.4	-25.9	174.5	171.7	85	0	0	0	112.7	C753 C756 Q758 F760 G765 V766 C783	C753-H769 PolarHBondContact SG-CD2 2.79Å; C753-H769 PolarHBondContact SG-NE2 3.29Å; C753-H769 VanDerWaalsContact SG-NE2 3.44Å; C756-H769 PolarHBondContact SG-NE2 3.47Å; Q758-H769 PolarHBondContact OE1-CE1 2.94Å; F760-H769 HydrophobicContact CE1-CB 3.91Å; F760-H769 HydrophobicContact CE2-CB 4.24Å; F760-H769 AromaticContact CE2-CD2 3.88Å; F760-H769 AromaticContact CE2-CG 3.92Å; F760-H769 HydrophobicContact CZ-CB 3.58Å; F760-H769 AromaticContact CZ-CD2 3.81Å; F760-H769 AromaticContact CZ-CG 3.37Å; F760-H769 AromaticContact CZ-ND1 3.56Å; G765-H769 WeakPolarHBondContact O-CB 3.24Å; G765-H769 PolarHBondContact O-N 2.85Å; V766-H769 CarbonylContact O-C 3.46Å; V766-H769 PolarHBondContact O-N 2.77Å; H769-C783 WeakPolarHBondContact NE2-CB 3.45Å; H769-C783 PolarHBondContact NE2-SG 3.37Å; H769-C783 VanDerWaalsContact NE2-SG 3.45Å; H769-C783 WeakPolarHBondContact O-CA 3.44Å; H769-C783 WeakPolarHBondContact O-CB 3.38Å
770	Q	66.8	Low	65	Low	44 Å²	44	63 Å²	63	21%	0.206	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	7.9	174.5	-68.1	-174.8	-42.6	0	0	114.1	L755 V766 I767 R768 V772 L782	L755-Q770 HydrophobicContact CD1-CG 4.11Å; V766-Q770 HydrophobicContact CG1-CG 4.32Å; V766-Q770 WeakPolarHBondContact O-CB 3.31Å; V766-Q770 WeakPolarHBondContact O-CG 3.11Å; V766-Q770 PolarHBondContact O-N 2.92Å; I767-Q770 CarbonylContact O-C 3.24Å; I767-Q770 PolarHBondContact O-N 3.39Å; I767-Q770 VanDerWaalsContact O-N 3.16Å; R768-Q770 PolarHBondContact O-N 3.04Å; Q770-V772 PolarHBondContact O-N 2.98Å; Q770-V772 VanDerWaalsContact O-N 3.08Å; Q770-L782 CarbonylContact C-O 3.3Å; Q770-L782 VanDerWaalsContact CA-O 3.22Å; Q770-L782 WeakPolarHBondContact CA-O 3.3Å; Q770-L782 VanDerWaalsContact O-O 3.05Å
771	H	65.8	Low	64.8	Low	155 Å²	155	64.6 Å²	64.6	72%	0.718	35%	0.353	S	S	*	.	B	Isolated β-bridge	trans	-76.5	13.2	-179.3	-162.2	-72.1	0	0	0	112.9	I767 R768 G773	I767-H771 PolarHBondContact O-N 3.13Å; R768-H771 WeakPolarHBondContact O-CB 3.15Å; R768-H771 PolarHBondContact O-N 3.03Å; R768-H771 VanDerWaalsContact O-N 3.15Å; H771-G773 PolarHBondContact O-N 3.27Å
772	V	64.5	Low	64.5	Low	15 Å²	15	63.6 Å²	63.6	9%	0.091	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-86.3	113.3	176.5	-160.8	0	0	0	0	108.2	Q770 L782 N784 Y787	Q770-V772 PolarHBondContact O-N 2.98Å; Q770-V772 VanDerWaalsContact O-N 3.08Å; V772-L782 HydrophobicContact CB-CB 4.33Å; V772-L782 VanDerWaalsContact CB-O 3.26Å; V772-L782 WeakPolarHBondContact CB-O 3.35Å; V772-L782 PolarHBondContact N-O 2.71Å; V772-L782 VanDerWaalsContact O-CB 3.3Å; V772-L782 WeakPolarHBondContact O-CB 3.26Å; V772-L782 PolarHBondContact O-N 3.13Å; V772-N784 VanDerWaalsContact CG2-OD1 3.31Å; V772-N784 WeakPolarHBondContact CG2-OD1 3.14Å; V772-Y787 HydrophobicContact CB-CD2 4.44Å; V772-Y787 HydrophobicContact CG1-CD2 3.35Å; V772-Y787 HydrophobicContact CG1-CE2 3.94Å; V772-Y787 HydrophobicContact CG1-CG 4.04Å
773	G	61.3	Low	64.5	Low	36 Å²	36	62.9 Å²	62.9	37%	0.371	35%	0.346	S	S	.	.			trans	-89.8	141	171.2	0	0	0	0	0	111.3	H771 A775 E779 Y787	H771-G773 PolarHBondContact O-N 3.27Å; G773-A775 PolarHBondContact O-N 3.37Å; G773-E779 WeakPolarHBondContact CA-O 3.38Å; G773-Y787 WeakPolarHBondContact O-CE2 3Å
774	C	63.4	Low	64.3	Low	6 Å²	6	58.4 Å²	58.4	4%	0.041	33%	0.33	C	S	.	.			trans	-66.6	128.7	165.7	-174.9	0	0	0	0	110.4	F776 G778 E779 L782 H790 H795	C774-F776 PolarHBondContact O-N 3.46Å; C774-F776 PolarHBondContact SG-N 2.95Å; C774-F776 VanDerWaalsContact SG-N 3.42Å; C774-G778 WeakPolarHBondContact O-CA 3.41Å; C774-G778 PolarHBondContact O-N 3.22Å; C774-E779 HydrophobicContact CB-CB 4.37Å; C774-E779 PolarHBondContact N-O 3.03Å; C774-L782 HydrophobicContact CB-CD1 3.89Å; C774-H790 VanDerWaalsContact CB-NE2 3.33Å; C774-H790 WeakPolarHBondContact CB-NE2 3.28Å; C774-H790 PolarHBondContact SG-NE2 3.42Å; C774-H795 VanDerWaalsContact SG-CD2 3.52Å
775	A	62.5	Low	63.8	Low	83 Å²	83	56.3 Å²	56.3	69%	0.686	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.1	177.5	0	0	0	0	0	114.2	G773	G773-A775 PolarHBondContact O-N 3.37Å
776	F	61.5	Low	63.6	Low	86 Å²	86	56.3 Å²	56.3	38%	0.377	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-48.7	-170.9	-59	-86.1	0	0	0	113.4	C774 H795 D798	C774-F776 PolarHBondContact O-N 3.46Å; C774-F776 PolarHBondContact SG-N 2.95Å; C774-F776 VanDerWaalsContact SG-N 3.42Å; F776-H795 HydrophobicContact CB-CB 4.43Å; F776-H795 WeakPolarHBondContact CB-CE1 3.36Å; F776-H795 VanDerWaalsContact CB-ND1 3.27Å; F776-H795 WeakPolarHBondContact CB-ND1 3.06Å; F776-H795 HydrophobicContact CD2-CB 4.33Å; F776-H795 HydrophobicContact CG-CB 4.4Å; F776-D798 HydrophobicContact CD1-CB 3.91Å; F776-D798 HydrophobicContact CE1-CB 3.49Å; F776-D798 VanDerWaalsContact CE1-CB 3.49Å; F776-D798 HydrophobicContact CE2-CB 4.18Å; F776-D798 HydrophobicContact CG-CB 4.42Å; F776-D798 HydrophobicContact CZ-CB 3.66Å
777	C	67.1	Low	63.6	Low	60 Å²	60	55.9 Å²	55.9	41%	0.405	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-3	174	62.4	0	0	0	0	114.6	E779 H790 H795	C777-E779 PolarHBondContact O-N 3.37Å; C777-E779 VanDerWaalsContact SG-CB 3.59Å; C777-H790 PolarHBondContact SG-CE1 3.48Å; C777-H790 PolarHBondContact SG-NE2 3.27Å; C777-H795 VanDerWaalsContact CB-NE2 3.28Å; C777-H795 WeakPolarHBondContact CB-NE2 3.34Å; C777-H795 PolarHBondContact N-NE2 3.46Å; C777-H795 PolarHBondContact SG-NE2 2.58Å
778	G	59.8	Low	63.5	Low	41 Å²	41	50.8 Å²	50.8	42%	0.423	28%	0.282	S	S	.	.			trans	70.7	8.5	-179.3	0	0	0	0	0	115.3	C774 K780	C774-G778 WeakPolarHBondContact O-CA 3.41Å; C774-G778 PolarHBondContact O-N 3.22Å; G778-K780 WeakPolarHBondContact O-CG 3.21Å; G778-K780 PolarHBondContact O-N 2.8Å
779	E	62.3	Low	63.3	Low	57 Å²	57	45.7 Å²	45.7	27%	0.266	26%	0.264	S	S	.	.			trans	-62.2	107	-178.3	-170.8	171	120.6	0	0	111.1	G773 C774 C777 A781 H790 K794	G773-E779 WeakPolarHBondContact CA-O 3.38Å; C774-E779 HydrophobicContact CB-CB 4.37Å; C774-E779 PolarHBondContact N-O 3.03Å; C777-E779 PolarHBondContact O-N 3.37Å; C777-E779 VanDerWaalsContact SG-CB 3.59Å; E779-A781 VanDerWaalsContact C-N 3.3Å; E779-A781 PolarHBondContact O-N 3.36Å; E779-H790 IonicContact OE1-CE1 3.6Å; E779-H790 PolarHBondContact OE1-CE1 3.29Å; E779-H790 IonicContact OE1-ND1 3.83Å; E779-H790 PolarHBondContact OE1-ND1 3.13Å; E779-H790 VanDerWaalsContact OE1-ND1 3.12Å; E779-H790 IonicContact OE2-CE1 2.67Å; E779-H790 PolarHBondContact OE2-CE1 2.6Å; E779-H790 IonicContact OE2-ND1 3.27Å; E779-K794 IonicContact OE2-NZ 2.75Å; E779-K794 PolarHBondContact OE2-NZ 3.08Å
780	K	61.7	Low	63.1	Low	183 Å²	183	44.8 Å²	44.8	80%	0.796	26%	0.26	S	S	*	.			trans	-87.5	21.5	-169.1	-51.6	-168.2	-178.8	179.3	0	115	G778	G778-K780 WeakPolarHBondContact O-CG 3.21Å; G778-K780 PolarHBondContact O-N 2.8Å
781	A	63.1	Low	62.9	Low	54 Å²	54	42.7 Å²	42.7	45%	0.446	25%	0.25	S	S	.	.			trans	-130.3	43	-170.9	0	0	0	0	0	112	L755 E779	L755-A781 WeakPolarHBondContact CD1-O 3.31Å; E779-A781 VanDerWaalsContact C-N 3.3Å; E779-A781 PolarHBondContact O-N 3.36Å
782	L	62	Low	62.6	Low	7 Å²	7	36 Å²	36	4%	0.037	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-115	157.3	178.6	-52.1	171.8	0	0	0	110.5	Q770 V772 C774 Y787 H790	Q770-L782 CarbonylContact C-O 3.3Å; Q770-L782 VanDerWaalsContact CA-O 3.22Å; Q770-L782 WeakPolarHBondContact CA-O 3.3Å; Q770-L782 VanDerWaalsContact O-O 3.05Å; V772-L782 HydrophobicContact CB-CB 4.33Å; V772-L782 VanDerWaalsContact CB-O 3.26Å; V772-L782 WeakPolarHBondContact CB-O 3.35Å; V772-L782 PolarHBondContact N-O 2.71Å; V772-L782 VanDerWaalsContact O-CB 3.3Å; V772-L782 WeakPolarHBondContact O-CB 3.26Å; V772-L782 PolarHBondContact O-N 3.13Å; C774-L782 HydrophobicContact CB-CD1 3.89Å; L782-Y787 HydrophobicContact CD1-CD2 4.27Å; L782-H790 HydrophobicContact CD1-CB 3.9Å; L782-H790 VanDerWaalsContact CD1-CG 3.45Å; L782-H790 HydrophobicContact CD2-CB 3.72Å; L782-H790 HydrophobicContact CG-CB 4.46Å
783	C	67.3	Low	62	Low	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.233	C	C	.	.			trans	-121.7	162.3	171.5	69.5	0	0	0	0	111.3	L755 H769 S785 T786 Y787	L755-C783 HydrophobicContact CD1-CB 4.2Å; H769-C783 WeakPolarHBondContact NE2-CB 3.45Å; H769-C783 PolarHBondContact NE2-SG 3.37Å; H769-C783 VanDerWaalsContact NE2-SG 3.45Å; H769-C783 WeakPolarHBondContact O-CA 3.44Å; H769-C783 WeakPolarHBondContact O-CB 3.38Å; C783-S785 PolarHBondContact O-N 3.33Å; C783-T786 PolarHBondContact N-OG1 2.88Å; C783-T786 CarbonylContact O-C 3.57Å; C783-T786 PolarHBondContact O-N 3.48Å; C783-T786 PolarHBondContact O-OG1 3.49Å; C783-T786 PolarHBondContact SG-OG1 3.06Å; C783-Y787 PolarHBondContact O-N 3Å
784	N	63.3	Low	61.9	Low	66 Å²	66	42.2 Å²	42.2	35%	0.353	24%	0.238	S	C	.	.	H	α-helix	trans	-49.7	-36.6	-172.8	-75.3	-13.7	0	0	0	114.5	V772	V772-N784 VanDerWaalsContact CG2-OD1 3.31Å; V772-N784 WeakPolarHBondContact CG2-OD1 3.14Å
785	S	57.3	Low	62.1	Low	7 Å²	7	43.2 Å²	43.2	5%	0.049	24%	0.242	C	C	.	.	H	α-helix	trans	-83.4	-14.6	179.3	48.7	0	0	0	0	115.3	C756 C783 H831	C756-S785 WeakPolarHBondContact CB-OG 3.23Å; C783-S785 PolarHBondContact O-N 3.33Å; S785-H831 WeakPolarHBondContact CA-O 3.48Å; S785-H831 WeakPolarHBondContact CB-O 3.46Å
786	T	61.7	Low	61.6	Low	2 Å²	2	40.4 Å²	40.4	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-109.7	-10.9	174.9	57.5	0	0	0	0	113.9	L755 C756 C783 Y788 L789 H790 I912	L755-T786 HydrophobicContact CB-CG2 3.8Å; C756-T786 HydrophobicContact CB-CG2 4.47Å; C783-T786 PolarHBondContact N-OG1 2.88Å; C783-T786 CarbonylContact O-C 3.57Å; C783-T786 PolarHBondContact O-N 3.48Å; C783-T786 PolarHBondContact O-OG1 3.49Å; C783-T786 PolarHBondContact SG-OG1 3.06Å; T786-Y788 PolarHBondContact O-N 3.18Å; T786-L789 WeakPolarHBondContact O-CB 3.4Å; T786-L789 PolarHBondContact O-N 3.16Å; T786-H790 WeakPolarHBondContact O-CB 3.4Å; T786-H790 PolarHBondContact O-N 3.38Å; T786-I912 HydrophobicContact CG2-CD1 4.21Å
787	Y	64.7	Low	61.3	Low	4 Å²	4	41.6 Å²	41.6	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-52.2	-55.1	176.4	-179.8	-93.9	0	0	0	112.4	V772 G773 L782 C783 L789 H790 E791 P811 Q812	V772-Y787 HydrophobicContact CB-CD2 4.44Å; V772-Y787 HydrophobicContact CG1-CD2 3.35Å; V772-Y787 HydrophobicContact CG1-CE2 3.94Å; V772-Y787 HydrophobicContact CG1-CG 4.04Å; G773-Y787 WeakPolarHBondContact O-CE2 3Å; L782-Y787 HydrophobicContact CD1-CD2 4.27Å; C783-Y787 PolarHBondContact O-N 3Å; Y787-L789 VanDerWaalsContact C-N 3.32Å; Y787-L789 PolarHBondContact O-N 3.37Å; Y787-H790 PolarHBondContact O-N 3.31Å; Y787-E791 HydrophobicContact CD1-CG 4.37Å; Y787-E791 HydrophobicContact CE1-CG 3.87Å; Y787-E791 WeakPolarHBondContact CE1-OE1 3.44Å; Y787-E791 PolarHBondContact O-N 3.37Å; Y787-E791 PolarHBondContact OH-OE1 3.06Å; Y787-P811 HydrophobicContact CE1-CG 3.83Å; Y787-Q812 HydrophobicContact CD1-CG 4.11Å; Y787-Q812 HydrophobicContact CE1-CG 4.44Å; Y787-Q812 HydrophobicContact CG-CG 4.38Å
788	Y	63.2	Low	61.2	Low	2 Å²	2	41.4 Å²	41.4	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-31.9	179.7	-63.5	-73.6	0	0	0	113	T786 E791 I792 F799 C810 P811 L827 H831 F833	T786-Y788 PolarHBondContact O-N 3.18Å; Y788-E791 PolarHBondContact O-N 2.85Å; Y788-I792 WeakPolarHBondContact O-CD1 3.42Å; Y788-I792 VanDerWaalsContact O-CG1 3.29Å; Y788-I792 WeakPolarHBondContact O-CG1 3.39Å; Y788-I792 PolarHBondContact O-N 2.9Å; Y788-F799 HydrophobicContact CD1-CE2 4.14Å; Y788-C810 PolarHBondContact OH-SG 2.77Å; Y788-P811 HydrophobicContact CE1-CG 4.17Å; Y788-L827 HydrophobicContact CD1-CD2 4.15Å; Y788-L827 HydrophobicContact CD2-CD2 3.84Å; Y788-L827 HydrophobicContact CE1-CD2 3.78Å; Y788-L827 HydrophobicContact CE2-CD2 3.45Å; Y788-L827 VanDerWaalsContact CE2-CD2 3.45Å; Y788-L827 HydrophobicContact CG-CD2 4.17Å; Y788-H831 HydrophobicContact CD2-CB 4.4Å; Y788-H831 HydrophobicContact CE2-CB 4.04Å; Y788-H831 AromaticContact CE2-CD2 4Å; Y788-H831 AromaticContact CE2-CG 3.8Å; Y788-F833 HydrophobicContact CD2-CB 4.33Å; Y788-F833 HydrophobicContact CD2-CD1 4.32Å; Y788-F833 HydrophobicContact CD2-CG 4.33Å; Y788-F833 HydrophobicContact CG-CD1 4.12Å; Y788-F833 HydrophobicContact CG-CE1 4.49Å; Y788-F833 HydrophobicContact CG-CG 4.44Å
789	L	61.5	Low	61.4	Low	19 Å²	19	40 Å²	40	10%	0.099	20%	0.201	C	C	.	.	H	α-helix	trans	-66.3	-44.9	174.2	-172.3	61	0	0	0	110.9	T786 Y787 I792 I793 F833 Y872 I912 T913	T786-L789 WeakPolarHBondContact O-CB 3.4Å; T786-L789 PolarHBondContact O-N 3.16Å; Y787-L789 VanDerWaalsContact C-N 3.32Å; Y787-L789 PolarHBondContact O-N 3.37Å; L789-I792 PolarHBondContact O-N 3.27Å; L789-I793 HydrophobicContact CD1-CD1 4.39Å; L789-I793 HydrophobicContact CG-CD1 4.01Å; L789-I793 WeakPolarHBondContact O-CD1 3.25Å; L789-I793 VanDerWaalsContact O-CG1 3.23Å; L789-I793 WeakPolarHBondContact O-CG1 3.24Å; L789-I793 PolarHBondContact O-N 3.41Å; L789-F833 HydrophobicContact CB-CE2 3.94Å; L789-F833 HydrophobicContact CD1-CE2 4.41Å; L789-Y872 HydrophobicContact CD1-CE2 4.17Å; L789-I912 HydrophobicContact CD2-CG2 3.78Å; L789-T913 HydrophobicContact CD2-CG2 4.23Å
790	H	63.7	Low	61.1	Low	14 Å²	14	39.4 Å²	39.4	7%	0.065	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-43.3	173.4	165.1	108.9	0	0	0	111.4	C774 C777 E779 L782 T786 Y787 I792 I793 K794 H795	C774-H790 VanDerWaalsContact CB-NE2 3.33Å; C774-H790 WeakPolarHBondContact CB-NE2 3.28Å; C774-H790 PolarHBondContact SG-NE2 3.42Å; C777-H790 PolarHBondContact SG-CE1 3.48Å; C777-H790 PolarHBondContact SG-NE2 3.27Å; E779-H790 IonicContact OE1-CE1 3.6Å; E779-H790 PolarHBondContact OE1-CE1 3.29Å; E779-H790 IonicContact OE1-ND1 3.83Å; E779-H790 PolarHBondContact OE1-ND1 3.13Å; E779-H790 VanDerWaalsContact OE1-ND1 3.12Å; E779-H790 IonicContact OE2-CE1 2.67Å; E779-H790 PolarHBondContact OE2-CE1 2.6Å; E779-H790 IonicContact OE2-ND1 3.27Å; L782-H790 HydrophobicContact CD1-CB 3.9Å; L782-H790 VanDerWaalsContact CD1-CG 3.45Å; L782-H790 HydrophobicContact CD2-CB 3.72Å; L782-H790 HydrophobicContact CG-CB 4.46Å; T786-H790 WeakPolarHBondContact O-CB 3.4Å; T786-H790 PolarHBondContact O-N 3.38Å; Y787-H790 PolarHBondContact O-N 3.31Å; H790-I792 VanDerWaalsContact C-N 3.32Å; H790-I792 PolarHBondContact O-N 3.33Å; H790-I793 PolarHBondContact O-N 3.18Å; H790-I793 VanDerWaalsContact O-N 3.11Å; H790-K794 PolarHBondContact O-N 3.15Å; H790-H795 AromaticContact NE2-CD2 3.88Å
791	E	62.5	Low	60.9	Low	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.1	-39.7	176	-73.7	-166.1	152.4	0	0	112.1	Y787 Y788 I793 H795 F799 R802	Y787-E791 HydrophobicContact CD1-CG 4.37Å; Y787-E791 HydrophobicContact CE1-CG 3.87Å; Y787-E791 WeakPolarHBondContact CE1-OE1 3.44Å; Y787-E791 PolarHBondContact O-N 3.37Å; Y787-E791 PolarHBondContact OH-OE1 3.06Å; Y788-E791 PolarHBondContact O-N 2.85Å; E791-I793 VanDerWaalsContact C-N 3.3Å; E791-I793 PolarHBondContact O-N 3.45Å; E791-H795 CarbonylContact O-C 3.35Å; E791-H795 WeakPolarHBondContact O-CA 3.34Å; E791-H795 PolarHBondContact O-N 3.39Å; E791-F799 HydrophobicContact CB-CD2 4.35Å; E791-R802 VanDerWaalsContact CD-NH1 3.26Å; E791-R802 IonicContact OE1-CZ 3.96Å; E791-R802 IonicContact OE1-NH1 3.91Å; E791-R802 PolarHBondContact OE1-NH1 3.19Å; E791-R802 IonicContact OE1-NH2 2.66Å; E791-R802 PolarHBondContact OE1-NH2 2.89Å; E791-R802 IonicContact OE2-CZ 2.95Å; E791-R802 VanDerWaalsContact OE2-CZ 3.32Å; E791-R802 IonicContact OE2-NH1 3.43Å; E791-R802 PolarHBondContact OE2-NH1 3.03Å; E791-R802 IonicContact OE2-NH2 3.6Å; E791-R802 PolarHBondContact OE2-NH2 2.99Å
792	I	59.4	Low	60.8	Low	15 Å²	15	33.9 Å²	33.9	8%	0.077	18%	0.177	C	C	.	.	H	α-helix	trans	-65	-33.2	174.7	-71.5	160.4	0	0	0	111.9	Y788 L789 H790 P796 F799 F833 I839	Y788-I792 WeakPolarHBondContact O-CD1 3.42Å; Y788-I792 VanDerWaalsContact O-CG1 3.29Å; Y788-I792 WeakPolarHBondContact O-CG1 3.39Å; Y788-I792 PolarHBondContact O-N 2.9Å; L789-I792 PolarHBondContact O-N 3.27Å; H790-I792 VanDerWaalsContact C-N 3.32Å; H790-I792 PolarHBondContact O-N 3.33Å; I792-P796 WeakPolarHBondContact O-CB 3.31Å; I792-F799 HydrophobicContact CD1-CD1 4.34Å; I792-F799 HydrophobicContact CD1-CE1 3.72Å; I792-F799 HydrophobicContact CD1-CZ 3.9Å; I792-F799 HydrophobicContact CG1-CD1 3.54Å; I792-F799 HydrophobicContact CG1-CD2 4.47Å; I792-F799 HydrophobicContact CG1-CE1 3.44Å; I792-F799 VanDerWaalsContact CG1-CE1 3.44Å; I792-F799 HydrophobicContact CG1-CE2 4.41Å; I792-F799 HydrophobicContact CG1-CG 4.07Å; I792-F799 HydrophobicContact CG1-CZ 3.92Å; I792-F833 HydrophobicContact CD1-CE1 4.13Å; I792-F833 HydrophobicContact CD1-CZ 3.64Å; I792-I839 HydrophobicContact CD1-CD1 3.86Å; I792-I839 HydrophobicContact CG1-CD1 4.03Å; I792-I839 HydrophobicContact CG2-CD1 3.74Å
793	I	52.5	Low	60.6	Low	71 Å²	71	34.2 Å²	34.2	36%	0.364	18%	0.178	S	C	.	.	H	α-helix	trans	-80.2	-51.5	-178.5	-66.2	161.3	0	0	0	112.1	L789 H790 E791 Y872	L789-I793 HydrophobicContact CD1-CD1 4.39Å; L789-I793 HydrophobicContact CG-CD1 4.01Å; L789-I793 WeakPolarHBondContact O-CD1 3.25Å; L789-I793 VanDerWaalsContact O-CG1 3.23Å; L789-I793 WeakPolarHBondContact O-CG1 3.24Å; L789-I793 PolarHBondContact O-N 3.41Å; H790-I793 PolarHBondContact O-N 3.18Å; H790-I793 VanDerWaalsContact O-N 3.11Å; E791-I793 VanDerWaalsContact C-N 3.3Å; E791-I793 PolarHBondContact O-N 3.45Å; I793-Y872 HydrophobicContact CD1-CD2 4.11Å; I793-Y872 HydrophobicContact CD1-CE1 4.06Å; I793-Y872 HydrophobicContact CD1-CE2 3.55Å; I793-Y872 HydrophobicContact CG1-CD2 4.08Å; I793-Y872 HydrophobicContact CG1-CE1 4.49Å; I793-Y872 HydrophobicContact CG1-CE2 4.04Å; I793-Y872 HydrophobicContact CG1-CG 4.33Å
794	K	59.8	Low	59.8	Low	109 Å²	109	38.7 Å²	38.7	47%	0.474	20%	0.198	S	C	.	.	H	α-helix	trans	-97.8	-24.5	-173.6	-67.6	-159.6	-179.2	179.3	0	114.5	E779 H790	E779-K794 IonicContact OE2-NZ 2.75Å; E779-K794 PolarHBondContact OE2-NZ 3.08Å; H790-K794 PolarHBondContact O-N 3.15Å
795	H	67	Low	59.4	Low	28 Å²	28	43.4 Å²	43.4	13%	0.13	22%	0.215	C	C	.	.			trans	-129.6	43.5	-176.6	-59	-70.3	0	0	0	114.1	C774 F776 C777 H790 E791 Q797 D798 F799	C774-H795 VanDerWaalsContact SG-CD2 3.52Å; F776-H795 HydrophobicContact CB-CB 4.43Å; F776-H795 WeakPolarHBondContact CB-CE1 3.36Å; F776-H795 VanDerWaalsContact CB-ND1 3.27Å; F776-H795 WeakPolarHBondContact CB-ND1 3.06Å; F776-H795 HydrophobicContact CD2-CB 4.33Å; F776-H795 HydrophobicContact CG-CB 4.4Å; C777-H795 VanDerWaalsContact CB-NE2 3.28Å; C777-H795 WeakPolarHBondContact CB-NE2 3.34Å; C777-H795 PolarHBondContact N-NE2 3.46Å; C777-H795 PolarHBondContact SG-NE2 2.58Å; H790-H795 AromaticContact NE2-CD2 3.88Å; E791-H795 CarbonylContact O-C 3.35Å; E791-H795 WeakPolarHBondContact O-CA 3.34Å; E791-H795 PolarHBondContact O-N 3.39Å; H795-Q797 PolarHBondContact O-N 2.8Å; H795-D798 HydrophobicContact CB-CB 4.23Å; H795-D798 IonicContact ND1-OD2 3.93Å; H795-D798 PolarHBondContact O-N 3.42Å; H795-D798 VanDerWaalsContact O-N 3.11Å; H795-F799 PolarHBondContact O-N 3.24Å
796	P	51.2	Low	59.1	Low	23 Å²	23	45.5 Å²	45.5	15%	0.149	24%	0.238	C	C	.	.	H	α-helix	trans	-60.3	-30.9	-175	20.7	-31.3	0	0	0	113.4	I792 A800 L865 L868	I792-P796 WeakPolarHBondContact O-CB 3.31Å; P796-A800 VanDerWaalsContact O-CB 3.27Å; P796-A800 WeakPolarHBondContact O-CB 3.42Å; P796-A800 PolarHBondContact O-N 2.96Å; P796-L865 HydrophobicContact CB-CD1 4.48Å; P796-L865 HydrophobicContact CG-CD1 4.13Å; P796-L865 HydrophobicContact CG-CD2 3.77Å; P796-L865 HydrophobicContact CG-CG 4.16Å; P796-L868 HydrophobicContact CB-CD1 4.35Å
797	Q	56.4	Low	58.8	Low	111 Å²	111	47.3 Å²	47.3	52%	0.519	25%	0.253	S	S	.	.	H	α-helix	trans	-67.2	-45	176.6	-62	178.8	12.9	0	0	111.1	H795 A800 S801 M861 L865	H795-Q797 PolarHBondContact O-N 2.8Å; Q797-A800 PolarHBondContact O-N 2.92Å; Q797-S801 WeakPolarHBondContact O-CB 3.31Å; Q797-S801 PolarHBondContact O-N 3.48Å; Q797-S801 PolarHBondContact O-OG 2.82Å; Q797-M861 HydrophobicContact CG-SD 3.84Å; Q797-M861 PolarHBondContact NE2-SD 2.88Å; Q797-M861 VanDerWaalsContact NE2-SD 3.38Å; Q797-L865 HydrophobicContact CG-CD1 3.99Å
798	D	64.4	Low	58.6	Low	56 Å²	56	47.8 Å²	47.8	30%	0.299	26%	0.255	S	S	.	.	H	α-helix	trans	-72	-32.5	178.2	-54.7	-67.9	0	0	0	112.9	F776 H795 S801 R802	F776-D798 HydrophobicContact CD1-CB 3.91Å; F776-D798 HydrophobicContact CE1-CB 3.49Å; F776-D798 VanDerWaalsContact CE1-CB 3.49Å; F776-D798 HydrophobicContact CE2-CB 4.18Å; F776-D798 HydrophobicContact CG-CB 4.42Å; F776-D798 HydrophobicContact CZ-CB 3.66Å; H795-D798 HydrophobicContact CB-CB 4.23Å; H795-D798 IonicContact ND1-OD2 3.93Å; H795-D798 PolarHBondContact O-N 3.42Å; H795-D798 VanDerWaalsContact O-N 3.11Å; D798-S801 WeakPolarHBondContact CA-OG 3.4Å; D798-S801 PolarHBondContact O-OG 2.83Å; D798-R802 WeakPolarHBondContact O-CB 3.5Å; D798-R802 WeakPolarHBondContact O-CG 3.44Å; D798-R802 PolarHBondContact O-N 3.13Å; D798-R802 VanDerWaalsContact O-N 3.16Å; D798-R802 PolarHBondContact O-NE 3Å
799	F	64	Low	58.5	Low	13 Å²	13	52 Å²	52	6%	0.057	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-51.2	170.3	-171.9	-111.3	0	0	0	110.7	Y788 E791 I792 H795 S801 R802 L803 I839	Y788-F799 HydrophobicContact CD1-CE2 4.14Å; E791-F799 HydrophobicContact CB-CD2 4.35Å; I792-F799 HydrophobicContact CD1-CD1 4.34Å; I792-F799 HydrophobicContact CD1-CE1 3.72Å; I792-F799 HydrophobicContact CD1-CZ 3.9Å; I792-F799 HydrophobicContact CG1-CD1 3.54Å; I792-F799 HydrophobicContact CG1-CD2 4.47Å; I792-F799 HydrophobicContact CG1-CE1 3.44Å; I792-F799 VanDerWaalsContact CG1-CE1 3.44Å; I792-F799 HydrophobicContact CG1-CE2 4.41Å; I792-F799 HydrophobicContact CG1-CG 4.07Å; I792-F799 HydrophobicContact CG1-CZ 3.92Å; H795-F799 PolarHBondContact O-N 3.24Å; F799-S801 PolarHBondContact O-N 3.26Å; F799-R802 VanDerWaalsContact CA-NH2 3.34Å; F799-R802 PolarHBondContact O-N 3.44Å; F799-L803 HydrophobicContact CD1-CD1 3.6Å; F799-L803 HydrophobicContact CD2-CD1 4.46Å; F799-L803 HydrophobicContact CE1-CD1 3.43Å; F799-L803 VanDerWaalsContact CE1-CD1 3.43Å; F799-L803 HydrophobicContact CE2-CD1 4.3Å; F799-L803 HydrophobicContact CG-CD1 4.13Å; F799-L803 HydrophobicContact CZ-CD1 3.8Å; F799-L803 WeakPolarHBondContact O-CD1 3.37Å; F799-L803 WeakPolarHBondContact O-CG 3.42Å; F799-L803 PolarHBondContact O-N 3.14Å; F799-L803 VanDerWaalsContact O-N 3.1Å; F799-I839 HydrophobicContact CE1-CG2 4.18Å
800	A	57.3	Low	58.5	Low	44 Å²	44	51.2 Å²	51.2	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-63.7	-35.5	177.2	0	0	0	0	0	113.5	P796 Q797 K804	P796-A800 VanDerWaalsContact O-CB 3.27Å; P796-A800 WeakPolarHBondContact O-CB 3.42Å; P796-A800 PolarHBondContact O-N 2.96Å; Q797-A800 PolarHBondContact O-N 2.92Å; A800-K804 PolarHBondContact O-N 3.29Å
801	S	56.7	Low	58.2	Low	57 Å²	57	53.1 Å²	53.1	40%	0.399	29%	0.287	S	S	.	.	H	α-helix	trans	-70.5	-37.7	178.8	75.5	0	0	0	0	112.3	Q797 D798 F799 K804	Q797-S801 WeakPolarHBondContact O-CB 3.31Å; Q797-S801 PolarHBondContact O-N 3.48Å; Q797-S801 PolarHBondContact O-OG 2.82Å; D798-S801 WeakPolarHBondContact CA-OG 3.4Å; D798-S801 PolarHBondContact O-OG 2.83Å; F799-S801 PolarHBondContact O-N 3.26Å; S801-K804 PolarHBondContact O-N 2.82Å
802	R	60.6	Low	58.1	Low	63 Å²	63	56 Å²	56	24%	0.238	30%	0.301	C	S	.	.	H	α-helix	trans	-67	-42.1	173.6	-77.5	173.4	-68.5	153.2	8	112.3	E791 D798 F799 K804 K805	E791-R802 VanDerWaalsContact CD-NH1 3.26Å; E791-R802 IonicContact OE1-CZ 3.96Å; E791-R802 IonicContact OE1-NH1 3.91Å; E791-R802 PolarHBondContact OE1-NH1 3.19Å; E791-R802 IonicContact OE1-NH2 2.66Å; E791-R802 PolarHBondContact OE1-NH2 2.89Å; E791-R802 IonicContact OE2-CZ 2.95Å; E791-R802 VanDerWaalsContact OE2-CZ 3.32Å; E791-R802 IonicContact OE2-NH1 3.43Å; E791-R802 PolarHBondContact OE2-NH1 3.03Å; E791-R802 IonicContact OE2-NH2 3.6Å; E791-R802 PolarHBondContact OE2-NH2 2.99Å; D798-R802 WeakPolarHBondContact O-CB 3.5Å; D798-R802 WeakPolarHBondContact O-CG 3.44Å; D798-R802 PolarHBondContact O-N 3.13Å; D798-R802 VanDerWaalsContact O-N 3.16Å; D798-R802 PolarHBondContact O-NE 3Å; F799-R802 VanDerWaalsContact CA-NH2 3.34Å; F799-R802 PolarHBondContact O-N 3.44Å; R802-K804 PolarHBondContact O-N 3.39Å; R802-K805 PolarHBondContact O-N 2.71Å
