A0A087X9W5_POEFO Loading...

Pleckstrin and Sec7 domain containing 2

AlphaFold DB , UniProt , Accession A0A087X9W5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 894 aa.

						>A0A087X9W5_POEFO|A0A087X9W5
MTQEGQALPSPTPPENTSEPDTTATTTDPPAETHSEAAEDRPEERQQEEESIGREEEAQSEGEGRAEGRDEGEEEELNKEEEGSTEEEHHQSKREEEEKRDNEDMQLSAETEGTKPQPTERLENGTSGNDDEDGEEDGEEDGGEEREGRTNLDTFSSNFETTVEQADTEVEDEEEEEEEEEEEEEGAQGDVEETENQDTFSSAFEQIVEQVDAHEEEEEEEEEERESEEEEKEKEKNKVVDNKDGFSSTFERIVESALLRGGTCYSSLDSLDVLSLTDETDSCVSFEAPLTPLIQQRSLLQGPEPLELELATVQEQEGAELGADGLDGDDTSGQSAVRAGGAGGAAGGSPLRTTIPGSRSEFALSQPGRWAIPNGYHSDSQGAGERAGAMVSSVSDANLSDVPSDLEECALGSLERGSTDTLANGCRVDSEAAKRLAKRLYHLDGFKRCDVARHLGKNNEFSQLVASEYLSYFDFSGLSLDRALRNFLKAFPLMGETQERERVLVHFSRRYCHCNPLTPTSEDGAHTLTCALMLLNTDLHGHNIGKKMSCQQFISNLDGLNNDNDFPKELLKVLYNSIKNEKLEWAIEEEELRKSLSELVEDQCEGGSKRVARVTDGTNPFIAIPVQLNAVTYKHGVLTRKSDADMDGKRTPKGRRGWKKFYAVLKGMILYLQKDEYRPDSDISEADLKNAVRIHHALATRATDYSKKPHVLKLKTSDWRVFLLQAPSEEEMLSWIFRINLVAALFSAPAFPAAIGSMKKFCRPILPSSSTRLNQEEQLLSHENKLKKTSLELEEHRKLQPSGDPKGRDWEEYRLKEHYLTYEKTRYETYVSLLQAKIHAETDDLEKIEASVLSGMMSDATLAGRECLLRKTRSSPSISLSHSGQNGRLPGCTV
					

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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	28.9	Very low	43.2	Very low	232 Å²	232	136.8 Å²	136.8	100%	1.143	79%	0.794	S	S	*	*				0	86.2	0	-70.4	164.3	174.9	0	0	105.4
2	T	35	Very low	42.8	Very low	109 Å²	109	136.3 Å²	136.3	67%	0.669	80%	0.795	S	S	*	*				84.2	103.3	83.8	50.8	0	0	0	0	110.5
3	Q	40.6	Very low	44.8	Very low	163 Å²	163	134.8 Å²	134.8	76%	0.762	79%	0.792	S	S	*	*				74.8	145.7	87.8	-77	179.9	-69.8	0	0	112.8
4	E	42.4	Very low	46.4	Very low	140 Å²	140	132.8 Å²	132.8	65%	0.654	79%	0.785	S	S	*	*			cis	-163.8	179	-11.5	-120.6	-178.4	-91.6	0	0	107.3	Q6	E4-Q6 PolarHBondContact OE2-NE2 3.02Å
5	G	40	Very low	46.2	Very low	60 Å²	60	134.6 Å²	134.6	62%	0.619	78%	0.782	S	S	*	*			cis	155.5	164.1	-0.2	0	0	0	0	0	112.1
6	Q	41.1	Very low	46	Very low	176 Å²	176	133.8 Å²	133.8	82%	0.822	77%	0.774	S	S	*	*			trans	70.4	157.6	160.7	-57	175.1	31.2	0	0	118.1	E4	E4-Q6 PolarHBondContact OE2-NE2 3.02Å
7	A	40.6	Very low	45.6	Very low	96 Å²	96	132.8 Å²	132.8	79%	0.793	77%	0.771	S	S	*	*			cis	-167	176.2	-21.8	0	0	0	0	0	112.4
8	L	43	Very low	45.4	Very low	170 Å²	170	130.9 Å²	130.9	89%	0.89	77%	0.767	S	S	*	*			trans	-81.6	179.3	173.1	-74.4	170.5	0	0	0	112.4
9	P	62.3	Low	45.8	Very low	125 Å²	125	133.2 Å²	133.2	81%	0.812	77%	0.769	S	S	*	*			cis	-150.1	-155.5	29.3	45.1	-20.9	0	0	0	118.3
10	S	42.4	Very low	47	Very low	108 Å²	108	132.1 Å²	132.1	76%	0.755	77%	0.767	S	S	*	*			trans	-97.4	169.5	-176	56.8	0	0	0	0	115.4
11	P	58.4	Low	46.7	Very low	126 Å²	126	132.6 Å²	132.6	82%	0.818	77%	0.767	S	S	*	*				-158.5	-160.6	93.8	42.6	-20.4	0	0	0	117.1
12	T	39	Very low	47.2	Very low	131 Å²	131	126.5 Å²	126.5	80%	0.804	74%	0.743	S	S	*	*			trans	-121.9	-175.7	179.6	49.4	0	0	0	0	112.5
13	P	68.1	Low	47.5	Very low	117 Å²	117	128 Å²	128	76%	0.76	75%	0.752	S	S	*	*			cis	-121.2	-126.4	-20.6	30.1	-4.1	0	0	0	110.7
14	P	68	Low	47.5	Very low	106 Å²	106	124.2 Å²	124.2	69%	0.688	75%	0.748	S	S	*	*			cis	-139.6	-169.7	-28.4	42.1	-21.3	0	0	0	118.1
15	E	43.2	Very low	47.2	Very low	160 Å²	160	123.8 Å²	123.8	75%	0.748	76%	0.755	S	S	*	*			trans	83.1	128.5	147.7	-88.1	-164.5	122.4	0	0	127.9
16	N	42.5	Very low	46.9	Very low	122 Å²	122	127.2 Å²	127.2	65%	0.652	77%	0.765	S	S	*	*			trans	72.1	152.1	141.7	-67.5	-19.5	0	0	0	122.8
17	T	39.5	Very low	46.7	Very low	116 Å²	116	124.8 Å²	124.8	71%	0.712	76%	0.762	S	S	*	*			cis	-165.6	149.7	3.4	8.3	0	0	0	0	116.4
18	S	42.4	Very low	46.6	Very low	100 Å²	100	127.8 Å²	127.8	70%	0.699	76%	0.764	S	S	*	*			trans	66.7	158.5	135.4	71	0	0	0	0	127.6
19	E	53.4	Low	48.2	Very low	173 Å²	173	124.4 Å²	124.4	81%	0.808	75%	0.753	S	S	*	*			trans	-114.4	-131.4	-167	-36.1	87.3	153.3	0	0	113.5
20	P	69.5	Low	48.5	Very low	112 Å²	112	123.9 Å²	123.9	73%	0.727	75%	0.749	S	S	*	*			cis	-140.5	179.8	-11.4	39.1	-17	0	0	0	118.9
21	D	40.8	Very low	48.3	Very low	143 Å²	143	123.1 Å²	123.1	77%	0.765	75%	0.75	S	S	*	*				107.7	142.7	127.6	-117.8	-25.6	0	0	0	129.3
22	T	39.6	Very low	47	Very low	104 Å²	104	125.5 Å²	125.5	64%	0.638	75%	0.75	S	S	*	*			trans	83.8	107.9	150.8	51.8	0	0	0	0	127.7
23	T	41.6	Very low	46.6	Very low	140 Å²	140	124.4 Å²	124.4	86%	0.859	74%	0.743	S	S	*	*			trans	69.6	169.8	139.2	62	0	0	0	0	121.4
24	A	40.2	Very low	44.9	Very low	83 Å²	83	126.6 Å²	126.6	69%	0.686	74%	0.743	S	S	*	*			cis	-178.4	179.8	-36.7	0	0	0	0	0	107.6
25	T	35.5	Very low	43.1	Very low	132 Å²	132	125.1 Å²	125.1	81%	0.81	74%	0.735	S	S	*	*			cis	-166	-179.4	1.9	-13.6	0	0	0	0	108.9
26	T	34.5	Very low	42.7	Very low	132 Å²	132	126.1 Å²	126.1	81%	0.81	74%	0.74	S	S	*	*			trans	163.5	-148.5	142.7	-60.5	0	0	0	0	113.5
27	T	35.7	Very low	42.4	Very low	124 Å²	124	125 Å²	125	76%	0.761	75%	0.748	S	S	*	*			trans	-142.2	123.7	-156.3	52.7	0	0	0	0	118
28	D	39.3	Very low	42.2	Very low	159 Å²	159	123.5 Å²	123.5	85%	0.85	75%	0.747	S	S	*	*				65.3	164.3	122.7	-120.5	25.6	0	0	0	123.3
29	P	75.8	Confident	41.9	Very low	99 Å²	99	127.8 Å²	127.8	64%	0.643	76%	0.756	S	S	*	*				-132.3	-148.1	-102.4	45.5	-25.6	0	0	0	111.9
30	P	68.1	Low	40.8	Very low	114 Å²	114	125.5 Å²	125.5	74%	0.74	75%	0.749	S	S	*	*			cis	-137.2	-166.6	-12.5	43.4	-24.5	0	0	0	116.1
31	A	39.1	Very low	38.9	Very low	93 Å²	93	130.3 Å²	130.3	77%	0.769	75%	0.753	S	S	*	*			trans	75.6	136.8	157.7	0	0	0	0	0	119
32	E	30.6	Very low	39.1	Very low	176 Å²	176	128.3 Å²	128.3	82%	0.822	75%	0.748	S	S	*	*			cis	-127.7	146	3	-69.8	-171.6	125.5	0	0	113.6
33	T	31.5	Very low	38.5	Very low	108 Å²	108	131.8 Å²	131.8	66%	0.663	76%	0.757	S	S	*	*			trans	15.4	142.4	146.3	68	0	0	0	0	121.8
34	H	31.9	Very low	37.8	Very low	162 Å²	162	131.3 Å²	131.3	75%	0.75	75%	0.745	S	S	*	*			cis	-164.8	117.4	-10.3	-113.3	-58.2	0	0	0	111.2
35	S	30.3	Very low	37.1	Very low	76 Å²	76	135.8 Å²	135.8	53%	0.531	74%	0.744	S	S	.	*				51.7	113.9	119.6	66.5	0	0	0	0	119.7
36	E	34.4	Very low	36.6	Very low	181 Å²	181	136.5 Å²	136.5	85%	0.846	74%	0.738	S	S	*	*				83.1	123.3	71.7	-75.3	171.2	122.9	0	0	112.7
37	A	36.1	Very low	36.2	Very low	98 Å²	98	136.2 Å²	136.2	81%	0.81	73%	0.728	S	S	*	*				83.6	155.6	69.7	0	0	0	0	0	112.3
38	A	35.8	Very low	35.8	Very low	84 Å²	84	138.2 Å²	138.2	69%	0.694	73%	0.728	S	S	*	*			cis	-151.1	178.8	3.5	0	0	0	0	0	110.6
39	E	36.2	Very low	35.5	Very low	190 Å²	190	138.2 Å²	138.2	89%	0.888	72%	0.723	S	S	*	*			trans	36.9	131.9	156	-60.4	-178.2	146.7	0	0	122
40	D	30	Very low	33.6	Very low	125 Å²	125	141.3 Å²	141.3	67%	0.668	73%	0.729	S	S	*	*				174.5	158.4	108	-160.3	14.6	0	0	0	112.9
41	R	29.1	Very low	31.9	Very low	213 Å²	213	139 Å²	139	80%	0.804	72%	0.716	S	S	*	*			trans	55.5	166.7	148.8	-91.8	169.3	-141.3	-123.2	-7.5	125.2
42	P	46.5	Very low	31.6	Very low	102 Å²	102	142.5 Å²	142.5	66%	0.662	72%	0.72	S	S	*	*			trans	-111.8	-168.5	174.3	44.7	-33.3	0	0	0	113.4
43	E	26.8	Very low	31.4	Very low	177 Å²	177	137.1 Å²	137.1	83%	0.827	71%	0.711	S	S	*	*			trans	80.4	141.3	159	-74.3	-175.9	159.9	0	0	121
44	E	26.1	Very low	31.4	Very low	130 Å²	130	141.9 Å²	141.9	61%	0.607	72%	0.717	S	S	*	*			trans	46.7	119.3	152	-58.4	-130.6	119.7	0	0	123.2
45	R	25.7	Very low	31.4	Very low	177 Å²	177	139.7 Å²	139.7	67%	0.668	71%	0.707	S	S	*	*				62	133.4	126.8	-61.3	-177.3	-154.9	-158.3	15.3	122
46	Q	24.3	Very low	31.5	Very low	147 Å²	147	143.4 Å²	143.4	69%	0.687	72%	0.716	S	S	*	*				56.9	145	127.2	-57.1	173.7	-52.7	0	0	119.8
47	Q	26	Very low	31.3	Very low	126 Å²	126	143.3 Å²	143.3	59%	0.589	72%	0.716	S	S	*	*			cis	-168.1	162.4	-7.1	-116.8	164.5	-92.3	0	0	108.3
48	E	29.3	Very low	31.2	Very low	165 Å²	165	141.8 Å²	141.8	77%	0.771	70%	0.703	S	S	*	*			trans	64.3	147.3	153.1	-70.4	146.4	-156.4	0	0	121.3
49	E	33	Very low	31	Very low	160 Å²	160	146.4 Å²	146.4	75%	0.748	71%	0.711	S	S	*	*			cis	-117.5	-105	-18.3	-165.8	-156.2	118.7	0	0	111.1	S51	E49-S51 VanDerWaalsContact OE1-CA 3.28Å; E49-S51 WeakPolarHBondContact OE1-CA 3.4Å; E49-S51 WeakPolarHBondContact OE1-CB 3.4Å
50	E	35.3	Very low	30.8	Very low	164 Å²	164	142.4 Å²	142.4	77%	0.766	70%	0.703	S	S	*	*			cis	-165.1	131.5	-9.8	-148.2	-109.3	-106.7	0	0	106.8
51	S	32.8	Very low	30.9	Very low	66 Å²	66	145.5 Å²	145.5	46%	0.462	71%	0.714	S	S	.	*			cis	-160.7	-178.6	-12.7	58.8	0	0	0	0	111	E49	E49-S51 VanDerWaalsContact OE1-CA 3.28Å; E49-S51 WeakPolarHBondContact OE1-CA 3.4Å; E49-S51 WeakPolarHBondContact OE1-CB 3.4Å
52	I	31.1	Very low	30.9	Very low	165 Å²	165	138.4 Å²	138.4	85%	0.846	71%	0.707	S	S	*	*			trans	74.9	114	168.9	-48.6	174.5	0	0	0	117.5
53	G	27.8	Very low	30.2	Very low	63 Å²	63	143.4 Å²	143.4	65%	0.649	72%	0.721	S	S	*	*			cis	156.7	178.3	-11.7	0	0	0	0	0	115.7
54	R	30.5	Very low	30.2	Very low	208 Å²	208	138.3 Å²	138.3	79%	0.785	72%	0.717	S	S	*	*			trans	74.1	144.4	173.1	-48.2	-176.3	77.7	130.6	21.4	115.4
55	E	31.6	Very low	30.4	Very low	117 Å²	117	143.8 Å²	143.8	55%	0.547	73%	0.732	S	S	.	*			cis	-171.2	157.9	-10.9	-110.6	154.4	-154.7	0	0	106.3
56	E	33.1	Very low	30.6	Very low	154 Å²	154	139.3 Å²	139.3	72%	0.72	73%	0.733	S	S	*	*			cis	-162.4	157.2	0.6	-138	160.6	-163.3	0	0	110
57	E	31.3	Very low	31	Very low	178 Å²	178	141.9 Å²	141.9	83%	0.832	75%	0.745	S	S	*	*			trans	63	156.5	160	-64.9	-165.4	150.2	0	0	122.7
58	A	32.8	Very low	31.2	Very low	66 Å²	66	139.3 Å²	139.3	55%	0.545	75%	0.752	S	S	.	*			cis	-172.2	162.3	-27.8	0	0	0	0	0	112.5
59	Q	32.8	Very low	31.2	Very low	182 Å²	182	143.1 Å²	143.1	85%	0.85	76%	0.76	S	S	*	*			trans	68.2	150.1	150.3	-75.8	159.9	54.3	0	0	120.1
60	S	31.3	Very low	31.2	Very low	105 Å²	105	142 Å²	142	73%	0.734	76%	0.759	S	S	*	*			cis	-154.6	167.8	-11.4	63.5	0	0	0	0	113.8
61	E	30.8	Very low	31.2	Very low	190 Å²	190	142.4 Å²	142.4	89%	0.888	76%	0.761	S	S	*	*			trans	-47.1	168	153.9	-57.5	161.3	145.5	0	0	113.2
62	G	29.9	Very low	31.1	Very low	64 Å²	64	142.5 Å²	142.5	66%	0.66	77%	0.773	S	S	*	*			cis	164	-164.6	1.4	0	0	0	0	0	111.7
63	E	31.2	Very low	31.1	Very low	207 Å²	207	143.8 Å²	143.8	97%	0.967	78%	0.775	S	S	*	*			trans	62.7	155.9	177.3	-51.8	-165.9	140.6	0	0	116.1
64	G	27.5	Very low	31.3	Very low	71 Å²	71	150 Å²	150	73%	0.732	79%	0.787	S	S	*	*			cis	151.7	161.9	-6.4	0	0	0	0	0	112.4
65	R	29.6	Very low	31.2	Very low	245 Å²	245	148.7 Å²	148.7	93%	0.925	79%	0.79	S	S	*	*			trans	87.7	88.1	161.5	-160.7	-177.1	-168.6	152.1	3.9	121.4
66	A	31.1	Very low	31.3	Very low	83 Å²	83	150.2 Å²	150.2	69%	0.686	80%	0.797	S	S	*	*				36.8	141.2	113.5	0	0	0	0	0	124.3
67	E	31.8	Very low	31.1	Very low	200 Å²	200	147.5 Å²	147.5	94%	0.935	79%	0.787	S	S	*	*			trans	79.8	115.7	148.1	-74.6	173.9	-158.2	0	0	122.5
68	G	29.9	Very low	30.8	Very low	73 Å²	73	146.2 Å²	146.2	75%	0.753	79%	0.786	S	S	*	*				140	105.9	121.5	0	0	0	0	0	120.4
69	R	30.6	Very low	30.7	Very low	244 Å²	244	151.3 Å²	151.3	92%	0.921	80%	0.796	S	S	*	*			trans	73.6	137.6	159.3	-72.2	-176.4	171.6	130.5	-0.4	118.9
70	D	32.3	Very low	30.4	Very low	138 Å²	138	151 Å²	151	74%	0.738	79%	0.794	S	S	*	*			cis	80.8	132.9	20.6	-160	45.3	0	0	0	113.9
71	E	35	Very low	30.3	Very low	171 Å²	171	153.8 Å²	153.8	80%	0.799	80%	0.796	S	S	*	*			cis	-71.1	-166.8	-4.8	-53.2	85	178	0	0	112.4
72	G	30.3	Very low	30.1	Very low	69 Å²	69	153.4 Å²	153.4	71%	0.711	79%	0.794	S	S	*	*			cis	-174.6	-175.7	2.5	0	0	0	0	0	108.8
73	E	31.8	Very low	29.9	Very low	192 Å²	192	153.2 Å²	153.2	90%	0.897	79%	0.792	S	S	*	*			cis	-146.8	138.9	3.7	-62.6	177.8	112.8	0	0	110.8
74	E	32	Very low	29.7	Very low	194 Å²	194	148.6 Å²	148.6	91%	0.907	78%	0.782	S	S	*	*			trans	43.8	91.1	157.4	-54.9	-165.4	166	0	0	123.6
75	E	29.5	Very low	29.6	Very low	179 Å²	179	150.9 Å²	150.9	84%	0.836	78%	0.782	S	S	*	*				-71	174.1	128.4	-66.4	-178.4	132.3	0	0	110
76	E	32.6	Very low	29.5	Very low	150 Å²	150	147.7 Å²	147.7	70%	0.701	78%	0.778	S	S	*	*			cis	-162.7	180	13.4	-143.8	-164.8	155.1	0	0	111.6
77	L	28.3	Very low	29.3	Very low	96 Å²	96	152.7 Å²	152.7	50%	0.503	79%	0.787	S	S	.	*			trans	50.6	120.9	147.9	-77	168.2	0	0	0	123.8	K79	L77-K79 HydrophobicContact CD2-CB 3.97Å; L77-K79 HydrophobicContact CD2-CD 3.88Å
78	N	26.1	Very low	29.1	Very low	152 Å²	152	151.7 Å²	151.7	81%	0.813	78%	0.782	S	S	*	*				177.3	130.8	101.3	-84.4	-41.1	0	0	0	108.6
79	K	30.1	Very low	29	Very low	173 Å²	173	155.7 Å²	155.7	75%	0.752	78%	0.781	S	S	*	*			cis	78.5	88.2	14	-154.6	-172.5	-178.7	-173.9	0	117	L77	L77-K79 HydrophobicContact CD2-CB 3.97Å; L77-K79 HydrophobicContact CD2-CD 3.88Å
80	E	26.2	Very low	28.9	Very low	176 Å²	176	151.2 Å²	151.2	82%	0.822	77%	0.77	S	S	*	*			trans	-148.4	126.1	145	-98.1	169	-160.8	0	0	104.2
81	E	30.3	Very low	28.6	Very low	163 Å²	163	152.4 Å²	152.4	76%	0.762	77%	0.771	S	S	*	*				70.6	137.7	79.1	-74.1	-171.5	-169.1	0	0	113.3
82	E	27.1	Very low	28.4	Very low	182 Å²	182	148.8 Å²	148.8	85%	0.85	77%	0.765	S	S	*	*			cis	-163.7	178.7	-12.8	-137.1	-171	-163.2	0	0	109.4
83	G	25.5	Very low	28.2	Very low	60 Å²	60	154 Å²	154	62%	0.619	77%	0.768	S	S	*	*			trans	125.5	120.5	147.5	0	0	0	0	0	119.8
84	S	26.3	Very low	27.9	Very low	109 Å²	109	156.3 Å²	156.3	76%	0.762	77%	0.768	S	S	*	*			trans	58.4	121.2	165.1	52.6	0	0	0	0	118.6
85	T	24.7	Very low	27.7	Very low	119 Å²	119	154.9 Å²	154.9	73%	0.73	76%	0.762	S	S	*	*			cis	87.7	134.8	32.4	72.8	0	0	0	0	116.2
86	E	27.6	Very low	27.7	Very low	179 Å²	179	155 Å²	155	84%	0.836	76%	0.762	S	S	*	*			trans	69.5	152.8	170.4	-65.6	159.1	173	0	0	115
87	E	28.3	Very low	27.4	Very low	188 Å²	188	156.8 Å²	156.8	88%	0.879	77%	0.771	S	S	*	*			cis	-146.6	173.8	12.9	-151.6	171.4	-158.5	0	0	112
88	E	27.6	Very low	27.6	Very low	179 Å²	179	158.4 Å²	158.4	84%	0.836	78%	0.776	S	S	*	*			trans	-95.7	155	179.4	-67.2	-166	115.6	0	0	114.8
89	H	26.3	Very low	27.8	Very low	156 Å²	156	158.4 Å²	158.4	72%	0.722	77%	0.769	S	S	*	*			trans	47.6	147.8	145.2	-112.2	50.9	0	0	0	123.8
90	H	28.3	Very low	27.8	Very low	151 Å²	151	159.1 Å²	159.1	70%	0.699	77%	0.766	S	S	*	*			trans	68.7	160.8	160.4	-70.8	-22.7	0	0	0	117
91	Q	26.2	Very low	27.9	Very low	162 Å²	162	155.8 Å²	155.8	76%	0.757	75%	0.754	S	S	*	*			cis	-144.8	168.8	-1.2	-138.4	164.4	43.9	0	0	112.3
92	S	30.4	Very low	27.8	Very low	95 Å²	95	154.9 Å²	154.9	66%	0.664	75%	0.754	S	S	*	*			trans	-83.9	152.3	166.1	53.7	0	0	0	0	112.4
93	K	26.8	Very low	27.9	Very low	178 Å²	178	154 Å²	154	77%	0.774	75%	0.751	S	S	*	*			trans	152.4	133.5	139.9	-88	172.5	176.9	-173.6	0	113.4
94	R	25.6	Very low	28	Very low	241 Å²	241	158.2 Å²	158.2	91%	0.909	76%	0.759	S	S	*	*				-170.2	163.7	106.4	-100.2	173.9	-173.2	-173.1	1.8	111.7
95	E	28.3	Very low	28.1	Very low	165 Å²	165	159.6 Å²	159.6	77%	0.771	76%	0.755	S	S	*	*			trans	-125.8	179.3	-170.9	-64.8	158.7	105.9	0	0	110
96	E	28.8	Very low	28.3	Very low	180 Å²	180	161.5 Å²	161.5	84%	0.841	76%	0.755	S	S	*	*			trans	71.4	142	172.2	-50.2	-178.1	134.8	0	0	114.9
97	E	26.8	Very low	28.3	Very low	189 Å²	189	161.1 Å²	161.1	88%	0.883	76%	0.758	S	S	*	*			cis	-114.1	141.7	20	-65.7	171.8	125.4	0	0	111.6
98	E	32.3	Very low	28.2	Very low	130 Å²	130	158 Å²	158	61%	0.607	76%	0.758	S	S	*	*				87.9	114.7	53.8	-85.4	-126.5	125.4	0	0	117.1
99	K	30.1	Very low	28.4	Very low	152 Å²	152	154 Å²	154	66%	0.661	76%	0.755	S	S	*	*			trans	69.6	156.5	146.5	-63.7	176.4	175	137.3	0	118.2
100	R	29.7	Very low	28.4	Very low	188 Å²	188	155.1 Å²	155.1	71%	0.709	76%	0.76	S	S	*	*			cis	-168.5	166.3	-12.5	-109.5	172.7	64.7	125.2	14.4	107.3
101	D	29.5	Very low	28.4	Very low	105 Å²	105	153.9 Å²	153.9	56%	0.561	76%	0.764	S	S	*	*			cis	-111.3	-124.3	-9.1	-83.7	-71.3	0	0	0	108.2
102	N	27.6	Very low	28.4	Very low	144 Å²	144	155.6 Å²	155.6	77%	0.77	77%	0.772	S	S	*	*			cis	-160.3	160.2	-8.4	-149.8	99.2	0	0	0	110.2
103	E	28.7	Very low	28.2	Very low	165 Å²	165	154.3 Å²	154.3	77%	0.771	77%	0.773	S	S	*	*			trans	-120.3	-175.6	176.9	-64.5	177.8	108.3	0	0	111.9
104	D	28.6	Very low	28.2	Very low	148 Å²	148	152.2 Å²	152.2	79%	0.791	78%	0.776	S	S	*	*			trans	70.7	151.2	163.7	-77.3	-34.8	0	0	0	119.7
105	M	28.3	Very low	28.4	Very low	137 Å²	137	150.3 Å²	150.3	68%	0.675	77%	0.774	S	S	*	*			cis	-150.7	146.6	10.2	-140.5	166.5	67.2	0	0	114.8
106	Q	27.6	Very low	29.2	Very low	159 Å²	159	148.3 Å²	148.3	74%	0.743	78%	0.775	S	S	*	*			trans	53.4	118.1	147.9	-79.6	170.1	10.9	0	0	124.3
107	L	29	Very low	29.2	Very low	171 Å²	171	148.1 Å²	148.1	90%	0.895	78%	0.775	S	S	*	*				7	126.4	128.1	-63.7	167.2	0	0	0	120.1
108	S	25.8	Very low	30.3	Very low	124 Å²	124	143.8 Å²	143.8	87%	0.867	76%	0.763	S	S	*	*			trans	-163.9	144.1	137	59.4	0	0	0	0	111.2
109	A	31.2	Very low	30.4	Very low	94 Å²	94	143.6 Å²	143.6	78%	0.777	77%	0.771	S	S	*	*			trans	-131.4	131.5	169.9	0	0	0	0	0	109.6
110	E	27.8	Very low	30.5	Very low	179 Å²	179	143 Å²	143	84%	0.836	77%	0.77	S	S	*	*			trans	-177.4	110.9	165.3	-104.8	163.3	-162.5	0	0	106.7
111	T	27.3	Very low	30.7	Very low	126 Å²	126	142.5 Å²	142.5	77%	0.773	77%	0.768	S	S	*	*				75.1	139.6	95.7	58.3	0	0	0	0	117.4
112	E	27.3	Very low	31	Very low	197 Å²	197	143.7 Å²	143.7	92%	0.921	77%	0.774	S	S	*	*			trans	1.1	146.1	166.5	-54.8	-176.1	107.4	0	0	122.6
113	G	24.7	Very low	31.2	Very low	68 Å²	68	144.1 Å²	144.1	70%	0.701	77%	0.771	S	S	*	*			trans	140.6	96.2	136	0	0	0	0	0	120.1
114	T	27	Very low	31.6	Very low	135 Å²	135	143.8 Å²	143.8	83%	0.828	78%	0.775	S	S	*	*			trans	53.1	123.7	131.7	-53.2	0	0	0	0	122.1
115	K	30.2	Very low	31.7	Very low	200 Å²	200	140 Å²	140	87%	0.87	77%	0.771	S	S	*	*			trans	-168.6	168.2	143.1	-106.1	159.3	-175.7	169.8	0	112.6
116	P	44	Very low	31.8	Very low	123 Å²	123	140 Å²	140	80%	0.799	78%	0.779	S	S	*	*				-135.4	-171.6	-128.4	39.1	-16.5	0	0	0	117.1
117	Q	29.3	Very low	31.9	Very low	177 Å²	177	137.5 Å²	137.5	83%	0.827	78%	0.779	S	S	*	*			trans	-73.2	-169.9	168.1	-55.1	-168.9	-10	0	0	112.8
118	P	50.5	Low	32.1	Very low	98 Å²	98	132.8 Å²	132.8	64%	0.636	77%	0.771	S	S	*	*			cis	-144.3	-162.9	3.6	43	-21.2	0	0	0	118
119	T	35.3	Very low	32.4	Very low	126 Å²	126	132.9 Å²	132.9	77%	0.773	76%	0.762	S	S	*	*			trans	76.1	144.6	158.2	46.5	0	0	0	0	118.8
120	E	31.4	Very low	32.6	Very low	138 Å²	138	134 Å²	134	65%	0.645	76%	0.755	S	S	*	*			cis	-156.7	166.9	11.4	-98.6	-115.3	106.6	0	0	108.3
121	R	33.3	Very low	32.9	Very low	178 Å²	178	132.3 Å²	132.3	67%	0.672	75%	0.752	S	S	*	*			cis	-177.4	170.1	-7.8	-169.6	-164.2	-166	115.4	-0.3	109.9
122	L	35.7	Very low	33.6	Very low	131 Å²	131	134.1 Å²	134.1	69%	0.686	75%	0.752	S	S	*	*			trans	77.2	144.9	164.5	-49.9	178.7	0	0	0	116.9
123	E	32.5	Very low	33.8	Very low	153 Å²	153	132.6 Å²	132.6	72%	0.715	75%	0.75	S	S	*	*			cis	-155.5	143.3	0.3	-133.4	165.2	-130.8	0	0	114.9
124	N	36.7	Very low	34.1	Very low	157 Å²	157	133 Å²	133	84%	0.84	75%	0.754	S	S	*	*			trans	29	135.4	154.6	-62.2	-20.4	0	0	0	126
125	G	30.2	Very low	34.4	Very low	69 Å²	69	135.6 Å²	135.6	71%	0.711	76%	0.757	S	S	*	*			trans	152.9	106.5	135.2	0	0	0	0	0	120.9
126	T	31	Very low	34.6	Very low	136 Å²	136	134.4 Å²	134.4	83%	0.834	76%	0.755	S	S	*	*			trans	47.5	105.5	154.2	43.2	0	0	0	0	120.2
127	S	30.7	Very low	34	Very low	108 Å²	108	136.5 Å²	136.5	76%	0.755	76%	0.759	S	S	*	*				68	121.1	83.9	70.6	0	0	0	0	115.6
128	G	31.5	Very low	34.1	Very low	71 Å²	71	131.6 Å²	131.6	73%	0.732	76%	0.756	S	S	*	*			cis	-171.4	-146.1	1.4	0	0	0	0	0	109.2
129	N	32.8	Very low	33.4	Very low	127 Å²	127	136.3 Å²	136.3	68%	0.679	77%	0.769	S	S	*	*			cis	-165	152	-1.1	-101.2	104.6	0	0	0	109
130	D	34.7	Very low	33.1	Very low	117 Å²	117	139.4 Å²	139.4	63%	0.626	78%	0.775	S	S	*	*			trans	51.2	117.7	143	-39.9	-11	0	0	0	120.5
131	D	35.7	Very low	33.1	Very low	143 Å²	143	140.9 Å²	140.9	77%	0.765	79%	0.787	S	S	*	*				85.7	147.3	78.3	-58.9	-22.4	0	0	0	112.4
132	E	40.3	Very low	32.9	Very low	165 Å²	165	135.3 Å²	135.3	77%	0.771	79%	0.785	S	S	*	*			cis	-161.7	-169.3	-16.1	-117.7	-173.4	153	0	0	107.1
133	D	33.4	Very low	32.7	Very low	164 Å²	164	133.1 Å²	133.1	88%	0.877	79%	0.794	S	S	*	*			trans	68.3	151.9	163	-61.7	-28.9	0	0	0	122.3
134	G	30.9	Very low	32.9	Very low	78 Å²	78	135.3 Å²	135.3	80%	0.804	81%	0.805	S	S	*	*			trans	140.1	112.3	154.8	0	0	0	0	0	117.2
135	E	32.8	Very low	32.8	Very low	189 Å²	189	137 Å²	137	88%	0.883	81%	0.807	S	S	*	*			trans	-89.3	176	179.3	-66.9	171.3	136.2	0	0	114.3
136	E	33.6	Very low	33.2	Very low	175 Å²	175	145.2 Å²	145.2	82%	0.818	82%	0.817	S	S	*	*			trans	-1.1	128.3	158.5	-57.5	176.4	144.1	0	0	119
137	D	31.6	Very low	33.1	Very low	167 Å²	167	148 Å²	148	89%	0.893	82%	0.821	S	S	*	*				169.2	163.1	94.7	-116	-24.3	0	0	0	114
138	G	31.7	Very low	32.9	Very low	73 Å²	73	146.1 Å²	146.1	75%	0.753	82%	0.818	S	S	*	*			trans	94.7	114.7	148.3	0	0	0	0	0	119.8
139	E	34.8	Very low	32.9	Very low	197 Å²	197	154 Å²	154	92%	0.921	83%	0.826	S	S	*	*			trans	-89	141.8	163.6	-54.9	175.2	149.6	0	0	110.8
140	E	30.3	Very low	33.1	Very low	192 Å²	192	154 Å²	154	90%	0.897	83%	0.831	S	S	*	*			trans	-168.9	125.4	143.6	-116.8	174.8	-167.3	0	0	114.3
141	D	31.3	Very low	33	Very low	169 Å²	169	156.8 Å²	156.8	90%	0.904	85%	0.845	S	S	*	*			trans	51.5	156.7	142.2	-156.1	28.3	0	0	0	124.4
142	G	29.1	Very low	33.1	Very low	61 Å²	61	156.9 Å²	156.9	63%	0.629	85%	0.845	S	S	*	*			trans	101.6	87.9	152.6	0	0	0	0	0	118.3
143	G	31.7	Very low	33	Very low	85 Å²	85	155.7 Å²	155.7	88%	0.876	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-77.9	160.5	179.1	0	0	0	0	0	117.1
144	E	35.8	Very low	33.2	Very low	199 Å²	199	153.8 Å²	153.8	93%	0.93	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-95.8	160.1	-175.9	-63.2	-173.2	114.4	0	0	115.3
145	E	35.5	Very low	33.3	Very low	191 Å²	191	159.6 Å²	159.6	89%	0.893	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-89.6	149.3	158.7	-64.4	-174.9	155.3	0	0	111.7
146	R	37.3	Very low	33.2	Very low	243 Å²	243	155.4 Å²	155.4	92%	0.917	83%	0.834	S	S	*	*				152.3	128.6	127	-173.1	175.7	-160.9	169.6	7.3	113.2
147	E	30.7	Very low	33.1	Very low	195 Å²	195	151.7 Å²	151.7	91%	0.911	83%	0.827	S	S	*	*			trans	-70	150.5	177.1	-65.4	-169.4	115.1	0	0	114.1
148	G	25.7	Very low	32.9	Very low	68 Å²	68	150.6 Å²	150.6	70%	0.701	82%	0.821	S	S	*	*			trans	154.8	28.2	156.8	0	0	0	0	0	121.3
149	R	31.1	Very low	32.6	Very low	237 Å²	237	155.5 Å²	155.5	89%	0.894	82%	0.822	S	S	*	*	S	Bend	trans	-168.1	155.8	159.7	-103.4	138.1	-164.6	-158.2	3.3	115.3
150	T	36.7	Very low	32.2	Very low	127 Å²	127	152.8 Å²	152.8	78%	0.779	81%	0.809	S	S	*	*			trans	-23.7	129	165.9	51.3	0	0	0	0	116.8
151	N	34.3	Very low	32.1	Very low	174 Å²	174	149.2 Å²	149.2	93%	0.93	80%	0.801	S	S	*	*			trans	-155.9	-178.2	169.5	-99.9	-32.7	0	0	0	114.1
152	L	36.6	Very low	31.8	Very low	146 Å²	146	146.8 Å²	146.8	76%	0.764	79%	0.792	S	S	*	*			trans	-133.3	154.8	-159.5	-168.2	75.5	0	0	0	112.3
153	D	38.1	Very low	31.7	Very low	139 Å²	139	149.2 Å²	149.2	74%	0.743	80%	0.795	S	S	*	*			trans	76.6	140	156.8	-78.2	-24.5	0	0	0	124.6
154	T	37.4	Very low	31.7	Very low	125 Å²	125	152.3 Å²	152.3	77%	0.767	79%	0.786	S	S	*	*			trans	78.4	103.1	148.1	-51	0	0	0	0	123.8
155	F	33.7	Very low	31.5	Very low	199 Å²	199	150 Å²	150	87%	0.873	78%	0.775	S	S	*	*			trans	40.7	126.7	134.2	-109	-92.5	0	0	0	124.7
156	S	31.3	Very low	31.1	Very low	102 Å²	102	144.4 Å²	144.4	71%	0.713	76%	0.762	S	S	*	*				130.1	119.3	118.6	-148.3	0	0	0	0	119.7
157	S	29.7	Very low	30.7	Very low	96 Å²	96	139.3 Å²	139.3	67%	0.671	75%	0.753	S	S	*	*			trans	55.8	126.9	145.9	-95	0	0	0	0	127
158	N	28.9	Very low	30.6	Very low	145 Å²	145	134.8 Å²	134.8	78%	0.775	74%	0.739	S	S	*	*				95.1	110.3	128.6	-68.3	15.2	0	0	0	123.9
159	F	24.2	Very low	30.7	Very low	176 Å²	176	139.5 Å²	139.5	77%	0.772	74%	0.743	S	S	*	*				114.5	147.2	121.8	-144.5	-129.9	0	0	0	121.5
160	E	28	Very low	30.6	Very low	139 Å²	139	133.1 Å²	133.1	65%	0.65	73%	0.73	S	S	*	*			trans	58.2	117.2	169	-81.7	172	147.2	0	0	120.6
161	T	27.1	Very low	30.3	Very low	117 Å²	117	135.5 Å²	135.5	72%	0.718	73%	0.732	S	S	*	*				73.7	152.7	80.2	69.4	0	0	0	0	114.7
162	T	25.1	Very low	30	Very low	119 Å²	119	134.2 Å²	134.2	73%	0.73	73%	0.725	S	S	*	*			cis	-159.5	179.3	9.2	-13.7	0	0	0	0	111.1
163	V	27.3	Very low	29.8	Very low	112 Å²	112	135.7 Å²	135.7	68%	0.679	73%	0.728	S	S	*	*			trans	73.6	105	145.9	156.8	0	0	0	0	118.3
164	E	31.3	Very low	29.6	Very low	149 Å²	149	138 Å²	138	70%	0.696	73%	0.734	S	S	*	*				93.6	161.6	89.8	-80.2	-170	133.4	0	0	113.5
165	Q	30.9	Very low	29.3	Very low	150 Å²	150	141.1 Å²	141.1	70%	0.701	74%	0.741	S	S	*	*			cis	-158.8	179.8	1.6	-130.1	172.8	29	0	0	110.7
166	A	27.8	Very low	29.2	Very low	75 Å²	75	140.8 Å²	140.8	62%	0.62	74%	0.742	S	S	*	*			trans	72.4	145.4	146.8	0	0	0	0	0	121.6
167	D	28.1	Very low	29.4	Very low	135 Å²	135	144.1 Å²	144.1	72%	0.722	75%	0.746	S	S	*	*			cis	-165.3	152.5	-9.9	-106.4	-13.8	0	0	0	114.2
168	T	28.7	Very low	29.6	Very low	101 Å²	101	146.8 Å²	146.8	62%	0.62	75%	0.748	S	S	*	*			trans	44.4	158.1	140.4	66.9	0	0	0	0	123.6
169	E	29.3	Very low	29.8	Very low	166 Å²	166	147.8 Å²	147.8	78%	0.776	75%	0.748	S	S	*	*			cis	-161.6	-175	-15.4	-101.3	154.7	-174.9	0	0	106
170	V	29.3	Very low	30.3	Very low	104 Å²	104	147.9 Å²	147.9	63%	0.63	75%	0.751	S	S	*	*				178.2	131.2	60	168.7	0	0	0	0	109.4
171	E	28.6	Very low	30.5	Very low	176 Å²	176	150 Å²	150	82%	0.822	76%	0.761	S	S	*	*			trans	50.4	144.5	150.4	-60.8	156.8	-161.6	0	0	122.8
172	D	29.4	Very low	30.7	Very low	147 Å²	147	153.5 Å²	153.5	79%	0.786	77%	0.769	S	S	*	*			cis	-146.6	-111.4	-25.6	-145.6	-96.6	0	0	0	114.3
173	E	32.2	Very low	31	Very low	178 Å²	178	156.8 Å²	156.8	83%	0.832	78%	0.776	S	S	*	*			cis	-169.7	81.7	8.4	-173.7	-179.7	-148.6	0	0	113
174	E	32.6	Very low	31	Very low	186 Å²	186	160.7 Å²	160.7	87%	0.869	79%	0.787	S	S	*	*			trans	57.3	161.3	164	-63.4	170	178.7	0	0	119.8
175	E	32.7	Very low	30.9	Very low	192 Å²	192	162.9 Å²	162.9	90%	0.897	80%	0.797	S	S	*	*			cis	-98.1	-148.4	4.1	-64.1	163.4	116	0	0	111
176	E	31.1	Very low	30.7	Very low	191 Å²	191	158.9 Å²	158.9	89%	0.893	80%	0.796	S	S	*	*			cis	-157.8	-177.4	11	-162.4	174	-162.9	0	0	109.3
177	E	35.2	Very low	30.8	Very low	172 Å²	172	159.9 Å²	159.9	80%	0.804	80%	0.804	S	S	*	*			trans	-118.4	167.2	-164.1	-68.2	165.3	166	0	0	114.5
178	E	33.3	Very low	30.7	Very low	152 Å²	152	162.9 Å²	162.9	71%	0.71	81%	0.814	S	S	*	*			cis	-159.9	136.3	6.5	-133	167.9	-153.9	0	0	112.8
179	E	33.7	Very low	30.6	Very low	167 Å²	167	161.4 Å²	161.4	78%	0.78	82%	0.819	S	S	*	*			trans	38.7	151.2	139.1	-61.2	178.3	179.5	0	0	125.3
180	E	33.7	Very low	30.6	Very low	177 Å²	177	161 Å²	161	83%	0.827	82%	0.822	S	S	*	*			cis	-145.6	-110.4	-33.3	-161.8	57.2	27.9	0	0	112.3
181	E	32.7	Very low	30.6	Very low	185 Å²	185	161.3 Å²	161.3	86%	0.864	82%	0.824	S	S	*	*			cis	-172.6	142.6	4.8	179.3	-176.6	-120.3	0	0	105.7
182	E	32.5	Very low	30.6	Very low	189 Å²	189	160.8 Å²	160.8	88%	0.883	82%	0.821	S	S	*	*			cis	-138.6	-125.7	-1.1	-162.7	178.6	-147.8	0	0	110.7
183	E	30.7	Very low	30.6	Very low	188 Å²	188	161.9 Å²	161.9	88%	0.879	82%	0.822	S	S	*	*			trans	-142.1	171.5	-170.4	-71.5	-172.1	147.8	0	0	115.7
184	E	26.4	Very low	30.6	Very low	194 Å²	194	159 Å²	159	91%	0.907	82%	0.816	S	S	*	*			trans	-149.7	126.5	148.7	-172.8	-179.6	-125	0	0	112.5
185	E	29.3	Very low	30.6	Very low	195 Å²	195	157.8 Å²	157.8	91%	0.911	81%	0.811	S	S	*	*			trans	-157.8	153.5	159.3	-113.3	-144.3	-140.3	0	0	112.4
186	G	27.1	Very low	30.8	Very low	66 Å²	66	154.1 Å²	154.1	68%	0.68	80%	0.798	S	S	*	*			trans	111.1	96.1	144.2	0	0	0	0	0	121.4
187	A	29.5	Very low	31.3	Very low	97 Å²	97	154.5 Å²	154.5	80%	0.802	80%	0.799	S	S	*	*			trans	65.9	103.6	133.4	0	0	0	0	0	123.2
188	Q	26.8	Very low	32.1	Very low	197 Å²	197	152.8 Å²	152.8	92%	0.921	80%	0.796	S	S	*	*				57	85.4	110.3	-164.6	175.9	-6.1	0	0	120.8
189	G	26.9	Very low	32.7	Very low	70 Å²	70	151.9 Å²	151.9	72%	0.722	80%	0.801	S	S	*	*				75.6	122.4	126.6	0	0	0	0	0	122.2
190	D	28.4	Very low	33	Very low	157 Å²	157	153.2 Å²	153.2	84%	0.84	80%	0.804	S	S	*	*				-178	134.6	118.5	-104.7	-14.5	0	0	0	114.6
191	V	29	Very low	33.9	Very low	112 Å²	112	148.3 Å²	148.3	68%	0.679	79%	0.79	S	S	*	*			trans	63.8	140.7	136	-179.9	0	0	0	0	123.3
192	E	30.3	Very low	34.4	Very low	164 Å²	164	143.7 Å²	143.7	77%	0.766	78%	0.778	S	S	*	*			trans	68	109.2	165.9	-81.5	167.3	-148	0	0	117.8
193	E	29.6	Very low	35.1	Very low	171 Å²	171	137.7 Å²	137.7	80%	0.799	76%	0.761	S	S	*	*				65.1	115.9	89	-77	-165.3	-176.2	0	0	113.2
194	T	31.8	Very low	35.6	Very low	116 Å²	116	135.4 Å²	135.4	71%	0.712	75%	0.748	S	S	*	*			cis	-169.3	150.4	44.6	20.4	0	0	0	0	113.7
195	E	32.8	Very low	36.8	Very low	161 Å²	161	132.1 Å²	132.1	75%	0.752	73%	0.733	S	S	*	*			trans	57.3	119.4	140.7	-71.7	-160.4	163.2	0	0	123.5
196	N	37.1	Very low	37.6	Very low	116 Å²	116	128.5 Å²	128.5	62%	0.62	72%	0.716	S	S	*	*			trans	80.4	88.6	133.7	-61.2	-30.4	0	0	0	119.8
197	Q	40.4	Very low	38.9	Very low	198 Å²	198	130.4 Å²	130.4	93%	0.925	71%	0.709	S	S	*	*				-155.1	79	103.2	-113.9	175.2	20.3	0	0	114.4
198	D	51.8	Low	40	Very low	137 Å²	137	128.7 Å²	128.7	73%	0.733	69%	0.689	S	S	*	*			trans	-61.4	145.9	159.7	-67.5	-66.9	0	0	0	111.8
199	T	46.8	Very low	41	Very low	133 Å²	133	126.3 Å²	126.3	82%	0.816	68%	0.678	S	S	*	*	S	Bend	trans	178.5	-28.9	142.4	-72.2	0	0	0	0	110.2
200	F	40.5	Very low	41.9	Very low	194 Å²	194	129.3 Å²	129.3	85%	0.851	67%	0.673	S	S	*	*	S	Bend	trans	-88.7	-33.9	-169	-159.6	-105.3	0	0	0	115.4
201	S	50.9	Low	43	Very low	75 Å²	75	125 Å²	125	52%	0.524	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.9	-42.4	-171.5	-143.2	0	0	0	0	114.1	A203 F204 E205	S201-A203 PolarHBondContact O-N 3.38Å; S201-F204 WeakPolarHBondContact O-CB 3.32Å; S201-F204 PolarHBondContact O-N 3.45Å; S201-E205 PolarHBondContact O-N 3.45Å
202	S	44.5	Very low	43.8	Very low	88 Å²	88	123.9 Å²	123.9	62%	0.615	64%	0.642	S	S	*	*	H	α-helix	trans	-62.4	-15.5	-176.5	171.7	0	0	0	0	114.5
203	A	46.2	Very low	44.6	Very low	63 Å²	63	118.6 Å²	118.6	52%	0.521	63%	0.627	S	S	.	*	H	α-helix	trans	-90.7	-7.3	174.9	0	0	0	0	0	113.5	S201 I207	S201-A203 PolarHBondContact O-N 3.38Å; A203-I207 VanDerWaalsContact O-CD1 3.24Å; A203-I207 WeakPolarHBondContact O-CD1 3.44Å; A203-I207 WeakPolarHBondContact O-CG1 3.17Å
204	F	42.7	Very low	45.3	Very low	139 Å²	139	115.6 Å²	115.6	61%	0.61	61%	0.613	S	S	*	*	H	α-helix	trans	-99.5	-47.6	179.5	-172.3	-103.6	0	0	0	111.3	S201 Q206 I207 V208	S201-F204 WeakPolarHBondContact O-CB 3.32Å; S201-F204 PolarHBondContact O-N 3.45Å; F204-Q206 VanDerWaalsContact C-N 3.31Å; F204-Q206 PolarHBondContact O-N 3.39Å; F204-I207 PolarHBondContact O-N 2.83Å; F204-V208 HydrophobicContact CD1-CG2 4.48Å; F204-V208 HydrophobicContact CE1-CG2 4.18Å; F204-V208 HydrophobicContact CZ-CG2 4.44Å; F204-V208 PolarHBondContact O-N 2.86Å
205	E	51.4	Low	46.1	Very low	125 Å²	125	115.9 Å²	115.9	58%	0.584	61%	0.606	S	S	*	*	H	α-helix	trans	-57.5	-42.8	177.3	-66.8	169	146.1	0	0	111.8	S201 I207 V208 E209	S201-E205 PolarHBondContact O-N 3.45Å; E205-I207 PolarHBondContact O-N 3.08Å; E205-I207 VanDerWaalsContact O-N 3.17Å; E205-V208 PolarHBondContact O-N 2.87Å; E205-E209 WeakPolarHBondContact O-CB 3.47Å; E205-E209 PolarHBondContact O-N 2.82Å
206	Q	45.2	Very low	46.9	Very low	119 Å²	119	115 Å²	115	56%	0.556	60%	0.602	S	S	*	*	H	α-helix	trans	-69.1	-8.5	177.7	-177.5	158.8	81.9	0	0	114.5	F204 Q210	F204-Q206 VanDerWaalsContact C-N 3.31Å; F204-Q206 PolarHBondContact O-N 3.39Å; Q206-Q210 WeakPolarHBondContact O-CG 3.27Å
207	I	54.4	Low	47.4	Very low	106 Å²	106	116.6 Å²	116.6	54%	0.544	61%	0.605	S	S	.	*	H	α-helix	trans	-93.9	-40.3	171.8	-65.3	176.7	0	0	0	110.3	A203 F204 E205 Q210 V211	A203-I207 VanDerWaalsContact O-CD1 3.24Å; A203-I207 WeakPolarHBondContact O-CD1 3.44Å; A203-I207 WeakPolarHBondContact O-CG1 3.17Å; F204-I207 PolarHBondContact O-N 2.83Å; E205-I207 PolarHBondContact O-N 3.08Å; E205-I207 VanDerWaalsContact O-N 3.17Å; I207-Q210 PolarHBondContact O-N 2.85Å; I207-V211 WeakPolarHBondContact O-CG2 3.36Å; I207-V211 PolarHBondContact O-N 2.91Å
208	V	52	Low	47.8	Very low	61 Å²	61	112.5 Å²	112.5	37%	0.37	59%	0.586	S	S	.	*	H	α-helix	trans	-64.3	-48.7	177.4	179.2	0	0	0	0	110.6	F204 E205 Q210 V211 D212	F204-V208 HydrophobicContact CD1-CG2 4.48Å; F204-V208 HydrophobicContact CE1-CG2 4.18Å; F204-V208 HydrophobicContact CZ-CG2 4.44Å; F204-V208 PolarHBondContact O-N 2.86Å; E205-V208 PolarHBondContact O-N 2.87Å; V208-Q210 PolarHBondContact O-N 2.94Å; V208-V211 PolarHBondContact O-N 3.1Å; V208-D212 WeakPolarHBondContact CG1-OD2 3.44Å; V208-D212 PolarHBondContact O-N 2.88Å; V208-D212 VanDerWaalsContact O-N 3.12Å
209	E	48.7	Very low	47.8	Very low	148 Å²	148	113 Å²	113	69%	0.692	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-8.9	177.8	-163.7	-179.3	-139	0	0	113.7	E205	E205-E209 WeakPolarHBondContact O-CB 3.47Å; E205-E209 PolarHBondContact O-N 2.82Å
210	Q	44.8	Very low	48	Very low	133 Å²	133	113.9 Å²	113.9	62%	0.621	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-5.2	175	-69.3	-176.7	10.3	0	0	114.1	Q206 I207 V208	Q206-Q210 WeakPolarHBondContact O-CG 3.27Å; I207-Q210 PolarHBondContact O-N 2.85Å; V208-Q210 PolarHBondContact O-N 2.94Å
211	V	51.7	Low	48.5	Very low	67 Å²	67	110.1 Å²	110.1	41%	0.406	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.3	-49.2	172.4	173.3	0	0	0	0	109.6	I207 V208 A213 H214 E215	I207-V211 WeakPolarHBondContact O-CG2 3.36Å; I207-V211 PolarHBondContact O-N 2.91Å; V208-V211 PolarHBondContact O-N 3.1Å; V211-A213 PolarHBondContact O-N 3.25Å; V211-H214 PolarHBondContact O-N 3.47Å; V211-E215 HydrophobicContact CG1-CG 4.37Å; V211-E215 PolarHBondContact O-N 3.23Å
212	D	46.8	Very low	48.5	Very low	87 Å²	87	112.4 Å²	112.4	47%	0.465	57%	0.566	S	S	.	*	H	α-helix	trans	-53.6	-43.7	178.7	-58.5	-24.3	0	0	0	111.2	V208 H214 E215 E216	V208-D212 WeakPolarHBondContact CG1-OD2 3.44Å; V208-D212 PolarHBondContact O-N 2.88Å; V208-D212 VanDerWaalsContact O-N 3.12Å; D212-H214 VanDerWaalsContact C-N 3.28Å; D212-H214 PolarHBondContact O-N 3.03Å; D212-E215 PolarHBondContact O-N 3.36Å; D212-E216 PolarHBondContact O-N 3.3Å
213	A	46.1	Very low	49	Very low	54 Å²	54	115.6 Å²	115.6	45%	0.446	57%	0.572	S	S	.	*	H	α-helix	trans	-73.4	-9.7	178.9	0	0	0	0	0	115.2	V211	V211-A213 PolarHBondContact O-N 3.25Å
214	H	44.4	Very low	49.5	Very low	108 Å²	108	119.7 Å²	119.7	50%	0.5	58%	0.58	S	S	.	*	H	α-helix	trans	-100.1	-26.5	173.7	-166.4	-56	0	0	0	111.3	V211 D212 E218	V211-H214 PolarHBondContact O-N 3.47Å; D212-H214 VanDerWaalsContact C-N 3.28Å; D212-H214 PolarHBondContact O-N 3.03Å; H214-E218 IonicContact CE1-OE1 2.63Å; H214-E218 IonicContact CE1-OE2 2.72Å; H214-E218 IonicContact ND1-OE2 2.8Å; H214-E218 PolarHBondContact O-N 3.32Å
215	E	49.6	Very low	50.2	Low	121 Å²	121	118.6 Å²	118.6	57%	0.565	57%	0.572	S	S	*	*	H	α-helix	trans	-73.4	-40.2	171.1	-66	-177.3	175.5	0	0	110.3	V211 D212 E218 E219	V211-E215 HydrophobicContact CG1-CG 4.37Å; V211-E215 PolarHBondContact O-N 3.23Å; D212-E215 PolarHBondContact O-N 3.36Å; E215-E218 PolarHBondContact O-N 2.81Å; E215-E219 PolarHBondContact O-N 2.75Å
216	E	48.2	Very low	50.3	Low	144 Å²	144	119.8 Å²	119.8	67%	0.673	58%	0.577	S	S	*	*	H	α-helix	trans	-63.6	-40.2	172.5	-71.6	-173.7	165.4	0	0	113.3	D212 E220	D212-E216 PolarHBondContact O-N 3.3Å; E216-E220 PolarHBondContact O-N 2.58Å
217	E	47.5	Very low	50.5	Low	148 Å²	148	117.1 Å²	117.1	69%	0.692	57%	0.572	S	S	*	*	H	α-helix	trans	-71.6	-28.3	177	-77.4	-170	170.8	0	0	113	E221	E217-E221 PolarHBondContact O-N 3.48Å
218	E	49.1	Very low	50.4	Low	113 Å²	113	117.6 Å²	117.6	53%	0.528	57%	0.572	S	S	.	*	H	α-helix	trans	-79.1	-35.2	174.1	-74.5	-169.7	144.8	0	0	112.5	H214 E215 E221 E222	H214-E218 IonicContact CE1-OE1 2.63Å; H214-E218 IonicContact CE1-OE2 2.72Å; H214-E218 IonicContact ND1-OE2 2.8Å; H214-E218 PolarHBondContact O-N 3.32Å; E215-E218 PolarHBondContact O-N 2.81Å; E218-E221 PolarHBondContact O-N 2.89Å; E218-E222 VanDerWaalsContact O-CG 3.28Å; E218-E222 WeakPolarHBondContact O-CG 3.42Å; E218-E222 PolarHBondContact O-N 3.26Å
219	E	51.8	Low	50.4	Low	146 Å²	146	120.9 Å²	120.9	68%	0.682	58%	0.583	S	S	*	*	H	α-helix	trans	-65.5	-42.9	173.7	-73.6	-167.2	163.2	0	0	112.4	E215 E221 E222 E223	E215-E219 PolarHBondContact O-N 2.75Å; E219-E221 PolarHBondContact O-N 2.96Å; E219-E222 PolarHBondContact O-N 2.73Å; E219-E223 PolarHBondContact O-N 3.33Å
220	E	51.6	Low	50.4	Low	152 Å²	152	119.3 Å²	119.3	71%	0.71	58%	0.576	S	S	*	*	H	α-helix	trans	-63.8	-38.7	175.1	-74.4	-162.4	161.2	0	0	112.3	E216 E224	E216-E220 PolarHBondContact O-N 2.58Å; E220-E224 PolarHBondContact O-N 3.4Å
221	E	50.8	Low	50.8	Low	116 Å²	116	119.5 Å²	119.5	54%	0.542	58%	0.576	S	S	.	*	H	α-helix	trans	-69.6	-29.3	175.2	-89.7	-150.2	-164.9	0	0	113.3	E217 E218 E219 R225	E217-E221 PolarHBondContact O-N 3.48Å; E218-E221 PolarHBondContact O-N 2.89Å; E219-E221 PolarHBondContact O-N 2.96Å; E221-R225 WeakPolarHBondContact O-CB 3.21Å; E221-R225 WeakPolarHBondContact O-CD 3.38Å; E221-R225 WeakPolarHBondContact O-CG 3.29Å; E221-R225 PolarHBondContact O-N 3.12Å; E221-R225 PolarHBondContact O-NE 3.22Å; E221-R225 IonicContact OE2-CZ 3.75Å; E221-R225 IonicContact OE2-NE 3.77Å; E221-R225 IonicContact OE2-NH2 3.79Å; E221-R225 PolarHBondContact OE2-NH2 3.28Å
222	E	51.5	Low	50.6	Low	122 Å²	122	120.5 Å²	120.5	57%	0.57	58%	0.576	S	S	*	*	H	α-helix	trans	-75.1	-40.4	174.2	-59.9	-129.2	123.6	0	0	111.7	E218 E219 R225 E226	E218-E222 VanDerWaalsContact O-CG 3.28Å; E218-E222 WeakPolarHBondContact O-CG 3.42Å; E218-E222 PolarHBondContact O-N 3.26Å; E219-E222 PolarHBondContact O-N 2.73Å; E222-R225 PolarHBondContact O-N 2.68Å; E222-R225 IonicContact OE1-NH1 2.68Å; E222-R225 PolarHBondContact OE1-NH1 3.13Å; E222-R225 VanDerWaalsContact OE1-NH1 3.1Å; E222-E226 PolarHBondContact O-N 2.6Å
223	E	55.2	Low	50.6	Low	156 Å²	156	121.5 Å²	121.5	73%	0.729	58%	0.577	S	S	*	*	H	α-helix	trans	-62.5	-42.8	173.6	-75.6	-152.7	157.2	0	0	112.3	E219 R225 E226 S227	E219-E223 PolarHBondContact O-N 3.33Å; E223-R225 VanDerWaalsContact C-N 3.34Å; E223-R225 PolarHBondContact O-N 2.92Å; E223-E226 PolarHBondContact O-N 3.06Å; E223-S227 WeakPolarHBondContact O-CB 3.43Å; E223-S227 PolarHBondContact O-N 2.82Å
224	E	55.3	Low	50.4	Low	148 Å²	148	124 Å²	124	69%	0.692	58%	0.578	S	S	*	*	H	α-helix	trans	-61.9	-41.8	175	-79.6	-149	150.4	0	0	111.4	E220 S227 E228	E220-E224 PolarHBondContact O-N 3.4Å; E224-S227 PolarHBondContact O-N 2.94Å; E224-S227 PolarHBondContact O-OG 2.85Å; E224-E228 PolarHBondContact O-N 2.76Å
225	R	57.8	Low	50.2	Low	117 Å²	117	125 Å²	125	44%	0.442	58%	0.583	S	S	.	*	H	α-helix	trans	-64.4	-46.3	177.7	-72.9	172.2	-142.1	152.9	1	112.5	E221 E222 E223 S227 E228 E229	E221-R225 WeakPolarHBondContact O-CB 3.21Å; E221-R225 WeakPolarHBondContact O-CD 3.38Å; E221-R225 WeakPolarHBondContact O-CG 3.29Å; E221-R225 PolarHBondContact O-N 3.12Å; E221-R225 PolarHBondContact O-NE 3.22Å; E221-R225 IonicContact OE2-CZ 3.75Å; E221-R225 IonicContact OE2-NE 3.77Å; E221-R225 IonicContact OE2-NH2 3.79Å; E221-R225 PolarHBondContact OE2-NH2 3.28Å; E222-R225 PolarHBondContact O-N 2.68Å; E222-R225 IonicContact OE1-NH1 2.68Å; E222-R225 PolarHBondContact OE1-NH1 3.13Å; E222-R225 VanDerWaalsContact OE1-NH1 3.1Å; E223-R225 VanDerWaalsContact C-N 3.34Å; E223-R225 PolarHBondContact O-N 2.92Å; R225-S227 VanDerWaalsContact C-N 3.3Å; R225-S227 PolarHBondContact O-N 2.88Å; R225-E228 PolarHBondContact O-N 2.96Å; R225-E229 WeakPolarHBondContact O-CG 3.5Å; R225-E229 PolarHBondContact O-N 3.49Å
226	E	54.4	Low	49.7	Very low	149 Å²	149	125.1 Å²	125.1	70%	0.696	58%	0.582	S	S	*	*	H	α-helix	trans	-61.8	-39.9	175.6	-73.3	-150.7	147.3	0	0	111.2	E222 E223 E228 E229 E230	E222-E226 PolarHBondContact O-N 2.6Å; E223-E226 PolarHBondContact O-N 3.06Å; E226-E228 PolarHBondContact O-N 3.21Å; E226-E229 PolarHBondContact O-N 2.78Å; E226-E230 WeakPolarHBondContact O-CB 3.49Å; E226-E230 PolarHBondContact O-N 3.02Å
227	S	49.4	Very low	49.2	Very low	63 Å²	63	122.6 Å²	122.6	44%	0.441	57%	0.573	S	S	.	*	H	α-helix	trans	-63.9	-40.9	176.9	84.9	0	0	0	0	112.7	E223 E224 R225 E230 E231	E223-S227 WeakPolarHBondContact O-CB 3.43Å; E223-S227 PolarHBondContact O-N 2.82Å; E224-S227 PolarHBondContact O-N 2.94Å; E224-S227 PolarHBondContact O-OG 2.85Å; R225-S227 VanDerWaalsContact C-N 3.3Å; R225-S227 PolarHBondContact O-N 2.88Å; S227-E230 PolarHBondContact O-N 3.2Å; S227-E231 WeakPolarHBondContact O-CG 3.41Å; S227-E231 PolarHBondContact O-N 2.86Å
228	E	52.4	Low	48.6	Very low	116 Å²	116	122 Å²	122	54%	0.542	57%	0.568	S	S	.	*	H	α-helix	trans	-69	-35.5	176	-93.3	-145	168.9	0	0	112.1	E224 R225 E226 K232	E224-E228 PolarHBondContact O-N 2.76Å; R225-E228 PolarHBondContact O-N 2.96Å; E226-E228 PolarHBondContact O-N 3.21Å; E228-K232 WeakPolarHBondContact O-CB 3.25Å; E228-K232 WeakPolarHBondContact O-CD 3.28Å; E228-K232 WeakPolarHBondContact O-CE 3.48Å; E228-K232 WeakPolarHBondContact O-CG 3.49Å; E228-K232 PolarHBondContact O-N 3.44Å; E228-K232 WeakPolarHBondContact OE2-CE 3.42Å; E228-K232 IonicContact OE2-NZ 3.73Å; E228-K232 PolarHBondContact OE2-NZ 3.31Å
229	E	51.7	Low	48	Very low	130 Å²	130	122.4 Å²	122.4	61%	0.607	58%	0.578	S	S	*	*	H	α-helix	trans	-70.5	-40.7	174.3	-67.1	-119.9	121.9	0	0	111.2	R225 E226 K232 E233	R225-E229 WeakPolarHBondContact O-CG 3.5Å; R225-E229 PolarHBondContact O-N 3.49Å; E226-E229 PolarHBondContact O-N 2.78Å; E229-K232 PolarHBondContact O-N 2.79Å; E229-E233 WeakPolarHBondContact O-CB 3.42Å; E229-E233 WeakPolarHBondContact O-CG 3.39Å; E229-E233 PolarHBondContact O-N 2.68Å