803	L	57.5	Low	58.2	Low	14 Å²	14	57.5 Å²	57.5	7%	0.073	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-25.4	176.2	-72.7	160.8	0	0	0	113.1	F799 Y808 F823 L843	F799-L803 HydrophobicContact CD1-CD1 3.6Å; F799-L803 HydrophobicContact CD2-CD1 4.46Å; F799-L803 HydrophobicContact CE1-CD1 3.43Å; F799-L803 VanDerWaalsContact CE1-CD1 3.43Å; F799-L803 HydrophobicContact CE2-CD1 4.3Å; F799-L803 HydrophobicContact CG-CD1 4.13Å; F799-L803 HydrophobicContact CZ-CD1 3.8Å; F799-L803 WeakPolarHBondContact O-CD1 3.37Å; F799-L803 WeakPolarHBondContact O-CG 3.42Å; F799-L803 PolarHBondContact O-N 3.14Å; F799-L803 VanDerWaalsContact O-N 3.1Å; L803-Y808 HydrophobicContact CD2-CD1 3.98Å; L803-Y808 HydrophobicContact CD2-CE1 4.04Å; L803-Y808 WeakPolarHBondContact O-CE1 3.23Å; L803-F823 HydrophobicContact CD2-CD1 4.26Å; L803-F823 HydrophobicContact CD2-CE1 3.84Å; L803-L843 HydrophobicContact CB-CD2 3.7Å; L803-L843 HydrophobicContact CD1-CD1 3.79Å; L803-L843 HydrophobicContact CD1-CD2 3.97Å; L803-L843 HydrophobicContact CD1-CG 4.46Å; L803-L843 HydrophobicContact CD2-CD1 4.12Å; L803-L843 HydrophobicContact CG-CD1 4.42Å; L803-L843 HydrophobicContact CG-CD2 4.32Å
804	K	51.7	Low	58.5	Low	95 Å²	95	59.6 Å²	59.6	41%	0.413	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-8.4	174.5	-77.1	-179.7	178.1	173.7	0	115.4	A800 S801 R802 G806 F856	A800-K804 PolarHBondContact O-N 3.29Å; S801-K804 PolarHBondContact O-N 2.82Å; R802-K804 PolarHBondContact O-N 3.39Å; K804-G806 PolarHBondContact O-N 2.85Å; K804-G806 VanDerWaalsContact O-N 3.11Å; K804-F856 VanDerWaalsContact NZ-CE2 3.34Å
805	K	54.4	Low	58.6	Low	165 Å²	165	61.5 Å²	61.5	72%	0.717	34%	0.335	S	S	*	.	S	Bend	trans	-74.5	3.8	-172.9	-73.8	-168.7	173.9	-173.4	0	115.2	R802 A807	R802-K805 PolarHBondContact O-N 2.71Å; K805-A807 PolarHBondContact O-N 2.69Å
806	G	50.1	Low	58.4	Low	50 Å²	50	64.7 Å²	64.7	52%	0.515	36%	0.357	S	S	.	.	S	Bend	trans	72	-34.3	178	0	0	0	0	0	114.8	K804	K804-G806 PolarHBondContact O-N 2.85Å; K804-G806 VanDerWaalsContact O-N 3.11Å
807	A	57.1	Low	58.8	Low	40 Å²	40	65.4 Å²	65.4	33%	0.331	36%	0.358	S	S	.	.	S	Bend	trans	-90.7	105.6	162.8	0	0	0	0	0	109.1	K805 N809 V816	K805-A807 PolarHBondContact O-N 2.69Å; A807-N809 PolarHBondContact O-N 2.83Å; A807-N809 PolarHBondContact O-OD1 2.61Å; A807-V816 HydrophobicContact CB-CG1 4.02Å
808	Y	59.6	Low	59	Low	14 Å²	14	65.7 Å²	65.7	6%	0.055	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	89.1	178.9	-68.4	-83.1	0	0	0	109.5	L803 F817 M820 F823 D847	L803-Y808 HydrophobicContact CD2-CD1 3.98Å; L803-Y808 HydrophobicContact CD2-CE1 4.04Å; L803-Y808 WeakPolarHBondContact O-CE1 3.23Å; Y808-F817 WeakPolarHBondContact CB-O 3.48Å; Y808-F817 PolarHBondContact N-O 2.77Å; Y808-F817 WeakPolarHBondContact O-CD2 3.49Å; Y808-F817 PolarHBondContact O-N 3.12Å; Y808-M820 HydrophobicContact CE1-CB 4.11Å; Y808-M820 HydrophobicContact CE1-CG 4.17Å; Y808-M820 HydrophobicContact CE2-CB 3.9Å; Y808-F823 HydrophobicContact CD1-CD1 4.11Å; Y808-F823 HydrophobicContact CG-CB 4.32Å; Y808-F823 HydrophobicContact CG-CD1 4.5Å; Y808-F823 HydrophobicContact CG-CG 4.47Å; Y808-D847 PolarHBondContact OH-OD2 2.9Å
809	N	61.5	Low	59	Low	92 Å²	92	66 Å²	66	49%	0.492	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	124.1	-174.2	-68.1	-0.4	0	0	0	112	A807 P811 V816	A807-N809 PolarHBondContact O-N 2.83Å; A807-N809 PolarHBondContact O-OD1 2.61Å; N809-P811 VanDerWaalsContact O-CD 3.27Å; N809-P811 WeakPolarHBondContact O-CD 3.49Å; N809-V816 WeakPolarHBondContact OD1-CG1 3.28Å; N809-V816 WeakPolarHBondContact OD1-CG2 3.16Å
810	C	60.7	Low	58.7	Low	1 Å²	1	65.8 Å²	65.8	1%	0.007	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	112.8	169.3	174.8	0	0	0	0	110.9	Y788 Q812 C813 C814 R815 F817 F823 H826 H831	Y788-C810 PolarHBondContact OH-SG 2.77Å; C810-Q812 VanDerWaalsContact C-N 3.28Å; C810-Q812 PolarHBondContact O-N 3.42Å; C810-C813 HydrophobicContact CB-CB 4.47Å; C810-C813 PolarHBondContact O-N 2.82Å; C810-C813 PolarHBondContact SG-N 2.69Å; C810-C813 VanDerWaalsContact SG-N 3.36Å; C810-C814 VanDerWaalsContact O-CA 3.28Å; C810-C814 WeakPolarHBondContact O-CA 3.33Å; C810-C814 PolarHBondContact O-N 3.29Å; C810-R815 HydrophobicContact CB-CB 4.48Å; C810-R815 PolarHBondContact N-O 2.75Å; C810-F817 HydrophobicContact CB-CE2 4.34Å; C810-F823 HydrophobicContact CB-CE2 4.09Å; C810-H826 WeakPolarHBondContact CB-NE2 3.44Å; C810-H826 PolarHBondContact SG-NE2 3.46Å; C810-H831 PolarHBondContact SG-NE2 3.48Å
811	P	57.6	Low	58.8	Low	54 Å²	54	67.9 Å²	67.9	35%	0.351	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.6	178.7	24.8	-35	0	0	0	113.5	Y787 Y788 N809	Y787-P811 HydrophobicContact CE1-CG 3.83Å; Y788-P811 HydrophobicContact CE1-CG 4.17Å; N809-P811 VanDerWaalsContact O-CD 3.27Å; N809-P811 WeakPolarHBondContact O-CD 3.49Å
812	Q	59.9	Low	58.8	Low	62 Å²	62	67.7 Å²	67.7	29%	0.29	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-12.2	-175.5	-61	-56.2	-25.9	0	0	114.5	Y787 C810 H831	Y787-Q812 HydrophobicContact CD1-CG 4.11Å; Y787-Q812 HydrophobicContact CE1-CG 4.44Å; Y787-Q812 HydrophobicContact CG-CG 4.38Å; C810-Q812 VanDerWaalsContact C-N 3.28Å; C810-Q812 PolarHBondContact O-N 3.42Å; Q812-H831 WeakPolarHBondContact CB-CE1 3.2Å
813	C	62.3	Low	59	Low	45 Å²	45	65.1 Å²	65.1	30%	0.304	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.7	0.5	177.2	-66.3	0	0	0	0	113.4	C810 R815 H831	C810-C813 HydrophobicContact CB-CB 4.47Å; C810-C813 PolarHBondContact O-N 2.82Å; C810-C813 PolarHBondContact SG-N 2.69Å; C810-C813 VanDerWaalsContact SG-N 3.36Å; C813-R815 HydrophobicContact CB-CB 4.4Å; C813-R815 HydrophobicContact CB-CG 4.04Å; C813-R815 PolarHBondContact O-N 2.91Å; C813-H831 PolarHBondContact SG-CE1 3.31Å; C813-H831 PolarHBondContact SG-NE2 3.45Å
814	C	59.4	Low	59	Low	116 Å²	116	65.7 Å²	65.7	78%	0.784	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	23.7	-170.5	-60.5	0	0	0	0	114.4	C810	C810-C814 VanDerWaalsContact O-CA 3.28Å; C810-C814 WeakPolarHBondContact O-CA 3.33Å; C810-C814 PolarHBondContact O-N 3.29Å
815	R	61	Low	59.1	Low	148 Å²	148	63.9 Å²	63.9	56%	0.558	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.7	-178.5	-73.2	-174.6	-177.5	-164.5	0.7	110.6	C810 C813 F817	C810-R815 HydrophobicContact CB-CB 4.48Å; C810-R815 PolarHBondContact N-O 2.75Å; C813-R815 HydrophobicContact CB-CB 4.4Å; C813-R815 HydrophobicContact CB-CG 4.04Å; C813-R815 PolarHBondContact O-N 2.91Å; R815-F817 HydrophobicContact CB-CD2 4.34Å; R815-F817 HydrophobicContact CB-CE2 3.45Å; R815-F817 VanDerWaalsContact CB-CE2 3.45Å; R815-F817 HydrophobicContact CB-CZ 3.79Å
816	V	62.5	Low	59.6	Low	96 Å²	96	56.3 Å²	56.3	58%	0.582	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	131.6	172.4	-177	0	0	0	0	109.1	A807 N809	A807-V816 HydrophobicContact CB-CG1 4.02Å; N809-V816 WeakPolarHBondContact OD1-CG1 3.28Å; N809-V816 WeakPolarHBondContact OD1-CG2 3.16Å
817	F	60.3	Low	60.1	Low	37 Å²	37	54 Å²	54	16%	0.162	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.6	171.6	-60.5	-93.8	0	0	0	109.7	Y808 C810 R815 D819 F823 H826	Y808-F817 WeakPolarHBondContact CB-O 3.48Å; Y808-F817 PolarHBondContact N-O 2.77Å; Y808-F817 WeakPolarHBondContact O-CD2 3.49Å; Y808-F817 PolarHBondContact O-N 3.12Å; C810-F817 HydrophobicContact CB-CE2 4.34Å; R815-F817 HydrophobicContact CB-CD2 4.34Å; R815-F817 HydrophobicContact CB-CE2 3.45Å; R815-F817 VanDerWaalsContact CB-CE2 3.45Å; R815-F817 HydrophobicContact CB-CZ 3.79Å; F817-D819 VanDerWaalsContact C-N 3.3Å; F817-F823 HydrophobicContact CB-CB 4.07Å; F817-F823 HydrophobicContact CD2-CB 4.46Å; F817-F823 AromaticContact CD2-CD2 3.77Å; F817-F823 HydrophobicContact CD2-CD2 3.77Å; F817-F823 HydrophobicContact CE2-CD2 4.3Å; F817-F823 HydrophobicContact CG-CB 4.28Å; F817-F823 HydrophobicContact CG-CD2 4.42Å; F817-H826 HydrophobicContact CE1-CB 3.79Å; F817-H826 HydrophobicContact CE2-CB 3.98Å; F817-H826 AromaticContact CE2-CD2 3.17Å; F817-H826 WeakPolarHBondContact CE2-CD2 2.93Å; F817-H826 AromaticContact CE2-CG 3.6Å; F817-H826 AromaticContact CE2-NE2 3.81Å; F817-H826 HydrophobicContact CZ-CB 3.44Å; F817-H826 VanDerWaalsContact CZ-CB 3.44Å; F817-H826 AromaticContact CZ-CD2 3.37Å; F817-H826 WeakPolarHBondContact CZ-CD2 3.44Å; F817-H826 AromaticContact CZ-CG 3.25Å; F817-H826 AromaticContact CZ-ND1 3.87Å
818	S	60.7	Low	59.8	Low	118 Å²	118	56.3 Å²	56.3	83%	0.825	31%	0.314	S	S	*	.	S	Bend	trans	-86.2	-0.9	178.5	50.3	0	0	0	0	113.8
819	D	64	Low	59.3	Low	61 Å²	61	58.8 Å²	58.8	33%	0.326	33%	0.331	S	S	.	.	S	Bend	trans	-146.1	133.7	-174.6	154.5	48.4	0	0	0	109.8	F817 V821 S822 F823	F817-D819 VanDerWaalsContact C-N 3.3Å; D819-V821 VanDerWaalsContact C-N 3.32Å; D819-V821 PolarHBondContact O-N 2.7Å; D819-V821 PolarHBondContact OD1-N 3.24Å; D819-S822 PolarHBondContact O-N 3.23Å; D819-S822 VanDerWaalsContact OD2-CB 3.31Å; D819-S822 WeakPolarHBondContact OD2-CB 3.41Å; D819-S822 PolarHBondContact OD2-N 2.9Å; D819-S822 PolarHBondContact OD2-OG 2.68Å; D819-F823 PolarHBondContact O-N 2.87Å
820	M	58.3	Low	58.9	Low	10 Å²	10	57.5 Å²	57.5	5%	0.049	33%	0.326	C	S	.	.	H	α-helix	trans	-61.3	-37.3	179	-175.5	-176	146.3	0	0	112.5	Y808 F823 I824 L843	Y808-M820 HydrophobicContact CE1-CB 4.11Å; Y808-M820 HydrophobicContact CE1-CG 4.17Å; Y808-M820 HydrophobicContact CE2-CB 3.9Å; M820-F823 PolarHBondContact O-N 3.25Å; M820-I824 HydrophobicContact CE-CD1 3.56Å; M820-I824 HydrophobicContact CG-CD1 4.09Å; M820-I824 WeakPolarHBondContact O-CG1 3.32Å; M820-I824 PolarHBondContact O-N 3.33Å; M820-L843 HydrophobicContact CE-CB 3.55Å; M820-L843 HydrophobicContact CE-CD1 3.98Å; M820-L843 HydrophobicContact CE-CG 4.44Å; M820-L843 HydrophobicContact SD-CB 3.55Å; M820-L843 VanDerWaalsContact SD-CB 3.55Å; M820-L843 HydrophobicContact SD-CD1 4.38Å
821	V	58.3	Low	58.8	Low	88 Å²	88	57.8 Å²	57.8	53%	0.533	33%	0.327	S	S	.	.	H	α-helix	trans	-66.5	-43.9	179.9	-176.6	0	0	0	0	110	D819 F823 I824 I825	D819-V821 VanDerWaalsContact C-N 3.32Å; D819-V821 PolarHBondContact O-N 2.7Å; D819-V821 PolarHBondContact OD1-N 3.24Å; V821-F823 VanDerWaalsContact C-N 3.32Å; V821-F823 PolarHBondContact O-N 3.19Å; V821-I824 PolarHBondContact O-N 2.84Å; V821-I825 HydrophobicContact CG1-CD1 3.99Å; V821-I825 VanDerWaalsContact O-CG1 3.29Å; V821-I825 WeakPolarHBondContact O-CG1 3.47Å; V821-I825 PolarHBondContact O-N 3.42Å
822	S	58.3	Low	58.4	Low	52 Å²	52	61.3 Å²	61.3	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-61	-37.8	172.9	-60.7	0	0	0	0	112.5	D819 H826	D819-S822 PolarHBondContact O-N 3.23Å; D819-S822 VanDerWaalsContact OD2-CB 3.31Å; D819-S822 WeakPolarHBondContact OD2-CB 3.41Å; D819-S822 PolarHBondContact OD2-N 2.9Å; D819-S822 PolarHBondContact OD2-OG 2.68Å; S822-H826 WeakPolarHBondContact O-CB 3.11Å; S822-H826 PolarHBondContact O-N 2.79Å
823	F	63.2	Low	58	Low	10 Å²	10	58.8 Å²	58.8	4%	0.044	33%	0.325	C	S	.	.	H	α-helix	trans	-66.9	-45	173.8	-178.4	-120	0	0	0	112.6	L803 Y808 C810 F817 D819 M820 V821 I825 H826 L827	L803-F823 HydrophobicContact CD2-CD1 4.26Å; L803-F823 HydrophobicContact CD2-CE1 3.84Å; Y808-F823 HydrophobicContact CD1-CD1 4.11Å; Y808-F823 HydrophobicContact CG-CB 4.32Å; Y808-F823 HydrophobicContact CG-CD1 4.5Å; Y808-F823 HydrophobicContact CG-CG 4.47Å; C810-F823 HydrophobicContact CB-CE2 4.09Å; F817-F823 HydrophobicContact CB-CB 4.07Å; F817-F823 HydrophobicContact CD2-CB 4.46Å; F817-F823 AromaticContact CD2-CD2 3.77Å; F817-F823 HydrophobicContact CD2-CD2 3.77Å; F817-F823 HydrophobicContact CE2-CD2 4.3Å; F817-F823 HydrophobicContact CG-CB 4.28Å; F817-F823 HydrophobicContact CG-CD2 4.42Å; D819-F823 PolarHBondContact O-N 2.87Å; M820-F823 PolarHBondContact O-N 3.25Å; V821-F823 VanDerWaalsContact C-N 3.32Å; V821-F823 PolarHBondContact O-N 3.19Å; F823-I825 PolarHBondContact O-N 3.16Å; F823-H826 WeakPolarHBondContact O-CB 3.45Å; F823-H826 PolarHBondContact O-N 3.4Å; F823-H826 VanDerWaalsContact O-N 3.14Å; F823-L827 HydrophobicContact CD1-CD1 4.07Å; F823-L827 HydrophobicContact CE1-CD1 3.67Å; F823-L827 HydrophobicContact CE1-CG 4.29Å; F823-L827 HydrophobicContact CE2-CD2 4.21Å; F823-L827 HydrophobicContact CE2-CG 4.29Å; F823-L827 HydrophobicContact CZ-CD1 3.92Å; F823-L827 HydrophobicContact CZ-CD2 4.06Å; F823-L827 HydrophobicContact CZ-CG 4.14Å; F823-L827 WeakPolarHBondContact O-CG 3.24Å; F823-L827 PolarHBondContact O-N 2.92Å
824	I	58.8	Low	57.2	Low	26 Å²	26	60.5 Å²	60.5	13%	0.133	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-44.3	176.5	-70.8	171.2	0	0	0	111	M820 V821 H826 L827 Q828 V835	M820-I824 HydrophobicContact CE-CD1 3.56Å; M820-I824 HydrophobicContact CG-CD1 4.09Å; M820-I824 WeakPolarHBondContact O-CG1 3.32Å; M820-I824 PolarHBondContact O-N 3.33Å; V821-I824 PolarHBondContact O-N 2.84Å; I824-H826 VanDerWaalsContact C-N 3.27Å; I824-H826 PolarHBondContact O-N 3.13Å; I824-L827 PolarHBondContact O-N 3.25Å; I824-Q828 HydrophobicContact CG2-CG 4.41Å; I824-Q828 WeakPolarHBondContact O-CG 3.39Å; I824-Q828 PolarHBondContact O-N 3.25Å; I824-V835 HydrophobicContact CG1-CG2 4.16Å
825	I	53.5	Low	56.8	Low	56 Å²	56	55.7 Å²	55.7	29%	0.287	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-39.8	175	-69.2	167.5	0	0	0	110.3	P708 V821 F823 Q828 T829	P708-I825 HydrophobicContact CG-CG2 4.34Å; V821-I825 HydrophobicContact CG1-CD1 3.99Å; V821-I825 VanDerWaalsContact O-CG1 3.29Å; V821-I825 WeakPolarHBondContact O-CG1 3.47Å; V821-I825 PolarHBondContact O-N 3.42Å; F823-I825 PolarHBondContact O-N 3.16Å; I825-Q828 PolarHBondContact O-N 3.33Å; I825-T829 HydrophobicContact CG2-CG2 4.22Å; I825-T829 WeakPolarHBondContact O-CB 3.47Å; I825-T829 VanDerWaalsContact O-CG2 3.31Å; I825-T829 WeakPolarHBondContact O-CG2 3.45Å; I825-T829 PolarHBondContact O-N 2.79Å; I825-T829 PolarHBondContact O-OG1 3.06Å
826	H	64.9	Low	56	Low	7 Å²	7	49.9 Å²	49.9	3%	0.032	28%	0.283	C	S	.	.	H	α-helix	trans	-63.7	-44.9	174.4	168	54.2	0	0	0	113	C810 F817 S822 F823 I824 Q828 T829 V830 H831	C810-H826 WeakPolarHBondContact CB-NE2 3.44Å; C810-H826 PolarHBondContact SG-NE2 3.46Å; F817-H826 HydrophobicContact CE1-CB 3.79Å; F817-H826 HydrophobicContact CE2-CB 3.98Å; F817-H826 AromaticContact CE2-CD2 3.17Å; F817-H826 WeakPolarHBondContact CE2-CD2 2.93Å; F817-H826 AromaticContact CE2-CG 3.6Å; F817-H826 AromaticContact CE2-NE2 3.81Å; F817-H826 HydrophobicContact CZ-CB 3.44Å; F817-H826 VanDerWaalsContact CZ-CB 3.44Å; F817-H826 AromaticContact CZ-CD2 3.37Å; F817-H826 WeakPolarHBondContact CZ-CD2 3.44Å; F817-H826 AromaticContact CZ-CG 3.25Å; F817-H826 AromaticContact CZ-ND1 3.87Å; S822-H826 WeakPolarHBondContact O-CB 3.11Å; S822-H826 PolarHBondContact O-N 2.79Å; F823-H826 WeakPolarHBondContact O-CB 3.45Å; F823-H826 PolarHBondContact O-N 3.4Å; F823-H826 VanDerWaalsContact O-N 3.14Å; I824-H826 VanDerWaalsContact C-N 3.27Å; I824-H826 PolarHBondContact O-N 3.13Å; H826-Q828 VanDerWaalsContact C-N 3.34Å; H826-Q828 PolarHBondContact O-N 2.86Å; H826-T829 PolarHBondContact O-N 2.83Å; H826-V830 VanDerWaalsContact ND1-CG2 3.29Å; H826-V830 WeakPolarHBondContact ND1-CG2 3.35Å; H826-V830 WeakPolarHBondContact O-CB 3.18Å; H826-V830 PolarHBondContact O-N 3.44Å; H826-H831 AromaticContact CD2-NE2 3.9Å; H826-H831 AromaticContact CE1-CD2 3.95Å; H826-H831 AromaticContact CE1-NE2 2.97Å; H826-H831 PolarHBondContact CE1-NE2 3.15Å; H826-H831 AromaticContact NE2-CD2 3.86Å; H826-H831 AromaticContact NE2-NE2 2.75Å; H826-H831 PolarHBondContact NE2-NE2 2.86Å
827	L	59.2	Low	55	Low	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.1	-44.9	175.5	-67.8	176.4	0	0	0	111.5	Y788 F823 I824 H831 F832 F833 V835	Y788-L827 HydrophobicContact CD1-CD2 4.15Å; Y788-L827 HydrophobicContact CD2-CD2 3.84Å; Y788-L827 HydrophobicContact CE1-CD2 3.78Å; Y788-L827 HydrophobicContact CE2-CD2 3.45Å; Y788-L827 VanDerWaalsContact CE2-CD2 3.45Å; Y788-L827 HydrophobicContact CG-CD2 4.17Å; F823-L827 HydrophobicContact CD1-CD1 4.07Å; F823-L827 HydrophobicContact CE1-CD1 3.67Å; F823-L827 HydrophobicContact CE1-CG 4.29Å; F823-L827 HydrophobicContact CE2-CD2 4.21Å; F823-L827 HydrophobicContact CE2-CG 4.29Å; F823-L827 HydrophobicContact CZ-CD1 3.92Å; F823-L827 HydrophobicContact CZ-CD2 4.06Å; F823-L827 HydrophobicContact CZ-CG 4.14Å; F823-L827 WeakPolarHBondContact O-CG 3.24Å; F823-L827 PolarHBondContact O-N 2.92Å; I824-L827 PolarHBondContact O-N 3.25Å; L827-H831 CarbonylContact O-C 3.51Å; L827-H831 WeakPolarHBondContact O-CA 3.21Å; L827-H831 WeakPolarHBondContact O-CB 3.33Å; L827-H831 PolarHBondContact O-N 2.93Å; L827-H831 VanDerWaalsContact O-N 3.14Å; L827-F832 PolarHBondContact O-N 3Å; L827-F832 VanDerWaalsContact O-N 3.08Å; L827-F833 CarbonylContact C-O 3.57Å; L827-F833 HydrophobicContact CB-CD1 4.37Å; L827-F833 HydrophobicContact CD1-CD1 4.28Å; L827-F833 PolarHBondContact O-N 3.43Å; L827-V835 HydrophobicContact CD1-CG2 3.7Å
828	Q	52	Low	54.3	Low	90 Å²	90	51.5 Å²	51.5	42%	0.421	29%	0.288	S	S	.	.	H	α-helix	trans	-68.3	-37.8	179.2	-70.4	176.6	-1.9	0	0	113.1	I824 I825 H826 F832 F833 T834	I824-Q828 HydrophobicContact CG2-CG 4.41Å; I824-Q828 WeakPolarHBondContact O-CG 3.39Å; I824-Q828 PolarHBondContact O-N 3.25Å; I825-Q828 PolarHBondContact O-N 3.33Å; H826-Q828 VanDerWaalsContact C-N 3.34Å; H826-Q828 PolarHBondContact O-N 2.86Å; Q828-F832 WeakPolarHBondContact O-CA 3.48Å; Q828-F833 WeakPolarHBondContact CA-O 3.16Å; Q828-F833 WeakPolarHBondContact CG-O 3.35Å; Q828-F833 PolarHBondContact N-O 3.28Å; Q828-T834 HydrophobicContact CG-CG2 4.28Å
829	T	47.9	Very low	53.6	Low	66 Å²	66	46.8 Å²	46.8	41%	0.405	25%	0.253	S	S	.	.	H	α-helix	trans	-92	-28	-173.3	54.6	0	0	0	0	115	V710 I825 H826	V710-T829 HydrophobicContact CG2-CG2 4.44Å; I825-T829 HydrophobicContact CG2-CG2 4.22Å; I825-T829 WeakPolarHBondContact O-CB 3.47Å; I825-T829 VanDerWaalsContact O-CG2 3.31Å; I825-T829 WeakPolarHBondContact O-CG2 3.45Å; I825-T829 PolarHBondContact O-N 2.79Å; I825-T829 PolarHBondContact O-OG1 3.06Å; H826-T829 PolarHBondContact O-N 2.83Å
830	V	53.2	Low	52.6	Low	65 Å²	65	45.2 Å²	45.2	39%	0.394	25%	0.247	S	C	.	.	H	α-helix	trans	-106.9	-36.8	-177.5	-177.9	0	0	0	0	112	H826	H826-V830 VanDerWaalsContact ND1-CG2 3.29Å; H826-V830 WeakPolarHBondContact ND1-CG2 3.35Å; H826-V830 WeakPolarHBondContact O-CB 3.18Å; H826-V830 PolarHBondContact O-N 3.44Å
831	H	59.1	Low	51.7	Low	6 Å²	6	48.3 Å²	48.3	3%	0.028	26%	0.264	C	S	.	.	S	Bend	trans	-102.9	-2.8	-179.3	-60.8	-68.3	0	0	0	113.1	S785 Y788 C810 Q812 C813 H826 L827 F833	S785-H831 WeakPolarHBondContact CA-O 3.48Å; S785-H831 WeakPolarHBondContact CB-O 3.46Å; Y788-H831 HydrophobicContact CD2-CB 4.4Å; Y788-H831 HydrophobicContact CE2-CB 4.04Å; Y788-H831 AromaticContact CE2-CD2 4Å; Y788-H831 AromaticContact CE2-CG 3.8Å; C810-H831 PolarHBondContact SG-NE2 3.48Å; Q812-H831 WeakPolarHBondContact CB-CE1 3.2Å; C813-H831 PolarHBondContact SG-CE1 3.31Å; C813-H831 PolarHBondContact SG-NE2 3.45Å; H826-H831 AromaticContact CD2-NE2 3.9Å; H826-H831 AromaticContact CE1-CD2 3.95Å; H826-H831 AromaticContact CE1-NE2 2.97Å; H826-H831 PolarHBondContact CE1-NE2 3.15Å; H826-H831 AromaticContact NE2-CD2 3.86Å; H826-H831 AromaticContact NE2-NE2 2.75Å; H826-H831 PolarHBondContact NE2-NE2 2.86Å; L827-H831 CarbonylContact O-C 3.51Å; L827-H831 WeakPolarHBondContact O-CA 3.21Å; L827-H831 WeakPolarHBondContact O-CB 3.33Å; L827-H831 PolarHBondContact O-N 2.93Å; L827-H831 VanDerWaalsContact O-N 3.14Å; H831-F833 HydrophobicContact CB-CB 4.39Å; H831-F833 PolarHBondContact O-N 3.11Å; H831-F833 VanDerWaalsContact O-N 3.15Å
832	F	49.2	Very low	50.9	Low	128 Å²	128	49.8 Å²	49.8	56%	0.561	27%	0.265	S	S	*	.			trans	54.6	26	-174.6	-55.1	-83.4	0	0	0	113.3	L827 Q828	L827-F832 PolarHBondContact O-N 3Å; L827-F832 VanDerWaalsContact O-N 3.08Å; Q828-F832 WeakPolarHBondContact O-CA 3.48Å
833	F	51.1	Low	50.1	Low	9 Å²	9	48.2 Å²	48.2	4%	0.039	25%	0.252	C	S	.	.			trans	-103.4	122.1	-176.2	179.3	-105.5	0	0	0	111.6	Y788 L789 I792 L827 Q828 H831 V835	Y788-F833 HydrophobicContact CD2-CB 4.33Å; Y788-F833 HydrophobicContact CD2-CD1 4.32Å; Y788-F833 HydrophobicContact CD2-CG 4.33Å; Y788-F833 HydrophobicContact CG-CD1 4.12Å; Y788-F833 HydrophobicContact CG-CE1 4.49Å; Y788-F833 HydrophobicContact CG-CG 4.44Å; L789-F833 HydrophobicContact CB-CE2 3.94Å; L789-F833 HydrophobicContact CD1-CE2 4.41Å; I792-F833 HydrophobicContact CD1-CE1 4.13Å; I792-F833 HydrophobicContact CD1-CZ 3.64Å; L827-F833 CarbonylContact C-O 3.57Å; L827-F833 HydrophobicContact CB-CD1 4.37Å; L827-F833 HydrophobicContact CD1-CD1 4.28Å; L827-F833 PolarHBondContact O-N 3.43Å; Q828-F833 WeakPolarHBondContact CA-O 3.16Å; Q828-F833 WeakPolarHBondContact CG-O 3.35Å; Q828-F833 PolarHBondContact N-O 3.28Å; H831-F833 HydrophobicContact CB-CB 4.39Å; H831-F833 PolarHBondContact O-N 3.11Å; H831-F833 VanDerWaalsContact O-N 3.15Å; F833-V835 HydrophobicContact CD1-CG2 4.26Å; F833-V835 HydrophobicContact CE1-CB 4.41Å; F833-V835 HydrophobicContact CE1-CG2 3.88Å
834	T	46.2	Very low	48.9	Very low	81 Å²	81	50.9 Å²	50.9	50%	0.497	27%	0.271	S	S	.	.			trans	-93.6	114.6	170.6	48.3	0	0	0	0	110.3	Q828	Q828-T834 HydrophobicContact CG-CG2 4.28Å
835	V	51	Low	47.8	Very low	16 Å²	16	55.1 Å²	55.1	10%	0.097	29%	0.289	C	S	.	.			trans	-61.8	130.4	168.7	-176	0	0	0	0	109.2	I824 L827 F833 I839	I824-V835 HydrophobicContact CG1-CG2 4.16Å; L827-V835 HydrophobicContact CD1-CG2 3.7Å; F833-V835 HydrophobicContact CD1-CG2 4.26Å; F833-V835 HydrophobicContact CE1-CB 4.41Å; F833-V835 HydrophobicContact CE1-CG2 3.88Å; V835-I839 HydrophobicContact CG1-CB 3.96Å; V835-I839 HydrophobicContact CG1-CG2 3.74Å
836	P	44.1	Very low	46.9	Very low	25 Å²	25	56.9 Å²	56.9	16%	0.162	29%	0.292	C	S	.	.			trans	-58.7	144	172.9	-26.2	34.6	0	0	0	113.4	E838 I839 S840 L875	P836-E838 VanDerWaalsContact C-N 3.32Å; P836-E838 PolarHBondContact O-N 3.46Å; P836-I839 HydrophobicContact CG-CD1 4.26Å; P836-I839 WeakPolarHBondContact O-CB 3.48Å; P836-I839 PolarHBondContact O-N 2.98Å; P836-I839 VanDerWaalsContact O-N 3.1Å; P836-S840 PolarHBondContact O-N 3.14Å; P836-S840 VanDerWaalsContact O-N 3.12Å; P836-L875 HydrophobicContact CB-CD1 4.24Å; P836-L875 HydrophobicContact CG-CD1 4.15Å
837	D	42.6	Very low	45.4	Very low	95 Å²	95	60.2 Å²	60.2	51%	0.508	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-34.4	-173.3	-69.8	-35.1	0	0	0	112.6	I839 S840 N841	D837-I839 VanDerWaalsContact C-N 3.32Å; D837-I839 PolarHBondContact O-N 2.91Å; D837-S840 PolarHBondContact O-N 3.38Å; D837-N841 VanDerWaalsContact O-CB 3.31Å; D837-N841 WeakPolarHBondContact O-CB 3.37Å; D837-N841 PolarHBondContact O-N 2.94Å; D837-N841 PolarHBondContact O-ND2 3.46Å; D837-N841 VanDerWaalsContact O-ND2 3.08Å
838	E	44.5	Very low	44.1	Very low	72 Å²	72	64.9 Å²	64.9	34%	0.336	34%	0.343	S	S	.	.	H	α-helix	trans	-64.9	-37.3	177	-56.4	84.4	-177.8	0	0	112	P836 N841 H842 L871	P836-E838 VanDerWaalsContact C-N 3.32Å; P836-E838 PolarHBondContact O-N 3.46Å; E838-N841 PolarHBondContact O-N 3.1Å; E838-H842 WeakPolarHBondContact O-CB 3.17Å; E838-H842 PolarHBondContact O-CD2 3.06Å; E838-H842 PolarHBondContact O-N 3.02Å; E838-L871 HydrophobicContact CB-CD1 3.88Å; E838-L871 HydrophobicContact CG-CD1 3.64Å; E838-L871 HydrophobicContact CG-CD2 4.18Å
839	I	45.2	Very low	43.3	Very low	20 Å²	20	64.3 Å²	64.3	10%	0.103	35%	0.346	C	S	.	.	H	α-helix	trans	-66.4	-45.3	175.7	-65.8	-179.3	0	0	0	109.6	I792 F799 V835 P836 D837 N841 H842 L843 L868	I792-I839 HydrophobicContact CD1-CD1 3.86Å; I792-I839 HydrophobicContact CG1-CD1 4.03Å; I792-I839 HydrophobicContact CG2-CD1 3.74Å; F799-I839 HydrophobicContact CE1-CG2 4.18Å; V835-I839 HydrophobicContact CG1-CB 3.96Å; V835-I839 HydrophobicContact CG1-CG2 3.74Å; P836-I839 HydrophobicContact CG-CD1 4.26Å; P836-I839 WeakPolarHBondContact O-CB 3.48Å; P836-I839 PolarHBondContact O-N 2.98Å; P836-I839 VanDerWaalsContact O-N 3.1Å; D837-I839 VanDerWaalsContact C-N 3.32Å; D837-I839 PolarHBondContact O-N 2.91Å; I839-N841 PolarHBondContact O-N 2.87Å; I839-H842 PolarHBondContact O-N 2.96Å; I839-L843 HydrophobicContact CG2-CD1 3.79Å; I839-L843 HydrophobicContact CG2-CG 4.45Å; I839-L843 WeakPolarHBondContact O-CD1 3.16Å; I839-L843 VanDerWaalsContact O-CG 3.23Å; I839-L843 WeakPolarHBondContact O-CG 3.27Å; I839-L843 PolarHBondContact O-N 2.83Å; I839-L868 HydrophobicContact CD1-CD2 3.91Å; I839-L868 HydrophobicContact CG1-CD2 3.91Å
840	S	43	Very low	42.6	Very low	28 Å²	28	69.3 Å²	69.3	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-58	-48.8	175.3	-166.2	0	0	0	0	111.5	P836 D837 H842 L843 C844	P836-S840 PolarHBondContact O-N 3.14Å; P836-S840 VanDerWaalsContact O-N 3.12Å; D837-S840 PolarHBondContact O-N 3.38Å; S840-H842 VanDerWaalsContact C-N 3.33Å; S840-H842 PolarHBondContact O-N 3.36Å; S840-L843 PolarHBondContact O-N 3.44Å; S840-C844 PolarHBondContact O-N 2.88Å; S840-C844 PolarHBondContact O-SG 3.31Å
841	N	40.5	Very low	41.7	Very low	75 Å²	75	73.4 Å²	73.4	40%	0.401	38%	0.382	S	S	.	.	H	α-helix	trans	-64.3	-33.8	-180	-68.7	-26.9	0	0	0	113.2	D837 E838 I839 K845	D837-N841 VanDerWaalsContact O-CB 3.31Å; D837-N841 WeakPolarHBondContact O-CB 3.37Å; D837-N841 PolarHBondContact O-N 2.94Å; D837-N841 PolarHBondContact O-ND2 3.46Å; D837-N841 VanDerWaalsContact O-ND2 3.08Å; E838-N841 PolarHBondContact O-N 3.1Å; I839-N841 PolarHBondContact O-N 2.87Å; N841-K845 WeakPolarHBondContact O-CG 3.43Å
842	H	40.7	Very low	40.3	Very low	118 Å²	118	79 Å²	79	55%	0.546	41%	0.412	S	S	.	.	H	α-helix	trans	-75.1	-29.9	174.8	-86.8	-66.1	0	0	0	113.3	E838 I839 S840	E838-H842 WeakPolarHBondContact O-CB 3.17Å; E838-H842 PolarHBondContact O-CD2 3.06Å; E838-H842 PolarHBondContact O-N 3.02Å; I839-H842 PolarHBondContact O-N 2.96Å; S840-H842 VanDerWaalsContact C-N 3.33Å; S840-H842 PolarHBondContact O-N 3.36Å
843	L	42.6	Very low	39.3	Very low	20 Å²	20	82.4 Å²	82.4	11%	0.105	43%	0.43	C	S	.	.	H	α-helix	trans	-76.2	-43.8	176.8	-70.3	165.6	0	0	0	112.6	L803 M820 I839 S840 K845 Y846 D847	L803-L843 HydrophobicContact CB-CD2 3.7Å; L803-L843 HydrophobicContact CD1-CD1 3.79Å; L803-L843 HydrophobicContact CD1-CD2 3.97Å; L803-L843 HydrophobicContact CD1-CG 4.46Å; L803-L843 HydrophobicContact CD2-CD1 4.12Å; L803-L843 HydrophobicContact CG-CD1 4.42Å; L803-L843 HydrophobicContact CG-CD2 4.32Å; M820-L843 HydrophobicContact CE-CB 3.55Å; M820-L843 HydrophobicContact CE-CD1 3.98Å; M820-L843 HydrophobicContact CE-CG 4.44Å; M820-L843 HydrophobicContact SD-CB 3.55Å; M820-L843 VanDerWaalsContact SD-CB 3.55Å; M820-L843 HydrophobicContact SD-CD1 4.38Å; I839-L843 HydrophobicContact CG2-CD1 3.79Å; I839-L843 HydrophobicContact CG2-CG 4.45Å; I839-L843 WeakPolarHBondContact O-CD1 3.16Å; I839-L843 VanDerWaalsContact O-CG 3.23Å; I839-L843 WeakPolarHBondContact O-CG 3.27Å; I839-L843 PolarHBondContact O-N 2.83Å; S840-L843 PolarHBondContact O-N 3.44Å; L843-K845 PolarHBondContact O-N 2.99Å; L843-K845 VanDerWaalsContact O-N 3.11Å; L843-Y846 PolarHBondContact O-N 2.78Å; L843-D847 PolarHBondContact O-N 3.19Å
844	C	37.8	Very low	38.3	Very low	66 Å²	66	86.2 Å²	86.2	45%	0.446	45%	0.449	S	S	.	.	H	α-helix	trans	-59.2	-25.2	175	-67.2	0	0	0	0	112.8	S840 S848	S840-C844 PolarHBondContact O-N 2.88Å; S840-C844 PolarHBondContact O-SG 3.31Å; C844-S848 PolarHBondContact O-OG 2.9Å
845	K	35.9	Very low	37.4	Very low	114 Å²	114	87.8 Å²	87.8	50%	0.496	46%	0.455	S	S	.	.	H	α-helix	trans	-72.3	-26.3	171.8	-74.6	177.9	178.3	-176.7	0	113.6	N841 L843	N841-K845 WeakPolarHBondContact O-CG 3.43Å; L843-K845 PolarHBondContact O-N 2.99Å; L843-K845 VanDerWaalsContact O-N 3.11Å
846	Y	34	Very low	36.3	Very low	93 Å²	93	91.3 Å²	91.3	37%	0.365	47%	0.469	S	S	.	.	H	α-helix	trans	-78.3	-41.8	179.4	-93.7	-67.3	0	0	0	113.8	L843 S848 T849 F856	L843-Y846 PolarHBondContact O-N 2.78Å; Y846-S848 PolarHBondContact O-N 2.74Å; Y846-S848 VanDerWaalsContact O-N 3.12Å; Y846-T849 PolarHBondContact O-N 3.15Å; Y846-T849 PolarHBondContact O-OG1 2.83Å; Y846-T849 VanDerWaalsContact O-OG1 3.11Å; Y846-F856 HydrophobicContact CE1-CZ 4.11Å; Y846-F856 AromaticContact CZ-CZ 3.99Å; Y846-F856 WeakPolarHBondContact OH-CE1 3.4Å; Y846-F856 VanDerWaalsContact OH-CZ 3.26Å; Y846-F856 WeakPolarHBondContact OH-CZ 3.4Å
847	D	34	Very low	35.6	Very low	77 Å²	77	96.9 Å²	96.9	41%	0.412	50%	0.497	S	S	.	.	H	α-helix	trans	-63.6	-17	176.5	-96.5	-44.6	0	0	0	112.7	Y808 L843	Y808-D847 PolarHBondContact OH-OD2 2.9Å; L843-D847 PolarHBondContact O-N 3.19Å
848	S	32.6	Very low	34.9	Very low	99 Å²	99	99.2 Å²	99.2	69%	0.692	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-18.8	172.6	-58.1	0	0	0	0	113.9	C844 Y846	C844-S848 PolarHBondContact O-OG 2.9Å; Y846-S848 PolarHBondContact O-N 2.74Å; Y846-S848 VanDerWaalsContact O-N 3.12Å
849	T	34.8	Very low	33.9	Very low	77 Å²	77	99.8 Å²	99.8	47%	0.472	52%	0.515	S	S	.	.			trans	-119	62.3	-172.4	52.3	0	0	0	0	112.2	Y846 N851	Y846-T849 PolarHBondContact O-N 3.15Å; Y846-T849 PolarHBondContact O-OG1 2.83Å; Y846-T849 VanDerWaalsContact O-OG1 3.11Å; T849-N851 VanDerWaalsContact C-N 3.33Å; T849-N851 PolarHBondContact O-N 2.64Å
850	K	33.4	Very low	33.1	Very low	171 Å²	171	103.5 Å²	103.5	74%	0.743	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.5	-172.9	-87.9	-172.1	172.9	-178.1	0	117.2
851	N	32.9	Very low	32.2	Very low	151 Å²	151	107 Å²	107	81%	0.807	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	-8.4	-167.9	-78.7	26	0	0	0	116.5	T849	T849-N851 VanDerWaalsContact C-N 3.33Å; T849-N851 PolarHBondContact O-N 2.64Å
852	N	29.6	Very low	31.7	Very low	123 Å²	123	107.8 Å²	107.8	66%	0.658	57%	0.566	S	S	*	*			trans	-104.4	113.2	-173.9	-69.1	14.9	0	0	0	111.9	I854	N852-I854 HydrophobicContact CB-CD1 4.31Å; N852-I854 HydrophobicContact CB-CG1 3.86Å; N852-I854 PolarHBondContact O-N 3.34Å
853	Q	29.9	Very low	31.2	Very low	201 Å²	201	105 Å²	105	94%	0.939	56%	0.56	S	S	*	*			trans	-69.3	72	165.9	-67.6	-176.1	-3.8	0	0	110.5	N855	Q853-N855 PolarHBondContact O-N 2.92Å; Q853-N855 VanDerWaalsContact O-N 3.12Å
854	I	28.7	Very low	30.6	Very low	89 Å²	89	110.5 Å²	110.5	46%	0.456	58%	0.583	S	S	.	*			trans	-72	109.7	179.1	-60.1	-179.7	0	0	0	108.8	N852 F856	N852-I854 HydrophobicContact CB-CD1 4.31Å; N852-I854 HydrophobicContact CB-CG1 3.86Å; N852-I854 PolarHBondContact O-N 3.34Å; I854-F856 WeakPolarHBondContact O-CD2 3.27Å; I854-F856 WeakPolarHBondContact O-CE2 3.34Å; I854-F856 PolarHBondContact O-N 3.48Å
855	N	26.7	Very low	30.2	Very low	114 Å²	114	109.9 Å²	109.9	61%	0.61	58%	0.575	S	S	*	*			trans	-67.1	113.5	177.6	-173.8	-15.5	0	0	0	110.2	Q853 N857	Q853-N855 PolarHBondContact O-N 2.92Å; Q853-N855 VanDerWaalsContact O-N 3.12Å; N855-N857 VanDerWaalsContact C-N 3.29Å; N855-N857 PolarHBondContact O-N 2.75Å; N855-N857 PolarHBondContact OD1-N 2.97Å
856	F	28.1	Very low	30	Very low	89 Å²	89	107.5 Å²	107.5	39%	0.39	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-75	-12.3	-169.2	-82	-83.4	0	0	0	114.9	K804 Y846 I854 N858 L859	K804-F856 VanDerWaalsContact NZ-CE2 3.34Å; Y846-F856 HydrophobicContact CE1-CZ 4.11Å; Y846-F856 AromaticContact CZ-CZ 3.99Å; Y846-F856 WeakPolarHBondContact OH-CE1 3.4Å; Y846-F856 VanDerWaalsContact OH-CZ 3.26Å; Y846-F856 WeakPolarHBondContact OH-CZ 3.4Å; I854-F856 WeakPolarHBondContact O-CD2 3.27Å; I854-F856 WeakPolarHBondContact O-CE2 3.34Å; I854-F856 PolarHBondContact O-N 3.48Å; F856-N858 PolarHBondContact O-N 2.63Å; F856-N858 VanDerWaalsContact O-N 3.14Å; F856-L859 PolarHBondContact O-N 3.16Å
857	N	29.6	Very low	30	Very low	142 Å²	142	107.3 Å²	107.3	76%	0.759	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-60.7	-26.1	-178	-66.2	0.4	0	0	0	113.1	N855	N855-N857 VanDerWaalsContact C-N 3.29Å; N855-N857 PolarHBondContact O-N 2.75Å; N855-N857 PolarHBondContact OD1-N 2.97Å
858	N	28.4	Very low	29.8	Very low	145 Å²	145	106.2 Å²	106.2	78%	0.775	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-102.6	3.5	-175.3	-69.4	4	0	0	0	114.5	F856	F856-N858 PolarHBondContact O-N 2.63Å; F856-N858 VanDerWaalsContact O-N 3.14Å
859	L	24.2	Very low	29.8	Very low	84 Å²	84	104.5 Å²	104.5	44%	0.44	56%	0.557	S	S	.	*	S	Bend	trans	-93.2	118.8	169.7	-137.5	77.6	0	0	0	108.6	F856 M861	F856-L859 PolarHBondContact O-N 3.16Å; L859-M861 PolarHBondContact O-N 3.36Å
860	P	26.9	Very low	29.7	Very low	97 Å²	97	104.4 Å²	104.4	63%	0.63	56%	0.557	S	S	*	*			trans	-67	93.1	-172.9	25.6	-34.4	0	0	0	110.8	S862	P860-S862 PolarHBondContact O-N 3.04Å; P860-S862 VanDerWaalsContact O-N 3.13Å
861	M	25.5	Very low	29.6	Very low	101 Å²	101	98.5 Å²	98.5	50%	0.498	53%	0.533	S	S	.	.	H	α-helix	trans	-63.1	-27.1	-168.1	-138.8	-160.3	-53.1	0	0	112.6	Q797 L859 S863 L865	Q797-M861 HydrophobicContact CG-SD 3.84Å; Q797-M861 PolarHBondContact NE2-SD 2.88Å; Q797-M861 VanDerWaalsContact NE2-SD 3.38Å; L859-M861 PolarHBondContact O-N 3.36Å; M861-S863 PolarHBondContact O-N 3.46Å; M861-L865 HydrophobicContact CG-CD1 4.24Å; M861-L865 WeakPolarHBondContact O-CB 3.26Å; M861-L865 PolarHBondContact O-N 2.98Å; M861-L865 VanDerWaalsContact O-N 3.08Å; M861-L865 HydrophobicContact SD-CD1 3.65Å
862	S	29.7	Very low	29.6	Very low	92 Å²	92	92.8 Å²	92.8	64%	0.643	50%	0.501	S	S	*	.	H	α-helix	trans	-42.7	-65.5	175.9	177.4	0	0	0	0	112.4	P860 K864 L865 T866	P860-S862 PolarHBondContact O-N 3.04Å; P860-S862 VanDerWaalsContact O-N 3.13Å; S862-K864 PolarHBondContact O-N 2.64Å; S862-L865 PolarHBondContact O-N 3.02Å; S862-T866 WeakPolarHBondContact O-CG2 3.15Å; S862-T866 PolarHBondContact O-N 3.42Å; S862-T866 PolarHBondContact O-OG1 3.37Å
863	S	29.2	Very low	29.7	Very low	61 Å²	61	90 Å²	90	43%	0.427	49%	0.491	S	S	.	.	H	α-helix	trans	-66.2	-37.6	-167.8	61.3	0	0	0	0	114.1	M861 T866 N867	M861-S863 PolarHBondContact O-N 3.46Å; S863-T866 VanDerWaalsContact CA-OG1 3.31Å; S863-T866 WeakPolarHBondContact CA-OG1 3.36Å; S863-T866 PolarHBondContact O-OG1 2.67Å; S863-N867 WeakPolarHBondContact O-CB 3.31Å; S863-N867 PolarHBondContact O-N 3.27Å; S863-N867 PolarHBondContact O-OD1 2.94Å
864	K	30.8	Very low	29.6	Very low	135 Å²	135	82.6 Å²	82.6	59%	0.587	46%	0.461	S	S	*	.	H	α-helix	trans	-81.5	-21.1	-178.6	-70.5	179.9	-179.6	173.1	0	113.4	S862 N867 L868	S862-K864 PolarHBondContact O-N 2.64Å; K864-N867 WeakPolarHBondContact O-CB 3.32Å; K864-N867 PolarHBondContact O-N 3.35Å; K864-L868 PolarHBondContact O-N 2.89Å
865	L	29.5	Very low	29.6	Very low	52 Å²	52	80.8 Å²	80.8	27%	0.272	45%	0.452	S	S	.	.	H	α-helix	trans	-94	-29.8	176.8	-151.9	153.2	0	0	0	110.9	P796 Q797 M861 S862 N867 L868 S869	P796-L865 HydrophobicContact CB-CD1 4.48Å; P796-L865 HydrophobicContact CG-CD1 4.13Å; P796-L865 HydrophobicContact CG-CD2 3.77Å; P796-L865 HydrophobicContact CG-CG 4.16Å; Q797-L865 HydrophobicContact CG-CD1 3.99Å; M861-L865 HydrophobicContact CG-CD1 4.24Å; M861-L865 WeakPolarHBondContact O-CB 3.26Å; M861-L865 PolarHBondContact O-N 2.98Å; M861-L865 VanDerWaalsContact O-N 3.08Å; M861-L865 HydrophobicContact SD-CD1 3.65Å; S862-L865 PolarHBondContact O-N 3.02Å; L865-N867 PolarHBondContact O-N 3.24Å; L865-L868 WeakPolarHBondContact O-CA 3.17Å; L865-L868 WeakPolarHBondContact O-CB 3.27Å; L865-L868 PolarHBondContact O-N 2.98Å; L865-S869 PolarHBondContact O-N 2.95Å
866	T	32.1	Very low	29.7	Very low	65 Å²	65	75.5 Å²	75.5	40%	0.399	42%	0.424	S	S	.	.	H	α-helix	trans	-62	-31.8	155	55.3	0	0	0	0	111.3	S862 S863 L868 S869 T870	S862-T866 WeakPolarHBondContact O-CG2 3.15Å; S862-T866 PolarHBondContact O-N 3.42Å; S862-T866 PolarHBondContact O-OG1 3.37Å; S863-T866 VanDerWaalsContact CA-OG1 3.31Å; S863-T866 WeakPolarHBondContact CA-OG1 3.36Å; S863-T866 PolarHBondContact O-OG1 2.67Å; T866-L868 PolarHBondContact O-N 2.74Å; T866-S869 CarbonylContact O-C 2.88Å; T866-S869 PolarHBondContact O-N 2.91Å; T866-S869 PolarHBondContact O-OG 3.11Å; T866-T870 WeakPolarHBondContact O-CB 3.43Å; T866-T870 WeakPolarHBondContact O-CG2 3.23Å; T866-T870 PolarHBondContact O-N 3.17Å; T866-T870 PolarHBondContact O-OG1 3.36Å
867	N	33	Very low	29.6	Very low	88 Å²	88	75.6 Å²	75.6	47%	0.471	43%	0.427	S	S	.	.	H	α-helix	trans	-65.4	-25.1	169.6	-75.6	-2.5	0	0	0	112.7	S863 K864 L865 T870 L871	S863-N867 WeakPolarHBondContact O-CB 3.31Å; S863-N867 PolarHBondContact O-N 3.27Å; S863-N867 PolarHBondContact O-OD1 2.94Å; K864-N867 WeakPolarHBondContact O-CB 3.32Å; K864-N867 PolarHBondContact O-N 3.35Å; L865-N867 PolarHBondContact O-N 3.24Å; N867-T870 WeakPolarHBondContact CA-OG1 3.29Å; N867-L871 WeakPolarHBondContact O-CA 3.38Å; N867-L871 WeakPolarHBondContact O-CB 3.31Å; N867-L871 WeakPolarHBondContact O-CD1 3.35Å; N867-L871 WeakPolarHBondContact O-CG 3.15Å; N867-L871 PolarHBondContact O-N 3.21Å
868	L	30.4	Very low	29.3	Very low	54 Å²	54	71 Å²	71	28%	0.283	41%	0.406	S	S	.	.	H	α-helix	trans	-75.9	-35.9	168.7	-86.8	168.5	0	0	0	112.5	P796 I839 K864 L865 T866 Y872	P796-L868 HydrophobicContact CB-CD1 4.35Å; I839-L868 HydrophobicContact CD1-CD2 3.91Å; I839-L868 HydrophobicContact CG1-CD2 3.91Å; K864-L868 PolarHBondContact O-N 2.89Å; L865-L868 WeakPolarHBondContact O-CA 3.17Å; L865-L868 WeakPolarHBondContact O-CB 3.27Å; L865-L868 PolarHBondContact O-N 2.98Å; T866-L868 PolarHBondContact O-N 2.74Å; L868-Y872 VanDerWaalsContact O-CB 3.26Å; L868-Y872 WeakPolarHBondContact O-CB 3.38Å; L868-Y872 PolarHBondContact O-N 3.25Å
869	S	32.5	Very low	29.2	Very low	64 Å²	64	66.7 Å²	66.7	45%	0.448	38%	0.384	S	S	.	.	H	α-helix	trans	-78.4	-26.8	175.9	73.7	0	0	0	0	113.6	L865 T866 S873	L865-S869 PolarHBondContact O-N 2.95Å; T866-S869 CarbonylContact O-C 2.88Å; T866-S869 PolarHBondContact O-N 2.91Å; T866-S869 PolarHBondContact O-OG 3.11Å; S869-S873 WeakPolarHBondContact O-CB 3.39Å; S869-S873 PolarHBondContact O-N 2.7Å; S869-S873 PolarHBondContact O-OG 3.44Å
870	T	32.6	Very low	29.3	Very low	75 Å²	75	65.8 Å²	65.8	46%	0.46	38%	0.38	S	S	.	.	H	α-helix	trans	-83.3	-30.9	169.2	63.7	0	0	0	0	111.7	T866 N867 Y872 S873 S874	T866-T870 WeakPolarHBondContact O-CB 3.43Å; T866-T870 WeakPolarHBondContact O-CG2 3.23Å; T866-T870 PolarHBondContact O-N 3.17Å; T866-T870 PolarHBondContact O-OG1 3.36Å; N867-T870 WeakPolarHBondContact CA-OG1 3.29Å; T870-Y872 VanDerWaalsContact C-N 3.29Å; T870-S873 CarbonylContact O-C 3.45Å; T870-S873 PolarHBondContact O-N 3.08Å; T870-S874 WeakPolarHBondContact O-CA 3.41Å; T870-S874 WeakPolarHBondContact O-CB 3.41Å; T870-S874 PolarHBondContact O-N 2.83Å
871	L	31.3	Very low	29.2	Very low	47 Å²	47	66.5 Å²	66.5	25%	0.246	38%	0.384	C	S	.	.	H	α-helix	trans	-67.6	-28.6	163	-78.3	167.4	0	0	0	111.6	E838 N867 S874 L875	E838-L871 HydrophobicContact CB-CD1 3.88Å; E838-L871 HydrophobicContact CG-CD1 3.64Å; E838-L871 HydrophobicContact CG-CD2 4.18Å; N867-L871 WeakPolarHBondContact O-CA 3.38Å; N867-L871 WeakPolarHBondContact O-CB 3.31Å; N867-L871 WeakPolarHBondContact O-CD1 3.35Å; N867-L871 WeakPolarHBondContact O-CG 3.15Å; N867-L871 PolarHBondContact O-N 3.21Å; L871-S874 CarbonylContact O-C 3.34Å; L871-S874 WeakPolarHBondContact O-CB 3.24Å; L871-S874 PolarHBondContact O-N 3.13Å; L871-L875 WeakPolarHBondContact O-CB 3.38Å; L871-L875 WeakPolarHBondContact O-CD1 3.27Å; L871-L875 WeakPolarHBondContact O-CG 3.36Å; L871-L875 PolarHBondContact O-N 2.8Å
872	Y	33.7	Very low	29.4	Very low	31 Å²	31	64.3 Å²	64.3	12%	0.122	38%	0.376	C	S	.	.	H	α-helix	trans	-75.6	-42.2	171.5	-174.8	-102.4	0	0	0	111.5	L789 I793 L868 T870 S874 L875 C876 P900 I912	L789-Y872 HydrophobicContact CD1-CE2 4.17Å; I793-Y872 HydrophobicContact CD1-CD2 4.11Å; I793-Y872 HydrophobicContact CD1-CE1 4.06Å; I793-Y872 HydrophobicContact CD1-CE2 3.55Å; I793-Y872 HydrophobicContact CG1-CD2 4.08Å; I793-Y872 HydrophobicContact CG1-CE1 4.49Å; I793-Y872 HydrophobicContact CG1-CE2 4.04Å; I793-Y872 HydrophobicContact CG1-CG 4.33Å; L868-Y872 VanDerWaalsContact O-CB 3.26Å; L868-Y872 WeakPolarHBondContact O-CB 3.38Å; L868-Y872 PolarHBondContact O-N 3.25Å; T870-Y872 VanDerWaalsContact C-N 3.29Å; Y872-S874 PolarHBondContact O-N 2.75Å; Y872-L875 PolarHBondContact O-N 3.01Å; Y872-C876 VanDerWaalsContact CE1-SG 3.58Å; Y872-C876 WeakPolarHBondContact O-CB 3.36Å; Y872-C876 PolarHBondContact O-N 3.35Å; Y872-C876 PolarHBondContact O-SG 3.38Å; Y872-P900 HydrophobicContact CE1-CG 4.16Å; Y872-I912 WeakPolarHBondContact OH-CG2 3.42Å
873	S	31.1	Very low	29.3	Very low	64 Å²	64	64.8 Å²	64.8	45%	0.448	38%	0.38	S	S	.	.	H	α-helix	trans	-58	-33.6	168.1	-58.5	0	0	0	0	111	S869 T870 M877	S869-S873 WeakPolarHBondContact O-CB 3.39Å; S869-S873 PolarHBondContact O-N 2.7Å; S869-S873 PolarHBondContact O-OG 3.44Å; T870-S873 CarbonylContact O-C 3.45Å; T870-S873 PolarHBondContact O-N 3.08Å; S873-M877 VanDerWaalsContact O-CB 3.24Å; S873-M877 WeakPolarHBondContact O-CB 3.43Å; S873-M877 WeakPolarHBondContact O-CG 3.4Å; S873-M877 PolarHBondContact O-N 3.19Å
874	S	28.1	Very low	29.5	Very low	45 Å²	45	62.9 Å²	62.9	32%	0.315	36%	0.363	S	S	.	.	H	α-helix	trans	-70.5	-56.4	171.3	-149.5	0	0	0	0	109.8	T870 L871 Y872 C876 M877 S878	T870-S874 WeakPolarHBondContact O-CA 3.41Å; T870-S874 WeakPolarHBondContact O-CB 3.41Å; T870-S874 PolarHBondContact O-N 2.83Å; L871-S874 CarbonylContact O-C 3.34Å; L871-S874 WeakPolarHBondContact O-CB 3.24Å; L871-S874 PolarHBondContact O-N 3.13Å; Y872-S874 PolarHBondContact O-N 2.75Å; S874-C876 PolarHBondContact O-N 3.22Å; S874-M877 CarbonylContact O-C 3.54Å; S874-M877 VanDerWaalsContact O-C 3.3Å; S874-M877 WeakPolarHBondContact O-CA 3.31Å; S874-M877 PolarHBondContact O-N 2.81Å; S874-S878 CarbonylContact C-O 3.59Å; S874-S878 WeakPolarHBondContact CB-OG 3.4Å; S874-S878 CarbonylContact O-C 3.55Å; S874-S878 VanDerWaalsContact O-C 3.24Å; S874-S878 WeakPolarHBondContact O-CA 3.43Å; S874-S878 WeakPolarHBondContact O-CB 3.17Å; S874-S878 PolarHBondContact O-N 2.78Å; S874-S878 PolarHBondContact O-OG 3.03Å; S874-S878 WeakPolarHBondContact OG-CB 3.37Å; S874-S878 PolarHBondContact OG-OG 3.3Å
875	L	28.3	Very low	29.8	Very low	52 Å²	52	60.4 Å²	60.4	27%	0.272	36%	0.363	S	S	.	.	H	α-helix	trans	-55.7	-19	177.6	-71.5	163.1	0	0	0	114.1	P836 L871 Y872 S878 I880	P836-L875 HydrophobicContact CB-CD1 4.24Å; P836-L875 HydrophobicContact CG-CD1 4.15Å; L871-L875 WeakPolarHBondContact O-CB 3.38Å; L871-L875 WeakPolarHBondContact O-CD1 3.27Å; L871-L875 WeakPolarHBondContact O-CG 3.36Å; L871-L875 PolarHBondContact O-N 2.8Å; Y872-L875 PolarHBondContact O-N 3.01Å; L875-S878 CarbonylContact C-O 3.53Å; L875-S878 WeakPolarHBondContact CA-O 3.29Å; L875-I880 HydrophobicContact CD2-CD1 4.29Å; L875-I880 HydrophobicContact CD2-CG1 3.45Å; L875-I880 VanDerWaalsContact CD2-CG1 3.45Å
876	C	28.7	Very low	30.4	Very low	3 Å²	3	58.5 Å²	58.5	2%	0.02	35%	0.353	C	S	.	.	H	α-helix	trans	-93	-20.5	169.7	-60.8	0	0	0	0	114.8	Y872 S874 Y893 P900 W902	Y872-C876 VanDerWaalsContact CE1-SG 3.58Å; Y872-C876 WeakPolarHBondContact O-CB 3.36Å; Y872-C876 PolarHBondContact O-N 3.35Å; Y872-C876 PolarHBondContact O-SG 3.38Å; S874-C876 PolarHBondContact O-N 3.22Å; C876-Y893 HydrophobicContact CB-CE2 4.18Å; C876-Y893 WeakPolarHBondContact CB-OH 3.41Å; C876-Y893 WeakPolarHBondContact O-CE2 3.31Å; C876-Y893 PolarHBondContact O-OH 3.41Å; C876-P900 HydrophobicContact CB-CB 4.06Å; C876-P900 HydrophobicContact CB-CG 3.76Å; C876-W902 WeakPolarHBondContact O-CZ2 3.49Å
877	M	25.3	Very low	30.7	Very low	91 Å²	91	57 Å²	57	45%	0.448	35%	0.345	S	S	.	.	H	α-helix	trans	-107.7	-64.1	176.7	-60.1	-96.1	53	0	0	112	S873 S874 T879 Y893 K895	S873-M877 VanDerWaalsContact O-CB 3.24Å; S873-M877 WeakPolarHBondContact O-CB 3.43Å; S873-M877 WeakPolarHBondContact O-CG 3.4Å; S873-M877 PolarHBondContact O-N 3.19Å; S874-M877 CarbonylContact O-C 3.54Å; S874-M877 VanDerWaalsContact O-C 3.3Å; S874-M877 WeakPolarHBondContact O-CA 3.31Å; S874-M877 PolarHBondContact O-N 2.81Å; M877-T879 PolarHBondContact O-N 3.3Å; M877-Y893 HydrophobicContact CE-CD1 3.68Å; M877-Y893 HydrophobicContact CE-CE1 3.25Å; M877-Y893 HydrophobicContact CE-CE2 4.45Å; M877-Y893 HydrophobicContact CE-CG 4.39Å; M877-Y893 HydrophobicContact SD-CE1 3.89Å; M877-K895 VanDerWaalsContact SD-CE 3.59Å
878	S	23.9	Very low	31.2	Very low	45 Å²	45	59.8 Å²	59.8	32%	0.315	36%	0.359	S	S	.	.	S	Bend	trans	-63.1	115	157.8	74.1	0	0	0	0	111	S874 L875 I880	S874-S878 CarbonylContact C-O 3.59Å; S874-S878 WeakPolarHBondContact CB-OG 3.4Å; S874-S878 CarbonylContact O-C 3.55Å; S874-S878 VanDerWaalsContact O-C 3.24Å; S874-S878 WeakPolarHBondContact O-CA 3.43Å; S874-S878 WeakPolarHBondContact O-CB 3.17Å; S874-S878 PolarHBondContact O-N 2.78Å; S874-S878 PolarHBondContact O-OG 3.03Å; S874-S878 WeakPolarHBondContact OG-CB 3.37Å; S874-S878 PolarHBondContact OG-OG 3.3Å; L875-S878 CarbonylContact C-O 3.53Å; L875-S878 WeakPolarHBondContact CA-O 3.29Å; S878-I880 PolarHBondContact O-N 3.05Å
879	T	26.2	Very low	31.9	Very low	54 Å²	54	63.8 Å²	63.8	33%	0.331	38%	0.381	S	S	.	.			trans	-19.1	121.3	132.5	51.4	0	0	0	0	113.2	M877 Y884	M877-T879 PolarHBondContact O-N 3.3Å; T879-Y884 VanDerWaalsContact CG2-O 3.28Å; T879-Y884 WeakPolarHBondContact CG2-O 3.27Å
880	I	25.9	Very low	32.6	Very low	66 Å²	66	61.6 Å²	61.6	34%	0.338	36%	0.364	S	S	.	.			trans	-40.8	148.3	146.7	-66.9	167.6	0	0	0	107.6	L875 S878 V882	L875-I880 HydrophobicContact CD2-CD1 4.29Å; L875-I880 HydrophobicContact CD2-CG1 3.45Å; L875-I880 VanDerWaalsContact CD2-CG1 3.45Å; S878-I880 PolarHBondContact O-N 3.05Å; I880-V882 HydrophobicContact CB-CG2 3.96Å; I880-V882 HydrophobicContact CG2-CG2 4.15Å; I880-V882 CarbonylContact O-C 3.51Å; I880-V882 WeakPolarHBondContact O-CA 3.33Å; I880-V882 WeakPolarHBondContact O-CG2 3.19Å; I880-V882 PolarHBondContact O-N 3.47Å; I880-V882 VanDerWaalsContact O-O 3.05Å
881	P	24.9	Very low	33.2	Very low	112 Å²	112	58.3 Å²	58.3	73%	0.727	34%	0.344	S	S	*	.	S	Bend	trans	-63	22	-178.2	23.4	-34.5	0	0	0	117.3	S883	P881-S883 PolarHBondContact O-N 3.47Å; P881-S883 VanDerWaalsContact O-N 3.12Å
882	V	29.8	Very low	33.8	Very low	55 Å²	55	59.3 Å²	59.3	33%	0.333	35%	0.351	S	S	.	.	S	Bend	trans	-53.1	111.1	140.9	-97.6	0	0	0	0	108.4	I880 Y884	I880-V882 HydrophobicContact CB-CG2 3.96Å; I880-V882 HydrophobicContact CG2-CG2 4.15Å; I880-V882 CarbonylContact O-C 3.51Å; I880-V882 WeakPolarHBondContact O-CA 3.33Å; I880-V882 WeakPolarHBondContact O-CG2 3.19Å; I880-V882 PolarHBondContact O-N 3.47Å; I880-V882 VanDerWaalsContact O-O 3.05Å; V882-Y884 HydrophobicContact CB-CD1 4.03Å; V882-Y884 HydrophobicContact CB-CE1 3.49Å; V882-Y884 VanDerWaalsContact CB-CE1 3.49Å; V882-Y884 HydrophobicContact CG1-CE1 3.68Å; V882-Y884 HydrophobicContact CG2-CE1 4.39Å; V882-Y884 PolarHBondContact O-N 2.89Å
883	S	28	Very low	34.2	Very low	102 Å²	102	60.3 Å²	60.3	71%	0.713	36%	0.355	S	S	*	.	S	Bend	trans	-75.6	36.9	-161	49.3	0	0	0	0	115.6	P881 W944	P881-S883 PolarHBondContact O-N 3.47Å; P881-S883 VanDerWaalsContact O-N 3.12Å; S883-W944 WeakPolarHBondContact O-CH2 3.33Å; S883-W944 WeakPolarHBondContact O-CZ2 3.37Å
884	Y	34	Very low	34.5	Very low	21 Å²	21	60.9 Å²	60.9	8%	0.082	35%	0.352	C	S	.	.			trans	-137.2	103.5	-179	57.8	-88.8	0	0	0	112.6	T879 V882 L886 A940 I941 W944	T879-Y884 VanDerWaalsContact CG2-O 3.28Å; T879-Y884 WeakPolarHBondContact CG2-O 3.27Å; V882-Y884 HydrophobicContact CB-CD1 4.03Å; V882-Y884 HydrophobicContact CB-CE1 3.49Å; V882-Y884 VanDerWaalsContact CB-CE1 3.49Å; V882-Y884 HydrophobicContact CG1-CE1 3.68Å; V882-Y884 HydrophobicContact CG2-CE1 4.39Å; V882-Y884 PolarHBondContact O-N 2.89Å; Y884-L886 HydrophobicContact CD2-CD1 3.63Å; Y884-L886 HydrophobicContact CE2-CD1 3.87Å; Y884-L886 PolarHBondContact O-N 3.31Å; Y884-A940 HydrophobicContact CE2-CB 4.24Å; Y884-I941 HydrophobicContact CE1-CB 4.43Å; Y884-I941 HydrophobicContact CE1-CG1 3.64Å; Y884-I941 HydrophobicContact CE2-CG1 4.21Å; Y884-I941 VanDerWaalsContact CZ-CG1 3.45Å; Y884-I941 VanDerWaalsContact OH-CG1 3.24Å; Y884-I941 WeakPolarHBondContact OH-CG1 3.28Å; Y884-W944 HydrophobicContact CD2-CB 4.38Å; Y884-W944 HydrophobicContact CG-CB 4.33Å; Y884-W944 HydrophobicContact CG-CD2 4.42Å; Y884-W944 HydrophobicContact CG-CG 4.31Å