230	E	48.7	Very low	47.4	Very low	115 Å²	115	121.2 Å²	121.2	54%	0.537	58%	0.581	S	S	.	*	H	α-helix	trans	-59.4	-44.4	170.9	-92.2	-135.1	126.3	0	0	112.1	E226 S227 E233 K234	E226-E230 WeakPolarHBondContact O-CB 3.49Å; E226-E230 PolarHBondContact O-N 3.02Å; S227-E230 PolarHBondContact O-N 3.2Å; E230-E233 PolarHBondContact O-N 3.43Å; E230-K234 VanDerWaalsContact CD-NZ 3.32Å; E230-K234 WeakPolarHBondContact O-CB 3.32Å; E230-K234 VanDerWaalsContact O-CD 3.26Å; E230-K234 WeakPolarHBondContact O-CD 3.21Å; E230-K234 WeakPolarHBondContact O-CG 3.32Å; E230-K234 PolarHBondContact O-N 2.71Å; E230-K234 IonicContact OE1-NZ 2.78Å; E230-K234 WeakPolarHBondContact OE2-CE 3.18Å; E230-K234 IonicContact OE2-NZ 2.72Å; E230-K234 PolarHBondContact OE2-NZ 3.41Å
231	E	53.1	Low	46.8	Very low	137 Å²	137	119.2 Å²	119.2	64%	0.64	58%	0.575	S	S	*	*	H	α-helix	trans	-63.7	-40.3	175.7	-75.5	-119.1	124.2	0	0	111.6	S227 K234 E235	S227-E231 WeakPolarHBondContact O-CG 3.41Å; S227-E231 PolarHBondContact O-N 2.86Å; E231-K234 PolarHBondContact O-N 2.59Å; E231-E235 PolarHBondContact O-N 3.32Å
232	K	47.6	Very low	46.2	Very low	89 Å²	89	120.1 Å²	120.1	39%	0.387	58%	0.583	S	S	.	*	H	α-helix	trans	-68.9	-35.5	176.4	-69	159.2	-158.9	159.3	0	112.4	E228 E229 K236	E228-K232 WeakPolarHBondContact O-CB 3.25Å; E228-K232 WeakPolarHBondContact O-CD 3.28Å; E228-K232 WeakPolarHBondContact O-CE 3.48Å; E228-K232 WeakPolarHBondContact O-CG 3.49Å; E228-K232 PolarHBondContact O-N 3.44Å; E228-K232 WeakPolarHBondContact OE2-CE 3.42Å; E228-K232 IonicContact OE2-NZ 3.73Å; E228-K232 PolarHBondContact OE2-NZ 3.31Å; E229-K232 PolarHBondContact O-N 2.79Å; K232-K236 WeakPolarHBondContact O-CB 3.45Å; K232-K236 WeakPolarHBondContact O-CD 3.35Å; K232-K236 WeakPolarHBondContact O-CG 3.5Å; K232-K236 PolarHBondContact O-N 3.3Å
233	E	45.8	Very low	45.9	Very low	108 Å²	108	122.6 Å²	122.6	51%	0.505	59%	0.592	S	S	.	*	H	α-helix	trans	-63.1	-48.1	168.8	-81.5	-88.1	113.2	0	0	110.8	E229 E230 E235 K236 N237	E229-E233 WeakPolarHBondContact O-CB 3.42Å; E229-E233 WeakPolarHBondContact O-CG 3.39Å; E229-E233 PolarHBondContact O-N 2.68Å; E230-E233 PolarHBondContact O-N 3.43Å; E233-E235 PolarHBondContact O-N 2.84Å; E233-K236 PolarHBondContact O-N 3.27Å; E233-N237 WeakPolarHBondContact O-CB 3.26Å; E233-N237 PolarHBondContact O-N 2.82Å; E233-N237 PolarHBondContact O-ND2 2.87Å
234	K	42.7	Very low	45.6	Very low	106 Å²	106	117.9 Å²	117.9	46%	0.461	57%	0.572	S	S	.	*	H	α-helix	trans	-60.7	-41.6	177.6	-71.3	159.2	-165.7	165.9	0	111.4	E230 E231 K238	E230-K234 VanDerWaalsContact CD-NZ 3.32Å; E230-K234 WeakPolarHBondContact O-CB 3.32Å; E230-K234 VanDerWaalsContact O-CD 3.26Å; E230-K234 WeakPolarHBondContact O-CD 3.21Å; E230-K234 WeakPolarHBondContact O-CG 3.32Å; E230-K234 PolarHBondContact O-N 2.71Å; E230-K234 IonicContact OE1-NZ 2.78Å; E230-K234 WeakPolarHBondContact OE2-CE 3.18Å; E230-K234 IonicContact OE2-NZ 2.72Å; E230-K234 PolarHBondContact OE2-NZ 3.41Å; E231-K234 PolarHBondContact O-N 2.59Å; K234-K238 WeakPolarHBondContact O-CB 3.26Å; K234-K238 PolarHBondContact O-N 2.89Å
235	E	39.4	Very low	45.2	Very low	130 Å²	130	113.8 Å²	113.8	61%	0.607	57%	0.57	S	S	*	*	H	α-helix	trans	-66.4	-46	173.4	-75.8	-133.1	120.8	0	0	113	E231 E233 N237 K238 V239	E231-E235 PolarHBondContact O-N 3.32Å; E233-E235 PolarHBondContact O-N 2.84Å; E235-N237 VanDerWaalsContact C-N 3.35Å; E235-N237 PolarHBondContact O-N 3.16Å; E235-K238 PolarHBondContact O-N 2.76Å; E235-V239 WeakPolarHBondContact O-CG2 3.41Å; E235-V239 PolarHBondContact O-N 2.93Å
236	K	38.9	Very low	44.6	Very low	122 Å²	122	109.3 Å²	109.3	53%	0.53	55%	0.553	S	S	.	*	H	α-helix	trans	-57.3	-48	176.2	-73.6	162.5	-167.8	161.8	0	111.2	K232 E233 V239 V240	K232-K236 WeakPolarHBondContact O-CB 3.45Å; K232-K236 WeakPolarHBondContact O-CD 3.35Å; K232-K236 WeakPolarHBondContact O-CG 3.5Å; K232-K236 PolarHBondContact O-N 3.3Å; E233-K236 PolarHBondContact O-N 3.27Å; K236-V239 PolarHBondContact O-N 3.06Å; K236-V240 PolarHBondContact O-N 2.66Å
237	N	39.3	Very low	44.5	Very low	92 Å²	92	104.5 Å²	104.5	49%	0.492	54%	0.536	S	S	.	.	H	α-helix	trans	-63.2	-44.4	178.2	-72.4	-39.1	0	0	0	111.1	E233 E235 V239 V240 D241	E233-N237 WeakPolarHBondContact O-CB 3.26Å; E233-N237 PolarHBondContact O-N 2.82Å; E233-N237 PolarHBondContact O-ND2 2.87Å; E235-N237 VanDerWaalsContact C-N 3.35Å; E235-N237 PolarHBondContact O-N 3.16Å; N237-V239 VanDerWaalsContact C-N 3.26Å; N237-V239 PolarHBondContact O-N 2.85Å; N237-V240 PolarHBondContact O-N 2.88Å; N237-D241 VanDerWaalsContact O-CB 3.3Å; N237-D241 WeakPolarHBondContact O-CB 3.47Å; N237-D241 PolarHBondContact O-N 2.65Å
238	K	34.3	Very low	44.9	Very low	134 Å²	134	104.5 Å²	104.5	58%	0.583	54%	0.536	S	S	*	.	H	α-helix	trans	-62.3	-25.8	176.5	-172	179.3	-172	-179.8	0	113.8	K234 E235 N242	K234-K238 WeakPolarHBondContact O-CB 3.26Å; K234-K238 PolarHBondContact O-N 2.89Å; E235-K238 PolarHBondContact O-N 2.76Å; K238-N242 PolarHBondContact O-ND2 3.23Å
239	V	36.1	Very low	45.4	Very low	122 Å²	122	99.9 Å²	99.9	74%	0.739	52%	0.516	S	S	*	.	H	α-helix	trans	-78.4	-28.7	172.6	170.8	0	0	0	0	112.5	E235 K236 N237	E235-V239 WeakPolarHBondContact O-CG2 3.41Å; E235-V239 PolarHBondContact O-N 2.93Å; K236-V239 PolarHBondContact O-N 3.06Å; N237-V239 VanDerWaalsContact C-N 3.26Å; N237-V239 PolarHBondContact O-N 2.85Å
240	V	39.3	Very low	46	Very low	122 Å²	122	96.8 Å²	96.8	74%	0.739	50%	0.501	S	S	*	.	H	α-helix	trans	-85.5	-39	178.4	177.5	0	0	0	0	112.3	K236 N237 N242	K236-V240 PolarHBondContact O-N 2.66Å; N237-V240 PolarHBondContact O-N 2.88Å; V240-N242 PolarHBondContact O-N 2.85Å
241	D	39.6	Very low	46.8	Very low	110 Å²	110	95.9 Å²	95.9	59%	0.588	50%	0.496	S	S	*	.	S	Bend	trans	-80.8	-10.4	-169.7	-164.1	36.9	0	0	0	114.4	N237 K243 D244	N237-D241 VanDerWaalsContact O-CB 3.3Å; N237-D241 WeakPolarHBondContact O-CB 3.47Å; N237-D241 PolarHBondContact O-N 2.65Å; D241-K243 PolarHBondContact O-N 2.95Å; D241-D244 PolarHBondContact O-N 3.49Å; D241-D244 VanDerWaalsContact O-N 3.12Å
242	N	38.8	Very low	47.5	Very low	134 Å²	134	92.9 Å²	92.9	72%	0.717	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	22.9	-178.4	-107.4	-64.6	0	0	0	115.4	K238 V240	K238-N242 PolarHBondContact O-ND2 3.23Å; V240-N242 PolarHBondContact O-N 2.85Å
243	K	44.1	Very low	48.3	Very low	174 Å²	174	88.7 Å²	88.7	76%	0.757	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.1	0.1	172.6	-105.3	179.8	178.6	179.5	0	115.3	D241	D241-K243 PolarHBondContact O-N 2.95Å
244	D	49.8	Very low	49.1	Very low	58 Å²	58	84.6 Å²	84.6	31%	0.31	44%	0.443	S	S	.	.			trans	-126.4	42.9	-177.4	-145.1	22.7	0	0	0	114.2	D241 F246 Q498	D241-D244 PolarHBondContact O-N 3.49Å; D241-D244 VanDerWaalsContact O-N 3.12Å; D244-F246 PolarHBondContact O-N 2.86Å; D244-F246 VanDerWaalsContact OD1-CB 3.31Å; D244-F246 WeakPolarHBondContact OD1-CB 3.3Å; D244-Q498 PolarHBondContact OD2-NE2 2.86Å
245	G	45.7	Very low	49.9	Very low	62 Å²	62	82.3 Å²	82.3	64%	0.639	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	15.6	168.4	0	0	0	0	0	115.8
246	F	44.9	Very low	50.8	Low	23 Å²	23	76.6 Å²	76.6	10%	0.101	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-67.7	174.5	-179.8	-78.2	0	0	0	110.4	D244 S248 T249 T497 Q498 E501	D244-F246 PolarHBondContact O-N 2.86Å; D244-F246 VanDerWaalsContact OD1-CB 3.31Å; D244-F246 WeakPolarHBondContact OD1-CB 3.3Å; F246-S248 PolarHBondContact O-N 2.67Å; F246-S248 VanDerWaalsContact O-N 3.16Å; F246-T249 PolarHBondContact O-N 3.17Å; F246-T249 VanDerWaalsContact O-N 3.09Å; F246-T497 HydrophobicContact CE1-CG2 4.14Å; F246-T497 HydrophobicContact CZ-CG2 4.11Å; F246-T497 VanDerWaalsContact CZ-O 3.31Å; F246-T497 WeakPolarHBondContact CZ-O 3.32Å; F246-Q498 HydrophobicContact CD1-CG 4.49Å; F246-Q498 HydrophobicContact CE1-CG 4.1Å; F246-Q498 WeakPolarHBondContact CE2-O 3.39Å; F246-Q498 HydrophobicContact CZ-CB 4.36Å; F246-Q498 HydrophobicContact CZ-CG 4.31Å; F246-E501 WeakPolarHBondContact CA-OE1 3.47Å; F246-E501 HydrophobicContact CD2-CB 4.22Å; F246-E501 HydrophobicContact CD2-CG 3.69Å; F246-E501 WeakPolarHBondContact CD2-OE1 3.47Å; F246-E501 HydrophobicContact CE2-CB 3.31Å; F246-E501 VanDerWaalsContact CE2-CD 3.46Å; F246-E501 HydrophobicContact CE2-CG 3.28Å; F246-E501 WeakPolarHBondContact CG-OE1 3.49Å; F246-E501 HydrophobicContact CZ-CB 3.51Å; F246-E501 HydrophobicContact CZ-CG 3.76Å
247	S	53.1	Low	51.4	Low	47 Å²	47	70.8 Å²	70.8	33%	0.329	38%	0.383	S	S	.	.	H	α-helix	trans	-60.1	-40.2	-171.1	-145.8	0	0	0	0	110.8	T249 F250 E251	S247-T249 VanDerWaalsContact C-N 3.28Å; S247-T249 PolarHBondContact O-N 3.3Å; S247-T249 VanDerWaalsContact O-N 3.14Å; S247-F250 PolarHBondContact O-N 3.17Å; S247-F250 VanDerWaalsContact O-N 3.13Å; S247-E251 WeakPolarHBondContact CB-OE1 3.23Å; S247-E251 VanDerWaalsContact O-CB 3.29Å; S247-E251 WeakPolarHBondContact O-CB 3.3Å; S247-E251 VanDerWaalsContact O-CG 3.26Å; S247-E251 WeakPolarHBondContact O-CG 3.23Å; S247-E251 PolarHBondContact O-N 2.58Å; S247-E251 VanDerWaalsContact OG-CD 3.25Å; S247-E251 PolarHBondContact OG-OE1 3.02Å
248	S	58.7	Low	51.9	Low	64 Å²	64	67.4 Å²	67.4	45%	0.448	37%	0.365	S	S	.	.	H	α-helix	trans	-51.3	-37.1	178.2	-176.2	0	0	0	0	114.3	F246 E251 R252	F246-S248 PolarHBondContact O-N 2.67Å; F246-S248 VanDerWaalsContact O-N 3.16Å; S248-E251 PolarHBondContact N-OE2 2.92Å; S248-R252 WeakPolarHBondContact O-CB 3.21Å; S248-R252 PolarHBondContact O-N 2.9Å
249	T	61.6	Low	52.3	Low	19 Å²	19	67.6 Å²	67.6	12%	0.117	37%	0.372	C	S	.	.	H	α-helix	trans	-77.6	-39.1	-179.7	-69.5	0	0	0	0	112.3	F246 S247 R252 I253	F246-T249 PolarHBondContact O-N 3.17Å; F246-T249 VanDerWaalsContact O-N 3.09Å; S247-T249 VanDerWaalsContact C-N 3.28Å; S247-T249 PolarHBondContact O-N 3.3Å; S247-T249 VanDerWaalsContact O-N 3.14Å; T249-R252 PolarHBondContact OG1-NH2 3.34Å; T249-I253 HydrophobicContact CG2-CD1 4.29Å; T249-I253 WeakPolarHBondContact O-CD1 3.28Å; T249-I253 VanDerWaalsContact O-CG1 3.27Å; T249-I253 WeakPolarHBondContact O-CG1 3.48Å; T249-I253 PolarHBondContact O-N 3.28Å
250	F	64.8	Low	53.2	Low	65 Å²	65	67.4 Å²	67.4	29%	0.285	36%	0.358	S	S	.	.	H	α-helix	trans	-66.6	-46.9	173.8	-172	-86.2	0	0	0	111.2	S247 I253 V254 L534	S247-F250 PolarHBondContact O-N 3.17Å; S247-F250 VanDerWaalsContact O-N 3.13Å; F250-I253 PolarHBondContact O-N 3.37Å; F250-V254 HydrophobicContact CD1-CG2 4.33Å; F250-V254 HydrophobicContact CE1-CG2 4.17Å; F250-V254 WeakPolarHBondContact O-CG2 3.36Å; F250-V254 PolarHBondContact O-N 2.88Å; F250-V254 VanDerWaalsContact O-N 3.16Å; F250-L534 HydrophobicContact CD2-CD1 4.29Å; F250-L534 HydrophobicContact CE2-CD1 3.92Å; F250-L534 HydrophobicContact CE2-CD2 3.72Å; F250-L534 HydrophobicContact CE2-CG 3.91Å; F250-L534 HydrophobicContact CZ-CD1 4.36Å; F250-L534 HydrophobicContact CZ-CD2 3.76Å; F250-L534 HydrophobicContact CZ-CG 4.4Å
251	E	65.4	Low	53.3	Low	96 Å²	96	63 Å²	63	45%	0.449	34%	0.336	S	S	.	.	H	α-helix	trans	-58.5	-48.6	175.7	-73.2	160.9	179.9	0	0	111.4	S247 S248 I253 V254 E255	S247-E251 WeakPolarHBondContact CB-OE1 3.23Å; S247-E251 VanDerWaalsContact O-CB 3.29Å; S247-E251 WeakPolarHBondContact O-CB 3.3Å; S247-E251 VanDerWaalsContact O-CG 3.26Å; S247-E251 WeakPolarHBondContact O-CG 3.23Å; S247-E251 PolarHBondContact O-N 2.58Å; S247-E251 VanDerWaalsContact OG-CD 3.25Å; S247-E251 PolarHBondContact OG-OE1 3.02Å; S248-E251 PolarHBondContact N-OE2 2.92Å; E251-I253 VanDerWaalsContact C-N 3.27Å; E251-I253 PolarHBondContact O-N 2.83Å; E251-V254 CarbonylContact O-C 3.14Å; E251-V254 WeakPolarHBondContact O-CA 3.46Å; E251-V254 WeakPolarHBondContact O-CB 3.28Å; E251-V254 PolarHBondContact O-N 2.94Å; E251-E255 WeakPolarHBondContact O-CG 3.49Å; E251-E255 PolarHBondContact O-N 3.39Å
252	R	67.3	Low	53.5	Low	74 Å²	74	59 Å²	59	28%	0.279	32%	0.322	S	S	.	.	H	α-helix	trans	-60.1	-31.7	178.2	178.2	169.9	54.9	100.4	5.9	113.4	S248 T249 S256 L560	S248-R252 WeakPolarHBondContact O-CB 3.21Å; S248-R252 PolarHBondContact O-N 2.9Å; T249-R252 PolarHBondContact OG1-NH2 3.34Å; R252-S256 VanDerWaalsContact O-CB 3.28Å; R252-S256 WeakPolarHBondContact O-CB 3.48Å; R252-S256 PolarHBondContact O-N 2.85Å; R252-S256 VanDerWaalsContact O-N 3.11Å; R252-S256 PolarHBondContact O-OG 2.73Å; R252-L560 HydrophobicContact CG-CD2 3.69Å; R252-L560 PolarHBondContact NH1-O 2.86Å
253	I	64.9	Low	53.6	Low	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-71.9	-31.8	171.7	-67.3	162.7	0	0	0	111.9	T249 F250 E251 S256 Y265 T527 C530 A531 L534 L557 L560	T249-I253 HydrophobicContact CG2-CD1 4.29Å; T249-I253 WeakPolarHBondContact O-CD1 3.28Å; T249-I253 VanDerWaalsContact O-CG1 3.27Å; T249-I253 WeakPolarHBondContact O-CG1 3.48Å; T249-I253 PolarHBondContact O-N 3.28Å; F250-I253 PolarHBondContact O-N 3.37Å; E251-I253 VanDerWaalsContact C-N 3.27Å; E251-I253 PolarHBondContact O-N 2.83Å; I253-S256 PolarHBondContact O-OG 2.67Å; I253-S256 VanDerWaalsContact O-OG 3.07Å; I253-Y265 HydrophobicContact CG2-CD2 4.43Å; I253-Y265 HydrophobicContact CG2-CE2 3.58Å; I253-Y265 WeakPolarHBondContact O-CE2 3.48Å; I253-T527 HydrophobicContact CD1-CG2 3.97Å; I253-T527 HydrophobicContact CG1-CG2 4.16Å; I253-C530 HydrophobicContact CD1-CB 4.34Å; I253-A531 HydrophobicContact CD1-CB 4.44Å; I253-L534 HydrophobicContact CG2-CD1 3.95Å; I253-L557 HydrophobicContact CG1-CD2 4.48Å; I253-L560 HydrophobicContact CB-CD1 4.31Å; I253-L560 HydrophobicContact CG1-CD1 3.71Å
254	V	61.8	Low	53.3	Low	23 Å²	23	48.5 Å²	48.5	14%	0.139	28%	0.279	C	S	.	.	H	α-helix	trans	-79.9	-42	176.9	175.2	0	0	0	0	111.4	F250 E251 A257 L258 Y265	F250-V254 HydrophobicContact CD1-CG2 4.33Å; F250-V254 HydrophobicContact CE1-CG2 4.17Å; F250-V254 WeakPolarHBondContact O-CG2 3.36Å; F250-V254 PolarHBondContact O-N 2.88Å; F250-V254 VanDerWaalsContact O-N 3.16Å; E251-V254 CarbonylContact O-C 3.14Å; E251-V254 WeakPolarHBondContact O-CA 3.46Å; E251-V254 WeakPolarHBondContact O-CB 3.28Å; E251-V254 PolarHBondContact O-N 2.94Å; V254-A257 WeakPolarHBondContact O-CB 3.39Å; V254-A257 PolarHBondContact O-N 2.85Å; V254-L258 HydrophobicContact CG1-CD1 4.25Å; V254-L258 WeakPolarHBondContact O-CG 3.42Å; V254-L258 PolarHBondContact O-N 2.82Å; V254-L258 VanDerWaalsContact O-N 3.12Å; V254-Y265 HydrophobicContact CG2-CD2 4.29Å
255	E	59.8	Low	52.9	Low	57 Å²	57	46.5 Å²	46.5	27%	0.266	27%	0.267	S	S	.	.	H	α-helix	trans	-70.3	-37	-179.9	-67	-142	124.7	0	0	112.7	E251 A257 L258 L259 S757 K759	E251-E255 WeakPolarHBondContact O-CG 3.49Å; E251-E255 PolarHBondContact O-N 3.39Å; E255-A257 VanDerWaalsContact C-N 3.26Å; E255-A257 PolarHBondContact O-N 2.76Å; E255-L258 PolarHBondContact O-N 3.15Å; E255-L258 VanDerWaalsContact O-N 3.16Å; E255-L259 WeakPolarHBondContact O-CB 3.45Å; E255-L259 WeakPolarHBondContact O-CG 3.22Å; E255-L259 PolarHBondContact O-N 3.5Å; E255-S757 WeakPolarHBondContact OE1-CB 3.46Å; E255-S757 PolarHBondContact OE1-OG 3.48Å; E255-K759 IonicContact OE1-NZ 3.06Å; E255-K759 PolarHBondContact OE1-NZ 3.49Å; E255-K759 IonicContact OE2-NZ 3.43Å
256	S	58.6	Low	52.4	Low	11 Å²	11	45.6 Å²	45.6	8%	0.077	25%	0.25	C	S	.	.	H	α-helix	trans	-58.7	-38.8	173	66.7	0	0	0	0	112.2	R252 I253 R260 N556	R252-S256 VanDerWaalsContact O-CB 3.28Å; R252-S256 WeakPolarHBondContact O-CB 3.48Å; R252-S256 PolarHBondContact O-N 2.85Å; R252-S256 VanDerWaalsContact O-N 3.11Å; R252-S256 PolarHBondContact O-OG 2.73Å; I253-S256 PolarHBondContact O-OG 2.67Å; I253-S256 VanDerWaalsContact O-OG 3.07Å; S256-R260 PolarHBondContact O-N 2.92Å; S256-N556 PolarHBondContact OG-O 3.06Å
257	A	52.7	Low	51.9	Low	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.2	-38.1	176.2	0	0	0	0	0	112.2	V254 E255 G261 G262 Y265 N556	V254-A257 WeakPolarHBondContact O-CB 3.39Å; V254-A257 PolarHBondContact O-N 2.85Å; E255-A257 VanDerWaalsContact C-N 3.26Å; E255-A257 PolarHBondContact O-N 2.76Å; A257-G261 PolarHBondContact O-N 2.87Å; A257-G262 PolarHBondContact O-N 3.45Å; A257-G262 VanDerWaalsContact O-N 3.08Å; A257-Y265 HydrophobicContact CB-CD2 4.09Å; A257-Y265 HydrophobicContact CB-CE2 4.27Å; A257-N556 HydrophobicContact CB-CB 4.21Å; A257-N556 VanDerWaalsContact CB-CG 3.45Å; A257-N556 WeakPolarHBondContact CB-OD1 3.42Å
258	L	47.8	Very low	50.9	Low	20 Å²	20	45 Å²	45	11%	0.105	25%	0.247	C	C	.	.	H	α-helix	trans	-66.4	-48.9	176.3	-72.8	169.2	0	0	0	111.9	V254 E255 G261 S757 K760	V254-L258 HydrophobicContact CG1-CD1 4.25Å; V254-L258 WeakPolarHBondContact O-CG 3.42Å; V254-L258 PolarHBondContact O-N 2.82Å; V254-L258 VanDerWaalsContact O-N 3.12Å; E255-L258 PolarHBondContact O-N 3.15Å; E255-L258 VanDerWaalsContact O-N 3.16Å; L258-G261 PolarHBondContact O-N 3.05Å; L258-S757 WeakPolarHBondContact CD1-O 3.11Å; L258-K760 HydrophobicContact CD2-CD 4.47Å; L258-K760 PolarHBondContact O-NZ 3.23Å; L258-K760 VanDerWaalsContact O-NZ 3.15Å
259	L	44.7	Very low	49.7	Very low	139 Å²	139	43.3 Å²	43.3	73%	0.728	23%	0.233	S	C	*	.	H	α-helix	trans	-62.7	-45.8	-177.1	-74.5	168.9	0	0	0	112.4	E255 G261	E255-L259 WeakPolarHBondContact O-CB 3.45Å; E255-L259 WeakPolarHBondContact O-CG 3.22Å; E255-L259 PolarHBondContact O-N 3.5Å; L259-G261 PolarHBondContact O-N 2.86Å
260	R	53.9	Low	48.3	Very low	118 Å²	118	44 Å²	44	45%	0.445	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	4.7	178.5	-72.4	-173	-75.1	-112.2	0.9	114.1	S256 G262 S555 D558	S256-R260 PolarHBondContact O-N 2.92Å; R260-G262 VanDerWaalsContact C-N 3.3Å; R260-G262 PolarHBondContact O-N 3.2Å; R260-S555 VanDerWaalsContact CZ-O 3.22Å; R260-S555 PolarHBondContact NE-O 3.11Å; R260-S555 PolarHBondContact NH2-O 2.83Å; R260-D558 PolarHBondContact NH1-O 3.39Å; R260-D558 PolarHBondContact NH2-O 2.53Å
261	G	42.3	Very low	46.8	Very low	28 Å²	28	44.5 Å²	44.5	29%	0.289	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	31.2	174.9	0	0	0	0	0	113.9	A257 L258 L259	A257-G261 PolarHBondContact O-N 2.87Å; L258-G261 PolarHBondContact O-N 3.05Å; L259-G261 PolarHBondContact O-N 2.86Å
262	G	43.2	Very low	45.3	Very low	27 Å²	27	40.6 Å²	40.6	28%	0.278	23%	0.227	S	C	.	.			trans	-69	-177.1	172.8	0	0	0	0	0	112.4	A257 R260 C264	A257-G262 PolarHBondContact O-N 3.45Å; A257-G262 VanDerWaalsContact O-N 3.08Å; R260-G262 VanDerWaalsContact C-N 3.3Å; R260-G262 PolarHBondContact O-N 3.2Å; G262-C264 PolarHBondContact O-N 2.92Å
263	T	40.4	Very low	43.7	Very low	40 Å²	40	37.9 Å²	37.9	25%	0.245	22%	0.218	C	C	.	.			trans	-69	121.6	159.1	38.8	0	0	0	0	107.4	Q552	T263-Q552 VanDerWaalsContact CG2-NE2 3.29Å; T263-Q552 PolarHBondContact OG1-NE2 3.42Å
264	C	38.2	Very low	42	Very low	48 Å²	48	40.6 Å²	40.6	32%	0.324	23%	0.232	S	C	.	.			trans	-51.9	143.4	175.3	-46.2	0	0	0	0	110.3	G262 S266	G262-C264 PolarHBondContact O-N 2.92Å; C264-S266 PolarHBondContact O-N 2.85Å
265	Y	40.7	Very low	40.5	Very low	16 Å²	16	40.8 Å²	40.8	6%	0.063	23%	0.234	C	C	.	.			trans	-62	114.9	152.1	-71.2	-77.9	0	0	0	106.6	I253 V254 A257 S267 L534 M548 N556	I253-Y265 HydrophobicContact CG2-CD2 4.43Å; I253-Y265 HydrophobicContact CG2-CE2 3.58Å; I253-Y265 WeakPolarHBondContact O-CE2 3.48Å; V254-Y265 HydrophobicContact CG2-CD2 4.29Å; A257-Y265 HydrophobicContact CB-CD2 4.09Å; A257-Y265 HydrophobicContact CB-CE2 4.27Å; Y265-S267 VanDerWaalsContact C-N 3.34Å; Y265-S267 PolarHBondContact O-N 2.96Å; Y265-L534 HydrophobicContact CD1-CB 4.12Å; Y265-L534 HydrophobicContact CD1-CD1 4.3Å; Y265-L534 HydrophobicContact CD1-CD2 4.32Å; Y265-L534 HydrophobicContact CE1-CB 3.71Å; Y265-L534 HydrophobicContact CE1-CD1 4.13Å; Y265-L534 HydrophobicContact CE1-CG 4.41Å; Y265-M548 HydrophobicContact CD1-CE 3.76Å; Y265-M548 HydrophobicContact CE1-CE 3.42Å; Y265-M548 VanDerWaalsContact CE1-CE 3.42Å; Y265-M548 HydrophobicContact CE1-SD 4.42Å; Y265-M548 HydrophobicContact CE2-CE 4.25Å; Y265-M548 HydrophobicContact CG-CE 4.3Å; Y265-N556 HydrophobicContact CE2-CB 4.28Å
266	S	36.3	Very low	39	Very low	42 Å²	42	39.3 Å²	39.3	29%	0.294	23%	0.228	S	C	.	.			trans	-75.4	88.1	-178.4	-170.7	0	0	0	0	109.7	C264 L268 D269 S270	C264-S266 PolarHBondContact O-N 2.85Å; S266-L268 PolarHBondContact O-N 3.2Å; S266-D269 PolarHBondContact O-N 3.47Å; S266-D269 PolarHBondContact OG-N 3.34Å; S266-D269 PolarHBondContact OG-OD1 3.35Å; S266-S270 WeakPolarHBondContact O-CB 3.46Å; S266-S270 PolarHBondContact O-N 2.89Å; S266-S270 VanDerWaalsContact O-N 3.14Å; S266-S270 PolarHBondContact O-OG 2.98Å
267	S	34.2	Very low	37.5	Very low	35 Å²	35	40.6 Å²	40.6	25%	0.245	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-8.8	174.5	51.9	0	0	0	0	113.5	Y265 A754	Y265-S267 VanDerWaalsContact C-N 3.34Å; Y265-S267 PolarHBondContact O-N 2.96Å; S267-A754 WeakPolarHBondContact O-CB 3.27Å
268	L	31.9	Very low	36.4	Very low	23 Å²	23	46.1 Å²	46.1	12%	0.12	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-39.1	167.7	-81.1	167.8	0	0	0	112.7	S266 S270 A754 M758 C762 I765	S266-L268 PolarHBondContact O-N 3.2Å; L268-S270 PolarHBondContact O-N 3.14Å; L268-A754 HydrophobicContact CD2-CB 4.41Å; L268-M758 HydrophobicContact CD1-CE 4.11Å; L268-M758 HydrophobicContact CD1-SD 4.03Å; L268-M758 HydrophobicContact CG-SD 4.18Å; L268-C762 HydrophobicContact CD1-CB 3.76Å; L268-I765 HydrophobicContact CB-CD1 4.47Å; L268-I765 VanDerWaalsContact O-CD1 3.22Å; L268-I765 WeakPolarHBondContact O-CD1 3.35Å
269	D	32.5	Very low	35.5	Very low	28 Å²	28	51.5 Å²	51.5	15%	0.15	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-71.6	-14.3	171.3	-66.3	48.9	0	0	0	111.9	S266 L271 V273 N543 I544	S266-D269 PolarHBondContact O-N 3.47Å; S266-D269 PolarHBondContact OG-N 3.34Å; S266-D269 PolarHBondContact OG-OD1 3.35Å; D269-L271 PolarHBondContact O-N 2.9Å; D269-V273 VanDerWaalsContact O-CG2 3.31Å; D269-V273 WeakPolarHBondContact O-CG2 3.47Å; D269-N543 WeakPolarHBondContact OD2-CA 3.46Å; D269-I544 PolarHBondContact OD2-N 2.87Å
270	S	34	Very low	34.8	Very low	34 Å²	34	51.4 Å²	51.4	24%	0.238	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-85.5	6.1	-172.2	-59.8	0	0	0	0	115.9	S266 L268	S266-S270 WeakPolarHBondContact O-CB 3.46Å; S266-S270 PolarHBondContact O-N 2.89Å; S266-S270 VanDerWaalsContact O-N 3.14Å; S266-S270 PolarHBondContact O-OG 2.98Å; L268-S270 PolarHBondContact O-N 3.14Å
271	L	31.4	Very low	33.4	Very low	75 Å²	75	53.3 Å²	53.3	39%	0.393	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-107	-8.3	172.1	-87.1	172.3	0	0	0	114	D269 V273 A754	D269-L271 PolarHBondContact O-N 2.9Å; L271-V273 PolarHBondContact O-N 3.29Å; L271-V273 VanDerWaalsContact O-N 3.1Å; L271-A754 HydrophobicContact CD1-CB 4.29Å
272	D	33.9	Very low	32.7	Very low	15 Å²	15	55.7 Å²	55.7	8%	0.08	33%	0.326	C	S	.	.	S	Bend	trans	-79.1	25	-174.6	-133.8	-4.1	0	0	0	114	N619	D272-N619 PolarHBondContact OD1-ND2 2.78Å; D272-N619 PolarHBondContact OD2-ND2 2.84Å
273	V	34.7	Very low	31.9	Very low	16 Å²	16	57.4 Å²	57.4	10%	0.097	33%	0.333	C	S	.	.	S	Bend	trans	-140	-4.8	-133.8	-176	0	0	0	0	117.4	D269 L271 S285 F286 E287 T537	D269-V273 VanDerWaalsContact O-CG2 3.31Å; D269-V273 WeakPolarHBondContact O-CG2 3.47Å; L271-V273 PolarHBondContact O-N 3.29Å; L271-V273 VanDerWaalsContact O-N 3.1Å; V273-S285 WeakPolarHBondContact CG1-OG 3.44Å; V273-S285 CarbonylContact O-C 3.52Å; V273-S285 WeakPolarHBondContact O-CA 3.39Å; V273-S285 WeakPolarHBondContact O-CB 3.21Å; V273-F286 WeakPolarHBondContact CB-O 3.34Å; V273-F286 WeakPolarHBondContact CG1-O 3.31Å; V273-F286 PolarHBondContact O-N 3.26Å; V273-E287 HydrophobicContact CB-CB 4.49Å; V273-E287 PolarHBondContact N-OE1 3.27Å; V273-E287 VanDerWaalsContact N-OE1 3.16Å; V273-T537 HydrophobicContact CG1-CG2 4.22Å
274	L	29.5	Very low	31.3	Very low	57 Å²	57	57.8 Å²	57.8	30%	0.298	34%	0.336	S	S	.	.	S	Bend	trans	-134.8	-4.4	164.2	91.3	42.2	0	0	0	116.9	L276 S285 E287	L274-L276 VanDerWaalsContact C-N 3.28Å; L274-L276 PolarHBondContact O-N 2.91Å; L274-S285 WeakPolarHBondContact CB-O 3.34Å; L274-E287 HydrophobicContact CB-CB 3.76Å; L274-E287 HydrophobicContact CD1-CB 4.36Å; L274-E287 HydrophobicContact CD1-CG 4.28Å; L274-E287 HydrophobicContact CG-CB 3.62Å; L274-E287 HydrophobicContact CG-CG 4.08Å; L274-E287 PolarHBondContact N-OE1 2.96Å
275	S	30.1	Very low	30.7	Very low	27 Å²	27	56.4 Å²	56.4	19%	0.189	33%	0.327	C	S	.	.	S	Bend	trans	-81.3	0.8	168.9	-75.5	0	0	0	0	114.4	E287 L596	S275-E287 WeakPolarHBondContact CB-OE2 3.17Å; S275-E287 PolarHBondContact N-OE1 2.76Å; S275-E287 PolarHBondContact N-OE2 3.23Å; S275-E287 PolarHBondContact OG-OE2 2.78Å; S275-L596 VanDerWaalsContact O-CD2 3.3Å; S275-L596 WeakPolarHBondContact O-CD2 3.23Å
276	L	28.7	Very low	30.1	Very low	26 Å²	26	58 Å²	58	14%	0.136	33%	0.334	C	S	.	.			trans	-135.3	82	-160.8	-56.5	-177	0	0	0	115.3	L274 N619 P620 F621	L274-L276 VanDerWaalsContact C-N 3.28Å; L274-L276 PolarHBondContact O-N 2.91Å; L276-N619 HydrophobicContact CD1-CB 4.33Å; L276-N619 VanDerWaalsContact CD1-OD1 3.23Å; L276-N619 WeakPolarHBondContact CD1-OD1 3.42Å; L276-P620 HydrophobicContact CB-CG 4.38Å; L276-P620 HydrophobicContact CD2-CB 3.63Å; L276-P620 HydrophobicContact CD2-CG 3.7Å; L276-P620 HydrophobicContact CG-CG 4.49Å; L276-F621 HydrophobicContact CD1-CB 4.4Å; L276-F621 HydrophobicContact CD1-CD2 3.61Å; L276-F621 HydrophobicContact CD1-CE2 4.2Å; L276-F621 HydrophobicContact CD1-CG 4.12Å; L276-F621 HydrophobicContact CD2-CD1 4.24Å; L276-F621 HydrophobicContact CD2-CD2 3.96Å; L276-F621 HydrophobicContact CD2-CE1 4.48Å; L276-F621 HydrophobicContact CD2-CE2 4.22Å; L276-F621 HydrophobicContact CD2-CG 3.97Å; L276-F621 HydrophobicContact CD2-CZ 4.49Å; L276-F621 HydrophobicContact CG-CD2 3.94Å; L276-F621 HydrophobicContact CG-CE2 4.1Å; L276-F621 HydrophobicContact CG-CG 4.43Å
277	T	26.6	Very low	29.7	Very low	39 Å²	39	57.1 Å²	57.1	24%	0.239	33%	0.325	C	S	.	.			trans	-146.7	141.4	156.4	45	0	0	0	0	112.3	C283 V284	T277-C283 WeakPolarHBondContact CG2-O 3.43Å; T277-V284 HydrophobicContact CG2-CB 4.38Å; T277-V284 HydrophobicContact CG2-CG1 4.26Å; T277-V284 HydrophobicContact CG2-CG2 4.01Å
278	D	29.3	Very low	29.3	Very low	115 Å²	115	56.6 Å²	56.6	62%	0.615	32%	0.323	S	S	*	.			trans	-159.8	133.4	160.3	-157.6	34.8	0	0	0	110.7
279	E	29.8	Very low	29	Very low	134 Å²	134	59 Å²	59	63%	0.626	34%	0.34	S	S	*	.	S	Bend	trans	44.9	71.9	164.9	-48.4	-59.3	60.6	0	0	120.5
280	T	29.6	Very low	28.8	Very low	136 Å²	136	63.4 Å²	63.4	83%	0.834	36%	0.363	S	S	*	.	S	Bend		165.3	143.6	110.7	36.3	0	0	0	0	112.1
281	D	23.8	Very low	28.8	Very low	158 Å²	158	64.5 Å²	64.5	85%	0.845	37%	0.368	S	S	*	.	S	Bend	trans	51.9	73	177	-69.9	-14.3	0	0	0	117.9
282	S	28.4	Very low	28.8	Very low	78 Å²	78	65.7 Å²	65.7	55%	0.545	38%	0.38	S	S	.	.			trans	36.7	87.6	151.1	-172.7	0	0	0	0	117.7	K582 E584	S282-K582 WeakPolarHBondContact O-CE 3.27Å; S282-K582 PolarHBondContact O-NZ 2.95Å; S282-K582 PolarHBondContact OG-NZ 3.39Å; S282-E584 PolarHBondContact OG-OE1 3.24Å; S282-E584 VanDerWaalsContact OG-OE1 3.04Å
283	C	25.8	Very low	28.7	Very low	63 Å²	63	70.1 Å²	70.1	43%	0.426	40%	0.404	S	S	.	.			trans	-157.5	121	151.9	55.5	0	0	0	0	111.2	T277	T277-C283 WeakPolarHBondContact CG2-O 3.43Å
284	V	27.5	Very low	28.8	Very low	48 Å²	48	72.8 Å²	72.8	29%	0.291	42%	0.417	S	S	.	.			trans	-132.2	154.7	173.5	-161.5	0	0	0	0	108.4	T277 I587	T277-V284 HydrophobicContact CG2-CB 4.38Å; T277-V284 HydrophobicContact CG2-CG1 4.26Å; T277-V284 HydrophobicContact CG2-CG2 4.01Å; V284-I587 HydrophobicContact CB-CD1 4.04Å; V284-I587 HydrophobicContact CG2-CD1 3.49Å; V284-I587 VanDerWaalsContact CG2-CD1 3.49Å
285	S	26.7	Very low	29	Very low	20 Å²	20	77.6 Å²	77.6	14%	0.14	44%	0.437	C	S	.	.			trans	-142.8	-169.7	-173.1	-164.4	0	0	0	0	113	V273 L274	V273-S285 WeakPolarHBondContact CG1-OG 3.44Å; V273-S285 CarbonylContact O-C 3.52Å; V273-S285 WeakPolarHBondContact O-CA 3.39Å; V273-S285 WeakPolarHBondContact O-CB 3.21Å; L274-S285 WeakPolarHBondContact CB-O 3.34Å
286	F	28.2	Very low	29.1	Very low	50 Å²	50	82.7 Å²	82.7	22%	0.219	46%	0.458	C	S	.	.			trans	-96.5	129.8	-169.8	175.9	-73.9	0	0	0	114.9	V273 T497 R500	V273-F286 WeakPolarHBondContact CB-O 3.34Å; V273-F286 WeakPolarHBondContact CG1-O 3.31Å; V273-F286 PolarHBondContact O-N 3.26Å; F286-T497 HydrophobicContact CZ-CG2 4.01Å; F286-T497 WeakPolarHBondContact CZ-OG1 2.98Å; F286-R500 VanDerWaalsContact CE2-CD 3.43Å; F286-R500 VanDerWaalsContact CG-NH1 3.31Å
287	E	26.7	Very low	29.3	Very low	23 Å²	23	90.6 Å²	90.6	11%	0.107	49%	0.486	C	S	.	.			trans	-148.3	163.1	166	150.1	-160.3	-42	0	0	109	V273 L274 S275 R500	V273-E287 HydrophobicContact CB-CB 4.49Å; V273-E287 PolarHBondContact N-OE1 3.27Å; V273-E287 VanDerWaalsContact N-OE1 3.16Å; L274-E287 HydrophobicContact CB-CB 3.76Å; L274-E287 HydrophobicContact CD1-CB 4.36Å; L274-E287 HydrophobicContact CD1-CG 4.28Å; L274-E287 HydrophobicContact CG-CB 3.62Å; L274-E287 HydrophobicContact CG-CG 4.08Å; L274-E287 PolarHBondContact N-OE1 2.96Å; S275-E287 WeakPolarHBondContact CB-OE2 3.17Å; S275-E287 PolarHBondContact N-OE1 2.76Å; S275-E287 PolarHBondContact N-OE2 3.23Å; S275-E287 PolarHBondContact OG-OE2 2.78Å; E287-R500 PolarHBondContact O-NH1 3.43Å; E287-R500 PolarHBondContact O-NH2 3.4Å
288	A	26.4	Very low	29.5	Very low	24 Å²	24	93.6 Å²	93.6	20%	0.198	51%	0.509	C	S	.	.			trans	-121.9	142.3	-173.2	0	0	0	0	0	112.4
289	P	25.3	Very low	29.6	Very low	74 Å²	74	95.6 Å²	95.6	48%	0.481	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-54.2	145.1	160.2	-23	33.4	0	0	0	111.9	E496	P289-E496 HydrophobicContact CB-CG 4.1Å; P289-E496 HydrophobicContact CG-CG 3.95Å
290	L	28.2	Very low	29.7	Very low	120 Å²	120	96.1 Å²	96.1	63%	0.628	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-79.4	132.3	170.9	-68.5	170.5	0	0	0	109.7	I294	L290-I294 HydrophobicContact CB-CD1 4.36Å; L290-I294 HydrophobicContact CD2-CD1 4.01Å
291	T	35.2	Very low	29.7	Very low	57 Å²	57	98.7 Å²	98.7	35%	0.35	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-71.4	148.3	-173.4	59.4	0	0	0	0	112.5	L293 I294	T291-L293 PolarHBondContact O-N 3.01Å; T291-I294 PolarHBondContact O-N 3.06Å
292	P	31.4	Very low	30	Very low	99 Å²	99	94.1 Å²	94.1	64%	0.643	52%	0.518	S	S	*	.	H	α-helix	trans	-56.6	-26.8	-178.4	-28.2	35.8	0	0	0	115	I294 Q295 Q296	P292-I294 PolarHBondContact O-N 3.09Å; P292-Q295 PolarHBondContact O-N 3.34Å; P292-Q296 PolarHBondContact O-N 3Å
293	L	31.7	Very low	30.1	Very low	109 Å²	109	96.8 Å²	96.8	57%	0.571	53%	0.534	S	S	*	.	H	α-helix	trans	-59.7	-25.6	176.3	-85.3	154.2	0	0	0	113.9	T291	T291-L293 PolarHBondContact O-N 3.01Å
294	I	37	Very low	30.1	Very low	72 Å²	72	102.6 Å²	102.6	37%	0.369	55%	0.554	S	S	.	*	H	α-helix	trans	-73	-38.5	-179.8	-61.9	174.8	0	0	0	110.8	L290 T291 P292 I755	L290-I294 HydrophobicContact CB-CD1 4.36Å; L290-I294 HydrophobicContact CD2-CD1 4.01Å; T291-I294 PolarHBondContact O-N 3.06Å; P292-I294 PolarHBondContact O-N 3.09Å; I294-I755 HydrophobicContact CD1-CD1 4.35Å
295	Q	31.9	Very low	30.2	Very low	157 Å²	157	105.6 Å²	105.6	73%	0.734	58%	0.575	S	S	*	*	H	α-helix	trans	-66.9	-40.8	177.4	-69	-178	-18.3	0	0	111.7	P292 R297 S298	P292-Q295 PolarHBondContact O-N 3.34Å; Q295-R297 PolarHBondContact O-N 2.82Å; Q295-S298 PolarHBondContact O-N 3.28Å
296	Q	32.5	Very low	30.2	Very low	134 Å²	134	113 Å²	113	63%	0.626	61%	0.612	S	S	*	*	H	α-helix	trans	-69.2	-29.3	-173.8	-165.6	170.6	3.9	0	0	113.6	P292	P292-Q296 PolarHBondContact O-N 3Å
297	R	34.1	Very low	30.2	Very low	192 Å²	192	119.8 Å²	119.8	73%	0.725	64%	0.644	S	S	*	*	H	α-helix	trans	-73.9	-26.5	175.5	-75.3	-180	170.8	150.5	-2.8	113.5	Q295 L299 L300	Q295-R297 PolarHBondContact O-N 2.82Å; R297-L299 PolarHBondContact O-N 3.22Å; R297-L299 VanDerWaalsContact O-N 3.14Å; R297-L300 PolarHBondContact O-N 2.78Å
298	S	30.3	Very low	30.3	Very low	103 Å²	103	126.4 Å²	126.4	72%	0.72	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-5.8	-178.9	-165.3	0	0	0	0	114.5	Q295	Q295-S298 PolarHBondContact O-N 3.28Å
299	L	31.3	Very low	30.3	Very low	156 Å²	156	134.5 Å²	134.5	82%	0.817	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	-4.6	179.3	-69.5	172	0	0	0	113.9	R297	R297-L299 PolarHBondContact O-N 3.22Å; R297-L299 VanDerWaalsContact O-N 3.14Å
300	L	32.2	Very low	30.4	Very low	146 Å²	146	138.3 Å²	138.3	76%	0.764	73%	0.729	S	S	*	*	S	Bend	trans	-115.8	15.6	-172.8	-79.9	167.5	0	0	0	113.8	R297	R297-L300 PolarHBondContact O-N 2.78Å
301	Q	29.5	Very low	30.3	Very low	190 Å²	190	136.1 Å²	136.1	89%	0.888	73%	0.728	S	S	*	*			trans	-116.6	57.7	-178.7	-137.7	168.9	22.9	0	0	112.7
302	G	30	Very low	29.8	Very low	62 Å²	62	139.7 Å²	139.7	64%	0.639	75%	0.75	S	S	*	*	S	Bend	trans	-106.8	147.6	157.1	0	0	0	0	0	109.6	E304	G302-E304 PolarHBondContact O-N 3.28Å
303	P	30.8	Very low	29.6	Very low	134 Å²	134	141 Å²	141	87%	0.87	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-75.6	124	178.3	30.1	-32.9	0	0	0	111.1
304	E	25.9	Very low	29.3	Very low	184 Å²	184	144.2 Å²	144.2	86%	0.86	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-73.5	144.9	157.5	-106.5	-168.2	139.9	0	0	109.8	G302	G302-E304 PolarHBondContact O-N 3.28Å
305	P	28.2	Very low	28.8	Very low	111 Å²	111	150.2 Å²	150.2	72%	0.721	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-78.7	127.4	172.5	32.1	-31.1	0	0	0	110.1	E307	P305-E307 PolarHBondContact O-N 2.83Å
306	L	27.1	Very low	28.5	Very low	176 Å²	176	150.2 Å²	150.2	92%	0.921	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-70.3	118.6	168.1	-66.9	171.6	0	0	0	109.1
307	E	28.2	Very low	28.3	Very low	192 Å²	192	152.4 Å²	152.4	90%	0.897	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-73.5	152.6	167.5	-69.6	-162.8	126.2	0	0	110.9	P305	P305-E307 PolarHBondContact O-N 2.83Å
308	L	28.1	Very low	27.9	Very low	162 Å²	162	147 Å²	147	85%	0.848	81%	0.809	S	S	*	*			trans	-104	101.7	-170.4	-160.7	84.7	0	0	0	110.2
309	E	26.4	Very low	27.7	Very low	194 Å²	194	146.8 Å²	146.8	91%	0.907	81%	0.813	S	S	*	*			trans	-97.4	134.3	165	-79.6	-130.8	130	0	0	111.1
310	L	27.7	Very low	27.5	Very low	155 Å²	155	147.5 Å²	147.5	81%	0.812	81%	0.813	S	S	*	*			trans	-126.1	99.3	171.9	-96.7	168.3	0	0	0	109.8
311	A	27.5	Very low	27.2	Very low	74 Å²	74	148.4 Å²	148.4	61%	0.612	82%	0.817	S	S	*	*			trans	43.2	109.3	149.5	0	0	0	0	0	119.9
312	T	24.1	Very low	27	Very low	132 Å²	132	143.2 Å²	143.2	81%	0.81	81%	0.814	S	S	*	*			trans	61.1	142.3	131.6	67	0	0	0	0	118.8
313	V	26.7	Very low	27.1	Very low	126 Å²	126	145.1 Å²	145.1	76%	0.764	82%	0.824	S	S	*	*			cis	-155	145.3	50	165.3	0	0	0	0	111
314	Q	26.3	Very low	26.9	Very low	177 Å²	177	147.1 Å²	147.1	83%	0.827	83%	0.828	S	S	*	*			trans	-27.6	131.1	157.4	175.7	-176	25.7	0	0	117.5
315	E	26	Very low	27	Very low	198 Å²	198	141.3 Å²	141.3	93%	0.925	82%	0.817	S	S	*	*			trans	-156.3	173.2	137.3	-127.8	178.5	-147.3	0	0	113.2
316	Q	26.6	Very low	27	Very low	156 Å²	156	144.2 Å²	144.2	73%	0.729	83%	0.825	S	S	*	*			trans	-127.7	134.8	-150.5	171.8	173.1	4.1	0	0	114
317	E	26.7	Very low	27.1	Very low	180 Å²	180	143.6 Å²	143.6	84%	0.841	82%	0.823	S	S	*	*			trans	33.9	87.4	145	-161.6	177.3	-156	0	0	117.8
318	G	26.3	Very low	27.2	Very low	80 Å²	80	137.4 Å²	137.4	83%	0.825	81%	0.81	S	S	*	*			trans	-143.7	130.1	178	0	0	0	0	0	113.7
319	A	26.7	Very low	27.2	Very low	97 Å²	97	136.9 Å²	136.9	80%	0.802	81%	0.808	S	S	*	*			trans	-104.7	146.5	-166.4	0	0	0	0	0	115.4
320	E	26	Very low	27.6	Very low	172 Å²	172	133.6 Å²	133.6	80%	0.804	80%	0.797	S	S	*	*			trans	62	153.9	139.7	-108.9	-166	-159.9	0	0	123.4
321	L	26.7	Very low	27.9	Very low	165 Å²	165	131.8 Å²	131.8	86%	0.864	79%	0.793	S	S	*	*			trans	70.4	143.9	162.3	-63	165.4	0	0	0	119.1
322	G	25.3	Very low	28.2	Very low	80 Å²	80	133.7 Å²	133.7	83%	0.825	80%	0.801	S	S	*	*			trans	132.6	85.6	166.2	0	0	0	0	0	114.2
323	A	32.1	Very low	28.4	Very low	102 Å²	102	131 Å²	131	84%	0.843	80%	0.801	S	S	*	*			trans	-101	136.7	165.9	0	0	0	0	0	109.9
324	D	27	Very low	28.9	Very low	177 Å²	177	134.3 Å²	134.3	95%	0.947	81%	0.808	S	S	*	*			trans	-150.5	159.7	145.8	-133.7	-30.2	0	0	0	110.1
325	G	26.8	Very low	29	Very low	61 Å²	61	131.8 Å²	131.8	63%	0.629	81%	0.809	S	S	*	*			trans	-121.8	-135.1	-160.1	0	0	0	0	0	116.8
326	L	29.5	Very low	29.4	Very low	172 Å²	172	125.9 Å²	125.9	90%	0.901	79%	0.794	S	S	*	*			trans	86.8	105.9	-170.7	-52	178.8	0	0	0	114
327	D	27.7	Very low	29.7	Very low	164 Å²	164	124.9 Å²	124.9	88%	0.877	80%	0.799	S	S	*	*			cis	98.2	142.6	18.5	-158.2	21.5	0	0	0	115.7
328	G	31.4	Very low	29.8	Very low	61 Å²	61	127.5 Å²	127.5	63%	0.629	80%	0.801	S	S	*	*			trans	85.8	144.3	-178.1	0	0	0	0	0	116
329	D	28.9	Very low	30.1	Very low	151 Å²	151	128.8 Å²	128.8	81%	0.807	80%	0.804	S	S	*	*			cis	-160.2	111.6	-9.9	-159.8	44.8	0	0	0	107.1
330	D	34.6	Very low	30	Very low	125 Å²	125	128.1 Å²	128.1	67%	0.668	81%	0.807	S	S	*	*				50.1	116.9	100.3	-150.6	15.9	0	0	0	114.9
331	T	33.3	Very low	30.1	Very low	117 Å²	117	123.6 Å²	123.6	72%	0.718	81%	0.806	S	S	*	*				169	166	86.6	38.2	0	0	0	0	108.8
332	S	34.8	Very low	30.2	Very low	114 Å²	114	121 Å²	121	80%	0.797	81%	0.808	S	S	*	*			cis	-167.9	162.2	-26.9	60.9	0	0	0	0	108.5
333	G	26.8	Very low	30.3	Very low	77 Å²	77	121.3 Å²	121.3	79%	0.794	81%	0.812	S	S	*	*			trans	174.5	95.1	173.7	0	0	0	0	0	115.3
334	Q	37.3	Very low	30.1	Very low	195 Å²	195	120.4 Å²	120.4	91%	0.911	81%	0.812	S	S	*	*			trans	-108.7	151.2	-176.3	-59.4	180	8.7	0	0	113.6
335	S	27.8	Very low	30	Very low	123 Å²	123	116.9 Å²	116.9	86%	0.86	81%	0.807	S	S	*	*			trans	171.9	147.8	131.6	-178.7	0	0	0	0	112.2
336	A	35.6	Very low	30	Very low	74 Å²	74	118.9 Å²	118.9	61%	0.612	82%	0.818	S	S	*	*			cis	-175	161.9	-35.5	0	0	0	0	0	110.5
337	V	33	Very low	29.8	Very low	135 Å²	135	114.7 Å²	114.7	82%	0.818	82%	0.816	S	S	*	*			trans	61	131.4	161.3	-119.7	0	0	0	0	117.9
338	R	28.8	Very low	29.6	Very low	235 Å²	235	110.8 Å²	110.8	89%	0.887	82%	0.815	S	S	*	*			cis	-160	150.4	48.3	-77.4	-176.5	161.6	177.1	-5.1	115.4
339	A	31.4	Very low	29.5	Very low	107 Å²	107	113.5 Å²	113.5	88%	0.884	82%	0.824	S	S	*	*			trans	23.2	144	148.2	0	0	0	0	0	121.6
340	G	26.5	Very low	30.2	Very low	84 Å²	84	111.6 Å²	111.6	87%	0.866	82%	0.82	S	S	*	*			cis	139.4	155.6	6.9	0	0	0	0	0	110.3
341	G	26.4	Very low	29.8	Very low	76 Å²	76	113.7 Å²	113.7	78%	0.784	83%	0.831	S	S	*	*			cis	177.2	175.1	-5.6	0	0	0	0	0	112.2
342	A	29.5	Very low	29.5	Very low	110 Å²	110	118.7 Å²	118.7	91%	0.909	84%	0.836	S	S	*	*			trans	67.8	103.2	165.8	0	0	0	0	0	121.7
343	G	27.9	Very low	29	Very low	88 Å²	88	118.9 Å²	118.9	91%	0.907	83%	0.833	S	S	*	*				100.7	144.2	108	0	0	0	0	0	120.9
344	G	26.9	Very low	28.8	Very low	83 Å²	83	121.2 Å²	121.2	86%	0.856	83%	0.832	S	S	*	*			trans	129	93.1	151.7	0	0	0	0	0	117.5
345	A	26	Very low	29.1	Very low	102 Å²	102	119.3 Å²	119.3	84%	0.843	83%	0.826	S	S	*	*			trans	-67.6	168.1	-179.4	0	0	0	0	0	117.7
346	A	26.6	Very low	29.1	Very low	104 Å²	104	119.7 Å²	119.7	86%	0.86	83%	0.826	S	S	*	*			trans	79.2	121.6	145.1	0	0	0	0	0	121.8
347	G	24.2	Very low	28.7	Very low	83 Å²	83	119.5 Å²	119.5	86%	0.856	83%	0.831	S	S	*	*				101	109	119.3	0	0	0	0	0	119.7
348	G	23.5	Very low	28.3	Very low	82 Å²	82	119 Å²	119	85%	0.845	83%	0.834	S	S	*	*			trans	101.8	134	144.9	0	0	0	0	0	118.7
349	S	30.7	Very low	28.3	Very low	119 Å²	119	119 Å²	119	83%	0.832	83%	0.834	S	S	*	*			trans	-65.4	167.9	154	-47.2	0	0	0	0	110.5
350	P	42.6	Very low	28.3	Very low	111 Å²	111	119 Å²	119	72%	0.721	83%	0.828	S	S	*	*			cis	-143.1	174.6	16.3	42.7	-23.3	0	0	0	118
351	L	25.8	Very low	28.3	Very low	169 Å²	169	124 Å²	124	89%	0.885	83%	0.828	S	S	*	*			trans	40.9	119.6	149.7	-65.1	170.8	0	0	0	121.1
352	R	27.3	Very low	28.4	Very low	222 Å²	222	129.5 Å²	129.5	84%	0.838	83%	0.831	S	S	*	*				152.7	146.4	99.1	-159	-166.2	177.6	-162	-0.5	113.4
353	T	24.8	Very low	28.2	Very low	117 Å²	117	128.8 Å²	128.8	72%	0.718	83%	0.825	S	S	*	*			trans	73.1	151	168.8	80.8	0	0	0	0	115.5
354	T	22.7	Very low	28.2	Very low	126 Å²	126	132.3 Å²	132.3	77%	0.773	82%	0.823	S	S	*	*			cis	-130.5	167.1	0.7	45.5	0	0	0	0	111.5
355	I	43.3	Very low	28.1	Very low	155 Å²	155	134.4 Å²	134.4	80%	0.795	82%	0.824	S	S	*	*			trans	-136.9	157	156.7	-20.4	179	0	0	0	107.4
356	P	28.7	Very low	28.2	Very low	131 Å²	131	138.5 Å²	138.5	85%	0.851	83%	0.826	S	S	*	*				-137.1	135.5	95.3	36.6	-25	0	0	0	113.3
357	G	26.5	Very low	28.5	Very low	71 Å²	71	139.9 Å²	139.9	73%	0.732	83%	0.826	S	S	*	*			trans	-104.9	141.7	164.6	0	0	0	0	0	109.7
358	S	23.5	Very low	28.5	Very low	125 Å²	125	139.4 Å²	139.4	87%	0.874	82%	0.821	S	S	*	*			trans	-135.1	137.3	162.5	-164.7	0	0	0	0	108.6
359	R	30.4	Very low	28.6	Very low	233 Å²	233	147.2 Å²	147.2	88%	0.879	83%	0.825	S	S	*	*			trans	-97.9	170.7	174.6	-70.4	175.3	68	-158.6	3.7	109.6
360	S	30.6	Very low	28.5	Very low	109 Å²	109	153.2 Å²	153.2	76%	0.762	83%	0.829	S	S	*	*			trans	124.3	155.8	151.2	75.3	0	0	0	0	112.3
361	E	27.1	Very low	27.7	Very low	187 Å²	187	151.8 Å²	151.8	87%	0.874	83%	0.827	S	S	*	*			cis	-127.7	171.3	17.4	-76.5	-175.7	138	0	0	115.5
362	F	27.8	Very low	27.8	Very low	192 Å²	192	151.5 Å²	151.5	84%	0.842	82%	0.824	S	S	*	*			trans	-111.9	167.2	170.5	-136.2	-98.7	0	0	0	107.2
363	A	24.7	Very low	28.3	Very low	95 Å²	95	146.3 Å²	146.3	79%	0.785	82%	0.82	S	S	*	*			trans	-137.9	112.3	168.3	0	0	0	0	0	112.2
364	L	28	Very low	29.1	Very low	163 Å²	163	149 Å²	149	85%	0.853	83%	0.83	S	S	*	*			trans	-128	147.2	159.4	-76.4	174.5	0	0	0	107.4
365	S	26.3	Very low	29.4	Very low	126 Å²	126	146.2 Å²	146.2	88%	0.881	83%	0.825	S	S	*	*			trans	-101.2	123.6	-178.7	-64.1	0	0	0	0	111.9
366	Q	26.2	Very low	28.6	Very low	189 Å²	189	148.7 Å²	148.7	88%	0.883	83%	0.826	S	S	*	*			trans	-138.7	144.2	161.4	-81.2	-162	17.6	0	0	110.8
367	P	33.4	Very low	28.7	Very low	132 Å²	132	149.9 Å²	149.9	86%	0.857	82%	0.82	S	S	*	*			trans	-97.5	99.6	178	35.1	-31.5	0	0	0	114.4
368	G	25.1	Very low	28.7	Very low	73 Å²	73	150.2 Å²	150.2	75%	0.753	81%	0.811	S	S	*	*				67.6	119.1	129.6	0	0	0	0	0	122.4
369	R	26.1	Very low	28.8	Very low	246 Å²	246	150.7 Å²	150.7	93%	0.928	80%	0.804	S	S	*	*			trans	-144.7	147.5	145.1	-118.8	-178.1	-174.6	-91	1.7	111.7
370	W	27.2	Very low	28.7	Very low	246 Å²	246	144.6 Å²	144.6	93%	0.932	80%	0.797	S	S	*	*			trans	-99.8	159.9	179.7	-63.7	72.7	0	0	0	110.8