885	S	37.4	Very low	35.2	Very low	82 Å²	82	65.8 Å²	65.8	57%	0.573	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-72.2	121	155.6	45.6	0	0	0	0	108.7	W944	S885-W944 PolarHBondContact O-NE1 3.44Å
886	L	40.3	Very low	35.9	Very low	13 Å²	13	66.4 Å²	66.4	7%	0.068	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-76.1	132.4	162.8	-71.2	99.2	0	0	0	108	Y884 D888 I890 I914 A940 L943	Y884-L886 HydrophobicContact CD2-CD1 3.63Å; Y884-L886 HydrophobicContact CE2-CD1 3.87Å; Y884-L886 PolarHBondContact O-N 3.31Å; L886-D888 PolarHBondContact O-N 3.12Å; L886-I890 HydrophobicContact CB-CD1 4.49Å; L886-I890 HydrophobicContact CD2-CD1 4.49Å; L886-I890 HydrophobicContact CD2-CG2 3.98Å; L886-I914 HydrophobicContact CD1-CD1 3.85Å; L886-A940 HydrophobicContact CD1-CB 3.76Å; L886-A940 HydrophobicContact CD2-CB 3.92Å; L886-A940 HydrophobicContact CG-CB 4.48Å; L886-L943 HydrophobicContact CD2-CB 4.48Å; L886-L943 HydrophobicContact CD2-CD2 4.26Å
887	P	40.1	Very low	36.4	Very low	34 Å²	34	76.3 Å²	76.3	22%	0.221	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-50.3	137.7	171.5	-29.5	32.1	0	0	0	112.8	N889 I890 Y947	P887-N889 PolarHBondContact O-N 3.1Å; P887-I890 HydrophobicContact CB-CD1 4.14Å; P887-I890 HydrophobicContact CG-CD1 4.11Å; P887-I890 WeakPolarHBondContact O-CB 3.36Å; P887-I890 PolarHBondContact O-N 3.06Å; P887-Y947 HydrophobicContact CG-CE1 4.24Å; P887-Y947 HydrophobicContact CG-CE2 4.25Å
888	D	42.4	Very low	37.3	Very low	145 Å²	145	80.9 Å²	80.9	78%	0.775	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-25.4	-179.3	-54.4	-36.6	0	0	0	113.8	L886 I890	L886-D888 PolarHBondContact O-N 3.12Å; D888-I890 PolarHBondContact O-N 3.42Å
889	N	45.3	Very low	38.1	Very low	139 Å²	139	82 Å²	82	74%	0.743	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.4	177.7	-58.5	-20.6	0	0	0	114.5	P887 P931	P887-N889 PolarHBondContact O-N 3.1Å; N889-P931 HydrophobicContact CB-CB 4.24Å; N889-P931 HydrophobicContact CB-CG 4.47Å
890	I	47	Very low	39.1	Very low	18 Å²	18	80.7 Å²	80.7	9%	0.092	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-41	-173.7	-68.3	154.5	0	0	0	112.1	L886 P887 D888 Y928 P931 L943	L886-I890 HydrophobicContact CB-CD1 4.49Å; L886-I890 HydrophobicContact CD2-CD1 4.49Å; L886-I890 HydrophobicContact CD2-CG2 3.98Å; P887-I890 HydrophobicContact CB-CD1 4.14Å; P887-I890 HydrophobicContact CG-CD1 4.11Å; P887-I890 WeakPolarHBondContact O-CB 3.36Å; P887-I890 PolarHBondContact O-N 3.06Å; D888-I890 PolarHBondContact O-N 3.42Å; I890-Y928 HydrophobicContact CG2-CD1 3.99Å; I890-P931 HydrophobicContact CD1-CG 4.1Å; I890-P931 HydrophobicContact CG1-CG 3.93Å; I890-L943 HydrophobicContact CD1-CD2 3.81Å; I890-L943 HydrophobicContact CD1-CG 4.39Å; I890-L943 HydrophobicContact CG1-CD2 4.09Å; I890-L943 HydrophobicContact CG2-CD2 3.6Å
891	T	45.2	Very low	40.3	Very low	5 Å²	5	78.3 Å²	78.3	3%	0.031	42%	0.424	C	S	.	.	S	Bend	trans	-119.2	113.9	-173.8	40.3	0	0	0	0	109.7	Y893 W902 L917 Y928	T891-Y893 VanDerWaalsContact C-N 3.32Å; T891-Y893 PolarHBondContact O-N 3.46Å; T891-W902 HydrophobicContact CG2-CE3 4.47Å; T891-W902 WeakPolarHBondContact OG1-CZ3 3.47Å; T891-L917 HydrophobicContact CG2-CD2 3.81Å; T891-Y928 HydrophobicContact CG2-CE1 3.97Å
892	V	44.8	Very low	41.8	Very low	68 Å²	68	74.3 Å²	74.3	41%	0.412	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	88.9	-178.8	-179.9	0	0	0	0	109.1	M894 K903	V892-M894 HydrophobicContact CG1-CE 3.83Å; V892-M894 HydrophobicContact CG1-CG 4.4Å; V892-M894 PolarHBondContact O-N 3.26Å; V892-K903 HydrophobicContact CB-CB 4.14Å; V892-K903 HydrophobicContact CG1-CB 4.31Å; V892-K903 HydrophobicContact CG1-CD 4.44Å; V892-K903 WeakPolarHBondContact O-CB 3.4Å; V892-K903 PolarHBondContact O-N 2.86Å
893	Y	40.3	Very low	43	Very low	52 Å²	52	74 Å²	74	20%	0.204	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	120.4	172.4	-178.8	-104.7	0	0	0	110	C876 M877 T891 K895 P900 W902	C876-Y893 HydrophobicContact CB-CE2 4.18Å; C876-Y893 WeakPolarHBondContact CB-OH 3.41Å; C876-Y893 WeakPolarHBondContact O-CE2 3.31Å; C876-Y893 PolarHBondContact O-OH 3.41Å; M877-Y893 HydrophobicContact CE-CD1 3.68Å; M877-Y893 HydrophobicContact CE-CE1 3.25Å; M877-Y893 HydrophobicContact CE-CE2 4.45Å; M877-Y893 HydrophobicContact CE-CG 4.39Å; M877-Y893 HydrophobicContact SD-CE1 3.89Å; T891-Y893 VanDerWaalsContact C-N 3.32Å; T891-Y893 PolarHBondContact O-N 3.46Å; Y893-K895 HydrophobicContact CD1-CG 4.26Å; Y893-K895 HydrophobicContact CE1-CD 4.23Å; Y893-K895 HydrophobicContact CE1-CG 3.55Å; Y893-P900 HydrophobicContact CE2-CB 3.91Å; Y893-P900 WeakPolarHBondContact OH-CB 3Å; Y893-W902 AromaticContact CD2-CD2 3.91Å; Y893-W902 HydrophobicContact CD2-CD2 3.91Å; Y893-W902 AromaticContact CD2-CE2 3.84Å; Y893-W902 AromaticContact CD2-CE3 3.99Å; Y893-W902 HydrophobicContact CD2-CE3 3.99Å; Y893-W902 HydrophobicContact CD2-CH2 4.05Å; Y893-W902 AromaticContact CD2-CZ2 3.94Å; Y893-W902 HydrophobicContact CD2-CZ2 3.94Å; Y893-W902 HydrophobicContact CD2-CZ3 4.07Å; Y893-W902 HydrophobicContact CE2-CZ2 4.32Å; Y893-W902 HydrophobicContact CG-CZ3 4.35Å
894	M	38.4	Very low	44.8	Very low	76 Å²	76	69.2 Å²	69.2	37%	0.374	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.7	177.3	-74.5	-75.6	-179.5	0	0	109.5	V892 P896 P900 C901 K903	V892-M894 HydrophobicContact CG1-CE 3.83Å; V892-M894 HydrophobicContact CG1-CG 4.4Å; V892-M894 PolarHBondContact O-N 3.26Å; M894-P896 WeakPolarHBondContact O-CD 3.41Å; M894-P900 WeakPolarHBondContact O-CA 3.04Å; M894-C901 PolarHBondContact N-O 3.18Å; M894-C901 PolarHBondContact O-N 2.91Å; M894-K903 HydrophobicContact CE-CD 4.24Å; M894-K903 HydrophobicContact CG-CB 4.4Å
895	K	41.8	Very low	46.3	Very low	149 Å²	149	71.8 Å²	71.8	65%	0.648	38%	0.377	S	S	*	.			trans	-101.6	83.4	160.3	-63.9	-171.3	-177.9	-174.7	0	108.8	M877 Y893	M877-K895 VanDerWaalsContact SD-CE 3.59Å; Y893-K895 HydrophobicContact CD1-CG 4.26Å; Y893-K895 HydrophobicContact CE1-CD 4.23Å; Y893-K895 HydrophobicContact CE1-CG 3.55Å
896	P	43.7	Very low	47.4	Very low	64 Å²	64	71.9 Å²	71.9	42%	0.416	37%	0.373	S	S	.	.			trans	-67.8	165.8	156.6	35.9	-34.9	0	0	0	108.6	M894 E898 I899	M894-P896 WeakPolarHBondContact O-CD 3.41Å; P896-E898 PolarHBondContact O-N 2.95Å; P896-I899 VanDerWaalsContact CD-O 3.32Å; P896-I899 WeakPolarHBondContact CD-O 3.21Å; P896-I899 WeakPolarHBondContact CG-O 3.37Å
897	E	39.8	Very low	48.6	Very low	212 Å²	212	73.9 Å²	73.9	99%	0.991	39%	0.388	S	S	*	.	S	Bend	trans	-69.1	-18.7	-168.9	-62.5	-179	134.8	0	0	114.1
898	E	44.1	Very low	49.7	Very low	186 Å²	186	75.2 Å²	75.2	87%	0.869	40%	0.398	S	S	*	.	S	Bend	trans	-98.7	-52.8	-176.5	-60.3	-176.7	146.8	0	0	114.5	P896	P896-E898 PolarHBondContact O-N 2.95Å
899	I	40.5	Very low	50.5	Low	70 Å²	70	69.7 Å²	69.7	36%	0.359	37%	0.369	S	S	.	.			trans	-142.5	120.9	-174.6	-50.8	-179.9	0	0	0	111.1	P896	P896-I899 VanDerWaalsContact CD-O 3.32Å; P896-I899 WeakPolarHBondContact CD-O 3.21Å; P896-I899 WeakPolarHBondContact CG-O 3.37Å
900	P	46.9	Very low	51	Low	26 Å²	26	66.7 Å²	66.7	17%	0.169	35%	0.351	C	S	.	.			trans	-60.7	138.1	173.2	25.6	-34.4	0	0	0	111.9	Y872 C876 Y893 M894	Y872-P900 HydrophobicContact CE1-CG 4.16Å; C876-P900 HydrophobicContact CB-CB 4.06Å; C876-P900 HydrophobicContact CB-CG 3.76Å; Y893-P900 HydrophobicContact CE2-CB 3.91Å; Y893-P900 WeakPolarHBondContact OH-CB 3Å; M894-P900 WeakPolarHBondContact O-CA 3.04Å
901	C	50.6	Low	51.6	Low	16 Å²	16	65.9 Å²	65.9	11%	0.108	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	144.8	-176.1	55.3	0	0	0	0	114	M894 H910 F911	M894-C901 PolarHBondContact N-O 3.18Å; M894-C901 PolarHBondContact O-N 2.91Å; C901-H910 HydrophobicContact CB-CB 4.16Å; C901-F911 CarbonylContact C-O 3.57Å; C901-F911 WeakPolarHBondContact CA-O 3.43Å; C901-F911 WeakPolarHBondContact CB-O 3.31Å
902	W	57.5	Low	51.9	Low	27 Å²	27	67 Å²	67	10%	0.102	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	117.9	176	-63.2	94.6	0	0	0	110.2	C876 T891 Y893 H910 F911 T913 I914 L917	C876-W902 WeakPolarHBondContact O-CZ2 3.49Å; T891-W902 HydrophobicContact CG2-CE3 4.47Å; T891-W902 WeakPolarHBondContact OG1-CZ3 3.47Å; Y893-W902 AromaticContact CD2-CD2 3.91Å; Y893-W902 HydrophobicContact CD2-CD2 3.91Å; Y893-W902 AromaticContact CD2-CE2 3.84Å; Y893-W902 AromaticContact CD2-CE3 3.99Å; Y893-W902 HydrophobicContact CD2-CE3 3.99Å; Y893-W902 HydrophobicContact CD2-CH2 4.05Å; Y893-W902 AromaticContact CD2-CZ2 3.94Å; Y893-W902 HydrophobicContact CD2-CZ2 3.94Å; Y893-W902 HydrophobicContact CD2-CZ3 4.07Å; Y893-W902 HydrophobicContact CE2-CZ2 4.32Å; Y893-W902 HydrophobicContact CG-CZ3 4.35Å; W902-H910 CarbonylContact O-C 3.57Å; W902-H910 WeakPolarHBondContact O-CA 3.27Å; W902-F911 PolarHBondContact N-O 3.11Å; W902-F911 PolarHBondContact O-N 2.94Å; W902-T913 VanDerWaalsContact CD1-C 3.46Å; W902-I914 HydrophobicContact CD2-CB 4.43Å; W902-I914 HydrophobicContact CH2-CD1 4.42Å; W902-I914 HydrophobicContact CZ2-CD1 4.47Å; W902-L917 HydrophobicContact CB-CB 4.38Å; W902-L917 HydrophobicContact CB-CD2 4.09Å
903	K	54.8	Low	52.3	Low	49 Å²	49	65.4 Å²	65.4	21%	0.213	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130	179.3	-170.6	179.5	-174.4	168.8	0	112	V892 M894 S905 S908 T909 H910	V892-K903 HydrophobicContact CB-CB 4.14Å; V892-K903 HydrophobicContact CG1-CB 4.31Å; V892-K903 HydrophobicContact CG1-CD 4.44Å; V892-K903 WeakPolarHBondContact O-CB 3.4Å; V892-K903 PolarHBondContact O-N 2.86Å; M894-K903 HydrophobicContact CE-CD 4.24Å; M894-K903 HydrophobicContact CG-CB 4.4Å; K903-S905 PolarHBondContact O-N 3.37Å; K903-S908 VanDerWaalsContact CE-CA 3.49Å; K903-S908 WeakPolarHBondContact CE-OG 3.36Å; K903-T909 CarbonylContact C-O 3.6Å; K903-T909 VanDerWaalsContact CA-O 3.3Å; K903-T909 WeakPolarHBondContact CA-O 3.27Å; K903-H910 WeakPolarHBondContact CD-NE2 3.32Å
904	C	65.8	Low	53.2	Low	2 Å²	2	64 Å²	64	1%	0.014	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-63.4	127.5	168.9	172.6	0	0	0	0	111.1	V906 C907 S908 T909 F911 L917 M921	C904-V906 VanDerWaalsContact C-N 3.32Å; C904-V906 PolarHBondContact O-N 3.21Å; C904-V906 PolarHBondContact SG-N 2.99Å; C904-C907 PolarHBondContact SG-N 3.22Å; C904-C907 PolarHBondContact SG-SG 3.49Å; C904-S908 VanDerWaalsContact O-CA 3.28Å; C904-S908 WeakPolarHBondContact O-CA 3.49Å; C904-S908 PolarHBondContact O-N 3.45Å; C904-S908 VanDerWaalsContact O-N 3.11Å; C904-T909 WeakPolarHBondContact CB-OG1 3.49Å; C904-T909 PolarHBondContact N-O 3.28Å; C904-F911 HydrophobicContact CB-CE2 4.29Å; C904-L917 HydrophobicContact CB-CD1 4.04Å; C904-M921 HydrophobicContact CB-CE 4.02Å; C904-M921 WeakPolarHBondContact SG-CE 3.33Å
905	S	65.5	Low	53.9	Low	75 Å²	75	63.7 Å²	63.7	52%	0.524	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-28.6	177.4	52	0	0	0	0	113.7	K903	K903-S905 PolarHBondContact O-N 3.37Å
906	V	61.4	Low	54.8	Low	83 Å²	83	57.9 Å²	57.9	50%	0.503	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-61.4	-176.3	-173.7	0	0	0	0	111.9	C904 H926	C904-V906 VanDerWaalsContact C-N 3.32Å; C904-V906 PolarHBondContact O-N 3.21Å; C904-V906 PolarHBondContact SG-N 2.99Å; V906-H926 HydrophobicContact CG2-CB 4.21Å
907	C	64.8	Low	55.8	Low	56 Å²	56	55 Å²	55	38%	0.378	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	5.3	-172.6	67.1	0	0	0	0	114.8	C904 T909 H920 H926	C904-C907 PolarHBondContact SG-N 3.22Å; C904-C907 PolarHBondContact SG-SG 3.49Å; C907-T909 PolarHBondContact O-N 2.93Å; C907-T909 VanDerWaalsContact O-N 3.09Å; C907-T909 PolarHBondContact SG-OG1 3.47Å; C907-H920 PolarHBondContact SG-NE2 3.32Å; C907-H926 PolarHBondContact SG-CE1 2.91Å
908	S	63.4	Low	57	Low	61 Å²	61	45.9 Å²	45.9	43%	0.427	25%	0.252	S	S	.	.			trans	59.7	16.4	176.9	-73	0	0	0	0	116.5	K903 C904 H910	K903-S908 VanDerWaalsContact CE-CA 3.49Å; K903-S908 WeakPolarHBondContact CE-OG 3.36Å; C904-S908 VanDerWaalsContact O-CA 3.28Å; C904-S908 WeakPolarHBondContact O-CA 3.49Å; C904-S908 PolarHBondContact O-N 3.45Å; C904-S908 VanDerWaalsContact O-N 3.11Å; S908-H910 PolarHBondContact O-CE1 3.11Å; S908-H910 PolarHBondContact O-ND1 2.84Å
909	T	58	Low	57.9	Low	29 Å²	29	40.3 Å²	40.3	18%	0.178	23%	0.228	C	C	.	.			trans	-64.5	151.8	167.1	47.8	0	0	0	0	111.2	P752 K903 C904 C907 F911 H920	P752-T909 HydrophobicContact CG-CG2 3.75Å; K903-T909 CarbonylContact C-O 3.6Å; K903-T909 VanDerWaalsContact CA-O 3.3Å; K903-T909 WeakPolarHBondContact CA-O 3.27Å; C904-T909 WeakPolarHBondContact CB-OG1 3.49Å; C904-T909 PolarHBondContact N-O 3.28Å; C907-T909 PolarHBondContact O-N 2.93Å; C907-T909 VanDerWaalsContact O-N 3.09Å; C907-T909 PolarHBondContact SG-OG1 3.47Å; T909-F911 VanDerWaalsContact CB-CZ 3.48Å; T909-F911 HydrophobicContact CG2-CZ 4.37Å; T909-F911 WeakPolarHBondContact OG1-CE2 3.39Å; T909-F911 VanDerWaalsContact OG1-CZ 3.24Å; T909-F911 WeakPolarHBondContact OG1-CZ 3.29Å; T909-H920 PolarHBondContact OG1-NE2 3.01Å
910	H	57	Low	59.2	Low	77 Å²	77	37.1 Å²	37.1	36%	0.356	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.2	-179.4	-56.4	87.9	0	0	0	109.2	C901 W902 K903 S908	C901-H910 HydrophobicContact CB-CB 4.16Å; W902-H910 CarbonylContact O-C 3.57Å; W902-H910 WeakPolarHBondContact O-CA 3.27Å; K903-H910 WeakPolarHBondContact CD-NE2 3.32Å; S908-H910 PolarHBondContact O-CE1 3.11Å; S908-H910 PolarHBondContact O-ND1 2.84Å
911	F	58.9	Low	60.2	Low	1 Å²	1	36 Å²	36	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	145	-178	-56.4	-69.7	0	0	0	111.8	C901 W902 C904 T909 T913 H916 L917 H920	C901-F911 CarbonylContact C-O 3.57Å; C901-F911 WeakPolarHBondContact CA-O 3.43Å; C901-F911 WeakPolarHBondContact CB-O 3.31Å; W902-F911 PolarHBondContact N-O 3.11Å; W902-F911 PolarHBondContact O-N 2.94Å; C904-F911 HydrophobicContact CB-CE2 4.29Å; T909-F911 VanDerWaalsContact CB-CZ 3.48Å; T909-F911 HydrophobicContact CG2-CZ 4.37Å; T909-F911 WeakPolarHBondContact OG1-CE2 3.39Å; T909-F911 VanDerWaalsContact OG1-CZ 3.24Å; T909-F911 WeakPolarHBondContact OG1-CZ 3.29Å; F911-T913 PolarHBondContact O-N 3.14Å; F911-H916 HydrophobicContact CB-CB 3.99Å; F911-H916 HydrophobicContact CD1-CB 4.4Å; F911-H916 HydrophobicContact CG-CB 4.41Å; F911-L917 HydrophobicContact CB-CB 4.47Å; F911-L917 HydrophobicContact CD2-CB 3.99Å; F911-L917 HydrophobicContact CD2-CD1 3.7Å; F911-L917 HydrophobicContact CD2-CG 4.44Å; F911-L917 HydrophobicContact CE2-CD1 3.87Å; F911-H920 HydrophobicContact CE1-CB 4.17Å; F911-H920 HydrophobicContact CE2-CB 3.91Å; F911-H920 AromaticContact CE2-CD2 3.31Å; F911-H920 WeakPolarHBondContact CE2-CD2 3.44Å; F911-H920 AromaticContact CE2-CG 3.69Å; F911-H920 HydrophobicContact CZ-CB 3.65Å; F911-H920 AromaticContact CZ-CD2 3.29Å; F911-H920 WeakPolarHBondContact CZ-CD2 3.43Å; F911-H920 AromaticContact CZ-CG 3.3Å; F911-H920 AromaticContact CZ-ND1 3.92Å; F911-H920 AromaticContact CZ-NE2 3.92Å
912	I	52.3	Low	60.7	Low	27 Å²	27	37 Å²	37	14%	0.138	21%	0.214	C	C	.	.	S	Bend	trans	-70.8	-32.3	-174.9	-52.5	179.8	0	0	0	111.7	L755 T786 L789 Y872	L755-I912 HydrophobicContact CD2-CD1 4.41Å; T786-I912 HydrophobicContact CG2-CD1 4.21Å; L789-I912 HydrophobicContact CD2-CG2 3.78Å; Y872-I912 WeakPolarHBondContact OH-CG2 3.42Å
913	T	52.3	Low	61.1	Low	35 Å²	35	39.6 Å²	39.6	22%	0.215	23%	0.227	C	C	.	.	S	Bend	trans	-130.3	156.4	-178.6	74	0	0	0	0	111.8	L789 W902 F911 N915 H916 L917	L789-T913 HydrophobicContact CD2-CG2 4.23Å; W902-T913 VanDerWaalsContact CD1-C 3.46Å; F911-T913 PolarHBondContact O-N 3.14Å; T913-N915 PolarHBondContact O-N 3.16Å; T913-H916 PolarHBondContact O-N 3.42Å; T913-H916 PolarHBondContact OG1-N 2.87Å; T913-H916 PolarHBondContact OG1-ND1 2.82Å; T913-L917 PolarHBondContact O-N 3.14Å; T913-L917 VanDerWaalsContact O-N 3.15Å
914	I	58.6	Low	61.3	Low	24 Å²	24	38.2 Å²	38.2	12%	0.123	23%	0.225	C	C	.	.	H	α-helix	trans	-65.9	-26	176.1	-158.7	165.2	0	0	0	112.2	L886 W902 L917 D918	L886-I914 HydrophobicContact CD1-CD1 3.85Å; W902-I914 HydrophobicContact CD2-CB 4.43Å; W902-I914 HydrophobicContact CH2-CD1 4.42Å; W902-I914 HydrophobicContact CZ2-CD1 4.47Å; I914-L917 PolarHBondContact O-N 3.1Å; I914-D918 WeakPolarHBondContact O-CB 3.32Å; I914-D918 PolarHBondContact O-N 3.39Å
915	N	54.9	Low	61.2	Low	68 Å²	68	41.9 Å²	41.9	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-67.7	-39.3	173.1	-69.1	-7.4	0	0	0	111.9	T913 L917 D918 L919	T913-N915 PolarHBondContact O-N 3.16Å; N915-L917 VanDerWaalsContact C-N 3.33Å; N915-D918 PolarHBondContact O-N 3.07Å; N915-L919 VanDerWaalsContact O-CB 3.31Å; N915-L919 WeakPolarHBondContact O-CB 3.42Å; N915-L919 PolarHBondContact O-N 2.86Å
916	H	60.8	Low	61.7	Low	27 Å²	27	40.2 Å²	40.2	13%	0.125	24%	0.235	C	C	.	.	H	α-helix	trans	-68	-33.7	173.6	-66.4	153	0	0	0	111.8	L755 C756 F911 T913 H920	L755-H916 PolarHBondContact O-ND1 2.99Å; C756-H916 PolarHBondContact O-CD2 3.32Å; C756-H916 VanDerWaalsContact O-CD2 3.29Å; F911-H916 HydrophobicContact CB-CB 3.99Å; F911-H916 HydrophobicContact CD1-CB 4.4Å; F911-H916 HydrophobicContact CG-CB 4.41Å; T913-H916 PolarHBondContact O-N 3.42Å; T913-H916 PolarHBondContact OG1-N 2.87Å; T913-H916 PolarHBondContact OG1-ND1 2.82Å; H916-H920 VanDerWaalsContact O-CB 3.28Å; H916-H920 WeakPolarHBondContact O-CB 3.38Å; H916-H920 PolarHBondContact O-N 3.04Å
917	L	63.5	Low	62.3	Low	3 Å²	3	37.7 Å²	37.7	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-66.6	-47	170.1	177.9	64.8	0	0	0	112	T891 W902 C904 F911 T913 I914 N915 L919 H920 M921 Y928	T891-L917 HydrophobicContact CG2-CD2 3.81Å; W902-L917 HydrophobicContact CB-CB 4.38Å; W902-L917 HydrophobicContact CB-CD2 4.09Å; C904-L917 HydrophobicContact CB-CD1 4.04Å; F911-L917 HydrophobicContact CB-CB 4.47Å; F911-L917 HydrophobicContact CD2-CB 3.99Å; F911-L917 HydrophobicContact CD2-CD1 3.7Å; F911-L917 HydrophobicContact CD2-CG 4.44Å; F911-L917 HydrophobicContact CE2-CD1 3.87Å; T913-L917 PolarHBondContact O-N 3.14Å; T913-L917 VanDerWaalsContact O-N 3.15Å; I914-L917 PolarHBondContact O-N 3.1Å; N915-L917 VanDerWaalsContact C-N 3.33Å; L917-L919 PolarHBondContact O-N 3.02Å; L917-H920 CarbonylContact O-C 3.38Å; L917-H920 WeakPolarHBondContact O-CB 3.44Å; L917-H920 PolarHBondContact O-N 3.36Å; L917-H920 VanDerWaalsContact O-N 3.16Å; L917-M921 HydrophobicContact CD1-CE 3.88Å; L917-M921 HydrophobicContact CD1-CG 4.31Å; L917-M921 HydrophobicContact CD1-SD 4.49Å; L917-M921 HydrophobicContact CG-CG 4.43Å; L917-M921 WeakPolarHBondContact O-CG 3.32Å; L917-M921 PolarHBondContact O-N 2.93Å; L917-Y928 HydrophobicContact CD2-CE1 4.3Å
918	D	64.7	Low	62.6	Low	21 Å²	21	35.3 Å²	35.3	11%	0.112	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-40.4	-179.4	-164.1	63.4	0	0	0	111.6	I914 N915 M921 A922 Y928 R939 A940	I914-D918 WeakPolarHBondContact O-CB 3.32Å; I914-D918 PolarHBondContact O-N 3.39Å; N915-D918 PolarHBondContact O-N 3.07Å; D918-M921 PolarHBondContact O-N 3.43Å; D918-A922 PolarHBondContact O-N 2.84Å; D918-Y928 WeakPolarHBondContact CA-OH 3.23Å; D918-Y928 PolarHBondContact N-OH 2.88Å; D918-Y928 WeakPolarHBondContact OD1-CE2 3.31Å; D918-R939 VanDerWaalsContact OD1-CA 3.24Å; D918-R939 WeakPolarHBondContact OD1-CA 3.46Å; D918-A940 WeakPolarHBondContact OD1-CB 3.34Å; D918-A940 PolarHBondContact OD1-N 3.29Å
919	L	62.8	Low	62.9	Low	69 Å²	69	39.3 Å²	39.3	36%	0.361	21%	0.206	S	C	.	.	H	α-helix	trans	-61.5	-45.1	171.3	-177.4	63.6	0	0	0	111.3	N915 L917 A922 Q923	N915-L919 VanDerWaalsContact O-CB 3.31Å; N915-L919 WeakPolarHBondContact O-CB 3.42Å; N915-L919 PolarHBondContact O-N 2.86Å; L917-L919 PolarHBondContact O-N 3.02Å; L919-A922 PolarHBondContact O-N 3.02Å; L919-Q923 HydrophobicContact CD1-CG 4.1Å; L919-Q923 HydrophobicContact CG-CG 4.39Å; L919-Q923 WeakPolarHBondContact O-CB 3.49Å; L919-Q923 WeakPolarHBondContact O-CG 3.32Å; L919-Q923 PolarHBondContact O-N 2.95Å
920	H	67.9	Low	63.6	Low	3 Å²	3	38.5 Å²	38.5	1%	0.014	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-38.1	176.1	173.7	59.3	0	0	0	112.5	C907 T909 F911 H916 L917 A924 H926	C907-H920 PolarHBondContact SG-NE2 3.32Å; T909-H920 PolarHBondContact OG1-NE2 3.01Å; F911-H920 HydrophobicContact CE1-CB 4.17Å; F911-H920 HydrophobicContact CE2-CB 3.91Å; F911-H920 AromaticContact CE2-CD2 3.31Å; F911-H920 WeakPolarHBondContact CE2-CD2 3.44Å; F911-H920 AromaticContact CE2-CG 3.69Å; F911-H920 HydrophobicContact CZ-CB 3.65Å; F911-H920 AromaticContact CZ-CD2 3.29Å; F911-H920 WeakPolarHBondContact CZ-CD2 3.43Å; F911-H920 AromaticContact CZ-CG 3.3Å; F911-H920 AromaticContact CZ-ND1 3.92Å; F911-H920 AromaticContact CZ-NE2 3.92Å; H916-H920 VanDerWaalsContact O-CB 3.28Å; H916-H920 WeakPolarHBondContact O-CB 3.38Å; H916-H920 PolarHBondContact O-N 3.04Å; L917-H920 CarbonylContact O-C 3.38Å; L917-H920 WeakPolarHBondContact O-CB 3.44Å; L917-H920 PolarHBondContact O-N 3.36Å; L917-H920 VanDerWaalsContact O-N 3.16Å; H920-A924 WeakPolarHBondContact O-CB 3.43Å; H920-A924 PolarHBondContact O-N 3.1Å; H920-H926 AromaticContact CE1-ND1 3.98Å; H920-H926 AromaticContact NE2-CE1 3.75Å; H920-H926 AromaticContact NE2-ND1 3.47Å; H920-H926 PolarHBondContact NE2-ND1 3.01Å
921	M	68.5	Low	64	Low	2 Å²	2	37.8 Å²	37.8	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-52.3	175.9	-68.9	-63.4	91.9	0	0	110.8	C904 L917 D918 Q923 A924 S925 H926 Y928 E938	C904-M921 HydrophobicContact CB-CE 4.02Å; C904-M921 WeakPolarHBondContact SG-CE 3.33Å; L917-M921 HydrophobicContact CD1-CE 3.88Å; L917-M921 HydrophobicContact CD1-CG 4.31Å; L917-M921 HydrophobicContact CD1-SD 4.49Å; L917-M921 HydrophobicContact CG-CG 4.43Å; L917-M921 WeakPolarHBondContact O-CG 3.32Å; L917-M921 PolarHBondContact O-N 2.93Å; D918-M921 PolarHBondContact O-N 3.43Å; M921-Q923 PolarHBondContact O-N 2.88Å; M921-A924 PolarHBondContact O-N 3.1Å; M921-S925 PolarHBondContact O-N 3Å; M921-H926 HydrophobicContact CE-CB 3.57Å; M921-H926 PolarHBondContact O-N 2.99Å; M921-H926 HydrophobicContact SD-CB 3.46Å; M921-H926 WeakPolarHBondContact SD-CB 3.48Å; M921-Y928 HydrophobicContact CB-CD2 4.43Å; M921-Y928 HydrophobicContact CB-CE2 3.84Å; M921-Y928 HydrophobicContact CG-CD2 4.14Å; M921-Y928 HydrophobicContact CG-CE1 4.23Å; M921-Y928 HydrophobicContact CG-CE2 3.51Å; M921-E938 WeakPolarHBondContact CB-O 3.45Å
922	A	61.6	Low	64.6	Low	38 Å²	38	41.9 Å²	41.9	31%	0.314	23%	0.229	S	C	.	.	H	α-helix	trans	-62	-42.1	178.2	0	0	0	0	0	113.1	D918 L919	D918-A922 PolarHBondContact O-N 2.84Å; L919-A922 PolarHBondContact O-N 3.02Å
923	Q	65	Low	65.5	Low	82 Å²	82	42.4 Å²	42.4	38%	0.383	23%	0.234	S	C	.	.	H	α-helix	trans	-72.7	-36.5	-179.4	-73.8	-171.4	-11.3	0	0	113.3	L759 L919 M921 S925	L759-Q923 VanDerWaalsContact CD1-C 3.49Å; L759-Q923 HydrophobicContact CD1-CB 3.73Å; L759-Q923 WeakPolarHBondContact CD1-O 3.49Å; L759-Q923 HydrophobicContact CG-CB 4.23Å; L919-Q923 HydrophobicContact CD1-CG 4.1Å; L919-Q923 HydrophobicContact CG-CG 4.39Å; L919-Q923 WeakPolarHBondContact O-CB 3.49Å; L919-Q923 WeakPolarHBondContact O-CG 3.32Å; L919-Q923 PolarHBondContact O-N 2.95Å; M921-Q923 PolarHBondContact O-N 2.88Å; Q923-S925 VanDerWaalsContact C-N 3.32Å
924	A	60	Low	66.7	Low	20 Å²	20	46.5 Å²	46.5	17%	0.165	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	8.9	-178.2	0	0	0	0	0	113.8	L759 H920 M921 H926	L759-A924 HydrophobicContact CD1-CB 4.05Å; H920-A924 WeakPolarHBondContact O-CB 3.43Å; H920-A924 PolarHBondContact O-N 3.1Å; M921-A924 PolarHBondContact O-N 3.1Å; A924-H926 WeakPolarHBondContact CB-ND1 3.17Å; A924-H926 PolarHBondContact O-N 3.38Å; A924-H926 VanDerWaalsContact O-N 3.07Å
925	S	63.1	Low	67.4	Low	79 Å²	79	49.5 Å²	49.5	55%	0.552	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	26.2	-171.1	64	0	0	0	0	115	M921 Q923	M921-S925 PolarHBondContact O-N 3Å; Q923-S925 VanDerWaalsContact C-N 3.32Å
926	H	76.7	Confident	68.2	Low	40 Å²	40	47.7 Å²	47.7	19%	0.185	27%	0.266	C	S	.	.			trans	-78.3	148.8	172.2	-63	146.9	0	0	0	110.3	V906 C907 H920 M921 A924	V906-H926 HydrophobicContact CG2-CB 4.21Å; C907-H926 PolarHBondContact SG-CE1 2.91Å; H920-H926 AromaticContact CE1-ND1 3.98Å; H920-H926 AromaticContact NE2-CE1 3.75Å; H920-H926 AromaticContact NE2-ND1 3.47Å; H920-H926 PolarHBondContact NE2-ND1 3.01Å; M921-H926 HydrophobicContact CE-CB 3.57Å; M921-H926 PolarHBondContact O-N 2.99Å; M921-H926 HydrophobicContact SD-CB 3.46Å; M921-H926 WeakPolarHBondContact SD-CB 3.48Å; A924-H926 WeakPolarHBondContact CB-ND1 3.17Å; A924-H926 PolarHBondContact O-N 3.38Å; A924-H926 VanDerWaalsContact O-N 3.07Å
927	Q	74.3	Confident	68.8	Low	30 Å²	30	47.1 Å²	47.1	14%	0.14	27%	0.265	C	S	.	.			trans	-120.2	135.7	-176.2	-66.7	170.5	6.5	0	0	111	T208 A936 E938	T208-Q927 PolarHBondContact OG1-NE2 3.07Å; Q927-A936 HydrophobicContact CB-CB 4.28Å; Q927-E938 HydrophobicContact CG-CG 4.24Å
928	Y	70.4	Confident	68.9	Low	5 Å²	5	51.8 Å²	51.8	2%	0.02	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	143.7	161.6	-60.7	-88.8	0	0	0	109.5	I890 T891 L917 D918 M921 A936 C937 A940 L943	I890-Y928 HydrophobicContact CG2-CD1 3.99Å; T891-Y928 HydrophobicContact CG2-CE1 3.97Å; L917-Y928 HydrophobicContact CD2-CE1 4.3Å; D918-Y928 WeakPolarHBondContact CA-OH 3.23Å; D918-Y928 PolarHBondContact N-OH 2.88Å; D918-Y928 WeakPolarHBondContact OD1-CE2 3.31Å; M921-Y928 HydrophobicContact CB-CD2 4.43Å; M921-Y928 HydrophobicContact CB-CE2 3.84Å; M921-Y928 HydrophobicContact CG-CD2 4.14Å; M921-Y928 HydrophobicContact CG-CE1 4.23Å; M921-Y928 HydrophobicContact CG-CE2 3.51Å; Y928-A936 CarbonylContact O-C 3.55Å; Y928-A936 VanDerWaalsContact O-CA 3.26Å; Y928-A936 WeakPolarHBondContact O-CA 3.45Å; Y928-C937 PolarHBondContact N-O 3.23Å; Y928-C937 PolarHBondContact O-N 3.46Å; Y928-A940 HydrophobicContact CD2-CB 4.5Å; Y928-A940 HydrophobicContact CE1-CB 4.28Å; Y928-A940 HydrophobicContact CE2-CB 3.86Å; Y928-A940 VanDerWaalsContact CE2-N 3.25Å; Y928-L943 HydrophobicContact CG-CD2 4.49Å
929	W	69.4	Low	68.9	Low	146 Å²	146	57.3 Å²	57.3	55%	0.553	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	143	178.4	-69.2	77.8	0	0	0	110.6	A936 L943	W929-A936 HydrophobicContact CD2-CB 3.79Å; W929-A936 HydrophobicContact CE3-CB 3.84Å; W929-A936 HydrophobicContact CG-CB 4.42Å; W929-A936 HydrophobicContact CH2-CB 3.96Å; W929-A936 HydrophobicContact CZ2-CB 3.91Å; W929-A936 HydrophobicContact CZ3-CB 3.92Å; W929-L943 WeakPolarHBondContact O-CD2 3.45Å
930	C	73.7	Confident	69	Low	12 Å²	12	54.1 Å²	54.1	8%	0.081	29%	0.289	C	S	.	.			trans	-73.1	132.3	173.4	-175.4	0	0	0	0	110.9	V932 C933 Y935 L943 H946 H951	C930-V932 PolarHBondContact O-N 3.06Å; C930-C933 WeakPolarHBondContact CB-O 3.44Å; C930-Y935 PolarHBondContact N-O 2.81Å; C930-L943 HydrophobicContact CB-CD1 3.65Å; C930-H946 WeakPolarHBondContact CB-NE2 3.23Å; C930-H946 PolarHBondContact SG-NE2 2.92Å; C930-H951 PolarHBondContact SG-NE2 3.44Å; C930-H951 VanDerWaalsContact SG-NE2 3.4Å
931	P	64	Low	68.8	Low	62 Å²	62	56.4 Å²	56.4	40%	0.403	30%	0.301	S	S	.	.	S	Bend	trans	-74.6	-8.5	-179	29.1	-33.4	0	0	0	113.2	N889 I890 Y947	N889-P931 HydrophobicContact CB-CB 4.24Å; N889-P931 HydrophobicContact CB-CG 4.47Å; I890-P931 HydrophobicContact CD1-CG 4.1Å; I890-P931 HydrophobicContact CG1-CG 3.93Å; P931-Y947 HydrophobicContact CG-CE2 4.36Å
932	V	71.6	Confident	68.8	Low	87 Å²	87	58.6 Å²	58.6	53%	0.527	32%	0.316	S	S	.	.	S	Bend	trans	-112.7	-21.5	-174.8	-173.2	0	0	0	0	112.9	C930 Y947 H951	C930-V932 PolarHBondContact O-N 3.06Å; V932-Y947 HydrophobicContact CG2-CE2 3.94Å; V932-H951 WeakPolarHBondContact CG1-ND1 3.38Å
933	C	72.7	Confident	69.2	Low	38 Å²	38	56.8 Å²	56.8	26%	0.257	30%	0.301	S	S	.	.	S	Bend	trans	-153.7	166.8	178.3	82.6	0	0	0	0	112.1	C930 Y935 H946 H951	C930-C933 WeakPolarHBondContact CB-O 3.44Å; C933-Y935 PolarHBondContact O-N 3.33Å; C933-H946 PolarHBondContact SG-CE1 2.99Å; C933-H946 PolarHBondContact SG-NE2 3.21Å; C933-H951 PolarHBondContact SG-NE2 3.3Å
934	P	76.7	Confident	69.1	Low	120 Å²	120	56.1 Å²	56.1	78%	0.779	30%	0.295	S	S	*	.	S	Bend	trans	-78.4	35.1	-171.5	34.8	-37.6	0	0	0	114.2
935	Y	73	Confident	69.4	Low	88 Å²	88	61.3 Å²	61.3	35%	0.345	31%	0.314	S	S	.	.			trans	-83.3	133.9	173.2	179.8	-96.8	0	0	0	110.8	C930 C933 C937 L943 H946	C930-Y935 PolarHBondContact N-O 2.81Å; C933-Y935 PolarHBondContact O-N 3.33Å; Y935-C937 HydrophobicContact CE1-CB 3.85Å; Y935-L943 HydrophobicContact CD1-CD1 4.09Å; Y935-L943 HydrophobicContact CE1-CD1 4.5Å; Y935-H946 WeakPolarHBondContact CB-CE1 3.35Å; Y935-H946 WeakPolarHBondContact CB-NE2 3.5Å; Y935-H946 HydrophobicContact CD1-CB 3.68Å; Y935-H946 AromaticContact CD1-CD2 3.48Å; Y935-H946 VanDerWaalsContact CD1-CD2 3.48Å; Y935-H946 WeakPolarHBondContact CD1-CD2 3.33Å; Y935-H946 AromaticContact CD1-CE1 3.94Å; Y935-H946 AromaticContact CD1-CG 3.25Å; Y935-H946 AromaticContact CD1-ND1 3.56Å; Y935-H946 AromaticContact CD1-NE2 3.92Å; Y935-H946 AromaticContact CD2-ND1 3.64Å; Y935-H946 HydrophobicContact CE1-CB 3.42Å; Y935-H946 VanDerWaalsContact CE1-CB 3.42Å; Y935-H946 AromaticContact CE1-CG 3.57Å; Y935-H946 HydrophobicContact CG-CB 4.33Å; Y935-H946 AromaticContact CG-CD2 3.86Å; Y935-H946 AromaticContact CG-CE1 3.49Å; Y935-H946 VanDerWaalsContact CG-CE1 3.49Å; Y935-H946 AromaticContact CG-CG 3.57Å; Y935-H946 AromaticContact CG-ND1 3.33Å; Y935-H946 VanDerWaalsContact CG-ND1 3.33Å; Y935-H946 AromaticContact CG-NE2 3.83Å
936	A	72.7	Confident	69.9	Low	29 Å²	29	58.4 Å²	58.4	24%	0.24	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.1	176.2	0	0	0	0	0	111.1	Q927 Y928 W929	Q927-A936 HydrophobicContact CB-CB 4.28Å; Y928-A936 CarbonylContact O-C 3.55Å; Y928-A936 VanDerWaalsContact O-CA 3.26Å; Y928-A936 WeakPolarHBondContact O-CA 3.45Å; W929-A936 HydrophobicContact CD2-CB 3.79Å; W929-A936 HydrophobicContact CE3-CB 3.84Å; W929-A936 HydrophobicContact CG-CB 4.42Å; W929-A936 HydrophobicContact CH2-CB 3.96Å; W929-A936 HydrophobicContact CZ2-CB 3.91Å; W929-A936 HydrophobicContact CZ3-CB 3.92Å
937	C	73.5	Confident	69.3	Low	15 Å²	15	59.1 Å²	59.1	10%	0.101	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	152.7	175.2	62.2	0	0	0	0	113	Y928 Y935 R939 L943	Y928-C937 PolarHBondContact N-O 3.23Å; Y928-C937 PolarHBondContact O-N 3.46Å; Y935-C937 HydrophobicContact CE1-CB 3.85Å; C937-R939 VanDerWaalsContact C-N 3.33Å; C937-R939 PolarHBondContact O-N 3.27Å; C937-R939 PolarHBondContact SG-O 3.13Å; C937-R939 VanDerWaalsContact SG-O 3.4Å; C937-L943 VanDerWaalsContact SG-CB 3.6Å; C937-L943 PolarHBondContact SG-N 3.08Å
938	E	65.7	Low	69.1	Low	101 Å²	101	59.5 Å²	59.5	47%	0.472	30%	0.299	S	S	.	.	S	Bend	trans	-73.2	-16.7	-175.7	-64.1	162.2	-177.5	0	0	114.8	M921 Q927	M921-E938 WeakPolarHBondContact CB-O 3.45Å; Q927-E938 HydrophobicContact CG-CG 4.24Å
939	R	64.8	Low	69	Low	138 Å²	138	63.1 Å²	63.1	52%	0.521	33%	0.325	S	S	.	.			trans	-125.6	138.4	-177.2	-66.3	-166.5	-172.3	-166.4	0.4	114	D918 C937 I941 S942 L943	D918-R939 VanDerWaalsContact OD1-CA 3.24Å; D918-R939 WeakPolarHBondContact OD1-CA 3.46Å; C937-R939 VanDerWaalsContact C-N 3.33Å; C937-R939 PolarHBondContact O-N 3.27Å; C937-R939 PolarHBondContact SG-O 3.13Å; C937-R939 VanDerWaalsContact SG-O 3.4Å; R939-I941 VanDerWaalsContact C-N 3.29Å; R939-I941 PolarHBondContact O-N 3.08Å; R939-S942 WeakPolarHBondContact O-CB 3.5Å; R939-S942 PolarHBondContact O-N 3.2Å; R939-L943 PolarHBondContact O-N 3.27Å; R939-L943 VanDerWaalsContact O-N 3.17Å
940	A	64.7	Low	69.1	Low	1 Å²	1	60.8 Å²	60.8	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-58.6	-38.6	179.7	0	0	0	0	0	112.5	Y884 L886 D918 Y928 S942 L943 W944	Y884-A940 HydrophobicContact CE2-CB 4.24Å; L886-A940 HydrophobicContact CD1-CB 3.76Å; L886-A940 HydrophobicContact CD2-CB 3.92Å; L886-A940 HydrophobicContact CG-CB 4.48Å; D918-A940 WeakPolarHBondContact OD1-CB 3.34Å; D918-A940 PolarHBondContact OD1-N 3.29Å; Y928-A940 HydrophobicContact CD2-CB 4.5Å; Y928-A940 HydrophobicContact CE1-CB 4.28Å; Y928-A940 HydrophobicContact CE2-CB 3.86Å; Y928-A940 VanDerWaalsContact CE2-N 3.25Å; A940-S942 VanDerWaalsContact C-N 3.29Å; A940-S942 PolarHBondContact O-N 2.84Å; A940-L943 PolarHBondContact O-N 3.38Å; A940-W944 PolarHBondContact O-N 3.47Å
941	I	62.7	Low	69	Low	51 Å²	51	62.2 Å²	62.2	26%	0.262	33%	0.328	S	S	.	.	H	α-helix	trans	-56	-44.2	173.5	-55.6	167.6	0	0	0	111	Y884 R939 K945	Y884-I941 HydrophobicContact CE1-CB 4.43Å; Y884-I941 HydrophobicContact CE1-CG1 3.64Å; Y884-I941 HydrophobicContact CE2-CG1 4.21Å; Y884-I941 VanDerWaalsContact CZ-CG1 3.45Å; Y884-I941 VanDerWaalsContact OH-CG1 3.24Å; Y884-I941 WeakPolarHBondContact OH-CG1 3.28Å; R939-I941 VanDerWaalsContact C-N 3.29Å; R939-I941 PolarHBondContact O-N 3.08Å; I941-K945 HydrophobicContact CG2-CD 4.09Å; I941-K945 WeakPolarHBondContact O-CB 3.31Å; I941-K945 VanDerWaalsContact O-CG 3.31Å; I941-K945 WeakPolarHBondContact O-CG 3.21Å; I941-K945 PolarHBondContact O-N 3.47Å
942	S	69.5	Low	68.8	Low	48 Å²	48	64.1 Å²	64.1	34%	0.336	34%	0.335	S	S	.	.	H	α-helix	trans	-69.8	-39.5	-177.9	-61.3	0	0	0	0	110.7	R939 A940 K945 H946	R939-S942 WeakPolarHBondContact O-CB 3.5Å; R939-S942 PolarHBondContact O-N 3.2Å; A940-S942 VanDerWaalsContact C-N 3.29Å; A940-S942 PolarHBondContact O-N 2.84Å; S942-K945 PolarHBondContact O-N 3.28Å; S942-H946 WeakPolarHBondContact O-CB 3.31Å; S942-H946 PolarHBondContact O-N 3.43Å
943	L	68.6	Low	67.4	Low	0 Å²	0	68 Å²	68	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.6	-45.5	176.9	-179.7	53.4	0	0	0	111.6	L886 I890 Y928 W929 C930 Y935 C937 R939 A940 H946 Y947	L886-L943 HydrophobicContact CD2-CB 4.48Å; L886-L943 HydrophobicContact CD2-CD2 4.26Å; I890-L943 HydrophobicContact CD1-CD2 3.81Å; I890-L943 HydrophobicContact CD1-CG 4.39Å; I890-L943 HydrophobicContact CG1-CD2 4.09Å; I890-L943 HydrophobicContact CG2-CD2 3.6Å; Y928-L943 HydrophobicContact CG-CD2 4.49Å; W929-L943 WeakPolarHBondContact O-CD2 3.45Å; C930-L943 HydrophobicContact CB-CD1 3.65Å; Y935-L943 HydrophobicContact CD1-CD1 4.09Å; Y935-L943 HydrophobicContact CE1-CD1 4.5Å; C937-L943 VanDerWaalsContact SG-CB 3.6Å; C937-L943 PolarHBondContact SG-N 3.08Å; R939-L943 PolarHBondContact O-N 3.27Å; R939-L943 VanDerWaalsContact O-N 3.17Å; A940-L943 PolarHBondContact O-N 3.38Å; L943-H946 WeakPolarHBondContact O-CB 3.43Å; L943-H946 PolarHBondContact O-N 2.77Å; L943-Y947 WeakPolarHBondContact O-CB 3.2Å; L943-Y947 PolarHBondContact O-N 3.02Å
944	W	64	Low	65.6	Low	68 Å²	68	75.5 Å²	75.5	26%	0.258	38%	0.376	S	S	.	.	H	α-helix	trans	-64.4	-41.8	177.8	-177.4	88.9	0	0	0	112.3	S883 Y884 S885 A940 H946 Y947 C948	S883-W944 WeakPolarHBondContact O-CH2 3.33Å; S883-W944 WeakPolarHBondContact O-CZ2 3.37Å; Y884-W944 HydrophobicContact CD2-CB 4.38Å; Y884-W944 HydrophobicContact CG-CB 4.33Å; Y884-W944 HydrophobicContact CG-CD2 4.42Å; Y884-W944 HydrophobicContact CG-CG 4.31Å; S885-W944 PolarHBondContact O-NE1 3.44Å; A940-W944 PolarHBondContact O-N 3.47Å; W944-H946 VanDerWaalsContact C-N 3.3Å; W944-H946 PolarHBondContact O-N 3.02Å; W944-Y947 PolarHBondContact O-N 3.2Å; W944-C948 WeakPolarHBondContact O-CB 3.49Å; W944-C948 PolarHBondContact O-N 3.45Å
945	K	65.8	Low	63.4	Low	130 Å²	130	74.9 Å²	74.9	57%	0.565	37%	0.374	S	S	*	.	H	α-helix	trans	-60.3	-39.6	174	-76.5	175.5	-179.3	175.4	0	112.2	I941 S942 S949	I941-K945 HydrophobicContact CG2-CD 4.09Å; I941-K945 WeakPolarHBondContact O-CB 3.31Å; I941-K945 VanDerWaalsContact O-CG 3.31Å; I941-K945 WeakPolarHBondContact O-CG 3.21Å; I941-K945 PolarHBondContact O-N 3.47Å; S942-K945 PolarHBondContact O-N 3.28Å; K945-S949 WeakPolarHBondContact O-CB 3.49Å; K945-S949 PolarHBondContact O-N 2.97Å; K945-S949 VanDerWaalsContact O-N 3.11Å
946	H	73.7	Confident	61.2	Low	17 Å²	17	77.9 Å²	77.9	8%	0.079	39%	0.391	C	S	.	.	H	α-helix	trans	-62.5	-50.8	172.2	159.1	84.5	0	0	0	111.5	C930 C933 Y935 S942 L943 W944 C948 S949 I950 H951	C930-H946 WeakPolarHBondContact CB-NE2 3.23Å; C930-H946 PolarHBondContact SG-NE2 2.92Å; C933-H946 PolarHBondContact SG-CE1 2.99Å; C933-H946 PolarHBondContact SG-NE2 3.21Å; Y935-H946 WeakPolarHBondContact CB-CE1 3.35Å; Y935-H946 WeakPolarHBondContact CB-NE2 3.5Å; Y935-H946 HydrophobicContact CD1-CB 3.68Å; Y935-H946 AromaticContact CD1-CD2 3.48Å; Y935-H946 VanDerWaalsContact CD1-CD2 3.48Å; Y935-H946 WeakPolarHBondContact CD1-CD2 3.33Å; Y935-H946 AromaticContact CD1-CE1 3.94Å; Y935-H946 AromaticContact CD1-CG 3.25Å; Y935-H946 AromaticContact CD1-ND1 3.56Å; Y935-H946 AromaticContact CD1-NE2 3.92Å; Y935-H946 AromaticContact CD2-ND1 3.64Å; Y935-H946 HydrophobicContact CE1-CB 3.42Å; Y935-H946 VanDerWaalsContact CE1-CB 3.42Å; Y935-H946 AromaticContact CE1-CG 3.57Å; Y935-H946 HydrophobicContact CG-CB 4.33Å; Y935-H946 AromaticContact CG-CD2 3.86Å; Y935-H946 AromaticContact CG-CE1 3.49Å; Y935-H946 VanDerWaalsContact CG-CE1 3.49Å; Y935-H946 AromaticContact CG-CG 3.57Å; Y935-H946 AromaticContact CG-ND1 3.33Å; Y935-H946 VanDerWaalsContact CG-ND1 3.33Å; Y935-H946 AromaticContact CG-NE2 3.83Å; S942-H946 WeakPolarHBondContact O-CB 3.31Å; S942-H946 PolarHBondContact O-N 3.43Å; L943-H946 WeakPolarHBondContact O-CB 3.43Å; L943-H946 PolarHBondContact O-N 2.77Å; W944-H946 VanDerWaalsContact C-N 3.3Å; W944-H946 PolarHBondContact O-N 3.02Å; H946-C948 PolarHBondContact O-N 3.43Å; H946-S949 PolarHBondContact O-N 3.3Å; H946-I950 PolarHBondContact O-N 3.32Å; H946-H951 AromaticContact NE2-NE2 3.56Å
947	Y	64.5	Low	59.1	Low	56 Å²	56	82.8 Å²	82.8	22%	0.22	42%	0.421	C	S	.	.	H	α-helix	trans	-58.9	-48.6	-178	-174.4	-85.7	0	0	0	111.3	P887 P931 V932 L943 W944 S949 H951 N952	P887-Y947 HydrophobicContact CG-CE1 4.24Å; P887-Y947 HydrophobicContact CG-CE2 4.25Å; P931-Y947 HydrophobicContact CG-CE2 4.36Å; V932-Y947 HydrophobicContact CG2-CE2 3.94Å; L943-Y947 WeakPolarHBondContact O-CB 3.2Å; L943-Y947 PolarHBondContact O-N 3.02Å; W944-Y947 PolarHBondContact O-N 3.2Å; Y947-S949 VanDerWaalsContact C-N 3.27Å; Y947-S949 PolarHBondContact O-N 3.48Å; Y947-H951 HydrophobicContact CD2-CB 4.43Å; Y947-H951 AromaticContact CD2-CD2 3.89Å; Y947-H951 HydrophobicContact CE2-CB 4.38Å; Y947-H951 WeakPolarHBondContact O-CA 3.35Å; Y947-H951 WeakPolarHBondContact O-CB 3.48Å; Y947-H951 PolarHBondContact O-N 2.9Å; Y947-N952 PolarHBondContact O-N 3.34Å
948	C	69.3	Low	56.9	Low	37 Å²	37	88 Å²	88	25%	0.25	45%	0.448	C	S	.	.	H	α-helix	trans	-66.6	-23.7	176.4	-70.9	0	0	0	0	114	W944 H946	W944-C948 WeakPolarHBondContact O-CB 3.49Å; W944-C948 PolarHBondContact O-N 3.45Å; H946-C948 PolarHBondContact O-N 3.43Å
949	S	69.6	Low	55	Low	81 Å²	81	91.7 Å²	91.7	57%	0.566	47%	0.465	S	S	*	.	H	α-helix	trans	-85.1	-36.5	179	-175	0	0	0	0	113.1	K945 H946 Y947	K945-S949 WeakPolarHBondContact O-CB 3.49Å; K945-S949 PolarHBondContact O-N 2.97Å; K945-S949 VanDerWaalsContact O-N 3.11Å; H946-S949 PolarHBondContact O-N 3.3Å; Y947-S949 VanDerWaalsContact C-N 3.27Å; Y947-S949 PolarHBondContact O-N 3.48Å
950	I	70.5	Confident	53	Low	97 Å²	97	92.1 Å²	92.1	50%	0.497	48%	0.476	S	S	.	.	H	α-helix	trans	-103.3	-33.7	-173.1	-56.4	-160.2	0	0	0	112.8	H946	H946-I950 PolarHBondContact O-N 3.32Å
951	H	72.1	Confident	51	Low	42 Å²	42	96 Å²	96	19%	0.194	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-24.8	-170.7	-55.6	-50.9	0	0	0	114.8	C930 V932 C933 H946 Y947 K953	C930-H951 PolarHBondContact SG-NE2 3.44Å; C930-H951 VanDerWaalsContact SG-NE2 3.4Å; V932-H951 WeakPolarHBondContact CG1-ND1 3.38Å; C933-H951 PolarHBondContact SG-NE2 3.3Å; H946-H951 AromaticContact NE2-NE2 3.56Å; Y947-H951 HydrophobicContact CD2-CB 4.43Å; Y947-H951 AromaticContact CD2-CD2 3.89Å; Y947-H951 HydrophobicContact CE2-CB 4.38Å; Y947-H951 WeakPolarHBondContact O-CA 3.35Å; Y947-H951 WeakPolarHBondContact O-CB 3.48Å; Y947-H951 PolarHBondContact O-N 2.9Å; H951-K953 PolarHBondContact O-N 3.45Å
952	N	59	Low	49.3	Very low	103 Å²	103	97.8 Å²	97.8	55%	0.551	52%	0.524	S	S	*	.			trans	-76.8	29.9	176.2	-87.6	5.9	0	0	0	114.7	Y947	Y947-N952 PolarHBondContact O-N 3.34Å
953	K	43.3	Very low	47.2	Very low	168 Å²	168	100.6 Å²	100.6	73%	0.73	54%	0.539	S	S	*	.	S	Bend	trans	-97.2	110.9	168.5	-68.6	-173.9	-177.9	178.6	0	108.9	H951	H951-K953 PolarHBondContact O-N 3.45Å
954	E	33.5	Very low	45	Very low	196 Å²	196	106.9 Å²	106.9	92%	0.916	57%	0.573	S	S	*	*	S	Bend	trans	64	66.8	171.5	-62.4	173.9	-163.1	0	0	115.2
955	S	31.1	Very low	43	Very low	107 Å²	107	110.4 Å²	110.4	75%	0.748	59%	0.59	S	S	*	*			trans	-140.4	108.6	154.7	-70.9	0	0	0	0	110.4
956	E	25.9	Very low	40.8	Very low	150 Å²	150	112.6 Å²	112.6	70%	0.701	61%	0.606	S	S	*	*			trans	-58.2	161.4	141	-75.1	-171.9	130.1	0	0	108.9	N958	E956-N958 PolarHBondContact O-N 2.86Å
957	P	29.5	Very low	38.3	Very low	133 Å²	133	120.4 Å²	120.4	86%	0.864	64%	0.637	S	S	*	*			trans	-72	51.2	176.7	31.6	-36.7	0	0	0	113.2	Q959	P957-Q959 PolarHBondContact O-N 3.41Å
958	N	27.4	Very low	36.3	Very low	125 Å²	125	128.5 Å²	128.5	67%	0.668	67%	0.667	S	S	*	*			trans	-66.5	80.3	166	-80.2	-49.9	0	0	0	109.6	E956 I960	E956-N958 PolarHBondContact O-N 2.86Å; N958-I960 PolarHBondContact O-N 3.22Å
959	Q	25.7	Very low	34	Very low	178 Å²	178	134.2 Å²	134.2	83%	0.832	69%	0.693	S	S	*	*			trans	27.5	71.8	147.5	-58.2	-179.3	9.8	0	0	114.4	P957 P961	P957-Q959 PolarHBondContact O-N 3.41Å; Q959-P961 VanDerWaalsContact O-CD 3.24Å; Q959-P961 WeakPolarHBondContact O-CD 3.46Å
960	I	23.3	Very low	31.8	Very low	147 Å²	147	135.6 Å²	135.6	75%	0.754	70%	0.698	S	S	*	*			trans	-59.1	114.9	157.5	-60.5	177	0	0	0	104.8	N958 A962	N958-I960 PolarHBondContact O-N 3.22Å; I960-A962 PolarHBondContact O-N 3.36Å
961	P	22.6	Very low	29.5	Very low	81 Å²	81	140 Å²	140	53%	0.526	71%	0.714	S	S	.	*			trans	-62.4	134.3	-168.7	23.3	-33.1	0	0	0	109.7	Q959 T963 N964	Q959-P961 VanDerWaalsContact O-CD 3.24Å; Q959-P961 WeakPolarHBondContact O-CD 3.46Å; P961-T963 PolarHBondContact O-N 3.29Å; P961-N964 PolarHBondContact O-N 3.24Å
962	A	25.7	Very low	27	Very low	90 Å²	90	144.3 Å²	144.3	74%	0.744	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	12.3	-172.4	0	0	0	0	0	114.7	I960	I960-A962 PolarHBondContact O-N 3.36Å
963	T	25.5	Very low	25.3	Very low	106 Å²	106	147.8 Å²	147.8	65%	0.65	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-24.6	178.3	50.6	0	0	0	0	113	P961 K965	P961-T963 PolarHBondContact O-N 3.29Å; T963-K965 PolarHBondContact O-N 3.06Å
964	N	22.3	Very low	24.2	Very low	133 Å²	133	145.4 Å²	145.4	71%	0.711	76%	0.76	S	S	*	*			trans	-76.9	41.6	175.4	-80.4	-5.2	0	0	0	113.3	P961 L966	P961-N964 PolarHBondContact O-N 3.24Å; N964-L966 PolarHBondContact O-N 3.03Å; N964-L966 VanDerWaalsContact O-N 3.12Å
965	K	22.6	Very low	23.8	Very low	141 Å²	141	141.8 Å²	141.8	61%	0.613	75%	0.751	S	S	*	*			trans	-65.4	107.4	159.5	-72.2	-179.8	-179.7	178.1	0	107.3	T963 Y967	T963-K965 PolarHBondContact O-N 3.06Å; K965-Y967 HydrophobicContact CB-CD2 4.27Å; K965-Y967 HydrophobicContact CB-CE2 3.79Å; K965-Y967 WeakPolarHBondContact O-CD2 3.15Å; K965-Y967 PolarHBondContact O-N 3.44Å
966	L	20.5	Very low	23.4	Very low	176 Å²	176	139.2 Å²	139.2	92%	0.921	74%	0.742	S	S	*	*			trans	-70.6	83.2	172.7	-76	172.3	0	0	0	109.6	N964 R968	N964-L966 PolarHBondContact O-N 3.03Å; N964-L966 VanDerWaalsContact O-N 3.12Å; L966-R968 PolarHBondContact O-N 3.44Å; L966-R968 VanDerWaalsContact O-N 3.07Å
967	Y	21.1	Very low	23.2	Very low	182 Å²	182	138.3 Å²	138.3	71%	0.714	75%	0.747	S	S	*	*			trans	-56.7	114	171.4	-66.7	-85.5	0	0	0	109.1	K965 I969	K965-Y967 HydrophobicContact CB-CD2 4.27Å; K965-Y967 HydrophobicContact CB-CE2 3.79Å; K965-Y967 WeakPolarHBondContact O-CD2 3.15Å; K965-Y967 PolarHBondContact O-N 3.44Å; Y967-I969 PolarHBondContact O-N 2.92Å
968	R	21.6	Very low	22.9	Very low	225 Å²	225	137.3 Å²	137.3	85%	0.849	74%	0.738	S	S	*	*			trans	-60.1	112.1	163.8	-175.1	179.7	-168.6	167.4	4.5	106.5	L966 V970	L966-R968 PolarHBondContact O-N 3.44Å; L966-R968 VanDerWaalsContact O-N 3.07Å; R968-V970 HydrophobicContact CG-CG2 4.26Å; R968-V970 PolarHBondContact O-N 3.35Å
969	I	20.7	Very low	22.8	Very low	158 Å²	158	137.8 Å²	137.8	81%	0.81	74%	0.741	S	S	*	*			trans	-67.6	85.3	171.3	-57	176.5	0	0	0	107	Y967 K971	Y967-I969 PolarHBondContact O-N 2.92Å; I969-K971 VanDerWaalsContact C-N 3.31Å; I969-K971 PolarHBondContact O-N 2.64Å
970	V	24	Very low	22.5	Very low	109 Å²	109	138.9 Å²	138.9	66%	0.661	74%	0.743	S	S	*	*			trans	-68.5	97.7	165.2	178.9	0	0	0	0	105.1	R968 T972	R968-V970 HydrophobicContact CG-CG2 4.26Å; R968-V970 PolarHBondContact O-N 3.35Å; V970-T972 PolarHBondContact O-N 2.83Å
971	K	21.3	Very low	22.3	Very low	191 Å²	191	136.5 Å²	136.5	83%	0.83	74%	0.74	S	S	*	*			trans	-56.4	113.4	174	-173.5	178.2	-177.5	-176.8	0	107	I969 Q973	I969-K971 VanDerWaalsContact C-N 3.31Å; I969-K971 PolarHBondContact O-N 2.64Å; K971-Q973 PolarHBondContact O-N 2.86Å
972	T	20.7	Very low	22.3	Very low	131 Å²	131	139.3 Å²	139.3	80%	0.804	76%	0.755	S	S	*	*			trans	-63.5	97.5	-174.8	32.8	0	0	0	0	109.7	V970 S974	V970-T972 PolarHBondContact O-N 2.83Å; T972-S974 PolarHBondContact O-N 2.91Å; T972-S974 VanDerWaalsContact O-N 3.15Å
973	Q	22.5	Very low	22.1	Very low	176 Å²	176	140.1 Å²	140.1	82%	0.822	76%	0.755	S	S	*	*			trans	-75.1	102.4	169.1	-143.1	169.6	-1.6	0	0	106.1	K971 V975	K971-Q973 PolarHBondContact O-N 2.86Å; Q973-V975 HydrophobicContact CG-CG2 4.37Å; Q973-V975 PolarHBondContact O-N 3.39Å
974	S	20.8	Very low	22	Very low	118 Å²	118	143.5 Å²	143.5	83%	0.825	77%	0.768	S	S	*	*			trans	-72.6	66.9	178.7	56.6	0	0	0	0	110.5	T972 G976	T972-S974 PolarHBondContact O-N 2.91Å; T972-S974 VanDerWaalsContact O-N 3.15Å; S974-G976 PolarHBondContact O-N 2.82Å
975	V	24.8	Very low	22.1	Very low	121 Å²	121	143.1 Å²	143.1	73%	0.733	77%	0.77	S	S	*	*			trans	-76.9	106.9	167.1	-177.9	0	0	0	0	106.1	Q973	Q973-V975 HydrophobicContact CG-CG2 4.37Å; Q973-V975 PolarHBondContact O-N 3.39Å
976	G	22.5	Very low	22.1	Very low	53 Å²	53	140.1 Å²	140.1	55%	0.546	77%	0.772	S	S	.	*			trans	-65.9	159.2	-176.8	0	0	0	0	0	112.5	S974 T978	S974-G976 PolarHBondContact O-N 2.82Å; G976-T978 VanDerWaalsContact C-N 3.31Å; G976-T978 PolarHBondContact O-N 2.91Å
977	T	21.9	Very low	22.1	Very low	131 Å²	131	138.4 Å²	138.4	80%	0.804	77%	0.769	S	S	*	*			trans	-63.9	89.3	167.3	35.1	0	0	0	0	110.4	N979	T977-N979 VanDerWaalsContact C-N 3.26Å; T977-N979 PolarHBondContact O-N 2.88Å
978	T	24.6	Very low	22.2	Very low	112 Å²	112	134.6 Å²	134.6	69%	0.687	77%	0.769	S	S	*	*			trans	-71	86.1	164.1	50.9	0	0	0	0	108.6	G976 F980	G976-T978 VanDerWaalsContact C-N 3.31Å; G976-T978 PolarHBondContact O-N 2.91Å; T978-F980 PolarHBondContact O-N 3.32Å; T978-F980 VanDerWaalsContact O-N 3.11Å
979	N	23.7	Very low	22.2	Very low	135 Å²	135	129.4 Å²	129.4	72%	0.722	76%	0.763	S	S	*	*			trans	-62	110.2	172.5	-68.1	-13.2	0	0	0	109	T977 S981	T977-N979 VanDerWaalsContact C-N 3.26Å; T977-N979 PolarHBondContact O-N 2.88Å; N979-S981 VanDerWaalsContact C-N 3.31Å; N979-S981 PolarHBondContact O-N 2.94Å
980	F	19.7	Very low	22.3	Very low	201 Å²	201	127.4 Å²	127.4	88%	0.882	76%	0.758	S	S	*	*			trans	-74.2	84.6	171.9	-80.9	-88.6	0	0	0	110.1	T978	T978-F980 PolarHBondContact O-N 3.32Å; T978-F980 VanDerWaalsContact O-N 3.11Å
981	S	19.8	Very low	22.2	Very low	97 Å²	97	129.6 Å²	129.6	68%	0.678	77%	0.765	S	S	*	*			trans	-136.8	116.7	170	-68.4	0	0	0	0	111.4	N979	N979-S981 VanDerWaalsContact C-N 3.31Å; N979-S981 PolarHBondContact O-N 2.94Å
982	T	21.1	Very low	22.3	Very low	139 Å²	139	125.5 Å²	125.5	85%	0.853	76%	0.761	S	S	*	*			trans	39.8	104.2	150.8	53.4	0	0	0	0	119.3
983	S	23.3	Very low	22.3	Very low	107 Å²	107	124.8 Å²	124.8	75%	0.748	76%	0.761	S	S	*	*				-145.7	116	120.2	54.5	0	0	0	0	110.7
984	I	21.7	Very low	22.7	Very low	177 Å²	177	122.4 Å²	122.4	91%	0.908	76%	0.761	S	S	*	*			trans	-81.3	115	162.9	-63	163.9	0	0	0	105.4
985	T	25.1	Very low	22.8	Very low	125 Å²	125	122.1 Å²	122.1	77%	0.767	76%	0.759	S	S	*	*			trans	-118.6	118.3	169.7	-55.5	0	0	0	0	108.1
986	A	22.8	Very low	22.7	Very low	79 Å²	79	121.2 Å²	121.2	65%	0.653	76%	0.758	S	S	*	*			trans	-75.4	151.9	-176.8	0	0	0	0	0	112.5	S988	A986-S988 PolarHBondContact O-N 2.82Å
987	T	19.9	Very low	22.7	Very low	139 Å²	139	124 Å²	124	85%	0.853	77%	0.769	S	S	*	*			trans	-18.4	121.9	155	-45.4	0	0	0	0	115.3
988	S	23.3	Very low	22.8	Very low	102 Å²	102	125.6 Å²	125.6	71%	0.713	77%	0.771	S	S	*	*			trans	-154.7	120	155.7	-80	0	0	0	0	110.8	A986	A986-S988 PolarHBondContact O-N 2.82Å