371	A	26.9	Very low	28.4	Very low	81 Å²	81	149 Å²	149	67%	0.669	81%	0.806	S	S	*	*			cis	-165.3	158.1	-25.5	0	0	0	0	0	110.9
372	I	27.7	Very low	28.3	Very low	162 Å²	162	144 Å²	144	83%	0.831	80%	0.804	S	S	*	*			trans	-48.5	175.7	172.9	37.1	167	0	0	0	117.8
373	P	38.2	Very low	28.1	Very low	114 Å²	114	140.3 Å²	140.3	74%	0.74	81%	0.809	S	S	*	*			cis	-136.5	176	7.2	26.1	-0.9	0	0	0	118.8
374	N	41.4	Very low	28.1	Very low	174 Å²	174	139.4 Å²	139.4	93%	0.93	81%	0.809	S	S	*	*			trans	-115.6	170.7	166	-93.1	-18.2	0	0	0	111.9
375	G	27.9	Very low	28.1	Very low	66 Å²	66	140.6 Å²	140.6	68%	0.68	81%	0.81	S	S	*	*			trans	-160.6	117.8	159.8	0	0	0	0	0	111.2
376	Y	27.5	Very low	28	Very low	208 Å²	208	146 Å²	146	82%	0.816	81%	0.811	S	S	*	*				68.6	111.5	85.6	-91.1	-108.2	0	0	0	114.1
377	H	29.3	Very low	28	Very low	155 Å²	155	142 Å²	142	72%	0.718	81%	0.81	S	S	*	*				73.3	143.8	86.7	-90.9	-78.4	0	0	0	113.5
378	S	27.6	Very low	27.7	Very low	78 Å²	78	139.2 Å²	139.2	55%	0.545	81%	0.806	S	S	.	*			cis	-163.4	167.8	4.5	-142.2	0	0	0	0	113.9
379	D	25.8	Very low	27.9	Very low	136 Å²	136	139.5 Å²	139.5	73%	0.727	80%	0.801	S	S	*	*			trans	64.8	112.6	144.1	-63.7	-48.2	0	0	0	125.6
380	S	27.2	Very low	28	Very low	104 Å²	104	136.4 Å²	136.4	73%	0.727	80%	0.799	S	S	*	*				91.7	121.1	118.1	75.2	0	0	0	0	123.8
381	Q	25.4	Very low	28.1	Very low	202 Å²	202	130.5 Å²	130.5	94%	0.944	79%	0.79	S	S	*	*			trans	56.5	120.5	144.1	-63.1	-173	3.1	0	0	122.5
382	G	23.7	Very low	28	Very low	82 Å²	82	131.1 Å²	131.1	85%	0.845	79%	0.79	S	S	*	*			trans	-176.5	122.5	158.3	0	0	0	0	0	110.9
383	A	25.1	Very low	28	Very low	114 Å²	114	128.4 Å²	128.4	94%	0.942	79%	0.785	S	S	*	*			trans	-95.4	147.4	-176.5	0	0	0	0	0	112.7
384	G	24.9	Very low	27.5	Very low	76 Å²	76	128.8 Å²	128.8	78%	0.784	79%	0.785	S	S	*	*			trans	-176.3	124.6	174.3	0	0	0	0	0	113.7
385	E	26.7	Very low	26.9	Very low	189 Å²	189	125.4 Å²	125.4	88%	0.883	78%	0.775	S	S	*	*			trans	-61.7	157	171.1	-55.2	163.7	94.3	0	0	110.4
386	R	25.4	Very low	26.9	Very low	240 Å²	240	128.9 Å²	128.9	91%	0.906	78%	0.778	S	S	*	*				179.8	153	65	-165.5	171	-171.2	173.4	4.3	112.2
387	A	25.8	Very low	27.1	Very low	103 Å²	103	122.3 Å²	122.3	85%	0.851	77%	0.767	S	S	*	*			trans	-78.9	158.7	-172.1	0	0	0	0	0	117.1
388	G	26.6	Very low	27.1	Very low	75 Å²	75	121.6 Å²	121.6	77%	0.773	77%	0.768	S	S	*	*			trans	154	153.1	147.1	0	0	0	0	0	115.2
389	A	29.8	Very low	27.3	Very low	79 Å²	79	124.9 Å²	124.9	65%	0.653	78%	0.779	S	S	*	*			cis	-170.8	124	-18.6	0	0	0	0	0	111.9
390	M	29	Very low	27.5	Very low	180 Å²	180	123 Å²	123	89%	0.887	78%	0.776	S	S	*	*			trans	63.3	176.7	155.9	-47.3	166	-162.2	0	0	114.9
391	V	27.3	Very low	27.6	Very low	123 Å²	123	124.9 Å²	124.9	75%	0.745	78%	0.778	S	S	*	*			cis	-145.4	124	0.9	-120.3	0	0	0	0	106
392	S	25	Very low	28	Very low	94 Å²	94	121.5 Å²	121.5	66%	0.657	77%	0.771	S	S	*	*				68.3	139.1	95.6	81.7	0	0	0	0	118.6
393	S	28.4	Very low	29.1	Very low	104 Å²	104	122.9 Å²	122.9	73%	0.727	77%	0.765	S	S	*	*			trans	79.2	147.7	149	-55	0	0	0	0	118.4
394	V	26.8	Very low	29.4	Very low	123 Å²	123	122.7 Å²	122.7	75%	0.745	76%	0.757	S	S	*	*			cis	-164	157.8	-15.1	-98	0	0	0	0	109
395	S	30.8	Very low	29.5	Very low	102 Å²	102	126.2 Å²	126.2	71%	0.713	76%	0.758	S	S	*	*			trans	66.1	158.3	149.1	-79.4	0	0	0	0	118.8
396	D	27.8	Very low	29.6	Very low	140 Å²	140	124.4 Å²	124.4	75%	0.749	75%	0.753	S	S	*	*			cis	-154.2	168.2	-9.4	-129.9	-60	0	0	0	113.3
397	A	30.2	Very low	29.8	Very low	70 Å²	70	121.5 Å²	121.5	58%	0.579	75%	0.75	S	S	*	*			trans	45	136.6	146.6	0	0	0	0	0	125.1
398	N	29.8	Very low	30	Very low	139 Å²	139	125 Å²	125	74%	0.743	75%	0.749	S	S	*	*			trans	98.8	106.1	135.1	-75.4	-27.4	0	0	0	123.5
399	L	30.9	Very low	30.1	Very low	148 Å²	148	126.9 Å²	126.9	78%	0.775	75%	0.749	S	S	*	*				78.6	129.9	119.3	-72.5	168.4	0	0	0	123.5
400	S	31.1	Very low	30.1	Very low	95 Å²	95	127.8 Å²	127.8	66%	0.664	76%	0.756	S	S	*	*			trans	74.3	123.9	143	51.4	0	0	0	0	122.5
401	D	29.2	Very low	30.2	Very low	144 Å²	144	127.9 Å²	127.9	77%	0.77	76%	0.759	S	S	*	*			trans	62	108.7	140	-56.6	-19.6	0	0	0	120.8
402	V	33.3	Very low	30.3	Very low	132 Å²	132	125.9 Å²	125.9	80%	0.8	76%	0.763	S	S	*	*				73.4	121.5	72.9	169.3	0	0	0	0	113
403	P	47.7	Very low	30.6	Very low	111 Å²	111	126.9 Å²	126.9	72%	0.721	77%	0.77	S	S	*	*				-130.9	-175.3	-65.6	36.6	-17.5	0	0	0	111.4
404	S	30.8	Very low	30.7	Very low	109 Å²	109	129.3 Å²	129.3	76%	0.762	77%	0.774	S	S	*	*			trans	-176.9	148.4	144.6	-85.2	0	0	0	0	114.2
405	D	26.5	Very low	31.1	Very low	151 Å²	151	131 Å²	131	81%	0.807	77%	0.774	S	S	*	*			trans	54.5	116.7	145.5	-66.9	-6.1	0	0	0	123.7
406	L	29.4	Very low	31.1	Very low	150 Å²	150	138.1 Å²	138.1	79%	0.785	79%	0.785	S	S	*	*				89.3	102.6	126.3	-151.1	72.7	0	0	0	120.9
407	E	30.6	Very low	31.3	Very low	180 Å²	180	135.2 Å²	135.2	84%	0.841	79%	0.788	S	S	*	*			trans	71.9	157.8	144.4	-73.9	-171	167.6	0	0	123.6
408	E	28.4	Very low	31.3	Very low	177 Å²	177	136.9 Å²	136.9	83%	0.827	80%	0.796	S	S	*	*			trans	89.5	116.2	159.1	-150.1	159.8	-151.9	0	0	121.4
409	C	28.6	Very low	31.8	Very low	114 Å²	114	137 Å²	137	77%	0.77	80%	0.802	S	S	*	*			trans	13.6	130.2	153.6	-56.9	0	0	0	0	122.2
410	A	30.2	Very low	32.1	Very low	98 Å²	98	136.6 Å²	136.6	81%	0.81	80%	0.8	S	S	*	*				-170.6	154.3	113.6	0	0	0	0	0	113.3
411	L	32.5	Very low	32.8	Very low	182 Å²	182	138 Å²	138	95%	0.953	81%	0.805	S	S	*	*			trans	-80.7	146.8	158.8	-83.3	73.2	0	0	0	109.8
412	G	28.3	Very low	33.4	Very low	80 Å²	80	139.5 Å²	139.5	83%	0.825	81%	0.812	S	S	*	*			trans	-179.7	101.6	170.4	0	0	0	0	0	114.1
413	S	32.2	Very low	33.7	Very low	116 Å²	116	137.2 Å²	137.2	81%	0.811	81%	0.807	S	S	*	*			trans	-76.1	142.8	177.2	-48.7	0	0	0	0	112.6
414	L	30.3	Very low	33.7	Very low	154 Å²	154	136.9 Å²	136.9	81%	0.806	80%	0.799	S	S	*	*				-164.6	162.8	100.2	-139.9	78.7	0	0	0	113
415	E	34.2	Very low	34.5	Very low	160 Å²	160	134 Å²	134	75%	0.748	79%	0.786	S	S	*	*			trans	-75.3	152.6	-170.4	-49.4	135	107.1	0	0	114.3
416	R	31.2	Very low	35.8	Very low	251 Å²	251	131.2 Å²	131.2	95%	0.947	78%	0.778	S	S	*	*				-151.5	97.5	126.8	-128	173.5	-155.1	-154.7	2.1	115.1
417	G	31	Very low	37	Very low	78 Å²	78	132.8 Å²	132.8	80%	0.804	77%	0.774	S	S	*	*			trans	44	97.1	145.7	0	0	0	0	0	119.4
418	S	31.7	Very low	38.4	Very low	106 Å²	106	128.6 Å²	128.6	74%	0.741	76%	0.76	S	S	*	*			trans	-128.8	132.8	138.6	-169.3	0	0	0	0	108.7	D420	S418-D420 PolarHBondContact O-N 3.28Å
419	T	39.7	Very low	40.8	Very low	141 Å²	141	123.9 Å²	123.9	87%	0.865	74%	0.741	S	S	*	*	S	Bend	trans	-86.3	84.7	-174	49.8	0	0	0	0	111.2
420	D	36.8	Very low	43.5	Very low	139 Å²	139	120 Å²	120	74%	0.743	71%	0.714	S	S	*	*			trans	-147.2	24.7	171.2	-146.8	-2.2	0	0	0	112.6	S418 L422	S418-D420 PolarHBondContact O-N 3.28Å; D420-L422 PolarHBondContact O-N 2.73Å; D420-L422 VanDerWaalsContact O-N 3.13Å
421	T	46.3	Very low	46.4	Very low	125 Å²	125	119.1 Å²	119.1	77%	0.767	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	62.5	-168.4	54.3	0	0	0	0	113.3
422	L	41.1	Very low	49.2	Very low	175 Å²	175	112.2 Å²	112.2	92%	0.916	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.4	-23.2	164.8	-74.4	178.9	0	0	0	114.4	D420	D420-L422 PolarHBondContact O-N 2.73Å; D420-L422 VanDerWaalsContact O-N 3.13Å
423	A	40.8	Very low	52.3	Low	85 Å²	85	108.4 Å²	108.4	70%	0.702	62%	0.623	S	S	*	*	S	Bend	trans	-87	-8.1	-173.1	0	0	0	0	0	115.8
424	N	46.5	Very low	55.3	Low	104 Å²	104	106.4 Å²	106.4	56%	0.556	60%	0.6	S	S	*	*			trans	-101.1	-6.5	-160.1	-154.4	44.4	0	0	0	116.6
425	G	48.5	Very low	58.3	Low	47 Å²	47	106.5 Å²	106.5	49%	0.485	59%	0.59	S	S	.	*	H	α-helix	trans	-60.7	-58.4	179.2	0	0	0	0	0	112.3	R427 V428	G425-R427 PolarHBondContact O-N 3.05Å; G425-V428 PolarHBondContact O-N 3.35Å
426	C	52.2	Low	61.1	Low	94 Å²	94	100.3 Å²	100.3	64%	0.635	56%	0.561	S	S	*	*	H	α-helix	trans	-50.4	-29.4	179.8	-177.7	0	0	0	0	114.7	S430	C426-S430 WeakPolarHBondContact O-CB 3.43Å; C426-S430 PolarHBondContact O-N 2.96Å
427	R	55.9	Low	64.1	Low	183 Å²	183	88.3 Å²	88.3	69%	0.691	52%	0.516	S	S	*	.	H	α-helix	trans	-70.5	-33.2	177.9	-76.6	-172.5	167.8	-82.3	-1.9	113.4	G425 E431	G425-R427 PolarHBondContact O-N 3.05Å; R427-E431 WeakPolarHBondContact O-CB 3.5Å; R427-E431 PolarHBondContact O-N 2.58Å
428	V	59.6	Low	67.2	Low	92 Å²	92	89.7 Å²	89.7	56%	0.558	50%	0.5	S	S	*	.	H	α-helix	trans	-70.6	-43.9	177.5	-177.3	0	0	0	0	109.6	G425 E431 A432	G425-V428 PolarHBondContact O-N 3.35Å; V428-E431 PolarHBondContact O-N 2.85Å; V428-A432 WeakPolarHBondContact O-CB 3.33Å; V428-A432 PolarHBondContact O-N 2.9Å
429	D	78.4	Confident	70.2	Confident	78 Å²	78	90 Å²	90	42%	0.417	49%	0.485	S	S	.	.	H	α-helix	trans	-67.8	-41.3	-178.9	-57.1	-47.5	0	0	0	112.4	E431 A432 A433 F461	D429-E431 PolarHBondContact O-N 3.07Å; D429-A432 PolarHBondContact O-N 2.81Å; D429-A433 WeakPolarHBondContact O-CB 3.42Å; D429-A433 PolarHBondContact O-N 3.01Å; D429-F461 HydrophobicContact CB-CD2 4.41Å
430	S	86.3	Confident	72.7	Confident	31 Å²	31	83.3 Å²	83.3	22%	0.217	44%	0.444	C	S	.	.	H	α-helix	trans	-61.9	-41.9	174.7	177.8	0	0	0	0	112.6	C426 A433 K434	C426-S430 WeakPolarHBondContact O-CB 3.43Å; C426-S430 PolarHBondContact O-N 2.96Å; S430-A433 PolarHBondContact O-N 2.94Å; S430-K434 WeakPolarHBondContact O-CG 3.41Å; S430-K434 PolarHBondContact O-N 2.81Å
431	E	90.8	Very high	75.3	Confident	80 Å²	80	80.9 Å²	80.9	37%	0.374	43%	0.425	S	S	.	.	H	α-helix	trans	-74.1	-34.6	179.5	177.1	59.3	-161.4	0	0	112	R427 V428 D429 R435	R427-E431 WeakPolarHBondContact O-CB 3.5Å; R427-E431 PolarHBondContact O-N 2.58Å; V428-E431 PolarHBondContact O-N 2.85Å; D429-E431 PolarHBondContact O-N 3.07Å; E431-R435 WeakPolarHBondContact O-CD 3.32Å; E431-R435 VanDerWaalsContact O-CG 3.29Å; E431-R435 WeakPolarHBondContact O-CG 3.47Å; E431-R435 PolarHBondContact O-N 3.11Å; E431-R435 IonicContact OE1-CZ 2.67Å; E431-R435 IonicContact OE1-NE 2.67Å; E431-R435 PolarHBondContact OE1-NE 3.01Å; E431-R435 IonicContact OE1-NH2 3.42Å; E431-R435 PolarHBondContact OE1-NH2 3.18Å
432	A	91.7	Very high	77.5	Confident	37 Å²	37	79.7 Å²	79.7	31%	0.306	41%	0.41	S	S	.	.	H	α-helix	trans	-65.5	-42.2	169.7	0	0	0	0	0	111.7	V428 D429 K434 R435 L436 F461	V428-A432 WeakPolarHBondContact O-CB 3.33Å; V428-A432 PolarHBondContact O-N 2.9Å; D429-A432 PolarHBondContact O-N 2.81Å; A432-K434 PolarHBondContact O-N 3Å; A432-R435 PolarHBondContact O-N 2.89Å; A432-L436 PolarHBondContact O-N 3.12Å; A432-F461 HydrophobicContact CB-CE2 4.08Å; A432-F461 HydrophobicContact CB-CZ 4.44Å
433	A	93.2	Very high	79.7	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-61.2	-43.8	176.8	0	0	0	0	0	111.5	D429 S430 R435 L436 A437 F461 L464 V465	D429-A433 WeakPolarHBondContact O-CB 3.42Å; D429-A433 PolarHBondContact O-N 3.01Å; S430-A433 PolarHBondContact O-N 2.94Å; A433-R435 PolarHBondContact O-N 2.7Å; A433-L436 PolarHBondContact O-N 3.44Å; A433-A437 WeakPolarHBondContact O-CB 3.03Å; A433-A437 PolarHBondContact O-N 3.44Å; A433-F461 HydrophobicContact CB-CD2 4.41Å; A433-F461 HydrophobicContact CB-CE2 3.93Å; A433-F461 HydrophobicContact CB-CZ 4.42Å; A433-L464 HydrophobicContact CB-CB 3.9Å; A433-V465 HydrophobicContact CB-CG2 3.67Å
434	K	93.9	Very high	82.1	Confident	74 Å²	74	73.9 Å²	73.9	32%	0.322	37%	0.368	S	S	.	.	H	α-helix	trans	-56.8	-44.4	173.6	-80.6	168.7	-177.9	169.7	0	113.4	S430 A432 K438 E468	S430-K434 WeakPolarHBondContact O-CG 3.41Å; S430-K434 PolarHBondContact O-N 2.81Å; A432-K434 PolarHBondContact O-N 3Å; K434-K438 WeakPolarHBondContact O-CB 3.29Å; K434-K438 PolarHBondContact O-N 2.72Å; K434-E468 WeakPolarHBondContact CE-OE1 3.43Å; K434-E468 WeakPolarHBondContact CE-OE2 3.45Å; K434-E468 HydrophobicContact CG-CB 4.34Å; K434-E468 VanDerWaalsContact CG-CD 3.48Å; K434-E468 HydrophobicContact CG-CG 3.82Å; K434-E468 VanDerWaalsContact CG-OE2 3.31Å; K434-E468 WeakPolarHBondContact CG-OE2 3.47Å; K434-E468 IonicContact NZ-OE1 3.14Å
435	R	94.4	Very high	84	Confident	157 Å²	157	72.4 Å²	72.4	59%	0.592	38%	0.378	S	S	*	.	H	α-helix	trans	-67.6	-41.3	179.2	-67.7	165.3	-169.8	178.4	0.9	111.6	E431 A432 A433 R439	E431-R435 WeakPolarHBondContact O-CD 3.32Å; E431-R435 VanDerWaalsContact O-CG 3.29Å; E431-R435 WeakPolarHBondContact O-CG 3.47Å; E431-R435 PolarHBondContact O-N 3.11Å; E431-R435 IonicContact OE1-CZ 2.67Å; E431-R435 IonicContact OE1-NE 2.67Å; E431-R435 PolarHBondContact OE1-NE 3.01Å; E431-R435 IonicContact OE1-NH2 3.42Å; E431-R435 PolarHBondContact OE1-NH2 3.18Å; A432-R435 PolarHBondContact O-N 2.89Å; A433-R435 PolarHBondContact O-N 2.7Å; R435-R439 WeakPolarHBondContact O-CG 3.43Å; R435-R439 PolarHBondContact O-N 3.05Å
436	L	93.8	Very high	85.8	Confident	29 Å²	29	72.1 Å²	72.1	15%	0.152	36%	0.363	C	S	.	.	H	α-helix	trans	-66.6	-50.3	175.1	-178.8	57.3	0	0	0	111.1	A432 A433 K438 R439 L440 F446 F461 V465	A432-L436 PolarHBondContact O-N 3.12Å; A433-L436 PolarHBondContact O-N 3.44Å; L436-K438 VanDerWaalsContact C-N 3.31Å; L436-K438 PolarHBondContact O-N 3.45Å; L436-R439 PolarHBondContact O-N 3.31Å; L436-L440 HydrophobicContact CD1-CD1 4.19Å; L436-L440 HydrophobicContact CD1-CD2 4.35Å; L436-L440 HydrophobicContact CD1-CG 4.01Å; L436-L440 HydrophobicContact CG-CD1 3.95Å; L436-L440 HydrophobicContact CG-CG 4.22Å; L436-L440 WeakPolarHBondContact O-CG 3.18Å; L436-L440 PolarHBondContact O-N 3.44Å; L436-F446 HydrophobicContact CD1-CE1 4.48Å; L436-F446 HydrophobicContact CD1-CE2 3.96Å; L436-F446 HydrophobicContact CD1-CZ 3.6Å; L436-F461 HydrophobicContact CD2-CE1 3.86Å; L436-F461 HydrophobicContact CD2-CZ 4.24Å; L436-V465 HydrophobicContact CB-CG1 4.47Å; L436-V465 HydrophobicContact CB-CG2 4.45Å; L436-V465 HydrophobicContact CD2-CG1 4.15Å; L436-V465 HydrophobicContact CD2-CG2 3.97Å; L436-V465 HydrophobicContact CG-CG1 4.09Å; L436-V465 HydrophobicContact CG-CG2 4.48Å
437	A	94.2	Very high	87.4	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-53	-45.5	176.1	0	0	0	0	0	112.5	A433 R439 L440 Y441 V465 E468 Y472	A433-A437 WeakPolarHBondContact O-CB 3.03Å; A433-A437 PolarHBondContact O-N 3.44Å; A437-R439 PolarHBondContact O-N 3.01Å; A437-L440 PolarHBondContact O-N 3.16Å; A437-Y441 WeakPolarHBondContact O-CB 3.26Å; A437-Y441 PolarHBondContact O-N 3.41Å; A437-V465 HydrophobicContact CB-CG1 4.26Å; A437-E468 HydrophobicContact CB-CB 3.69Å; A437-Y472 HydrophobicContact CB-CE2 4.45Å
438	K	94.6	Very high	88.7	Confident	107 Å²	107	68.6 Å²	68.6	47%	0.465	34%	0.339	S	S	.	.	H	α-helix	trans	-58.2	-49.3	174.8	-169.8	179.1	175.8	-176.7	0	111.6	K434 L436 L440 Y441 H442 Y472	K434-K438 WeakPolarHBondContact O-CB 3.29Å; K434-K438 PolarHBondContact O-N 2.72Å; L436-K438 VanDerWaalsContact C-N 3.31Å; L436-K438 PolarHBondContact O-N 3.45Å; K438-L440 PolarHBondContact O-N 2.87Å; K438-Y441 PolarHBondContact O-N 3.27Å; K438-H442 PolarHBondContact O-N 2.98Å; K438-H442 VanDerWaalsContact O-N 3.07Å; K438-H442 PolarHBondContact O-ND1 2.87Å; K438-Y472 HydrophobicContact CB-CE2 4.38Å; K438-Y472 WeakPolarHBondContact CB-OH 3.32Å; K438-Y472 HydrophobicContact CG-CE1 4.39Å
439	R	94.8	Very high	89.7	Confident	111 Å²	111	64.4 Å²	64.4	42%	0.419	31%	0.314	S	S	.	.	H	α-helix	trans	-64.9	-37.5	-179.9	-74.7	-174.1	60.3	-152.7	-8.2	112.6	R435 L436 A437 L443 D444 F446	R435-R439 WeakPolarHBondContact O-CG 3.43Å; R435-R439 PolarHBondContact O-N 3.05Å; L436-R439 PolarHBondContact O-N 3.31Å; A437-R439 PolarHBondContact O-N 3.01Å; R439-L443 CarbonylContact O-C 3.52Å; R439-L443 WeakPolarHBondContact O-CA 3.2Å; R439-L443 PolarHBondContact O-N 3.38Å; R439-D444 HydrophobicContact CB-CB 3.88Å; R439-D444 HydrophobicContact CG-CB 3.79Å; R439-D444 PolarHBondContact NE-O 2.89Å; R439-D444 PolarHBondContact NH2-O 3.38Å; R439-D444 PolarHBondContact O-N 2.95Å; R439-F446 HydrophobicContact CB-CD2 4.15Å; R439-F446 HydrophobicContact CB-CE2 3.87Å
440	L	92.3	Very high	90	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-66.4	-37.7	174.7	-68.3	177.3	0	0	0	111.7	L436 A437 K438 F446 V451 H454 L455 V465 Y469	L436-L440 HydrophobicContact CD1-CD1 4.19Å; L436-L440 HydrophobicContact CD1-CD2 4.35Å; L436-L440 HydrophobicContact CD1-CG 4.01Å; L436-L440 HydrophobicContact CG-CD1 3.95Å; L436-L440 HydrophobicContact CG-CG 4.22Å; L436-L440 WeakPolarHBondContact O-CG 3.18Å; L436-L440 PolarHBondContact O-N 3.44Å; A437-L440 PolarHBondContact O-N 3.16Å; K438-L440 PolarHBondContact O-N 2.87Å; L440-F446 HydrophobicContact CD2-CB 4.17Å; L440-F446 HydrophobicContact CD2-CD1 3.82Å; L440-F446 HydrophobicContact CD2-CD2 3.84Å; L440-F446 HydrophobicContact CD2-CE1 4.07Å; L440-F446 HydrophobicContact CD2-CE2 4.08Å; L440-F446 HydrophobicContact CD2-CG 3.69Å; L440-F446 HydrophobicContact CD2-CZ 4.19Å; L440-V451 HydrophobicContact CB-CG1 4.24Å; L440-V451 HydrophobicContact CB-CG2 4.13Å; L440-V451 HydrophobicContact CD2-CG2 4.11Å; L440-H454 HydrophobicContact CD1-CB 3.82Å; L440-L455 HydrophobicContact CD1-CD2 4.24Å; L440-V465 HydrophobicContact CD1-CG1 3.84Å; L440-Y469 HydrophobicContact CB-CD2 3.94Å; L440-Y469 HydrophobicContact CB-CE2 4.13Å
441	Y	91.7	Very high	90	Very high	89 Å²	89	61.2 Å²	61.2	35%	0.349	30%	0.295	S	S	.	.	H	α-helix	trans	-69	-40.2	177.8	-175.1	-92.7	0	0	0	112.9	A437 K438 L443 Y469 Y472 F473	A437-Y441 WeakPolarHBondContact O-CB 3.26Å; A437-Y441 PolarHBondContact O-N 3.41Å; K438-Y441 PolarHBondContact O-N 3.27Å; Y441-L443 VanDerWaalsContact C-N 3.35Å; Y441-Y469 HydrophobicContact CD2-CE2 4.26Å; Y441-Y472 HydrophobicContact CD1-CD1 4.36Å; Y441-Y472 HydrophobicContact CD1-CG 4.15Å; Y441-Y472 VanDerWaalsContact CD2-CB 3.49Å; Y441-Y472 HydrophobicContact CD2-CG 4.22Å; Y441-Y472 HydrophobicContact CG-CD2 4.33Å; Y441-Y472 AromaticContact CG-CG 3.97Å; Y441-Y472 HydrophobicContact CG-CG 3.97Å; Y441-Y472 PolarHBondContact OH-O 3.08Å; Y441-F473 HydrophobicContact CD2-CD2 4.21Å; Y441-F473 AromaticContact CD2-CE2 3.67Å; Y441-F473 HydrophobicContact CD2-CE2 3.67Å; Y441-F473 HydrophobicContact CD2-CZ 4.17Å; Y441-F473 AromaticContact CE2-CD2 3.79Å; Y441-F473 HydrophobicContact CE2-CD2 3.79Å; Y441-F473 HydrophobicContact CE2-CE1 4.34Å; Y441-F473 AromaticContact CE2-CE2 3.51Å; Y441-F473 HydrophobicContact CE2-CE2 3.51Å; Y441-F473 HydrophobicContact CE2-CG 4.35Å; Y441-F473 AromaticContact CE2-CZ 3.82Å; Y441-F473 HydrophobicContact CE2-CZ 3.82Å
442	H	92.2	Very high	89.8	Confident	99 Å²	99	58 Å²	58	46%	0.458	28%	0.281	S	S	.	.	H	α-helix	trans	-87.5	-3.6	178.5	-60.6	79.6	0	0	0	113.4	K438 D444	K438-H442 PolarHBondContact O-N 2.98Å; K438-H442 VanDerWaalsContact O-N 3.07Å; K438-H442 PolarHBondContact O-ND1 2.87Å; H442-D444 VanDerWaalsContact C-N 3.27Å; H442-D444 PolarHBondContact O-N 3.49Å
443	L	88.4	Confident	89.4	Confident	60 Å²	60	61.3 Å²	61.3	31%	0.314	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	35.5	-172.5	-58.4	172.9	0	0	0	113.4	R439 Y441 G445 F446 R448 V451	R439-L443 CarbonylContact O-C 3.52Å; R439-L443 WeakPolarHBondContact O-CA 3.2Å; R439-L443 PolarHBondContact O-N 3.38Å; Y441-L443 VanDerWaalsContact C-N 3.35Å; L443-G445 VanDerWaalsContact C-N 3.28Å; L443-G445 PolarHBondContact O-N 3.03Å; L443-F446 PolarHBondContact O-N 3.23Å; L443-R448 HydrophobicContact CD1-CG 3.89Å; L443-R448 HydrophobicContact CD2-CG 4.14Å; L443-V451 HydrophobicContact CD2-CG2 3.92Å
444	D	90	Very high	89.2	Confident	78 Å²	78	64 Å²	64	42%	0.417	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	77.3	-178.7	-69.6	-35.9	0	0	0	111.6	R439 H442	R439-D444 HydrophobicContact CB-CB 3.88Å; R439-D444 HydrophobicContact CG-CB 3.79Å; R439-D444 PolarHBondContact NE-O 2.89Å; R439-D444 PolarHBondContact NH2-O 3.38Å; R439-D444 PolarHBondContact O-N 2.95Å; H442-D444 VanDerWaalsContact C-N 3.27Å; H442-D444 PolarHBondContact O-N 3.49Å
445	G	86.5	Confident	88.9	Confident	73 Å²	73	60.8 Å²	60.8	75%	0.753	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	30.7	-175.4	0	0	0	0	0	114	L443	L443-G445 VanDerWaalsContact C-N 3.28Å; L443-G445 PolarHBondContact O-N 3.03Å
446	F	87.4	Confident	88.4	Confident	42 Å²	42	53.3 Å²	53.3	18%	0.184	26%	0.257	C	S	.	.			trans	-134.7	145	177.2	-71.7	-77.4	0	0	0	110.9	L436 R439 L440 L443 D450 H454	L436-F446 HydrophobicContact CD1-CE1 4.48Å; L436-F446 HydrophobicContact CD1-CE2 3.96Å; L436-F446 HydrophobicContact CD1-CZ 3.6Å; R439-F446 HydrophobicContact CB-CD2 4.15Å; R439-F446 HydrophobicContact CB-CE2 3.87Å; L440-F446 HydrophobicContact CD2-CB 4.17Å; L440-F446 HydrophobicContact CD2-CD1 3.82Å; L440-F446 HydrophobicContact CD2-CD2 3.84Å; L440-F446 HydrophobicContact CD2-CE1 4.07Å; L440-F446 HydrophobicContact CD2-CE2 4.08Å; L440-F446 HydrophobicContact CD2-CG 3.69Å; L440-F446 HydrophobicContact CD2-CZ 4.19Å; L443-F446 PolarHBondContact O-N 3.23Å; F446-D450 HydrophobicContact CB-CB 4.37Å; F446-D450 HydrophobicContact CD1-CB 3.95Å; F446-H454 AromaticContact CE1-NE2 3.81Å
447	K	85.8	Confident	88.1	Confident	101 Å²	101	56.4 Å²	56.4	44%	0.439	27%	0.269	S	S	.	.			trans	-79.8	165.3	166.5	-76.7	168.6	156.1	-86.6	0	110.4	C449 D450 E588	K447-C449 VanDerWaalsContact C-N 3.32Å; K447-C449 PolarHBondContact O-N 3.34Å; K447-D450 WeakPolarHBondContact CB-OD2 3.21Å; K447-D450 PolarHBondContact N-OD2 2.57Å; K447-D450 WeakPolarHBondContact O-CB 3.19Å; K447-D450 PolarHBondContact O-N 2.88Å; K447-E588 WeakPolarHBondContact CB-OE1 3.23Å; K447-E588 WeakPolarHBondContact CD-OE1 3.47Å; K447-E588 VanDerWaalsContact CG-OE1 3.25Å; K447-E588 WeakPolarHBondContact CG-OE1 3.45Å; K447-E588 IonicContact NZ-OE1 3.59Å; K447-E588 PolarHBondContact NZ-OE1 3.42Å
448	R	82.8	Confident	87.5	Confident	102 Å²	102	61.3 Å²	61.3	39%	0.385	30%	0.295	S	S	.	.	H	α-helix	trans	-65.9	-39.1	178.3	-71.7	-166.2	-178.7	84	-0.7	111.1	L443 D450 V451 P492 E588	L443-R448 HydrophobicContact CD1-CG 3.89Å; L443-R448 HydrophobicContact CD2-CG 4.14Å; R448-D450 PolarHBondContact O-N 3.33Å; R448-V451 VanDerWaalsContact O-CB 3.26Å; R448-V451 WeakPolarHBondContact O-CB 3.21Å; R448-V451 PolarHBondContact O-N 2.8Å; R448-P492 VanDerWaalsContact C-CG 3.49Å; R448-P492 HydrophobicContact CB-CG 3.87Å; R448-P492 VanDerWaalsContact O-CG 3.23Å; R448-P492 WeakPolarHBondContact O-CG 3.44Å; R448-E588 PolarHBondContact N-OE2 3.21Å
449	C	79.9	Confident	87.2	Confident	4 Å²	4	59.3 Å²	59.3	3%	0.027	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-27.7	177.2	-56.1	0	0	0	0	113.1	K447 V451 A452 R453 M494 E591	K447-C449 VanDerWaalsContact C-N 3.32Å; K447-C449 PolarHBondContact O-N 3.34Å; C449-V451 VanDerWaalsContact C-N 3.29Å; C449-V451 PolarHBondContact O-N 2.88Å; C449-A452 PolarHBondContact O-N 2.82Å; C449-R453 WeakPolarHBondContact O-CB 3.34Å; C449-R453 PolarHBondContact O-N 3.37Å; C449-M494 VanDerWaalsContact SG-SD 3.68Å; C449-E591 WeakPolarHBondContact CB-OE2 3.27Å; C449-E591 PolarHBondContact SG-OE2 2.96Å
450	D	84.4	Confident	86.9	Confident	40 Å²	40	60.8 Å²	60.8	21%	0.214	30%	0.301	C	S	.	.	H	α-helix	trans	-66.5	-34	174.7	-57.8	-30	0	0	0	111.4	F446 K447 R448 R453 H454	F446-D450 HydrophobicContact CB-CB 4.37Å; F446-D450 HydrophobicContact CD1-CB 3.95Å; K447-D450 WeakPolarHBondContact CB-OD2 3.21Å; K447-D450 PolarHBondContact N-OD2 2.57Å; K447-D450 WeakPolarHBondContact O-CB 3.19Å; K447-D450 PolarHBondContact O-N 2.88Å; R448-D450 PolarHBondContact O-N 3.33Å; D450-R453 CarbonylContact O-C 3.56Å; D450-R453 PolarHBondContact O-N 2.7Å; D450-R453 IonicContact OD1-CZ 3.64Å; D450-R453 IonicContact OD1-NH1 3.51Å; D450-R453 PolarHBondContact OD1-NH1 2.97Å; D450-H454 WeakPolarHBondContact O-CB 3.3Å; D450-H454 PolarHBondContact O-CD2 3.39Å; D450-H454 PolarHBondContact O-N 3.42Å
451	V	87.8	Confident	86.9	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.012	32%	0.316	C	S	.	.	H	α-helix	trans	-58.6	-51.4	173.6	-171.2	0	0	0	0	109.9	L440 L443 R448 C449 R453 H454 L455 Y469 F491	L440-V451 HydrophobicContact CB-CG1 4.24Å; L440-V451 HydrophobicContact CB-CG2 4.13Å; L440-V451 HydrophobicContact CD2-CG2 4.11Å; L443-V451 HydrophobicContact CD2-CG2 3.92Å; R448-V451 VanDerWaalsContact O-CB 3.26Å; R448-V451 WeakPolarHBondContact O-CB 3.21Å; R448-V451 PolarHBondContact O-N 2.8Å; C449-V451 VanDerWaalsContact C-N 3.29Å; C449-V451 PolarHBondContact O-N 2.88Å; V451-R453 VanDerWaalsContact C-N 3.35Å; V451-R453 PolarHBondContact O-N 2.64Å; V451-H454 PolarHBondContact O-N 2.93Å; V451-H454 VanDerWaalsContact O-N 3.11Å; V451-L455 HydrophobicContact CG1-CD1 4.14Å; V451-L455 HydrophobicContact CG1-CG 4.21Å; V451-L455 WeakPolarHBondContact O-CG 3.37Å; V451-L455 PolarHBondContact O-N 2.96Å; V451-Y469 HydrophobicContact CG1-CD2 4.17Å; V451-Y469 HydrophobicContact CG1-CE1 4.25Å; V451-Y469 HydrophobicContact CG1-CE2 3.56Å; V451-F491 HydrophobicContact CG1-CD2 3.89Å; V451-F491 HydrophobicContact CG1-CE2 3.97Å
452	A	85.4	Confident	86.8	Confident	11 Å²	11	60.2 Å²	60.2	9%	0.091	30%	0.301	C	S	.	.	H	α-helix	trans	-57.5	-47.1	176.4	0	0	0	0	0	111.9	C449 H454 L455 G456 F491 P492	C449-A452 PolarHBondContact O-N 2.82Å; A452-H454 PolarHBondContact O-N 2.93Å; A452-L455 PolarHBondContact O-N 2.82Å; A452-G456 PolarHBondContact O-N 2.87Å; A452-F491 HydrophobicContact CB-CE1 4.44Å; A452-F491 HydrophobicContact CB-CE2 4.13Å; A452-F491 HydrophobicContact CB-CZ 3.75Å; A452-P492 HydrophobicContact CB-CG 4.33Å
453	R	84.7	Confident	86.8	Confident	107 Å²	107	59.4 Å²	59.4	40%	0.404	30%	0.298	S	S	.	.	H	α-helix	trans	-67.1	-13.9	178.7	-150.6	179	-60	105.5	-2.5	114.3	C449 D450 V451 K457 E591	C449-R453 WeakPolarHBondContact O-CB 3.34Å; C449-R453 PolarHBondContact O-N 3.37Å; D450-R453 CarbonylContact O-C 3.56Å; D450-R453 PolarHBondContact O-N 2.7Å; D450-R453 IonicContact OD1-CZ 3.64Å; D450-R453 IonicContact OD1-NH1 3.51Å; D450-R453 PolarHBondContact OD1-NH1 2.97Å; V451-R453 VanDerWaalsContact C-N 3.35Å; V451-R453 PolarHBondContact O-N 2.64Å; R453-K457 WeakPolarHBondContact O-CD 3.34Å; R453-K457 WeakPolarHBondContact O-CE 3.34Å; R453-K457 PolarHBondContact O-NZ 3.13Å; R453-K457 VanDerWaalsContact O-NZ 3.16Å; R453-E591 IonicContact NH2-OE1 3.75Å; R453-E591 PolarHBondContact NH2-OE1 3.3Å; R453-E591 IonicContact NH2-OE2 2.71Å; R453-E591 PolarHBondContact NH2-OE2 2.85Å
454	H	87.5	Confident	87	Confident	58 Å²	58	59.6 Å²	59.6	27%	0.269	30%	0.299	S	S	.	.	H	α-helix	trans	-94.2	-38.4	171.9	-88.5	-73.6	0	0	0	112.9	L440 F446 D450 V451 A452 S462	L440-H454 HydrophobicContact CD1-CB 3.82Å; F446-H454 AromaticContact CE1-NE2 3.81Å; D450-H454 WeakPolarHBondContact O-CB 3.3Å; D450-H454 PolarHBondContact O-CD2 3.39Å; D450-H454 PolarHBondContact O-N 3.42Å; V451-H454 PolarHBondContact O-N 2.93Å; V451-H454 VanDerWaalsContact O-N 3.11Å; A452-H454 PolarHBondContact O-N 2.93Å; H454-S462 WeakPolarHBondContact O-CB 3.45Å; H454-S462 PolarHBondContact O-OG 2.92Å
455	L	88.6	Confident	87.2	Confident	5 Å²	5	56 Å²	56	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-84.4	-33.6	-177	-56.5	-162.9	0	0	0	113.7	L440 V451 A452 K457 V465 A466 Y469 F491 V503	L440-L455 HydrophobicContact CD1-CD2 4.24Å; V451-L455 HydrophobicContact CG1-CD1 4.14Å; V451-L455 HydrophobicContact CG1-CG 4.21Å; V451-L455 WeakPolarHBondContact O-CG 3.37Å; V451-L455 PolarHBondContact O-N 2.96Å; A452-L455 PolarHBondContact O-N 2.82Å; L455-K457 VanDerWaalsContact C-N 3.26Å; L455-K457 PolarHBondContact O-N 2.89Å; L455-V465 HydrophobicContact CD2-CB 4.26Å; L455-V465 HydrophobicContact CD2-CG1 3.65Å; L455-A466 HydrophobicContact CB-CB 4.26Å; L455-A466 HydrophobicContact CD1-CB 4.26Å; L455-A466 HydrophobicContact CD2-CB 4.04Å; L455-A466 HydrophobicContact CG-CB 4.4Å; L455-Y469 HydrophobicContact CD1-CD1 3.55Å; L455-Y469 HydrophobicContact CD1-CE1 4.03Å; L455-Y469 HydrophobicContact CD1-CG 3.93Å; L455-F491 HydrophobicContact CB-CE2 4.4Å; L455-F491 HydrophobicContact CD1-CD2 4.35Å; L455-F491 HydrophobicContact CD1-CE2 3.87Å; L455-F491 HydrophobicContact CG-CE2 4.31Å; L455-V503 HydrophobicContact CB-CG1 4.46Å; L455-V503 HydrophobicContact CB-CG2 3.68Å; L455-V503 HydrophobicContact CD1-CG1 4.08Å
456	G	83.3	Confident	87.5	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.01	24%	0.244	C	C	.	.	S	Bend	trans	-72.8	-8.1	-173.5	0	0	0	0	0	116.2	A452 R502	A452-G456 PolarHBondContact O-N 2.87Å; G456-R502 PolarHBondContact O-NE 3.3Å; G456-R502 PolarHBondContact O-NH2 3.16Å
457	K	86.8	Confident	87.7	Confident	94 Å²	94	53.5 Å²	53.5	41%	0.409	26%	0.256	S	S	.	.	S	Bend	trans	-77.3	135.5	-175.3	-69.7	170.7	171.9	158.1	0	112.4	R453 L455 N459 S462	R453-K457 WeakPolarHBondContact O-CD 3.34Å; R453-K457 WeakPolarHBondContact O-CE 3.34Å; R453-K457 PolarHBondContact O-NZ 3.13Å; R453-K457 VanDerWaalsContact O-NZ 3.16Å; L455-K457 VanDerWaalsContact C-N 3.26Å; L455-K457 PolarHBondContact O-N 2.89Å; K457-N459 VanDerWaalsContact C-N 3.34Å; K457-N459 WeakPolarHBondContact CB-ND2 3.39Å; K457-N459 PolarHBondContact O-N 3.38Å; K457-S462 WeakPolarHBondContact O-CB 3.14Å
458	N	83.3	Confident	88.2	Confident	103 Å²	103	50.8 Å²	50.8	55%	0.551	25%	0.245	S	C	*	.	S	Bend	trans	-78	76.8	176.2	-165.9	4.5	0	0	0	112.2
459	N	88.5	Confident	88.7	Confident	64 Å²	64	46.1 Å²	46.1	34%	0.342	23%	0.227	S	C	.	.	S	Bend	trans	-151.9	156.4	169.6	71	86.3	0	0	0	111.1	K457 F461 S462 Q463	K457-N459 VanDerWaalsContact C-N 3.34Å; K457-N459 WeakPolarHBondContact CB-ND2 3.39Å; K457-N459 PolarHBondContact O-N 3.38Å; N459-F461 VanDerWaalsContact C-N 3.34Å; N459-F461 PolarHBondContact O-N 3.08Å; N459-F461 WeakPolarHBondContact OD1-CB 3.24Å; N459-F461 PolarHBondContact OD1-N 3.02Å; N459-S462 WeakPolarHBondContact ND2-CB 3.28Å; N459-S462 PolarHBondContact ND2-OG 3.29Å; N459-S462 PolarHBondContact O-N 3.04Å; N459-S462 PolarHBondContact OD1-N 2.84Å; N459-Q463 PolarHBondContact O-N 3.38Å; N459-Q463 VanDerWaalsContact O-N 3.08Å
460	E	88.4	Confident	89.4	Confident	143 Å²	143	46 Å²	46	67%	0.668	23%	0.226	S	C	*	.	H	α-helix	trans	-62.6	-36.5	-173.2	-60.7	-178.7	169.7	0	0	113.1	Q463 L464	E460-Q463 PolarHBondContact O-N 3.24Å; E460-L464 WeakPolarHBondContact O-CG 3.43Å; E460-L464 PolarHBondContact O-N 2.78Å
461	F	91.6	Very high	89.9	Confident	72 Å²	72	46.3 Å²	46.3	32%	0.316	23%	0.231	S	C	.	.	H	α-helix	trans	-65.8	-43	176.2	-179	-99.5	0	0	0	111.8	D429 A432 A433 L436 N459 Q463 L464 V465	D429-F461 HydrophobicContact CB-CD2 4.41Å; A432-F461 HydrophobicContact CB-CE2 4.08Å; A432-F461 HydrophobicContact CB-CZ 4.44Å; A433-F461 HydrophobicContact CB-CD2 4.41Å; A433-F461 HydrophobicContact CB-CE2 3.93Å; A433-F461 HydrophobicContact CB-CZ 4.42Å; L436-F461 HydrophobicContact CD2-CE1 3.86Å; L436-F461 HydrophobicContact CD2-CZ 4.24Å; N459-F461 VanDerWaalsContact C-N 3.34Å; N459-F461 PolarHBondContact O-N 3.08Å; N459-F461 WeakPolarHBondContact OD1-CB 3.24Å; N459-F461 PolarHBondContact OD1-N 3.02Å; F461-Q463 VanDerWaalsContact C-N 3.33Å; F461-Q463 PolarHBondContact O-N 2.88Å; F461-L464 PolarHBondContact O-N 3.49Å; F461-V465 HydrophobicContact CD1-CG2 4Å; F461-V465 HydrophobicContact CE1-CG2 3.64Å; F461-V465 HydrophobicContact CE2-CG2 4.35Å; F461-V465 HydrophobicContact CZ-CG2 3.83Å; F461-V465 WeakPolarHBondContact O-CG2 3.41Å; F461-V465 PolarHBondContact O-N 2.89Å
462	S	90.3	Very high	90.1	Very high	6 Å²	6	50 Å²	50	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-62.8	-36.9	174	-78.7	0	0	0	0	112.6	H454 K457 N459 V465 A466	H454-S462 WeakPolarHBondContact O-CB 3.45Å; H454-S462 PolarHBondContact O-OG 2.92Å; K457-S462 WeakPolarHBondContact O-CB 3.14Å; N459-S462 WeakPolarHBondContact ND2-CB 3.28Å; N459-S462 PolarHBondContact ND2-OG 3.29Å; N459-S462 PolarHBondContact O-N 3.04Å; N459-S462 PolarHBondContact OD1-N 2.84Å; S462-V465 PolarHBondContact O-N 3.36Å; S462-A466 WeakPolarHBondContact O-CB 3.34Å; S462-A466 PolarHBondContact O-N 3.29Å
463	Q	90.5	Very high	90.6	Very high	82 Å²	82	49.9 Å²	49.9	38%	0.383	24%	0.243	S	C	.	.	H	α-helix	trans	-65.8	-40.3	173.8	-66.4	177.7	22.8	0	0	112.1	N459 E460 F461 A466 S467 H506	N459-Q463 PolarHBondContact O-N 3.38Å; N459-Q463 VanDerWaalsContact O-N 3.08Å; E460-Q463 PolarHBondContact O-N 3.24Å; F461-Q463 VanDerWaalsContact C-N 3.33Å; F461-Q463 PolarHBondContact O-N 2.88Å; Q463-A466 PolarHBondContact O-N 3.03Å; Q463-S467 WeakPolarHBondContact O-CB 3.31Å; Q463-S467 PolarHBondContact O-N 3.42Å; Q463-H506 PolarHBondContact O-CE1 2.87Å
464	L	92.9	Very high	91	Very high	63 Å²	63	49.7 Å²	49.7	33%	0.33	25%	0.25	S	S	.	.	H	α-helix	trans	-62	-46.5	172.2	-71.4	171.5	0	0	0	111.2	A433 E460 F461 A466 S467 E468	A433-L464 HydrophobicContact CB-CB 3.9Å; E460-L464 WeakPolarHBondContact O-CG 3.43Å; E460-L464 PolarHBondContact O-N 2.78Å; F461-L464 PolarHBondContact O-N 3.49Å; L464-A466 VanDerWaalsContact C-N 3.33Å; L464-A466 PolarHBondContact O-N 3.18Å; L464-S467 PolarHBondContact O-N 2.73Å; L464-E468 WeakPolarHBondContact O-CB 3.45Å; L464-E468 VanDerWaalsContact O-CG 3.31Å; L464-E468 WeakPolarHBondContact O-CG 3.29Å; L464-E468 PolarHBondContact O-N 3.37Å
465	V	94.8	Very high	91.3	Very high	2 Å²	2	47 Å²	47	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-39.3	177.3	178.9	0	0	0	0	111.2	A433 L436 A437 L440 L455 F461 S462 Y469	A433-V465 HydrophobicContact CB-CG2 3.67Å; L436-V465 HydrophobicContact CB-CG1 4.47Å; L436-V465 HydrophobicContact CB-CG2 4.45Å; L436-V465 HydrophobicContact CD2-CG1 4.15Å; L436-V465 HydrophobicContact CD2-CG2 3.97Å; L436-V465 HydrophobicContact CG-CG1 4.09Å; L436-V465 HydrophobicContact CG-CG2 4.48Å; A437-V465 HydrophobicContact CB-CG1 4.26Å; L440-V465 HydrophobicContact CD1-CG1 3.84Å; L455-V465 HydrophobicContact CD2-CB 4.26Å; L455-V465 HydrophobicContact CD2-CG1 3.65Å; F461-V465 HydrophobicContact CD1-CG2 4Å; F461-V465 HydrophobicContact CE1-CG2 3.64Å; F461-V465 HydrophobicContact CE2-CG2 4.35Å; F461-V465 HydrophobicContact CZ-CG2 3.83Å; F461-V465 WeakPolarHBondContact O-CG2 3.41Å; F461-V465 PolarHBondContact O-N 2.89Å; S462-V465 PolarHBondContact O-N 3.36Å; V465-Y469 WeakPolarHBondContact O-CB 3.39Å; V465-Y469 PolarHBondContact O-N 3.49Å
466	A	92.4	Very high	91.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.7	-42.7	177.7	0	0	0	0	0	112.3	L455 S462 Q463 L464 Y469 L470 H506	L455-A466 HydrophobicContact CB-CB 4.26Å; L455-A466 HydrophobicContact CD1-CB 4.26Å; L455-A466 HydrophobicContact CD2-CB 4.04Å; L455-A466 HydrophobicContact CG-CB 4.4Å; S462-A466 WeakPolarHBondContact O-CB 3.34Å; S462-A466 PolarHBondContact O-N 3.29Å; Q463-A466 PolarHBondContact O-N 3.03Å; L464-A466 VanDerWaalsContact C-N 3.33Å; L464-A466 PolarHBondContact O-N 3.18Å; A466-Y469 PolarHBondContact O-N 3.23Å; A466-L470 WeakPolarHBondContact O-CB 3.4Å; A466-L470 PolarHBondContact O-N 2.86Å; A466-H506 HydrophobicContact CB-CB 4.42Å
467	S	92.5	Very high	91.9	Very high	63 Å²	63	53.4 Å²	53.4	44%	0.441	29%	0.294	S	S	.	.	H	α-helix	trans	-60.6	-49	174.6	-164.5	0	0	0	0	111.8	Q463 L464 L470 S471	Q463-S467 WeakPolarHBondContact O-CB 3.31Å; Q463-S467 PolarHBondContact O-N 3.42Å; L464-S467 PolarHBondContact O-N 2.73Å; S467-L470 PolarHBondContact O-N 2.96Å; S467-S471 PolarHBondContact O-N 3.1Å; S467-S471 VanDerWaalsContact O-N 3.08Å
468	E	95.1	Very high	92.2	Very high	44 Å²	44	51.6 Å²	51.6	21%	0.206	29%	0.289	C	S	.	.	H	α-helix	trans	-69.6	-33.3	179	-64.6	-70.6	168.6	0	0	112.1	K434 A437 L464 S471 Y472	K434-E468 WeakPolarHBondContact CE-OE1 3.43Å; K434-E468 WeakPolarHBondContact CE-OE2 3.45Å; K434-E468 HydrophobicContact CG-CB 4.34Å; K434-E468 VanDerWaalsContact CG-CD 3.48Å; K434-E468 HydrophobicContact CG-CG 3.82Å; K434-E468 VanDerWaalsContact CG-OE2 3.31Å; K434-E468 WeakPolarHBondContact CG-OE2 3.47Å; K434-E468 IonicContact NZ-OE1 3.14Å; A437-E468 HydrophobicContact CB-CB 3.69Å; L464-E468 WeakPolarHBondContact O-CB 3.45Å; L464-E468 VanDerWaalsContact O-CG 3.31Å; L464-E468 WeakPolarHBondContact O-CG 3.29Å; L464-E468 PolarHBondContact O-N 3.37Å; E468-S471 WeakPolarHBondContact O-CB 3.31Å; E468-S471 PolarHBondContact O-N 2.78Å; E468-S471 PolarHBondContact O-OG 3.17Å; E468-Y472 WeakPolarHBondContact O-CD2 3.32Å; E468-Y472 WeakPolarHBondContact O-CE2 3.36Å
469	Y	94.9	Very high	92.7	Very high	5 Å²	5	48.8 Å²	48.8	2%	0.02	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-44.1	174.9	173.1	-92.5	0	0	0	111.2	L440 Y441 V451 L455 V465 A466 S471 Y472 F473 F487 F491	L440-Y469 HydrophobicContact CB-CD2 3.94Å; L440-Y469 HydrophobicContact CB-CE2 4.13Å; Y441-Y469 HydrophobicContact CD2-CE2 4.26Å; V451-Y469 HydrophobicContact CG1-CD2 4.17Å; V451-Y469 HydrophobicContact CG1-CE1 4.25Å; V451-Y469 HydrophobicContact CG1-CE2 3.56Å; L455-Y469 HydrophobicContact CD1-CD1 3.55Å; L455-Y469 HydrophobicContact CD1-CE1 4.03Å; L455-Y469 HydrophobicContact CD1-CG 3.93Å; V465-Y469 WeakPolarHBondContact O-CB 3.39Å; V465-Y469 PolarHBondContact O-N 3.49Å; A466-Y469 PolarHBondContact O-N 3.23Å; Y469-S471 VanDerWaalsContact C-N 3.26Å; Y469-S471 PolarHBondContact O-N 3.36Å; Y469-Y472 PolarHBondContact O-N 3.31Å; Y469-F473 HydrophobicContact CD1-CE2 4.01Å; Y469-F473 AromaticContact CE1-CE2 3.52Å; Y469-F473 HydrophobicContact CE1-CE2 3.52Å; Y469-F473 AromaticContact CE1-CZ 3.95Å; Y469-F473 HydrophobicContact CE1-CZ 3.95Å; Y469-F473 AromaticContact CZ-CE2 3.91Å; Y469-F487 HydrophobicContact CE1-CE2 4.33Å; Y469-F491 HydrophobicContact CE1-CD2 4.29Å
470	L	94.4	Very high	92.9	Very high	2 Å²	2	46 Å²	46	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-71.9	-18.7	176.8	-81.9	158.1	0	0	0	113.4	A466 S467 Y472 F473 F475 F487 H506 F507 R510	A466-L470 WeakPolarHBondContact O-CB 3.4Å; A466-L470 PolarHBondContact O-N 2.86Å; S467-L470 PolarHBondContact O-N 2.96Å; L470-Y472 PolarHBondContact O-N 2.84Å; L470-F473 HydrophobicContact CD2-CD2 4.04Å; L470-F473 HydrophobicContact CD2-CE2 4.36Å; L470-F473 HydrophobicContact CD2-CG 4.45Å; L470-F473 PolarHBondContact O-N 2.6Å; L470-F475 HydrophobicContact CD2-CE2 4.42Å; L470-F475 HydrophobicContact CD2-CZ 4.38Å; L470-F487 HydrophobicContact CD2-CD2 3.63Å; L470-F487 HydrophobicContact CD2-CE2 3.74Å; L470-F487 HydrophobicContact CD2-CG 4.47Å; L470-F487 HydrophobicContact CG-CE2 4.49Å; L470-H506 VanDerWaalsContact CD1-C 3.43Å; L470-H506 HydrophobicContact CD1-CB 3.46Å; L470-H506 VanDerWaalsContact CD1-CB 3.46Å; L470-F507 HydrophobicContact CD1-CB 4.31Å; L470-F507 HydrophobicContact CD2-CB 4.36Å; L470-R510 HydrophobicContact CB-CB 4.18Å; L470-R510 HydrophobicContact CB-CG 4.19Å; L470-R510 WeakPolarHBondContact O-CD 3.45Å; L470-R510 WeakPolarHBondContact O-CG 3.44Å; L470-R510 PolarHBondContact O-NE 3.43Å; L470-R510 VanDerWaalsContact O-NE 3.11Å
471	S	93.8	Very high	93.2	Very high	45 Å²	45	39.6 Å²	39.6	32%	0.315	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-25	172.3	84.9	0	0	0	0	113.7	S467 E468 Y469 F473 R510	S467-S471 PolarHBondContact O-N 3.1Å; S467-S471 VanDerWaalsContact O-N 3.08Å; E468-S471 WeakPolarHBondContact O-CB 3.31Å; E468-S471 PolarHBondContact O-N 2.78Å; E468-S471 PolarHBondContact O-OG 3.17Å; Y469-S471 VanDerWaalsContact C-N 3.26Å; Y469-S471 PolarHBondContact O-N 3.36Å; S471-F473 VanDerWaalsContact C-N 3.3Å; S471-F473 PolarHBondContact O-N 3.48Å; S471-R510 PolarHBondContact O-NH2 2.72Å
472	Y	93.6	Very high	93.3	Very high	81 Å²	81	43.7 Å²	43.7	32%	0.318	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-13	176.1	-67.4	-82	0	0	0	113.7	A437 K438 Y441 E468 Y469 L470	A437-Y472 HydrophobicContact CB-CE2 4.45Å; K438-Y472 HydrophobicContact CB-CE2 4.38Å; K438-Y472 WeakPolarHBondContact CB-OH 3.32Å; K438-Y472 HydrophobicContact CG-CE1 4.39Å; Y441-Y472 HydrophobicContact CD1-CD1 4.36Å; Y441-Y472 HydrophobicContact CD1-CG 4.15Å; Y441-Y472 VanDerWaalsContact CD2-CB 3.49Å; Y441-Y472 HydrophobicContact CD2-CG 4.22Å; Y441-Y472 HydrophobicContact CG-CD2 4.33Å; Y441-Y472 AromaticContact CG-CG 3.97Å; Y441-Y472 HydrophobicContact CG-CG 3.97Å; Y441-Y472 PolarHBondContact OH-O 3.08Å; E468-Y472 WeakPolarHBondContact O-CD2 3.32Å; E468-Y472 WeakPolarHBondContact O-CE2 3.36Å; Y469-Y472 PolarHBondContact O-N 3.31Å; L470-Y472 PolarHBondContact O-N 2.84Å
473	F	94.1	Very high	93.6	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.035	24%	0.244	C	C	.	.			trans	-90.6	127.8	175	-65.9	-105.6	0	0	0	109.9	Y441 Y469 L470 S471 F475 F487 A490 R510	Y441-F473 HydrophobicContact CD2-CD2 4.21Å; Y441-F473 AromaticContact CD2-CE2 3.67Å; Y441-F473 HydrophobicContact CD2-CE2 3.67Å; Y441-F473 HydrophobicContact CD2-CZ 4.17Å; Y441-F473 AromaticContact CE2-CD2 3.79Å; Y441-F473 HydrophobicContact CE2-CD2 3.79Å; Y441-F473 HydrophobicContact CE2-CE1 4.34Å; Y441-F473 AromaticContact CE2-CE2 3.51Å; Y441-F473 HydrophobicContact CE2-CE2 3.51Å; Y441-F473 HydrophobicContact CE2-CG 4.35Å; Y441-F473 AromaticContact CE2-CZ 3.82Å; Y441-F473 HydrophobicContact CE2-CZ 3.82Å; Y469-F473 HydrophobicContact CD1-CE2 4.01Å; Y469-F473 AromaticContact CE1-CE2 3.52Å; Y469-F473 HydrophobicContact CE1-CE2 3.52Å; Y469-F473 AromaticContact CE1-CZ 3.95Å; Y469-F473 HydrophobicContact CE1-CZ 3.95Å; Y469-F473 AromaticContact CZ-CE2 3.91Å; L470-F473 HydrophobicContact CD2-CD2 4.04Å; L470-F473 HydrophobicContact CD2-CE2 4.36Å; L470-F473 HydrophobicContact CD2-CG 4.45Å; L470-F473 PolarHBondContact O-N 2.6Å; S471-F473 VanDerWaalsContact C-N 3.3Å; S471-F473 PolarHBondContact O-N 3.48Å; F473-F475 HydrophobicContact CB-CD1 4.38Å; F473-F475 HydrophobicContact CB-CE1 3.68Å; F473-F475 HydrophobicContact CB-CE2 4.01Å; F473-F475 HydrophobicContact CB-CZ 3.45Å; F473-F475 VanDerWaalsContact CB-CZ 3.45Å; F473-F475 HydrophobicContact CD1-CE1 4.01Å; F473-F475 HydrophobicContact CD1-CZ 4.01Å; F473-F475 HydrophobicContact CG-CE1 4.23Å; F473-F475 AromaticContact CG-CZ 3.92Å; F473-F475 HydrophobicContact CG-CZ 3.92Å; F473-F487 HydrophobicContact CE1-CD2 4.13Å; F473-F487 HydrophobicContact CE2-CD2 4.49Å; F473-F487 HydrophobicContact CZ-CD2 4.06Å; F473-A490 HydrophobicContact CE1-CB 3.76Å; F473-A490 HydrophobicContact CZ-CB 3.75Å; F473-R510 VanDerWaalsContact O-CZ 3.3Å; F473-R510 PolarHBondContact O-NE 3.09Å; F473-R510 PolarHBondContact O-NH2 2.78Å