989	T	23	Very low	22.8	Very low	117 Å²	117	124.2 Å²	124.2	72%	0.718	77%	0.767	S	S	*	*			trans	13	134.5	132.4	38.6	0	0	0	0	117.5
990	T	21.3	Very low	22.7	Very low	116 Å²	116	127.9 Å²	127.9	71%	0.712	78%	0.776	S	S	*	*			cis	169.1	175.1	5.5	17.3	0	0	0	0	105.6
991	L	22.1	Very low	23	Very low	154 Å²	154	126 Å²	126	81%	0.806	77%	0.773	S	S	*	*			trans	83.9	141.8	146.7	-114.7	71	0	0	0	120.5
992	S	23.7	Very low	23.1	Very low	106 Å²	106	127.7 Å²	127.7	74%	0.741	78%	0.78	S	S	*	*			trans	75.4	86.5	149.5	-56.2	0	0	0	0	119.9
993	S	20.9	Very low	23.1	Very low	115 Å²	115	125.7 Å²	125.7	80%	0.804	78%	0.777	S	S	*	*			trans	-70.9	-170.3	152.8	-41.9	0	0	0	0	111.3
994	P	31.5	Very low	23.1	Very low	126 Å²	126	124.7 Å²	124.7	82%	0.818	78%	0.775	S	S	*	*				-120.4	159.9	-109.1	35.9	-18.4	0	0	0	115.4
995	S	23.3	Very low	23.1	Very low	112 Å²	112	125.6 Å²	125.6	78%	0.783	77%	0.773	S	S	*	*			trans	-132.4	121.7	178.6	-66	0	0	0	0	114.7
996	S	22.7	Very low	23	Very low	103 Å²	103	126.6 Å²	126.6	72%	0.72	77%	0.772	S	S	*	*			trans	46.8	100.4	141.9	63.2	0	0	0	0	120.7
997	S	22.3	Very low	23	Very low	110 Å²	110	130 Å²	130	77%	0.769	78%	0.778	S	S	*	*				44.4	120.2	124.9	63.4	0	0	0	0	121.2
998	L	23.5	Very low	23.1	Very low	165 Å²	165	129.3 Å²	129.3	86%	0.864	77%	0.773	S	S	*	*			trans	-147.1	143.6	142.6	-147.7	72.4	0	0	0	114.3
999	S	24.1	Very low	23	Very low	84 Å²	84	129.1 Å²	129.1	59%	0.587	77%	0.772	S	S	*	*			trans	35.8	108.9	153.6	58.9	0	0	0	0	120.4	I1001	S999-I1001 PolarHBondContact O-N 3.42Å
1000	K	22.1	Very low	23	Very low	212 Å²	212	129.5 Å²	129.5	92%	0.922	78%	0.777	S	S	*	*			trans	-26.8	119	144	-58.3	163.8	-179.1	172.3	0	112.8
1001	I	25.4	Very low	23.2	Very low	160 Å²	160	132.3 Å²	132.3	82%	0.821	79%	0.786	S	S	*	*			trans	-108.6	126.1	156.4	-64.7	-178.8	0	0	0	107.7	S999 A1003	S999-I1001 PolarHBondContact O-N 3.42Å; I1001-A1003 PolarHBondContact O-N 3.06Å
1002	T	21.6	Very low	23.3	Very low	134 Å²	134	134.4 Å²	134.4	82%	0.822	79%	0.789	S	S	*	*			trans	-59	133.8	-173.4	-54.5	0	0	0	0	111.5	A1004	T1002-A1004 PolarHBondContact O-N 3.2Å
1003	A	22.5	Very low	23.4	Very low	96 Å²	96	139.9 Å²	139.9	79%	0.793	79%	0.793	S	S	*	*			trans	-58.8	104.9	-176.5	0	0	0	0	0	112.1	I1001 K1005	I1001-A1003 PolarHBondContact O-N 3.06Å; A1003-K1005 PolarHBondContact O-N 3.28Å
1004	A	22.2	Very low	24	Very low	86 Å²	86	137 Å²	137	71%	0.711	78%	0.782	S	S	*	*			trans	-60.4	123.2	167.4	0	0	0	0	0	108.6	T1002 I1006	T1002-A1004 PolarHBondContact O-N 3.2Å; A1004-I1006 PolarHBondContact O-N 3.48Å
1005	K	22.5	Very low	24.3	Very low	196 Å²	196	138.2 Å²	138.2	85%	0.852	78%	0.782	S	S	*	*			trans	-72.8	71.5	-171.8	-171.8	179.7	179.1	178.2	0	111.3	A1003 I1007	A1003-K1005 PolarHBondContact O-N 3.28Å; K1005-I1007 PolarHBondContact O-N 3.45Å
1006	I	23.2	Very low	25.4	Very low	146 Å²	146	136.1 Å²	136.1	75%	0.749	76%	0.759	S	S	*	*			trans	-59.7	112.7	170.4	-63.4	178	0	0	0	107.1	A1004 T1008	A1004-I1006 PolarHBondContact O-N 3.48Å; I1006-T1008 VanDerWaalsContact C-N 3.3Å; I1006-T1008 PolarHBondContact O-N 3.39Å
1007	I	21.3	Very low	26.3	Very low	151 Å²	151	136.4 Å²	136.4	77%	0.774	75%	0.745	S	S	*	*			trans	-72.3	91.5	176.3	-59.2	173.4	0	0	0	106.7	K1005 S1009	K1005-I1007 PolarHBondContact O-N 3.45Å; I1007-S1009 PolarHBondContact O-N 2.83Å; I1007-S1009 VanDerWaalsContact O-N 3.12Å
1008	T	22.4	Very low	27.1	Very low	124 Å²	124	134.3 Å²	134.3	76%	0.761	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-57.7	116.9	169.4	30.9	0	0	0	0	108.3	I1006	I1006-T1008 VanDerWaalsContact C-N 3.3Å; I1006-T1008 PolarHBondContact O-N 3.39Å
1009	S	20.9	Very low	27.9	Very low	99 Å²	99	128 Å²	128	69%	0.692	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-54.3	144.5	176.3	50.7	0	0	0	0	109.8	I1007 L1011	I1007-S1009 PolarHBondContact O-N 2.83Å; I1007-S1009 VanDerWaalsContact O-N 3.12Å; S1009-L1011 PolarHBondContact O-N 2.98Å; S1009-L1011 VanDerWaalsContact O-N 3.08Å
1010	P	24.2	Very low	28.5	Very low	125 Å²	125	131.9 Å²	131.9	81%	0.812	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-46.2	118.8	-164.5	-33	36	0	0	0	113.1	K1012	P1010-K1012 PolarHBondContact O-N 2.95Å; P1010-K1012 VanDerWaalsContact O-N 3.11Å
1011	L	25	Very low	29.5	Very low	174 Å²	174	124.2 Å²	124.2	91%	0.911	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-49.1	121	-178	-171.8	71.7	0	0	0	108.4	S1009 R1013	S1009-L1011 PolarHBondContact O-N 2.98Å; S1009-L1011 VanDerWaalsContact O-N 3.08Å; L1011-R1013 PolarHBondContact O-N 2.96Å
1012	K	25.2	Very low	30.5	Very low	199 Å²	199	126 Å²	126	87%	0.865	70%	0.699	S	S	*	*			trans	-61.7	97.4	-173.6	-76.1	-179.1	179.1	173.9	0	109.7	P1010 G1014	P1010-K1012 PolarHBondContact O-N 2.95Å; P1010-K1012 VanDerWaalsContact O-N 3.11Å; K1012-G1014 PolarHBondContact O-N 3.25Å
1013	R	25.8	Very low	31.4	Very low	220 Å²	220	123.7 Å²	123.7	83%	0.83	68%	0.681	S	S	*	*			trans	-53.6	109.7	161.7	-136.8	179.5	-162.3	178.6	6.2	105.8	L1011 N1015	L1011-R1013 PolarHBondContact O-N 2.96Å; R1013-N1015 PolarHBondContact O-N 3.14Å
1014	G	32.3	Very low	32.7	Very low	54 Å²	54	122.1 Å²	122.1	56%	0.557	66%	0.664	S	S	*	*			trans	-53.2	136.8	176.5	0	0	0	0	0	108.7	K1012 Q1016	K1012-G1014 PolarHBondContact O-N 3.25Å; G1014-Q1016 PolarHBondContact O-N 2.66Å
1015	N	38.3	Very low	34.2	Very low	153 Å²	153	123.4 Å²	123.4	82%	0.818	66%	0.655	S	S	*	*			trans	-70	73.2	-171.5	-77.8	-7.4	0	0	0	111.5	R1013 R1017	R1013-N1015 PolarHBondContact O-N 3.14Å; N1015-R1017 PolarHBondContact O-N 3.37Å
1016	Q	45.9	Very low	35.7	Very low	68 Å²	68	116.6 Å²	116.6	32%	0.318	63%	0.626	S	S	.	*			trans	-56.6	124.7	174.9	-70.6	176.4	-13.8	0	0	109.1	G1014 C1018	G1014-Q1016 PolarHBondContact O-N 2.66Å; Q1016-C1018 PolarHBondContact O-N 2.9Å
1017	R	41	Very low	37.5	Very low	109 Å²	109	110.7 Å²	110.7	41%	0.411	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.8	76.6	177.8	-73	176.8	164.6	-176.2	-8.3	109.9	E207 N1015 H1027 G1028	E207-R1017 IonicContact OE2-CZ 3.29Å; E207-R1017 IonicContact OE2-NH1 2.74Å; E207-R1017 IonicContact OE2-NH2 3.93Å; E207-R1017 PolarHBondContact OE2-NH2 3.47Å; N1015-R1017 PolarHBondContact O-N 3.37Å; R1017-H1027 WeakPolarHBondContact O-CA 3.06Å; R1017-G1028 PolarHBondContact O-N 3.06Å
1018	C	40.8	Very low	39.5	Very low	65 Å²	65	103.6 Å²	103.6	44%	0.439	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74	134.7	176.9	-175.7	0	0	0	0	111.1	Q1016	Q1016-C1018 PolarHBondContact O-N 2.9Å
1019	A	39.5	Very low	41.8	Very low	34 Å²	34	97.7 Å²	97.7	28%	0.281	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-76.1	138.4	174.8	0	0	0	0	0	111.6	L1023 S1024 F1026	A1019-L1023 HydrophobicContact CB-CB 3.65Å; A1019-S1024 WeakPolarHBondContact O-CA 3.42Å; A1019-S1024 WeakPolarHBondContact O-CB 3.37Å; A1019-S1024 PolarHBondContact O-N 3.01Å; A1019-F1026 PolarHBondContact N-O 3.29Å; A1019-F1026 VanDerWaalsContact N-O 3.1Å
1020	I	35.9	Very low	44	Very low	165 Å²	165	96 Å²	96	85%	0.846	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-78.1	142.7	-172.9	-61	173.7	0	0	0	111.4
1021	G	42.8	Very low	46	Very low	50 Å²	50	94.5 Å²	94.5	52%	0.515	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	78.7	-136.5	172.8	0	0	0	0	0	113.5	L1023 S1024	G1021-L1023 PolarHBondContact O-N 3.11Å; G1021-S1024 WeakPolarHBondContact O-CB 3.35Å; G1021-S1024 PolarHBondContact O-N 2.87Å; G1021-S1024 VanDerWaalsContact O-N 3.13Å; G1021-S1024 PolarHBondContact O-OG 3.43Å; G1021-S1024 VanDerWaalsContact O-OG 3.07Å
1022	H	47.8	Very low	47.7	Very low	199 Å²	199	87.7 Å²	87.7	92%	0.921	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-63.1	-8.5	-177.5	-81	-61.6	0	0	0	115.1
1023	L	40.1	Very low	49.6	Very low	84 Å²	84	83.4 Å²	83.4	44%	0.44	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-97.4	4.4	177.7	-69	168.1	0	0	0	113.2	A1019 G1021 Q1025 F1026	A1019-L1023 HydrophobicContact CB-CB 3.65Å; G1021-L1023 PolarHBondContact O-N 3.11Å; L1023-Q1025 PolarHBondContact O-N 3.06Å; L1023-F1026 HydrophobicContact CB-CD2 4.46Å; L1023-F1026 HydrophobicContact CD2-CD2 3.89Å; L1023-F1026 HydrophobicContact CD2-CE2 4.13Å; L1023-F1026 WeakPolarHBondContact O-CA 3.39Å; L1023-F1026 WeakPolarHBondContact O-CB 3.23Å; L1023-F1026 PolarHBondContact O-N 2.86Å
1024	S	49.1	Very low	51.2	Low	64 Å²	64	75.4 Å²	75.4	45%	0.448	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	0.3	-175.8	60.5	0	0	0	0	116.7	A1019 G1021 F1026	A1019-S1024 WeakPolarHBondContact O-CA 3.42Å; A1019-S1024 WeakPolarHBondContact O-CB 3.37Å; A1019-S1024 PolarHBondContact O-N 3.01Å; G1021-S1024 WeakPolarHBondContact O-CB 3.35Å; G1021-S1024 PolarHBondContact O-N 2.87Å; G1021-S1024 VanDerWaalsContact O-N 3.13Å; G1021-S1024 PolarHBondContact O-OG 3.43Å; G1021-S1024 VanDerWaalsContact O-OG 3.07Å; S1024-F1026 VanDerWaalsContact C-N 3.27Å
1025	Q	54.8	Low	52.2	Low	112 Å²	112	78.8 Å²	78.8	52%	0.523	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.3	165.5	-63	179.1	-15.5	0	0	112.4	L1023	L1023-Q1025 PolarHBondContact O-N 3.06Å
1026	F	52.7	Low	53	Low	54 Å²	54	76 Å²	76	24%	0.237	42%	0.417	C	S	.	.			trans	-111.8	136.1	-177.7	-64.4	-73.5	0	0	0	111.6	A1019 L1023 S1024 C1036 L1037 T1038	A1019-F1026 PolarHBondContact N-O 3.29Å; A1019-F1026 VanDerWaalsContact N-O 3.1Å; L1023-F1026 HydrophobicContact CB-CD2 4.46Å; L1023-F1026 HydrophobicContact CD2-CD2 3.89Å; L1023-F1026 HydrophobicContact CD2-CE2 4.13Å; L1023-F1026 WeakPolarHBondContact O-CA 3.39Å; L1023-F1026 WeakPolarHBondContact O-CB 3.23Å; L1023-F1026 PolarHBondContact O-N 2.86Å; S1024-F1026 VanDerWaalsContact C-N 3.27Å; F1026-C1036 HydrophobicContact CD1-CB 4.5Å; F1026-C1036 WeakPolarHBondContact CD1-O 3.36Å; F1026-L1037 CarbonylContact C-O 3.59Å; F1026-L1037 VanDerWaalsContact CA-O 3.32Å; F1026-L1037 WeakPolarHBondContact CA-O 3.33Å; F1026-T1038 HydrophobicContact CE1-CG2 4.27Å
1027	H	60.9	Low	53.9	Low	21 Å²	21	74.2 Å²	74.2	10%	0.097	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.8	-178.9	-56	-95.4	0	0	0	109.2	R1017 L1037 V1039 L1042	R1017-H1027 WeakPolarHBondContact O-CA 3.06Å; H1027-L1037 PolarHBondContact N-O 3Å; H1027-L1037 PolarHBondContact O-N 3.15Å; H1027-L1037 VanDerWaalsContact O-N 3.13Å; H1027-V1039 WeakPolarHBondContact NE2-CG2 3.43Å; H1027-L1042 HydrophobicContact CB-CD2 3.52Å
1028	G	64.6	Low	55.2	Low	3 Å²	3	71.6 Å²	71.6	3%	0.031	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	151.8	166	0	0	0	0	0	111.1	R1017 V1034	R1017-G1028 PolarHBondContact O-N 3.06Å; G1028-V1034 WeakPolarHBondContact CA-O 3.42Å
1029	C	69.3	Low	56.7	Low	0 Å²	0	72.3 Å²	72.3	0%	0	41%	0.408	C	S	.	.			trans	-68.3	137.1	169.1	-163.6	0	0	0	0	110.2	L1031 V1034 L1042 H1045	C1029-L1031 VanDerWaalsContact C-N 3.33Å; C1029-L1031 PolarHBondContact SG-N 3.17Å; C1029-V1034 PolarHBondContact N-O 3.49Å; C1029-L1042 HydrophobicContact CB-CD1 3.95Å; C1029-H1045 WeakPolarHBondContact CB-NE2 3.41Å; C1029-H1045 PolarHBondContact SG-NE2 3.28Å; C1029-H1045 VanDerWaalsContact SG-NE2 3.43Å
1030	D	68.4	Low	58.3	Low	64 Å²	64	76.5 Å²	76.5	34%	0.342	43%	0.425	S	S	.	.	S	Bend	trans	-85.4	-5.4	173.9	37.3	-64	0	0	0	112.9	K1046	D1030-K1046 WeakPolarHBondContact OD1-CE 3.04Å; D1030-K1046 IonicContact OD1-NZ 2.99Å; D1030-K1046 PolarHBondContact OD1-NZ 3.11Å; D1030-K1046 IonicContact OD2-NZ 2.8Å; D1030-K1046 PolarHBondContact OD2-NZ 2.97Å
1031	L	66.8	Low	60.2	Low	92 Å²	92	72.4 Å²	72.4	48%	0.482	41%	0.405	S	S	.	.	S	Bend	trans	-111.1	-14.8	-179.7	-60.2	175.8	0	0	0	114.3	C1029 H1050 N1052	C1029-L1031 VanDerWaalsContact C-N 3.33Å; C1029-L1031 PolarHBondContact SG-N 3.17Å; L1031-H1050 HydrophobicContact CD1-CB 3.7Å; L1031-N1052 HydrophobicContact CD1-CB 4.46Å
1032	C	60.2	Low	61.6	Low	31 Å²	31	70.3 Å²	70.3	21%	0.209	38%	0.382	C	S	.	.	S	Bend	trans	-157.4	168.6	177.4	79.9	0	0	0	0	112	V1034 H1045 H1050	C1032-V1034 PolarHBondContact O-N 3.37Å; C1032-H1045 PolarHBondContact SG-CE1 3.29Å; C1032-H1045 PolarHBondContact SG-NE2 2.75Å; C1032-H1050 PolarHBondContact SG-NE2 3.4Å
1033	P	65.2	Low	62.7	Low	109 Å²	109	63 Å²	63	71%	0.708	35%	0.35	S	S	*	.	S	Bend	trans	-80.4	35.9	-173	35	-36.8	0	0	0	114.1	F1035	P1033-F1035 HydrophobicContact CB-CE2 4.17Å; P1033-F1035 WeakPolarHBondContact O-CD2 3.26Å; P1033-F1035 VanDerWaalsContact O-CE2 3.28Å; P1033-F1035 WeakPolarHBondContact O-CE2 3.09Å
1034	V	59.4	Low	64.2	Low	53 Å²	53	63 Å²	63	32%	0.321	35%	0.354	S	S	.	.			trans	-91.1	120.5	173.5	178.6	0	0	0	0	109.5	G1028 C1029 C1032 L1037	G1028-V1034 WeakPolarHBondContact CA-O 3.42Å; C1029-V1034 PolarHBondContact N-O 3.49Å; C1032-V1034 PolarHBondContact O-N 3.37Å; V1034-L1037 HydrophobicContact CG1-CD1 3.7Å; V1034-L1037 HydrophobicContact CG1-CD2 4Å; V1034-L1037 HydrophobicContact CG1-CG 3.85Å
1035	F	53	Low	65.5	Low	125 Å²	125	61.4 Å²	61.4	55%	0.548	34%	0.339	S	S	.	.			trans	-116.1	167.5	-179.1	-56.9	-85.9	0	0	0	110.9	P1033	P1033-F1035 HydrophobicContact CB-CE2 4.17Å; P1033-F1035 WeakPolarHBondContact O-CD2 3.26Å; P1033-F1035 VanDerWaalsContact O-CE2 3.28Å; P1033-F1035 WeakPolarHBondContact O-CE2 3.09Å
1036	C	55.6	Low	66.3	Low	94 Å²	94	56.6 Å²	56.6	64%	0.635	32%	0.316	S	S	*	.	S	Bend	trans	65.5	33.7	173.1	-57.6	0	0	0	0	115.7	F1026	F1026-C1036 HydrophobicContact CD1-CB 4.5Å; F1026-C1036 WeakPolarHBondContact CD1-O 3.36Å
1037	L	63.1	Low	67.3	Low	31 Å²	31	59.1 Å²	59.1	16%	0.162	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-90.2	144	171.4	-61.3	-174.5	0	0	0	110.7	F1026 H1027 V1034 D1041 L1042 H1045	F1026-L1037 CarbonylContact C-O 3.59Å; F1026-L1037 VanDerWaalsContact CA-O 3.32Å; F1026-L1037 WeakPolarHBondContact CA-O 3.33Å; H1027-L1037 PolarHBondContact N-O 3Å; H1027-L1037 PolarHBondContact O-N 3.15Å; H1027-L1037 VanDerWaalsContact O-N 3.13Å; V1034-L1037 HydrophobicContact CG1-CD1 3.7Å; V1034-L1037 HydrophobicContact CG1-CD2 4Å; V1034-L1037 HydrophobicContact CG1-CG 3.85Å; L1037-D1041 HydrophobicContact CB-CB 3.96Å; L1037-D1041 HydrophobicContact CD2-CB 4.04Å; L1037-D1041 HydrophobicContact CG-CB 4.46Å; L1037-L1042 HydrophobicContact CB-CB 3.97Å; L1037-L1042 HydrophobicContact CD1-CB 4.23Å; L1037-L1042 HydrophobicContact CD1-CD1 4.1Å; L1037-H1045 HydrophobicContact CD1-CB 3.61Å
1038	T	69.8	Low	67.7	Low	53 Å²	53	63.4 Å²	63.4	33%	0.325	36%	0.355	S	S	.	.			trans	-70.2	170.7	164.2	71.7	0	0	0	0	110	F1026 N1040 D1041 L1042	F1026-T1038 HydrophobicContact CE1-CG2 4.27Å; T1038-N1040 PolarHBondContact O-N 3.27Å; T1038-N1040 PolarHBondContact OG1-N 3.46Å; T1038-D1041 VanDerWaalsContact CB-OD2 3.25Å; T1038-D1041 WeakPolarHBondContact CB-OD2 3.37Å; T1038-D1041 VanDerWaalsContact CG2-OD2 3.28Å; T1038-D1041 WeakPolarHBondContact CG2-OD2 3.38Å; T1038-D1041 PolarHBondContact N-OD2 3.45Å; T1038-D1041 PolarHBondContact O-N 3.25Å; T1038-D1041 PolarHBondContact OG1-N 3.14Å; T1038-D1041 PolarHBondContact OG1-OD2 3.41Å; T1038-L1042 VanDerWaalsContact O-CB 3.31Å; T1038-L1042 WeakPolarHBondContact O-CB 3.4Å; T1038-L1042 PolarHBondContact O-N 2.94Å
1039	V	71.6	Confident	68	Low	80 Å²	80	66 Å²	66	49%	0.485	38%	0.376	S	S	.	.	H	α-helix	trans	-55.6	-39.1	175.8	-179.2	0	0	0	0	111.9	H1027 N1043	H1027-V1039 WeakPolarHBondContact NE2-CG2 3.43Å; V1039-N1043 WeakPolarHBondContact O-CB 3.47Å; V1039-N1043 PolarHBondContact O-N 3.31Å
1040	N	73.6	Confident	68.3	Low	123 Å²	123	68.8 Å²	68.8	66%	0.658	39%	0.389	S	S	*	.	H	α-helix	trans	-70.5	-43.8	177.7	-74.9	12.6	0	0	0	112	T1038 L1042 N1043 T1044	T1038-N1040 PolarHBondContact O-N 3.27Å; T1038-N1040 PolarHBondContact OG1-N 3.46Å; N1040-L1042 VanDerWaalsContact C-N 3.31Å; N1040-L1042 PolarHBondContact O-N 2.86Å; N1040-N1043 PolarHBondContact O-N 3.14Å; N1040-T1044 WeakPolarHBondContact O-CB 3.34Å; N1040-T1044 PolarHBondContact O-N 3.34Å; N1040-T1044 PolarHBondContact O-OG1 3.32Å
1041	D	75	Confident	68.3	Low	79 Å²	79	70.5 Å²	70.5	42%	0.422	41%	0.412	S	S	.	.	H	α-helix	trans	-66.8	-35.8	178.2	-48.8	-53.1	0	0	0	110.8	L1037 T1038 H1045	L1037-D1041 HydrophobicContact CB-CB 3.96Å; L1037-D1041 HydrophobicContact CD2-CB 4.04Å; L1037-D1041 HydrophobicContact CG-CB 4.46Å; T1038-D1041 VanDerWaalsContact CB-OD2 3.25Å; T1038-D1041 WeakPolarHBondContact CB-OD2 3.37Å; T1038-D1041 VanDerWaalsContact CG2-OD2 3.28Å; T1038-D1041 WeakPolarHBondContact CG2-OD2 3.38Å; T1038-D1041 PolarHBondContact N-OD2 3.45Å; T1038-D1041 PolarHBondContact O-N 3.25Å; T1038-D1041 PolarHBondContact OG1-N 3.14Å; T1038-D1041 PolarHBondContact OG1-OD2 3.41Å; D1041-H1045 WeakPolarHBondContact O-CB 3.2Å; D1041-H1045 PolarHBondContact O-N 3.17Å
1042	L	73.4	Confident	68	Low	6 Å²	6	69.6 Å²	69.6	3%	0.031	41%	0.408	C	S	.	.	H	α-helix	trans	-67.5	-43.2	176.1	177.4	59.4	0	0	0	111.6	H1027 C1029 L1037 T1038 N1040 H1045 K1046	H1027-L1042 HydrophobicContact CB-CD2 3.52Å; C1029-L1042 HydrophobicContact CB-CD1 3.95Å; L1037-L1042 HydrophobicContact CB-CB 3.97Å; L1037-L1042 HydrophobicContact CD1-CB 4.23Å; L1037-L1042 HydrophobicContact CD1-CD1 4.1Å; T1038-L1042 VanDerWaalsContact O-CB 3.31Å; T1038-L1042 WeakPolarHBondContact O-CB 3.4Å; T1038-L1042 PolarHBondContact O-N 2.94Å; N1040-L1042 VanDerWaalsContact C-N 3.31Å; N1040-L1042 PolarHBondContact O-N 2.86Å; L1042-H1045 PolarHBondContact O-N 2.88Å; L1042-K1046 HydrophobicContact CD1-CG 4.09Å; L1042-K1046 WeakPolarHBondContact O-CB 3.46Å; L1042-K1046 WeakPolarHBondContact O-CG 3.45Å; L1042-K1046 PolarHBondContact O-N 3.08Å
1043	N	70.4	Confident	67.6	Low	44 Å²	44	73.3 Å²	73.3	24%	0.235	42%	0.422	C	S	.	.	H	α-helix	trans	-68	-39.9	177.3	-157.6	24.4	0	0	0	110.9	V1039 N1040 K1046 K1047 M1054	V1039-N1043 WeakPolarHBondContact O-CB 3.47Å; V1039-N1043 PolarHBondContact O-N 3.31Å; N1040-N1043 PolarHBondContact O-N 3.14Å; N1043-K1046 PolarHBondContact O-N 3.11Å; N1043-K1047 WeakPolarHBondContact O-CB 3.42Å; N1043-K1047 PolarHBondContact O-N 3.3Å; N1043-M1054 WeakPolarHBondContact OD1-CB 3.17Å; N1043-M1054 PolarHBondContact OD1-N 3.12Å
1044	T	70.4	Confident	66.7	Low	86 Å²	86	72 Å²	72	53%	0.528	41%	0.408	S	S	.	.	H	α-helix	trans	-58.2	-48.6	171.6	-52.5	0	0	0	0	111.1	N1040 K1047 T1048	N1040-T1044 WeakPolarHBondContact O-CB 3.34Å; N1040-T1044 PolarHBondContact O-N 3.34Å; N1040-T1044 PolarHBondContact O-OG1 3.32Å; T1044-K1047 PolarHBondContact O-N 2.88Å; T1044-T1048 HydrophobicContact CG2-CG2 4.5Å; T1044-T1048 WeakPolarHBondContact O-CG2 3.34Å; T1044-T1048 PolarHBondContact O-N 3.44Å; T1044-T1048 PolarHBondContact O-OG1 3.22Å; T1044-T1048 VanDerWaalsContact O-OG1 3.09Å
1045	H	77.9	Confident	65.7	Low	29 Å²	29	77.5 Å²	77.5	13%	0.134	43%	0.434	C	S	.	.	H	α-helix	trans	-64.7	-40.6	178.9	165.9	63	0	0	0	113.1	C1029 C1032 L1037 D1041 L1042 K1047 T1048 A1049 H1050	C1029-H1045 WeakPolarHBondContact CB-NE2 3.41Å; C1029-H1045 PolarHBondContact SG-NE2 3.28Å; C1029-H1045 VanDerWaalsContact SG-NE2 3.43Å; C1032-H1045 PolarHBondContact SG-CE1 3.29Å; C1032-H1045 PolarHBondContact SG-NE2 2.75Å; L1037-H1045 HydrophobicContact CD1-CB 3.61Å; D1041-H1045 WeakPolarHBondContact O-CB 3.2Å; D1041-H1045 PolarHBondContact O-N 3.17Å; L1042-H1045 PolarHBondContact O-N 2.88Å; H1045-K1047 VanDerWaalsContact C-N 3.33Å; H1045-T1048 PolarHBondContact O-N 2.99Å; H1045-A1049 VanDerWaalsContact O-CB 3.24Å; H1045-A1049 WeakPolarHBondContact O-CB 3.41Å; H1045-A1049 PolarHBondContact O-N 2.86Å; H1045-H1050 AromaticContact CE1-NE2 3.88Å; H1045-H1050 AromaticContact NE2-NE2 3.59Å
1046	K	71.8	Confident	64.7	Low	12 Å²	12	79.9 Å²	79.9	5%	0.052	44%	0.444	C	S	.	.	H	α-helix	trans	-65.1	-37.9	174	-75.4	-166.9	172.7	-160.8	0	111.7	D1030 L1042 N1043 H1050 A1051 N1052	D1030-K1046 WeakPolarHBondContact OD1-CE 3.04Å; D1030-K1046 IonicContact OD1-NZ 2.99Å; D1030-K1046 PolarHBondContact OD1-NZ 3.11Å; D1030-K1046 IonicContact OD2-NZ 2.8Å; D1030-K1046 PolarHBondContact OD2-NZ 2.97Å; L1042-K1046 HydrophobicContact CD1-CG 4.09Å; L1042-K1046 WeakPolarHBondContact O-CB 3.46Å; L1042-K1046 WeakPolarHBondContact O-CG 3.45Å; L1042-K1046 PolarHBondContact O-N 3.08Å; N1043-K1046 PolarHBondContact O-N 3.11Å; K1046-H1050 CarbonylContact O-C 3.56Å; K1046-H1050 VanDerWaalsContact O-C 3.32Å; K1046-H1050 WeakPolarHBondContact O-CA 3.33Å; K1046-H1050 WeakPolarHBondContact O-CB 3.47Å; K1046-H1050 PolarHBondContact O-N 2.8Å; K1046-H1050 VanDerWaalsContact O-N 3.14Å; K1046-A1051 PolarHBondContact O-N 3.31Å; K1046-N1052 CarbonylContact C-O 3.25Å; K1046-N1052 VanDerWaalsContact C-O 3.25Å; K1046-N1052 HydrophobicContact CB-CB 4.44Å; K1046-N1052 WeakPolarHBondContact CB-O 3.29Å; K1046-N1052 PolarHBondContact O-N 3.31Å
1047	K	73.7	Confident	63.5	Low	106 Å²	106	83.9 Å²	83.9	46%	0.461	45%	0.454	S	S	.	.	H	α-helix	trans	-65.7	-46.9	174.1	-172.8	155.3	179.2	155.2	0	112.2	N1043 T1044 H1045 A1051 N1052 E1053	N1043-K1047 WeakPolarHBondContact O-CB 3.42Å; N1043-K1047 PolarHBondContact O-N 3.3Å; T1044-K1047 PolarHBondContact O-N 2.88Å; H1045-K1047 VanDerWaalsContact C-N 3.33Å; K1047-A1051 WeakPolarHBondContact O-CA 3.26Å; K1047-A1051 PolarHBondContact O-N 3.34Å; K1047-N1052 PolarHBondContact N-O 2.91Å; K1047-E1053 HydrophobicContact CD-CB 4.41Å; K1047-E1053 HydrophobicContact CD-CG 4.39Å; K1047-E1053 WeakPolarHBondContact CD-OE1 3.09Å; K1047-E1053 IonicContact NZ-OE1 2.78Å; K1047-E1053 PolarHBondContact NZ-OE1 2.84Å; K1047-E1053 IonicContact NZ-OE2 3.38Å; K1047-E1053 PolarHBondContact NZ-OE2 2.78Å
1048	T	68.8	Low	61.8	Low	112 Å²	112	89.9 Å²	89.9	69%	0.687	49%	0.486	S	S	*	.	H	α-helix	trans	-82.7	-35	-175.3	58	0	0	0	0	115.2	T1044 H1045	T1044-T1048 HydrophobicContact CG2-CG2 4.5Å; T1044-T1048 WeakPolarHBondContact O-CG2 3.34Å; T1044-T1048 PolarHBondContact O-N 3.44Å; T1044-T1048 PolarHBondContact O-OG1 3.22Å; T1044-T1048 VanDerWaalsContact O-OG1 3.09Å; H1045-T1048 PolarHBondContact O-N 2.99Å
1049	A	70.8	Confident	59.7	Low	57 Å²	57	92.5 Å²	92.5	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-98.7	-15.9	-176.5	0	0	0	0	0	114	H1045	H1045-A1049 VanDerWaalsContact O-CB 3.24Å; H1045-A1049 WeakPolarHBondContact O-CB 3.41Å; H1045-A1049 PolarHBondContact O-N 2.86Å
1050	H	75	Confident	57.4	Low	58 Å²	58	95.6 Å²	95.6	27%	0.269	52%	0.52	S	S	.	.	H	α-helix	trans	-135.2	4.9	-173.9	-57.4	-48.6	0	0	0	114.7	L1031 C1032 H1045 K1046 N1052	L1031-H1050 HydrophobicContact CD1-CB 3.7Å; C1032-H1050 PolarHBondContact SG-NE2 3.4Å; H1045-H1050 AromaticContact CE1-NE2 3.88Å; H1045-H1050 AromaticContact NE2-NE2 3.59Å; K1046-H1050 CarbonylContact O-C 3.56Å; K1046-H1050 VanDerWaalsContact O-C 3.32Å; K1046-H1050 WeakPolarHBondContact O-CA 3.33Å; K1046-H1050 WeakPolarHBondContact O-CB 3.47Å; K1046-H1050 PolarHBondContact O-N 2.8Å; K1046-H1050 VanDerWaalsContact O-N 3.14Å; H1050-N1052 HydrophobicContact CB-CB 4.15Å; H1050-N1052 PolarHBondContact O-N 3.43Å
1051	A	68.3	Low	55	Low	100 Å²	100	96.1 Å²	96.1	83%	0.826	52%	0.523	S	S	*	.			trans	49.7	29.5	-175.3	0	0	0	0	0	113.8	K1046 K1047	K1046-A1051 PolarHBondContact O-N 3.31Å; K1047-A1051 WeakPolarHBondContact O-CA 3.26Å; K1047-A1051 PolarHBondContact O-N 3.34Å
1052	N	61.7	Low	52.7	Low	74 Å²	74	99 Å²	99	40%	0.396	54%	0.538	S	S	.	.			trans	-118.9	101.1	-168.3	-168.4	-61.5	0	0	0	109.7	L1031 K1046 K1047 H1050	L1031-N1052 HydrophobicContact CD1-CB 4.46Å; K1046-N1052 CarbonylContact C-O 3.25Å; K1046-N1052 VanDerWaalsContact C-O 3.25Å; K1046-N1052 HydrophobicContact CB-CB 4.44Å; K1046-N1052 WeakPolarHBondContact CB-O 3.29Å; K1046-N1052 PolarHBondContact O-N 3.31Å; K1047-N1052 PolarHBondContact N-O 2.91Å; H1050-N1052 HydrophobicContact CB-CB 4.15Å; H1050-N1052 PolarHBondContact O-N 3.43Å
1053	E	51.7	Low	50.3	Low	109 Å²	109	104.7 Å²	104.7	51%	0.509	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-94.3	127.3	179.6	-177.1	153.5	-134.3	0	0	111.2	K1047 L1055	K1047-E1053 HydrophobicContact CD-CB 4.41Å; K1047-E1053 HydrophobicContact CD-CG 4.39Å; K1047-E1053 WeakPolarHBondContact CD-OE1 3.09Å; K1047-E1053 IonicContact NZ-OE1 2.78Å; K1047-E1053 PolarHBondContact NZ-OE1 2.84Å; K1047-E1053 IonicContact NZ-OE2 3.38Å; K1047-E1053 PolarHBondContact NZ-OE2 2.78Å; E1053-L1055 PolarHBondContact O-N 3.41Å