474	D	93.4	Very high	93.8	Very high	103 Å²	103	39.5 Å²	39.5	55%	0.551	23%	0.226	S	C	*	.			trans	-94.1	124.6	166.1	-170.6	8.1	0	0	0	109.7	S476	D474-S476 WeakPolarHBondContact OD1-CB 3.2Å; D474-S476 PolarHBondContact OD1-N 3.42Å; D474-S476 PolarHBondContact OD1-OG 2.93Å
475	F	95.1	Very high	93.8	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.212	C	C	.	.			trans	-117	8.2	175.2	-56.2	-43.8	0	0	0	112.2	L470 F473 G477 L478 A483 F487 F507 R510 Y511 C514 N515	L470-F475 HydrophobicContact CD2-CE2 4.42Å; L470-F475 HydrophobicContact CD2-CZ 4.38Å; F473-F475 HydrophobicContact CB-CD1 4.38Å; F473-F475 HydrophobicContact CB-CE1 3.68Å; F473-F475 HydrophobicContact CB-CE2 4.01Å; F473-F475 HydrophobicContact CB-CZ 3.45Å; F473-F475 VanDerWaalsContact CB-CZ 3.45Å; F473-F475 HydrophobicContact CD1-CE1 4.01Å; F473-F475 HydrophobicContact CD1-CZ 4.01Å; F473-F475 HydrophobicContact CG-CE1 4.23Å; F473-F475 AromaticContact CG-CZ 3.92Å; F473-F475 HydrophobicContact CG-CZ 3.92Å; F475-G477 PolarHBondContact O-N 3.26Å; F475-L478 HydrophobicContact CD1-CD1 4.45Å; F475-L478 WeakPolarHBondContact O-CB 3.35Å; F475-L478 PolarHBondContact O-N 2.78Å; F475-L478 VanDerWaalsContact O-N 3.08Å; F475-A483 HydrophobicContact CB-CB 3.96Å; F475-A483 HydrophobicContact CD1-CB 3.7Å; F475-A483 HydrophobicContact CD2-CB 4.46Å; F475-A483 HydrophobicContact CE1-CB 4.3Å; F475-A483 HydrophobicContact CG-CB 3.8Å; F475-F487 HydrophobicContact CE1-CB 4.36Å; F475-F487 HydrophobicContact CZ-CB 4.02Å; F475-F507 HydrophobicContact CD2-CE2 4.29Å; F475-F507 HydrophobicContact CE1-CE2 4.2Å; F475-F507 AromaticContact CE2-CD2 3.65Å; F475-F507 HydrophobicContact CE2-CD2 3.65Å; F475-F507 AromaticContact CE2-CE2 3.67Å; F475-F507 HydrophobicContact CE2-CE2 3.67Å; F475-F507 AromaticContact CZ-CD2 3.7Å; F475-F507 HydrophobicContact CZ-CD2 3.7Å; F475-F507 AromaticContact CZ-CE2 3.63Å; F475-F507 HydrophobicContact CZ-CE2 3.63Å; F475-R510 HydrophobicContact CD2-CB 4.41Å; F475-R510 HydrophobicContact CD2-CG 3.79Å; F475-R510 HydrophobicContact CE2-CB 4.16Å; F475-R510 HydrophobicContact CE2-CG 3.66Å; F475-Y511 HydrophobicContact CB-CD2 4.36Å; F475-C514 HydrophobicContact CB-CB 3.99Å; F475-N515 PolarHBondContact O-ND2 2.85Å; F475-N515 PolarHBondContact O-OD1 2.67Å
476	S	94.3	Very high	93.8	Very high	66 Å²	66	40.6 Å²	40.6	46%	0.462	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	122.2	-172.2	-49.2	0	0	0	0	111.4	D474 L478	D474-S476 WeakPolarHBondContact OD1-CB 3.2Å; D474-S476 PolarHBondContact OD1-N 3.42Å; D474-S476 PolarHBondContact OD1-OG 2.93Å; S476-L478 PolarHBondContact O-N 3.08Å
477	G	89.3	Confident	93.9	Very high	75 Å²	75	40.6 Å²	40.6	77%	0.773	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	5.9	-176.5	0	0	0	0	0	114.9	F475 N515	F475-G477 PolarHBondContact O-N 3.26Å; G477-N515 PolarHBondContact N-OD1 2.97Å
478	L	93.2	Very high	93.8	Very high	56 Å²	56	37.6 Å²	37.6	29%	0.293	21%	0.21	S	C	.	.			trans	-87.5	145.4	168.1	-58.6	-173.8	0	0	0	110.3	F475 S476 R482 A483 Y511	F475-L478 HydrophobicContact CD1-CD1 4.45Å; F475-L478 WeakPolarHBondContact O-CB 3.35Å; F475-L478 PolarHBondContact O-N 2.78Å; F475-L478 VanDerWaalsContact O-N 3.08Å; S476-L478 PolarHBondContact O-N 3.08Å; L478-R482 HydrophobicContact CB-CB 4.26Å; L478-A483 HydrophobicContact CB-CB 4.32Å; L478-Y511 WeakPolarHBondContact O-CE2 3.46Å
479	S	93.4	Very high	93.5	Very high	44 Å²	44	40.6 Å²	40.6	31%	0.308	22%	0.223	S	C	.	.			trans	-73.6	155.3	164.4	55.6	0	0	0	0	110.8	D481 R482 A483	S479-D481 VanDerWaalsContact C-N 3.27Å; S479-D481 WeakPolarHBondContact CB-OD1 3.5Å; S479-D481 PolarHBondContact O-N 3.49Å; S479-D481 PolarHBondContact OG-OD1 3.36Å; S479-R482 WeakPolarHBondContact O-CA 3.18Å; S479-R482 WeakPolarHBondContact O-CB 3.39Å; S479-R482 PolarHBondContact O-N 2.98Å; S479-R482 WeakPolarHBondContact OG-CD 3.47Å; S479-R482 WeakPolarHBondContact OG-CG 3.19Å; S479-A483 PolarHBondContact O-N 2.8Å
480	L	93.8	Very high	93	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-52.3	-42.3	-174.4	-177.6	64	0	0	0	113.4	R482 A483 L484 F507 Y511 L528 L532 L574	L480-R482 PolarHBondContact O-N 2.72Å; L480-A483 PolarHBondContact O-N 3.25Å; L480-L484 VanDerWaalsContact O-CB 3.23Å; L480-L484 WeakPolarHBondContact O-CB 3.2Å; L480-L484 PolarHBondContact O-N 2.89Å; L480-F507 HydrophobicContact CD1-CE1 3.96Å; L480-F507 HydrophobicContact CD1-CZ 4.21Å; L480-Y511 VanDerWaalsContact CA-CE2 3.49Å; L480-Y511 HydrophobicContact CB-CE1 4.23Å; L480-Y511 HydrophobicContact CB-CE2 4.11Å; L480-Y511 HydrophobicContact CD1-CD1 3.75Å; L480-Y511 HydrophobicContact CD1-CD2 4.04Å; L480-Y511 HydrophobicContact CD1-CE1 3.96Å; L480-Y511 HydrophobicContact CD1-CE2 4.22Å; L480-Y511 HydrophobicContact CD1-CG 3.79Å; L480-Y511 PolarHBondContact N-OH 3.35Å; L480-L528 HydrophobicContact CD2-CB 3.49Å; L480-L528 VanDerWaalsContact CD2-CB 3.49Å; L480-L528 HydrophobicContact CD2-CD1 4.13Å; L480-L528 HydrophobicContact CD2-CG 4.47Å; L480-L532 HydrophobicContact CD2-CD1 4.05Å; L480-L532 HydrophobicContact CG-CD1 4.26Å; L480-L574 HydrophobicContact CB-CD2 4.32Å
481	D	94.2	Very high	92.5	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-39.8	176	65.4	-61.1	0	0	0	112.6	S479 R485 L574 S577	S479-D481 VanDerWaalsContact C-N 3.27Å; S479-D481 WeakPolarHBondContact CB-OD1 3.5Å; S479-D481 PolarHBondContact O-N 3.49Å; S479-D481 PolarHBondContact OG-OD1 3.36Å; D481-R485 WeakPolarHBondContact O-CD 3.13Å; D481-R485 WeakPolarHBondContact O-CG 3.42Å; D481-R485 PolarHBondContact O-N 3.39Å; D481-L574 HydrophobicContact CB-CD2 3.95Å; D481-S577 VanDerWaalsContact OD2-CB 3.3Å; D481-S577 WeakPolarHBondContact OD2-CB 3.35Å; D481-S577 PolarHBondContact OD2-OG 2.54Å
482	R	94.5	Very high	91.8	Very high	158 Å²	158	40 Å²	40	60%	0.596	22%	0.221	S	C	*	.	H	α-helix	trans	-73.3	-40.3	178.9	-68	179.1	176.4	-170.3	-2.8	111.8	L478 S479 L480 L484 N486	L478-R482 HydrophobicContact CB-CB 4.26Å; S479-R482 WeakPolarHBondContact O-CA 3.18Å; S479-R482 WeakPolarHBondContact O-CB 3.39Å; S479-R482 PolarHBondContact O-N 2.98Å; S479-R482 WeakPolarHBondContact OG-CD 3.47Å; S479-R482 WeakPolarHBondContact OG-CG 3.19Å; L480-R482 PolarHBondContact O-N 2.72Å; R482-L484 VanDerWaalsContact C-N 3.35Å; R482-N486 WeakPolarHBondContact O-CB 3.28Å; R482-N486 PolarHBondContact O-N 3.33Å
483	A	95.8	Very high	91	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.3	-44.7	172.9	0	0	0	0	0	111.1	F475 L478 S479 L480 N486 F487 F507 Y511	F475-A483 HydrophobicContact CB-CB 3.96Å; F475-A483 HydrophobicContact CD1-CB 3.7Å; F475-A483 HydrophobicContact CD2-CB 4.46Å; F475-A483 HydrophobicContact CE1-CB 4.3Å; F475-A483 HydrophobicContact CG-CB 3.8Å; L478-A483 HydrophobicContact CB-CB 4.32Å; S479-A483 PolarHBondContact O-N 2.8Å; L480-A483 PolarHBondContact O-N 3.25Å; A483-N486 PolarHBondContact O-N 2.98Å; A483-F487 PolarHBondContact O-N 3.47Å; A483-F507 HydrophobicContact CB-CE2 4.08Å; A483-F507 HydrophobicContact CB-CZ 3.97Å; A483-Y511 HydrophobicContact CB-CD2 3.61Å; A483-Y511 HydrophobicContact CB-CE2 4.02Å
484	L	94.5	Very high	89.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.4	-46.6	178.9	-177.2	58.7	0	0	0	111.6	L480 R482 N486 F487 L488 L504 F507 T529 L532 M533 L583	L480-L484 VanDerWaalsContact O-CB 3.23Å; L480-L484 WeakPolarHBondContact O-CB 3.2Å; L480-L484 PolarHBondContact O-N 2.89Å; R482-L484 VanDerWaalsContact C-N 3.35Å; L484-N486 VanDerWaalsContact C-N 3.31Å; L484-N486 PolarHBondContact O-N 2.7Å; L484-F487 PolarHBondContact O-N 3.09Å; L484-L488 HydrophobicContact CD1-CD1 3.85Å; L484-L488 HydrophobicContact CD1-CG 4.02Å; L484-L488 HydrophobicContact CG-CD1 3.82Å; L484-L488 HydrophobicContact CG-CG 4.4Å; L484-L488 WeakPolarHBondContact O-CB 3.46Å; L484-L488 VanDerWaalsContact O-CG 3.25Å; L484-L488 WeakPolarHBondContact O-CG 3.38Å; L484-L488 PolarHBondContact O-N 3.35Å; L484-L504 HydrophobicContact CD1-CD2 4.31Å; L484-F507 VanDerWaalsContact CA-CZ 3.5Å; L484-F507 HydrophobicContact CB-CE1 4.19Å; L484-F507 HydrophobicContact CB-CZ 3.8Å; L484-F507 HydrophobicContact CD1-CD1 4.28Å; L484-F507 HydrophobicContact CD1-CE1 3.91Å; L484-F507 HydrophobicContact CD1-CZ 4.14Å; L484-T529 HydrophobicContact CD1-CG2 3.99Å; L484-T529 HydrophobicContact CD2-CG2 4.27Å; L484-L532 HydrophobicContact CD2-CB 4.29Å; L484-M533 HydrophobicContact CD2-SD 4.32Å; L484-L583 HydrophobicContact CD2-CD1 3.87Å; L484-L583 HydrophobicContact CD2-CD2 4.28Å; L484-L583 HydrophobicContact CG-CD2 4.41Å
485	R	93.9	Very high	88.4	Confident	11 Å²	11	35.2 Å²	35.2	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-57	-41.7	172.3	-69.4	163	-162.3	-66.6	0.1	112.5	D481 K489 S577 E581 K582 L583	D481-R485 WeakPolarHBondContact O-CD 3.13Å; D481-R485 WeakPolarHBondContact O-CG 3.42Å; D481-R485 PolarHBondContact O-N 3.39Å; R485-K489 WeakPolarHBondContact O-CB 3.34Å; R485-K489 VanDerWaalsContact O-CG 3.25Å; R485-K489 WeakPolarHBondContact O-CG 3.38Å; R485-K489 PolarHBondContact O-N 3.43Å; R485-K489 VanDerWaalsContact O-N 3.12Å; R485-S577 VanDerWaalsContact NH2-C 3.34Å; R485-S577 PolarHBondContact NH2-O 2.58Å; R485-S577 PolarHBondContact NH2-OG 2.95Å; R485-E581 WeakPolarHBondContact CD-OE1 3.31Å; R485-E581 IonicContact CZ-OE1 3.57Å; R485-E581 IonicContact CZ-OE2 2.85Å; R485-E581 IonicContact NE-OE1 3.8Å; R485-E581 IonicContact NE-OE2 3.45Å; R485-E581 VanDerWaalsContact NH1-CG 3.28Å; R485-E581 PolarHBondContact NH1-O 2.96Å; R485-E581 IonicContact NH1-OE1 3.1Å; R485-E581 PolarHBondContact NH1-OE1 3.39Å; R485-E581 IonicContact NH1-OE2 3.69Å; R485-E581 PolarHBondContact NH2-O 3.36Å; R485-K582 PolarHBondContact NH1-O 2.92Å; R485-L583 HydrophobicContact CG-CD2 3.83Å
486	N	93.6	Very high	87.1	Confident	77 Å²	77	37.8 Å²	37.8	41%	0.412	22%	0.218	S	C	.	.	H	α-helix	trans	-67.2	-43.1	-179.6	-167.4	24.5	0	0	0	111.5	R482 A483 L484	R482-N486 WeakPolarHBondContact O-CB 3.28Å; R482-N486 PolarHBondContact O-N 3.33Å; A483-N486 PolarHBondContact O-N 2.98Å; L484-N486 VanDerWaalsContact C-N 3.31Å; L484-N486 PolarHBondContact O-N 2.7Å
487	F	94.1	Very high	85.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-53.3	174	169.7	-115.9	0	0	0	112.3	Y469 L470 F473 F475 A483 L484 K489 A490 F491 V503 L504 F507	Y469-F487 HydrophobicContact CE1-CE2 4.33Å; L470-F487 HydrophobicContact CD2-CD2 3.63Å; L470-F487 HydrophobicContact CD2-CE2 3.74Å; L470-F487 HydrophobicContact CD2-CG 4.47Å; L470-F487 HydrophobicContact CG-CE2 4.49Å; F473-F487 HydrophobicContact CE1-CD2 4.13Å; F473-F487 HydrophobicContact CE2-CD2 4.49Å; F473-F487 HydrophobicContact CZ-CD2 4.06Å; F475-F487 HydrophobicContact CE1-CB 4.36Å; F475-F487 HydrophobicContact CZ-CB 4.02Å; A483-F487 PolarHBondContact O-N 3.47Å; L484-F487 PolarHBondContact O-N 3.09Å; F487-K489 VanDerWaalsContact C-N 3.29Å; F487-K489 PolarHBondContact O-N 3.26Å; F487-A490 PolarHBondContact O-N 3.18Å; F487-F491 HydrophobicContact CD2-CB 4.18Å; F487-F491 HydrophobicContact CE1-CB 4.32Å; F487-F491 HydrophobicContact CE1-CD1 4.11Å; F487-F491 HydrophobicContact CE1-CG 4.37Å; F487-F491 HydrophobicContact CE2-CB 3.54Å; F487-F491 HydrophobicContact CE2-CD1 4.35Å; F487-F491 HydrophobicContact CE2-CD2 4.33Å; F487-F491 AromaticContact CE2-CG 3.83Å; F487-F491 HydrophobicContact CE2-CG 3.83Å; F487-F491 HydrophobicContact CZ-CB 3.61Å; F487-F491 AromaticContact CZ-CD1 3.58Å; F487-F491 HydrophobicContact CZ-CD1 3.58Å; F487-F491 HydrophobicContact CZ-CD2 4.21Å; F487-F491 HydrophobicContact CZ-CE1 4.32Å; F487-F491 AromaticContact CZ-CG 3.52Å; F487-F491 HydrophobicContact CZ-CG 3.52Å; F487-F491 PolarHBondContact O-N 2.95Å; F487-V503 HydrophobicContact CZ-CG1 3.78Å; F487-L504 HydrophobicContact CE1-CD2 4.11Å; F487-F507 HydrophobicContact CB-CD2 3.71Å; F487-F507 HydrophobicContact CB-CE2 3.85Å; F487-F507 HydrophobicContact CD1-CB 4.33Å; F487-F507 AromaticContact CD1-CD2 3.9Å; F487-F507 HydrophobicContact CD1-CD2 3.9Å; F487-F507 HydrophobicContact CD1-CG 4.15Å; F487-F507 HydrophobicContact CE1-CB 4.4Å; F487-F507 AromaticContact CG-CD2 3.77Å; F487-F507 HydrophobicContact CG-CD2 3.77Å; F487-F507 HydrophobicContact CG-CE2 4.38Å; F487-F507 HydrophobicContact CG-CG 4.43Å
488	L	90.6	Very high	85	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-36	-176.5	-70.6	174.5	0	0	0	112.2	L484 A490 F491 L493 M533 L583 E584 W585 A586	L484-L488 HydrophobicContact CD1-CD1 3.85Å; L484-L488 HydrophobicContact CD1-CG 4.02Å; L484-L488 HydrophobicContact CG-CD1 3.82Å; L484-L488 HydrophobicContact CG-CG 4.4Å; L484-L488 WeakPolarHBondContact O-CB 3.46Å; L484-L488 VanDerWaalsContact O-CG 3.25Å; L484-L488 WeakPolarHBondContact O-CG 3.38Å; L484-L488 PolarHBondContact O-N 3.35Å; L488-A490 PolarHBondContact O-N 3.27Å; L488-A490 VanDerWaalsContact O-N 3.12Å; L488-F491 PolarHBondContact O-N 2.72Å; L488-L493 HydrophobicContact CD2-CB 4.16Å; L488-L493 HydrophobicContact CD2-CD1 4.17Å; L488-L493 HydrophobicContact CD2-CD2 4.11Å; L488-L493 HydrophobicContact CD2-CG 4.38Å; L488-M533 HydrophobicContact CD1-SD 4.14Å; L488-L583 HydrophobicContact CD1-CB 4.23Å; L488-L583 HydrophobicContact CD1-CD1 4.33Å; L488-E584 WeakPolarHBondContact CB-O 3.34Å; L488-W585 HydrophobicContact CB-CB 3.94Å; L488-W585 HydrophobicContact CD1-CE3 4.39Å; L488-W585 HydrophobicContact CD2-CB 4.2Å; L488-W585 CarbonylContact O-C 3.51Å; L488-W585 WeakPolarHBondContact O-CA 3.46Å; L488-A586 PolarHBondContact O-N 3.14Å
489	K	88.4	Confident	84.4	Confident	108 Å²	108	36.8 Å²	36.8	47%	0.47	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.9	175	-77.2	172.4	-177.7	178	0	114.2	R485 F487 E581	R485-K489 WeakPolarHBondContact O-CB 3.34Å; R485-K489 VanDerWaalsContact O-CG 3.25Å; R485-K489 WeakPolarHBondContact O-CG 3.38Å; R485-K489 PolarHBondContact O-N 3.43Å; R485-K489 VanDerWaalsContact O-N 3.12Å; F487-K489 VanDerWaalsContact C-N 3.29Å; F487-K489 PolarHBondContact O-N 3.26Å; K489-E581 IonicContact NZ-OE1 3.45Å
490	A	84.4	Confident	83.9	Confident	36 Å²	36	35 Å²	35	30%	0.298	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-35.7	173.1	0	0	0	0	0	113.3	F473 F487 L488	F473-A490 HydrophobicContact CE1-CB 3.76Å; F473-A490 HydrophobicContact CZ-CB 3.75Å; F487-A490 PolarHBondContact O-N 3.18Å; L488-A490 PolarHBondContact O-N 3.27Å; L488-A490 VanDerWaalsContact O-N 3.12Å
491	F	84.9	Confident	83.3	Confident	3 Å²	3	35 Å²	35	1%	0.013	18%	0.175	C	C	.	.	S	Bend	trans	-107.6	122.4	-171.2	-177.8	-91	0	0	0	112.6	V451 A452 L455 Y469 F487 L488 L493 V503	V451-F491 HydrophobicContact CG1-CD2 3.89Å; V451-F491 HydrophobicContact CG1-CE2 3.97Å; A452-F491 HydrophobicContact CB-CE1 4.44Å; A452-F491 HydrophobicContact CB-CE2 4.13Å; A452-F491 HydrophobicContact CB-CZ 3.75Å; L455-F491 HydrophobicContact CB-CE2 4.4Å; L455-F491 HydrophobicContact CD1-CD2 4.35Å; L455-F491 HydrophobicContact CD1-CE2 3.87Å; L455-F491 HydrophobicContact CG-CE2 4.31Å; Y469-F491 HydrophobicContact CE1-CD2 4.29Å; F487-F491 HydrophobicContact CD2-CB 4.18Å; F487-F491 HydrophobicContact CE1-CB 4.32Å; F487-F491 HydrophobicContact CE1-CD1 4.11Å; F487-F491 HydrophobicContact CE1-CG 4.37Å; F487-F491 HydrophobicContact CE2-CB 3.54Å; F487-F491 HydrophobicContact CE2-CD1 4.35Å; F487-F491 HydrophobicContact CE2-CD2 4.33Å; F487-F491 AromaticContact CE2-CG 3.83Å; F487-F491 HydrophobicContact CE2-CG 3.83Å; F487-F491 HydrophobicContact CZ-CB 3.61Å; F487-F491 AromaticContact CZ-CD1 3.58Å; F487-F491 HydrophobicContact CZ-CD1 3.58Å; F487-F491 HydrophobicContact CZ-CD2 4.21Å; F487-F491 HydrophobicContact CZ-CE1 4.32Å; F487-F491 AromaticContact CZ-CG 3.52Å; F487-F491 HydrophobicContact CZ-CG 3.52Å; F487-F491 PolarHBondContact O-N 2.95Å; L488-F491 PolarHBondContact O-N 2.72Å; F491-L493 HydrophobicContact CD1-CD1 4.29Å; F491-L493 HydrophobicContact CE1-CD1 4.08Å; F491-L493 PolarHBondContact O-N 3.15Å; F491-V503 HydrophobicContact CE1-CB 4.42Å; F491-V503 HydrophobicContact CE1-CG1 4.15Å; F491-V503 HydrophobicContact CE2-CG1 4.11Å; F491-V503 HydrophobicContact CZ-CB 4.2Å; F491-V503 HydrophobicContact CZ-CG1 3.87Å; F491-V503 HydrophobicContact CZ-CG2 3.91Å
492	P	79.9	Confident	83	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.			trans	-76.2	117.5	176.1	31.5	-32	0	0	0	109.9	R448 A452 M494 A586	R448-P492 VanDerWaalsContact C-CG 3.49Å; R448-P492 HydrophobicContact CB-CG 3.87Å; R448-P492 VanDerWaalsContact O-CG 3.23Å; R448-P492 WeakPolarHBondContact O-CG 3.44Å; A452-P492 HydrophobicContact CB-CG 4.33Å; P492-M494 HydrophobicContact CB-CG 4.27Å; P492-M494 HydrophobicContact CB-SD 4.13Å; P492-M494 PolarHBondContact O-N 3.41Å; P492-A586 VanDerWaalsContact CA-O 3.25Å; P492-A586 WeakPolarHBondContact CA-O 3.24Å; P492-A586 HydrophobicContact CB-CB 4.38Å; P492-A586 WeakPolarHBondContact CB-O 3.28Å
493	L	76.6	Confident	82.7	Confident	6 Å²	6	29.3 Å²	29.3	3%	0.031	15%	0.152	C	C	.	.			trans	-79.6	53.4	-177.1	-159.3	73.2	0	0	0	112	L488 F491 R500 L504 M533 W585	L488-L493 HydrophobicContact CD2-CB 4.16Å; L488-L493 HydrophobicContact CD2-CD1 4.17Å; L488-L493 HydrophobicContact CD2-CD2 4.11Å; L488-L493 HydrophobicContact CD2-CG 4.38Å; F491-L493 HydrophobicContact CD1-CD1 4.29Å; F491-L493 HydrophobicContact CE1-CD1 4.08Å; F491-L493 PolarHBondContact O-N 3.15Å; L493-R500 HydrophobicContact CD1-CB 4.12Å; L493-R500 HydrophobicContact CD1-CG 4.31Å; L493-R500 HydrophobicContact CG-CB 4.23Å; L493-R500 HydrophobicContact CG-CG 4Å; L493-R500 PolarHBondContact O-NE 3.36Å; L493-L504 HydrophobicContact CD1-CD2 4.17Å; L493-L504 HydrophobicContact CD1-CG 4.33Å; L493-M533 HydrophobicContact CD2-CE 3.38Å; L493-M533 HydrophobicContact CD2-SD 4.28Å; L493-W585 HydrophobicContact CB-CB 4.41Å; L493-W585 HydrophobicContact CB-CD2 4.33Å; L493-W585 HydrophobicContact CB-CG 4.14Å
494	M	68	Low	82.5	Confident	59 Å²	59	29.7 Å²	29.7	29%	0.291	15%	0.154	S	C	.	.			trans	-93	177	-180	-65.5	173.7	68.4	0	0	111.5	C449 P492 E591	C449-M494 VanDerWaalsContact SG-SD 3.68Å; P492-M494 HydrophobicContact CB-CG 4.27Å; P492-M494 HydrophobicContact CB-SD 4.13Å; P492-M494 PolarHBondContact O-N 3.41Å; M494-E591 HydrophobicContact CE-CB 4.44Å; M494-E591 HydrophobicContact CE-CG 4.2Å
495	G	64	Low	82.4	Confident	26 Å²	26	31.3 Å²	31.3	27%	0.268	16%	0.164	S	C	.	.	S	Bend	trans	93.6	-175.3	-175.8	0	0	0	0	0	113.6	E499 R500	G495-E499 WeakPolarHBondContact CA-OE2 3.45Å; G495-R500 PolarHBondContact O-NE 2.91Å; G495-R500 PolarHBondContact O-NH2 3.06Å
496	E	67.1	Low	82.3	Confident	54 Å²	54	31.9 Å²	31.9	25%	0.252	17%	0.167	S	C	.	.			trans	-67.9	161.4	173.4	-69.2	-179.5	175.9	0	0	112	P289 Q498 E499 R500	P289-E496 HydrophobicContact CB-CG 4.1Å; P289-E496 HydrophobicContact CG-CG 3.95Å; E496-Q498 PolarHBondContact O-N 3.12Å; E496-E499 HydrophobicContact CB-CG 4.32Å; E496-E499 PolarHBondContact N-OE2 3.19Å; E496-E499 PolarHBondContact O-N 2.87Å; E496-R500 WeakPolarHBondContact O-CG 3.31Å; E496-R500 PolarHBondContact O-N 3.03Å; E496-R500 VanDerWaalsContact O-N 3.07Å
497	T	70.3	Confident	82.3	Confident	46 Å²	46	28.2 Å²	28.2	28%	0.282	15%	0.148	S	C	.	.	H	α-helix	trans	-47.3	-49.7	171.6	-57	0	0	0	0	110.7	F246 F286 E499 R500 E501	F246-T497 HydrophobicContact CE1-CG2 4.14Å; F246-T497 HydrophobicContact CZ-CG2 4.11Å; F246-T497 VanDerWaalsContact CZ-O 3.31Å; F246-T497 WeakPolarHBondContact CZ-O 3.32Å; F286-T497 HydrophobicContact CZ-CG2 4.01Å; F286-T497 WeakPolarHBondContact CZ-OG1 2.98Å; T497-E499 VanDerWaalsContact C-N 3.28Å; T497-E499 PolarHBondContact O-N 3.43Å; T497-R500 PolarHBondContact O-N 3.48Å; T497-R500 VanDerWaalsContact O-N 3.15Å; T497-E501 PolarHBondContact O-N 3.47Å
498	Q	69.6	Low	82.3	Confident	78 Å²	78	28.2 Å²	28.2	36%	0.364	15%	0.148	S	C	.	.	H	α-helix	trans	-54.9	-35.8	176.6	-75.7	-151.2	-8.4	0	0	114.4	D244 F246 E496 R502	D244-Q498 PolarHBondContact OD2-NE2 2.86Å; F246-Q498 HydrophobicContact CD1-CG 4.49Å; F246-Q498 HydrophobicContact CE1-CG 4.1Å; F246-Q498 WeakPolarHBondContact CE2-O 3.39Å; F246-Q498 HydrophobicContact CZ-CB 4.36Å; F246-Q498 HydrophobicContact CZ-CG 4.31Å; E496-Q498 PolarHBondContact O-N 3.12Å; Q498-R502 WeakPolarHBondContact O-CG 3.49Å; Q498-R502 PolarHBondContact O-NE 3.06Å; Q498-R502 PolarHBondContact O-NH1 2.67Å; Q498-R502 PolarHBondContact O-NH2 2.68Å
499	E	81.1	Confident	82.4	Confident	53 Å²	53	33.7 Å²	33.7	25%	0.248	17%	0.169	C	C	.	.	H	α-helix	trans	-76	-39.8	177.9	-63.1	-173.9	113.3	0	0	112	G495 E496 T497	G495-E499 WeakPolarHBondContact CA-OE2 3.45Å; E496-E499 HydrophobicContact CB-CG 4.32Å; E496-E499 PolarHBondContact N-OE2 3.19Å; E496-E499 PolarHBondContact O-N 2.87Å; T497-E499 VanDerWaalsContact C-N 3.28Å; T497-E499 PolarHBondContact O-N 3.43Å
500	R	82.3	Confident	82.7	Confident	5 Å²	5	31 Å²	31	2%	0.019	16%	0.156	C	C	.	.	H	α-helix	trans	-63.4	-53.9	-177.7	-67.3	173.3	-179.9	144.3	17.7	112.1	F286 E287 L493 G495 E496 T497 R502 V503 L504	F286-R500 VanDerWaalsContact CE2-CD 3.43Å; F286-R500 VanDerWaalsContact CG-NH1 3.31Å; E287-R500 PolarHBondContact O-NH1 3.43Å; E287-R500 PolarHBondContact O-NH2 3.4Å; L493-R500 HydrophobicContact CD1-CB 4.12Å; L493-R500 HydrophobicContact CD1-CG 4.31Å; L493-R500 HydrophobicContact CG-CB 4.23Å; L493-R500 HydrophobicContact CG-CG 4Å; L493-R500 PolarHBondContact O-NE 3.36Å; G495-R500 PolarHBondContact O-NE 2.91Å; G495-R500 PolarHBondContact O-NH2 3.06Å; E496-R500 WeakPolarHBondContact O-CG 3.31Å; E496-R500 PolarHBondContact O-N 3.03Å; E496-R500 VanDerWaalsContact O-N 3.07Å; T497-R500 PolarHBondContact O-N 3.48Å; T497-R500 VanDerWaalsContact O-N 3.15Å; R500-R502 VanDerWaalsContact C-N 3.34Å; R500-R502 PolarHBondContact O-N 3.37Å; R500-V503 PolarHBondContact O-N 3.21Å; R500-V503 VanDerWaalsContact O-N 3.08Å; R500-L504 PolarHBondContact O-N 3.04Å; R500-L504 VanDerWaalsContact O-N 3.08Å
501	E	82	Confident	83.2	Confident	9 Å²	9	30.1 Å²	30.1	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-72.8	-26.9	-173.5	154.8	-175.6	154.9	0	0	112.5	F246 T497 V503 L504 V505 H526	F246-E501 WeakPolarHBondContact CA-OE1 3.47Å; F246-E501 HydrophobicContact CD2-CB 4.22Å; F246-E501 HydrophobicContact CD2-CG 3.69Å; F246-E501 WeakPolarHBondContact CD2-OE1 3.47Å; F246-E501 HydrophobicContact CE2-CB 3.31Å; F246-E501 VanDerWaalsContact CE2-CD 3.46Å; F246-E501 HydrophobicContact CE2-CG 3.28Å; F246-E501 WeakPolarHBondContact CG-OE1 3.49Å; F246-E501 HydrophobicContact CZ-CB 3.51Å; F246-E501 HydrophobicContact CZ-CG 3.76Å; T497-E501 PolarHBondContact O-N 3.47Å; E501-V503 PolarHBondContact O-N 2.87Å; E501-L504 CarbonylContact O-C 3.54Å; E501-L504 WeakPolarHBondContact O-CA 3.27Å; E501-L504 PolarHBondContact O-N 3.11Å; E501-V505 HydrophobicContact CG-CG2 4.45Å; E501-V505 WeakPolarHBondContact O-CG2 3.41Å; E501-V505 PolarHBondContact O-N 3.44Å; E501-H526 IonicContact OE1-NE2 2.67Å
502	R	86.8	Confident	83.5	Confident	43 Å²	43	30.8 Å²	30.8	16%	0.162	15%	0.15	C	C	.	.	H	α-helix	trans	-53.2	-37.8	167.1	-81.3	-170.9	-70.3	-97	2.6	111.9	G456 Q498 R500 H506	G456-R502 PolarHBondContact O-NE 3.3Å; G456-R502 PolarHBondContact O-NH2 3.16Å; Q498-R502 WeakPolarHBondContact O-CG 3.49Å; Q498-R502 PolarHBondContact O-NE 3.06Å; Q498-R502 PolarHBondContact O-NH1 2.67Å; Q498-R502 PolarHBondContact O-NH2 2.68Å; R500-R502 VanDerWaalsContact C-N 3.34Å; R500-R502 PolarHBondContact O-N 3.37Å; R502-H506 PolarHBondContact O-CD2 3.4Å; R502-H506 VanDerWaalsContact O-CD2 3.27Å
503	V	89.8	Confident	84.1	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-77.4	-37.3	174.2	-169.6	0	0	0	0	111.9	L455 F487 F491 R500 E501 V505 H506 F507	L455-V503 HydrophobicContact CB-CG1 4.46Å; L455-V503 HydrophobicContact CB-CG2 3.68Å; L455-V503 HydrophobicContact CD1-CG1 4.08Å; F487-V503 HydrophobicContact CZ-CG1 3.78Å; F491-V503 HydrophobicContact CE1-CB 4.42Å; F491-V503 HydrophobicContact CE1-CG1 4.15Å; F491-V503 HydrophobicContact CE2-CG1 4.11Å; F491-V503 HydrophobicContact CZ-CB 4.2Å; F491-V503 HydrophobicContact CZ-CG1 3.87Å; F491-V503 HydrophobicContact CZ-CG2 3.91Å; R500-V503 PolarHBondContact O-N 3.21Å; R500-V503 VanDerWaalsContact O-N 3.08Å; E501-V503 PolarHBondContact O-N 2.87Å; V503-V505 VanDerWaalsContact C-N 3.32Å; V503-V505 PolarHBondContact O-N 3.24Å; V503-H506 PolarHBondContact O-N 3.12Å; V503-F507 PolarHBondContact O-N 2.78Å
504	L	91.4	Very high	84.8	Confident	8 Å²	8	37.8 Å²	37.8	4%	0.042	18%	0.183	C	C	.	.	H	α-helix	trans	-63.7	-33.1	176	-62.9	175.1	0	0	0	112.9	L484 F487 L493 R500 E501 F507 S508 T529 M533	L484-L504 HydrophobicContact CD1-CD2 4.31Å; F487-L504 HydrophobicContact CE1-CD2 4.11Å; L493-L504 HydrophobicContact CD1-CD2 4.17Å; L493-L504 HydrophobicContact CD1-CG 4.33Å; R500-L504 PolarHBondContact O-N 3.04Å; R500-L504 VanDerWaalsContact O-N 3.08Å; E501-L504 CarbonylContact O-C 3.54Å; E501-L504 WeakPolarHBondContact O-CA 3.27Å; E501-L504 PolarHBondContact O-N 3.11Å; L504-F507 WeakPolarHBondContact O-CB 3.46Å; L504-F507 PolarHBondContact O-N 3.35Å; L504-S508 PolarHBondContact O-N 3.42Å; L504-S508 PolarHBondContact O-OG 3.27Å; L504-T529 HydrophobicContact CB-CG2 4.37Å; L504-T529 HydrophobicContact CD2-CG2 4.17Å; L504-M533 HydrophobicContact CD1-CG 4.23Å
505	V	90.9	Very high	85.9	Confident	35 Å²	35	36 Å²	36	21%	0.212	18%	0.175	C	C	.	.	H	α-helix	trans	-56.9	-50.3	171.2	169.7	0	0	0	0	110.3	E501 V503 F507 S508 R509 H526	E501-V505 HydrophobicContact CG-CG2 4.45Å; E501-V505 WeakPolarHBondContact O-CG2 3.41Å; E501-V505 PolarHBondContact O-N 3.44Å; V503-V505 VanDerWaalsContact C-N 3.32Å; V503-V505 PolarHBondContact O-N 3.24Å; V505-F507 VanDerWaalsContact C-N 3.31Å; V505-F507 PolarHBondContact O-N 2.87Å; V505-S508 PolarHBondContact O-N 3.04Å; V505-R509 WeakPolarHBondContact O-CG 3.46Å; V505-R509 PolarHBondContact O-N 3.12Å; V505-H526 VanDerWaalsContact CG2-CE1 3.41Å; V505-H526 WeakPolarHBondContact CG2-CE1 3.15Å; V505-H526 WeakPolarHBondContact CG2-NE2 3.41Å; V505-H526 PolarHBondContact N-CE1 3.11Å
506	H	92.6	Very high	86.7	Confident	22 Å²	22	39.8 Å²	39.8	10%	0.102	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-36.3	177.1	-72.9	-82.9	0	0	0	112	Q463 A466 L470 R502 V503 R510	Q463-H506 PolarHBondContact O-CE1 2.87Å; A466-H506 HydrophobicContact CB-CB 4.42Å; L470-H506 VanDerWaalsContact CD1-C 3.43Å; L470-H506 HydrophobicContact CD1-CB 3.46Å; L470-H506 VanDerWaalsContact CD1-CB 3.46Å; R502-H506 PolarHBondContact O-CD2 3.4Å; R502-H506 VanDerWaalsContact O-CD2 3.27Å; V503-H506 PolarHBondContact O-N 3.12Å; H506-R510 WeakPolarHBondContact O-CB 3.22Å; H506-R510 PolarHBondContact O-N 3.21Å
507	F	94.8	Very high	87.1	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-46.1	173.9	161.3	-93.1	0	0	0	111.3	L470 F475 L480 A483 L484 F487 V503 L504 V505 R509 R510 Y511 T529	L470-F507 HydrophobicContact CD1-CB 4.31Å; L470-F507 HydrophobicContact CD2-CB 4.36Å; F475-F507 HydrophobicContact CD2-CE2 4.29Å; F475-F507 HydrophobicContact CE1-CE2 4.2Å; F475-F507 AromaticContact CE2-CD2 3.65Å; F475-F507 HydrophobicContact CE2-CD2 3.65Å; F475-F507 AromaticContact CE2-CE2 3.67Å; F475-F507 HydrophobicContact CE2-CE2 3.67Å; F475-F507 AromaticContact CZ-CD2 3.7Å; F475-F507 HydrophobicContact CZ-CD2 3.7Å; F475-F507 AromaticContact CZ-CE2 3.63Å; F475-F507 HydrophobicContact CZ-CE2 3.63Å; L480-F507 HydrophobicContact CD1-CE1 3.96Å; L480-F507 HydrophobicContact CD1-CZ 4.21Å; A483-F507 HydrophobicContact CB-CE2 4.08Å; A483-F507 HydrophobicContact CB-CZ 3.97Å; L484-F507 VanDerWaalsContact CA-CZ 3.5Å; L484-F507 HydrophobicContact CB-CE1 4.19Å; L484-F507 HydrophobicContact CB-CZ 3.8Å; L484-F507 HydrophobicContact CD1-CD1 4.28Å; L484-F507 HydrophobicContact CD1-CE1 3.91Å; L484-F507 HydrophobicContact CD1-CZ 4.14Å; F487-F507 HydrophobicContact CB-CD2 3.71Å; F487-F507 HydrophobicContact CB-CE2 3.85Å; F487-F507 HydrophobicContact CD1-CB 4.33Å; F487-F507 AromaticContact CD1-CD2 3.9Å; F487-F507 HydrophobicContact CD1-CD2 3.9Å; F487-F507 HydrophobicContact CD1-CG 4.15Å; F487-F507 HydrophobicContact CE1-CB 4.4Å; F487-F507 AromaticContact CG-CD2 3.77Å; F487-F507 HydrophobicContact CG-CD2 3.77Å; F487-F507 HydrophobicContact CG-CE2 4.38Å; F487-F507 HydrophobicContact CG-CG 4.43Å; V503-F507 PolarHBondContact O-N 2.78Å; L504-F507 WeakPolarHBondContact O-CB 3.46Å; L504-F507 PolarHBondContact O-N 3.35Å; V505-F507 VanDerWaalsContact C-N 3.31Å; V505-F507 PolarHBondContact O-N 2.87Å; F507-R509 PolarHBondContact O-N 2.97Å; F507-R510 PolarHBondContact O-N 3.25Å; F507-Y511 PolarHBondContact O-N 3.18Å; F507-T529 HydrophobicContact CD1-CG2 3.96Å; F507-T529 HydrophobicContact CE1-CG2 4Å
508	S	94.1	Very high	87.4	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.007	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-43.4	-179.8	-53.9	0	0	0	0	111.8	L504 V505 R510 Y511 C512 H526 T529	L504-S508 PolarHBondContact O-N 3.42Å; L504-S508 PolarHBondContact O-OG 3.27Å; V505-S508 PolarHBondContact O-N 3.04Å; S508-R510 PolarHBondContact O-N 3.15Å; S508-Y511 PolarHBondContact O-N 3.33Å; S508-C512 PolarHBondContact O-N 2.89Å; S508-H526 VanDerWaalsContact OG-CA 3.26Å; S508-H526 WeakPolarHBondContact OG-CA 3.23Å; S508-H526 PolarHBondContact OG-ND1 3.42Å; S508-H526 VanDerWaalsContact OG-ND1 3.14Å; S508-T529 PolarHBondContact OG-OG1 3.33Å
509	R	92.5	Very high	87.2	Confident	115 Å²	115	46 Å²	46	43%	0.434	24%	0.237	S	C	.	.	H	α-helix	trans	-57.7	-47	171.4	-65.5	-174.8	173	138.3	3.5	112	V505 F507 Y511 C512 H513 E522	V505-R509 WeakPolarHBondContact O-CG 3.46Å; V505-R509 PolarHBondContact O-N 3.12Å; F507-R509 PolarHBondContact O-N 2.97Å; R509-Y511 VanDerWaalsContact C-N 3.35Å; R509-Y511 PolarHBondContact O-N 3Å; R509-C512 PolarHBondContact O-N 2.77Å; R509-H513 WeakPolarHBondContact O-CB 3.39Å; R509-H513 PolarHBondContact O-N 2.68Å; R509-E522 WeakPolarHBondContact CG-OE2 3.33Å; R509-E522 IonicContact NE-OE2 3.18Å
510	R	94.6	Very high	86.9	Confident	52 Å²	52	44.3 Å²	44.3	20%	0.196	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-38.9	178.2	-179.1	62.5	-178.1	166.5	2.7	112.3	L470 S471 F473 F475 H506 F507 S508 H513 C514	L470-R510 HydrophobicContact CB-CB 4.18Å; L470-R510 HydrophobicContact CB-CG 4.19Å; L470-R510 WeakPolarHBondContact O-CD 3.45Å; L470-R510 WeakPolarHBondContact O-CG 3.44Å; L470-R510 PolarHBondContact O-NE 3.43Å; L470-R510 VanDerWaalsContact O-NE 3.11Å; S471-R510 PolarHBondContact O-NH2 2.72Å; F473-R510 VanDerWaalsContact O-CZ 3.3Å; F473-R510 PolarHBondContact O-NE 3.09Å; F473-R510 PolarHBondContact O-NH2 2.78Å; F475-R510 HydrophobicContact CD2-CB 4.41Å; F475-R510 HydrophobicContact CD2-CG 3.79Å; F475-R510 HydrophobicContact CE2-CB 4.16Å; F475-R510 HydrophobicContact CE2-CG 3.66Å; H506-R510 WeakPolarHBondContact O-CB 3.22Å; H506-R510 PolarHBondContact O-N 3.21Å; F507-R510 PolarHBondContact O-N 3.25Å; S508-R510 PolarHBondContact O-N 3.15Å; R510-H513 PolarHBondContact O-N 2.88Å; R510-C514 PolarHBondContact O-N 3.04Å; R510-C514 PolarHBondContact O-SG 2.77Å
511	Y	94.4	Very high	87	Confident	17 Å²	17	46 Å²	46	7%	0.067	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-48.4	175.8	173.4	-94.3	0	0	0	111.8	F475 L478 L480 A483 F507 S508 R509 C514 N515 T518 A525	F475-Y511 HydrophobicContact CB-CD2 4.36Å; L478-Y511 WeakPolarHBondContact O-CE2 3.46Å; L480-Y511 VanDerWaalsContact CA-CE2 3.49Å; L480-Y511 HydrophobicContact CB-CE1 4.23Å; L480-Y511 HydrophobicContact CB-CE2 4.11Å; L480-Y511 HydrophobicContact CD1-CD1 3.75Å; L480-Y511 HydrophobicContact CD1-CD2 4.04Å; L480-Y511 HydrophobicContact CD1-CE1 3.96Å; L480-Y511 HydrophobicContact CD1-CE2 4.22Å; L480-Y511 HydrophobicContact CD1-CG 3.79Å; L480-Y511 PolarHBondContact N-OH 3.35Å; A483-Y511 HydrophobicContact CB-CD2 3.61Å; A483-Y511 HydrophobicContact CB-CE2 4.02Å; F507-Y511 PolarHBondContact O-N 3.18Å; S508-Y511 PolarHBondContact O-N 3.33Å; R509-Y511 VanDerWaalsContact C-N 3.35Å; R509-Y511 PolarHBondContact O-N 3Å; Y511-C514 PolarHBondContact O-N 2.95Å; Y511-N515 WeakPolarHBondContact O-CB 3.2Å; Y511-N515 PolarHBondContact O-N 3.22Å; Y511-N515 PolarHBondContact O-ND2 3.17Å; Y511-T518 HydrophobicContact CE1-CG2 4.39Å; Y511-A525 HydrophobicContact CD1-CB 4.33Å
512	C	91.7	Very high	87.3	Confident	17 Å²	17	49.8 Å²	49.8	12%	0.115	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-41.4	176.9	-69.2	0	0	0	0	112	S508 R509 C514 N515 E522 A525	S508-C512 PolarHBondContact O-N 2.89Å; R509-C512 PolarHBondContact O-N 2.77Å; C512-C514 VanDerWaalsContact C-N 3.33Å; C512-C514 PolarHBondContact O-N 3.01Å; C512-N515 CarbonylContact O-C 3.21Å; C512-N515 PolarHBondContact O-N 3.21Å; C512-N515 VanDerWaalsContact O-N 3.1Å; C512-E522 HydrophobicContact CB-CG 4.14Å; C512-A525 WeakPolarHBondContact SG-CB 3.36Å
513	H	91.8	Very high	87.2	Confident	138 Å²	138	52 Å²	52	64%	0.639	28%	0.275	S	S	*	.	H	α-helix	trans	-60.4	-38.6	175.3	-178.2	90.8	0	0	0	113.1	R509 R510	R509-H513 WeakPolarHBondContact O-CB 3.39Å; R509-H513 PolarHBondContact O-N 2.68Å; R510-H513 PolarHBondContact O-N 2.88Å
514	C	92.2	Very high	87.2	Confident	15 Å²	15	52 Å²	52	10%	0.101	28%	0.275	C	S	.	.	H	α-helix	trans	-76.1	-22.1	175	-62.5	0	0	0	0	113.2	F475 R510 Y511 C512 P516	F475-C514 HydrophobicContact CB-CB 3.99Å; R510-C514 PolarHBondContact O-N 3.04Å; R510-C514 PolarHBondContact O-SG 2.77Å; Y511-C514 PolarHBondContact O-N 2.95Å; C512-C514 VanDerWaalsContact C-N 3.33Å; C512-C514 PolarHBondContact O-N 3.01Å; C514-P516 VanDerWaalsContact C-CD 3.45Å
515	N	89.9	Confident	87.1	Confident	20 Å²	20	51.6 Å²	51.6	11%	0.107	27%	0.273	C	S	.	.			trans	-130.2	59.3	-173.4	-59.7	-75.7	0	0	0	112.6	F475 G477 Y511 C512 L517 T518	F475-N515 PolarHBondContact O-ND2 2.85Å; F475-N515 PolarHBondContact O-OD1 2.67Å; G477-N515 PolarHBondContact N-OD1 2.97Å; Y511-N515 WeakPolarHBondContact O-CB 3.2Å; Y511-N515 PolarHBondContact O-N 3.22Å; Y511-N515 PolarHBondContact O-ND2 3.17Å; C512-N515 CarbonylContact O-C 3.21Å; C512-N515 PolarHBondContact O-N 3.21Å; C512-N515 VanDerWaalsContact O-N 3.1Å; N515-L517 PolarHBondContact O-N 3.03Å; N515-T518 WeakPolarHBondContact CB-OG1 3.3Å; N515-T518 WeakPolarHBondContact O-CB 3.21Å; N515-T518 PolarHBondContact O-N 2.69Å; N515-T518 PolarHBondContact O-OG1 3.47Å
516	P	81.9	Confident	87.1	Confident	107 Å²	107	50.7 Å²	50.7	70%	0.695	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-1.7	-173.5	30.2	-38.1	0	0	0	114.7	C514	C514-P516 VanDerWaalsContact C-CD 3.45Å
517	L	75.6	Confident	86.9	Confident	174 Å²	174	49.6 Å²	49.6	91%	0.911	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	0.5	172.7	-59.8	177.7	0	0	0	112.8	N515	N515-L517 PolarHBondContact O-N 3.03Å
518	T	75.6	Confident	86.8	Confident	39 Å²	39	49.8 Å²	49.8	24%	0.239	26%	0.262	C	S	.	.	S	Bend	trans	-72.7	134	174.9	-47.2	0	0	0	0	109.4	Y511 N515 T520	Y511-T518 HydrophobicContact CE1-CG2 4.39Å; N515-T518 WeakPolarHBondContact CB-OG1 3.3Å; N515-T518 WeakPolarHBondContact O-CB 3.21Å; N515-T518 PolarHBondContact O-N 2.69Å; N515-T518 PolarHBondContact O-OG1 3.47Å; T518-T520 PolarHBondContact O-N 2.76Å
519	P	64.6	Low	86.7	Confident	96 Å²	96	49.7 Å²	49.7	62%	0.623	26%	0.262	S	S	*	.	S	Bend	trans	-78.7	44.3	-178.7	35.2	-39.1	0	0	0	112.5
520	T	76	Confident	86.4	Confident	17 Å²	17	44.5 Å²	44.5	10%	0.104	24%	0.243	C	C	.	.			trans	-144.9	129.7	-170.3	-48.6	0	0	0	0	110.1	T518 G524 A525 L528 F566	T518-T520 PolarHBondContact O-N 2.76Å; T520-G524 VanDerWaalsContact CG2-C 3.41Å; T520-A525 HydrophobicContact CG2-CB 4.27Å; T520-A525 VanDerWaalsContact CG2-N 3.33Å; T520-L528 HydrophobicContact CG2-CD1 4.29Å; T520-F566 HydrophobicContact CG2-CD1 4.49Å; T520-F566 HydrophobicContact CG2-CE1 3.96Å
521	S	84.1	Confident	86.1	Confident	40 Å²	40	42 Å²	42	28%	0.28	23%	0.234	S	C	.	.			trans	-67.2	169.5	176.1	56.8	0	0	0	0	111.8	D523 G524 A525 N562	S521-D523 VanDerWaalsContact C-N 3.27Å; S521-D523 PolarHBondContact O-N 3.33Å; S521-G524 PolarHBondContact O-N 3.23Å; S521-G524 PolarHBondContact OG-N 3.4Å; S521-A525 WeakPolarHBondContact O-CB 3.34Å; S521-A525 PolarHBondContact O-N 2.89Å; S521-N562 PolarHBondContact OG-ND2 2.9Å
522	E	87.5	Confident	85.9	Confident	89 Å²	89	41.2 Å²	41.2	42%	0.416	23%	0.23	S	C	.	.	H	α-helix	trans	-57.7	-43.3	171.5	-60.8	-166.7	156.6	0	0	111	R509 C512 A525 H526	R509-E522 WeakPolarHBondContact CG-OE2 3.33Å; R509-E522 IonicContact NE-OE2 3.18Å; C512-E522 HydrophobicContact CB-CG 4.14Å; E522-A525 PolarHBondContact O-N 2.73Å; E522-H526 WeakPolarHBondContact O-CB 3.46Å; E522-H526 PolarHBondContact O-N 3.48Å
523	D	85.8	Confident	85.7	Confident	89 Å²	89	41.2 Å²	41.2	48%	0.476	23%	0.229	S	C	.	.	H	α-helix	trans	-66.9	-39.1	177.9	-32.7	-63.9	0	0	0	111.9	S521 H526 T527 N562	S521-D523 VanDerWaalsContact C-N 3.27Å; S521-D523 PolarHBondContact O-N 3.33Å; D523-H526 PolarHBondContact O-N 2.99Å; D523-T527 VanDerWaalsContact O-CB 3.29Å; D523-T527 WeakPolarHBondContact O-CB 3.33Å; D523-T527 PolarHBondContact O-N 2.87Å; D523-T527 PolarHBondContact O-OG1 2.79Å; D523-N562 PolarHBondContact OD2-ND2 3.04Å
524	G	88.5	Confident	85.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.8	-41.2	175.5	0	0	0	0	0	112	T520 S521 H526 T527 L528	T520-G524 VanDerWaalsContact CG2-C 3.41Å; S521-G524 PolarHBondContact O-N 3.23Å; S521-G524 PolarHBondContact OG-N 3.4Å; G524-H526 VanDerWaalsContact C-N 3.3Å; G524-H526 PolarHBondContact O-N 3.06Å; G524-T527 PolarHBondContact O-N 2.78Å; G524-L528 WeakPolarHBondContact O-CB 3.26Å; G524-L528 WeakPolarHBondContact O-CG 3.44Å; G524-L528 PolarHBondContact O-N 2.77Å
525	A	90.5	Very high	84.9	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-68.9	-32.2	176.1	0	0	0	0	0	111.4	Y511 C512 T520 S521 E522 T529	Y511-A525 HydrophobicContact CD1-CB 4.33Å; C512-A525 WeakPolarHBondContact SG-CB 3.36Å; T520-A525 HydrophobicContact CG2-CB 4.27Å; T520-A525 VanDerWaalsContact CG2-N 3.33Å; S521-A525 WeakPolarHBondContact O-CB 3.34Å; S521-A525 PolarHBondContact O-N 2.89Å; E522-A525 PolarHBondContact O-N 2.73Å; A525-T529 WeakPolarHBondContact O-CB 3.45Å; A525-T529 PolarHBondContact O-N 3.18Å; A525-T529 PolarHBondContact O-OG1 2.93Å
526	H	90.1	Very high	84.7	Confident	15 Å²	15	34 Å²	34	7%	0.069	19%	0.194	C	C	.	.	H	α-helix	trans	-69.4	-48.9	172.4	-169	56.6	0	0	0	112.4	E501 V505 S508 E522 D523 G524 L528 T529 C530	E501-H526 IonicContact OE1-NE2 2.67Å; V505-H526 VanDerWaalsContact CG2-CE1 3.41Å; V505-H526 WeakPolarHBondContact CG2-CE1 3.15Å; V505-H526 WeakPolarHBondContact CG2-NE2 3.41Å; V505-H526 PolarHBondContact N-CE1 3.11Å; S508-H526 VanDerWaalsContact OG-CA 3.26Å; S508-H526 WeakPolarHBondContact OG-CA 3.23Å; S508-H526 PolarHBondContact OG-ND1 3.42Å; S508-H526 VanDerWaalsContact OG-ND1 3.14Å; E522-H526 WeakPolarHBondContact O-CB 3.46Å; E522-H526 PolarHBondContact O-N 3.48Å; D523-H526 PolarHBondContact O-N 2.99Å; G524-H526 VanDerWaalsContact C-N 3.3Å; G524-H526 PolarHBondContact O-N 3.06Å; H526-L528 VanDerWaalsContact C-N 3.29Å; H526-L528 PolarHBondContact O-N 3.47Å; H526-T529 WeakPolarHBondContact O-CA 3.29Å; H526-T529 WeakPolarHBondContact O-CB 3.41Å; H526-T529 PolarHBondContact O-N 2.82Å; H526-C530 PolarHBondContact O-N 2.93Å
527	T	89.5	Confident	84.4	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-52.8	-46.2	172.6	-59.3	0	0	0	0	110.9	I253 D523 G524 A531 L560 F566	I253-T527 HydrophobicContact CD1-CG2 3.97Å; I253-T527 HydrophobicContact CG1-CG2 4.16Å; D523-T527 VanDerWaalsContact O-CB 3.29Å; D523-T527 WeakPolarHBondContact O-CB 3.33Å; D523-T527 PolarHBondContact O-N 2.87Å; D523-T527 PolarHBondContact O-OG1 2.79Å; G524-T527 PolarHBondContact O-N 2.78Å; T527-A531 VanDerWaalsContact O-CB 3.28Å; T527-A531 WeakPolarHBondContact O-CB 3.29Å; T527-A531 PolarHBondContact O-N 3.24Å; T527-L560 HydrophobicContact CG2-CB 4.03Å; T527-F566 HydrophobicContact CG2-CE2 4.21Å; T527-F566 HydrophobicContact CG2-CZ 4.13Å
528	L	91.3	Very high	84.4	Confident	3 Å²	3	22.3 Å²	22.3	2%	0.016	13%	0.127	C	C	.	.	H	α-helix	trans	-64.6	-40.5	173.2	-71.1	177.4	0	0	0	112.6	L480 T520 G524 H526 A531 L532 L557 F566 L570 L571 L574	L480-L528 HydrophobicContact CD2-CB 3.49Å; L480-L528 VanDerWaalsContact CD2-CB 3.49Å; L480-L528 HydrophobicContact CD2-CD1 4.13Å; L480-L528 HydrophobicContact CD2-CG 4.47Å; T520-L528 HydrophobicContact CG2-CD1 4.29Å; G524-L528 WeakPolarHBondContact O-CB 3.26Å; G524-L528 WeakPolarHBondContact O-CG 3.44Å; G524-L528 PolarHBondContact O-N 2.77Å; H526-L528 VanDerWaalsContact C-N 3.29Å; H526-L528 PolarHBondContact O-N 3.47Å; L528-A531 PolarHBondContact O-N 3.47Å; L528-L532 WeakPolarHBondContact O-CB 3.35Å; L528-L532 WeakPolarHBondContact O-CG 3.44Å; L528-L532 PolarHBondContact O-N 3.47Å; L528-L557 HydrophobicContact CD2-CD1 4.11Å; L528-F566 HydrophobicContact CD1-CD1 3.8Å; L528-F566 HydrophobicContact CD1-CE1 3.7Å; L528-F566 HydrophobicContact CD1-CZ 4.47Å; L528-F566 HydrophobicContact CD2-CD1 3.95Å; L528-F566 HydrophobicContact CD2-CD2 4.17Å; L528-F566 HydrophobicContact CD2-CE1 3.92Å; L528-F566 HydrophobicContact CD2-CE2 4.13Å; L528-F566 HydrophobicContact CD2-CG 4.07Å; L528-F566 HydrophobicContact CD2-CZ 4.01Å; L528-F566 HydrophobicContact CG-CD1 3.93Å; L528-F566 HydrophobicContact CG-CE1 3.53Å; L528-F566 HydrophobicContact CG-CE2 4.42Å; L528-F566 HydrophobicContact CG-CZ 3.8Å; L528-L570 HydrophobicContact CD1-CD2 4.39Å; L528-L571 HydrophobicContact CD2-CD2 3.56Å; L528-L574 HydrophobicContact CD1-CD1 4.31Å
529	T	92.1	Very high	84.6	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-49.5	177.6	-59.5	0	0	0	0	110.7	L484 L504 F507 S508 A525 H526 L532 M533	L484-T529 HydrophobicContact CD1-CG2 3.99Å; L484-T529 HydrophobicContact CD2-CG2 4.27Å; L504-T529 HydrophobicContact CB-CG2 4.37Å; L504-T529 HydrophobicContact CD2-CG2 4.17Å; F507-T529 HydrophobicContact CD1-CG2 3.96Å; F507-T529 HydrophobicContact CE1-CG2 4Å; S508-T529 PolarHBondContact OG-OG1 3.33Å; A525-T529 WeakPolarHBondContact O-CB 3.45Å; A525-T529 PolarHBondContact O-N 3.18Å; A525-T529 PolarHBondContact O-OG1 2.93Å; H526-T529 WeakPolarHBondContact O-CA 3.29Å; H526-T529 WeakPolarHBondContact O-CB 3.41Å; H526-T529 PolarHBondContact O-N 2.82Å; T529-L532 PolarHBondContact O-N 3.38Å; T529-M533 WeakPolarHBondContact O-CG 3.49Å; T529-M533 PolarHBondContact O-N 3.44Å
530	C	87.5	Confident	85.2	Confident	6 Å²	6	19.7 Å²	19.7	4%	0.041	10%	0.104	C	C	.	.	H	α-helix	trans	-65.4	-39	177.6	-63.1	0	0	0	0	112	I253 H526 L532 M533 L534	I253-C530 HydrophobicContact CD1-CB 4.34Å; H526-C530 PolarHBondContact O-N 2.93Å; C530-L532 VanDerWaalsContact C-N 3.32Å; C530-L532 PolarHBondContact O-N 2.89Å; C530-M533 PolarHBondContact O-N 2.92Å; C530-L534 PolarHBondContact O-N 2.94Å
531	A	88.4	Confident	84.6	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.4	-33.5	173.5	0	0	0	0	0	113.3	I253 T527 L528 L535 F553 L557	I253-A531 HydrophobicContact CD1-CB 4.44Å; T527-A531 VanDerWaalsContact O-CB 3.28Å; T527-A531 WeakPolarHBondContact O-CB 3.29Å; T527-A531 PolarHBondContact O-N 3.24Å; L528-A531 PolarHBondContact O-N 3.47Å; A531-L535 VanDerWaalsContact O-CB 3.23Å; A531-L535 WeakPolarHBondContact O-CB 3.41Å; A531-L535 PolarHBondContact O-N 3.18Å; A531-F553 HydrophobicContact CB-CE2 4.16Å; A531-L557 HydrophobicContact CB-CD1 4.11Å; A531-L557 HydrophobicContact CB-CD2 3.8Å
532	L	90.4	Very high	82.9	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-74.9	-33.6	175.5	-66.5	169.9	0	0	0	112.4	L480 L484 L528 T529 C530 N536 F553 L574 I578	L480-L532 HydrophobicContact CD2-CD1 4.05Å; L480-L532 HydrophobicContact CG-CD1 4.26Å; L484-L532 HydrophobicContact CD2-CB 4.29Å; L528-L532 WeakPolarHBondContact O-CB 3.35Å; L528-L532 WeakPolarHBondContact O-CG 3.44Å; L528-L532 PolarHBondContact O-N 3.47Å; T529-L532 PolarHBondContact O-N 3.38Å; C530-L532 VanDerWaalsContact C-N 3.32Å; C530-L532 PolarHBondContact O-N 2.89Å; L532-N536 WeakPolarHBondContact O-CB 3.36Å; L532-N536 PolarHBondContact O-N 2.99Å; L532-F553 HydrophobicContact CD2-CZ 4.13Å; L532-L574 HydrophobicContact CD1-CD1 4.44Å; L532-L574 HydrophobicContact CD1-CD2 4.25Å; L532-L574 HydrophobicContact CD2-CB 3.86Å; L532-I578 HydrophobicContact CB-CD1 4.26Å; L532-I578 HydrophobicContact CB-CG1 4.39Å; L532-I578 HydrophobicContact CD2-CD1 4.14Å; L532-I578 HydrophobicContact CD2-CG1 3.54Å; L532-I578 HydrophobicContact CG-CG1 4.47Å
533	M	86.1	Confident	81.3	Confident	17 Å²	17	18.7 Å²	18.7	8%	0.084	10%	0.098	C	C	.	.	H	α-helix	trans	-62.7	-47.7	170	-66.5	-57.3	-53.3	0	0	111	L484 L488 L493 L504 T529 C530 N536 T537 L583 W585	L484-M533 HydrophobicContact CD2-SD 4.32Å; L488-M533 HydrophobicContact CD1-SD 4.14Å; L493-M533 HydrophobicContact CD2-CE 3.38Å; L493-M533 HydrophobicContact CD2-SD 4.28Å; L504-M533 HydrophobicContact CD1-CG 4.23Å; T529-M533 WeakPolarHBondContact O-CG 3.49Å; T529-M533 PolarHBondContact O-N 3.44Å; C530-M533 PolarHBondContact O-N 2.92Å; M533-N536 WeakPolarHBondContact O-CB 3.44Å; M533-N536 PolarHBondContact O-N 3.21Å; M533-T537 PolarHBondContact O-N 3.2Å; M533-T537 PolarHBondContact O-OG1 3.28Å; M533-L583 HydrophobicContact SD-CD1 3.61Å; M533-W585 HydrophobicContact CE-CE3 4.43Å; M533-W585 HydrophobicContact CE-CH2 4.43Å; M533-W585 HydrophobicContact CE-CZ3 3.85Å
534	L	82.7	Confident	79.2	Confident	17 Å²	17	18.3 Å²	18.3	9%	0.089	10%	0.095	C	C	.	.	H	α-helix	trans	-60.9	-46.2	174.9	-80.2	172.5	0	0	0	112.6	F250 I253 Y265 C530 N536 T537 D538	F250-L534 HydrophobicContact CD2-CD1 4.29Å; F250-L534 HydrophobicContact CE2-CD1 3.92Å; F250-L534 HydrophobicContact CE2-CD2 3.72Å; F250-L534 HydrophobicContact CE2-CG 3.91Å; F250-L534 HydrophobicContact CZ-CD1 4.36Å; F250-L534 HydrophobicContact CZ-CD2 3.76Å; F250-L534 HydrophobicContact CZ-CG 4.4Å; I253-L534 HydrophobicContact CG2-CD1 3.95Å; Y265-L534 HydrophobicContact CD1-CB 4.12Å; Y265-L534 HydrophobicContact CD1-CD1 4.3Å; Y265-L534 HydrophobicContact CD1-CD2 4.32Å; Y265-L534 HydrophobicContact CE1-CB 3.71Å; Y265-L534 HydrophobicContact CE1-CD1 4.13Å; Y265-L534 HydrophobicContact CE1-CG 4.41Å; C530-L534 PolarHBondContact O-N 2.94Å; L534-N536 VanDerWaalsContact C-N 3.28Å; L534-N536 PolarHBondContact O-N 2.92Å; L534-T537 PolarHBondContact O-N 3.38Å; L534-D538 PolarHBondContact O-N 3.37Å
535	L	85.4	Confident	77.6	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.6	-34.4	178.4	-176.7	68.4	0	0	0	112	A531 T537 D538 L539 M548 F553 Y575 I578	A531-L535 VanDerWaalsContact O-CB 3.23Å; A531-L535 WeakPolarHBondContact O-CB 3.41Å; A531-L535 PolarHBondContact O-N 3.18Å; L535-T537 VanDerWaalsContact C-N 3.35Å; L535-D538 PolarHBondContact O-N 3.27Å; L535-L539 HydrophobicContact CD1-CD1 3.76Å; L535-L539 HydrophobicContact CD1-CD2 4.4Å; L535-L539 HydrophobicContact CD1-CG 3.76Å; L535-L539 HydrophobicContact CD2-CD1 4.08Å; L535-L539 HydrophobicContact CG-CD1 3.7Å; L535-L539 HydrophobicContact CG-CG 4.02Å; L535-L539 VanDerWaalsContact O-CB 3.32Å; L535-L539 WeakPolarHBondContact O-CB 3.28Å; L535-L539 WeakPolarHBondContact O-CG 3.29Å; L535-L539 PolarHBondContact O-N 3.39Å; L535-M548 HydrophobicContact CD1-SD 4.46Å; L535-F553 HydrophobicContact CB-CD2 4.22Å; L535-F553 HydrophobicContact CB-CE2 3.97Å; L535-F553 HydrophobicContact CD1-CB 4.48Å; L535-F553 HydrophobicContact CD1-CD2 3.88Å; L535-F553 HydrophobicContact CD1-CE2 4.44Å; L535-F553 HydrophobicContact CD1-CG 4.32Å; L535-F553 HydrophobicContact CD2-CD1 4.4Å; L535-F553 HydrophobicContact CD2-CD2 3.86Å; L535-F553 HydrophobicContact CD2-CE1 4.31Å; L535-F553 HydrophobicContact CD2-CE2 3.76Å; L535-F553 HydrophobicContact CD2-CG 4.17Å; L535-F553 HydrophobicContact CD2-CZ 3.99Å; L535-F553 HydrophobicContact CG-CD2 4.19Å; L535-F553 HydrophobicContact CG-CE2 4.26Å; L535-Y575 HydrophobicContact CD1-CD2 3.8Å; L535-Y575 HydrophobicContact CD1-CE2 3.86Å; L535-Y575 HydrophobicContact CD2-CD2 3.63Å; L535-Y575 HydrophobicContact CD2-CE2 4.43Å; L535-Y575 HydrophobicContact CD2-CG 4.19Å; L535-Y575 HydrophobicContact CG-CD2 4.34Å; L535-I578 HydrophobicContact CD2-CB 4.08Å; L535-I578 HydrophobicContact CD2-CG1 4.32Å; L535-I578 HydrophobicContact CD2-CG2 4.3Å; L535-I578 HydrophobicContact CG-CG2 4.24Å
536	N	84.6	Confident	76.2	Confident	5 Å²	5	28.1 Å²	28.1	3%	0.027	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-43	174.5	-175.7	73.9	0	0	0	111.4	L532 M533 L534 H540 I578 K582 L583	L532-N536 WeakPolarHBondContact O-CB 3.36Å; L532-N536 PolarHBondContact O-N 2.99Å; M533-N536 WeakPolarHBondContact O-CB 3.44Å; M533-N536 PolarHBondContact O-N 3.21Å; L534-N536 VanDerWaalsContact C-N 3.28Å; L534-N536 PolarHBondContact O-N 2.92Å; N536-H540 WeakPolarHBondContact O-CB 2.93Å; N536-H540 PolarHBondContact O-N 3.16Å; N536-H540 PolarHBondContact OD1-CD2 2.93Å; N536-I578 HydrophobicContact CB-CG2 3.97Å; N536-K582 WeakPolarHBondContact OD1-CA 3.4Å; N536-L583 HydrophobicContact CB-CB 4.4Å; N536-L583 HydrophobicContact CB-CD1 3.92Å; N536-L583 HydrophobicContact CB-CG 4.11Å; N536-L583 PolarHBondContact OD1-N 2.71Å
537	T	76.8	Confident	75.5	Confident	14 Å²	14	31.9 Å²	31.9	9%	0.086	17%	0.169	C	C	.	.	H	α-helix	trans	-64.4	-42.3	174.9	-55.8	0	0	0	0	111.8	V273 M533 L534 L535 G541 N543	V273-T537 HydrophobicContact CG1-CG2 4.22Å; M533-T537 PolarHBondContact O-N 3.2Å; M533-T537 PolarHBondContact O-OG1 3.28Å; L534-T537 PolarHBondContact O-N 3.38Å; L535-T537 VanDerWaalsContact C-N 3.35Å; T537-G541 WeakPolarHBondContact O-CA 3.36Å; T537-G541 PolarHBondContact O-N 2.78Å; T537-N543 PolarHBondContact O-ND2 3.02Å
538	D	75.9	Confident	75	Confident	21 Å²	21	32 Å²	32	11%	0.112	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-49.6	174.8	174.5	98.5	0	0	0	112.4	L534 L535 N543 K547 M548	L534-D538 PolarHBondContact O-N 3.37Å; L535-D538 PolarHBondContact O-N 3.27Å; D538-N543 WeakPolarHBondContact CA-ND2 3.46Å; D538-N543 PolarHBondContact O-ND2 3.38Å; D538-K547 WeakPolarHBondContact O-CE 3.34Å; D538-K547 WeakPolarHBondContact O-CG 3.22Å; D538-M548 VanDerWaalsContact CG-N 3.32Å; D538-M548 PolarHBondContact OD1-N 2.88Å; D538-M548 VanDerWaalsContact OD1-N 3.09Å; D538-M548 VanDerWaalsContact OD2-CB 3.31Å; D538-M548 WeakPolarHBondContact OD2-CB 3.25Å; D538-M548 PolarHBondContact OD2-N 2.88Å
539	L	78.6	Confident	74.7	Confident	16 Å²	16	34 Å²	34	8%	0.084	18%	0.184	C	C	.	.	H	α-helix	trans	-77.2	-30.1	-171.9	-67.9	-175.7	0	0	0	113.7	L535 K547 Y575 I578 K579	L535-L539 HydrophobicContact CD1-CD1 3.76Å; L535-L539 HydrophobicContact CD1-CD2 4.4Å; L535-L539 HydrophobicContact CD1-CG 3.76Å; L535-L539 HydrophobicContact CD2-CD1 4.08Å; L535-L539 HydrophobicContact CG-CD1 3.7Å; L535-L539 HydrophobicContact CG-CG 4.02Å; L535-L539 VanDerWaalsContact O-CB 3.32Å; L535-L539 WeakPolarHBondContact O-CB 3.28Å; L535-L539 WeakPolarHBondContact O-CG 3.29Å; L535-L539 PolarHBondContact O-N 3.39Å; L539-K547 HydrophobicContact CD2-CB 4.43Å; L539-K547 WeakPolarHBondContact O-CE 3.49Å; L539-K547 PolarHBondContact O-NZ 3.4Å; L539-Y575 HydrophobicContact CD1-CD2 4.45Å; L539-Y575 HydrophobicContact CD1-CE2 4.1Å; L539-Y575 HydrophobicContact CD2-CE2 4.31Å; L539-I578 HydrophobicContact CD1-CG2 4.34Å; L539-K579 HydrophobicContact CD1-CB 3.78Å; L539-K579 HydrophobicContact CD1-CG 4.33Å
540	H	77.5	Confident	74.5	Confident	64 Å²	64	35.4 Å²	35.4	30%	0.296	19%	0.193	S	C	.	.	H	α-helix	trans	-121.6	-14.7	-175.2	-60.7	-67.6	0	0	0	115.1	N536 I578 K579 K582	N536-H540 WeakPolarHBondContact O-CB 2.93Å; N536-H540 PolarHBondContact O-N 3.16Å; N536-H540 PolarHBondContact OD1-CD2 2.93Å; H540-I578 PolarHBondContact NE2-O 3.23Å; H540-K579 PolarHBondContact CE1-O 3.47Å; H540-K582 HydrophobicContact CB-CB 4.24Å; H540-K582 VanDerWaalsContact CD2-CB 3.46Å; H540-K582 WeakPolarHBondContact CD2-CB 3.22Å
541	G	64.4	Low	74.4	Confident	11 Å²	11	41.4 Å²	41.4	11%	0.113	22%	0.221	C	C	.	.	S	Bend	trans	-72.4	173.6	173.9	0	0	0	0	0	113.9	T537 N543	T537-G541 WeakPolarHBondContact O-CA 3.36Å; T537-G541 PolarHBondContact O-N 2.78Å; G541-N543 PolarHBondContact O-N 3.09Å; G541-N543 VanDerWaalsContact O-N 3.11Å; G541-N543 PolarHBondContact O-ND2 2.99Å
542	H	48.3	Very low	74.1	Confident	84 Å²	84	43.1 Å²	43.1	39%	0.389	23%	0.229	S	C	.	.			trans	-82.1	28.1	-174.1	-70.1	113.6	0	0	0	114.5	I544 T618	H542-I544 PolarHBondContact O-N 2.72Å; H542-T618 WeakPolarHBondContact NE2-CB 3.33Å; H542-T618 PolarHBondContact NE2-OG1 3.42Å
543	N	52.1	Low	73.9	Confident	30 Å²	30	43.1 Å²	43.1	16%	0.16	23%	0.229	C	C	.	.			trans	-55.3	129.7	-174	-51.3	-76.6	0	0	0	112.2	D269 T537 D538 G541 G545	D269-N543 WeakPolarHBondContact OD2-CA 3.46Å; T537-N543 PolarHBondContact O-ND2 3.02Å; D538-N543 WeakPolarHBondContact CA-ND2 3.46Å; D538-N543 PolarHBondContact O-ND2 3.38Å; G541-N543 PolarHBondContact O-N 3.09Å; G541-N543 VanDerWaalsContact O-N 3.11Å; G541-N543 PolarHBondContact O-ND2 2.99Å; N543-G545 PolarHBondContact O-N 2.96Å
544	I	43.5	Very low	74	Confident	80 Å²	80	42.5 Å²	42.5	41%	0.41	23%	0.226	S	C	.	.	S	Bend	trans	-87.8	40.1	-172.3	-45.8	-175.6	0	0	0	109.6	D269 H542 I622 M646	D269-I544 PolarHBondContact OD2-N 2.87Å; H542-I544 PolarHBondContact O-N 2.72Å; I544-I622 HydrophobicContact CD1-CD1 3.73Å; I544-M646 HydrophobicContact CG2-CE 3.5Å; I544-M646 VanDerWaalsContact CG2-CE 3.5Å; I544-M646 HydrophobicContact CG2-SD 4.12Å
545	G	53.5	Low	74	Confident	56 Å²	56	43.4 Å²	43.4	58%	0.577	23%	0.233	S	C	*	.	S	Bend	trans	-161.1	-165.6	-165.8	0	0	0	0	0	115.1	N543 K547	N543-G545 PolarHBondContact O-N 2.96Å; G545-K547 PolarHBondContact O-N 2.89Å
546	K	61.4	Low	73.8	Confident	151 Å²	151	43.5 Å²	43.5	66%	0.657	23%	0.234	S	C	*	.			trans	-89.5	106.4	-178.7	-176.7	-156.4	168.7	-163.4	0	110.3
547	K	76.4	Confident	73.8	Confident	95 Å²	95	43.3 Å²	43.3	41%	0.413	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-47.7	141.7	171.8	-59.8	-171.4	167.6	-173.3	0	112.5	D538 L539 G545	D538-K547 WeakPolarHBondContact O-CE 3.34Å; D538-K547 WeakPolarHBondContact O-CG 3.22Å; L539-K547 HydrophobicContact CD2-CB 4.43Å; L539-K547 WeakPolarHBondContact O-CE 3.49Å; L539-K547 PolarHBondContact O-NZ 3.4Å; G545-K547 PolarHBondContact O-N 2.89Å
548	M	77.8	Confident	74.1	Confident	3 Å²	3	44 Å²	44	2%	0.015	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-60	137.2	-179.9	-169	175.8	-58.8	0	0	111.2	Y265 L535 D538 Q552 F553 N556 Y575	Y265-M548 HydrophobicContact CD1-CE 3.76Å; Y265-M548 HydrophobicContact CE1-CE 3.42Å; Y265-M548 VanDerWaalsContact CE1-CE 3.42Å; Y265-M548 HydrophobicContact CE1-SD 4.42Å; Y265-M548 HydrophobicContact CE2-CE 4.25Å; Y265-M548 HydrophobicContact CG-CE 4.3Å; L535-M548 HydrophobicContact CD1-SD 4.46Å; D538-M548 VanDerWaalsContact CG-N 3.32Å; D538-M548 PolarHBondContact OD1-N 2.88Å; D538-M548 VanDerWaalsContact OD1-N 3.09Å; D538-M548 VanDerWaalsContact OD2-CB 3.31Å; D538-M548 WeakPolarHBondContact OD2-CB 3.25Å; D538-M548 PolarHBondContact OD2-N 2.88Å; M548-Q552 HydrophobicContact CG-CB 3.72Å; M548-F553 HydrophobicContact CG-CB 4.48Å; M548-F553 HydrophobicContact SD-CB 3.91Å; M548-F553 HydrophobicContact SD-CD2 4.38Å; M548-N556 WeakPolarHBondContact CE-ND2 3.46Å; M548-Y575 PolarHBondContact O-OH 3.35Å
549	S	85.1	Confident	74.3	Confident	44 Å²	44	44.2 Å²	44.2	31%	0.308	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-90.8	158	172	67.5	0	0	0	0	112	Q551 Q552 F553	S549-Q551 PolarHBondContact O-N 3.34Å; S549-Q551 VanDerWaalsContact O-N 3.09Å; S549-Q552 WeakPolarHBondContact O-CA 3.49Å; S549-Q552 WeakPolarHBondContact O-CB 3.3Å; S549-Q552 PolarHBondContact O-N 2.77Å; S549-Q552 WeakPolarHBondContact OG-CG 2.9Å; S549-Q552 PolarHBondContact OG-OE1 3.07Å; S549-F553 PolarHBondContact O-N 2.97Å
550	C	88.8	Confident	74.5	Confident	30 Å²	30	44 Å²	44	20%	0.203	24%	0.243	C	C	.	.	H	α-helix	trans	-52.5	-35.7	179	-169.3	0	0	0	0	113.4	Q552 I554 Y575	C550-Q552 VanDerWaalsContact C-N 3.34Å; C550-I554 WeakPolarHBondContact O-CD1 3.15Å; C550-I554 VanDerWaalsContact O-CG1 3.24Å; C550-I554 WeakPolarHBondContact O-CG1 3.12Å; C550-I554 PolarHBondContact O-N 2.97Å; C550-Y575 HydrophobicContact CB-CD1 3.58Å; C550-Y575 HydrophobicContact CB-CD2 4.24Å; C550-Y575 HydrophobicContact CB-CE1 3.57Å; C550-Y575 HydrophobicContact CB-CE2 4.2Å; C550-Y575 HydrophobicContact CB-CG 3.95Å; C550-Y575 VanDerWaalsContact N-CZ 3.26Å; C550-Y575 PolarHBondContact N-OH 3.47Å
551	Q	85.3	Confident	74.7	Confident	132 Å²	132	42 Å²	42	62%	0.617	23%	0.234	S	C	*	.	H	α-helix	trans	-69.6	-32.8	178.3	-171.6	61.2	26.8	0	0	112.4	S549 S555	S549-Q551 PolarHBondContact O-N 3.34Å; S549-Q551 VanDerWaalsContact O-N 3.09Å; Q551-S555 PolarHBondContact O-N 2.67Å
552	Q	81.8	Confident	75.3	Confident	35 Å²	35	44.8 Å²	44.8	16%	0.164	25%	0.246	C	C	.	.	H	α-helix	trans	-76.7	-39.7	176.9	-64.7	166.4	-67.9	0	0	110.6	T263 M548 S549 C550 I554 S555 N556	T263-Q552 VanDerWaalsContact CG2-NE2 3.29Å; T263-Q552 PolarHBondContact OG1-NE2 3.42Å; M548-Q552 HydrophobicContact CG-CB 3.72Å; S549-Q552 WeakPolarHBondContact O-CA 3.49Å; S549-Q552 WeakPolarHBondContact O-CB 3.3Å; S549-Q552 PolarHBondContact O-N 2.77Å; S549-Q552 WeakPolarHBondContact OG-CG 2.9Å; S549-Q552 PolarHBondContact OG-OE1 3.07Å; C550-Q552 VanDerWaalsContact C-N 3.34Å; Q552-I554 VanDerWaalsContact C-N 3.3Å; Q552-I554 PolarHBondContact O-N 2.89Å; Q552-S555 PolarHBondContact O-N 2.92Å; Q552-N556 WeakPolarHBondContact O-CB 3.36Å; Q552-N556 PolarHBondContact O-N 3.37Å; Q552-N556 PolarHBondContact O-OD1 3.2Å
553	F	86	Confident	76.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.5	-41.7	171.3	178.6	-107.1	0	0	0	112.1	A531 L532 L535 M548 S549 L557 L571 Y575	A531-F553 HydrophobicContact CB-CE2 4.16Å; L532-F553 HydrophobicContact CD2-CZ 4.13Å; L535-F553 HydrophobicContact CB-CD2 4.22Å; L535-F553 HydrophobicContact CB-CE2 3.97Å; L535-F553 HydrophobicContact CD1-CB 4.48Å; L535-F553 HydrophobicContact CD1-CD2 3.88Å; L535-F553 HydrophobicContact CD1-CE2 4.44Å; L535-F553 HydrophobicContact CD1-CG 4.32Å; L535-F553 HydrophobicContact CD2-CD1 4.4Å; L535-F553 HydrophobicContact CD2-CD2 3.86Å; L535-F553 HydrophobicContact CD2-CE1 4.31Å; L535-F553 HydrophobicContact CD2-CE2 3.76Å; L535-F553 HydrophobicContact CD2-CG 4.17Å; L535-F553 HydrophobicContact CD2-CZ 3.99Å; L535-F553 HydrophobicContact CG-CD2 4.19Å; L535-F553 HydrophobicContact CG-CE2 4.26Å; M548-F553 HydrophobicContact CG-CB 4.48Å; M548-F553 HydrophobicContact SD-CB 3.91Å; M548-F553 HydrophobicContact SD-CD2 4.38Å; S549-F553 PolarHBondContact O-N 2.97Å; F553-L557 HydrophobicContact CD1-CD1 4.43Å; F553-L557 HydrophobicContact CD2-CD1 4.32Å; F553-L557 HydrophobicContact CE1-CD1 3.92Å; F553-L557 HydrophobicContact CE2-CD1 3.79Å; F553-L557 HydrophobicContact CZ-CD1 3.57Å; F553-L557 WeakPolarHBondContact O-CG 3.46Å; F553-L571 HydrophobicContact CD1-CB 4.45Å; F553-L571 HydrophobicContact CE1-CB 4.25Å; F553-L571 HydrophobicContact CE1-CD2 4.28Å; F553-Y575 HydrophobicContact CB-CD2 3.71Å; F553-Y575 HydrophobicContact CB-CE2 4.23Å; F553-Y575 HydrophobicContact CD1-CD2 4.04Å; F553-Y575 HydrophobicContact CD1-CG 4.38Å; F553-Y575 AromaticContact CG-CD2 3.92Å; F553-Y575 HydrophobicContact CG-CD2 3.92Å
554	I	87.6	Confident	77.8	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-53.4	172.3	-68.2	161.4	0	0	0	110.5	C550 Q552 N556 L557 D558 K568 L571 K572	C550-I554 WeakPolarHBondContact O-CD1 3.15Å; C550-I554 VanDerWaalsContact O-CG1 3.24Å; C550-I554 WeakPolarHBondContact O-CG1 3.12Å; C550-I554 PolarHBondContact O-N 2.97Å; Q552-I554 VanDerWaalsContact C-N 3.3Å; Q552-I554 PolarHBondContact O-N 2.89Å; I554-N556 VanDerWaalsContact C-N 3.31Å; I554-N556 PolarHBondContact O-N 3.09Å; I554-L557 PolarHBondContact O-N 3.18Å; I554-D558 PolarHBondContact O-N 3.15Å; I554-D558 VanDerWaalsContact O-N 3.16Å; I554-K568 HydrophobicContact CG2-CB 4.45Å; I554-K568 HydrophobicContact CG2-CD 3.88Å; I554-K568 HydrophobicContact CG2-CG 4.04Å; I554-L571 HydrophobicContact CB-CD1 4.3Å; I554-L571 HydrophobicContact CG1-CB 3.89Å; I554-L571 HydrophobicContact CG1-CD1 4.15Å; I554-L571 HydrophobicContact CG2-CD1 4.3Å; I554-K572 HydrophobicContact CD1-CG 3.94Å
555	S	83	Confident	79.7	Confident	36 Å²	36	51.4 Å²	51.4	25%	0.252	29%	0.285	S	S	.	.	H	α-helix	trans	-72.9	-20.3	-173	-157.7	0	0	0	0	115	R260 Q551 Q552 L557 D558	R260-S555 VanDerWaalsContact CZ-O 3.22Å; R260-S555 PolarHBondContact NE-O 3.11Å; R260-S555 PolarHBondContact NH2-O 2.83Å; Q551-S555 PolarHBondContact O-N 2.67Å; Q552-S555 PolarHBondContact O-N 2.92Å; S555-L557 PolarHBondContact O-N 3.19Å; S555-D558 VanDerWaalsContact CA-OD2 3.27Å; S555-D558 WeakPolarHBondContact CA-OD2 3.35Å; S555-D558 PolarHBondContact OG-OD2 3.15Å; S555-D558 VanDerWaalsContact OG-OD2 3.04Å
556	N	81.8	Confident	81.4	Confident	2 Å²	2	49 Å²	49	1%	0.011	26%	0.259	C	S	.	.	H	α-helix	trans	-69.8	-21.3	168.6	-67.8	-0.2	0	0	0	111.9	S256 A257 Y265 M548 Q552 I554 L560	S256-N556 PolarHBondContact OG-O 3.06Å; A257-N556 HydrophobicContact CB-CB 4.21Å; A257-N556 VanDerWaalsContact CB-CG 3.45Å; A257-N556 WeakPolarHBondContact CB-OD1 3.42Å; Y265-N556 HydrophobicContact CE2-CB 4.28Å; M548-N556 WeakPolarHBondContact CE-ND2 3.46Å; Q552-N556 WeakPolarHBondContact O-CB 3.36Å; Q552-N556 PolarHBondContact O-N 3.37Å; Q552-N556 PolarHBondContact O-OD1 3.2Å; I554-N556 VanDerWaalsContact C-N 3.31Å; I554-N556 PolarHBondContact O-N 3.09Å; N556-L560 WeakPolarHBondContact O-CD1 3.36Å
557	L	84.7	Confident	82.8	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-106.6	-4.8	-177.8	-61.5	178.4	0	0	0	114.5	I253 L528 A531 F553 I554 S555 G559 L560 F566 L571	I253-L557 HydrophobicContact CG1-CD2 4.48Å; L528-L557 HydrophobicContact CD2-CD1 4.11Å; A531-L557 HydrophobicContact CB-CD1 4.11Å; A531-L557 HydrophobicContact CB-CD2 3.8Å; F553-L557 HydrophobicContact CD1-CD1 4.43Å; F553-L557 HydrophobicContact CD2-CD1 4.32Å; F553-L557 HydrophobicContact CE1-CD1 3.92Å; F553-L557 HydrophobicContact CE2-CD1 3.79Å; F553-L557 HydrophobicContact CZ-CD1 3.57Å; F553-L557 WeakPolarHBondContact O-CG 3.46Å; I554-L557 PolarHBondContact O-N 3.18Å; S555-L557 PolarHBondContact O-N 3.19Å; L557-G559 PolarHBondContact O-N 3.04Å; L557-L560 HydrophobicContact CD2-CD1 4.16Å; L557-L560 PolarHBondContact O-N 3.4Å; L557-L560 VanDerWaalsContact O-N 3.16Å; L557-F566 HydrophobicContact CB-CD2 4.09Å; L557-F566 HydrophobicContact CB-CE2 4.48Å; L557-L571 HydrophobicContact CB-CD1 3.99Å; L557-L571 HydrophobicContact CD1-CD1 4.18Å; L557-L571 HydrophobicContact CD1-CD2 3.76Å
558	D	82.4	Confident	83.5	Confident	28 Å²	28	44.1 Å²	44.1	15%	0.15	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	129.7	171.7	-65.1	-35.3	0	0	0	109.8	R260 I554 S555 L560 D565 K568	R260-D558 PolarHBondContact NH1-O 3.39Å; R260-D558 PolarHBondContact NH2-O 2.53Å; I554-D558 PolarHBondContact O-N 3.15Å; I554-D558 VanDerWaalsContact O-N 3.16Å; S555-D558 VanDerWaalsContact CA-OD2 3.27Å; S555-D558 WeakPolarHBondContact CA-OD2 3.35Å; S555-D558 PolarHBondContact OG-OD2 3.15Å; S555-D558 VanDerWaalsContact OG-OD2 3.04Å; D558-L560 VanDerWaalsContact C-N 3.35Å; D558-L560 PolarHBondContact O-N 3.2Å; D558-D565 VanDerWaalsContact CA-OD1 3.23Å; D558-D565 WeakPolarHBondContact CA-OD1 3.48Å; D558-D565 WeakPolarHBondContact CB-OD1 3.23Å; D558-K568 WeakPolarHBondContact OD1-CE 3.41Å; D558-K568 IonicContact OD1-NZ 3.87Å; D558-K568 PolarHBondContact OD1-NZ 2.75Å
559	G	80.8	Confident	84.1	Confident	26 Å²	26	49.7 Å²	49.7	27%	0.268	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	-1.5	-177.2	0	0	0	0	0	117.5	L557 D563 N564 D565	L557-G559 PolarHBondContact O-N 3.04Å; G559-D563 WeakPolarHBondContact O-CA 3.23Å; G559-N564 CarbonylContact C-O 3.57Å; G559-N564 VanDerWaalsContact CA-O 3.27Å; G559-N564 WeakPolarHBondContact CA-O 3.47Å; G559-D565 PolarHBondContact N-OD1 3.23Å
560	L	82.4	Confident	84.4	Confident	13 Å²	13	50.1 Å²	50.1	7%	0.068	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-2.6	-173.2	-59	-164.2	0	0	0	115.7	R252 I253 T527 N556 L557 D558 N562 N564 F566	R252-L560 HydrophobicContact CG-CD2 3.69Å; R252-L560 PolarHBondContact NH1-O 2.86Å; I253-L560 HydrophobicContact CB-CD1 4.31Å; I253-L560 HydrophobicContact CG1-CD1 3.71Å; T527-L560 HydrophobicContact CG2-CB 4.03Å; N556-L560 WeakPolarHBondContact O-CD1 3.36Å; L557-L560 HydrophobicContact CD2-CD1 4.16Å; L557-L560 PolarHBondContact O-N 3.4Å; L557-L560 VanDerWaalsContact O-N 3.16Å; D558-L560 VanDerWaalsContact C-N 3.35Å; D558-L560 PolarHBondContact O-N 3.2Å; L560-N562 VanDerWaalsContact C-N 3.34Å; L560-N562 PolarHBondContact O-N 3.31Å; L560-N564 PolarHBondContact N-O 3.47Å; L560-F566 HydrophobicContact CB-CE2 4.1Å
561	N	82.4	Confident	84.6	Confident	21 Å²	21	48.7 Å²	48.7	11%	0.112	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	63.5	177.4	-172.2	35.5	0	0	0	110.7	N564 F566	N561-N564 WeakPolarHBondContact CA-O 3.27Å; N561-N564 VanDerWaalsContact CB-O 3.27Å; N561-N564 WeakPolarHBondContact CB-O 3.44Å; N561-N564 PolarHBondContact N-O 3.34Å; N561-N564 WeakPolarHBondContact O-CB 3.38Å; N561-N564 PolarHBondContact O-N 3.39Å; N561-F566 HydrophobicContact CB-CD1 3.69Å; N561-F566 HydrophobicContact CB-CD2 3.93Å; N561-F566 HydrophobicContact CB-CE1 3.54Å; N561-F566 HydrophobicContact CB-CE2 3.8Å; N561-F566 HydrophobicContact CB-CG 3.89Å; N561-F566 HydrophobicContact CB-CZ 3.61Å; N561-F566 WeakPolarHBondContact OD1-CE1 3.27Å
562	N	77	Confident	85	Confident	69 Å²	69	46 Å²	46	37%	0.369	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	67.8	-172.9	-60	5.2	0	0	0	110.7	S521 D523 L560 N564	S521-N562 PolarHBondContact OG-ND2 2.9Å; D523-N562 PolarHBondContact OD2-ND2 3.04Å; L560-N562 VanDerWaalsContact C-N 3.34Å; L560-N562 PolarHBondContact O-N 3.31Å; N562-N564 PolarHBondContact O-N 3.08Å; N562-N564 VanDerWaalsContact O-N 3.09Å; N562-N564 PolarHBondContact O-ND2 3.28Å
563	D	72.9	Confident	85.6	Confident	154 Å²	154	48.7 Å²	48.7	82%	0.824	26%	0.264	S	S	*	.	S	Bend	trans	59.9	12.1	-176.8	-51.2	-43.2	0	0	0	116	G559	G559-D563 WeakPolarHBondContact O-CA 3.23Å
564	N	78.6	Confident	86	Confident	105 Å²	105	48.7 Å²	48.7	56%	0.561	26%	0.264	S	S	*	.	S	Bend	trans	-118.8	165.2	175.8	-68.3	-100.1	0	0	0	111.5	G559 L560 N561 N562	G559-N564 CarbonylContact C-O 3.57Å; G559-N564 VanDerWaalsContact CA-O 3.27Å; G559-N564 WeakPolarHBondContact CA-O 3.47Å; L560-N564 PolarHBondContact N-O 3.47Å; N561-N564 WeakPolarHBondContact CA-O 3.27Å; N561-N564 VanDerWaalsContact CB-O 3.27Å; N561-N564 WeakPolarHBondContact CB-O 3.44Å; N561-N564 PolarHBondContact N-O 3.34Å; N561-N564 WeakPolarHBondContact O-CB 3.38Å; N561-N564 PolarHBondContact O-N 3.39Å; N562-N564 PolarHBondContact O-N 3.08Å; N562-N564 VanDerWaalsContact O-N 3.09Å; N562-N564 PolarHBondContact O-ND2 3.28Å
565	D	85	Confident	86.4	Confident	75 Å²	75	49.3 Å²	49.3	40%	0.401	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-77.1	148.2	171.7	-86.7	2.3	0	0	0	111.8	D558 G559 K568	D558-D565 VanDerWaalsContact CA-OD1 3.23Å; D558-D565 WeakPolarHBondContact CA-OD1 3.48Å; D558-D565 WeakPolarHBondContact CB-OD1 3.23Å; G559-D565 PolarHBondContact N-OD1 3.23Å; D565-K568 WeakPolarHBondContact OD2-CE 3.41Å; D565-K568 IonicContact OD2-NZ 2.64Å; D565-K568 PolarHBondContact OD2-NZ 3.15Å
566	F	88.3	Confident	86.9	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.018	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-78.4	147.6	161.6	-65.6	-80.7	0	0	0	110.6	T520 T527 L528 L557 L560 N561 K568 L571	T520-F566 HydrophobicContact CG2-CD1 4.49Å; T520-F566 HydrophobicContact CG2-CE1 3.96Å; T527-F566 HydrophobicContact CG2-CE2 4.21Å; T527-F566 HydrophobicContact CG2-CZ 4.13Å; L528-F566 HydrophobicContact CD1-CD1 3.8Å; L528-F566 HydrophobicContact CD1-CE1 3.7Å; L528-F566 HydrophobicContact CD1-CZ 4.47Å; L528-F566 HydrophobicContact CD2-CD1 3.95Å; L528-F566 HydrophobicContact CD2-CD2 4.17Å; L528-F566 HydrophobicContact CD2-CE1 3.92Å; L528-F566 HydrophobicContact CD2-CE2 4.13Å; L528-F566 HydrophobicContact CD2-CG 4.07Å; L528-F566 HydrophobicContact CD2-CZ 4.01Å; L528-F566 HydrophobicContact CG-CD1 3.93Å; L528-F566 HydrophobicContact CG-CE1 3.53Å; L528-F566 HydrophobicContact CG-CE2 4.42Å; L528-F566 HydrophobicContact CG-CZ 3.8Å; L557-F566 HydrophobicContact CB-CD2 4.09Å; L557-F566 HydrophobicContact CB-CE2 4.48Å; L560-F566 HydrophobicContact CB-CE2 4.1Å; N561-F566 HydrophobicContact CB-CD1 3.69Å; N561-F566 HydrophobicContact CB-CD2 3.93Å; N561-F566 HydrophobicContact CB-CE1 3.54Å; N561-F566 HydrophobicContact CB-CE2 3.8Å; N561-F566 HydrophobicContact CB-CG 3.89Å; N561-F566 HydrophobicContact CB-CZ 3.61Å; N561-F566 WeakPolarHBondContact OD1-CE1 3.27Å; F566-K568 PolarHBondContact O-N 3.15Å; F566-K568 VanDerWaalsContact O-N 3.15Å; F566-L571 HydrophobicContact CB-CD1 4.03Å; F566-L571 HydrophobicContact CB-CD2 3.81Å; F566-L571 HydrophobicContact CB-CG 3.93Å; F566-L571 HydrophobicContact CG-CD2 4.25Å
567	P	90.6	Very high	87.6	Confident	60 Å²	60	51.7 Å²	51.7	39%	0.39	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-57.1	120.5	175.7	-25.3	34.5	0	0	0	112.1	E569 L570 L571	P567-E569 PolarHBondContact O-N 2.87Å; P567-E569 VanDerWaalsContact O-N 3.15Å; P567-L570 HydrophobicContact CB-CB 4.14Å; P567-L570 WeakPolarHBondContact O-CA 3.49Å; P567-L570 VanDerWaalsContact O-CB 3.32Å; P567-L570 WeakPolarHBondContact O-CB 3.3Å; P567-L570 PolarHBondContact O-N 3.15Å; P567-L571 PolarHBondContact O-N 3.22Å; P567-L571 VanDerWaalsContact O-N 3.15Å
568	K	90.3	Very high	88	Confident	84 Å²	84	51.7 Å²	51.7	37%	0.365	28%	0.278	S	S	.	.	H	α-helix	trans	-65.3	-25.5	-169.4	-57.1	-169.7	-174.5	-158.1	0	113	I554 D558 D565 F566 K572	I554-K568 HydrophobicContact CG2-CB 4.45Å; I554-K568 HydrophobicContact CG2-CD 3.88Å; I554-K568 HydrophobicContact CG2-CG 4.04Å; D558-K568 WeakPolarHBondContact OD1-CE 3.41Å; D558-K568 IonicContact OD1-NZ 3.87Å; D558-K568 PolarHBondContact OD1-NZ 2.75Å; D565-K568 WeakPolarHBondContact OD2-CE 3.41Å; D565-K568 IonicContact OD2-NZ 2.64Å; D565-K568 PolarHBondContact OD2-NZ 3.15Å; F566-K568 PolarHBondContact O-N 3.15Å; F566-K568 VanDerWaalsContact O-N 3.15Å; K568-K572 VanDerWaalsContact O-CG 3.28Å; K568-K572 WeakPolarHBondContact O-CG 3.45Å; K568-K572 PolarHBondContact O-N 3.41Å; K568-K572 VanDerWaalsContact O-N 3.07Å
569	E	91.6	Very high	88.4	Confident	120 Å²	120	55.5 Å²	55.5	56%	0.561	29%	0.293	S	S	*	.	H	α-helix	trans	-71.6	-34.7	170	-55.1	-43	116.7	0	0	113.5	P567 K572 V573	P567-E569 PolarHBondContact O-N 2.87Å; P567-E569 VanDerWaalsContact O-N 3.15Å; E569-K572 VanDerWaalsContact CD-NZ 3.27Å; E569-K572 PolarHBondContact O-N 3.31Å; E569-K572 IonicContact OE1-NZ 2.7Å; E569-K572 PolarHBondContact OE1-NZ 2.97Å; E569-K572 VanDerWaalsContact OE2-CD 3.24Å; E569-K572 WeakPolarHBondContact OE2-CD 3.15Å; E569-K572 IonicContact OE2-NZ 3.13Å; E569-K572 PolarHBondContact OE2-NZ 3.32Å; E569-V573 WeakPolarHBondContact O-CG2 3.41Å; E569-V573 PolarHBondContact O-N 3.45Å
570	L	91.6	Very high	89	Confident	53 Å²	53	60.4 Å²	60.4	28%	0.277	31%	0.313	S	S	.	.	H	α-helix	trans	-63.3	-46.4	173	175.8	63.1	0	0	0	110.1	L528 P567 K572 V573 L574	L528-L570 HydrophobicContact CD1-CD2 4.39Å; P567-L570 HydrophobicContact CB-CB 4.14Å; P567-L570 WeakPolarHBondContact O-CA 3.49Å; P567-L570 VanDerWaalsContact O-CB 3.32Å; P567-L570 WeakPolarHBondContact O-CB 3.3Å; P567-L570 PolarHBondContact O-N 3.15Å; L570-K572 VanDerWaalsContact C-N 3.34Å; L570-K572 PolarHBondContact O-N 3.47Å; L570-V573 PolarHBondContact O-N 2.71Å; L570-L574 HydrophobicContact CD1-CD1 4.02Å; L570-L574 HydrophobicContact CD1-CG 4.1Å; L570-L574 HydrophobicContact CG-CD1 3.95Å; L570-L574 HydrophobicContact CG-CG 4.42Å; L570-L574 WeakPolarHBondContact O-CG 3.46Å; L570-L574 PolarHBondContact O-N 2.72Å
571	L	92.6	Very high	89.4	Confident	1 Å²	1	64 Å²	64	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-40.1	176.7	-62.5	-170	0	0	0	112.3	L528 F553 I554 L557 F566 P567 Y575	L528-L571 HydrophobicContact CD2-CD2 3.56Å; F553-L571 HydrophobicContact CD1-CB 4.45Å; F553-L571 HydrophobicContact CE1-CB 4.25Å; F553-L571 HydrophobicContact CE1-CD2 4.28Å; I554-L571 HydrophobicContact CB-CD1 4.3Å; I554-L571 HydrophobicContact CG1-CB 3.89Å; I554-L571 HydrophobicContact CG1-CD1 4.15Å; I554-L571 HydrophobicContact CG2-CD1 4.3Å; L557-L571 HydrophobicContact CB-CD1 3.99Å; L557-L571 HydrophobicContact CD1-CD1 4.18Å; L557-L571 HydrophobicContact CD1-CD2 3.76Å; F566-L571 HydrophobicContact CB-CD1 4.03Å; F566-L571 HydrophobicContact CB-CD2 3.81Å; F566-L571 HydrophobicContact CB-CG 3.93Å; F566-L571 HydrophobicContact CG-CD2 4.25Å; P567-L571 PolarHBondContact O-N 3.22Å; P567-L571 VanDerWaalsContact O-N 3.15Å; L571-Y575 VanDerWaalsContact O-CB 3.23Å; L571-Y575 WeakPolarHBondContact O-CB 3.46Å; L571-Y575 PolarHBondContact O-N 3.13Å
572	K	93.9	Very high	89.6	Confident	75 Å²	75	65.3 Å²	65.3	33%	0.326	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-44.3	173.1	-72.6	166.7	-175.8	172	0	112.4	I554 K568 E569 L570 N576	I554-K572 HydrophobicContact CD1-CG 3.94Å; K568-K572 VanDerWaalsContact O-CG 3.28Å; K568-K572 WeakPolarHBondContact O-CG 3.45Å; K568-K572 PolarHBondContact O-N 3.41Å; K568-K572 VanDerWaalsContact O-N 3.07Å; E569-K572 VanDerWaalsContact CD-NZ 3.27Å; E569-K572 PolarHBondContact O-N 3.31Å; E569-K572 IonicContact OE1-NZ 2.7Å; E569-K572 PolarHBondContact OE1-NZ 2.97Å; E569-K572 VanDerWaalsContact OE2-CD 3.24Å; E569-K572 WeakPolarHBondContact OE2-CD 3.15Å; E569-K572 IonicContact OE2-NZ 3.13Å; E569-K572 PolarHBondContact OE2-NZ 3.32Å; L570-K572 VanDerWaalsContact C-N 3.34Å; L570-K572 PolarHBondContact O-N 3.47Å; K572-N576 WeakPolarHBondContact O-CB 3.37Å; K572-N576 PolarHBondContact O-N 3.21Å; K572-N576 PolarHBondContact O-ND2 2.75Å
573	V	94.9	Very high	90	Very high	91 Å²	91	62.1 Å²	62.1	55%	0.552	32%	0.317	S	S	*	.	H	α-helix	trans	-63.7	-47.6	179.2	168.5	0	0	0	0	110.4	E569 L570 N576 S577	E569-V573 WeakPolarHBondContact O-CG2 3.41Å; E569-V573 PolarHBondContact O-N 3.45Å; L570-V573 PolarHBondContact O-N 2.71Å; V573-N576 PolarHBondContact O-N 2.93Å; V573-S577 PolarHBondContact O-N 3.39Å
574	L	94.4	Very high	90.4	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-47.1	178.2	-66.9	173.5	0	0	0	111.8	L480 D481 L528 L532 L570 N576 S577 I578	L480-L574 HydrophobicContact CB-CD2 4.32Å; D481-L574 HydrophobicContact CB-CD2 3.95Å; L528-L574 HydrophobicContact CD1-CD1 4.31Å; L532-L574 HydrophobicContact CD1-CD1 4.44Å; L532-L574 HydrophobicContact CD1-CD2 4.25Å; L532-L574 HydrophobicContact CD2-CB 3.86Å; L570-L574 HydrophobicContact CD1-CD1 4.02Å; L570-L574 HydrophobicContact CD1-CG 4.1Å; L570-L574 HydrophobicContact CG-CD1 3.95Å; L570-L574 HydrophobicContact CG-CG 4.42Å; L570-L574 WeakPolarHBondContact O-CG 3.46Å; L570-L574 PolarHBondContact O-N 2.72Å; L574-N576 VanDerWaalsContact C-N 3.33Å; L574-N576 PolarHBondContact O-N 2.79Å; L574-S577 WeakPolarHBondContact O-CB 3.46Å; L574-S577 PolarHBondContact O-N 3.39Å; L574-S577 VanDerWaalsContact O-N 3.16Å; L574-I578 WeakPolarHBondContact O-CG1 3.35Å; L574-I578 PolarHBondContact O-N 3.32Å
575	Y	94.3	Very high	90.6	Very high	17 Å²	17	54.5 Å²	54.5	7%	0.067	27%	0.272	C	S	.	.	H	α-helix	trans	-56.8	-45.4	176.3	173.7	-82.6	0	0	0	112	L535 L539 M548 C550 F553 L571 I578 K579	L535-Y575 HydrophobicContact CD1-CD2 3.8Å; L535-Y575 HydrophobicContact CD1-CE2 3.86Å; L535-Y575 HydrophobicContact CD2-CD2 3.63Å; L535-Y575 HydrophobicContact CD2-CE2 4.43Å; L535-Y575 HydrophobicContact CD2-CG 4.19Å; L535-Y575 HydrophobicContact CG-CD2 4.34Å; L539-Y575 HydrophobicContact CD1-CD2 4.45Å; L539-Y575 HydrophobicContact CD1-CE2 4.1Å; L539-Y575 HydrophobicContact CD2-CE2 4.31Å; M548-Y575 PolarHBondContact O-OH 3.35Å; C550-Y575 HydrophobicContact CB-CD1 3.58Å; C550-Y575 HydrophobicContact CB-CD2 4.24Å; C550-Y575 HydrophobicContact CB-CE1 3.57Å; C550-Y575 HydrophobicContact CB-CE2 4.2Å; C550-Y575 HydrophobicContact CB-CG 3.95Å; C550-Y575 VanDerWaalsContact N-CZ 3.26Å; C550-Y575 PolarHBondContact N-OH 3.47Å; F553-Y575 HydrophobicContact CB-CD2 3.71Å; F553-Y575 HydrophobicContact CB-CE2 4.23Å; F553-Y575 HydrophobicContact CD1-CD2 4.04Å; F553-Y575 HydrophobicContact CD1-CG 4.38Å; F553-Y575 AromaticContact CG-CD2 3.92Å; F553-Y575 HydrophobicContact CG-CD2 3.92Å; L571-Y575 VanDerWaalsContact O-CB 3.23Å; L571-Y575 WeakPolarHBondContact O-CB 3.46Å; L571-Y575 PolarHBondContact O-N 3.13Å; Y575-I578 PolarHBondContact O-N 3.39Å; Y575-K579 HydrophobicContact CE1-CB 4.43Å; Y575-K579 HydrophobicContact CE1-CD 3.86Å; Y575-K579 VanDerWaalsContact O-CB 3.23Å; Y575-K579 WeakPolarHBondContact O-CB 3.32Å; Y575-K579 PolarHBondContact O-N 3.18Å
576	N	95.4	Very high	90.1	Very high	64 Å²	64	51.6 Å²	51.6	34%	0.342	26%	0.258	S	S	.	.	H	α-helix	trans	-72.1	-29.6	179.2	-73.7	-70.7	0	0	0	112.6	K572 V573 L574 N580	K572-N576 WeakPolarHBondContact O-CB 3.37Å; K572-N576 PolarHBondContact O-N 3.21Å; K572-N576 PolarHBondContact O-ND2 2.75Å; V573-N576 PolarHBondContact O-N 2.93Å; L574-N576 VanDerWaalsContact C-N 3.33Å; L574-N576 PolarHBondContact O-N 2.79Å; N576-N580 VanDerWaalsContact O-CB 3.27Å; N576-N580 WeakPolarHBondContact O-CB 3.41Å; N576-N580 PolarHBondContact O-N 2.81Å; N576-N580 PolarHBondContact O-ND2 2.88Å
577	S	96.4	Very high	88.9	Confident	24 Å²	24	55.1 Å²	55.1	17%	0.168	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-54	170	178.1	0	0	0	0	111.1	D481 R485 V573 L574 K579 N580 E581	D481-S577 VanDerWaalsContact OD2-CB 3.3Å; D481-S577 WeakPolarHBondContact OD2-CB 3.35Å; D481-S577 PolarHBondContact OD2-OG 2.54Å; R485-S577 VanDerWaalsContact NH2-C 3.34Å; R485-S577 PolarHBondContact NH2-O 2.58Å; R485-S577 PolarHBondContact NH2-OG 2.95Å; V573-S577 PolarHBondContact O-N 3.39Å; L574-S577 WeakPolarHBondContact O-CB 3.46Å; L574-S577 PolarHBondContact O-N 3.39Å; L574-S577 VanDerWaalsContact O-N 3.16Å; S577-K579 VanDerWaalsContact C-N 3.32Å; S577-K579 PolarHBondContact O-N 3.1Å; S577-N580 PolarHBondContact O-N 3Å; S577-E581 PolarHBondContact O-N 2.95Å
578	I	92.6	Very high	87.4	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.9	-44.2	178.2	-58.2	-59.1	0	0	0	110.4	L532 L535 N536 L539 H540 L574 Y575 N580 E581 L583	L532-I578 HydrophobicContact CB-CD1 4.26Å; L532-I578 HydrophobicContact CB-CG1 4.39Å; L532-I578 HydrophobicContact CD2-CD1 4.14Å; L532-I578 HydrophobicContact CD2-CG1 3.54Å; L532-I578 HydrophobicContact CG-CG1 4.47Å; L535-I578 HydrophobicContact CD2-CB 4.08Å; L535-I578 HydrophobicContact CD2-CG1 4.32Å; L535-I578 HydrophobicContact CD2-CG2 4.3Å; L535-I578 HydrophobicContact CG-CG2 4.24Å; N536-I578 HydrophobicContact CB-CG2 3.97Å; L539-I578 HydrophobicContact CD1-CG2 4.34Å; H540-I578 PolarHBondContact NE2-O 3.23Å; L574-I578 WeakPolarHBondContact O-CG1 3.35Å; L574-I578 PolarHBondContact O-N 3.32Å; Y575-I578 PolarHBondContact O-N 3.39Å; I578-N580 VanDerWaalsContact C-N 3.32Å; I578-N580 PolarHBondContact O-N 2.83Å; I578-E581 CarbonylContact O-C 3.49Å; I578-L583 HydrophobicContact CD1-CD1 4.19Å; I578-L583 HydrophobicContact CD1-CD2 3.72Å; I578-L583 HydrophobicContact CD1-CG 3.87Å
579	K	91.2	Very high	85.5	Confident	108 Å²	108	55.2 Å²	55.2	47%	0.47	27%	0.273	S	S	.	.	H	α-helix	trans	-58.9	-38.7	178.3	-174.6	-177.1	167.8	-163.8	0	113.6	L539 H540 Y575 S577	L539-K579 HydrophobicContact CD1-CB 3.78Å; L539-K579 HydrophobicContact CD1-CG 4.33Å; H540-K579 PolarHBondContact CE1-O 3.47Å; Y575-K579 HydrophobicContact CE1-CB 4.43Å; Y575-K579 HydrophobicContact CE1-CD 3.86Å; Y575-K579 VanDerWaalsContact O-CB 3.23Å; Y575-K579 WeakPolarHBondContact O-CB 3.32Å; Y575-K579 PolarHBondContact O-N 3.18Å; S577-K579 VanDerWaalsContact C-N 3.32Å; S577-K579 PolarHBondContact O-N 3.1Å
580	N	93.2	Very high	83.5	Confident	129 Å²	129	55.6 Å²	55.6	69%	0.69	28%	0.275	S	S	*	.	H	α-helix	trans	-87.6	-30.6	-174.4	-66.4	-15.1	0	0	0	113	N576 S577 I578	N576-N580 VanDerWaalsContact O-CB 3.27Å; N576-N580 WeakPolarHBondContact O-CB 3.41Å; N576-N580 PolarHBondContact O-N 2.81Å; N576-N580 PolarHBondContact O-ND2 2.88Å; S577-N580 PolarHBondContact O-N 3Å; I578-N580 VanDerWaalsContact C-N 3.32Å; I578-N580 PolarHBondContact O-N 2.83Å
581	E	90.4	Very high	81.7	Confident	89 Å²	89	56.2 Å²	56.2	42%	0.416	28%	0.276	S	S	.	.	S	Bend	trans	-135	116	177.1	-172.5	-161.1	148.8	0	0	108	R485 K489 S577 I578	R485-E581 WeakPolarHBondContact CD-OE1 3.31Å; R485-E581 IonicContact CZ-OE1 3.57Å; R485-E581 IonicContact CZ-OE2 2.85Å; R485-E581 IonicContact NE-OE1 3.8Å; R485-E581 IonicContact NE-OE2 3.45Å; R485-E581 VanDerWaalsContact NH1-CG 3.28Å; R485-E581 PolarHBondContact NH1-O 2.96Å; R485-E581 IonicContact NH1-OE1 3.1Å; R485-E581 PolarHBondContact NH1-OE1 3.39Å; R485-E581 IonicContact NH1-OE2 3.69Å; R485-E581 PolarHBondContact NH2-O 3.36Å; K489-E581 IonicContact NZ-OE1 3.45Å; S577-E581 PolarHBondContact O-N 2.95Å; I578-E581 CarbonylContact O-C 3.49Å
582	K	87.3	Confident	79.6	Confident	48 Å²	48	58.1 Å²	58.1	21%	0.209	29%	0.286	C	S	.	.			trans	-64.3	153.6	175.3	65.2	-169.9	168.9	72.6	0	112	S282 R485 N536 H540 E584	S282-K582 WeakPolarHBondContact O-CE 3.27Å; S282-K582 PolarHBondContact O-NZ 2.95Å; S282-K582 PolarHBondContact OG-NZ 3.39Å; R485-K582 PolarHBondContact NH1-O 2.92Å; N536-K582 WeakPolarHBondContact OD1-CA 3.4Å; H540-K582 HydrophobicContact CB-CB 4.24Å; H540-K582 VanDerWaalsContact CD2-CB 3.46Å; H540-K582 WeakPolarHBondContact CD2-CB 3.22Å; K582-E584 HydrophobicContact CG-CG 4.21Å; K582-E584 IonicContact NZ-OE1 3.4Å; K582-E584 PolarHBondContact NZ-OE1 2.88Å
583	L	85.8	Confident	77.5	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.016	29%	0.294	C	S	.	.			trans	-69.4	139.3	167.3	-60.6	178.4	0	0	0	109.1	L484 R485 L488 M533 N536 I578	L484-L583 HydrophobicContact CD2-CD1 3.87Å; L484-L583 HydrophobicContact CD2-CD2 4.28Å; L484-L583 HydrophobicContact CG-CD2 4.41Å; R485-L583 HydrophobicContact CG-CD2 3.83Å; L488-L583 HydrophobicContact CD1-CB 4.23Å; L488-L583 HydrophobicContact CD1-CD1 4.33Å; M533-L583 HydrophobicContact SD-CD1 3.61Å; N536-L583 HydrophobicContact CB-CB 4.4Å; N536-L583 HydrophobicContact CB-CD1 3.92Å; N536-L583 HydrophobicContact CB-CG 4.11Å; N536-L583 PolarHBondContact OD1-N 2.71Å; I578-L583 HydrophobicContact CD1-CD1 4.19Å; I578-L583 HydrophobicContact CD1-CD2 3.72Å; I578-L583 HydrophobicContact CD1-CG 3.87Å
584	E	80.9	Confident	75.2	Confident	71 Å²	71	63.5 Å²	63.5	33%	0.332	30%	0.299	S	S	.	.			trans	-132.3	131.7	176.4	-62.5	-177.7	146.7	0	0	107.8	S282 L488 K582	S282-E584 PolarHBondContact OG-OE1 3.24Å; S282-E584 VanDerWaalsContact OG-OE1 3.04Å; L488-E584 WeakPolarHBondContact CB-O 3.34Å; K582-E584 HydrophobicContact CG-CG 4.21Å; K582-E584 IonicContact NZ-OE1 3.4Å; K582-E584 PolarHBondContact NZ-OE1 2.88Å
585	W	82.4	Confident	72.9	Confident	28 Å²	28	66.3 Å²	66.3	11%	0.106	32%	0.318	C	S	.	.			trans	-113	163.5	172	46	89.5	0	0	0	111.7	L488 L493 M533 I587	L488-W585 HydrophobicContact CB-CB 3.94Å; L488-W585 HydrophobicContact CD1-CE3 4.39Å; L488-W585 HydrophobicContact CD2-CB 4.2Å; L488-W585 CarbonylContact O-C 3.51Å; L488-W585 WeakPolarHBondContact O-CA 3.46Å; L493-W585 HydrophobicContact CB-CB 4.41Å; L493-W585 HydrophobicContact CB-CD2 4.33Å; L493-W585 HydrophobicContact CB-CG 4.14Å; M533-W585 HydrophobicContact CE-CE3 4.43Å; M533-W585 HydrophobicContact CE-CH2 4.43Å; M533-W585 HydrophobicContact CE-CZ3 3.85Å; W585-I587 PolarHBondContact O-N 3.35Å