1054	M	46.5	Very low	48.2	Very low	82 Å²	82	110 Å²	110	40%	0.404	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-71.1	118.9	168.7	-71.2	-167.4	60.4	0	0	109.9	N1043 K1056	N1043-M1054 WeakPolarHBondContact OD1-CB 3.17Å; N1043-M1054 PolarHBondContact OD1-N 3.12Å; M1054-K1056 PolarHBondContact O-N 3.44Å; M1054-K1056 VanDerWaalsContact O-N 3.13Å
1055	L	37	Very low	45.9	Very low	167 Å²	167	113.5 Å²	113.5	87%	0.874	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-48	118.7	168.5	-68.6	172.9	0	0	0	109.8	E1053 E1057	E1053-L1055 PolarHBondContact O-N 3.41Å; L1055-E1057 PolarHBondContact O-N 2.91Å
1056	K	32.9	Very low	43.3	Very low	175 Å²	175	116.7 Å²	116.7	76%	0.761	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-62.7	135.1	172.7	-77.2	173.8	173.6	168.4	0	109.1	M1054 N1058	M1054-K1056 PolarHBondContact O-N 3.44Å; M1054-K1056 VanDerWaalsContact O-N 3.13Å; K1056-N1058 PolarHBondContact O-N 3.22Å; K1056-N1058 VanDerWaalsContact O-N 3.13Å
1057	E	30.5	Very low	41.1	Very low	179 Å²	179	125.2 Å²	125.2	84%	0.836	68%	0.675	S	S	*	*			trans	-63.9	114.2	167.4	-69.5	179.7	157	0	0	108.5	L1055 S1059	L1055-E1057 PolarHBondContact O-N 2.91Å; E1057-S1059 VanDerWaalsContact C-N 3.26Å; E1057-S1059 PolarHBondContact O-N 2.84Å
1058	N	26.3	Very low	38.5	Very low	156 Å²	156	128.2 Å²	128.2	83%	0.834	69%	0.691	S	S	*	*			trans	-68.3	88.6	168.8	-81.2	-15.7	0	0	0	108.4	K1056 N1060	K1056-N1058 PolarHBondContact O-N 3.22Å; K1056-N1058 VanDerWaalsContact O-N 3.13Å; N1058-N1060 PolarHBondContact O-N 3.33Å
1059	S	26.4	Very low	36.3	Very low	109 Å²	109	128.6 Å²	128.6	76%	0.762	70%	0.695	S	S	*	*			trans	-64	77.8	169.9	-71.6	0	0	0	0	110.2	E1057 N1061	E1057-S1059 VanDerWaalsContact C-N 3.26Å; E1057-S1059 PolarHBondContact O-N 2.84Å; S1059-N1061 PolarHBondContact O-N 3.27Å; S1059-N1061 VanDerWaalsContact O-N 3.15Å
1060	N	24.5	Very low	33.9	Very low	145 Å²	145	131.3 Å²	131.3	78%	0.775	71%	0.706	S	S	*	*			trans	-71.2	110.8	-176.3	-151.3	3.6	0	0	0	108.9	N1058 N1062	N1058-N1060 PolarHBondContact O-N 3.33Å; N1060-N1062 VanDerWaalsContact C-N 3.26Å; N1060-N1062 PolarHBondContact O-N 2.77Å
1061	N	22	Very low	31.4	Very low	133 Å²	133	134.3 Å²	134.3	71%	0.711	73%	0.728	S	S	*	*			trans	-83	56.3	-154	-169.1	24.5	0	0	0	113.8	S1059 N1063	S1059-N1061 PolarHBondContact O-N 3.27Å; S1059-N1061 VanDerWaalsContact O-N 3.15Å; N1061-N1063 PolarHBondContact O-N 3.03Å; N1061-N1063 VanDerWaalsContact O-N 3.11Å
1062	N	26.1	Very low	29.1	Very low	140 Å²	140	134.3 Å²	134.3	75%	0.749	72%	0.722	S	S	*	*			trans	-84.1	85	178.5	-87.7	-5.7	0	0	0	112	N1060 N1064	N1060-N1062 VanDerWaalsContact C-N 3.26Å; N1060-N1062 PolarHBondContact O-N 2.77Å; N1062-N1064 PolarHBondContact O-N 3.25Å
1063	N	23.1	Very low	27.2	Very low	126 Å²	126	137.5 Å²	137.5	67%	0.674	74%	0.739	S	S	*	*			trans	-46.4	126.7	153.7	-85.1	-40.7	0	0	0	110.4	N1061	N1061-N1063 PolarHBondContact O-N 3.03Å; N1061-N1063 VanDerWaalsContact O-N 3.11Å
1064	N	26.9	Very low	25.8	Very low	154 Å²	154	138.4 Å²	138.4	82%	0.824	75%	0.752	S	S	*	*			trans	-148.9	92	158.1	-102.3	-46.6	0	0	0	110.4	N1062 S1066	N1062-N1064 PolarHBondContact O-N 3.25Å; N1064-S1066 PolarHBondContact O-N 2.98Å
1065	N	21.4	Very low	24.7	Very low	161 Å²	161	140.2 Å²	140.2	86%	0.861	77%	0.773	S	S	*	*			trans	-65.5	115.5	167.5	-74.6	-39.5	0	0	0	109.7
1066	S	23.5	Very low	24	Very low	95 Å²	95	135.5 Å²	135.5	66%	0.664	77%	0.765	S	S	*	*			trans	-160.7	107.4	155.5	-169.5	0	0	0	0	113.5	N1064	N1064-S1066 PolarHBondContact O-N 2.98Å
1067	K	25.3	Very low	23.5	Very low	191 Å²	191	137 Å²	137	83%	0.83	77%	0.771	S	S	*	*			trans	58.5	123.3	139.6	-58	174.9	-173.4	177.2	0	119.3
1068	Q	19.4	Very low	23	Very low	169 Å²	169	136.6 Å²	136.6	79%	0.79	77%	0.774	S	S	*	*			trans	-53.3	156.4	150.5	-61.2	165.9	-51.6	0	0	110.3
1069	P	23.7	Very low	22.9	Very low	120 Å²	120	135.4 Å²	135.4	78%	0.779	77%	0.773	S	S	*	*				-128.6	141.8	106	35.3	-30.3	0	0	0	113
1070	V	19.4	Very low	22.6	Very low	115 Å²	115	135.9 Å²	135.9	70%	0.697	77%	0.771	S	S	*	*			trans	-93.6	121	167.9	175.7	0	0	0	0	108
1071	V	24.1	Very low	22.7	Very low	121 Å²	121	136.4 Å²	136.4	73%	0.733	77%	0.773	S	S	*	*			trans	-134.5	114.8	165.3	-176.9	0	0	0	0	108.6
1072	S	19.3	Very low	22.6	Very low	100 Å²	100	135 Å²	135	70%	0.699	77%	0.773	S	S	*	*			trans	-102.6	118.2	171	-61.9	0	0	0	0	109
1073	N	22.4	Very low	22.7	Very low	140 Å²	140	134.9 Å²	134.9	75%	0.749	78%	0.777	S	S	*	*			trans	-145.2	108.3	160.1	-85	-43.2	0	0	0	105.9
1074	T	21.5	Very low	22.5	Very low	128 Å²	128	133.9 Å²	133.9	79%	0.785	78%	0.78	S	S	*	*				74.8	124.8	67	-55	0	0	0	0	111.4
1075	S	23.4	Very low	22.6	Very low	121 Å²	121	134.5 Å²	134.5	85%	0.846	78%	0.782	S	S	*	*			trans	-69.4	142.1	-168.8	50.8	0	0	0	0	114.6
1076	G	21.9	Very low	22.6	Very low	68 Å²	68	131.9 Å²	131.9	70%	0.701	77%	0.772	S	S	*	*			trans	-153.5	109.8	172.9	0	0	0	0	0	114.4
1077	F	21.6	Very low	22.6	Very low	205 Å²	205	133.6 Å²	133.6	90%	0.899	78%	0.779	S	S	*	*			trans	52	129.9	150.3	-81	-93.2	0	0	0	123.5
1078	L	20.6	Very low	22.6	Very low	172 Å²	172	130.5 Å²	130.5	90%	0.901	78%	0.776	S	S	*	*			trans	-65.4	138.4	148.9	-67.6	155	0	0	0	109.8
1079	T	25.6	Very low	22.8	Very low	131 Å²	131	128.3 Å²	128.3	80%	0.804	77%	0.774	S	S	*	*			trans	-140.5	131.3	160.3	-43.5	0	0	0	0	110.5
1080	T	19.8	Very low	22.9	Very low	118 Å²	118	128.5 Å²	128.5	72%	0.724	77%	0.773	S	S	*	*			trans	-69.5	139.4	177.1	-51.5	0	0	0	0	111.6
1081	I	26.6	Very low	23.1	Very low	157 Å²	157	128.5 Å²	128.5	81%	0.805	77%	0.774	S	S	*	*			trans	-122.5	119.6	156.2	-64.8	-178.6	0	0	0	108.3
1082	S	19.3	Very low	23.2	Very low	104 Å²	104	128.6 Å²	128.6	73%	0.727	78%	0.775	S	S	*	*			trans	-101.8	132	172.4	-55.6	0	0	0	0	109.1
1083	T	27.1	Very low	23.3	Very low	136 Å²	136	128.9 Å²	128.9	83%	0.834	77%	0.773	S	S	*	*			trans	-141.2	138.6	164.6	38.6	0	0	0	0	110
1084	S	20.5	Very low	23.4	Very low	105 Å²	105	128.4 Å²	128.4	73%	0.734	78%	0.775	S	S	*	*			trans	-125.9	128.2	-161.3	52.9	0	0	0	0	113.2
1085	I	28.1	Very low	23.6	Very low	168 Å²	168	126.8 Å²	126.8	86%	0.862	77%	0.774	S	S	*	*			trans	-144.5	107.7	162.3	-47.4	177.1	0	0	0	103.9
1086	T	21.5	Very low	23.6	Very low	106 Å²	106	128.3 Å²	128.3	65%	0.65	77%	0.771	S	S	*	*			cis	86.8	126.1	45.8	-53.7	0	0	0	0	112.3
1087	T	23.9	Very low	23.8	Very low	131 Å²	131	133 Å²	133	80%	0.804	78%	0.778	S	S	*	*			trans	61.7	153.6	-171	39.3	0	0	0	0	115
1088	T	25.6	Very low	23.8	Very low	125 Å²	125	129.5 Å²	129.5	77%	0.767	77%	0.774	S	S	*	*			cis	-138.6	167.1	6.9	-23.7	0	0	0	0	112.3
1089	T	23.8	Very low	23.9	Very low	123 Å²	123	126.3 Å²	126.3	76%	0.755	77%	0.766	S	S	*	*			trans	-68	163.5	164.6	47.5	0	0	0	0	112.3
1090	T	25	Very low	24	Very low	124 Å²	124	124.4 Å²	124.4	76%	0.761	76%	0.764	S	S	*	*			cis	-141.3	156.6	29.6	46.5	0	0	0	0	115.9
1091	T	24.6	Very low	24.2	Very low	116 Å²	116	127.5 Å²	127.5	71%	0.712	78%	0.775	S	S	*	*			trans	-24.5	154.4	153.8	49.1	0	0	0	0	117.6
1092	T	24.2	Very low	24.1	Very low	123 Å²	123	123.6 Å²	123.6	76%	0.755	77%	0.774	S	S	*	*			cis	-128.6	140.1	31.3	49.9	0	0	0	0	115
1093	T	22.8	Very low	24.4	Very low	106 Å²	106	126.4 Å²	126.4	65%	0.65	78%	0.781	S	S	*	*				54.6	132.1	78.3	5.3	0	0	0	0	114.1
1094	T	24.3	Very low	24.5	Very low	129 Å²	129	128.6 Å²	128.6	79%	0.791	78%	0.781	S	S	*	*			cis	-154.7	171.8	20.9	-42.1	0	0	0	0	112.8
1095	A	24.9	Very low	24.8	Very low	94 Å²	94	128.8 Å²	128.8	78%	0.777	78%	0.78	S	S	*	*			trans	79.3	86.1	153.6	0	0	0	0	0	119.6
1096	I	24.6	Very low	24.6	Very low	153 Å²	153	128.3 Å²	128.3	79%	0.785	78%	0.778	S	S	*	*			trans	-76.3	143.5	149	-63	160.5	0	0	0	108.7
1097	I	25.5	Very low	24.6	Very low	166 Å²	166	134.3 Å²	134.3	85%	0.851	79%	0.789	S	S	*	*			trans	-163	149.6	140.5	-103.4	153.1	0	0	0	109.7
1098	T	21.6	Very low	24.5	Very low	132 Å²	132	135.5 Å²	135.5	81%	0.81	79%	0.789	S	S	*	*			trans	-136.5	121.8	-170.2	-53.4	0	0	0	0	110.9
1099	S	23.6	Very low	24.4	Very low	105 Å²	105	135.2 Å²	135.2	73%	0.734	79%	0.787	S	S	*	*			trans	-169.4	143.5	164	56.3	0	0	0	0	115.3
1100	A	26.2	Very low	24.2	Very low	92 Å²	92	136.3 Å²	136.3	76%	0.76	79%	0.794	S	S	*	*			trans	66.9	103	145.4	0	0	0	0	0	121.6
1101	L	24.3	Very low	24.1	Very low	182 Å²	182	135.4 Å²	135.4	95%	0.953	79%	0.789	S	S	*	*			trans	15.1	125.9	130.6	-80.9	59.2	0	0	0	119.7
1102	G	25	Very low	24.1	Very low	76 Å²	76	136.5 Å²	136.5	78%	0.784	80%	0.796	S	S	*	*			trans	-178.6	115	158	0	0	0	0	0	112.8
1103	N	25.2	Very low	24.1	Very low	162 Å²	162	135.9 Å²	135.9	87%	0.866	80%	0.796	S	S	*	*			trans	-94.9	167.6	177.4	-78.1	-30.2	0	0	0	112
1104	Q	28.7	Very low	24.2	Very low	182 Å²	182	136.2 Å²	136.2	85%	0.85	80%	0.803	S	S	*	*			trans	89.2	150	177.2	-57.6	-63.3	-11.9	0	0	115
1105	P	27	Very low	24.3	Very low	109 Å²	109	135.4 Å²	135.4	71%	0.708	80%	0.8	S	S	*	*				-113.6	168	-124.2	41.1	-36.9	0	0	0	115.9	R1107	P1105-R1107 PolarHBondContact O-N 3Å; P1105-R1107 VanDerWaalsContact O-N 3.14Å
1106	I	23.9	Very low	24.2	Very low	159 Å²	159	135.8 Å²	135.8	82%	0.815	80%	0.797	S	S	*	*			trans	-63.2	108.4	176.1	-57.1	167.6	0	0	0	110.1	L1108	I1106-L1108 HydrophobicContact CG2-CD1 4.03Å
1107	R	21.9	Very low	24	Very low	231 Å²	231	134 Å²	134	87%	0.872	80%	0.798	S	S	*	*			trans	-98.2	111.9	165.5	-178.2	-178.1	-176.5	-173.4	1.6	108.1	P1105 T1109	P1105-R1107 PolarHBondContact O-N 3Å; P1105-R1107 VanDerWaalsContact O-N 3.14Å; R1107-T1109 PolarHBondContact O-N 3.01Å
1108	L	22.6	Very low	23.9	Very low	156 Å²	156	132 Å²	132	82%	0.817	80%	0.799	S	S	*	*			trans	-63.4	134	173.4	-91.4	77.3	0	0	0	110.2	I1106	I1106-L1108 HydrophobicContact CG2-CD1 4.03Å
1109	T	22.1	Very low	23.9	Very low	119 Å²	119	131.4 Å²	131.4	73%	0.73	80%	0.8	S	S	*	*			trans	-91	118.4	175.7	0.7	0	0	0	0	110.5	R1107 T1111	R1107-T1109 PolarHBondContact O-N 3.01Å; T1109-T1111 HydrophobicContact CG2-CG2 3.96Å
1110	T	20.2	Very low	23.9	Very low	147 Å²	147	130.8 Å²	130.8	90%	0.902	80%	0.801	S	S	*	*			trans	-106.6	111.3	150.2	33.9	0	0	0	0	107.7
1111	T	22.4	Very low	23.9	Very low	104 Å²	104	135.1 Å²	135.1	64%	0.638	80%	0.803	S	S	*	*			trans	-100.9	171.6	-178.9	34.8	0	0	0	0	111.4	T1109	T1109-T1111 HydrophobicContact CG2-CG2 3.96Å
1112	T	24.1	Very low	23.7	Very low	140 Å²	140	136.4 Å²	136.4	86%	0.859	80%	0.801	S	S	*	*			trans	72.6	132.5	-176.2	73.5	0	0	0	0	114.3
1113	S	25.6	Very low	23.9	Very low	109 Å²	109	139.7 Å²	139.7	76%	0.762	80%	0.799	S	S	*	*			cis	-156.8	142.5	-9.7	43.7	0	0	0	0	111.6
1114	S	23.6	Very low	23.8	Very low	113 Å²	113	138.3 Å²	138.3	79%	0.79	79%	0.791	S	S	*	*			trans	-69.1	147.9	171.5	-44	0	0	0	0	111.5
1115	P	28.1	Very low	23.6	Very low	113 Å²	113	135.2 Å²	135.2	73%	0.734	79%	0.787	S	S	*	*				-130.1	141.8	92.2	8.6	13.6	0	0	0	112.8
1116	S	21.5	Very low	23.7	Very low	102 Å²	102	137.1 Å²	137.1	71%	0.713	79%	0.786	S	S	*	*				61.4	82.3	79.6	-47.6	0	0	0	0	112.4
1117	S	21.2	Very low	23.9	Very low	116 Å²	116	136.3 Å²	136.3	81%	0.811	78%	0.784	S	S	*	*				92	100.1	76.9	65.1	0	0	0	0	114.4
1118	S	24.1	Very low	24	Very low	124 Å²	124	129.1 Å²	129.1	87%	0.867	78%	0.782	S	S	*	*			trans	-151.1	118.6	162.1	60.2	0	0	0	0	111.2
1119	S	21.2	Very low	24	Very low	118 Å²	118	125.3 Å²	125.3	83%	0.825	78%	0.78	S	S	*	*			trans	-86.8	141.2	176.2	52.8	0	0	0	0	112.4
1120	A	23.3	Very low	24.1	Very low	92 Å²	92	126 Å²	126	76%	0.76	78%	0.783	S	S	*	*				162.6	117.6	129.6	0	0	0	0	0	113.8
1121	K	26.8	Very low	24.2	Very low	183 Å²	183	124.8 Å²	124.8	80%	0.796	78%	0.781	S	S	*	*				169.6	125	117.3	-96.8	176.9	174.3	177.8	0	111.5	I1123	K1121-I1123 HydrophobicContact CD-CD1 4.45Å
1122	F	19.8	Very low	24.4	Very low	210 Å²	210	123.2 Å²	123.2	92%	0.921	79%	0.785	S	S	*	*			trans	-88.9	134.2	152.7	-83.5	-99.6	0	0	0	108
1123	I	29	Very low	24.3	Very low	145 Å²	145	124.7 Å²	124.7	74%	0.744	79%	0.788	S	S	*	*			trans	-137.1	142.4	160.4	-63.5	-174.5	0	0	0	107	K1121	K1121-I1123 HydrophobicContact CD-CD1 4.45Å
1124	N	23.4	Very low	24.4	Very low	132 Å²	132	127.4 Å²	127.4	71%	0.706	79%	0.792	S	S	*	*			trans	-73.5	157.2	-169.8	-91.4	-8.8	0	0	0	114.4
1125	P	24.8	Very low	24.4	Very low	117 Å²	117	128.4 Å²	128.4	76%	0.76	79%	0.793	S	S	*	*			trans	-74	143	155.1	33.9	-32.8	0	0	0	110.6
1126	H	27.8	Very low	24.1	Very low	149 Å²	149	128.5 Å²	128.5	69%	0.69	80%	0.795	S	S	*	*			trans	-152.7	140.5	170.2	-113.4	-92.4	0	0	0	109.3
1127	D	29.1	Very low	24.4	Very low	143 Å²	143	130.7 Å²	130.7	77%	0.765	80%	0.799	S	S	*	*			trans	47.2	144.3	156.5	-46.5	-38.9	0	0	0	120.3
1128	G	22.4	Very low	24.4	Very low	80 Å²	80	131.5 Å²	131.5	83%	0.825	80%	0.799	S	S	*	*			cis	116.9	102.4	2.9	0	0	0	0	0	112.1
1129	G	23	Very low	24.4	Very low	75 Å²	75	132.5 Å²	132.5	77%	0.773	79%	0.793	S	S	*	*			trans	165.5	75.8	178.1	0	0	0	0	0	118.6
1130	V	23.9	Very low	24.5	Very low	133 Å²	133	133.4 Å²	133.4	81%	0.806	79%	0.789	S	S	*	*			trans	25.1	128	134.8	-175.8	0	0	0	0	121.3
1131	S	23.8	Very low	24.5	Very low	123 Å²	123	135.3 Å²	135.3	86%	0.86	80%	0.796	S	S	*	*			trans	73.9	147.5	151	72.5	0	0	0	0	121.1
1132	G	25.6	Very low	24.4	Very low	70 Å²	70	132 Å²	132	72%	0.722	80%	0.796	S	S	*	*			trans	153.3	66.2	174.4	0	0	0	0	0	113.7	I1134	G1132-I1134 PolarHBondContact O-N 2.79Å
1133	D	23.2	Very low	24.6	Very low	172 Å²	172	128.5 Å²	128.5	92%	0.92	79%	0.792	S	S	*	*			trans	-67.1	119.9	174.4	-71.1	-61.3	0	0	0	111.1
1134	I	27.3	Very low	24.3	Very low	166 Å²	166	130 Å²	130	85%	0.851	80%	0.801	S	S	*	*			trans	-128.5	121.1	161.4	-59.3	-176	0	0	0	109.8	G1132	G1132-I1134 PolarHBondContact O-N 2.79Å
1135	V	24	Very low	24.3	Very low	133 Å²	133	129.9 Å²	129.9	81%	0.806	81%	0.805	S	S	*	*			trans	-29.6	144.3	174.5	179.9	0	0	0	0	116.3
1136	C	21.4	Very low	24.1	Very low	115 Å²	115	130.9 Å²	130.9	78%	0.777	81%	0.808	S	S	*	*			trans	-64.2	131.2	171.4	-50.9	0	0	0	0	112.6
1137	D	26.4	Very low	24	Very low	149 Å²	149	128.2 Å²	128.2	80%	0.797	81%	0.807	S	S	*	*			trans	-113.5	134	157.8	-104.6	-43.9	0	0	0	110.2
1138	V	22	Very low	23.6	Very low	133 Å²	133	126.3 Å²	126.3	81%	0.806	81%	0.805	S	S	*	*			trans	-119.5	94.4	-178.5	178.4	0	0	0	0	108.5
1139	I	24.9	Very low	23.8	Very low	145 Å²	145	130.8 Å²	130.8	74%	0.744	80%	0.804	S	S	*	*			trans	-125.5	108	177.4	-58.5	-176	0	0	0	111
1140	N	23.1	Very low	23.8	Very low	137 Å²	137	132.4 Å²	132.4	73%	0.733	80%	0.803	S	S	*	*			trans	15.6	114.5	156.4	-65.6	-21.3	0	0	0	120.1	S1142	N1140-S1142 PolarHBondContact O-N 2.86Å
1141	S	22	Very low	23.9	Very low	131 Å²	131	134.2 Å²	134.2	92%	0.916	81%	0.809	S	S	*	*			trans	-12	112.9	136.5	-51.2	0	0	0	0	115
1142	S	26.3	Very low	23.9	Very low	113 Å²	113	136.2 Å²	136.2	79%	0.79	80%	0.804	S	S	*	*			trans	-115.7	127.1	163.7	-70.2	0	0	0	0	109.3	N1140 L1144	N1140-S1142 PolarHBondContact O-N 2.86Å; S1142-L1144 PolarHBondContact O-N 3.21Å
1143	T	23	Very low	24	Very low	138 Å²	138	138.9 Å²	138.9	85%	0.847	81%	0.812	S	S	*	*			trans	-45.7	117.5	-177.9	45.6	0	0	0	0	113.9
1144	L	23.3	Very low	23.8	Very low	176 Å²	176	140.2 Å²	140.2	92%	0.921	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-81.1	136	161.7	-142.4	81.9	0	0	0	109.4	S1142	S1142-L1144 PolarHBondContact O-N 3.21Å
1145	T	22.2	Very low	23.7	Very low	129 Å²	129	140.7 Å²	140.7	79%	0.791	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-81.2	150.3	-169	38.1	0	0	0	0	113.9	S1147	T1145-S1147 PolarHBondContact O-N 2.85Å
1146	V	21.7	Very low	23.7	Very low	138 Å²	138	138.4 Å²	138.4	84%	0.836	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-72.8	116.7	172.9	178	0	0	0	0	109.4
1147	S	24.6	Very low	23.9	Very low	94 Å²	94	141.2 Å²	141.2	66%	0.657	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-96.7	120.1	163.8	176.8	0	0	0	0	109.1	T1145 H1149	T1145-S1147 PolarHBondContact O-N 2.85Å; S1147-H1149 PolarHBondContact OG-CD2 3.39Å
1148	S	22.2	Very low	23.7	Very low	103 Å²	103	141.6 Å²	141.6	72%	0.72	81%	0.805	S	S	*	*			trans	-106.3	97	-178	40.7	0	0	0	0	111
1149	H	26.7	Very low	23.8	Very low	173 Å²	173	146.5 Å²	146.5	80%	0.801	81%	0.81	S	S	*	*			trans	-116.9	106.3	170.2	-71.8	-54.8	0	0	0	111.3	S1147	S1147-H1149 PolarHBondContact OG-CD2 3.39Å
1150	S	22	Very low	23.7	Very low	110 Å²	110	145.1 Å²	145.1	77%	0.769	81%	0.813	S	S	*	*			trans	-68.2	141	168.8	47.9	0	0	0	0	111.5
1151	N	27	Very low	23.9	Very low	171 Å²	171	145.2 Å²	145.2	91%	0.914	82%	0.818	S	S	*	*			trans	-152	148.8	148	-102.4	-41.5	0	0	0	110.4
1152	E	22.5	Very low	24	Very low	164 Å²	164	148.1 Å²	148.1	77%	0.766	81%	0.814	S	S	*	*			trans	-82.4	151.9	-169	-54.7	-172.2	117.3	0	0	113.5
1153	S	27.3	Very low	23.7	Very low	127 Å²	127	147.7 Å²	147.7	89%	0.888	81%	0.811	S	S	*	*			trans	-158.7	117.6	142.2	-85.7	0	0	0	0	110.6
1154	R	19.9	Very low	23.9	Very low	200 Å²	200	148.4 Å²	148.4	76%	0.755	81%	0.808	S	S	*	*			trans	-91	126.6	-173.8	-66.4	157.7	57.8	-174.1	0.1	111.1
1155	L	24.3	Very low	24	Very low	176 Å²	176	146 Å²	146	92%	0.921	80%	0.801	S	S	*	*			trans	-128.9	86.5	157.7	-78.8	179.4	0	0	0	110.5	L1157	L1155-L1157 PolarHBondContact O-N 3.26Å
1156	S	23.9	Very low	24.1	Very low	84 Å²	84	142.7 Å²	142.7	59%	0.587	79%	0.793	S	S	*	*			trans	-78.9	92.5	-178.6	-53.3	0	0	0	0	111.3	N1158	S1156-N1158 VanDerWaalsContact C-N 3.33Å; S1156-N1158 PolarHBondContact O-N 3.06Å
1157	L	25.5	Very low	24.3	Very low	175 Å²	175	144.7 Å²	144.7	92%	0.916	79%	0.793	S	S	*	*			trans	-76.7	82.9	173.4	-103.9	165.5	0	0	0	111.1	L1155 R1159	L1155-L1157 PolarHBondContact O-N 3.26Å; L1157-R1159 PolarHBondContact O-N 2.7Å; L1157-R1159 VanDerWaalsContact O-N 3.11Å
1158	N	22.8	Very low	24.3	Very low	156 Å²	156	147.7 Å²	147.7	83%	0.834	80%	0.797	S	S	*	*			trans	-60.1	109.4	174.9	-71.7	-30.4	0	0	0	111.1	S1156	S1156-N1158 VanDerWaalsContact C-N 3.33Å; S1156-N1158 PolarHBondContact O-N 3.06Å
1159	R	25.1	Very low	24.5	Very low	237 Å²	237	150.9 Å²	150.9	89%	0.894	81%	0.805	S	S	*	*			trans	-129.5	100.3	160.7	-159	175.2	-164.5	-157.1	1	110.1	L1157 V1161	L1157-R1159 PolarHBondContact O-N 2.7Å; L1157-R1159 VanDerWaalsContact O-N 3.11Å; R1159-V1161 PolarHBondContact O-N 3.1Å; R1159-V1161 VanDerWaalsContact O-N 3.13Å
1160	S	23	Very low	24.4	Very low	116 Å²	116	147.7 Å²	147.7	81%	0.811	79%	0.793	S	S	*	*			trans	-67.5	105.3	180	42.9	0	0	0	0	111.5
1161	V	26.3	Very low	24.6	Very low	138 Å²	138	152.5 Å²	152.5	84%	0.836	80%	0.8	S	S	*	*			trans	-78.1	115.6	156.6	-179.2	0	0	0	0	106.3	R1159 S1163	R1159-V1161 PolarHBondContact O-N 3.1Å; R1159-V1161 VanDerWaalsContact O-N 3.13Å; V1161-S1163 PolarHBondContact O-N 3.12Å
1162	K	24.2	Very low	24.5	Very low	192 Å²	192	151.9 Å²	151.9	84%	0.835	79%	0.792	S	S	*	*			trans	-67.9	118.9	175.7	-80.1	-171.9	173	-174	0	109.2
1163	S	21	Very low	24.8	Very low	105 Å²	105	154.3 Å²	154.3	73%	0.734	80%	0.8	S	S	*	*			trans	-68	129.7	165.5	40	0	0	0	0	110.4	V1161	V1161-S1163 PolarHBondContact O-N 3.12Å
1164	I	27	Very low	24.7	Very low	152 Å²	152	152.3 Å²	152.3	78%	0.779	79%	0.786	S	S	*	*			trans	-124.3	87.8	154.9	-59.4	176.7	0	0	0	102.9
1165	T	24.5	Very low	24.9	Very low	125 Å²	125	150.8 Å²	150.8	77%	0.767	79%	0.792	S	S	*	*				50.2	71.3	88.9	69.7	0	0	0	0	112.1
1166	G	24.8	Very low	24.9	Very low	61 Å²	61	146.9 Å²	146.9	63%	0.629	78%	0.779	S	S	*	*			trans	-134.3	138.6	156.7	0	0	0	0	0	107.6
1167	E	26.4	Very low	24.8	Very low	179 Å²	179	149.4 Å²	149.4	84%	0.836	79%	0.791	S	S	*	*			trans	-58.4	134.7	-174.6	-61.5	95.8	157.3	0	0	111.1
1168	Q	23.2	Very low	24.8	Very low	157 Å²	157	147.8 Å²	147.8	73%	0.734	78%	0.782	S	S	*	*				56	58.8	59.4	-158.5	178.9	-2.3	0	0	113.5	I1170	Q1168-I1170 HydrophobicContact CG-CD1 4.14Å; Q1168-I1170 HydrophobicContact CG-CG1 4.23Å
1169	L	27.5	Very low	24.8	Very low	170 Å²	170	144.1 Å²	144.1	89%	0.89	77%	0.773	S	S	*	*			trans	-106.9	109.9	149	-80.8	174	0	0	0	109.5
1170	I	23.7	Very low	25	Very low	107 Å²	107	140.3 Å²	140.3	55%	0.549	77%	0.769	S	S	.	*			trans	-92.9	129.1	178.9	-63.7	168.7	0	0	0	107.9	Q1168 E1172	Q1168-I1170 HydrophobicContact CG-CD1 4.14Å; Q1168-I1170 HydrophobicContact CG-CG1 4.23Å; I1170-E1172 HydrophobicContact CG2-CG 3.79Å
1171	F	27.4	Very low	25.1	Very low	210 Å²	210	140.8 Å²	140.8	92%	0.921	76%	0.762	S	S	*	*			trans	-128.5	87.3	156.7	-103.1	-75.7	0	0	0	109.3	K1173	F1171-K1173 PolarHBondContact O-N 3.49Å
1172	E	24.8	Very low	25.3	Very low	159 Å²	159	140.7 Å²	140.7	74%	0.743	76%	0.757	S	S	*	*			trans	-65.9	125.7	163.7	-69.7	176.3	126.9	0	0	108.8	I1170	I1170-E1172 HydrophobicContact CG2-CG 3.79Å
1173	K	29.1	Very low	25.6	Very low	215 Å²	215	137.8 Å²	137.8	94%	0.935	75%	0.751	S	S	*	*			trans	-131.3	80.5	154.9	-135.9	175	-173.1	179.1	0	108.4	F1171	F1171-K1173 PolarHBondContact O-N 3.49Å
1174	S	25.2	Very low	25.9	Very low	85 Å²	85	140.6 Å²	140.6	59%	0.594	76%	0.758	S	S	*	*			trans	-84	149.5	-177.1	47.5	0	0	0	0	111.3
1175	L	22.9	Very low	25.9	Very low	168 Å²	168	137 Å²	137	88%	0.88	76%	0.758	S	S	*	*			trans	67	157.7	164	-59.3	160	0	0	0	115.4
1176	S	24.8	Very low	26	Very low	94 Å²	94	139 Å²	139	66%	0.657	76%	0.764	S	S	*	*			cis	-139	150	-3	45.4	0	0	0	0	111.3
1177	T	21.3	Very low	26.2	Very low	136 Å²	136	143.1 Å²	143.1	83%	0.834	78%	0.777	S	S	*	*			trans	-67.2	128.4	163.1	-54.4	0	0	0	0	109.7
1178	I	26.4	Very low	26.1	Very low	141 Å²	141	142.9 Å²	142.9	72%	0.723	78%	0.776	S	S	*	*			trans	-108.2	117	159.1	-63.5	178.9	0	0	0	106.9	I1180	I1178-I1180 HydrophobicContact CG2-CG1 4.38Å
1179	A	22.4	Very low	26.3	Very low	79 Å²	79	141.9 Å²	141.9	65%	0.653	78%	0.781	S	S	*	*			trans	-86.8	133.4	170.8	0	0	0	0	0	109.1
1180	I	30.4	Very low	26.1	Very low	158 Å²	158	141.3 Å²	141.3	81%	0.81	78%	0.779	S	S	*	*			trans	-118.9	111.1	164.5	-60	179.3	0	0	0	105.4	I1178	I1178-I1180 HydrophobicContact CG2-CG1 4.38Å
1181	N	24.5	Very low	26.3	Very low	125 Å²	125	141.9 Å²	141.9	67%	0.668	79%	0.787	S	S	*	*			trans	-88.3	-177.4	169.2	-68	-17.5	0	0	0	109
1182	N	30.5	Very low	26.2	Very low	136 Å²	136	138.3 Å²	138.3	73%	0.727	78%	0.783	S	S	*	*			trans	78.7	142.6	171	-51.6	42.8	0	0	0	114.8
1183	D	29.2	Very low	26.3	Very low	131 Å²	131	138.7 Å²	138.7	70%	0.701	79%	0.786	S	S	*	*			cis	-158.2	179.7	-20.9	-98.8	-30.3	0	0	0	108.7
1184	D	27.7	Very low	26.1	Very low	165 Å²	165	137.2 Å²	137.2	88%	0.882	78%	0.783	S	S	*	*			trans	-43.1	144.9	-178.5	-60.5	-53.5	0	0	0	117
1185	G	28.1	Very low	26.2	Very low	77 Å²	77	139.6 Å²	139.6	79%	0.794	79%	0.794	S	S	*	*			trans	-178.2	89.5	170.7	0	0	0	0	0	115.1
1186	N	25.8	Very low	26.4	Very low	165 Å²	165	139.6 Å²	139.6	88%	0.882	80%	0.795	S	S	*	*			trans	-78	127.3	168	-63.7	-56.6	0	0	0	110.9
1187	T	29.6	Very low	26.4	Very low	148 Å²	148	140.2 Å²	140.2	91%	0.908	80%	0.799	S	S	*	*			trans	-163.3	159.3	138.1	15.3	0	0	0	0	111.7
1188	E	24.4	Very low	26.8	Very low	175 Å²	175	139.2 Å²	139.2	82%	0.818	80%	0.798	S	S	*	*			trans	-96.6	-174	-177	-56.9	173.9	115.8	0	0	112.6
1189	T	27.3	Very low	26.9	Very low	135 Å²	135	139.7 Å²	139.7	83%	0.828	80%	0.802	S	S	*	*			trans	83.5	135.6	162.3	62.3	0	0	0	0	120.1
1190	D	23.7	Very low	27.2	Very low	158 Å²	158	142.9 Å²	142.9	85%	0.845	81%	0.808	S	S	*	*			trans	-53.9	136.2	-176.9	-66	-78.2	0	0	0	115.3
1191	V	27.9	Very low	27.2	Very low	119 Å²	119	144.5 Å²	144.5	72%	0.721	81%	0.811	S	S	*	*			trans	-128	109.4	154	-175.3	0	0	0	0	108.7	M1193	V1191-M1193 HydrophobicContact CG1-CG 4.02Å; V1191-M1193 HydrophobicContact CG1-SD 3.88Å; V1191-M1193 PolarHBondContact O-N 3.01Å; V1191-M1193 VanDerWaalsContact O-N 3.13Å
1192	T	23.7	Very low	27.6	Very low	135 Å²	135	146.3 Å²	146.3	83%	0.828	82%	0.816	S	S	*	*			trans	-72.2	100.2	171.8	49.2	0	0	0	0	109.9
1193	M	27.6	Very low	27.4	Very low	167 Å²	167	148.8 Å²	148.8	82%	0.823	83%	0.825	S	S	*	*			trans	-92.6	146.4	174.4	-69.8	-61.5	-69.1	0	0	112.1	V1191	V1191-M1193 HydrophobicContact CG1-CG 4.02Å; V1191-M1193 HydrophobicContact CG1-SD 3.88Å; V1191-M1193 PolarHBondContact O-N 3.01Å; V1191-M1193 VanDerWaalsContact O-N 3.13Å
1194	E	24.7	Very low	27.6	Very low	185 Å²	185	148.9 Å²	148.9	86%	0.864	83%	0.825	S	S	*	*			trans	-80.5	160.8	-166.5	-60.1	-179.5	121.9	0	0	114.7	N1196	E1194-N1196 PolarHBondContact O-N 2.88Å
1195	T	26.3	Very low	27.7	Very low	134 Å²	134	148.3 Å²	148.3	82%	0.822	82%	0.822	S	S	*	*			trans	-73.3	114.9	178.8	48.6	0	0	0	0	112.6