586	A	74.8	Confident	70.3	Confident	13 Å²	13	67.6 Å²	67.6	11%	0.107	33%	0.326	C	S	.	.			trans	-59.3	135.7	170.9	0	0	0	0	0	110.6	L488 P492	L488-A586 PolarHBondContact O-N 3.14Å; P492-A586 VanDerWaalsContact CA-O 3.25Å; P492-A586 WeakPolarHBondContact CA-O 3.24Å; P492-A586 HydrophobicContact CB-CB 4.38Å; P492-A586 WeakPolarHBondContact CB-O 3.28Å
587	I	62.3	Low	67.9	Low	79 Å²	79	66.9 Å²	66.9	41%	0.405	33%	0.326	S	S	.	.			trans	-125.1	139.4	176	-64	147.5	0	0	0	106.7	V284 W585 L592	V284-I587 HydrophobicContact CB-CD1 4.04Å; V284-I587 HydrophobicContact CG2-CD1 3.49Å; V284-I587 VanDerWaalsContact CG2-CD1 3.49Å; W585-I587 PolarHBondContact O-N 3.35Å; I587-L592 HydrophobicContact CG2-CD2 4.21Å
588	E	59.7	Low	65.4	Low	27 Å²	27	73.2 Å²	73.2	13%	0.126	35%	0.353	C	S	.	.			trans	-111.5	104.9	174.9	-154.6	168.1	134.4	0	0	109.4	K447 R448 E590 E591 L592	K447-E588 WeakPolarHBondContact CB-OE1 3.23Å; K447-E588 WeakPolarHBondContact CD-OE1 3.47Å; K447-E588 VanDerWaalsContact CG-OE1 3.25Å; K447-E588 WeakPolarHBondContact CG-OE1 3.45Å; K447-E588 IonicContact NZ-OE1 3.59Å; K447-E588 PolarHBondContact NZ-OE1 3.42Å; R448-E588 PolarHBondContact N-OE2 3.21Å; E588-E590 PolarHBondContact O-N 3.1Å; E588-E591 PolarHBondContact O-N 3.37Å; E588-L592 PolarHBondContact O-N 3.39Å
589	E	49.8	Very low	63	Low	118 Å²	118	78 Å²	78	55%	0.551	38%	0.378	S	S	*	.	H	α-helix	trans	-48.5	-36.8	-172	-117.5	178.5	100.4	0	0	114	R593	E589-R593 WeakPolarHBondContact O-CB 3.35Å; E589-R593 WeakPolarHBondContact O-CG 3.31Å; E589-R593 PolarHBondContact O-N 3.18Å; E589-R593 IonicContact OE1-CZ 3.64Å; E589-R593 IonicContact OE1-NH1 2.74Å; E589-R593 PolarHBondContact OE1-NH1 3.32Å; E589-R593 IonicContact OE1-NH2 2.61Å; E589-R593 PolarHBondContact OE1-NH2 3.41Å
590	E	49.5	Very low	60.5	Low	129 Å²	129	77.6 Å²	77.6	60%	0.603	39%	0.385	S	S	*	.	H	α-helix	trans	-64.2	-39	-178.9	-128	77.9	-118.1	0	0	113.4	E588 K594	E588-E590 PolarHBondContact O-N 3.1Å; E590-K594 WeakPolarHBondContact O-CB 3.44Å; E590-K594 PolarHBondContact O-N 3.05Å
591	E	53.9	Low	57.6	Low	65 Å²	65	78.2 Å²	78.2	30%	0.304	38%	0.383	S	S	.	.	H	α-helix	trans	-84.7	-33.9	-175.9	-158.8	160	177.1	0	0	110.5	C449 R453 M494 E588 K594 S595	C449-E591 WeakPolarHBondContact CB-OE2 3.27Å; C449-E591 PolarHBondContact SG-OE2 2.96Å; R453-E591 IonicContact NH2-OE1 3.75Å; R453-E591 PolarHBondContact NH2-OE1 3.3Å; R453-E591 IonicContact NH2-OE2 2.71Å; R453-E591 PolarHBondContact NH2-OE2 2.85Å; M494-E591 HydrophobicContact CE-CB 4.44Å; M494-E591 HydrophobicContact CE-CG 4.2Å; E588-E591 PolarHBondContact O-N 3.37Å; E591-K594 PolarHBondContact O-N 2.94Å; E591-S595 PolarHBondContact O-N 3.26Å; E591-S595 PolarHBondContact O-OG 2.93Å
592	L	48.3	Very low	55.1	Low	42 Å²	42	79 Å²	79	22%	0.22	39%	0.39	C	S	.	.	H	α-helix	trans	-60.4	-45.4	168.3	177.7	63.9	0	0	0	111.8	I587 E588 K594 S595 L596	I587-L592 HydrophobicContact CG2-CD2 4.21Å; E588-L592 PolarHBondContact O-N 3.39Å; L592-K594 VanDerWaalsContact C-N 3.27Å; L592-K594 PolarHBondContact O-N 2.82Å; L592-S595 PolarHBondContact O-OG 2.9Å; L592-L596 HydrophobicContact CD1-CD1 4.06Å; L592-L596 HydrophobicContact CD1-CG 4.42Å; L592-L596 HydrophobicContact CG-CD1 4.08Å; L592-L596 WeakPolarHBondContact O-CB 3.49Å; L592-L596 VanDerWaalsContact O-CG 3.29Å; L592-L596 WeakPolarHBondContact O-CG 3.43Å; L592-L596 PolarHBondContact O-N 3.43Å; L592-L596 VanDerWaalsContact O-N 3.1Å
593	R	49.1	Very low	53	Low	131 Å²	131	81.9 Å²	81.9	49%	0.494	40%	0.404	S	S	.	.	H	α-helix	trans	-60.7	-38.6	173.3	-79.6	-173.1	-178.8	100.7	14.8	111.7	E589 L596 S597	E589-R593 WeakPolarHBondContact O-CB 3.35Å; E589-R593 WeakPolarHBondContact O-CG 3.31Å; E589-R593 PolarHBondContact O-N 3.18Å; E589-R593 IonicContact OE1-CZ 3.64Å; E589-R593 IonicContact OE1-NH1 2.74Å; E589-R593 PolarHBondContact OE1-NH1 3.32Å; E589-R593 IonicContact OE1-NH2 2.61Å; E589-R593 PolarHBondContact OE1-NH2 3.41Å; R593-L596 PolarHBondContact O-N 2.96Å; R593-S597 WeakPolarHBondContact O-CB 3.25Å; R593-S597 PolarHBondContact O-N 3.15Å
594	K	47.8	Very low	50.5	Low	148 Å²	148	86.9 Å²	86.9	64%	0.643	44%	0.438	S	S	*	.	H	α-helix	trans	-68.2	-44.3	-177.8	-157.4	175.1	-176.4	-171.5	0	112.7	E590 E591 L592 L596 S597 E598	E590-K594 WeakPolarHBondContact O-CB 3.44Å; E590-K594 PolarHBondContact O-N 3.05Å; E591-K594 PolarHBondContact O-N 2.94Å; L592-K594 VanDerWaalsContact C-N 3.27Å; L592-K594 PolarHBondContact O-N 2.82Å; K594-L596 VanDerWaalsContact C-N 3.33Å; K594-L596 PolarHBondContact O-N 3.46Å; K594-S597 PolarHBondContact O-N 2.94Å; K594-E598 WeakPolarHBondContact O-CB 3.33Å; K594-E598 PolarHBondContact O-N 2.86Å
595	S	45.4	Very low	48.1	Very low	60 Å²	60	93.6 Å²	93.6	42%	0.42	47%	0.47	S	S	.	.	H	α-helix	trans	-67.4	-32.6	175.5	59.2	0	0	0	0	112.8	E591 L592 L599	E591-S595 PolarHBondContact O-N 3.26Å; E591-S595 PolarHBondContact O-OG 2.93Å; L592-S595 PolarHBondContact O-OG 2.9Å; S595-L599 PolarHBondContact O-N 3.15Å
596	L	40.6	Very low	45.8	Very low	44 Å²	44	95.8 Å²	95.8	23%	0.23	50%	0.501	C	S	.	.	H	α-helix	trans	-71.7	-39.6	172.8	-70.5	171.3	0	0	0	112.4	S275 L592 R593 K594 L599 V600	S275-L596 VanDerWaalsContact O-CD2 3.3Å; S275-L596 WeakPolarHBondContact O-CD2 3.23Å; L592-L596 HydrophobicContact CD1-CD1 4.06Å; L592-L596 HydrophobicContact CD1-CG 4.42Å; L592-L596 HydrophobicContact CG-CD1 4.08Å; L592-L596 WeakPolarHBondContact O-CB 3.49Å; L592-L596 VanDerWaalsContact O-CG 3.29Å; L592-L596 WeakPolarHBondContact O-CG 3.43Å; L592-L596 PolarHBondContact O-N 3.43Å; L592-L596 VanDerWaalsContact O-N 3.1Å; R593-L596 PolarHBondContact O-N 2.96Å; K594-L596 VanDerWaalsContact C-N 3.33Å; K594-L596 PolarHBondContact O-N 3.46Å; L596-L599 PolarHBondContact O-N 3.16Å; L596-V600 WeakPolarHBondContact O-CB 3.4Å; L596-V600 VanDerWaalsContact O-CG2 3.24Å; L596-V600 WeakPolarHBondContact O-CG2 3.24Å; L596-V600 PolarHBondContact O-N 3.45Å
597	S	44.9	Very low	43.9	Very low	49 Å²	49	98.7 Å²	98.7	34%	0.343	53%	0.532	S	S	.	.	H	α-helix	trans	-59.1	-50	174.5	-114	0	0	0	0	111.5	R593 K594 L599 V600 E601	R593-S597 WeakPolarHBondContact O-CB 3.25Å; R593-S597 PolarHBondContact O-N 3.15Å; K594-S597 PolarHBondContact O-N 2.94Å; S597-L599 PolarHBondContact O-N 2.95Å; S597-L599 VanDerWaalsContact O-N 3.13Å; S597-V600 PolarHBondContact O-N 2.93Å; S597-E601 WeakPolarHBondContact CB-OE1 3.48Å; S597-E601 WeakPolarHBondContact O-CB 3.39Å; S597-E601 WeakPolarHBondContact O-CG 3.48Å; S597-E601 PolarHBondContact O-N 3.46Å; S597-E601 PolarHBondContact OG-OE1 3.34Å
598	E	44.4	Very low	42.7	Very low	157 Å²	157	101.3 Å²	101.3	73%	0.734	56%	0.557	S	S	*	*	H	α-helix	trans	-62.4	-21.8	-178.8	-164.4	161.4	-148.4	0	0	112.7	K594	K594-E598 WeakPolarHBondContact O-CB 3.33Å; K594-E598 PolarHBondContact O-N 2.86Å
599	L	41.2	Very low	41.7	Very low	101 Å²	101	109 Å²	109	53%	0.529	59%	0.59	S	S	.	*	H	α-helix	trans	-90.6	-15.7	174.4	-148.8	76.8	0	0	0	114.2	S595 L596 S597 F621	S595-L599 PolarHBondContact O-N 3.15Å; L596-L599 PolarHBondContact O-N 3.16Å; S597-L599 PolarHBondContact O-N 2.95Å; S597-L599 VanDerWaalsContact O-N 3.13Å; L599-F621 HydrophobicContact CD2-CE1 4.35Å
600	V	39	Very low	41.2	Very low	99 Å²	99	114.9 Å²	114.9	60%	0.6	61%	0.608	S	S	*	*	H	α-helix	trans	-109.4	-34.7	-172.5	168.9	0	0	0	0	113	L596 S597 D602 Q603	L596-V600 WeakPolarHBondContact O-CB 3.4Å; L596-V600 VanDerWaalsContact O-CG2 3.24Å; L596-V600 WeakPolarHBondContact O-CG2 3.24Å; L596-V600 PolarHBondContact O-N 3.45Å; S597-V600 PolarHBondContact O-N 2.93Å; V600-D602 PolarHBondContact O-N 3.33Å; V600-D602 VanDerWaalsContact O-N 3.13Å; V600-Q603 PolarHBondContact O-N 3.44Å
601	E	33.1	Very low	41	Very low	142 Å²	142	112.6 Å²	112.6	66%	0.664	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-61	-23.6	-177.8	-75.2	168.1	-161.1	0	0	112.7	S597 Q603	S597-E601 WeakPolarHBondContact CB-OE1 3.48Å; S597-E601 WeakPolarHBondContact O-CB 3.39Å; S597-E601 WeakPolarHBondContact O-CG 3.48Å; S597-E601 PolarHBondContact O-N 3.46Å; S597-E601 PolarHBondContact OG-OE1 3.34Å; E601-Q603 VanDerWaalsContact C-N 3.28Å; E601-Q603 PolarHBondContact O-N 2.94Å
602	D	37.3	Very low	40.6	Very low	104 Å²	104	111.6 Å²	111.6	56%	0.556	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-73.3	-6.4	-176.5	-143.7	24.8	0	0	0	114.9	V600 R772	V600-D602 PolarHBondContact O-N 3.33Å; V600-D602 VanDerWaalsContact O-N 3.13Å; D602-R772 IonicContact OD2-CZ 2.7Å; D602-R772 IonicContact OD2-NH1 3.34Å; D602-R772 PolarHBondContact OD2-NH1 3.2Å; D602-R772 IonicContact OD2-NH2 3.47Å; D602-R772 PolarHBondContact OD2-NH2 2.92Å
603	Q	43.2	Very low	40.9	Very low	109 Å²	109	115.3 Å²	115.3	51%	0.509	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-143.9	20.5	-174.3	-74.3	-167.9	109.7	0	0	116.9	V600 E601	V600-Q603 PolarHBondContact O-N 3.44Å; E601-Q603 VanDerWaalsContact C-N 3.28Å; E601-Q603 PolarHBondContact O-N 2.94Å
604	C	32.4	Very low	40.9	Very low	108 Å²	108	109.3 Å²	109.3	73%	0.73	60%	0.595	S	S	*	*			trans	-152	92	172.5	-97	0	0	0	0	114.9	G606	C604-G606 PolarHBondContact O-N 3.4Å
605	E	31.3	Very low	40.8	Very low	213 Å²	213	106.1 Å²	106.1	100%	0.995	59%	0.588	S	S	*	*			trans	-74.1	108.3	152.9	-77.7	-158.2	138.2	0	0	110
606	G	33.8	Very low	40.4	Very low	73 Å²	73	108.4 Å²	108.4	75%	0.753	60%	0.595	S	S	*	*	S	Bend	trans	120.6	113.2	156.5	0	0	0	0	0	117.7	C604	C604-G606 PolarHBondContact O-N 3.4Å
607	G	34	Very low	40.5	Very low	75 Å²	75	108.4 Å²	108.4	77%	0.773	61%	0.606	S	S	*	*			trans	92.5	101.7	151.2	0	0	0	0	0	116.6	K609	G607-K609 PolarHBondContact O-N 3.49Å
608	S	37.4	Very low	40.3	Very low	133 Å²	133	111.2 Å²	111.2	93%	0.93	62%	0.621	S	S	*	*			trans	-69	99.2	174.5	-173.2	0	0	0	0	112.5
609	K	39.8	Very low	40.2	Very low	188 Å²	188	104.4 Å²	104.4	82%	0.817	59%	0.59	S	S	*	*			trans	-139.9	136.2	161.5	-69.4	-174.5	179.6	178.2	0	108.2	G607 V611	G607-K609 PolarHBondContact O-N 3.49Å; K609-V611 PolarHBondContact O-N 2.91Å; K609-V611 VanDerWaalsContact O-N 3.16Å
610	R	39.2	Very low	40.4	Very low	242 Å²	242	101.6 Å²	101.6	91%	0.913	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-62.1	119.1	-178.5	-71.3	-159.3	-69.6	-161.3	-1.3	110.6	A612	R610-A612 PolarHBondContact O-N 3.3Å
611	V	45.2	Very low	40.5	Very low	82 Å²	82	99.5 Å²	99.5	50%	0.497	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-73.2	119.4	-179	-176.3	0	0	0	0	109.5	K609 P625	K609-V611 PolarHBondContact O-N 2.91Å; K609-V611 VanDerWaalsContact O-N 3.16Å; V611-P625 HydrophobicContact CG1-CB 3.74Å
612	A	45.1	Very low	41.2	Very low	44 Å²	44	93.9 Å²	93.9	36%	0.364	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-61.5	148.9	170.7	0	0	0	0	0	110.1	R610 V626 L688	R610-A612 PolarHBondContact O-N 3.3Å; A612-V626 HydrophobicContact CB-CB 4.1Å; A612-V626 HydrophobicContact CB-CG2 4.11Å; A612-V626 WeakPolarHBondContact O-CB 3.35Å; A612-V626 WeakPolarHBondContact O-CG2 3.13Å; A612-V626 PolarHBondContact O-N 2.95Å; A612-L688 HydrophobicContact CB-CD1 4.44Å
613	R	53.8	Low	41.6	Very low	119 Å²	119	89.3 Å²	89.3	45%	0.449	51%	0.511	S	S	.	.	B	Isolated β-bridge	trans	-116.4	138.2	178.9	-66.5	177.2	179.2	141.4	-0.7	109	T615 A623	R613-T615 HydrophobicContact CB-CG2 4.32Å; R613-T615 PolarHBondContact O-N 3.47Å; R613-A623 HydrophobicContact CB-CB 4.33Å
614	V	50.4	Low	42.1	Very low	6 Å²	6	84.6 Å²	84.6	4%	0.036	49%	0.489	C	S	.	.			trans	-76.2	93.7	171	-178.6	0	0	0	0	108.4	V626 I669 Y671 L688 A691 R693	V614-V626 HydrophobicContact CG2-CG2 3.76Å; V614-I669 HydrophobicContact CG2-CD1 3.69Å; V614-I669 HydrophobicContact CG2-CG1 4.27Å; V614-I669 HydrophobicContact CG2-CG2 4.15Å; V614-Y671 HydrophobicContact CG2-CE1 4.49Å; V614-L688 HydrophobicContact CG2-CD2 4.04Å; V614-A691 HydrophobicContact CG1-CB 3.95Å; V614-R693 HydrophobicContact CG1-CG 4.46Å
615	T	45.2	Very low	43.1	Very low	81 Å²	81	82.7 Å²	82.7	50%	0.497	48%	0.476	S	S	.	.			trans	-86.4	130.3	-173.1	53.6	0	0	0	0	113.2	R613	R613-T615 HydrophobicContact CB-CG2 4.32Å; R613-T615 PolarHBondContact O-N 3.47Å
616	D	37.8	Very low	44.4	Very low	107 Å²	107	72.9 Å²	72.9	57%	0.572	43%	0.431	S	S	*	.	S	Bend	trans	-141.9	29.1	148.7	-153	39.6	0	0	0	110.2	R720	D616-R720 IonicContact OD2-CZ 3.21Å; D616-R720 IonicContact OD2-NH1 2.65Å; D616-R720 PolarHBondContact OD2-NH1 2.69Å; D616-R720 IonicContact OD2-NH2 3.73Å; D616-R720 PolarHBondContact OD2-NH2 2.88Å
617	G	41.5	Very low	45.6	Very low	45 Å²	45	75.1 Å²	75.1	46%	0.464	42%	0.421	S	S	.	.	S	Bend	trans	167.8	152.9	-175.6	0	0	0	0	0	111.5	N619	G617-N619 VanDerWaalsContact C-N 3.27Å; G617-N619 PolarHBondContact O-N 3.05Å
618	T	40.8	Very low	46.4	Very low	107 Å²	107	76 Å²	76	66%	0.656	41%	0.408	S	S	*	.	S	Bend	trans	-82.4	14.8	-169.3	-18.7	0	0	0	0	115.2	H542 P620	H542-T618 WeakPolarHBondContact NE2-CB 3.33Å; H542-T618 PolarHBondContact NE2-OG1 3.42Å; T618-P620 WeakPolarHBondContact O-CD 3.47Å
619	N	43.3	Very low	47.3	Very low	14 Å²	14	77.4 Å²	77.4	8%	0.075	41%	0.405	C	S	.	.			trans	-102.2	109	-170.9	174.5	-30.8	0	0	0	111.5	D272 L276 G617 F621 I622 A623	D272-N619 PolarHBondContact OD1-ND2 2.78Å; D272-N619 PolarHBondContact OD2-ND2 2.84Å; L276-N619 HydrophobicContact CD1-CB 4.33Å; L276-N619 VanDerWaalsContact CD1-OD1 3.23Å; L276-N619 WeakPolarHBondContact CD1-OD1 3.42Å; G617-N619 VanDerWaalsContact C-N 3.27Å; G617-N619 PolarHBondContact O-N 3.05Å; N619-F621 PolarHBondContact O-N 2.93Å; N619-F621 WeakPolarHBondContact OD1-CA 3.15Å; N619-F621 WeakPolarHBondContact OD1-CB 3.43Å; N619-F621 PolarHBondContact OD1-N 2.74Å; N619-I622 HydrophobicContact CB-CB 4.48Å; N619-I622 HydrophobicContact CB-CG1 4.5Å; N619-I622 WeakPolarHBondContact ND2-CD1 3.37Å; N619-I622 CarbonylContact O-C 2.99Å; N619-I622 PolarHBondContact O-N 3.23Å; N619-I622 PolarHBondContact OD1-N 2.79Å; N619-A623 WeakPolarHBondContact O-CB 3.25Å; N619-A623 PolarHBondContact O-N 3.16Å
620	P	44.7	Very low	48.7	Very low	43 Å²	43	69.4 Å²	69.4	28%	0.279	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.7	173.5	-14.8	15.1	0	0	0	118.6	L276 T618 I622	L276-P620 HydrophobicContact CB-CG 4.38Å; L276-P620 HydrophobicContact CD2-CB 3.63Å; L276-P620 HydrophobicContact CD2-CG 3.7Å; L276-P620 HydrophobicContact CG-CG 4.49Å; T618-P620 WeakPolarHBondContact O-CD 3.47Å; P620-I622 VanDerWaalsContact C-N 3.32Å
621	F	40.4	Very low	50.8	Low	55 Å²	55	62 Å²	62	24%	0.241	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-30.3	168.3	-70.9	-46.1	0	0	0	112.1	L276 L599 N619 S768	L276-F621 HydrophobicContact CD1-CB 4.4Å; L276-F621 HydrophobicContact CD1-CD2 3.61Å; L276-F621 HydrophobicContact CD1-CE2 4.2Å; L276-F621 HydrophobicContact CD1-CG 4.12Å; L276-F621 HydrophobicContact CD2-CD1 4.24Å; L276-F621 HydrophobicContact CD2-CD2 3.96Å; L276-F621 HydrophobicContact CD2-CE1 4.48Å; L276-F621 HydrophobicContact CD2-CE2 4.22Å; L276-F621 HydrophobicContact CD2-CG 3.97Å; L276-F621 HydrophobicContact CD2-CZ 4.49Å; L276-F621 HydrophobicContact CG-CD2 3.94Å; L276-F621 HydrophobicContact CG-CE2 4.1Å; L276-F621 HydrophobicContact CG-CG 4.43Å; L599-F621 HydrophobicContact CD2-CE1 4.35Å; N619-F621 PolarHBondContact O-N 2.93Å; N619-F621 WeakPolarHBondContact OD1-CA 3.15Å; N619-F621 WeakPolarHBondContact OD1-CB 3.43Å; N619-F621 PolarHBondContact OD1-N 2.74Å; F621-S768 WeakPolarHBondContact O-CB 3.29Å; F621-S768 PolarHBondContact O-N 2.75Å; F621-S768 PolarHBondContact O-OG 3.23Å
622	I	47.9	Very low	52.9	Low	23 Å²	23	60.9 Å²	60.9	12%	0.118	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-5.2	178.2	-45.3	176.4	0	0	0	111.4	I544 N619 P620 R693 S768	I544-I622 HydrophobicContact CD1-CD1 3.73Å; N619-I622 HydrophobicContact CB-CB 4.48Å; N619-I622 HydrophobicContact CB-CG1 4.5Å; N619-I622 WeakPolarHBondContact ND2-CD1 3.37Å; N619-I622 CarbonylContact O-C 2.99Å; N619-I622 PolarHBondContact O-N 3.23Å; N619-I622 PolarHBondContact OD1-N 2.79Å; P620-I622 VanDerWaalsContact C-N 3.32Å; I622-R693 WeakPolarHBondContact O-CD 3.35Å; I622-R693 PolarHBondContact O-NH1 3.36Å; I622-S768 VanDerWaalsContact CA-OG 3.27Å; I622-S768 WeakPolarHBondContact CA-OG 3.46Å; I622-S768 WeakPolarHBondContact O-CB 3.46Å; I622-S768 PolarHBondContact O-OG 2.89Å
623	A	45.4	Very low	55.1	Low	8 Å²	8	60.4 Å²	60.4	7%	0.066	34%	0.338	C	S	.	.	S	Bend	trans	-95.4	109.7	173.7	0	0	0	0	0	111.6	R613 N619 P625 S768	R613-A623 HydrophobicContact CB-CB 4.33Å; N619-A623 WeakPolarHBondContact O-CB 3.25Å; N619-A623 PolarHBondContact O-N 3.16Å; A623-P625 WeakPolarHBondContact O-CD 3.22Å; A623-S768 PolarHBondContact N-OG 3.34Å
624	I	53.7	Low	56.9	Low	10 Å²	10	56.1 Å²	56.1	5%	0.051	32%	0.322	C	S	.	.			trans	-64.6	126	170.6	-51	176.8	0	0	0	108.5	V626 M668 I669 R693	I624-V626 PolarHBondContact O-N 2.71Å; I624-M668 HydrophobicContact CD1-CB 3.91Å; I624-M668 WeakPolarHBondContact CD1-O 3.16Å; I624-I669 HydrophobicContact CB-CD1 4.03Å; I624-I669 HydrophobicContact CB-CG1 4.18Å; I624-I669 HydrophobicContact CD1-CG1 3.82Å; I624-I669 HydrophobicContact CG2-CD1 3.73Å; I624-I669 HydrophobicContact CG2-CG1 4.03Å; I624-R693 HydrophobicContact CD1-CB 3.83Å; I624-R693 HydrophobicContact CD1-CG 3.91Å; I624-R693 HydrophobicContact CG1-CG 4.32Å
625	P	55.3	Low	59	Low	69 Å²	69	60.1 Å²	60.1	45%	0.448	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-61.7	133.6	171.1	-18.8	31.1	0	0	0	110.2	V611 A623 Q627	V611-P625 HydrophobicContact CG1-CB 3.74Å; A623-P625 WeakPolarHBondContact O-CD 3.22Å; P625-Q627 VanDerWaalsContact C-N 3.28Å; P625-Q627 PolarHBondContact O-N 3.17Å
626	V	58.6	Low	61.2	Low	7 Å²	7	56.8 Å²	56.8	4%	0.042	32%	0.322	C	S	.	.			trans	-72.2	88.4	174.6	177.2	0	0	0	0	108.7	A612 V614 I624 L628 I683 L688	A612-V626 HydrophobicContact CB-CB 4.1Å; A612-V626 HydrophobicContact CB-CG2 4.11Å; A612-V626 WeakPolarHBondContact O-CB 3.35Å; A612-V626 WeakPolarHBondContact O-CG2 3.13Å; A612-V626 PolarHBondContact O-N 2.95Å; V614-V626 HydrophobicContact CG2-CG2 3.76Å; I624-V626 PolarHBondContact O-N 2.71Å; V626-L628 HydrophobicContact CG1-CG 4.47Å; V626-L628 WeakPolarHBondContact O-CD1 3.42Å; V626-L628 PolarHBondContact O-N 3.26Å; V626-I683 HydrophobicContact CG1-CD1 4.22Å; V626-L688 HydrophobicContact CG2-CD2 3.89Å
627	Q	57.1	Low	63.9	Low	119 Å²	119	54.1 Å²	54.1	56%	0.556	31%	0.31	S	S	*	.			trans	-68.2	94.1	169.2	-70.8	175.2	-17.8	0	0	108.9	P625 N629 A630	P625-Q627 VanDerWaalsContact C-N 3.28Å; P625-Q627 PolarHBondContact O-N 3.17Å; Q627-N629 PolarHBondContact O-N 2.87Å; Q627-N629 VanDerWaalsContact O-N 3.08Å; Q627-A630 HydrophobicContact CB-CB 3.82Å; Q627-A630 WeakPolarHBondContact O-CB 3.34Å; Q627-A630 PolarHBondContact O-N 2.95Å
628	L	51.9	Low	66.5	Low	95 Å²	95	52 Å²	52	50%	0.497	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.7	179.1	-72.4	99.2	0	0	0	112.6	V626 K666	V626-L628 HydrophobicContact CG1-CG 4.47Å; V626-L628 WeakPolarHBondContact O-CD1 3.42Å; V626-L628 PolarHBondContact O-N 3.26Å; L628-K666 WeakPolarHBondContact O-CE 3.24Å; L628-K666 PolarHBondContact O-NZ 3.5Å
629	N	56.1	Low	69	Low	162 Å²	162	48.3 Å²	48.3	87%	0.866	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	5.8	-179.9	-60.8	-2.8	0	0	0	114.2	Q627	Q627-N629 PolarHBondContact O-N 2.87Å; Q627-N629 VanDerWaalsContact O-N 3.08Å
630	A	70.1	Confident	71.5	Confident	19 Å²	19	48.9 Å²	48.9	16%	0.157	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-63.3	148.1	-177.5	0	0	0	0	0	113.3	Q627 K666	Q627-A630 HydrophobicContact CB-CB 3.82Å; Q627-A630 WeakPolarHBondContact O-CB 3.34Å; Q627-A630 PolarHBondContact O-N 2.95Å; A630-K666 HydrophobicContact CB-CG 3.94Å; A630-K666 WeakPolarHBondContact O-CE 3.29Å; A630-K666 WeakPolarHBondContact O-CG 3.3Å
631	V	82.5	Confident	73.8	Confident	87 Å²	87	47.7 Å²	47.7	53%	0.527	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-62.7	138.7	176.8	178.7	0	0	0	0	110.6	Y633 K666 G667	V631-Y633 HydrophobicContact CB-CE2 3.84Å; V631-Y633 HydrophobicContact CG1-CD2 4.42Å; V631-Y633 HydrophobicContact CG1-CE1 4.22Å; V631-Y633 HydrophobicContact CG1-CE2 4.02Å; V631-Y633 WeakPolarHBondContact O-CD2 3.43Å; V631-Y633 WeakPolarHBondContact O-CE2 3.43Å; V631-K666 CarbonylContact O-C 3.48Å; V631-K666 WeakPolarHBondContact O-CA 3.46Å; V631-G667 PolarHBondContact O-N 3.08Å
632	T	88.9	Confident	76.2	Confident	59 Å²	59	46.4 Å²	46.4	36%	0.362	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.1	173.2	-59.8	0	0	0	0	109.4	V664 L665	T632-V664 HydrophobicContact CG2-CG1 3.76Å; T632-L665 CarbonylContact C-O 3.59Å; T632-L665 WeakPolarHBondContact CA-O 3.46Å
633	Y	90.8	Very high	78	Confident	33 Å²	33	47 Å²	47	13%	0.129	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-28.5	-171.4	-69.1	-89.7	0	0	0	113.7	V631 L665 R738 V742 F746 L845	V631-Y633 HydrophobicContact CB-CE2 3.84Å; V631-Y633 HydrophobicContact CG1-CD2 4.42Å; V631-Y633 HydrophobicContact CG1-CE1 4.22Å; V631-Y633 HydrophobicContact CG1-CE2 4.02Å; V631-Y633 WeakPolarHBondContact O-CD2 3.43Å; V631-Y633 WeakPolarHBondContact O-CE2 3.43Å; Y633-L665 PolarHBondContact N-O 2.93Å; Y633-R738 WeakPolarHBondContact O-CD 3.4Å; Y633-R738 PolarHBondContact O-NH1 3.04Å; Y633-V742 HydrophobicContact CD1-CG2 3.48Å; Y633-V742 VanDerWaalsContact CD1-CG2 3.48Å; Y633-V742 HydrophobicContact CD2-CG1 4.44Å; Y633-V742 HydrophobicContact CD2-CG2 3.7Å; Y633-V742 HydrophobicContact CE1-CG2 3.99Å; Y633-V742 HydrophobicContact CE2-CG2 4.18Å; Y633-V742 HydrophobicContact CG-CG2 3.34Å; Y633-F746 HydrophobicContact CE1-CE2 4.48Å; Y633-F746 HydrophobicContact CE2-CE2 4.44Å; Y633-F746 AromaticContact CZ-CE2 3.85Å; Y633-F746 WeakPolarHBondContact OH-CE2 3.42Å; Y633-F746 WeakPolarHBondContact OH-CZ 3.39Å; Y633-L845 HydrophobicContact CD1-CD1 3.63Å; Y633-L845 HydrophobicContact CE1-CD1 4.16Å
634	K	93.1	Very high	80	Confident	29 Å²	29	47.2 Å²	47.2	13%	0.126	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	150.4	169	-169	172.5	175.5	76.3	0	109.6	L665 E731 S734 W735 R738	K634-L665 PolarHBondContact O-N 2.83Å; K634-E731 WeakPolarHBondContact CE-OE1 3.17Å; K634-E731 VanDerWaalsContact CE-OE2 3.26Å; K634-E731 WeakPolarHBondContact CE-OE2 3.38Å; K634-E731 IonicContact NZ-OE1 2.68Å; K634-E731 PolarHBondContact NZ-OE1 3.02Å; K634-E731 IonicContact NZ-OE2 2.72Å; K634-E731 PolarHBondContact NZ-OE2 3.24Å; K634-S734 VanDerWaalsContact CE-OG 3.26Å; K634-S734 WeakPolarHBondContact CE-OG 3.46Å; K634-S734 PolarHBondContact NZ-OG 2.97Å; K634-W735 HydrophobicContact CB-CE3 4.44Å; K634-W735 HydrophobicContact CB-CH2 4.21Å; K634-W735 HydrophobicContact CB-CZ3 4.11Å; K634-W735 HydrophobicContact CD-CD2 3.68Å; K634-W735 HydrophobicContact CD-CE3 4.03Å; K634-W735 HydrophobicContact CD-CG 4Å; K634-W735 HydrophobicContact CD-CH2 4.5Å; K634-W735 HydrophobicContact CD-CZ2 4.18Å; K634-W735 HydrophobicContact CD-CZ3 4.42Å; K634-W735 VanDerWaalsContact CE-NE1 3.28Å; K634-W735 HydrophobicContact CG-CD2 4.32Å; K634-W735 HydrophobicContact CG-CE3 4.4Å; K634-W735 HydrophobicContact CG-CH2 4.09Å; K634-W735 HydrophobicContact CG-CZ2 3.99Å; K634-W735 HydrophobicContact CG-CZ3 4.29Å; K634-R738 HydrophobicContact CB-CB 4.19Å; K634-R738 HydrophobicContact CB-CG 4.1Å; K634-R738 HydrophobicContact CD-CG 4.15Å
635	H	93.4	Very high	81.4	Confident	90 Å²	90	48.7 Å²	48.7	42%	0.417	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	159.3	168.5	62.4	84.9	0	0	0	110.8	Y662 A663 V664	H635-Y662 HydrophobicContact CB-CE1 3.94Å; H635-Y662 AromaticContact ND1-CZ 3.87Å; H635-Y662 PolarHBondContact ND1-OH 2.85Å; H635-A663 CarbonylContact C-O 3.47Å; H635-A663 WeakPolarHBondContact CA-O 3.39Å; H635-V664 HydrophobicContact CB-CG1 4.37Å; H635-V664 HydrophobicContact CB-CG2 4.25Å
636	G	92.9	Very high	82.3	Confident	11 Å²	11	48.3 Å²	48.3	11%	0.113	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.6	178.8	-175.8	0	0	0	0	0	114.3	A663	G636-A663 PolarHBondContact N-O 3.42Å; G636-A663 WeakPolarHBondContact O-CA 3.27Å; G636-A663 WeakPolarHBondContact O-CB 3.42Å; G636-A663 PolarHBondContact O-N 3.16Å
637	V	93.6	Very high	82.7	Confident	52 Å²	52	52.2 Å²	52.2	32%	0.315	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122.8	-174.6	175.9	0	0	0	0	111.5	K660 Y662	V637-K660 HydrophobicContact CG1-CD 4.37Å; V637-K660 HydrophobicContact CG1-CG 4.1Å; V637-Y662 HydrophobicContact CG2-CD2 4.04Å; V637-Y662 HydrophobicContact CG2-CE2 4.32Å
638	L	95.6	Very high	83.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.4	171.7	-68.8	-179	0	0	0	111.3	F661 A663 L724 A726 W735	L638-F661 PolarHBondContact N-O 3.27Å; L638-F661 VanDerWaalsContact N-O 3.08Å; L638-F661 PolarHBondContact O-N 2.63Å; L638-A663 HydrophobicContact CB-CB 4.11Å; L638-A663 HydrophobicContact CD1-CB 3.66Å; L638-A663 HydrophobicContact CG-CB 3.87Å; L638-L724 HydrophobicContact CB-CD2 4.3Å; L638-L724 HydrophobicContact CD1-CB 4.42Å; L638-L724 HydrophobicContact CD1-CD1 4.38Å; L638-L724 HydrophobicContact CD1-CD2 4.14Å; L638-A726 HydrophobicContact CD2-CB 4.03Å; L638-W735 HydrophobicContact CD1-CD2 3.9Å; L638-W735 HydrophobicContact CD1-CE3 4.13Å; L638-W735 HydrophobicContact CD1-CG 4.35Å; L638-W735 HydrophobicContact CD1-CH2 4.46Å; L638-W735 HydrophobicContact CD1-CZ2 4.25Å; L638-W735 HydrophobicContact CD1-CZ3 4.41Å; L638-W735 HydrophobicContact CD2-CD2 4.39Å; L638-W735 HydrophobicContact CD2-CG 4.18Å; L638-W735 HydrophobicContact CG-CD2 4.39Å; L638-W735 HydrophobicContact CG-CZ2 4.31Å
639	T	94.9	Very high	84.5	Confident	30 Å²	30	50.4 Å²	50.4	18%	0.184	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.8	167.3	-47	0	0	0	0	109	W658 K659 L724 Q725	T639-W658 HydrophobicContact CG2-CB 4Å; T639-W658 HydrophobicContact CG2-CE3 3.9Å; T639-W658 WeakPolarHBondContact O-CZ3 3.5Å; T639-K659 CarbonylContact C-O 3.47Å; T639-K659 WeakPolarHBondContact CA-O 3.41Å; T639-K659 WeakPolarHBondContact CG2-O 3.15Å; T639-L724 CarbonylContact O-C 3.54Å; T639-L724 WeakPolarHBondContact O-CA 3.31Å; T639-Q725 PolarHBondContact N-O 3.09Å; T639-Q725 PolarHBondContact O-N 3.31Å
640	R	94.3	Very high	85.8	Confident	26 Å²	26	49.9 Å²	49.9	10%	0.098	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	143.6	179.6	179.6	179.1	56.7	172	-6.5	111.9	W658 K659 F661 L672 N690 F722 L723 L724	R640-W658 CarbonylContact O-C 3.58Å; R640-W658 WeakPolarHBondContact O-CA 3.22Å; R640-K659 PolarHBondContact N-O 3.33Å; R640-K659 PolarHBondContact O-N 2.91Å; R640-F661 HydrophobicContact CB-CD2 3.87Å; R640-F661 HydrophobicContact CB-CE2 3.87Å; R640-L672 VanDerWaalsContact CD-CD1 3.49Å; R640-N690 PolarHBondContact NH1-O 2.67Å; R640-N690 PolarHBondContact NH2-OD1 3.21Å; R640-F722 HydrophobicContact CG-CD1 4.14Å; R640-L723 CarbonylContact C-O 3.6Å; R640-L723 WeakPolarHBondContact CA-O 3.5Å; R640-L724 HydrophobicContact CB-CD2 3.61Å; R640-L724 HydrophobicContact CG-CD2 3.94Å
641	K	93.1	Very high	86.5	Confident	17 Å²	17	49.1 Å²	49.1	7%	0.074	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	121.8	160.8	162.9	167.9	160.2	-74.6	0	109.7	D643 R656 W658 L723	K641-D643 IonicContact NZ-OD1 2.58Å; K641-D643 PolarHBondContact NZ-OD1 2.71Å; K641-R656 VanDerWaalsContact CD-O 3.29Å; K641-R656 WeakPolarHBondContact CD-O 3.43Å; K641-R656 WeakPolarHBondContact CG-O 3.5Å; K641-W658 HydrophobicContact CB-CD2 3.51Å; K641-W658 HydrophobicContact CB-CE3 3.47Å; K641-W658 VanDerWaalsContact CB-CE3 3.47Å; K641-W658 HydrophobicContact CB-CG 4.05Å; K641-W658 HydrophobicContact CB-CH2 4.18Å; K641-W658 HydrophobicContact CB-CZ2 4.19Å; K641-W658 HydrophobicContact CB-CZ3 3.82Å; K641-W658 HydrophobicContact CD-CD2 3.95Å; K641-W658 HydrophobicContact CD-CG 4.13Å; K641-W658 HydrophobicContact CD-CZ2 4.02Å; K641-W658 HydrophobicContact CG-CD2 4.39Å; K641-L723 PolarHBondContact N-O 3.06Å; K641-L723 PolarHBondContact O-N 2.97Å
642	S	90.7	Very high	86.5	Confident	28 Å²	28	48.3 Å²	48.3	20%	0.196	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	128.4	168.1	-51	0	0	0	0	109.6	R656	S642-R656 WeakPolarHBondContact O-CG 3.49Å
643	D	87.4	Confident	85.7	Confident	37 Å²	37	54.5 Å²	54.5	20%	0.198	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-40.2	177.8	-146.3	87.2	0	0	0	112.3	K641 R650 T651 R656 V721 L723	K641-D643 IonicContact NZ-OD1 2.58Å; K641-D643 PolarHBondContact NZ-OD1 2.71Å; D643-R650 CarbonylContact O-C 3.54Å; D643-R650 WeakPolarHBondContact O-CA 3.1Å; D643-T651 PolarHBondContact O-N 3.14Å; D643-T651 PolarHBondContact O-OG1 3.32Å; D643-R656 VanDerWaalsContact CG-CZ 3.42Å; D643-R656 VanDerWaalsContact O-CZ 3.31Å; D643-R656 PolarHBondContact O-NH2 3.02Å; D643-R656 IonicContact OD1-CZ 3.42Å; D643-R656 IonicContact OD1-NH1 2.75Å; D643-R656 PolarHBondContact OD1-NH1 2.71Å; D643-R656 IonicContact OD1-NH2 2.71Å; D643-R656 IonicContact OD2-CZ 3.09Å; D643-R656 IonicContact OD2-NH1 2.89Å; D643-R656 PolarHBondContact OD2-NH1 2.66Å; D643-R656 IonicContact OD2-NH2 3.74Å; D643-R656 PolarHBondContact OD2-NH2 3.22Å; D643-V721 PolarHBondContact N-O 2.92Å; D643-L723 HydrophobicContact CB-CG 4.47Å
644	A	86.8	Confident	85	Confident	11 Å²	11	56.9 Å²	56.9	9%	0.091	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.7	171.1	0	0	0	0	0	111.8	K649 T651 R720 V721	A644-K649 CarbonylContact C-O 3.35Å; A644-K649 VanDerWaalsContact CA-O 3.32Å; A644-K649 WeakPolarHBondContact CA-O 2.97Å; A644-T651 VanDerWaalsContact C-OG1 3.29Å; A644-T651 PolarHBondContact N-OG1 3.46Å; A644-R720 WeakPolarHBondContact O-CA 3.34Å; A644-V721 HydrophobicContact CB-CB 3.84Å; A644-V721 HydrophobicContact CB-CG2 3.97Å; A644-V721 PolarHBondContact N-O 3.31Å; A644-V721 VanDerWaalsContact N-O 3.16Å; A644-V721 PolarHBondContact O-N 3.47Å
645	D	83.4	Confident	84.3	Confident	41 Å²	41	63 Å²	63	22%	0.219	33%	0.333	C	S	.	.			trans	-85.6	176.7	169	-62	-10.4	0	0	0	109.2	D647 G648 K649 T651 P652 R655	D645-D647 VanDerWaalsContact C-N 3.33Å; D645-D647 PolarHBondContact O-N 3.43Å; D645-D647 VanDerWaalsContact O-N 3.14Å; D645-G648 WeakPolarHBondContact O-CA 3.03Å; D645-G648 PolarHBondContact O-N 3.1Å; D645-K649 PolarHBondContact N-O 3.34Å; D645-T651 PolarHBondContact N-OG1 3.04Å; D645-T651 WeakPolarHBondContact OD1-CA 3.31Å; D645-T651 VanDerWaalsContact OD1-CB 3.23Å; D645-T651 WeakPolarHBondContact OD1-CB 3.36Å; D645-T651 VanDerWaalsContact OD1-CG2 3.3Å; D645-T651 WeakPolarHBondContact OD1-CG2 3.33Å; D645-T651 PolarHBondContact OD1-OG1 2.88Å; D645-P652 VanDerWaalsContact OD2-CD 3.23Å; D645-P652 WeakPolarHBondContact OD2-CD 3.23Å; D645-R655 IonicContact OD2-CZ 3.14Å; D645-R655 IonicContact OD2-NE 2.68Å; D645-R655 IonicContact OD2-NH2 3.49Å; D645-R655 PolarHBondContact OD2-NH2 3.12Å
646	M	74.4	Confident	83.7	Confident	62 Å²	62	60.6 Å²	60.6	31%	0.305	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-39.5	-164	-159.4	162.1	61.5	0	0	115.4	I544 G648 D718 R720	I544-M646 HydrophobicContact CG2-CE 3.5Å; I544-M646 VanDerWaalsContact CG2-CE 3.5Å; I544-M646 HydrophobicContact CG2-SD 4.12Å; M646-G648 PolarHBondContact O-N 3.49Å; M646-D718 CarbonylContact C-O 3.51Å; M646-D718 WeakPolarHBondContact CA-O 3.41Å; M646-D718 HydrophobicContact CG-CB 3.87Å; M646-D718 WeakPolarHBondContact CG-O 3.44Å; M646-D718 HydrophobicContact SD-CB 4.26Å; M646-R720 HydrophobicContact CB-CG 4.27Å; M646-R720 PolarHBondContact SD-NH2 3.31Å; M646-R720 VanDerWaalsContact SD-NH2 3.44Å
647	D	65.1	Low	83.4	Confident	88 Å²	88	61.9 Å²	61.9	47%	0.471	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-2.8	176.5	-53.8	9.9	0	0	0	114.2	D645 K649	D645-D647 VanDerWaalsContact C-N 3.33Å; D645-D647 PolarHBondContact O-N 3.43Å; D645-D647 VanDerWaalsContact O-N 3.14Å; D647-K649 HydrophobicContact CB-CB 4.12Å; D647-K649 HydrophobicContact CB-CD 3.66Å; D647-K649 HydrophobicContact CB-CG 3.68Å; D647-K649 PolarHBondContact O-N 3.41Å; D647-K649 VanDerWaalsContact OD2-CD 3.29Å; D647-K649 WeakPolarHBondContact OD2-CD 3.06Å; D647-K649 WeakPolarHBondContact OD2-CE 3.32Å; D647-K649 IonicContact OD2-NZ 3.16Å; D647-K649 PolarHBondContact OD2-NZ 3.18Å
648	G	69.4	Low	83.4	Confident	37 Å²	37	62.7 Å²	62.7	38%	0.381	33%	0.331	S	S	.	.	S	Bend	trans	73.9	-0.5	-162	0	0	0	0	0	113.3	D645 M646	D645-G648 WeakPolarHBondContact O-CA 3.03Å; D645-G648 PolarHBondContact O-N 3.1Å; M646-G648 PolarHBondContact O-N 3.49Å
649	K	78.8	Confident	83.2	Confident	139 Å²	139	68.8 Å²	68.8	60%	0.604	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-70.7	143.8	178.3	-69	171.2	-165.9	158.9	0	110.4	A644 D645 D647 T651	A644-K649 CarbonylContact C-O 3.35Å; A644-K649 VanDerWaalsContact CA-O 3.32Å; A644-K649 WeakPolarHBondContact CA-O 2.97Å; D645-K649 PolarHBondContact N-O 3.34Å; D647-K649 HydrophobicContact CB-CB 4.12Å; D647-K649 HydrophobicContact CB-CD 3.66Å; D647-K649 HydrophobicContact CB-CG 3.68Å; D647-K649 PolarHBondContact O-N 3.41Å; D647-K649 VanDerWaalsContact OD2-CD 3.29Å; D647-K649 WeakPolarHBondContact OD2-CD 3.06Å; D647-K649 WeakPolarHBondContact OD2-CE 3.32Å; D647-K649 IonicContact OD2-NZ 3.16Å; D647-K649 PolarHBondContact OD2-NZ 3.18Å; K649-T651 PolarHBondContact O-N 3.13Å
650	R	83.6	Confident	83.1	Confident	152 Å²	152	74.5 Å²	74.5	57%	0.574	38%	0.379	S	S	*	.	B	Isolated β-bridge	trans	-60.6	121.2	-178.4	-66.4	-174.7	70.5	176.2	7.4	111.4	D643 R656 S877	D643-R650 CarbonylContact O-C 3.54Å; D643-R650 WeakPolarHBondContact O-CA 3.1Å; R650-R656 VanDerWaalsContact NE-NH2 3.12Å; R650-S877 PolarHBondContact NH1-OG 2.84Å
651	T	84.4	Confident	83	Confident	3 Å²	3	73.7 Å²	73.7	2%	0.018	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-49.6	129.6	174.9	-57.1	0	0	0	0	111.1	D643 A644 D645 K649 R655 R656	D643-T651 PolarHBondContact O-N 3.14Å; D643-T651 PolarHBondContact O-OG1 3.32Å; A644-T651 VanDerWaalsContact C-OG1 3.29Å; A644-T651 PolarHBondContact N-OG1 3.46Å; D645-T651 PolarHBondContact N-OG1 3.04Å; D645-T651 WeakPolarHBondContact OD1-CA 3.31Å; D645-T651 VanDerWaalsContact OD1-CB 3.23Å; D645-T651 WeakPolarHBondContact OD1-CB 3.36Å; D645-T651 VanDerWaalsContact OD1-CG2 3.3Å; D645-T651 WeakPolarHBondContact OD1-CG2 3.33Å; D645-T651 PolarHBondContact OD1-OG1 2.88Å; K649-T651 PolarHBondContact O-N 3.13Å; T651-R655 HydrophobicContact CG2-CB 3.65Å; T651-R656 HydrophobicContact CG2-CB 4.49Å; T651-R656 HydrophobicContact CG2-CG 4.36Å; T651-R656 VanDerWaalsContact O-CD 3.25Å; T651-R656 WeakPolarHBondContact O-CD 3.42Å; T651-R656 PolarHBondContact O-NE 2.9Å
652	P	81.6	Confident	83	Confident	70 Å²	70	75.1 Å²	75.1	46%	0.455	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-55.8	145.4	-179.3	-28.9	35.5	0	0	0	113.8	D645 G654 R655 R656	D645-P652 VanDerWaalsContact OD2-CD 3.23Å; D645-P652 WeakPolarHBondContact OD2-CD 3.23Å; P652-G654 PolarHBondContact O-N 3.21Å; P652-R655 PolarHBondContact O-N 3.26Å; P652-R656 PolarHBondContact O-N 2.95Å
653	K	72.9	Confident	83.1	Confident	189 Å²	189	73.8 Å²	73.8	82%	0.822	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-40.2	-171.5	-70.3	-178.4	178.4	176.9	0	113.9	R655 R656	K653-R655 PolarHBondContact O-N 3.3Å; K653-R656 PolarHBondContact O-N 3.35Å
654	G	75.6	Confident	83.3	Confident	83 Å²	83	72.5 Å²	72.5	86%	0.856	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-24	178.7	0	0	0	0	0	115.7	P652	P652-G654 PolarHBondContact O-N 3.21Å
655	R	78	Confident	83.6	Confident	158 Å²	158	72 Å²	72	60%	0.596	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-13.8	175	-60.8	-159.4	-65.3	-146.9	4.6	113.1	D645 T651 P652 K653 G657	D645-R655 IonicContact OD2-CZ 3.14Å; D645-R655 IonicContact OD2-NE 2.68Å; D645-R655 IonicContact OD2-NH2 3.49Å; D645-R655 PolarHBondContact OD2-NH2 3.12Å; T651-R655 HydrophobicContact CG2-CB 3.65Å; P652-R655 PolarHBondContact O-N 3.26Å; K653-R655 PolarHBondContact O-N 3.3Å; R655-G657 VanDerWaalsContact C-N 3.29Å; R655-G657 PolarHBondContact O-N 3.38Å
656	R	81.8	Confident	83.8	Confident	39 Å²	39	72.3 Å²	72.3	15%	0.147	36%	0.361	C	S	.	.			trans	-82	12.9	-169	-134	178	-148.7	-103	-1.7	115.8	K641 S642 D643 R650 T651 P652 K653	K641-R656 VanDerWaalsContact CD-O 3.29Å; K641-R656 WeakPolarHBondContact CD-O 3.43Å; K641-R656 WeakPolarHBondContact CG-O 3.5Å; S642-R656 WeakPolarHBondContact O-CG 3.49Å; D643-R656 VanDerWaalsContact CG-CZ 3.42Å; D643-R656 VanDerWaalsContact O-CZ 3.31Å; D643-R656 PolarHBondContact O-NH2 3.02Å; D643-R656 IonicContact OD1-CZ 3.42Å; D643-R656 IonicContact OD1-NH1 2.75Å; D643-R656 PolarHBondContact OD1-NH1 2.71Å; D643-R656 IonicContact OD1-NH2 2.71Å; D643-R656 IonicContact OD2-CZ 3.09Å; D643-R656 IonicContact OD2-NH1 2.89Å; D643-R656 PolarHBondContact OD2-NH1 2.66Å; D643-R656 IonicContact OD2-NH2 3.74Å; D643-R656 PolarHBondContact OD2-NH2 3.22Å; R650-R656 VanDerWaalsContact NE-NH2 3.12Å; T651-R656 HydrophobicContact CG2-CB 4.49Å; T651-R656 HydrophobicContact CG2-CG 4.36Å; T651-R656 VanDerWaalsContact O-CD 3.25Å; T651-R656 WeakPolarHBondContact O-CD 3.42Å; T651-R656 PolarHBondContact O-NE 2.9Å; P652-R656 PolarHBondContact O-N 2.95Å; K653-R656 PolarHBondContact O-N 3.35Å
657	G	86.7	Confident	84.3	Confident	38 Å²	38	69.9 Å²	69.9	39%	0.392	35%	0.352	S	S	.	.			trans	-75.7	148.7	-177.1	0	0	0	0	0	113.2	R655	R655-G657 VanDerWaalsContact C-N 3.29Å; R655-G657 PolarHBondContact O-N 3.38Å
658	W	92.8	Very high	85.4	Confident	69 Å²	69	66.4 Å²	66.4	26%	0.261	33%	0.333	S	S	.	.			trans	-72	132.4	167.1	-71.4	103.8	0	0	0	109.9	T639 R640 K641 Y705 K708 V711 L723 Q725	T639-W658 HydrophobicContact CG2-CB 4Å; T639-W658 HydrophobicContact CG2-CE3 3.9Å; T639-W658 WeakPolarHBondContact O-CZ3 3.5Å; R640-W658 CarbonylContact O-C 3.58Å; R640-W658 WeakPolarHBondContact O-CA 3.22Å; K641-W658 HydrophobicContact CB-CD2 3.51Å; K641-W658 HydrophobicContact CB-CE3 3.47Å; K641-W658 VanDerWaalsContact CB-CE3 3.47Å; K641-W658 HydrophobicContact CB-CG 4.05Å; K641-W658 HydrophobicContact CB-CH2 4.18Å; K641-W658 HydrophobicContact CB-CZ2 4.19Å; K641-W658 HydrophobicContact CB-CZ3 3.82Å; K641-W658 HydrophobicContact CD-CD2 3.95Å; K641-W658 HydrophobicContact CD-CG 4.13Å; K641-W658 HydrophobicContact CD-CZ2 4.02Å; K641-W658 HydrophobicContact CG-CD2 4.39Å; W658-Y705 HydrophobicContact CH2-CE1 4.36Å; W658-Y705 AromaticContact CZ2-CE1 3.62Å; W658-Y705 HydrophobicContact CZ2-CE1 3.62Å; W658-Y705 AromaticContact CZ2-CZ 3.69Å; W658-Y705 WeakPolarHBondContact CZ2-OH 3.32Å; W658-Y705 PolarHBondContact NE1-OH 3Å; W658-K708 HydrophobicContact CD2-CD 4.12Å; W658-K708 HydrophobicContact CH2-CD 4.23Å; W658-K708 HydrophobicContact CZ2-CD 3.72Å; W658-V711 HydrophobicContact CH2-CG1 4.1Å; W658-V711 HydrophobicContact CH2-CG2 4.09Å; W658-L723 HydrophobicContact CH2-CB 3.67Å; W658-L723 HydrophobicContact CZ2-CB 4.39Å; W658-L723 HydrophobicContact CZ3-CB 4.22Å; W658-L723 WeakPolarHBondContact CZ3-O 3.47Å; W658-Q725 HydrophobicContact CH2-CB 4.44Å; W658-Q725 HydrophobicContact CZ3-CB 4.04Å
659	K	92	Very high	86.4	Confident	127 Å²	127	64.8 Å²	64.8	55%	0.552	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.2	176.9	-67.7	177.1	-177.7	178.8	0	109.2	T639 R640 F661	T639-K659 CarbonylContact C-O 3.47Å; T639-K659 WeakPolarHBondContact CA-O 3.41Å; T639-K659 WeakPolarHBondContact CG2-O 3.15Å; R640-K659 PolarHBondContact N-O 3.33Å; R640-K659 PolarHBondContact O-N 2.91Å; K659-F661 HydrophobicContact CB-CD2 4.32Å; K659-F661 HydrophobicContact CB-CE2 3.49Å; K659-F661 VanDerWaalsContact CB-CE2 3.49Å; K659-F661 HydrophobicContact CB-CZ 3.84Å; K659-F661 HydrophobicContact CD-CZ 4.24Å; K659-F661 VanDerWaalsContact O-CD2 3.27Å; K659-F661 WeakPolarHBondContact O-CD2 3.3Å; K659-F661 WeakPolarHBondContact O-CE2 3.32Å
660	K	92.6	Very high	87	Confident	151 Å²	151	58.2 Å²	58.2	66%	0.657	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	140.9	174.7	-166.7	-174.1	179.5	-168.8	0	109	V637	V637-K660 HydrophobicContact CG1-CD 4.37Å; V637-K660 HydrophobicContact CG1-CG 4.1Å
661	F	92.4	Very high	87.3	Confident	8 Å²	8	51.1 Å²	51.1	4%	0.035	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.3	174.2	-64.4	-84	0	0	0	109.3	L638 R640 K659 L672 Q673 K674 N690	L638-F661 PolarHBondContact N-O 3.27Å; L638-F661 VanDerWaalsContact N-O 3.08Å; L638-F661 PolarHBondContact O-N 2.63Å; R640-F661 HydrophobicContact CB-CD2 3.87Å; R640-F661 HydrophobicContact CB-CE2 3.87Å; K659-F661 HydrophobicContact CB-CD2 4.32Å; K659-F661 HydrophobicContact CB-CE2 3.49Å; K659-F661 VanDerWaalsContact CB-CE2 3.49Å; K659-F661 HydrophobicContact CB-CZ 3.84Å; K659-F661 HydrophobicContact CD-CZ 4.24Å; K659-F661 VanDerWaalsContact O-CD2 3.27Å; K659-F661 WeakPolarHBondContact O-CD2 3.3Å; K659-F661 WeakPolarHBondContact O-CE2 3.32Å; F661-L672 HydrophobicContact CB-CB 4.07Å; F661-L672 HydrophobicContact CB-CD2 4.24Å; F661-L672 HydrophobicContact CD1-CB 3.94Å; F661-L672 WeakPolarHBondContact CD1-O 3.5Å; F661-L672 HydrophobicContact CD2-CB 4.47Å; F661-L672 HydrophobicContact CG-CB 3.92Å; F661-Q673 CarbonylContact C-O 3.58Å; F661-Q673 WeakPolarHBondContact CA-O 3.01Å; F661-Q673 WeakPolarHBondContact CB-O 3.08Å; F661-Q673 WeakPolarHBondContact CD1-O 3.44Å; F661-K674 HydrophobicContact CD1-CG 4.12Å; F661-K674 HydrophobicContact CE1-CG 3.86Å; F661-N690 HydrophobicContact CE1-CB 4.29Å
662	Y	92.1	Very high	87.5	Confident	47 Å²	47	51 Å²	51	18%	0.184	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123	154.6	-158.2	-87.8	0	0	0	108.3	H635 V637 V664 L672 Q673 Y677	H635-Y662 HydrophobicContact CB-CE1 3.94Å; H635-Y662 AromaticContact ND1-CZ 3.87Å; H635-Y662 PolarHBondContact ND1-OH 2.85Å; V637-Y662 HydrophobicContact CG2-CD2 4.04Å; V637-Y662 HydrophobicContact CG2-CE2 4.32Å; Y662-V664 HydrophobicContact CD1-CG2 3.89Å; Y662-V664 HydrophobicContact CE1-CG2 4.12Å; Y662-L672 CarbonylContact O-C 3.52Å; Y662-Q673 PolarHBondContact N-O 3.25Å; Y662-Q673 PolarHBondContact O-N 3.47Å; Y662-Y677 HydrophobicContact CD1-CD1 4.43Å; Y662-Y677 AromaticContact CD1-CD2 3.56Å; Y662-Y677 HydrophobicContact CD1-CD2 3.56Å; Y662-Y677 HydrophobicContact CD1-CE2 4.32Å; Y662-Y677 AromaticContact CD1-CG 3.63Å; Y662-Y677 HydrophobicContact CD1-CG 3.63Å; Y662-Y677 AromaticContact CE1-CD1 3.57Å; Y662-Y677 HydrophobicContact CE1-CD1 3.57Å; Y662-Y677 AromaticContact CE1-CD2 3.37Å; Y662-Y677 HydrophobicContact CE1-CD2 3.37Å; Y662-Y677 HydrophobicContact CE1-CE1 4.04Å; Y662-Y677 AromaticContact CE1-CE2 3.88Å; Y662-Y677 HydrophobicContact CE1-CE2 3.88Å; Y662-Y677 AromaticContact CE1-CG 3.19Å; Y662-Y677 HydrophobicContact CE1-CG 3.19Å; Y662-Y677 HydrophobicContact CE2-CD1 4.46Å; Y662-Y677 HydrophobicContact CE2-CG 4.25Å; Y662-Y677 HydrophobicContact CG-CG 4.29Å; Y662-Y677 AromaticContact CZ-CD1 3.59Å; Y662-Y677 AromaticContact CZ-CG 3.55Å; Y662-Y677 WeakPolarHBondContact OH-CD1 3.4Å
663	A	93.3	Very high	87.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	136.9	-177.5	0	0	0	0	0	110.4	H635 G636 L638 L670 Y671 L672 W735	H635-A663 CarbonylContact C-O 3.47Å; H635-A663 WeakPolarHBondContact CA-O 3.39Å; G636-A663 PolarHBondContact N-O 3.42Å; G636-A663 WeakPolarHBondContact O-CA 3.27Å; G636-A663 WeakPolarHBondContact O-CB 3.42Å; G636-A663 PolarHBondContact O-N 3.16Å; L638-A663 HydrophobicContact CB-CB 4.11Å; L638-A663 HydrophobicContact CD1-CB 3.66Å; L638-A663 HydrophobicContact CG-CB 3.87Å; A663-L670 HydrophobicContact CB-CD1 4.2Å; A663-Y671 WeakPolarHBondContact CA-O 3.47Å; A663-L672 HydrophobicContact CB-CD2 3.65Å; A663-W735 HydrophobicContact CB-CH2 3.63Å; A663-W735 HydrophobicContact CB-CZ2 3.93Å; A663-W735 HydrophobicContact CB-CZ3 4.33Å
664	V	91.7	Very high	88.1	Confident	10 Å²	10	45.3 Å²	45.3	6%	0.061	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	113.2	176.3	-172.6	0	0	0	0	108	T632 H635 Y662 K666 Y671 Y677	T632-V664 HydrophobicContact CG2-CG1 3.76Å; H635-V664 HydrophobicContact CB-CG1 4.37Å; H635-V664 HydrophobicContact CB-CG2 4.25Å; Y662-V664 HydrophobicContact CD1-CG2 3.89Å; Y662-V664 HydrophobicContact CE1-CG2 4.12Å; V664-K666 HydrophobicContact CG1-CB 4.34Å; V664-Y671 PolarHBondContact N-O 3.3Å; V664-Y671 PolarHBondContact O-N 3.01Å; V664-Y677 HydrophobicContact CG2-CD2 4.07Å; V664-Y677 HydrophobicContact CG2-CE2 3.7Å
665	L	92.3	Very high	87.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	105	173.4	176.4	59.6	0	0	0	108.7	T632 Y633 K634 L670 I694 W735 R738 I739 V742	T632-L665 CarbonylContact C-O 3.59Å; T632-L665 WeakPolarHBondContact CA-O 3.46Å; Y633-L665 PolarHBondContact N-O 2.93Å; K634-L665 PolarHBondContact O-N 2.83Å; L665-L670 HydrophobicContact CB-CD1 4.09Å; L665-L670 HydrophobicContact CD1-CB 4.47Å; L665-I694 HydrophobicContact CD1-CD1 3.58Å; L665-I694 HydrophobicContact CD1-CG1 4.11Å; L665-W735 HydrophobicContact CB-CZ3 4.11Å; L665-R738 HydrophobicContact CD2-CB 4.21Å; L665-I739 HydrophobicContact CD2-CG1 4.03Å; L665-V742 HydrophobicContact CD2-CB 4.5Å; L665-V742 HydrophobicContact CD2-CG2 4.11Å
666	K	87.8	Confident	87.1	Confident	48 Å²	48	47.9 Å²	47.9	21%	0.209	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	113.4	-175.6	173.3	168.3	177.3	168.8	0	109.7	L628 A630 V631 V664 I669 Y671	L628-K666 WeakPolarHBondContact O-CE 3.24Å; L628-K666 PolarHBondContact O-NZ 3.5Å; A630-K666 HydrophobicContact CB-CG 3.94Å; A630-K666 WeakPolarHBondContact O-CE 3.29Å; A630-K666 WeakPolarHBondContact O-CG 3.3Å; V631-K666 CarbonylContact O-C 3.48Å; V631-K666 WeakPolarHBondContact O-CA 3.46Å; V664-K666 HydrophobicContact CG1-CB 4.34Å; K666-I669 PolarHBondContact N-O 2.92Å; K666-I669 PolarHBondContact O-N 3.19Å; K666-Y671 HydrophobicContact CB-CD2 4.14Å; K666-Y671 HydrophobicContact CB-CE2 3.93Å; K666-Y671 HydrophobicContact CG-CE2 4.41Å
667	G	86.3	Confident	86.2	Confident	11 Å²	11	49.3 Å²	49.3	11%	0.113	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-146.5	-160.6	0	0	0	0	0	111.7	V631 I669	V631-G667 PolarHBondContact O-N 3.08Å; G667-I669 PolarHBondContact O-N 3.45Å; G667-I669 VanDerWaalsContact O-N 3.07Å
668	M	87.8	Confident	85.2	Confident	15 Å²	15	55.4 Å²	55.4	7%	0.074	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	22.3	176.3	-67.2	-166	-70.1	0	0	114.7	I624 I694 H695 F746 S768	I624-M668 HydrophobicContact CD1-CB 3.91Å; I624-M668 WeakPolarHBondContact CD1-O 3.16Å; M668-I694 HydrophobicContact CB-CG1 4.37Å; M668-I694 VanDerWaalsContact O-CG1 3.3Å; M668-I694 WeakPolarHBondContact O-CG1 3.47Å; M668-I694 PolarHBondContact O-N 2.89Å; M668-H695 HydrophobicContact SD-CB 4.01Å; M668-F746 HydrophobicContact CE-CB 4.41Å; M668-F746 HydrophobicContact CG-CB 3.68Å; M668-F746 HydrophobicContact CG-CG 4.48Å; M668-F746 HydrophobicContact SD-CB 3.54Å; M668-F746 VanDerWaalsContact SD-CB 3.54Å; M668-S768 VanDerWaalsContact CE-O 3.23Å; M668-S768 WeakPolarHBondContact CE-O 3.36Å
669	I	89.6	Confident	83.6	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.6	-177.9	-57.9	158	0	0	0	110	V614 I624 K666 G667 Y671 A691	V614-I669 HydrophobicContact CG2-CD1 3.69Å; V614-I669 HydrophobicContact CG2-CG1 4.27Å; V614-I669 HydrophobicContact CG2-CG2 4.15Å; I624-I669 HydrophobicContact CB-CD1 4.03Å; I624-I669 HydrophobicContact CB-CG1 4.18Å; I624-I669 HydrophobicContact CD1-CG1 3.82Å; I624-I669 HydrophobicContact CG2-CD1 3.73Å; I624-I669 HydrophobicContact CG2-CG1 4.03Å; K666-I669 PolarHBondContact N-O 2.92Å; K666-I669 PolarHBondContact O-N 3.19Å; G667-I669 PolarHBondContact O-N 3.45Å; G667-I669 VanDerWaalsContact O-N 3.07Å; I669-Y671 HydrophobicContact CB-CD2 4.25Å; I669-Y671 HydrophobicContact CB-CE2 3.65Å; I669-Y671 HydrophobicContact CD1-CE2 4.49Å; I669-Y671 VanDerWaalsContact CD1-OH 3.27Å; I669-Y671 WeakPolarHBondContact CD1-OH 3.27Å; I669-Y671 HydrophobicContact CG2-CD1 3.98Å; I669-Y671 HydrophobicContact CG2-CD2 3.81Å; I669-Y671 HydrophobicContact CG2-CE1 3.68Å; I669-Y671 HydrophobicContact CG2-CE2 3.5Å; I669-Y671 HydrophobicContact CG2-CG 4.05Å; I669-Y671 VanDerWaalsContact CG2-CZ 3.44Å; I669-A691 HydrophobicContact CG2-CB 3.88Å
670	L	91.9	Very high	82	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	94.4	168.3	-178.6	67.5	0	0	0	108.7	A663 L665 L672 A691 V692 I694 L714 L724 W735 I739	A663-L670 HydrophobicContact CB-CD1 4.2Å; L665-L670 HydrophobicContact CB-CD1 4.09Å; L665-L670 HydrophobicContact CD1-CB 4.47Å; L670-L672 HydrophobicContact CD2-CD2 4.42Å; L670-L672 HydrophobicContact CG-CD2 4.2Å; L670-L672 HydrophobicContact CG-CG 4.45Å; L670-A691 CarbonylContact O-C 3.5Å; L670-A691 WeakPolarHBondContact O-CA 3.29Å; L670-V692 HydrophobicContact CB-CB 4.37Å; L670-V692 PolarHBondContact N-O 3.12Å; L670-V692 PolarHBondContact O-N 2.74Å; L670-I694 HydrophobicContact CB-CG2 4.01Å; L670-L714 HydrophobicContact CD2-CD2 4.08Å; L670-L724 HydrophobicContact CD2-CD1 4.17Å; L670-W735 HydrophobicContact CD1-CE3 4.42Å; L670-W735 HydrophobicContact CD1-CH2 4.28Å; L670-W735 HydrophobicContact CD1-CZ3 3.64Å; L670-I739 HydrophobicContact CD2-CD1 4.3Å
671	Y	89.1	Confident	80.7	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	140.7	172.8	-60.1	-87.5	0	0	0	109.7	V614 A663 V664 K666 I669 I683 L688 A691	V614-Y671 HydrophobicContact CG2-CE1 4.49Å; A663-Y671 WeakPolarHBondContact CA-O 3.47Å; V664-Y671 PolarHBondContact N-O 3.3Å; V664-Y671 PolarHBondContact O-N 3.01Å; K666-Y671 HydrophobicContact CB-CD2 4.14Å; K666-Y671 HydrophobicContact CB-CE2 3.93Å; K666-Y671 HydrophobicContact CG-CE2 4.41Å; I669-Y671 HydrophobicContact CB-CD2 4.25Å; I669-Y671 HydrophobicContact CB-CE2 3.65Å; I669-Y671 HydrophobicContact CD1-CE2 4.49Å; I669-Y671 VanDerWaalsContact CD1-OH 3.27Å; I669-Y671 WeakPolarHBondContact CD1-OH 3.27Å; I669-Y671 HydrophobicContact CG2-CD1 3.98Å; I669-Y671 HydrophobicContact CG2-CD2 3.81Å; I669-Y671 HydrophobicContact CG2-CE1 3.68Å; I669-Y671 HydrophobicContact CG2-CE2 3.5Å; I669-Y671 HydrophobicContact CG2-CG 4.05Å; I669-Y671 VanDerWaalsContact CG2-CZ 3.44Å; Y671-I683 HydrophobicContact CD1-CD1 4.3Å; Y671-I683 HydrophobicContact CD1-CG2 3.75Å; Y671-I683 HydrophobicContact CE1-CD1 3.77Å; Y671-I683 HydrophobicContact CE1-CG1 4.46Å; Y671-I683 HydrophobicContact CE1-CG2 3.8Å; Y671-I683 HydrophobicContact CE2-CD1 4.3Å; Y671-L688 HydrophobicContact CE1-CD2 4.1Å; Y671-A691 HydrophobicContact CD1-CB 3.96Å; Y671-A691 HydrophobicContact CE1-CB 4.45Å
672	L	89.5	Confident	79.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	83.8	-177.9	-66.9	177.2	0	0	0	109	R640 F661 Y662 A663 L670 N690 V692	R640-L672 VanDerWaalsContact CD-CD1 3.49Å; F661-L672 HydrophobicContact CB-CB 4.07Å; F661-L672 HydrophobicContact CB-CD2 4.24Å; F661-L672 HydrophobicContact CD1-CB 3.94Å; F661-L672 WeakPolarHBondContact CD1-O 3.5Å; F661-L672 HydrophobicContact CD2-CB 4.47Å; F661-L672 HydrophobicContact CG-CB 3.92Å; Y662-L672 CarbonylContact O-C 3.52Å; A663-L672 HydrophobicContact CB-CD2 3.65Å; L670-L672 HydrophobicContact CD2-CD2 4.42Å; L670-L672 HydrophobicContact CG-CD2 4.2Å; L670-L672 HydrophobicContact CG-CG 4.45Å; L672-N690 HydrophobicContact CB-CB 4.28Å; L672-N690 WeakPolarHBondContact O-CB 3.23Å; L672-V692 HydrophobicContact CD1-CG2 4.01Å
673	Q	87.6	Confident	78.2	Confident	20 Å²	20	59.2 Å²	59.2	9%	0.093	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	142.3	-178.2	-65	171.3	-24.3	0	0	110.7	F661 Y662 D687	F661-Q673 CarbonylContact C-O 3.58Å; F661-Q673 WeakPolarHBondContact CA-O 3.01Å; F661-Q673 WeakPolarHBondContact CB-O 3.08Å; F661-Q673 WeakPolarHBondContact CD1-O 3.44Å; Y662-Q673 PolarHBondContact N-O 3.25Å; Y662-Q673 PolarHBondContact O-N 3.47Å; Q673-D687 WeakPolarHBondContact CA-OD1 3.16Å; Q673-D687 HydrophobicContact CG-CB 4.28Å
674	K	80.3	Confident	77	Confident	119 Å²	119	61.6 Å²	61.6	52%	0.517	31%	0.314	S	S	.	.	S	Bend	trans	-85.9	-36.3	-179	-68.7	176.8	-170.4	161.3	0	113.4	F661	F661-K674 HydrophobicContact CD1-CG 4.12Å; F661-K674 HydrophobicContact CE1-CG 3.86Å
675	D	67.1	Low	75.9	Confident	132 Å²	132	67.3 Å²	67.3	71%	0.706	34%	0.34	S	S	*	.	S	Bend	trans	-98.3	-171.2	-169.6	-54.7	-59	0	0	0	110.7
676	E	65.9	Low	74.7	Confident	164 Å²	164	69.3 Å²	69.3	77%	0.766	36%	0.357	S	S	*	.			trans	-67.1	136.7	-179.3	-65.7	-175	145.7	0	0	112.3	R678	E676-R678 PolarHBondContact O-N 2.87Å
677	Y	62	Low	73.9	Confident	68 Å²	68	67.6 Å²	67.6	27%	0.267	35%	0.35	S	S	.	.			trans	-62	128.8	-179.7	-179.8	-127	0	0	0	111.9	Y662 V664 P679	Y662-Y677 HydrophobicContact CD1-CD1 4.43Å; Y662-Y677 AromaticContact CD1-CD2 3.56Å; Y662-Y677 HydrophobicContact CD1-CD2 3.56Å; Y662-Y677 HydrophobicContact CD1-CE2 4.32Å; Y662-Y677 AromaticContact CD1-CG 3.63Å; Y662-Y677 HydrophobicContact CD1-CG 3.63Å; Y662-Y677 AromaticContact CE1-CD1 3.57Å; Y662-Y677 HydrophobicContact CE1-CD1 3.57Å; Y662-Y677 AromaticContact CE1-CD2 3.37Å; Y662-Y677 HydrophobicContact CE1-CD2 3.37Å; Y662-Y677 HydrophobicContact CE1-CE1 4.04Å; Y662-Y677 AromaticContact CE1-CE2 3.88Å; Y662-Y677 HydrophobicContact CE1-CE2 3.88Å; Y662-Y677 AromaticContact CE1-CG 3.19Å; Y662-Y677 HydrophobicContact CE1-CG 3.19Å; Y662-Y677 HydrophobicContact CE2-CD1 4.46Å; Y662-Y677 HydrophobicContact CE2-CG 4.25Å; Y662-Y677 HydrophobicContact CG-CG 4.29Å; Y662-Y677 AromaticContact CZ-CD1 3.59Å; Y662-Y677 AromaticContact CZ-CG 3.55Å; Y662-Y677 WeakPolarHBondContact OH-CD1 3.4Å; V664-Y677 HydrophobicContact CG2-CD2 4.07Å; V664-Y677 HydrophobicContact CG2-CE2 3.7Å; Y677-P679 HydrophobicContact CD1-CG 4.28Å; Y677-P679 HydrophobicContact CE1-CG 3.76Å
678	R	64.9	Low	73.3	Confident	166 Å²	166	68.3 Å²	68.3	63%	0.626	35%	0.351	S	S	*	.			trans	-129.5	107.1	173.4	-69.8	179.1	-176.6	174.8	1.5	107.7	E676 D680 S681	E676-R678 PolarHBondContact O-N 2.87Å; R678-D680 PolarHBondContact O-N 2.88Å; R678-S681 WeakPolarHBondContact O-CB 3.43Å; R678-S681 PolarHBondContact O-N 3.32Å; R678-S681 VanDerWaalsContact O-N 3.12Å
679	P	59.7	Low	72.7	Confident	90 Å²	90	74 Å²	74	58%	0.584	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-38.3	-178.2	-26.5	33.8	0	0	0	113.1	Y677	Y677-P679 HydrophobicContact CD1-CG 4.28Å; Y677-P679 HydrophobicContact CE1-CG 3.76Å
680	D	58.3	Low	72.4	Confident	160 Å²	160	74.9 Å²	74.9	86%	0.856	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	7.6	-175.5	-40.8	-77.8	0	0	0	113.6	R678	R678-D680 PolarHBondContact O-N 2.88Å
681	S	65.5	Low	72.1	Confident	65 Å²	65	75.8 Å²	75.8	46%	0.455	39%	0.387	S	S	.	.	S	Bend	trans	-85.7	130.6	176.1	-175.4	0	0	0	0	110.9	R678	R678-S681 WeakPolarHBondContact O-CB 3.43Å; R678-S681 PolarHBondContact O-N 3.32Å; R678-S681 VanDerWaalsContact O-N 3.12Å
682	D	63	Low	72.1	Confident	127 Å²	127	75.9 Å²	75.9	68%	0.679	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-53.6	142.9	164.9	-77.1	-50.7	0	0	0	111	S684	D682-S684 PolarHBondContact O-N 2.99Å
683	I	68.1	Low	72	Confident	41 Å²	41	77.4 Å²	77.4	21%	0.21	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-70.3	116.8	179.9	-60.1	158.6	0	0	0	108.2	V626 Y671 D687 L688	V626-I683 HydrophobicContact CG1-CD1 4.22Å; Y671-I683 HydrophobicContact CD1-CD1 4.3Å; Y671-I683 HydrophobicContact CD1-CG2 3.75Å; Y671-I683 HydrophobicContact CE1-CD1 3.77Å; Y671-I683 HydrophobicContact CE1-CG1 4.46Å; Y671-I683 HydrophobicContact CE1-CG2 3.8Å; Y671-I683 HydrophobicContact CE2-CD1 4.3Å; I683-D687 HydrophobicContact CG2-CB 3.98Å; I683-L688 HydrophobicContact CG2-CD2 3.88Å; I683-L688 HydrophobicContact CG2-CG 4.13Å
684	S	68.9	Low	72.2	Confident	49 Å²	49	76.4 Å²	76.4	34%	0.343	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-74.1	158.1	-175.8	80.3	0	0	0	0	112.3	D682 A686 D687 L688	D682-S684 PolarHBondContact O-N 2.99Å; S684-A686 PolarHBondContact O-N 2.95Å; S684-A686 VanDerWaalsContact O-N 3.13Å; S684-A686 PolarHBondContact OG-N 3.36Å; S684-D687 VanDerWaalsContact CB-OD2 3.28Å; S684-D687 WeakPolarHBondContact CB-OD2 3.35Å; S684-D687 PolarHBondContact N-OD2 3.13Å; S684-D687 WeakPolarHBondContact O-CB 3.43Å; S684-D687 PolarHBondContact O-N 3.28Å; S684-D687 PolarHBondContact OG-N 3.41Å; S684-D687 PolarHBondContact OG-OD2 3.03Å; S684-L688 PolarHBondContact O-N 3.06Å
685	E	68.1	Low	72.7	Confident	130 Å²	130	70.8 Å²	70.8	61%	0.607	37%	0.365	S	S	*	.	H	α-helix	trans	-58	-26.2	171.6	-157.4	-156.8	142.6	0	0	112.1	K689	E685-K689 WeakPolarHBondContact O-CD 3.44Å; E685-K689 VanDerWaalsContact O-CG 3.27Å; E685-K689 WeakPolarHBondContact O-CG 3.33Å; E685-K689 PolarHBondContact O-N 3.16Å; E685-K689 WeakPolarHBondContact OE1-CE 3.38Å; E685-K689 IonicContact OE1-NZ 3.78Å; E685-K689 PolarHBondContact OE1-NZ 3.22Å
686	A	67.5	Low	73.9	Confident	42 Å²	42	64.6 Å²	64.6	35%	0.347	33%	0.332	S	S	.	.	H	α-helix	trans	-73.7	-28.6	174.6	0	0	0	0	0	112.8	S684 N690	S684-A686 PolarHBondContact O-N 2.95Å; S684-A686 VanDerWaalsContact O-N 3.13Å; S684-A686 PolarHBondContact OG-N 3.36Å; A686-N690 PolarHBondContact O-ND2 3.07Å
687	D	71	Confident	75.3	Confident	13 Å²	13	56.8 Å²	56.8	7%	0.07	30%	0.296	C	S	.	.	H	α-helix	trans	-81.2	-38.9	176.8	-54.3	-48.9	0	0	0	111.1	Q673 I683 S684 K689 N690 A691	Q673-D687 WeakPolarHBondContact CA-OD1 3.16Å; Q673-D687 HydrophobicContact CG-CB 4.28Å; I683-D687 HydrophobicContact CG2-CB 3.98Å; S684-D687 VanDerWaalsContact CB-OD2 3.28Å; S684-D687 WeakPolarHBondContact CB-OD2 3.35Å; S684-D687 PolarHBondContact N-OD2 3.13Å; S684-D687 WeakPolarHBondContact O-CB 3.43Å; S684-D687 PolarHBondContact O-N 3.28Å; S684-D687 PolarHBondContact OG-N 3.41Å; S684-D687 PolarHBondContact OG-OD2 3.03Å; D687-K689 VanDerWaalsContact C-N 3.25Å; D687-K689 PolarHBondContact O-N 3.36Å; D687-N690 CarbonylContact O-C 3.6Å; D687-N690 WeakPolarHBondContact O-CA 3.44Å; D687-N690 PolarHBondContact O-N 2.83Å; D687-A691 PolarHBondContact O-N 3.28Å
688	L	73.8	Confident	76.9	Confident	25 Å²	25	53.9 Å²	53.9	13%	0.131	28%	0.284	C	S	.	.	H	α-helix	trans	-54.3	-43.4	170.3	-65.5	177.3	0	0	0	111	A612 V614 V626 Y671 I683 S684 N690 A691	A612-L688 HydrophobicContact CB-CD1 4.44Å; V614-L688 HydrophobicContact CG2-CD2 4.04Å; V626-L688 HydrophobicContact CG2-CD2 3.89Å; Y671-L688 HydrophobicContact CE1-CD2 4.1Å; I683-L688 HydrophobicContact CG2-CD2 3.88Å; I683-L688 HydrophobicContact CG2-CG 4.13Å; S684-L688 PolarHBondContact O-N 3.06Å; L688-N690 PolarHBondContact O-N 3.25Å; L688-A691 PolarHBondContact O-N 3.31Å
689	K	74.7	Confident	78.5	Confident	134 Å²	134	46 Å²	46	58%	0.583	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-5.3	174.6	-70.3	169.2	-172.2	173	0	114.9	E685 D687	E685-K689 WeakPolarHBondContact O-CD 3.44Å; E685-K689 VanDerWaalsContact O-CG 3.27Å; E685-K689 WeakPolarHBondContact O-CG 3.33Å; E685-K689 PolarHBondContact O-N 3.16Å; E685-K689 WeakPolarHBondContact OE1-CE 3.38Å; E685-K689 IonicContact OE1-NZ 3.78Å; E685-K689 PolarHBondContact OE1-NZ 3.22Å; D687-K689 VanDerWaalsContact C-N 3.25Å; D687-K689 PolarHBondContact O-N 3.36Å
690	N	83.1	Confident	80.2	Confident	24 Å²	24	44.2 Å²	44.2	13%	0.128	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-15.9	176.1	-77.9	-81.5	0	0	0	113.6	R640 F661 L672 A686 D687 L688	R640-N690 PolarHBondContact NH1-O 2.67Å; R640-N690 PolarHBondContact NH2-OD1 3.21Å; F661-N690 HydrophobicContact CE1-CB 4.29Å; L672-N690 HydrophobicContact CB-CB 4.28Å; L672-N690 WeakPolarHBondContact O-CB 3.23Å; A686-N690 PolarHBondContact O-ND2 3.07Å; D687-N690 CarbonylContact O-C 3.6Å; D687-N690 WeakPolarHBondContact O-CA 3.44Å; D687-N690 PolarHBondContact O-N 2.83Å; L688-N690 PolarHBondContact O-N 3.25Å
691	A	86.3	Confident	82.1	Confident	18 Å²	18	42.2 Å²	42.2	15%	0.149	22%	0.223	C	C	.	.			trans	-60.8	153.1	-179.6	0	0	0	0	0	113	V614 I669 L670 Y671 D687 L688	V614-A691 HydrophobicContact CG1-CB 3.95Å; I669-A691 HydrophobicContact CG2-CB 3.88Å; L670-A691 CarbonylContact O-C 3.5Å; L670-A691 WeakPolarHBondContact O-CA 3.29Å; Y671-A691 HydrophobicContact CD1-CB 3.96Å; Y671-A691 HydrophobicContact CE1-CB 4.45Å; D687-A691 PolarHBondContact O-N 3.28Å; L688-A691 PolarHBondContact O-N 3.31Å
692	V	89.2	Confident	83.4	Confident	7 Å²	7	39.4 Å²	39.4	4%	0.042	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.6	179.5	-179.8	0	0	0	0	108.6	L670 L672 L714 T716 F722	L670-V692 HydrophobicContact CB-CB 4.37Å; L670-V692 PolarHBondContact N-O 3.12Å; L670-V692 PolarHBondContact O-N 2.74Å; L672-V692 HydrophobicContact CD1-CG2 4.01Å; V692-L714 HydrophobicContact CG1-CD2 4.08Å; V692-T716 HydrophobicContact CG1-CG2 3.72Å; V692-F722 HydrophobicContact CG1-CD2 4.05Å; V692-F722 HydrophobicContact CG1-CE2 3.66Å; V692-F722 HydrophobicContact CG1-CZ 4.4Å; V692-F722 HydrophobicContact CG2-CD2 4.37Å; V692-F722 HydrophobicContact CG2-CE1 4.43Å; V692-F722 HydrophobicContact CG2-CE2 3.98Å; V692-F722 HydrophobicContact CG2-CZ 4Å
693	R	87.9	Confident	84.8	Confident	31 Å²	31	39.1 Å²	39.1	12%	0.117	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130.8	172.3	-57.5	178.1	-64.7	-150.6	-7	108.6	V614 I622 I624 T716 D718	V614-R693 HydrophobicContact CG1-CG 4.46Å; I622-R693 WeakPolarHBondContact O-CD 3.35Å; I622-R693 PolarHBondContact O-NH1 3.36Å; I624-R693 HydrophobicContact CD1-CB 3.83Å; I624-R693 HydrophobicContact CD1-CG 3.91Å; I624-R693 HydrophobicContact CG1-CG 4.32Å; R693-T716 WeakPolarHBondContact O-CG2 3.46Å; R693-D718 IonicContact NH2-OD2 2.74Å; R693-D718 PolarHBondContact NH2-OD2 3.32Å
694	I	92	Very high	85.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.			trans	-110.9	8.8	-177.7	69.1	145.2	0	0	0	114.8	L665 M668 L670 H696 A697 I739 V742 A743	L665-I694 HydrophobicContact CD1-CD1 3.58Å; L665-I694 HydrophobicContact CD1-CG1 4.11Å; M668-I694 HydrophobicContact CB-CG1 4.37Å; M668-I694 VanDerWaalsContact O-CG1 3.3Å; M668-I694 WeakPolarHBondContact O-CG1 3.47Å; M668-I694 PolarHBondContact O-N 2.89Å; L670-I694 HydrophobicContact CB-CG2 4.01Å; I694-H696 PolarHBondContact O-N 2.76Å; I694-A697 HydrophobicContact CB-CB 4.08Å; I694-A697 WeakPolarHBondContact O-CB 3.44Å; I694-A697 PolarHBondContact O-N 2.92Å; I694-A697 VanDerWaalsContact O-N 3.1Å; I694-I739 HydrophobicContact CB-CG2 4.41Å; I694-I739 HydrophobicContact CD1-CG2 4.11Å; I694-I739 HydrophobicContact CG2-CG2 4.31Å; I694-V742 HydrophobicContact CD1-CB 3.99Å; I694-V742 HydrophobicContact CD1-CG1 3.8Å; I694-A743 HydrophobicContact CD1-CB 4.47Å; I694-A743 WeakPolarHBondContact O-CB 3.35Å
695	H	89.5	Confident	86.8	Confident	1 Å²	1	42 Å²	42	1%	0.005	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	133.2	169.6	62.6	-95.2	0	0	0	109.9	M668 A697 S717 P767 S768	M668-H695 HydrophobicContact SD-CB 4.01Å; H695-A697 PolarHBondContact O-N 3.26Å; H695-S717 VanDerWaalsContact CD2-CB 3.46Å; H695-S717 WeakPolarHBondContact CD2-CB 3.44Å; H695-S717 PolarHBondContact CD2-OG 2.75Å; H695-S717 PolarHBondContact NE2-OG 2.74Å; H695-S717 WeakPolarHBondContact O-CB 3.25Å; H695-S717 PolarHBondContact O-OG 3.34Å; H695-P767 PolarHBondContact CD2-O 3.11Å; H695-P767 VanDerWaalsContact CD2-O 3.23Å; H695-S768 WeakPolarHBondContact CE1-CB 3.44Å; H695-S768 WeakPolarHBondContact ND1-CB 3.47Å
696	H	91.9	Very high	87.8	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.009	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	19.3	-174.8	-54.7	-106.3	0	0	0	116	I694 S747 A748 L766 P767 R826 Y830	I694-H696 PolarHBondContact O-N 2.76Å; H696-S747 PolarHBondContact N-OG 2.91Å; H696-A748 PolarHBondContact CE1-O 3.4Å; H696-A748 PolarHBondContact NE2-O 3.34Å; H696-L766 HydrophobicContact CB-CB 4.27Å; H696-L766 HydrophobicContact CB-CD1 3.7Å; H696-P767 PolarHBondContact CD2-O 3.03Å; H696-P767 PolarHBondContact NE2-O 3.4Å; H696-R826 WeakPolarHBondContact O-CD 3.35Å; H696-R826 PolarHBondContact O-NH1 2.82Å; H696-Y830 VanDerWaalsContact C-OH 3.23Å; H696-Y830 WeakPolarHBondContact CA-OH 3.25Å
697	A	95.3	Very high	88.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.245	C	C	.	.			trans	-78.9	154.8	179.4	0	0	0	0	0	111.7	I694 H695 L714 K715 Y830	I694-A697 HydrophobicContact CB-CB 4.08Å; I694-A697 WeakPolarHBondContact O-CB 3.44Å; I694-A697 PolarHBondContact O-N 2.92Å; I694-A697 VanDerWaalsContact O-N 3.1Å; H695-A697 PolarHBondContact O-N 3.26Å; A697-L714 HydrophobicContact CB-CD1 3.91Å; A697-K715 CarbonylContact C-O 3.5Å; A697-K715 WeakPolarHBondContact CA-O 3.37Å; A697-K715 WeakPolarHBondContact CB-O 3.41Å; A697-Y830 PolarHBondContact N-OH 3.44Å; A697-Y830 PolarHBondContact O-OH 3.31Å
698	L	96.9	Very high	90	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123.5	171.8	-173.7	63.7	0	0	0	109.6	T700 K715 Y822 T825 R826 T829	L698-T700 HydrophobicContact CD2-CG2 4.14Å; L698-T700 HydrophobicContact CG-CG2 4.02Å; L698-K715 PolarHBondContact N-O 2.9Å; L698-K715 PolarHBondContact O-N 3.4Å; L698-Y822 HydrophobicContact CB-CE2 3.96Å; L698-Y822 WeakPolarHBondContact CB-OH 3.31Å; L698-Y822 HydrophobicContact CD2-CD2 4.34Å; L698-Y822 HydrophobicContact CD2-CE2 3.87Å; L698-T825 HydrophobicContact CD2-CG2 4.27Å; L698-R826 HydrophobicContact CB-CG 4.27Å; L698-R826 HydrophobicContact CD1-CG 4.35Å; L698-R826 HydrophobicContact CD2-CB 4.18Å; L698-T829 HydrophobicContact CD1-CG2 4Å
699	A	97.8	Very high	91	Very high	1 Å²	1	53 Å²	53	1%	0.008	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.3	168.3	0	0	0	0	0	109.9	L712 K713 L714 I736 I739 N740	A699-L712 HydrophobicContact CB-CD1 4.28Å; A699-K713 WeakPolarHBondContact CA-O 3.21Å; A699-L714 HydrophobicContact CB-CD1 4.29Å; A699-I736 HydrophobicContact CB-CB 4.4Å; A699-I736 HydrophobicContact CB-CG1 4.16Å; A699-I736 HydrophobicContact CB-CG2 4.43Å; A699-I739 HydrophobicContact CB-CB 4.3Å; A699-I739 HydrophobicContact CB-CG2 4.17Å; A699-N740 PolarHBondContact N-OD1 3.48Å; A699-N740 PolarHBondContact O-ND2 2.74Å
700	T	96.7	Very high	92	Very high	53 Å²	53	49.1 Å²	49.1	33%	0.325	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	166.3	173.8	59.9	0	0	0	0	111.4	L698 A702 L712 K713	L698-T700 HydrophobicContact CD2-CG2 4.14Å; L698-T700 HydrophobicContact CG-CG2 4.02Å; T700-A702 PolarHBondContact O-N 2.9Å; T700-L712 CarbonylContact O-C 3.59Å; T700-L712 VanDerWaalsContact O-CA 3.28Å; T700-L712 WeakPolarHBondContact O-CA 3.48Å; T700-L712 WeakPolarHBondContact O-CB 3.25Å; T700-K713 PolarHBondContact N-O 2.84Å; T700-K713 PolarHBondContact O-N 3.34Å
701	R	96.4	Very high	92.6	Very high	117 Å²	117	48.2 Å²	48.2	44%	0.442	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	130.7	169.8	-173.9	179.5	-168.8	130.6	8.8	109.5	T703 E729 M732	R701-T703 HydrophobicContact CB-CG2 4.39Å; R701-T703 HydrophobicContact CG-CG2 4.18Å; R701-T703 PolarHBondContact O-N 2.61Å; R701-E729 IonicContact CZ-OE1 3.16Å; R701-E729 IonicContact NH1-OE1 2.71Å; R701-E729 PolarHBondContact NH1-OE1 2.8Å; R701-E729 VanDerWaalsContact NH2-CD 3.29Å; R701-E729 IonicContact NH2-OE1 2.73Å; R701-E729 PolarHBondContact NH2-OE1 2.63Å; R701-E729 IonicContact NH2-OE2 3.26Å; R701-E729 PolarHBondContact NH2-OE2 3.19Å; R701-M732 HydrophobicContact CG-CE 3.95Å; R701-M732 HydrophobicContact CG-SD 4.27Å
702	A	94.1	Very high	93.1	Very high	7 Å²	7	47.4 Å²	47.4	6%	0.058	25%	0.248	C	C	.	.			trans	-78.1	68	178.9	0	0	0	0	0	111.6	T700 D704 Y705 V711 K713 L723	T700-A702 PolarHBondContact O-N 2.9Å; A702-D704 PolarHBondContact O-N 3.09Å; A702-Y705 PolarHBondContact O-N 3.01Å; A702-V711 HydrophobicContact CB-CB 4.14Å; A702-V711 HydrophobicContact CB-CG1 3.76Å; A702-V711 WeakPolarHBondContact CB-O 3.47Å; A702-V711 PolarHBondContact N-O 3.12Å; A702-K713 HydrophobicContact CB-CB 4.01Å; A702-L723 HydrophobicContact CB-CD2 4.16Å
703	T	91.8	Very high	93.5	Very high	120 Å²	120	50 Å²	50	74%	0.736	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.2	179.6	53.8	0	0	0	0	113.2	R701 Y705	R701-T703 HydrophobicContact CB-CG2 4.39Å; R701-T703 HydrophobicContact CG-CG2 4.18Å; R701-T703 PolarHBondContact O-N 2.61Å; T703-Y705 VanDerWaalsContact C-N 3.33Å
704	D	87.8	Confident	93.9	Very high	107 Å²	107	48.6 Å²	48.6	57%	0.572	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-1.4	172.3	60.2	-20.9	0	0	0	114.1	A702 K713	A702-D704 PolarHBondContact O-N 3.09Å; D704-K713 IonicContact OD1-NZ 3.85Å; D704-K713 IonicContact OD2-NZ 3.97Å; D704-K713 PolarHBondContact OD2-NZ 3.06Å
705	Y	90.5	Very high	94.1	Very high	43 Å²	43	49.5 Å²	49.5	17%	0.169	26%	0.258	C	S	.	.			trans	-122.7	89.8	-173.9	-164.3	-94.9	0	0	0	114.2	W658 A702 T703 K707 K708 V711 L723	W658-Y705 HydrophobicContact CH2-CE1 4.36Å; W658-Y705 AromaticContact CZ2-CE1 3.62Å; W658-Y705 HydrophobicContact CZ2-CE1 3.62Å; W658-Y705 AromaticContact CZ2-CZ 3.69Å; W658-Y705 WeakPolarHBondContact CZ2-OH 3.32Å; W658-Y705 PolarHBondContact NE1-OH 3Å; A702-Y705 PolarHBondContact O-N 3.01Å; T703-Y705 VanDerWaalsContact C-N 3.33Å; Y705-K707 HydrophobicContact CE1-CB 3.81Å; Y705-K707 HydrophobicContact CE2-CB 4.41Å; Y705-K707 HydrophobicContact CE2-CG 4.42Å; Y705-K707 PolarHBondContact O-N 3.38Å; Y705-K708 HydrophobicContact CE1-CB 4.15Å; Y705-V711 HydrophobicContact CD1-CB 4.3Å; Y705-V711 HydrophobicContact CD1-CG1 4.22Å; Y705-V711 HydrophobicContact CD1-CG2 4.02Å; Y705-V711 HydrophobicContact CE1-CG2 4.34Å; Y705-L723 HydrophobicContact CD1-CD1 4.44Å; Y705-L723 HydrophobicContact CD2-CD1 3.59Å; Y705-L723 HydrophobicContact CE2-CD1 3.81Å; Y705-L723 HydrophobicContact CG-CD1 3.92Å
706	S	89.6	Confident	94.2	Very high	119 Å²	119	49.6 Å²	49.6	83%	0.832	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-6.3	-178.4	57.3	0	0	0	0	116.4	K708	S706-K708 PolarHBondContact O-N 3.03Å
707	K	91.4	Very high	94	Very high	172 Å²	172	50.3 Å²	50.3	75%	0.748	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-12	-167.4	-53.3	-165.7	177.7	-161.6	0	115.4	Y705	Y705-K707 HydrophobicContact CE1-CB 3.81Å; Y705-K707 HydrophobicContact CE2-CB 4.41Å; Y705-K707 HydrophobicContact CE2-CG 4.42Å; Y705-K707 PolarHBondContact O-N 3.38Å
708	K	92.7	Very high	93.3	Very high	68 Å²	68	51.8 Å²	51.8	30%	0.296	27%	0.271	S	S	.	.	S	Bend	trans	-147.8	139.8	174.7	-80.2	171.1	159.6	-70.5	0	107.8	W658 Y705 S706 V711	W658-K708 HydrophobicContact CD2-CD 4.12Å; W658-K708 HydrophobicContact CH2-CD 4.23Å; W658-K708 HydrophobicContact CZ2-CD 3.72Å; Y705-K708 HydrophobicContact CE1-CB 4.15Å; S706-K708 PolarHBondContact O-N 3.03Å; K708-V711 HydrophobicContact CB-CG2 3.75Å; K708-V711 WeakPolarHBondContact O-CG2 3.36Å
709	P	94.9	Very high	92.8	Very high	83 Å²	83	52.3 Å²	52.3	54%	0.539	27%	0.273	S	S	.	.	S	Bend	trans	-72.5	165.1	171.6	34.5	-36.7	0	0	0	110.7	V711 Q725	P709-V711 VanDerWaalsContact C-N 3.31Å; P709-V711 PolarHBondContact O-N 3Å; P709-Q725 WeakPolarHBondContact O-CG 3.33Å; P709-Q725 PolarHBondContact O-NE2 2.91Å
710	H	95.7	Very high	92.4	Very high	52 Å²	52	54.5 Å²	54.5	24%	0.241	28%	0.281	C	S	.	.	S	Bend	trans	55.7	40.6	172.6	-38	-51.8	0	0	0	114	Q725 A726 E729 M732	H710-Q725 WeakPolarHBondContact O-CA 3.46Å; H710-A726 PolarHBondContact O-N 2.72Å; H710-E729 IonicContact CE1-OE2 3.89Å; H710-E729 PolarHBondContact ND1-N 3.26Å; H710-E729 IonicContact ND1-OE2 3.71Å; H710-M732 VanDerWaalsContact C-SD 3.5Å; H710-M732 HydrophobicContact CB-CB 4.29Å
711	V	97	Very high	92.2	Very high	6 Å²	6	53.1 Å²	53.1	4%	0.036	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.8	176	-179.8	0	0	0	0	110.4	W658 A702 Y705 K708 P709 L723 L724 Q725	W658-V711 HydrophobicContact CH2-CG1 4.1Å; W658-V711 HydrophobicContact CH2-CG2 4.09Å; A702-V711 HydrophobicContact CB-CB 4.14Å; A702-V711 HydrophobicContact CB-CG1 3.76Å; A702-V711 WeakPolarHBondContact CB-O 3.47Å; A702-V711 PolarHBondContact N-O 3.12Å; Y705-V711 HydrophobicContact CD1-CB 4.3Å; Y705-V711 HydrophobicContact CD1-CG1 4.22Å; Y705-V711 HydrophobicContact CD1-CG2 4.02Å; Y705-V711 HydrophobicContact CE1-CG2 4.34Å; K708-V711 HydrophobicContact CB-CG2 3.75Å; K708-V711 WeakPolarHBondContact O-CG2 3.36Å; P709-V711 VanDerWaalsContact C-N 3.31Å; P709-V711 PolarHBondContact O-N 3Å; V711-L723 HydrophobicContact CG1-CB 3.89Å; V711-L723 HydrophobicContact CG1-CD2 4.2Å; V711-L723 HydrophobicContact CG1-CG 4.47Å; V711-L724 WeakPolarHBondContact CA-O 3.18Å; V711-Q725 HydrophobicContact CG2-CB 4.07Å; V711-Q725 HydrophobicContact CG2-CG 3.96Å
712	L	97.2	Very high	92.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	152.4	165.2	69.1	100.1	0	0	0	111	A699 T700 L714 L723 L724 M732 W735 I736	A699-L712 HydrophobicContact CB-CD1 4.28Å; T700-L712 CarbonylContact O-C 3.59Å; T700-L712 VanDerWaalsContact O-CA 3.28Å; T700-L712 WeakPolarHBondContact O-CA 3.48Å; T700-L712 WeakPolarHBondContact O-CB 3.25Å; L712-L714 HydrophobicContact CD1-CB 4.37Å; L712-L723 WeakPolarHBondContact O-CA 3.49Å; L712-L724 HydrophobicContact CD1-CB 3.92Å; L712-L724 HydrophobicContact CD1-CD1 3.91Å; L712-L724 HydrophobicContact CD1-CG 4.49Å; L712-L724 HydrophobicContact CD2-CB 4.46Å; L712-L724 HydrophobicContact CG-CB 3.9Å; L712-L724 PolarHBondContact N-O 3.37Å; L712-L724 PolarHBondContact O-N 2.86Å; L712-M732 HydrophobicContact CB-CG 3.92Å; L712-M732 HydrophobicContact CD2-CG 4.17Å; L712-W735 HydrophobicContact CD2-CB 3.55Å; L712-W735 HydrophobicContact CD2-CG 4.48Å; L712-I736 HydrophobicContact CB-CD1 3.78Å; L712-I736 HydrophobicContact CB-CG1 3.68Å; L712-I736 HydrophobicContact CD2-CG1 4.24Å; L712-I736 HydrophobicContact CG-CG1 4.35Å
713	K	96.9	Very high	92.2	Very high	63 Å²	63	48.2 Å²	48.2	27%	0.274	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	104.9	-177.5	-178.2	175.3	-179.1	175.3	0	107.5	A699 T700 A702 D704 V721 L723	A699-K713 WeakPolarHBondContact CA-O 3.21Å; T700-K713 PolarHBondContact N-O 2.84Å; T700-K713 PolarHBondContact O-N 3.34Å; A702-K713 HydrophobicContact CB-CB 4.01Å; D704-K713 IonicContact OD1-NZ 3.85Å; D704-K713 IonicContact OD2-NZ 3.97Å; D704-K713 PolarHBondContact OD2-NZ 3.06Å; K713-V721 HydrophobicContact CG-CG1 4.01Å; K713-L723 HydrophobicContact CB-CD2 4.06Å; K713-L723 HydrophobicContact CG-CD2 4.09Å
714	L	96.7	Very high	92.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	120.7	175.6	175.7	61.5	0	0	0	108.9	L670 V692 A697 A699 L712 V721 F722 L724 I739	L670-L714 HydrophobicContact CD2-CD2 4.08Å; V692-L714 HydrophobicContact CG1-CD2 4.08Å; A697-L714 HydrophobicContact CB-CD1 3.91Å; A699-L714 HydrophobicContact CB-CD1 4.29Å; L712-L714 HydrophobicContact CD1-CB 4.37Å; L714-V721 WeakPolarHBondContact O-CA 3.19Å; L714-F722 HydrophobicContact CB-CB 4.43Å; L714-F722 PolarHBondContact N-O 2.86Å; L714-F722 PolarHBondContact O-N 2.91Å; L714-L724 HydrophobicContact CB-CD1 4Å; L714-L724 HydrophobicContact CD2-CD1 3.91Å; L714-I739 HydrophobicContact CD1-CG2 3.88Å
715	K	94.9	Very high	92.9	Very high	20 Å²	20	39 Å²	39	9%	0.087	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130	171.1	-179.4	176	158.9	-151.9	0	109.7	A697 L698 R720 V721 Y822	A697-K715 CarbonylContact C-O 3.5Å; A697-K715 WeakPolarHBondContact CA-O 3.37Å; A697-K715 WeakPolarHBondContact CB-O 3.41Å; L698-K715 PolarHBondContact N-O 2.9Å; L698-K715 PolarHBondContact O-N 3.4Å; K715-R720 WeakPolarHBondContact CA-O 3.46Å; K715-V721 HydrophobicContact CB-CG2 4.36Å; K715-V721 HydrophobicContact CD-CG2 4.36Å; K715-V721 HydrophobicContact CG-CG2 4.16Å; K715-Y822 HydrophobicContact CB-CE2 4.21Å; K715-Y822 HydrophobicContact CD-CD2 4.03Å; K715-Y822 HydrophobicContact CD-CE1 4.3Å; K715-Y822 HydrophobicContact CD-CE2 3.5Å; K715-Y822 HydrophobicContact CG-CE2 4.13Å; K715-Y822 VanDerWaalsContact NZ-CE1 3.35Å; K715-Y822 PolarHBondContact O-OH 2.93Å
716	T	92.3	Very high	93.2	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.018	19%	0.191	C	C	.	.			trans	-92.8	170.2	-174.9	48	0	0	0	0	112.8	V692 R693 D718 W719 R720 F722	V692-T716 HydrophobicContact CG1-CG2 3.72Å; R693-T716 WeakPolarHBondContact O-CG2 3.46Å; T716-D718 VanDerWaalsContact CB-OD1 3.32Å; T716-D718 WeakPolarHBondContact CB-OD1 3.42Å; T716-D718 PolarHBondContact O-N 2.82Å; T716-D718 PolarHBondContact OG1-OD1 3.37Å; T716-W719 PolarHBondContact O-N 2.86Å; T716-R720 PolarHBondContact N-O 2.98Å; T716-R720 WeakPolarHBondContact OG1-CB 3.23Å; T716-R720 PolarHBondContact OG1-N 2.77Å; T716-R720 PolarHBondContact OG1-O 2.98Å; T716-F722 HydrophobicContact CG2-CD2 4.5Å; T716-F722 HydrophobicContact CG2-CE2 4.14Å
717	S	86.6	Confident	93.5	Very high	16 Å²	16	35.5 Å²	35.5	11%	0.112	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-46	168.4	48.3	0	0	0	0	112.8	H695 W719	H695-S717 VanDerWaalsContact CD2-CB 3.46Å; H695-S717 WeakPolarHBondContact CD2-CB 3.44Å; H695-S717 PolarHBondContact CD2-OG 2.75Å; H695-S717 PolarHBondContact NE2-OG 2.74Å; H695-S717 WeakPolarHBondContact O-CB 3.25Å; H695-S717 PolarHBondContact O-OG 3.34Å; S717-W719 VanDerWaalsContact O-CD1 3.3Å; S717-W719 PolarHBondContact O-N 3.06Å
718	D	80.9	Confident	93.7	Very high	31 Å²	31	29 Å²	29	17%	0.166	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	25.7	178.8	72	-10.4	0	0	0	113.5	M646 R693 T716 R720	M646-D718 CarbonylContact C-O 3.51Å; M646-D718 WeakPolarHBondContact CA-O 3.41Å; M646-D718 HydrophobicContact CG-CB 3.87Å; M646-D718 WeakPolarHBondContact CG-O 3.44Å; M646-D718 HydrophobicContact SD-CB 4.26Å; R693-D718 IonicContact NH2-OD2 2.74Å; R693-D718 PolarHBondContact NH2-OD2 3.32Å; T716-D718 VanDerWaalsContact CB-OD1 3.32Å; T716-D718 WeakPolarHBondContact CB-OD1 3.42Å; T716-D718 PolarHBondContact O-N 2.82Å; T716-D718 PolarHBondContact OG1-OD1 3.37Å; D718-R720 PolarHBondContact O-N 2.83Å; D718-R720 WeakPolarHBondContact OD1-CD 3.28Å; D718-R720 WeakPolarHBondContact OD1-CG 3.21Å; D718-R720 IonicContact OD1-NE 2.67Å; D718-R720 IonicContact OD2-CZ 3.62Å; D718-R720 IonicContact OD2-NE 2.73Å; D718-R720 PolarHBondContact OD2-NE 2.76Å; D718-R720 IonicContact OD2-NH2 2.58Å; D718-R720 PolarHBondContact OD2-NH2 2.94Å
719	W	86.3	Confident	93.8	Very high	17 Å²	17	29.4 Å²	29.4	6%	0.064	16%	0.157	C	C	.	.			trans	57.8	7.2	169.9	-80.4	64.7	0	0	0	117.5	T716 S717 R763 H818 Y819 Y822	T716-W719 PolarHBondContact O-N 2.86Å; S717-W719 VanDerWaalsContact O-CD1 3.3Å; S717-W719 PolarHBondContact O-N 3.06Å; W719-R763 VanDerWaalsContact CD2-CZ 3.48Å; W719-R763 VanDerWaalsContact CG-NH1 3.29Å; W719-H818 AromaticContact CH2-ND1 3.98Å; W719-H818 AromaticContact CZ3-CE1 3.65Å; W719-H818 AromaticContact CZ3-ND1 3.67Å; W719-Y819 HydrophobicContact CH2-CD2 4.44Å; W719-Y819 AromaticContact CZ2-CD2 3.58Å; W719-Y819 HydrophobicContact CZ2-CD2 3.58Å; W719-Y819 HydrophobicContact CZ2-CE2 4.38Å; W719-Y819 HydrophobicContact CZ2-CG 4.33Å; W719-Y822 AromaticContact CZ2-CD1 3.91Å; W719-Y822 HydrophobicContact CZ2-CD1 3.91Å; W719-Y822 HydrophobicContact CZ2-CG 4.46Å
720	R	89.8	Confident	93.8	Very high	48 Å²	48	32.8 Å²	32.8	18%	0.181	17%	0.166	C	C	.	.			trans	-59.8	150.1	167.1	-54.4	172.6	-170.5	-138.8	-2.3	109.8	D616 A644 M646 K715 T716 D718 F722	D616-R720 IonicContact OD2-CZ 3.21Å; D616-R720 IonicContact OD2-NH1 2.65Å; D616-R720 PolarHBondContact OD2-NH1 2.69Å; D616-R720 IonicContact OD2-NH2 3.73Å; D616-R720 PolarHBondContact OD2-NH2 2.88Å; A644-R720 WeakPolarHBondContact O-CA 3.34Å; M646-R720 HydrophobicContact CB-CG 4.27Å; M646-R720 PolarHBondContact SD-NH2 3.31Å; M646-R720 VanDerWaalsContact SD-NH2 3.44Å; K715-R720 WeakPolarHBondContact CA-O 3.46Å; T716-R720 PolarHBondContact N-O 2.98Å; T716-R720 WeakPolarHBondContact OG1-CB 3.23Å; T716-R720 PolarHBondContact OG1-N 2.77Å; T716-R720 PolarHBondContact OG1-O 2.98Å; D718-R720 PolarHBondContact O-N 2.83Å; D718-R720 WeakPolarHBondContact OD1-CD 3.28Å; D718-R720 WeakPolarHBondContact OD1-CG 3.21Å; D718-R720 IonicContact OD1-NE 2.67Å; D718-R720 IonicContact OD2-CZ 3.62Å; D718-R720 IonicContact OD2-NE 2.73Å; D718-R720 PolarHBondContact OD2-NE 2.76Å; D718-R720 IonicContact OD2-NH2 2.58Å; D718-R720 PolarHBondContact OD2-NH2 2.94Å; R720-F722 HydrophobicContact CB-CE2 3.95Å; R720-F722 HydrophobicContact CB-CZ 4.22Å
721	V	92.9	Very high	93.8	Very high	23 Å²	23	32.8 Å²	32.8	14%	0.139	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.9	177.2	-179.3	0	0	0	0	110	D643 A644 K713 L714 K715	D643-V721 PolarHBondContact N-O 2.92Å; A644-V721 HydrophobicContact CB-CB 3.84Å; A644-V721 HydrophobicContact CB-CG2 3.97Å; A644-V721 PolarHBondContact N-O 3.31Å; A644-V721 VanDerWaalsContact N-O 3.16Å; A644-V721 PolarHBondContact O-N 3.47Å; K713-V721 HydrophobicContact CG-CG1 4.01Å; L714-V721 WeakPolarHBondContact O-CA 3.19Å; K715-V721 HydrophobicContact CB-CG2 4.36Å; K715-V721 HydrophobicContact CD-CG2 4.36Å; K715-V721 HydrophobicContact CG-CG2 4.16Å
722	F	94.8	Very high	93.7	Very high	14 Å²	14	32.5 Å²	32.5	6%	0.061	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.2	173.4	-55.8	-79.2	0	0	0	109.9	R640 V692 L714 T716 R720	R640-F722 HydrophobicContact CG-CD1 4.14Å; V692-F722 HydrophobicContact CG1-CD2 4.05Å; V692-F722 HydrophobicContact CG1-CE2 3.66Å; V692-F722 HydrophobicContact CG1-CZ 4.4Å; V692-F722 HydrophobicContact CG2-CD2 4.37Å; V692-F722 HydrophobicContact CG2-CE1 4.43Å; V692-F722 HydrophobicContact CG2-CE2 3.98Å; V692-F722 HydrophobicContact CG2-CZ 4Å; L714-F722 HydrophobicContact CB-CB 4.43Å; L714-F722 PolarHBondContact N-O 2.86Å; L714-F722 PolarHBondContact O-N 2.91Å; T716-F722 HydrophobicContact CG2-CD2 4.5Å; T716-F722 HydrophobicContact CG2-CE2 4.14Å; R720-F722 HydrophobicContact CB-CE2 3.95Å; R720-F722 HydrophobicContact CB-CZ 4.22Å
723	L	96.1	Very high	93.7	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.3	164	-60.9	-179.1	0	0	0	108.1	R640 K641 D643 W658 A702 Y705 V711 L712 K713	R640-L723 CarbonylContact C-O 3.6Å; R640-L723 WeakPolarHBondContact CA-O 3.5Å; K641-L723 PolarHBondContact N-O 3.06Å; K641-L723 PolarHBondContact O-N 2.97Å; D643-L723 HydrophobicContact CB-CG 4.47Å; W658-L723 HydrophobicContact CH2-CB 3.67Å; W658-L723 HydrophobicContact CZ2-CB 4.39Å; W658-L723 HydrophobicContact CZ3-CB 4.22Å; W658-L723 WeakPolarHBondContact CZ3-O 3.47Å; A702-L723 HydrophobicContact CB-CD2 4.16Å; Y705-L723 HydrophobicContact CD1-CD1 4.44Å; Y705-L723 HydrophobicContact CD2-CD1 3.59Å; Y705-L723 HydrophobicContact CE2-CD1 3.81Å; Y705-L723 HydrophobicContact CG-CD1 3.92Å; V711-L723 HydrophobicContact CG1-CB 3.89Å; V711-L723 HydrophobicContact CG1-CD2 4.2Å; V711-L723 HydrophobicContact CG1-CG 4.47Å; L712-L723 WeakPolarHBondContact O-CA 3.49Å; K713-L723 HydrophobicContact CB-CD2 4.06Å; K713-L723 HydrophobicContact CG-CD2 4.09Å
724	L	96.7	Very high	93.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115.1	-177.7	-70	162.8	0	0	0	107.9	L638 T639 R640 L670 V711 L712 L714	L638-L724 HydrophobicContact CB-CD2 4.3Å; L638-L724 HydrophobicContact CD1-CB 4.42Å; L638-L724 HydrophobicContact CD1-CD1 4.38Å; L638-L724 HydrophobicContact CD1-CD2 4.14Å; T639-L724 CarbonylContact O-C 3.54Å; T639-L724 WeakPolarHBondContact O-CA 3.31Å; R640-L724 HydrophobicContact CB-CD2 3.61Å; R640-L724 HydrophobicContact CG-CD2 3.94Å; L670-L724 HydrophobicContact CD2-CD1 4.17Å; V711-L724 WeakPolarHBondContact CA-O 3.18Å; L712-L724 HydrophobicContact CD1-CB 3.92Å; L712-L724 HydrophobicContact CD1-CD1 3.91Å; L712-L724 HydrophobicContact CD1-CG 4.49Å; L712-L724 HydrophobicContact CD2-CB 4.46Å; L712-L724 HydrophobicContact CG-CB 3.9Å; L712-L724 PolarHBondContact N-O 3.37Å; L712-L724 PolarHBondContact O-N 2.86Å; L714-L724 HydrophobicContact CB-CD1 4Å; L714-L724 HydrophobicContact CD2-CD1 3.91Å
725	Q	97.1	Very high	93.6	Very high	33 Å²	33	32.1 Å²	32.1	15%	0.154	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124	174.1	-164.6	-162.4	-9.7	0	0	109.6	T639 W658 P709 H710 V711	T639-Q725 PolarHBondContact N-O 3.09Å; T639-Q725 PolarHBondContact O-N 3.31Å; W658-Q725 HydrophobicContact CH2-CB 4.44Å; W658-Q725 HydrophobicContact CZ3-CB 4.04Å; P709-Q725 WeakPolarHBondContact O-CG 3.33Å; P709-Q725 PolarHBondContact O-NE2 2.91Å; H710-Q725 WeakPolarHBondContact O-CA 3.46Å; V711-Q725 HydrophobicContact CG2-CB 4.07Å; V711-Q725 HydrophobicContact CG2-CG 3.96Å