1196	N	27.8	Very low	27.7	Very low	169 Å²	169	152.9 Å²	152.9	90%	0.904	82%	0.822	S	S	*	*			trans	-97.6	113.4	160	-93.7	-47.1	0	0	0	110.3	E1194	E1194-N1196 PolarHBondContact O-N 2.88Å
1197	S	25.6	Very low	27.8	Very low	107 Å²	107	152.4 Å²	152.4	75%	0.748	82%	0.818	S	S	*	*			trans	-87.8	128.6	174.9	-65.2	0	0	0	0	110.7
1198	S	29.5	Very low	27.7	Very low	115 Å²	115	150.6 Å²	150.6	80%	0.804	81%	0.807	S	S	*	*			trans	-160.3	142	162.7	-85.4	0	0	0	0	113.9
1199	N	28.7	Very low	28	Very low	150 Å²	150	149 Å²	149	80%	0.802	80%	0.803	S	S	*	*			trans	59.3	89	159.9	-64.1	-8.2	0	0	0	119.4
1200	N	29.1	Very low	28.3	Very low	147 Å²	147	148.8 Å²	148.8	79%	0.786	80%	0.795	S	S	*	*			trans	-49.5	143.8	142.5	-70.7	-38.9	0	0	0	111.5
1201	H	29.5	Very low	28.6	Very low	191 Å²	191	147.3 Å²	147.3	88%	0.884	79%	0.787	S	S	*	*			trans	-137.5	91.4	148.6	-98.7	48.8	0	0	0	107.7
1202	Q	32.1	Very low	29	Very low	164 Å²	164	149 Å²	149	77%	0.766	79%	0.792	S	S	*	*			trans	-113.7	113.1	167.6	-84.4	-174.8	-23.1	0	0	108.1
1203	M	27.4	Very low	29.5	Very low	187 Å²	187	148.8 Å²	148.8	92%	0.921	79%	0.786	S	S	*	*			trans	-74.5	125.7	164	-77.8	-179.7	157.3	0	0	108.5
1204	I	32.4	Very low	29.8	Very low	134 Å²	134	147.4 Å²	147.4	69%	0.687	78%	0.782	S	S	*	*			trans	-119.1	98.2	172.9	-61.1	174.7	0	0	0	105.5	Q1206	I1204-Q1206 PolarHBondContact O-N 3.04Å
1205	D	30.3	Very low	30.2	Very low	153 Å²	153	145 Å²	145	82%	0.818	78%	0.775	S	S	*	*			trans	-66.5	121.6	175.1	-76.7	-41.1	0	0	0	109.7	I1207	D1205-I1207 PolarHBondContact O-N 2.76Å
1206	Q	28.1	Very low	30.7	Very low	173 Å²	173	145.6 Å²	145.6	81%	0.808	77%	0.773	S	S	*	*			trans	-85.7	109.8	-177.2	-62.2	177.1	11	0	0	109.4	I1204 T1208	I1204-Q1206 PolarHBondContact O-N 3.04Å; Q1206-T1208 PolarHBondContact O-N 3.11Å
1207	I	28.5	Very low	30.9	Very low	155 Å²	155	143.9 Å²	143.9	80%	0.795	76%	0.764	S	S	*	*			trans	-91.4	94	167	-58.6	-179.9	0	0	0	107.6	D1205 I1209	D1205-I1207 PolarHBondContact O-N 2.76Å; I1207-I1209 PolarHBondContact O-N 3.12Å
1208	T	27.1	Very low	31.2	Very low	110 Å²	110	145.3 Å²	145.3	68%	0.675	76%	0.763	S	S	*	*			trans	-67.2	114.7	175	-51.8	0	0	0	0	109.9	Q1206 I1210	Q1206-T1208 PolarHBondContact O-N 3.11Å; T1208-I1210 HydrophobicContact CG2-CG1 4.37Å
1209	I	29.7	Very low	31.5	Very low	141 Å²	141	146.6 Å²	146.6	72%	0.723	77%	0.767	S	S	*	*			trans	-85.1	130	164.9	-59.7	174.2	0	0	0	106.6	I1207	I1207-I1209 PolarHBondContact O-N 3.12Å
1210	I	34	Very low	31.6	Very low	131 Å²	131	147.2 Å²	147.2	67%	0.672	76%	0.764	S	S	*	*			trans	-100.6	115.4	177.5	-61	176.3	0	0	0	107.2	T1208 D1212	T1208-I1210 HydrophobicContact CG2-CG1 4.37Å; I1210-D1212 PolarHBondContact O-N 2.97Å
1211	D	31.3	Very low	31.5	Very low	127 Å²	127	146.5 Å²	146.5	68%	0.679	76%	0.761	S	S	*	*			trans	-82.2	94.3	176.3	-70.8	-39.9	0	0	0	110.2	N1213	D1211-N1213 PolarHBondContact O-N 3.16Å
1212	D	35.7	Very low	31.6	Very low	155 Å²	155	145.1 Å²	145.1	83%	0.829	76%	0.76	S	S	*	*			trans	-72.6	68.7	167.6	-79.8	-32.2	0	0	0	110.6	I1210 N1214	I1210-D1212 PolarHBondContact O-N 2.97Å; D1212-N1214 PolarHBondContact O-N 3.12Å
1213	N	33.2	Very low	31.2	Very low	130 Å²	130	147.7 Å²	147.7	70%	0.695	76%	0.762	S	S	*	*			trans	-70.7	109	169.1	-70.6	-53.6	0	0	0	109.5	D1211	D1211-N1213 PolarHBondContact O-N 3.16Å
1214	N	34.1	Very low	31.2	Very low	137 Å²	137	145.2 Å²	145.2	73%	0.733	75%	0.753	S	S	*	*			trans	-122	81.9	167.3	-174.3	13.3	0	0	0	109.3	D1212 N1216	D1212-N1214 PolarHBondContact O-N 3.12Å; N1214-N1216 PolarHBondContact O-N 2.8Å
1215	D	33.5	Very low	31	Very low	135 Å²	135	147.2 Å²	147.2	72%	0.722	76%	0.759	S	S	*	*			trans	-59.5	126.6	174.5	-65.3	-61.7	0	0	0	110.5
1216	N	37.1	Very low	31.1	Very low	146 Å²	146	147.4 Å²	147.4	78%	0.781	76%	0.758	S	S	*	*			trans	-134.7	134.1	161.1	-101.5	-78.3	0	0	0	109.8	N1214	N1214-N1216 PolarHBondContact O-N 2.8Å
1217	N	31.6	Very low	31	Very low	134 Å²	134	146.7 Å²	146.7	72%	0.717	76%	0.76	S	S	*	*			trans	-81.9	161.7	-159.2	-79.9	-6.8	0	0	0	114.5
1218	D	32	Very low	31	Very low	136 Å²	136	148.4 Å²	148.4	73%	0.727	76%	0.762	S	S	*	*			trans	40.5	119.9	143.7	-55.6	-36.1	0	0	0	119.2
1219	T	35.5	Very low	30.9	Very low	143 Å²	143	146.8 Å²	146.8	88%	0.877	77%	0.767	S	S	*	*				-168	158.9	98.4	18.4	0	0	0	0	115.1
1220	H	30.4	Very low	30.8	Very low	162 Å²	162	147.2 Å²	147.2	75%	0.75	77%	0.77	S	S	*	*			trans	-34.5	151.5	-179.8	-88.2	-73.4	0	0	0	121.1
1221	D	27.9	Very low	30.4	Very low	133 Å²	133	148.9 Å²	148.9	71%	0.711	78%	0.78	S	S	*	*			trans	-4.1	128.7	138.3	-50.8	-86	0	0	0	117.8
1222	N	31.4	Very low	30.3	Very low	162 Å²	162	148.5 Å²	148.5	87%	0.866	78%	0.783	S	S	*	*				-152.8	153.4	122.6	-129.6	-39.1	0	0	0	114.2
1223	R	23.3	Very low	30.1	Very low	218 Å²	218	147.3 Å²	147.3	82%	0.823	78%	0.781	S	S	*	*			trans	-92.5	130	166.8	-70.9	174	157.3	119.1	-10.1	108.8
1224	N	28.8	Very low	29.8	Very low	135 Å²	135	149.5 Å²	149.5	72%	0.722	79%	0.787	S	S	*	*				161.4	138.8	122.7	-80.7	-15.5	0	0	0	113.3
1225	E	27.8	Very low	29.6	Very low	176 Å²	176	151.7 Å²	151.7	82%	0.822	79%	0.792	S	S	*	*			trans	30.1	85.6	141.6	-53.5	-169.8	137.5	0	0	120
1226	I	32.6	Very low	29.6	Very low	156 Å²	156	152.2 Å²	152.2	80%	0.8	80%	0.795	S	S	*	*			trans	-123.5	73.5	147.9	-52.4	-176.6	0	0	0	109.8	K1228	I1226-K1228 VanDerWaalsContact C-N 3.31Å; I1226-K1228 PolarHBondContact O-N 2.84Å; I1226-K1228 VanDerWaalsContact O-N 3.11Å
1227	N	26.3	Very low	29.2	Very low	158 Å²	158	153.5 Å²	153.5	85%	0.845	80%	0.802	S	S	*	*			trans	-77.4	79.7	162.8	-89.7	-38.9	0	0	0	109.5
1228	K	28.1	Very low	29.3	Very low	192 Å²	192	153.4 Å²	153.4	84%	0.835	81%	0.806	S	S	*	*			trans	-167.8	135.9	167.4	-109.4	153	-173.7	175.7	0	112.3	I1226	I1226-K1228 VanDerWaalsContact C-N 3.31Å; I1226-K1228 PolarHBondContact O-N 2.84Å; I1226-K1228 VanDerWaalsContact O-N 3.11Å
1229	G	24.8	Very low	29.3	Very low	76 Å²	76	149.7 Å²	149.7	78%	0.784	80%	0.8	S	S	*	*			trans	89.6	66	155.9	0	0	0	0	0	117.6
1230	L	27.5	Very low	29.1	Very low	150 Å²	150	150.6 Å²	150.6	79%	0.785	80%	0.8	S	S	*	*			trans	-148.9	36.2	154.4	-114.3	162.2	0	0	0	112.8	T1232	L1230-T1232 PolarHBondContact O-N 3.3Å
1231	N	26.2	Very low	29.7	Very low	166 Å²	166	149.6 Å²	149.6	89%	0.888	80%	0.8	S	S	*	*			trans	-89	70.4	167.6	-82.7	4.9	0	0	0	110.2
1232	T	28.8	Very low	30.6	Very low	119 Å²	119	151.6 Å²	151.6	73%	0.73	81%	0.805	S	S	*	*			trans	-155.1	57.6	170.7	18.9	0	0	0	0	109.9	L1230	L1230-T1232 PolarHBondContact O-N 3.3Å
1233	V	30.5	Very low	31.5	Very low	129 Å²	129	149.8 Å²	149.8	78%	0.782	80%	0.795	S	S	*	*			trans	-85.8	118.5	155.4	178.9	0	0	0	0	106	H1235	V1233-H1235 PolarHBondContact O-N 3.38Å
1234	E	27.6	Very low	33.8	Very low	177 Å²	177	147.2 Å²	147.2	83%	0.827	79%	0.793	S	S	*	*			trans	-64.2	127.8	-173.5	-63.2	173.5	132.2	0	0	110.2	D1236	E1234-D1236 PolarHBondContact O-N 3.06Å
1235	H	31	Very low	36.5	Very low	182 Å²	182	143.3 Å²	143.3	84%	0.843	77%	0.772	S	S	*	*			trans	-77.8	104.3	170.5	-87.3	-108.5	0	0	0	108.2	V1233 N1237	V1233-H1235 PolarHBondContact O-N 3.38Å; H1235-N1237 PolarHBondContact O-N 3.02Å
1236	D	31.9	Very low	39.2	Very low	147 Å²	147	137.4 Å²	137.4	79%	0.786	75%	0.747	S	S	*	*			trans	-50.8	121.2	171	-84	-48.9	0	0	0	110.3	E1234 V1238	E1234-D1236 PolarHBondContact O-N 3.06Å; D1236-V1238 HydrophobicContact CB-CG2 4.27Å; D1236-V1238 PolarHBondContact O-N 3.1Å
1237	N	29.2	Very low	42	Very low	173 Å²	173	134.2 Å²	134.2	93%	0.925	74%	0.735	S	S	*	*			trans	-69.1	86.9	-179.5	-82.3	-59.2	0	0	0	111	H1235	H1235-N1237 PolarHBondContact O-N 3.02Å
1238	V	34.4	Very low	45.1	Very low	131 Å²	131	127 Å²	127	79%	0.794	70%	0.696	S	S	*	*			trans	-118.9	107.7	178.2	-178.3	0	0	0	0	110.5	D1236	D1236-V1238 HydrophobicContact CB-CG2 4.27Å; D1236-V1238 PolarHBondContact O-N 3.1Å
1239	G	31.7	Very low	48	Very low	59 Å²	59	123.1 Å²	123.1	61%	0.608	69%	0.691	S	S	*	*			trans	91.9	110.7	172.4	0	0	0	0	0	113.2	D1241	G1239-D1241 PolarHBondContact O-N 3.07Å; G1239-D1241 VanDerWaalsContact O-N 3.11Å
1240	N	31.4	Very low	50.9	Low	162 Å²	162	125.5 Å²	125.5	87%	0.866	68%	0.683	S	S	*	*			trans	-85.4	52.3	168.8	-167.3	100.7	0	0	0	109.3
1241	D	43.4	Very low	54	Low	140 Å²	140	120.7 Å²	120.7	75%	0.749	66%	0.662	S	S	*	*			trans	-82.9	136.4	172.6	-71.4	-27.5	0	0	0	108.1	G1239 D1243	G1239-D1241 PolarHBondContact O-N 3.07Å; G1239-D1241 VanDerWaalsContact O-N 3.11Å; D1241-D1243 PolarHBondContact O-N 2.77Å; D1241-D1243 VanDerWaalsContact O-N 3.11Å
1242	E	46.3	Very low	57.1	Low	175 Å²	175	121.7 Å²	121.7	82%	0.818	66%	0.661	S	S	*	*			trans	-73.3	105.9	-174.3	-66.2	166.4	145.8	0	0	109.2	E1244	E1242-E1244 PolarHBondContact O-N 3.05Å
1243	D	51.1	Low	60.2	Low	125 Å²	125	119.9 Å²	119.9	67%	0.668	64%	0.643	S	S	*	*			trans	-65.8	73.6	-179.2	-83.7	-34.3	0	0	0	112.1	D1241 D1245 K1256	D1241-D1243 PolarHBondContact O-N 2.77Å; D1241-D1243 VanDerWaalsContact O-N 3.11Å; D1243-D1245 PolarHBondContact O-N 3.13Å; D1243-K1256 PolarHBondContact O-NZ 2.82Å
1244	E	71.5	Confident	63.1	Low	164 Å²	164	118.9 Å²	118.9	77%	0.766	63%	0.63	S	S	*	*			trans	-55.9	119.6	166.3	-72.6	-72.7	171.9	0	0	109.9	E1242 V1246	E1242-E1244 PolarHBondContact O-N 3.05Å; E1244-V1246 PolarHBondContact O-N 2.79Å
1245	D	85	Confident	66.2	Low	53 Å²	53	111.5 Å²	111.5	28%	0.283	60%	0.598	S	S	.	*			trans	-59.4	133.2	178.9	-80.5	6.7	0	0	0	110.3	D1243 V1247 H1254 K1256	D1243-D1245 PolarHBondContact O-N 3.13Å; D1245-V1247 WeakPolarHBondContact O-CG2 3.38Å; D1245-V1247 PolarHBondContact O-N 3.36Å; D1245-V1247 VanDerWaalsContact O-N 3.14Å; D1245-H1254 HydrophobicContact CB-CB 4.12Å; D1245-H1254 IonicContact OD2-CE1 3.51Å; D1245-H1254 IonicContact OD2-CG 2.66Å; D1245-H1254 IonicContact OD2-ND1 2.78Å; D1245-H1254 PolarHBondContact OD2-ND1 3.03Å; D1245-K1256 WeakPolarHBondContact OD1-CE 3.16Å; D1245-K1256 WeakPolarHBondContact OD1-CG 3.34Å; D1245-K1256 IonicContact OD1-NZ 3.19Å; D1245-K1256 PolarHBondContact OD1-NZ 3.48Å
1246	V	83.5	Confident	69	Low	52 Å²	52	108.5 Å²	108.5	32%	0.315	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.3	113.6	177.3	-174.3	0	0	0	0	107.9	E1244 H1254 S1255 R1258 V1261	E1244-V1246 PolarHBondContact O-N 2.79Å; V1246-H1254 WeakPolarHBondContact O-CA 3.18Å; V1246-S1255 WeakPolarHBondContact CA-O 3.24Å; V1246-S1255 WeakPolarHBondContact CB-O 3.47Å; V1246-S1255 PolarHBondContact N-O 3.42Å; V1246-S1255 PolarHBondContact O-N 2.92Å; V1246-R1258 HydrophobicContact CG2-CB 4.34Å; V1246-V1261 HydrophobicContact CB-CG2 3.9Å; V1246-V1261 HydrophobicContact CG1-CB 4.32Å; V1246-V1261 HydrophobicContact CG1-CG1 4.35Å; V1246-V1261 HydrophobicContact CG1-CG2 3.96Å; V1246-V1261 WeakPolarHBondContact O-CG2 3.27Å
1247	V	91.3	Very high	71.8	Confident	88 Å²	88	106.2 Å²	106.2	53%	0.533	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.8	143.1	179.8	-165.6	0	0	0	0	110.8	D1245 H1254	D1245-V1247 WeakPolarHBondContact O-CG2 3.38Å; D1245-V1247 PolarHBondContact O-N 3.36Å; D1245-V1247 VanDerWaalsContact O-N 3.14Å; V1247-H1254 HydrophobicContact CB-CB 4.4Å; V1247-H1254 HydrophobicContact CG1-CB 4.41Å; V1247-H1254 HydrophobicContact CG2-CB 4.08Å
1248	C	93	Very high	74.6	Confident	6 Å²	6	106.1 Å²	106.1	4%	0.041	56%	0.556	C	S	.	*			trans	-63.8	131.6	169.1	-177	0	0	0	0	110.3	M1250 F1253 V1261 H1264	C1248-M1250 PolarHBondContact O-N 3.13Å; C1248-M1250 VanDerWaalsContact O-N 3.14Å; C1248-F1253 HydrophobicContact CB-CB 4.15Å; C1248-F1253 VanDerWaalsContact CB-O 3.31Å; C1248-F1253 WeakPolarHBondContact CB-O 3.29Å; C1248-F1253 PolarHBondContact N-O 2.78Å; C1248-V1261 HydrophobicContact CB-CG1 4.2Å; C1248-H1264 VanDerWaalsContact SG-CD2 3.55Å; C1248-H1264 PolarHBondContact SG-NE2 3.15Å
1249	P	88.4	Confident	77.4	Confident	111 Å²	111	103.2 Å²	103.2	72%	0.721	54%	0.542	S	S	*	.	S	Bend	trans	-75.5	1.7	179.7	32.2	-36	0	0	0	113.8	I1265	P1249-I1265 HydrophobicContact CG-CD1 4.32Å
1250	M	85.5	Confident	80.4	Confident	126 Å²	126	103.4 Å²	103.4	62%	0.621	53%	0.529	S	S	*	.	S	Bend	trans	-123.3	-20.5	-170.4	-70.6	-84.7	-77.1	0	0	113.5	C1248 H1269	C1248-M1250 PolarHBondContact O-N 3.13Å; C1248-M1250 VanDerWaalsContact O-N 3.14Å; M1250-H1269 WeakPolarHBondContact CB-CD2 3.43Å; M1250-H1269 WeakPolarHBondContact CB-NE2 3.48Å; M1250-H1269 HydrophobicContact CE-CB 3.86Å
1251	C	92.5	Very high	83.3	Confident	50 Å²	50	95.8 Å²	95.8	34%	0.338	49%	0.488	S	S	.	.	S	Bend	trans	-156.1	-177.6	173.6	74.7	0	0	0	0	111.1	F1253 H1264 H1269	C1251-F1253 PolarHBondContact O-N 3.05Å; C1251-H1264 VanDerWaalsContact SG-CE1 3.52Å; C1251-H1264 PolarHBondContact SG-NE2 3.43Å; C1251-H1269 PolarHBondContact SG-NE2 3.36Å; C1251-H1269 VanDerWaalsContact SG-NE2 3.43Å
1252	E	90.7	Very high	85.6	Confident	186 Å²	186	93.4 Å²	93.4	87%	0.869	47%	0.473	S	S	*	.	S	Bend	trans	-78.8	6.8	-173.9	-61.5	178.2	167.9	0	0	114.8	H1254	E1252-H1254 PolarHBondContact O-CD2 3.25Å
1253	F	93.6	Very high	87.8	Confident	82 Å²	82	89.5 Å²	89.5	36%	0.36	46%	0.455	S	S	.	.			trans	-66.6	133.4	175.8	-179.8	-91.1	0	0	0	111.8	C1248 C1251 V1261 H1264	C1248-F1253 HydrophobicContact CB-CB 4.15Å; C1248-F1253 VanDerWaalsContact CB-O 3.31Å; C1248-F1253 WeakPolarHBondContact CB-O 3.29Å; C1248-F1253 PolarHBondContact N-O 2.78Å; C1251-F1253 PolarHBondContact O-N 3.05Å; F1253-V1261 HydrophobicContact CE1-CG2 4.29Å; F1253-H1264 WeakPolarHBondContact CB-NE2 3.41Å; F1253-H1264 HydrophobicContact CD1-CB 3.8Å; F1253-H1264 AromaticContact CD1-CD2 3.42Å; F1253-H1264 VanDerWaalsContact CD1-CD2 3.42Å; F1253-H1264 WeakPolarHBondContact CD1-CD2 3.5Å; F1253-H1264 AromaticContact CD1-CG 3.46Å; F1253-H1264 VanDerWaalsContact CD1-CG 3.46Å; F1253-H1264 HydrophobicContact CE1-CB 3.66Å; F1253-H1264 AromaticContact CE1-CG 3.87Å; F1253-H1264 HydrophobicContact CG-CB 4.35Å; F1253-H1264 AromaticContact CG-CD2 3.69Å; F1253-H1264 AromaticContact CG-CE1 3.96Å; F1253-H1264 AromaticContact CG-CG 3.65Å; F1253-H1264 AromaticContact CG-ND1 3.83Å; F1253-H1264 AromaticContact CG-NE2 3.9Å; F1253-H1264 HydrophobicContact CZ-CB 4.11Å
1254	H	91.4	Very high	89.9	Confident	108 Å²	108	84.7 Å²	84.7	50%	0.5	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	148	176.1	61	99.8	0	0	0	112.1	D1245 V1246 V1247 E1252	D1245-H1254 HydrophobicContact CB-CB 4.12Å; D1245-H1254 IonicContact OD2-CE1 3.51Å; D1245-H1254 IonicContact OD2-CG 2.66Å; D1245-H1254 IonicContact OD2-ND1 2.78Å; D1245-H1254 PolarHBondContact OD2-ND1 3.03Å; V1246-H1254 WeakPolarHBondContact O-CA 3.18Å; V1247-H1254 HydrophobicContact CB-CB 4.4Å; V1247-H1254 HydrophobicContact CG1-CB 4.41Å; V1247-H1254 HydrophobicContact CG2-CB 4.08Å; E1252-H1254 PolarHBondContact O-CD2 3.25Å
1255	S	94	Very high	91	Very high	21 Å²	21	78.9 Å²	78.9	15%	0.147	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	145.5	172.1	174.1	0	0	0	0	110.6	V1246 L1257 D1260	V1246-S1255 WeakPolarHBondContact CA-O 3.24Å; V1246-S1255 WeakPolarHBondContact CB-O 3.47Å; V1246-S1255 PolarHBondContact N-O 3.42Å; V1246-S1255 PolarHBondContact O-N 2.92Å; S1255-L1257 PolarHBondContact O-N 3.33Å; S1255-L1257 PolarHBondContact OG-N 3Å; S1255-L1257 VanDerWaalsContact OG-N 3.13Å; S1255-D1260 PolarHBondContact OG-OD2 3.28Å
1256	K	89.8	Confident	91	Very high	119 Å²	119	82.4 Å²	82.4	52%	0.517	42%	0.419	S	S	.	.	S	Bend	trans	-57.8	-31.6	170.2	-68.7	-174.4	174.9	-69.1	0	112.6	D1243 D1245	D1243-K1256 PolarHBondContact O-NZ 2.82Å; D1245-K1256 WeakPolarHBondContact OD1-CE 3.16Å; D1245-K1256 WeakPolarHBondContact OD1-CG 3.34Å; D1245-K1256 IonicContact OD1-NZ 3.19Å; D1245-K1256 PolarHBondContact OD1-NZ 3.48Å
1257	L	89.4	Confident	91.5	Very high	100 Å²	100	85.2 Å²	85.2	52%	0.524	43%	0.432	S	S	.	.			trans	-91.3	112.5	177.9	-80.4	89.9	0	0	0	111.2	S1255 S1259 D1260 V1261	S1255-L1257 PolarHBondContact O-N 3.33Å; S1255-L1257 PolarHBondContact OG-N 3Å; S1255-L1257 VanDerWaalsContact OG-N 3.13Å; L1257-S1259 PolarHBondContact O-N 3.45Å; L1257-S1259 VanDerWaalsContact O-N 3.07Å; L1257-D1260 WeakPolarHBondContact CB-OD1 3.11Å; L1257-D1260 WeakPolarHBondContact CB-OD2 3.47Å; L1257-D1260 WeakPolarHBondContact O-CB 3.09Å; L1257-D1260 PolarHBondContact O-N 2.98Å; L1257-V1261 PolarHBondContact O-N 3.13Å
1258	R	89.3	Confident	91.3	Very high	171 Å²	171	84.8 Å²	84.8	65%	0.645	43%	0.432	S	S	*	.	H	α-helix	trans	-55.3	-24.1	172.3	-176	175.3	174.6	-172.4	0	113.8	V1246 D1260 M1262	V1246-R1258 HydrophobicContact CG2-CB 4.34Å; R1258-D1260 VanDerWaalsContact C-N 3.31Å; R1258-M1262 HydrophobicContact CG-CG 4.39Å; R1258-M1262 WeakPolarHBondContact O-CB 3.31Å; R1258-M1262 WeakPolarHBondContact O-CG 3.43Å; R1258-M1262 PolarHBondContact O-N 2.84Å; R1258-M1262 VanDerWaalsContact O-N 3.14Å
1259	S	92.9	Very high	91.2	Very high	69 Å²	69	90 Å²	90	48%	0.483	46%	0.456	S	S	.	.	H	α-helix	trans	-59.5	-43.8	171.7	39.9	0	0	0	0	111.8	L1257 M1262 Q1263	L1257-S1259 PolarHBondContact O-N 3.45Å; L1257-S1259 VanDerWaalsContact O-N 3.07Å; S1259-M1262 PolarHBondContact O-N 3.35Å; S1259-Q1263 WeakPolarHBondContact O-CB 3.21Å; S1259-Q1263 PolarHBondContact O-N 3.28Å
1260	D	94	Very high	91.3	Very high	64 Å²	64	89 Å²	89	34%	0.342	44%	0.442	S	S	.	.	H	α-helix	trans	-74.5	-38.7	-170	-46.4	0.5	0	0	0	109.5	S1255 L1257 R1258 Q1263 H1264	S1255-D1260 PolarHBondContact OG-OD2 3.28Å; L1257-D1260 WeakPolarHBondContact CB-OD1 3.11Å; L1257-D1260 WeakPolarHBondContact CB-OD2 3.47Å; L1257-D1260 WeakPolarHBondContact O-CB 3.09Å; L1257-D1260 PolarHBondContact O-N 2.98Å; R1258-D1260 VanDerWaalsContact C-N 3.31Å; D1260-Q1263 PolarHBondContact O-N 3.26Å; D1260-H1264 VanDerWaalsContact O-CB 3.24Å; D1260-H1264 WeakPolarHBondContact O-CB 3.23Å; D1260-H1264 PolarHBondContact O-N 3.18Å
1261	V	93.6	Very high	91.6	Very high	2 Å²	2	87 Å²	87	1%	0.012	43%	0.433	C	S	.	.	H	α-helix	trans	-63.9	-40.6	172.2	-171.3	0	0	0	0	111.1	V1246 C1248 F1253 L1257 I1265	V1246-V1261 HydrophobicContact CB-CG2 3.9Å; V1246-V1261 HydrophobicContact CG1-CB 4.32Å; V1246-V1261 HydrophobicContact CG1-CG1 4.35Å; V1246-V1261 HydrophobicContact CG1-CG2 3.96Å; V1246-V1261 WeakPolarHBondContact O-CG2 3.27Å; C1248-V1261 HydrophobicContact CB-CG1 4.2Å; F1253-V1261 HydrophobicContact CE1-CG2 4.29Å; L1257-V1261 PolarHBondContact O-N 3.13Å; V1261-I1265 HydrophobicContact CG1-CD1 4.1Å; V1261-I1265 WeakPolarHBondContact O-CB 3.32Å; V1261-I1265 WeakPolarHBondContact O-CD1 3.4Å; V1261-I1265 WeakPolarHBondContact O-CG1 3.4Å; V1261-I1265 PolarHBondContact O-N 3.13Å
1262	M	90.6	Very high	91.6	Very high	89 Å²	89	89.1 Å²	89.1	44%	0.438	44%	0.438	S	S	.	.	H	α-helix	trans	-68.4	-37.1	176	-70.4	-77.7	154	0	0	112	R1258 S1259 I1265 M1266	R1258-M1262 HydrophobicContact CG-CG 4.39Å; R1258-M1262 WeakPolarHBondContact O-CB 3.31Å; R1258-M1262 WeakPolarHBondContact O-CG 3.43Å; R1258-M1262 PolarHBondContact O-N 2.84Å; R1258-M1262 VanDerWaalsContact O-N 3.14Å; S1259-M1262 PolarHBondContact O-N 3.35Å; M1262-I1265 PolarHBondContact O-N 3.47Å; M1262-M1266 WeakPolarHBondContact O-CG 3.19Å; M1262-M1266 PolarHBondContact O-N 3.45Å; M1262-M1266 VanDerWaalsContact O-N 3.14Å
1263	Q	92.3	Very high	91.6	Very high	94 Å²	94	83.4 Å²	83.4	44%	0.439	41%	0.413	S	S	.	.	H	α-helix	trans	-66.6	-49.8	174.7	-172.1	56.6	51.4	0	0	110.8	S1259 D1260 I1265 M1266 D1267	S1259-Q1263 WeakPolarHBondContact O-CB 3.21Å; S1259-Q1263 PolarHBondContact O-N 3.28Å; D1260-Q1263 PolarHBondContact O-N 3.26Å; Q1263-I1265 VanDerWaalsContact C-N 3.32Å; Q1263-I1265 PolarHBondContact O-N 3.35Å; Q1263-M1266 PolarHBondContact O-N 3.29Å; Q1263-D1267 WeakPolarHBondContact CG-OD2 3.49Å; Q1263-D1267 PolarHBondContact NE2-OD1 3.33Å; Q1263-D1267 PolarHBondContact NE2-OD2 3.31Å; Q1263-D1267 VanDerWaalsContact O-CG 3.3Å; Q1263-D1267 PolarHBondContact O-N 3.11Å
1264	H	95	Very high	91.5	Very high	24 Å²	24	83.4 Å²	83.4	11%	0.111	42%	0.416	C	S	.	.	H	α-helix	trans	-53.8	-44	172.4	160.2	71.3	0	0	0	112.5	C1248 C1251 F1253 D1260 M1266 D1267 C1268 H1269	C1248-H1264 VanDerWaalsContact SG-CD2 3.55Å; C1248-H1264 PolarHBondContact SG-NE2 3.15Å; C1251-H1264 VanDerWaalsContact SG-CE1 3.52Å; C1251-H1264 PolarHBondContact SG-NE2 3.43Å; F1253-H1264 WeakPolarHBondContact CB-NE2 3.41Å; F1253-H1264 HydrophobicContact CD1-CB 3.8Å; F1253-H1264 AromaticContact CD1-CD2 3.42Å; F1253-H1264 VanDerWaalsContact CD1-CD2 3.42Å; F1253-H1264 WeakPolarHBondContact CD1-CD2 3.5Å; F1253-H1264 AromaticContact CD1-CG 3.46Å; F1253-H1264 VanDerWaalsContact CD1-CG 3.46Å; F1253-H1264 HydrophobicContact CE1-CB 3.66Å; F1253-H1264 AromaticContact CE1-CG 3.87Å; F1253-H1264 HydrophobicContact CG-CB 4.35Å; F1253-H1264 AromaticContact CG-CD2 3.69Å; F1253-H1264 AromaticContact CG-CE1 3.96Å; F1253-H1264 AromaticContact CG-CG 3.65Å; F1253-H1264 AromaticContact CG-ND1 3.83Å; F1253-H1264 AromaticContact CG-NE2 3.9Å; F1253-H1264 HydrophobicContact CZ-CB 4.11Å; D1260-H1264 VanDerWaalsContact O-CB 3.24Å; D1260-H1264 WeakPolarHBondContact O-CB 3.23Å; D1260-H1264 PolarHBondContact O-N 3.18Å; H1264-M1266 VanDerWaalsContact C-N 3.33Å; H1264-M1266 PolarHBondContact O-N 3.16Å; H1264-D1267 PolarHBondContact O-N 3.29Å; H1264-C1268 VanDerWaalsContact O-CB 3.25Å; H1264-C1268 WeakPolarHBondContact O-CB 3.34Å; H1264-C1268 PolarHBondContact O-N 3.45Å; H1264-H1269 AromaticContact NE2-CD2 3.93Å; H1264-H1269 AromaticContact NE2-NE2 3.51Å
1265	I	95.7	Very high	91.5	Very high	41 Å²	41	81.8 Å²	81.8	21%	0.21	41%	0.411	C	S	.	.	H	α-helix	trans	-59.2	-44.2	174.9	-71.7	160.8	0	0	0	110.7	P1249 V1261 M1262 Q1263 D1267 H1269	P1249-I1265 HydrophobicContact CG-CD1 4.32Å; V1261-I1265 HydrophobicContact CG1-CD1 4.1Å; V1261-I1265 WeakPolarHBondContact O-CB 3.32Å; V1261-I1265 WeakPolarHBondContact O-CD1 3.4Å; V1261-I1265 WeakPolarHBondContact O-CG1 3.4Å; V1261-I1265 PolarHBondContact O-N 3.13Å; M1262-I1265 PolarHBondContact O-N 3.47Å; Q1263-I1265 VanDerWaalsContact C-N 3.32Å; Q1263-I1265 PolarHBondContact O-N 3.35Å; I1265-D1267 VanDerWaalsContact C-N 3.34Å; I1265-D1267 PolarHBondContact O-N 3.45Å; I1265-H1269 WeakPolarHBondContact O-CB 3.3Å; I1265-H1269 PolarHBondContact O-N 3.24Å; I1265-H1269 VanDerWaalsContact O-N 3.13Å
1266	M	85.5	Confident	91.3	Very high	128 Å²	128	86.1 Å²	86.1	63%	0.631	43%	0.43	S	S	*	.	H	α-helix	trans	-69.4	-29	178.5	-67.7	-176.2	-60	0	0	113.7	M1262 Q1263 H1264	M1262-M1266 WeakPolarHBondContact O-CG 3.19Å; M1262-M1266 PolarHBondContact O-N 3.45Å; M1262-M1266 VanDerWaalsContact O-N 3.14Å; Q1263-M1266 PolarHBondContact O-N 3.29Å; H1264-M1266 VanDerWaalsContact C-N 3.33Å; H1264-M1266 PolarHBondContact O-N 3.16Å
1267	D	92.1	Very high	91.4	Very high	110 Å²	110	83.6 Å²	83.6	59%	0.588	42%	0.423	S	S	*	.	H	α-helix	trans	-90.2	-19.4	-176.7	-64.9	-28.9	0	0	0	113.4	Q1263 H1264 I1265	Q1263-D1267 WeakPolarHBondContact CG-OD2 3.49Å; Q1263-D1267 PolarHBondContact NE2-OD1 3.33Å; Q1263-D1267 PolarHBondContact NE2-OD2 3.31Å; Q1263-D1267 VanDerWaalsContact O-CG 3.3Å; Q1263-D1267 PolarHBondContact O-N 3.11Å; H1264-D1267 PolarHBondContact O-N 3.29Å; I1265-D1267 VanDerWaalsContact C-N 3.34Å; I1265-D1267 PolarHBondContact O-N 3.45Å
1268	C	89	Confident	91.6	Very high	80 Å²	80	82.3 Å²	82.3	54%	0.541	41%	0.414	S	S	.	.	H	α-helix	trans	-122.7	-11.2	-172.2	-66	0	0	0	0	115.9	H1264	H1264-C1268 VanDerWaalsContact O-CB 3.25Å; H1264-C1268 WeakPolarHBondContact O-CB 3.34Å; H1264-C1268 PolarHBondContact O-N 3.45Å
1269	H	89.4	Confident	91.8	Very high	115 Å²	115	74.2 Å²	74.2	53%	0.532	39%	0.393	S	S	.	.			trans	-139	0	-166.9	-64.1	-35.6	0	0	0	115.7	M1250 C1251 H1264 I1265	M1250-H1269 WeakPolarHBondContact CB-CD2 3.43Å; M1250-H1269 WeakPolarHBondContact CB-NE2 3.48Å; M1250-H1269 HydrophobicContact CE-CB 3.86Å; C1251-H1269 PolarHBondContact SG-NE2 3.36Å; C1251-H1269 VanDerWaalsContact SG-NE2 3.43Å; H1264-H1269 AromaticContact NE2-CD2 3.93Å; H1264-H1269 AromaticContact NE2-NE2 3.51Å; I1265-H1269 WeakPolarHBondContact O-CB 3.3Å; I1265-H1269 PolarHBondContact O-N 3.24Å; I1265-H1269 VanDerWaalsContact O-N 3.13Å

Retrieved 1,269 of 1,269 residues in 678.7 ms (Link to these results)

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