726	A	96.9	Very high	93.7	Very high	3 Å²	3	32.3 Å²	32.3	3%	0.025	17%	0.167	C	C	.	.			trans	-92.3	167.3	172.4	0	0	0	0	0	111.9	L638 H710 E731 M732	L638-A726 HydrophobicContact CD2-CB 4.03Å; H710-A726 PolarHBondContact O-N 2.72Å; A726-E731 HydrophobicContact CB-CB 4.02Å; A726-M732 HydrophobicContact CB-CB 3.94Å
727	P	95.5	Very high	93.9	Very high	85 Å²	85	32.6 Å²	32.6	55%	0.552	17%	0.168	S	C	*	.	S	Bend	trans	-69.8	-36.9	178.1	-20.6	34.4	0	0	0	114.1
728	S	96.3	Very high	94.3	Very high	37 Å²	37	32.9 Å²	32.9	26%	0.259	17%	0.167	S	C	.	.	S	Bend	trans	-137.1	172	-177.7	69.3	0	0	0	0	111.7	E731 M732	S728-E731 PolarHBondContact OG-N 3.45Å; S728-E731 VanDerWaalsContact OG-N 3.1Å; S728-M732 PolarHBondContact O-N 3.16Å
729	E	94.7	Very high	95.1	Very high	75 Å²	75	31.4 Å²	31.4	35%	0.35	16%	0.159	S	C	.	.	H	α-helix	trans	-67.6	-40.8	174.7	-170.2	138.8	170	0	0	112.2	R701 H710 M732 L733	R701-E729 IonicContact CZ-OE1 3.16Å; R701-E729 IonicContact NH1-OE1 2.71Å; R701-E729 PolarHBondContact NH1-OE1 2.8Å; R701-E729 VanDerWaalsContact NH2-CD 3.29Å; R701-E729 IonicContact NH2-OE1 2.73Å; R701-E729 PolarHBondContact NH2-OE1 2.63Å; R701-E729 IonicContact NH2-OE2 3.26Å; R701-E729 PolarHBondContact NH2-OE2 3.19Å; H710-E729 IonicContact CE1-OE2 3.89Å; H710-E729 PolarHBondContact ND1-N 3.26Å; H710-E729 IonicContact ND1-OE2 3.71Å; E729-M732 HydrophobicContact CG-CE 4.25Å; E729-M732 WeakPolarHBondContact O-CB 3.27Å; E729-M732 PolarHBondContact O-N 3.26Å; E729-L733 HydrophobicContact CG-CD1 4.37Å; E729-L733 WeakPolarHBondContact O-CG 3.36Å; E729-L733 PolarHBondContact O-N 2.81Å
730	E	93.9	Very high	95.6	Very high	155 Å²	155	30.9 Å²	30.9	72%	0.724	16%	0.158	S	C	*	.	H	α-helix	trans	-58.5	-48.3	173.8	-64.8	159.7	176.4	0	0	111	M732 L733 S734	E730-M732 VanDerWaalsContact C-N 3.35Å; E730-M732 PolarHBondContact O-N 3.13Å; E730-L733 PolarHBondContact O-N 3.48Å; E730-S734 VanDerWaalsContact O-CB 3.3Å; E730-S734 WeakPolarHBondContact O-CB 3.48Å; E730-S734 PolarHBondContact O-N 3.37Å
731	E	95.4	Very high	95.8	Very high	51 Å²	51	28.7 Å²	28.7	24%	0.238	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-42	174.8	-88.8	-66.9	112.4	0	0	111.8	K634 A726 S728 L733 S734 W735	K634-E731 WeakPolarHBondContact CE-OE1 3.17Å; K634-E731 VanDerWaalsContact CE-OE2 3.26Å; K634-E731 WeakPolarHBondContact CE-OE2 3.38Å; K634-E731 IonicContact NZ-OE1 2.68Å; K634-E731 PolarHBondContact NZ-OE1 3.02Å; K634-E731 IonicContact NZ-OE2 2.72Å; K634-E731 PolarHBondContact NZ-OE2 3.24Å; A726-E731 HydrophobicContact CB-CB 4.02Å; S728-E731 PolarHBondContact OG-N 3.45Å; S728-E731 VanDerWaalsContact OG-N 3.1Å; E731-L733 VanDerWaalsContact C-N 3.34Å; E731-L733 PolarHBondContact O-N 2.89Å; E731-S734 PolarHBondContact O-N 3.31Å; E731-W735 WeakPolarHBondContact O-CB 3.28Å; E731-W735 PolarHBondContact O-N 3Å; E731-W735 PolarHBondContact OE2-NE1 2.86Å
732	M	96.7	Very high	95.9	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-44.8	176.8	-177.1	-164	66.9	0	0	111.6	R701 H710 L712 A726 S728 E729 E730 I736	R701-M732 HydrophobicContact CG-CE 3.95Å; R701-M732 HydrophobicContact CG-SD 4.27Å; H710-M732 VanDerWaalsContact C-SD 3.5Å; H710-M732 HydrophobicContact CB-CB 4.29Å; L712-M732 HydrophobicContact CB-CG 3.92Å; L712-M732 HydrophobicContact CD2-CG 4.17Å; A726-M732 HydrophobicContact CB-CB 3.94Å; S728-M732 PolarHBondContact O-N 3.16Å; E729-M732 HydrophobicContact CG-CE 4.25Å; E729-M732 WeakPolarHBondContact O-CB 3.27Å; E729-M732 PolarHBondContact O-N 3.26Å; E730-M732 VanDerWaalsContact C-N 3.35Å; E730-M732 PolarHBondContact O-N 3.13Å; M732-I736 HydrophobicContact CG-CD1 4.17Å; M732-I736 WeakPolarHBondContact O-CD1 3.5Å; M732-I736 VanDerWaalsContact O-CG1 3.28Å; M732-I736 WeakPolarHBondContact O-CG1 3.47Å; M732-I736 PolarHBondContact O-N 3.14Å
733	L	95.6	Very high	95.9	Very high	48 Å²	48	27 Å²	27	25%	0.251	14%	0.14	S	C	.	.	H	α-helix	trans	-66.8	-41.9	177.3	-68.1	171.7	0	0	0	111.4	E729 E730 E731 W735 I736 F737 L853	E729-L733 HydrophobicContact CG-CD1 4.37Å; E729-L733 WeakPolarHBondContact O-CG 3.36Å; E729-L733 PolarHBondContact O-N 2.81Å; E730-L733 PolarHBondContact O-N 3.48Å; E731-L733 VanDerWaalsContact C-N 3.34Å; E731-L733 PolarHBondContact O-N 2.89Å; L733-W735 PolarHBondContact O-N 3.25Å; L733-I736 WeakPolarHBondContact O-CB 3.42Å; L733-I736 PolarHBondContact O-N 3.09Å; L733-F737 WeakPolarHBondContact O-CB 3.49Å; L733-F737 PolarHBondContact O-N 3.32Å; L733-L853 HydrophobicContact CB-CD1 4.37Å; L733-L853 HydrophobicContact CB-CD2 4.04Å
734	S	95.5	Very high	95.8	Very high	7 Å²	7	26.7 Å²	26.7	5%	0.049	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-44.9	175.6	-173.6	0	0	0	0	112.6	K634 E730 E731 F737 R738 E849	K634-S734 VanDerWaalsContact CE-OG 3.26Å; K634-S734 WeakPolarHBondContact CE-OG 3.46Å; K634-S734 PolarHBondContact NZ-OG 2.97Å; E730-S734 VanDerWaalsContact O-CB 3.3Å; E730-S734 WeakPolarHBondContact O-CB 3.48Å; E730-S734 PolarHBondContact O-N 3.37Å; E731-S734 PolarHBondContact O-N 3.31Å; S734-F737 PolarHBondContact O-N 3.21Å; S734-R738 WeakPolarHBondContact O-CB 3.35Å; S734-R738 VanDerWaalsContact O-CG 3.31Å; S734-R738 WeakPolarHBondContact O-CG 3.28Å; S734-R738 PolarHBondContact O-N 2.94Å; S734-E849 WeakPolarHBondContact CA-OE1 3.11Å; S734-E849 WeakPolarHBondContact CB-OE1 3.44Å; S734-E849 PolarHBondContact OG-OE1 3.37Å
735	W	97.1	Very high	95.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.7	-38.5	174.1	-81.5	107	0	0	0	112.7	K634 L638 A663 L665 L670 L712 E731 L733 I739	K634-W735 HydrophobicContact CB-CE3 4.44Å; K634-W735 HydrophobicContact CB-CH2 4.21Å; K634-W735 HydrophobicContact CB-CZ3 4.11Å; K634-W735 HydrophobicContact CD-CD2 3.68Å; K634-W735 HydrophobicContact CD-CE3 4.03Å; K634-W735 HydrophobicContact CD-CG 4Å; K634-W735 HydrophobicContact CD-CH2 4.5Å; K634-W735 HydrophobicContact CD-CZ2 4.18Å; K634-W735 HydrophobicContact CD-CZ3 4.42Å; K634-W735 VanDerWaalsContact CE-NE1 3.28Å; K634-W735 HydrophobicContact CG-CD2 4.32Å; K634-W735 HydrophobicContact CG-CE3 4.4Å; K634-W735 HydrophobicContact CG-CH2 4.09Å; K634-W735 HydrophobicContact CG-CZ2 3.99Å; K634-W735 HydrophobicContact CG-CZ3 4.29Å; L638-W735 HydrophobicContact CD1-CD2 3.9Å; L638-W735 HydrophobicContact CD1-CE3 4.13Å; L638-W735 HydrophobicContact CD1-CG 4.35Å; L638-W735 HydrophobicContact CD1-CH2 4.46Å; L638-W735 HydrophobicContact CD1-CZ2 4.25Å; L638-W735 HydrophobicContact CD1-CZ3 4.41Å; L638-W735 HydrophobicContact CD2-CD2 4.39Å; L638-W735 HydrophobicContact CD2-CG 4.18Å; L638-W735 HydrophobicContact CG-CD2 4.39Å; L638-W735 HydrophobicContact CG-CZ2 4.31Å; A663-W735 HydrophobicContact CB-CH2 3.63Å; A663-W735 HydrophobicContact CB-CZ2 3.93Å; A663-W735 HydrophobicContact CB-CZ3 4.33Å; L665-W735 HydrophobicContact CB-CZ3 4.11Å; L670-W735 HydrophobicContact CD1-CE3 4.42Å; L670-W735 HydrophobicContact CD1-CH2 4.28Å; L670-W735 HydrophobicContact CD1-CZ3 3.64Å; L712-W735 HydrophobicContact CD2-CB 3.55Å; L712-W735 HydrophobicContact CD2-CG 4.48Å; E731-W735 WeakPolarHBondContact O-CB 3.28Å; E731-W735 PolarHBondContact O-N 3Å; E731-W735 PolarHBondContact OE2-NE1 2.86Å; L733-W735 PolarHBondContact O-N 3.25Å; W735-I739 HydrophobicContact CE3-CD1 4.25Å; W735-I739 HydrophobicContact CE3-CG1 4.49Å; W735-I739 WeakPolarHBondContact O-CB 3.45Å; W735-I739 WeakPolarHBondContact O-CD1 3.27Å; W735-I739 WeakPolarHBondContact O-CG1 3.19Å; W735-I739 PolarHBondContact O-N 2.91Å; W735-I739 VanDerWaalsContact O-N 3.15Å
736	I	96.9	Very high	95.2	Very high	23 Å²	23	29.1 Å²	29.1	12%	0.118	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-50.9	173.4	-73.3	163.6	0	0	0	110.4	A699 L712 M732 L733 N740	A699-I736 HydrophobicContact CB-CB 4.4Å; A699-I736 HydrophobicContact CB-CG1 4.16Å; A699-I736 HydrophobicContact CB-CG2 4.43Å; L712-I736 HydrophobicContact CB-CD1 3.78Å; L712-I736 HydrophobicContact CB-CG1 3.68Å; L712-I736 HydrophobicContact CD2-CG1 4.24Å; L712-I736 HydrophobicContact CG-CG1 4.35Å; M732-I736 HydrophobicContact CG-CD1 4.17Å; M732-I736 WeakPolarHBondContact O-CD1 3.5Å; M732-I736 VanDerWaalsContact O-CG1 3.28Å; M732-I736 WeakPolarHBondContact O-CG1 3.47Å; M732-I736 PolarHBondContact O-N 3.14Å; L733-I736 WeakPolarHBondContact O-CB 3.42Å; L733-I736 PolarHBondContact O-N 3.09Å; I736-N740 WeakPolarHBondContact O-CB 3.33Å; I736-N740 VanDerWaalsContact O-CG 3.25Å; I736-N740 PolarHBondContact O-N 2.85Å; I736-N740 PolarHBondContact O-ND2 3.07Å
737	F	96.2	Very high	94.8	Very high	9 Å²	9	29 Å²	29	4%	0.039	15%	0.149	C	C	.	.	H	α-helix	trans	-58.2	-54.7	-179.7	176.7	-94	0	0	0	111.7	L733 S734 I739 N740 L741 L833 I848 E849 V852	L733-F737 WeakPolarHBondContact O-CB 3.49Å; L733-F737 PolarHBondContact O-N 3.32Å; S734-F737 PolarHBondContact O-N 3.21Å; F737-I739 PolarHBondContact O-N 3.46Å; F737-N740 PolarHBondContact O-N 3.48Å; F737-L741 HydrophobicContact CE1-CD2 3.76Å; F737-L741 HydrophobicContact CZ-CD2 3.83Å; F737-L741 VanDerWaalsContact O-CB 3.31Å; F737-L741 WeakPolarHBondContact O-CB 3.42Å; F737-L741 PolarHBondContact O-N 3.43Å; F737-L833 HydrophobicContact CD2-CD2 3.62Å; F737-L833 HydrophobicContact CE2-CD2 3.5Å; F737-I848 HydrophobicContact CZ-CB 4.28Å; F737-I848 HydrophobicContact CZ-CG2 3.91Å; F737-E849 HydrophobicContact CD1-CB 3.74Å; F737-E849 HydrophobicContact CD1-CG 3.64Å; F737-E849 HydrophobicContact CE1-CB 3.51Å; F737-E849 HydrophobicContact CE1-CG 3.98Å; F737-E849 HydrophobicContact CG-CB 4.41Å; F737-E849 HydrophobicContact CG-CG 4.03Å; F737-E849 HydrophobicContact CZ-CB 4Å; F737-V852 HydrophobicContact CD2-CB 4.4Å; F737-V852 HydrophobicContact CD2-CG1 4.19Å; F737-V852 HydrophobicContact CE2-CB 3.92Å; F737-V852 HydrophobicContact CE2-CG1 4.07Å; F737-V852 HydrophobicContact CE2-CG2 4.03Å
738	R	95.8	Very high	94.2	Very high	23 Å²	23	25.4 Å²	25.4	9%	0.087	13%	0.126	C	C	.	.	H	α-helix	trans	-64.5	-40.2	-176	-66.3	-73.6	176.8	123.8	-1.7	112.6	Y633 K634 L665 S734 V742 L845 E846 E849	Y633-R738 WeakPolarHBondContact O-CD 3.4Å; Y633-R738 PolarHBondContact O-NH1 3.04Å; K634-R738 HydrophobicContact CB-CB 4.19Å; K634-R738 HydrophobicContact CB-CG 4.1Å; K634-R738 HydrophobicContact CD-CG 4.15Å; L665-R738 HydrophobicContact CD2-CB 4.21Å; S734-R738 WeakPolarHBondContact O-CB 3.35Å; S734-R738 VanDerWaalsContact O-CG 3.31Å; S734-R738 WeakPolarHBondContact O-CG 3.28Å; S734-R738 PolarHBondContact O-N 2.94Å; R738-V742 WeakPolarHBondContact O-CB 3.43Å; R738-V742 VanDerWaalsContact O-CG2 3.24Å; R738-V742 WeakPolarHBondContact O-CG2 3.43Å; R738-V742 PolarHBondContact O-N 2.85Å; R738-V742 VanDerWaalsContact O-N 3.16Å; R738-L845 VanDerWaalsContact CZ-CB 3.49Å; R738-L845 PolarHBondContact NH2-O 3.28Å; R738-E846 VanDerWaalsContact NH2-CG 3.3Å; R738-E849 IonicContact CZ-OE2 3.78Å; R738-E849 IonicContact NE-OE2 2.67Å; R738-E849 PolarHBondContact NE-OE2 3.06Å; R738-E849 IonicContact NH2-OE2 3.99Å; R738-E849 PolarHBondContact NH2-OE2 3.23Å
739	I	96.6	Very high	93.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.2	-47	176.4	-68.7	168.9	0	0	0	110.6	L665 L670 I694 A699 L714 W735 F737 A743	L665-I739 HydrophobicContact CD2-CG1 4.03Å; L670-I739 HydrophobicContact CD2-CD1 4.3Å; I694-I739 HydrophobicContact CB-CG2 4.41Å; I694-I739 HydrophobicContact CD1-CG2 4.11Å; I694-I739 HydrophobicContact CG2-CG2 4.31Å; A699-I739 HydrophobicContact CB-CB 4.3Å; A699-I739 HydrophobicContact CB-CG2 4.17Å; L714-I739 HydrophobicContact CD1-CG2 3.88Å; W735-I739 HydrophobicContact CE3-CD1 4.25Å; W735-I739 HydrophobicContact CE3-CG1 4.49Å; W735-I739 WeakPolarHBondContact O-CB 3.45Å; W735-I739 WeakPolarHBondContact O-CD1 3.27Å; W735-I739 WeakPolarHBondContact O-CG1 3.19Å; W735-I739 PolarHBondContact O-N 2.91Å; W735-I739 VanDerWaalsContact O-N 3.15Å; F737-I739 PolarHBondContact O-N 3.46Å; I739-A743 WeakPolarHBondContact O-CB 3.33Å; I739-A743 PolarHBondContact O-N 3.45Å
740	N	97.1	Very high	91.8	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.032	13%	0.126	C	C	.	.	H	α-helix	trans	-68.3	-38.3	-177.8	-70	-16.2	0	0	0	112.4	A699 I736 F737 A743 A744 T829 L833	A699-N740 PolarHBondContact N-OD1 3.48Å; A699-N740 PolarHBondContact O-ND2 2.74Å; I736-N740 WeakPolarHBondContact O-CB 3.33Å; I736-N740 VanDerWaalsContact O-CG 3.25Å; I736-N740 PolarHBondContact O-N 2.85Å; I736-N740 PolarHBondContact O-ND2 3.07Å; F737-N740 PolarHBondContact O-N 3.48Å; N740-A743 PolarHBondContact O-N 3.46Å; N740-A744 VanDerWaalsContact O-CB 3.3Å; N740-A744 WeakPolarHBondContact O-CB 3.25Å; N740-A744 PolarHBondContact O-N 2.95Å; N740-T829 HydrophobicContact CB-CG2 4.12Å; N740-L833 HydrophobicContact CB-CD1 3.43Å; N740-L833 VanDerWaalsContact CB-CD1 3.43Å
741	L	94.8	Very high	90.2	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-65.7	-45.6	177.8	177.8	61.2	0	0	0	111.7	F737 A743 A744 L745 L833 K837 L845	F737-L741 HydrophobicContact CE1-CD2 3.76Å; F737-L741 HydrophobicContact CZ-CD2 3.83Å; F737-L741 VanDerWaalsContact O-CB 3.31Å; F737-L741 WeakPolarHBondContact O-CB 3.42Å; F737-L741 PolarHBondContact O-N 3.43Å; L741-A743 VanDerWaalsContact C-N 3.33Å; L741-A743 PolarHBondContact O-N 2.61Å; L741-A744 PolarHBondContact O-N 3.11Å; L741-L745 HydrophobicContact CD1-CD1 4.03Å; L741-L745 HydrophobicContact CD1-CG 4.23Å; L741-L745 HydrophobicContact CG-CD1 3.99Å; L741-L745 WeakPolarHBondContact O-CB 3.47Å; L741-L745 WeakPolarHBondContact O-CG 3.43Å; L741-L745 PolarHBondContact O-N 3.33Å; L741-L833 HydrophobicContact CD1-CB 4.3Å; L741-K837 HydrophobicContact CD1-CB 4.45Å; L741-K837 HydrophobicContact CD1-CD 4.4Å; L741-L845 HydrophobicContact CD2-CD2 3.92Å
742	V	94.2	Very high	88.1	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.012	13%	0.128	C	C	.	.	H	α-helix	trans	-64	-40.3	176.1	174.7	0	0	0	0	110.8	Y633 L665 I694 R738 F746	Y633-V742 HydrophobicContact CD1-CG2 3.48Å; Y633-V742 VanDerWaalsContact CD1-CG2 3.48Å; Y633-V742 HydrophobicContact CD2-CG1 4.44Å; Y633-V742 HydrophobicContact CD2-CG2 3.7Å; Y633-V742 HydrophobicContact CE1-CG2 3.99Å; Y633-V742 HydrophobicContact CE2-CG2 4.18Å; Y633-V742 HydrophobicContact CG-CG2 3.34Å; L665-V742 HydrophobicContact CD2-CB 4.5Å; L665-V742 HydrophobicContact CD2-CG2 4.11Å; I694-V742 HydrophobicContact CD1-CB 3.99Å; I694-V742 HydrophobicContact CD1-CG1 3.8Å; R738-V742 WeakPolarHBondContact O-CB 3.43Å; R738-V742 VanDerWaalsContact O-CG2 3.24Å; R738-V742 WeakPolarHBondContact O-CG2 3.43Å; R738-V742 PolarHBondContact O-N 2.85Å; R738-V742 VanDerWaalsContact O-N 3.16Å; V742-F746 HydrophobicContact CG1-CD2 3.88Å; V742-F746 HydrophobicContact CG1-CE2 4.35Å; V742-F746 VanDerWaalsContact O-CD2 3.31Å; V742-F746 WeakPolarHBondContact O-CD2 3.48Å; V742-F746 PolarHBondContact O-N 3.02Å; V742-F746 VanDerWaalsContact O-N 3.08Å
743	A	94.6	Very high	85.9	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.7	-39.3	176	0	0	0	0	0	112.3	I694 I739 N740 L741 S747 Y830	I694-A743 HydrophobicContact CD1-CB 4.47Å; I694-A743 WeakPolarHBondContact O-CB 3.35Å; I739-A743 WeakPolarHBondContact O-CB 3.33Å; I739-A743 PolarHBondContact O-N 3.45Å; N740-A743 PolarHBondContact O-N 3.46Å; L741-A743 VanDerWaalsContact C-N 3.33Å; L741-A743 PolarHBondContact O-N 2.61Å; A743-S747 WeakPolarHBondContact O-CB 3.33Å; A743-S747 PolarHBondContact O-N 2.79Å; A743-S747 VanDerWaalsContact O-N 3.08Å; A743-S747 PolarHBondContact O-OG 3Å; A743-Y830 HydrophobicContact CB-CE1 4.1Å; A743-Y830 WeakPolarHBondContact CB-OH 3.43Å
744	A	94.8	Very high	83.4	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.5	-45.6	175.8	0	0	0	0	0	112.5	N740 L741 Q778 H782 Y830 L834	N740-A744 VanDerWaalsContact O-CB 3.3Å; N740-A744 WeakPolarHBondContact O-CB 3.25Å; N740-A744 PolarHBondContact O-N 2.95Å; L741-A744 PolarHBondContact O-N 3.11Å; A744-Q778 PolarHBondContact O-NE2 2.94Å; A744-H782 PolarHBondContact O-NE2 2.97Å; A744-Y830 HydrophobicContact CB-CD1 3.73Å; A744-Y830 HydrophobicContact CB-CD2 4.04Å; A744-Y830 HydrophobicContact CB-CE1 4.34Å; A744-Y830 HydrophobicContact CB-CG 3.56Å; A744-L834 HydrophobicContact CB-CD2 4.24Å; A744-L834 HydrophobicContact CB-CG 4.12Å
745	L	90.9	Very high	80.4	Confident	21 Å²	21	32.5 Å²	32.5	11%	0.11	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-48	178.7	-78.4	166.3	0	0	0	112.4	L741 T771 Q775 Q778 L834 K837	L741-L745 HydrophobicContact CD1-CD1 4.03Å; L741-L745 HydrophobicContact CD1-CG 4.23Å; L741-L745 HydrophobicContact CG-CD1 3.99Å; L741-L745 WeakPolarHBondContact O-CB 3.47Å; L741-L745 WeakPolarHBondContact O-CG 3.43Å; L741-L745 PolarHBondContact O-N 3.33Å; L745-T771 VanDerWaalsContact O-CG2 3.31Å; L745-T771 WeakPolarHBondContact O-CG2 3.42Å; L745-Q775 HydrophobicContact CD2-CG 4.28Å; L745-Q778 PolarHBondContact O-NE2 3.18Å; L745-L834 HydrophobicContact CD2-CD2 3.58Å; L745-L834 HydrophobicContact CG-CD2 3.83Å; L745-K837 HydrophobicContact CD1-CD 4.41Å; L745-K837 HydrophobicContact CD2-CD 4.35Å
746	F	90.4	Very high	77.6	Confident	64 Å²	64	35 Å²	35	28%	0.281	21%	0.213	S	C	.	.	H	α-helix	trans	-107.3	-12.4	-164.4	-61.3	-67.7	0	0	0	116.1	Y633 M668 V742 A748 S770 T771	Y633-F746 HydrophobicContact CE1-CE2 4.48Å; Y633-F746 HydrophobicContact CE2-CE2 4.44Å; Y633-F746 AromaticContact CZ-CE2 3.85Å; Y633-F746 WeakPolarHBondContact OH-CE2 3.42Å; Y633-F746 WeakPolarHBondContact OH-CZ 3.39Å; M668-F746 HydrophobicContact CE-CB 4.41Å; M668-F746 HydrophobicContact CG-CB 3.68Å; M668-F746 HydrophobicContact CG-CG 4.48Å; M668-F746 HydrophobicContact SD-CB 3.54Å; M668-F746 VanDerWaalsContact SD-CB 3.54Å; V742-F746 HydrophobicContact CG1-CD2 3.88Å; V742-F746 HydrophobicContact CG1-CE2 4.35Å; V742-F746 VanDerWaalsContact O-CD2 3.31Å; V742-F746 WeakPolarHBondContact O-CD2 3.48Å; V742-F746 PolarHBondContact O-N 3.02Å; V742-F746 VanDerWaalsContact O-N 3.08Å; F746-A748 PolarHBondContact O-N 3.21Å; F746-A748 VanDerWaalsContact O-N 3.17Å; F746-S770 CarbonylContact O-C 3.6Å; F746-S770 VanDerWaalsContact O-CA 3.27Å; F746-S770 WeakPolarHBondContact O-CA 3.42Å; F746-T771 PolarHBondContact O-N 3.03Å
747	S	88.9	Confident	74.8	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.007	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-64.9	118.2	178	-58.8	0	0	0	0	111	H696 A743 Q778	H696-S747 PolarHBondContact N-OG 2.91Å; A743-S747 WeakPolarHBondContact O-CB 3.33Å; A743-S747 PolarHBondContact O-N 2.79Å; A743-S747 VanDerWaalsContact O-N 3.08Å; A743-S747 PolarHBondContact O-OG 3Å; S747-Q778 PolarHBondContact O-NE2 3.34Å
748	A	82.3	Confident	72.4	Confident	9 Å²	9	39.2 Å²	39.2	7%	0.074	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-63.5	161.7	175.3	0	0	0	0	0	112.3	H696 F746 A750 P767 S769	H696-A748 PolarHBondContact CE1-O 3.4Å; H696-A748 PolarHBondContact NE2-O 3.34Å; F746-A748 PolarHBondContact O-N 3.21Å; F746-A748 VanDerWaalsContact O-N 3.17Å; A748-A750 PolarHBondContact O-N 3.29Å; A748-P767 HydrophobicContact CB-CG 3.92Å; A748-S769 WeakPolarHBondContact CB-O 3.34Å
749	P	72.9	Confident	70.3	Confident	68 Å²	68	44.4 Å²	44.4	44%	0.442	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-55.6	139	172	-26	35.7	0	0	0	111.9	P767 L773	P749-P767 WeakPolarHBondContact O-CG 3.32Å; P749-L773 HydrophobicContact CG-CD1 4.24Å
750	A	68.1	Low	68.7	Low	21 Å²	21	47.6 Å²	47.6	17%	0.174	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-58.3	142.6	172.6	0	0	0	0	0	110.5	A748 L766	A748-A750 PolarHBondContact O-N 3.29Å; A750-L766 HydrophobicContact CB-CD2 3.57Å
751	F	60.2	Low	67.5	Low	90 Å²	90	49 Å²	49	40%	0.395	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-56.6	146	177	-68.9	-67	0	0	0	110.9	A753 I765 P767	F751-A753 PolarHBondContact O-N 3.47Å; F751-I765 HydrophobicContact CD2-CB 4.37Å; F751-I765 HydrophobicContact CD2-CG2 4.05Å; F751-I765 HydrophobicContact CE2-CG2 4.32Å; F751-P767 HydrophobicContact CD2-CB 4.45Å; F751-P767 HydrophobicContact CE2-CB 3.77Å; F751-P767 HydrophobicContact CE2-CG 4.38Å; F751-P767 HydrophobicContact CZ-CB 3.93Å
752	P	50.4	Low	66.3	Low	93 Å²	93	51.1 Å²	51.1	60%	0.604	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-57.3	137.7	170.1	26.5	-33.8	0	0	0	108.9	A754	P752-A754 PolarHBondContact O-N 2.85Å
753	A	49.7	Very low	65.3	Low	71 Å²	71	54.8 Å²	54.8	59%	0.587	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-60.1	133.8	174.1	0	0	0	0	0	109	F751 I755	F751-A753 PolarHBondContact O-N 3.47Å; A753-I755 PolarHBondContact O-N 3.29Å
754	A	44.8	Very low	64.2	Low	19 Å²	19	56.7 Å²	56.7	16%	0.157	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-56.5	128.5	-179.8	0	0	0	0	0	110	S267 L268 L271 P752 G756	S267-A754 WeakPolarHBondContact O-CB 3.27Å; L268-A754 HydrophobicContact CD2-CB 4.41Å; L271-A754 HydrophobicContact CD1-CB 4.29Å; P752-A754 PolarHBondContact O-N 2.85Å; A754-G756 PolarHBondContact O-N 3.45Å; A754-G756 VanDerWaalsContact O-N 3.13Å
755	I	32.2	Very low	62.9	Low	161 Å²	161	58.1 Å²	58.1	83%	0.826	33%	0.331	S	S	*	.	S	Bend	trans	-69.9	111.4	-178.1	-56.7	175.7	0	0	0	108	I294 A753	I294-I755 HydrophobicContact CD1-CD1 4.35Å; A753-I755 PolarHBondContact O-N 3.29Å
756	G	38.6	Very low	62.3	Low	51 Å²	51	57.8 Å²	57.8	53%	0.526	33%	0.329	S	S	.	.	S	Bend	trans	178.5	167.2	-179.7	0	0	0	0	0	111.9	A754 M758	A754-G756 PolarHBondContact O-N 3.45Å; A754-G756 VanDerWaalsContact O-N 3.13Å; G756-M758 PolarHBondContact O-N 2.99Å
757	S	36.9	Very low	61.5	Low	52 Å²	52	55 Å²	55	36%	0.364	32%	0.317	S	S	.	.			trans	-69.8	62.1	-174.2	-169.1	0	0	0	0	113.4	E255 L258 K759	E255-S757 WeakPolarHBondContact OE1-CB 3.46Å; E255-S757 PolarHBondContact OE1-OG 3.48Å; L258-S757 WeakPolarHBondContact CD1-O 3.11Å; S757-K759 VanDerWaalsContact C-N 3.28Å; S757-K759 PolarHBondContact O-N 3.18Å; S757-K759 WeakPolarHBondContact OG-CE 3.47Å
758	M	46.7	Very low	60.6	Low	69 Å²	69	55 Å²	55	34%	0.34	32%	0.317	S	S	.	.			trans	-78	73.2	-179.7	-65.7	-152.2	75.9	0	0	111.9	L268 G756 K760 C762	L268-M758 HydrophobicContact CD1-CE 4.11Å; L268-M758 HydrophobicContact CD1-SD 4.03Å; L268-M758 HydrophobicContact CG-SD 4.18Å; G756-M758 PolarHBondContact O-N 2.99Å; M758-K760 PolarHBondContact O-N 2.9Å; M758-C762 HydrophobicContact CE-CB 3.78Å; M758-C762 VanDerWaalsContact CE-SG 3.55Å
759	K	50.6	Low	60.2	Low	133 Å²	133	57.4 Å²	57.4	58%	0.578	33%	0.333	S	S	*	.			trans	-65.7	8.1	174.5	-68.9	169.2	177.1	158.8	0	114.5	E255 S757	E255-K759 IonicContact OE1-NZ 3.06Å; E255-K759 PolarHBondContact OE1-NZ 3.49Å; E255-K759 IonicContact OE2-NZ 3.43Å; S757-K759 VanDerWaalsContact C-N 3.28Å; S757-K759 PolarHBondContact O-N 3.18Å; S757-K759 WeakPolarHBondContact OG-CE 3.47Å
760	K	64.4	Low	60.5	Low	67 Å²	67	56.1 Å²	56.1	29%	0.291	33%	0.326	S	S	.	.	S	Bend	trans	-143.2	143.6	-178.4	-71.7	-178.6	176.5	148.9	0	112.7	L258 M758 C762 E812	L258-K760 HydrophobicContact CD2-CD 4.47Å; L258-K760 PolarHBondContact O-NZ 3.23Å; L258-K760 VanDerWaalsContact O-NZ 3.15Å; M758-K760 PolarHBondContact O-N 2.9Å; K760-C762 PolarHBondContact O-N 3.19Å; K760-E812 WeakPolarHBondContact CA-OE1 3.32Å; K760-E812 WeakPolarHBondContact CB-OE1 3.35Å
761	F	71.3	Confident	61.2	Low	34 Å²	34	56 Å²	56	15%	0.149	32%	0.323	C	S	.	.			trans	-68	118.1	179.8	176.2	-106.4	0	0	0	112.6	R763 E812 L815 K816 Y819	F761-R763 HydrophobicContact CE1-CG 4.23Å; F761-R763 HydrophobicContact CZ-CG 4.23Å; F761-E812 HydrophobicContact CB-CG 4.16Å; F761-E812 PolarHBondContact N-OE1 2.99Å; F761-L815 HydrophobicContact CD1-CG 4.36Å; F761-L815 HydrophobicContact CE1-CG 4.36Å; F761-K816 HydrophobicContact CB-CB 4.06Å; F761-K816 HydrophobicContact CB-CD 4.06Å; F761-K816 HydrophobicContact CB-CG 4.41Å; F761-K816 HydrophobicContact CD1-CB 3.7Å; F761-K816 HydrophobicContact CD1-CG 4.31Å; F761-K816 HydrophobicContact CD2-CB 4.01Å; F761-K816 HydrophobicContact CD2-CD 3.65Å; F761-K816 HydrophobicContact CD2-CG 3.7Å; F761-K816 HydrophobicContact CE1-CB 4.23Å; F761-K816 HydrophobicContact CE2-CB 4.5Å; F761-K816 HydrophobicContact CE2-CD 4.41Å; F761-K816 HydrophobicContact CE2-CG 4.11Å; F761-K816 HydrophobicContact CG-CB 3.59Å; F761-K816 HydrophobicContact CG-CD 3.9Å; F761-K816 HydrophobicContact CG-CG 3.84Å; F761-Y819 HydrophobicContact CE1-CG 4.15Å; F761-Y819 AromaticContact CE2-CD1 3.88Å; F761-Y819 HydrophobicContact CE2-CD1 3.88Å; F761-Y819 HydrophobicContact CE2-CE1 4.35Å; F761-Y819 HydrophobicContact CE2-CG 4.27Å; F761-Y819 AromaticContact CZ-CD1 3.47Å; F761-Y819 HydrophobicContact CZ-CD1 3.47Å; F761-Y819 VanDerWaalsContact CZ-CD1 3.47Å; F761-Y819 AromaticContact CZ-CD2 3.99Å; F761-Y819 HydrophobicContact CZ-CD2 3.99Å; F761-Y819 HydrophobicContact CZ-CE1 4.18Å; F761-Y819 AromaticContact CZ-CG 3.4Å; F761-Y819 HydrophobicContact CZ-CG 3.4Å
762	C	68.6	Low	62.2	Low	48 Å²	48	59.3 Å²	59.3	32%	0.324	33%	0.333	S	S	.	.			trans	-119.4	150.7	167.6	-67.1	0	0	0	0	110	L268 M758 K760 P764	L268-C762 HydrophobicContact CD1-CB 3.76Å; M758-C762 HydrophobicContact CE-CB 3.78Å; M758-C762 VanDerWaalsContact CE-SG 3.55Å; K760-C762 PolarHBondContact O-N 3.19Å; C762-P764 WeakPolarHBondContact O-CD 3.46Å
763	R	74.9	Confident	63.7	Low	78 Å²	78	57.8 Å²	57.8	29%	0.294	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-74.8	128	175.7	-59.5	-178	-173	147.3	5.7	109.1	W719 F761 Y819	W719-R763 VanDerWaalsContact CD2-CZ 3.48Å; W719-R763 VanDerWaalsContact CG-NH1 3.29Å; F761-R763 HydrophobicContact CE1-CG 4.23Å; F761-R763 HydrophobicContact CZ-CG 4.23Å; R763-Y819 HydrophobicContact CB-CD2 4.28Å; R763-Y819 HydrophobicContact CB-CE2 4.11Å; R763-Y819 HydrophobicContact CG-CD2 3.8Å; R763-Y819 HydrophobicContact CG-CE2 4.14Å
764	P	69.8	Low	65.5	Low	40 Å²	40	57.9 Å²	57.9	26%	0.26	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-53.2	143.5	169.1	-26.3	34.1	0	0	0	112.6	C762 Y819	C762-P764 WeakPolarHBondContact O-CD 3.46Å; P764-Y819 VanDerWaalsContact CD-OH 3.31Å; P764-Y819 WeakPolarHBondContact CD-OH 3.47Å
765	I	68.4	Low	67.7	Low	31 Å²	31	60.1 Å²	60.1	16%	0.159	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-77.1	133.6	171.3	-60.6	-175.1	0	0	0	109	L268 F751	L268-I765 HydrophobicContact CB-CD1 4.47Å; L268-I765 VanDerWaalsContact O-CD1 3.22Å; L268-I765 WeakPolarHBondContact O-CD1 3.35Å; F751-I765 HydrophobicContact CD2-CB 4.37Å; F751-I765 HydrophobicContact CD2-CG2 4.05Å; F751-I765 HydrophobicContact CE2-CG2 4.32Å
766	L	77.1	Confident	70.6	Confident	14 Å²	14	57.6 Å²	57.6	7%	0.073	30%	0.302	C	S	.	.			trans	-112.8	115.3	-176.3	-57.7	179.6	0	0	0	108	H696 A750	H696-L766 HydrophobicContact CB-CB 4.27Å; H696-L766 HydrophobicContact CB-CD1 3.7Å; A750-L766 HydrophobicContact CB-CD2 3.57Å
767	P	73.8	Confident	73	Confident	4 Å²	4	59.4 Å²	59.4	3%	0.026	30%	0.297	C	S	.	.			trans	-64.5	157.3	-175.3	26.1	-34.7	0	0	0	112.7	H695 H696 A748 P749 F751	H695-P767 PolarHBondContact CD2-O 3.11Å; H695-P767 VanDerWaalsContact CD2-O 3.23Å; H696-P767 PolarHBondContact CD2-O 3.03Å; H696-P767 PolarHBondContact NE2-O 3.4Å; A748-P767 HydrophobicContact CB-CG 3.92Å; P749-P767 WeakPolarHBondContact O-CG 3.32Å; F751-P767 HydrophobicContact CD2-CB 4.45Å; F751-P767 HydrophobicContact CE2-CB 3.77Å; F751-P767 HydrophobicContact CE2-CG 4.38Å; F751-P767 HydrophobicContact CZ-CB 3.93Å
768	S	71.1	Confident	75.7	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.021	28%	0.28	C	S	.	.			trans	-96.8	-4.5	172.8	80.5	0	0	0	0	114.2	F621 I622 A623 M668 H695	F621-S768 WeakPolarHBondContact O-CB 3.29Å; F621-S768 PolarHBondContact O-N 2.75Å; F621-S768 PolarHBondContact O-OG 3.23Å; I622-S768 VanDerWaalsContact CA-OG 3.27Å; I622-S768 WeakPolarHBondContact CA-OG 3.46Å; I622-S768 WeakPolarHBondContact O-CB 3.46Å; I622-S768 PolarHBondContact O-OG 2.89Å; A623-S768 PolarHBondContact N-OG 3.34Å; M668-S768 VanDerWaalsContact CE-O 3.23Å; M668-S768 WeakPolarHBondContact CE-O 3.36Å; H695-S768 WeakPolarHBondContact CE1-CB 3.44Å; H695-S768 WeakPolarHBondContact ND1-CB 3.47Å
769	S	73.5	Confident	77.9	Confident	58 Å²	58	54.9 Å²	54.9	41%	0.406	27%	0.269	S	S	.	.	S	Bend	trans	-67.8	152.9	174.9	50	0	0	0	0	112	A748	A748-S769 WeakPolarHBondContact CB-O 3.34Å
770	S	79.1	Confident	80	Confident	41 Å²	41	52.9 Å²	52.9	29%	0.287	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-68.3	144.6	168.8	41.8	0	0	0	0	111	F746	F746-S770 CarbonylContact O-C 3.6Å; F746-S770 VanDerWaalsContact O-CA 3.27Å; F746-S770 WeakPolarHBondContact O-CA 3.42Å
771	T	82.3	Confident	81.2	Confident	19 Å²	19	51.5 Å²	51.5	12%	0.117	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-57.9	150.1	167.6	-160.2	0	0	0	0	110.8	L745 F746 L773 Q778	L745-T771 VanDerWaalsContact O-CG2 3.31Å; L745-T771 WeakPolarHBondContact O-CG2 3.42Å; F746-T771 PolarHBondContact O-N 3.03Å; T771-L773 PolarHBondContact OG1-N 3.42Å; T771-Q778 HydrophobicContact CG2-CG 4.49Å; T771-Q778 PolarHBondContact OG1-OE1 3.05Å
772	R	81.9	Confident	82.3	Confident	159 Å²	159	50.3 Å²	50.3	60%	0.6	26%	0.258	S	S	*	.			trans	-102	-2.4	170.4	-67.1	-175.9	175.6	-154.9	0.3	112.8	D602	D602-R772 IonicContact OD2-CZ 2.7Å; D602-R772 IonicContact OD2-NH1 3.34Å; D602-R772 PolarHBondContact OD2-NH1 3.2Å; D602-R772 IonicContact OD2-NH2 3.47Å; D602-R772 PolarHBondContact OD2-NH2 2.92Å
773	L	81.2	Confident	83.6	Confident	62 Å²	62	50.2 Å²	50.2	33%	0.325	25%	0.253	S	S	.	.	S	Bend	trans	-76.3	151.5	-179.7	-59.5	-178.4	0	0	0	111.1	P749 T771 E777 Q778	P749-L773 HydrophobicContact CG-CD1 4.24Å; T771-L773 PolarHBondContact OG1-N 3.42Å; L773-E777 WeakPolarHBondContact CA-OE2 3.26Å; L773-E777 HydrophobicContact CB-CB 3.82Å; L773-E777 HydrophobicContact CD1-CB 4.39Å; L773-E777 HydrophobicContact CD2-CB 4.22Å; L773-E777 HydrophobicContact CG-CB 4.35Å; L773-Q778 HydrophobicContact CB-CB 4.24Å
774	N	88.9	Confident	84.5	Confident	73 Å²	73	50.4 Å²	50.4	39%	0.39	26%	0.26	S	S	.	.			trans	-72.9	176.1	165.9	60.9	46.9	0	0	0	111.6	E776 E777 Q778	N774-E776 VanDerWaalsContact C-N 3.28Å; N774-E776 PolarHBondContact O-N 3.08Å; N774-E776 PolarHBondContact OD1-N 3.18Å; N774-E776 PolarHBondContact OD1-OE2 3.45Å; N774-E777 PolarHBondContact N-OE2 3.15Å; N774-E777 PolarHBondContact ND2-OE1 2.98Å; N774-E777 PolarHBondContact ND2-OE2 3.07Å; N774-E777 VanDerWaalsContact OD1-CB 3.28Å; N774-E777 WeakPolarHBondContact OD1-CB 3.29Å; N774-E777 WeakPolarHBondContact OD1-CG 3.26Å; N774-E777 PolarHBondContact OD1-N 3.18Å; N774-Q778 WeakPolarHBondContact O-CB 3.27Å; N774-Q778 PolarHBondContact O-N 3.26Å
775	Q	90.4	Very high	85.5	Confident	65 Å²	65	51.6 Å²	51.6	30%	0.304	26%	0.261	S	S	.	.	H	α-helix	trans	-66.9	-33.5	-171.3	-63.8	-176.5	52.5	0	0	111.8	L745 L779 I838	L745-Q775 HydrophobicContact CD2-CG 4.28Å; Q775-L779 WeakPolarHBondContact O-CB 3.29Å; Q775-L779 PolarHBondContact O-N 3.08Å; Q775-I838 HydrophobicContact CB-CD1 4.4Å
776	E	92.1	Very high	86.7	Confident	108 Å²	108	51.6 Å²	51.6	51%	0.505	26%	0.261	S	S	.	.	H	α-helix	trans	-74.8	-45.7	-178.9	-61.1	68.8	-155.6	0	0	111.2	N774 L779 L780	N774-E776 VanDerWaalsContact C-N 3.28Å; N774-E776 PolarHBondContact O-N 3.08Å; N774-E776 PolarHBondContact OD1-N 3.18Å; N774-E776 PolarHBondContact OD1-OE2 3.45Å; E776-L779 PolarHBondContact O-N 3.03Å; E776-L780 WeakPolarHBondContact O-CB 3.49Å; E776-L780 PolarHBondContact O-N 2.95Å
777	E	90.9	Very high	87.5	Confident	90 Å²	90	56.4 Å²	56.4	42%	0.421	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-41.9	171.5	-75.3	161	-169.2	0	0	112.1	L773 N774 L779 L780 S781	L773-E777 WeakPolarHBondContact CA-OE2 3.26Å; L773-E777 HydrophobicContact CB-CB 3.82Å; L773-E777 HydrophobicContact CD1-CB 4.39Å; L773-E777 HydrophobicContact CD2-CB 4.22Å; L773-E777 HydrophobicContact CG-CB 4.35Å; N774-E777 PolarHBondContact N-OE2 3.15Å; N774-E777 PolarHBondContact ND2-OE1 2.98Å; N774-E777 PolarHBondContact ND2-OE2 3.07Å; N774-E777 VanDerWaalsContact OD1-CB 3.28Å; N774-E777 WeakPolarHBondContact OD1-CB 3.29Å; N774-E777 WeakPolarHBondContact OD1-CG 3.26Å; N774-E777 PolarHBondContact OD1-N 3.18Å; E777-L779 VanDerWaalsContact C-N 3.35Å; E777-L780 PolarHBondContact O-N 3.37Å; E777-S781 WeakPolarHBondContact O-CB 2.93Å; E777-S781 PolarHBondContact O-N 3.06Å
778	Q	92.1	Very high	88.4	Confident	3 Å²	3	62.9 Å²	62.9	1%	0.014	31%	0.309	C	S	.	.	H	α-helix	trans	-64.6	-39.6	176.7	-177.4	75.2	-7.6	0	0	110.9	A744 L745 S747 T771 L773 N774 H782 L834	A744-Q778 PolarHBondContact O-NE2 2.94Å; L745-Q778 PolarHBondContact O-NE2 3.18Å; S747-Q778 PolarHBondContact O-NE2 3.34Å; T771-Q778 HydrophobicContact CG2-CG 4.49Å; T771-Q778 PolarHBondContact OG1-OE1 3.05Å; L773-Q778 HydrophobicContact CB-CB 4.24Å; N774-Q778 WeakPolarHBondContact O-CB 3.27Å; N774-Q778 PolarHBondContact O-N 3.26Å; Q778-H782 PolarHBondContact NE2-CE1 3.4Å; Q778-H782 PolarHBondContact NE2-NE2 3.23Å; Q778-H782 PolarHBondContact O-CD2 2.81Å; Q778-H782 VanDerWaalsContact O-CG 3.31Å; Q778-H782 PolarHBondContact O-N 3.14Å; Q778-L834 HydrophobicContact CB-CD1 4.36Å; Q778-L834 HydrophobicContact CG-CD1 3.86Å
779	L	94.3	Very high	89.3	Confident	22 Å²	22	63 Å²	63	12%	0.115	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-52.5	171.1	170.8	59	0	0	0	111.3	Q775 E776 E777 S781 H782 E783 V831 L834 Q835 I838	Q775-L779 WeakPolarHBondContact O-CB 3.29Å; Q775-L779 PolarHBondContact O-N 3.08Å; E776-L779 PolarHBondContact O-N 3.03Å; E777-L779 VanDerWaalsContact C-N 3.35Å; L779-S781 VanDerWaalsContact C-N 3.26Å; L779-S781 PolarHBondContact O-N 3.1Å; L779-H782 PolarHBondContact O-N 3.45Å; L779-H782 VanDerWaalsContact O-N 3.1Å; L779-E783 HydrophobicContact CD1-CG 3.96Å; L779-E783 HydrophobicContact CG-CG 4.47Å; L779-E783 PolarHBondContact O-N 3.02Å; L779-V831 HydrophobicContact CD1-CB 4.32Å; L779-V831 HydrophobicContact CD1-CG1 4Å; L779-V831 HydrophobicContact CD1-CG2 4.35Å; L779-L834 HydrophobicContact CB-CB 4.29Å; L779-L834 HydrophobicContact CB-CD1 4.19Å; L779-L834 HydrophobicContact CD1-CB 4.17Å; L779-Q835 HydrophobicContact CD1-CG 3.74Å; L779-Q835 HydrophobicContact CD2-CG 3.72Å; L779-Q835 HydrophobicContact CG-CG 4.41Å; L779-I838 HydrophobicContact CB-CD1 4.35Å; L779-I838 HydrophobicContact CD2-CD1 3.84Å
780	L	93.8	Very high	90.3	Very high	92 Å²	92	61 Å²	61	48%	0.482	30%	0.296	S	S	.	.	H	α-helix	trans	-59.2	-38	179.6	-179.2	60.8	0	0	0	112.1	E776 E777 E783 N784	E776-L780 WeakPolarHBondContact O-CB 3.49Å; E776-L780 PolarHBondContact O-N 2.95Å; E777-L780 PolarHBondContact O-N 3.37Å; L780-E783 PolarHBondContact O-N 3.14Å; L780-N784 WeakPolarHBondContact O-CB 3.23Å; L780-N784 VanDerWaalsContact O-CG 3.23Å; L780-N784 PolarHBondContact O-N 3.4Å; L780-N784 PolarHBondContact O-ND2 2.99Å
781	S	90.4	Very high	91	Very high	38 Å²	38	63.6 Å²	63.6	27%	0.266	31%	0.306	S	S	.	.	H	α-helix	trans	-60.3	-49.2	173.2	-174.5	0	0	0	0	111.6	E777 L779 N784 K785	E777-S781 WeakPolarHBondContact O-CB 2.93Å; E777-S781 PolarHBondContact O-N 3.06Å; L779-S781 VanDerWaalsContact C-N 3.26Å; L779-S781 PolarHBondContact O-N 3.1Å; S781-N784 PolarHBondContact O-N 3.04Å; S781-K785 VanDerWaalsContact O-CB 3.3Å; S781-K785 WeakPolarHBondContact O-CB 3.01Å; S781-K785 PolarHBondContact O-N 3.09Å
782	H	94.5	Very high	91.4	Very high	8 Å²	8	65.1 Å²	65.1	4%	0.037	31%	0.312	C	S	.	.	H	α-helix	trans	-66.5	-37.2	177	-67.2	-21.9	0	0	0	112.8	A744 Q778 L779 K785 L786 Y827 Y830 V831	A744-H782 PolarHBondContact O-NE2 2.97Å; Q778-H782 PolarHBondContact NE2-CE1 3.4Å; Q778-H782 PolarHBondContact NE2-NE2 3.23Å; Q778-H782 PolarHBondContact O-CD2 2.81Å; Q778-H782 VanDerWaalsContact O-CG 3.31Å; Q778-H782 PolarHBondContact O-N 3.14Å; L779-H782 PolarHBondContact O-N 3.45Å; L779-H782 VanDerWaalsContact O-N 3.1Å; H782-K785 PolarHBondContact O-N 3.16Å; H782-L786 WeakPolarHBondContact O-CB 3.45Å; H782-L786 PolarHBondContact O-N 2.6Å; H782-Y827 HydrophobicContact CB-CD1 3.94Å; H782-Y827 HydrophobicContact CB-CE1 4.44Å; H782-Y827 AromaticContact CG-CD1 3.98Å; H782-Y827 AromaticContact ND1-CD1 3.77Å; H782-Y827 AromaticContact ND1-CE1 3.42Å; H782-Y827 WeakPolarHBondContact ND1-CE1 3.42Å; H782-Y830 AromaticContact NE2-CD2 3.79Å; H782-V831 HydrophobicContact CB-CG2 3.8Å
783	E	95.8	Very high	91.9	Very high	47 Å²	47	57.7 Å²	57.7	22%	0.22	28%	0.284	C	S	.	.	H	α-helix	trans	-64.8	-45.7	175	-76	-170.7	-173.2	0	0	112.1	L779 L780 K785 L786 K787 V831 Q835	L779-E783 HydrophobicContact CD1-CG 3.96Å; L779-E783 HydrophobicContact CG-CG 4.47Å; L779-E783 PolarHBondContact O-N 3.02Å; L780-E783 PolarHBondContact O-N 3.14Å; E783-K785 VanDerWaalsContact C-N 3.29Å; E783-K785 PolarHBondContact O-N 2.75Å; E783-L786 WeakPolarHBondContact O-CB 3.43Å; E783-L786 PolarHBondContact O-N 3.33Å; E783-K787 VanDerWaalsContact O-CG 3.27Å; E783-K787 WeakPolarHBondContact O-CG 3.26Å; E783-K787 PolarHBondContact O-N 3.27Å; E783-K787 IonicContact OE2-NZ 3.67Å; E783-V831 HydrophobicContact CB-CG2 4.42Å; E783-V831 HydrophobicContact CG-CB 4.46Å; E783-V831 HydrophobicContact CG-CG1 3.79Å; E783-V831 HydrophobicContact CG-CG2 3.76Å; E783-Q835 PolarHBondContact OE1-NE2 3.05Å
784	N	92.4	Very high	92.5	Very high	81 Å²	81	59.5 Å²	59.5	43%	0.433	29%	0.291	S	S	.	.	H	α-helix	trans	-66.8	-34.7	177.9	-70.2	-19.5	0	0	0	111.4	L780 S781 K787 K788	L780-N784 WeakPolarHBondContact O-CB 3.23Å; L780-N784 VanDerWaalsContact O-CG 3.23Å; L780-N784 PolarHBondContact O-N 3.4Å; L780-N784 PolarHBondContact O-ND2 2.99Å; S781-N784 PolarHBondContact O-N 3.04Å; N784-K787 PolarHBondContact OD1-NZ 3.5Å; N784-K788 WeakPolarHBondContact O-CB 3.44Å; N784-K788 PolarHBondContact O-N 3.43Å
785	K	90.9	Very high	92.7	Very high	66 Å²	66	60.5 Å²	60.5	29%	0.287	29%	0.293	S	S	.	.	H	α-helix	trans	-68.7	-39	172.6	-164.7	65.7	168.9	-167.4	0	112.3	S781 H782 E783 K788 T789 Y827	S781-K785 VanDerWaalsContact O-CB 3.3Å; S781-K785 WeakPolarHBondContact O-CB 3.01Å; S781-K785 PolarHBondContact O-N 3.09Å; H782-K785 PolarHBondContact O-N 3.16Å; E783-K785 VanDerWaalsContact C-N 3.29Å; E783-K785 PolarHBondContact O-N 2.75Å; K785-K788 PolarHBondContact O-N 2.86Å; K785-T789 WeakPolarHBondContact O-CB 3.4Å; K785-T789 PolarHBondContact O-N 2.75Å; K785-T789 PolarHBondContact O-OG1 3.07Å; K785-Y827 HydrophobicContact CB-CD1 4.33Å; K785-Y827 HydrophobicContact CB-CD2 4.47Å; K785-Y827 HydrophobicContact CB-CE1 4.14Å; K785-Y827 HydrophobicContact CB-CE2 4.3Å; K785-Y827 HydrophobicContact CB-CG 4.49Å; K785-Y827 HydrophobicContact CD-CE2 4.49Å; K785-Y827 HydrophobicContact CG-CD1 4.37Å; K785-Y827 HydrophobicContact CG-CD2 3.9Å; K785-Y827 HydrophobicContact CG-CE1 3.91Å; K785-Y827 HydrophobicContact CG-CE2 3.38Å; K785-Y827 HydrophobicContact CG-CG 4.38Å
786	L	94.9	Very high	92.6	Very high	31 Å²	31	58.2 Å²	58.2	16%	0.162	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-45.5	173.3	176.4	54.2	0	0	0	112	H782 E783 S790 K824 E828 V831	H782-L786 WeakPolarHBondContact O-CB 3.45Å; H782-L786 PolarHBondContact O-N 2.6Å; E783-L786 WeakPolarHBondContact O-CB 3.43Å; E783-L786 PolarHBondContact O-N 3.33Å; L786-S790 VanDerWaalsContact O-CB 3.29Å; L786-S790 WeakPolarHBondContact O-CB 3.47Å; L786-S790 PolarHBondContact O-N 3.26Å; L786-S790 PolarHBondContact O-OG 3.29Å; L786-K824 HydrophobicContact CD1-CG 3.98Å; L786-E828 HydrophobicContact CD1-CG 3.64Å; L786-E828 HydrophobicContact CD2-CG 4.05Å; L786-V831 HydrophobicContact CD2-CG2 4.28Å
787	K	94.5	Very high	92.6	Very high	115 Å²	115	57.5 Å²	57.5	50%	0.5	28%	0.275	S	S	.	.	H	α-helix	trans	-57.6	-53.1	174.7	-68.2	162.4	-161.6	161.2	0	110.1	E783 N784 T789 S790 L791	E783-K787 VanDerWaalsContact O-CG 3.27Å; E783-K787 WeakPolarHBondContact O-CG 3.26Å; E783-K787 PolarHBondContact O-N 3.27Å; E783-K787 IonicContact OE2-NZ 3.67Å; N784-K787 PolarHBondContact OD1-NZ 3.5Å; K787-T789 PolarHBondContact O-N 3.05Å; K787-S790 PolarHBondContact O-N 2.94Å; K787-L791 PolarHBondContact O-N 3.01Å
788	K	91.6	Very high	92.6	Very high	139 Å²	139	61.3 Å²	61.3	60%	0.604	29%	0.29	S	S	*	.	H	α-helix	trans	-59.2	-47.8	179	179.9	162.3	-177.1	159.9	0	113.3	N784 K785 S790 L791 E792	N784-K788 WeakPolarHBondContact O-CB 3.44Å; N784-K788 PolarHBondContact O-N 3.43Å; K785-K788 PolarHBondContact O-N 2.86Å; K788-S790 VanDerWaalsContact C-N 3.33Å; K788-S790 PolarHBondContact O-N 2.96Å; K788-L791 PolarHBondContact O-N 3.41Å; K788-E792 WeakPolarHBondContact O-CB 3.18Å; K788-E792 PolarHBondContact O-N 2.76Å
789	T	90.4	Very high	92.3	Very high	5 Å²	5	67.6 Å²	67.6	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-71.9	-26.1	-179.1	-70.1	0	0	0	0	112.9	K785 K787 L793 L820 E823 K824	K785-T789 WeakPolarHBondContact O-CB 3.4Å; K785-T789 PolarHBondContact O-N 2.75Å; K785-T789 PolarHBondContact O-OG1 3.07Å; K787-T789 PolarHBondContact O-N 3.05Å; T789-L793 VanDerWaalsContact O-CB 3.29Å; T789-L793 WeakPolarHBondContact O-CB 3.48Å; T789-L793 PolarHBondContact O-N 2.8Å; T789-L793 VanDerWaalsContact O-N 3.15Å; T789-L820 HydrophobicContact CG2-CD2 4.13Å; T789-L820 WeakPolarHBondContact CG2-O 3.37Å; T789-E823 HydrophobicContact CG2-CB 3.73Å; T789-K824 HydrophobicContact CG2-CB 4.22Å
790	S	94.1	Very high	91.8	Very high	16 Å²	16	72.4 Å²	72.4	11%	0.112	35%	0.345	C	S	.	.	H	α-helix	trans	-67.4	-50	169.9	-63.3	0	0	0	0	111.5	L786 K787 K788 E792 L793 E794 K824	L786-S790 VanDerWaalsContact O-CB 3.29Å; L786-S790 WeakPolarHBondContact O-CB 3.47Å; L786-S790 PolarHBondContact O-N 3.26Å; L786-S790 PolarHBondContact O-OG 3.29Å; K787-S790 PolarHBondContact O-N 2.94Å; K788-S790 VanDerWaalsContact C-N 3.33Å; K788-S790 PolarHBondContact O-N 2.96Å; S790-E792 PolarHBondContact O-N 2.74Å; S790-L793 WeakPolarHBondContact O-CB 3.34Å; S790-L793 PolarHBondContact O-N 3.22Å; S790-L793 VanDerWaalsContact O-N 3.17Å; S790-E794 WeakPolarHBondContact O-CG 3.42Å; S790-E794 PolarHBondContact O-N 3.5Å; S790-K824 VanDerWaalsContact CB-NZ 3.33Å; S790-K824 WeakPolarHBondContact OG-CD 3.4Å; S790-K824 WeakPolarHBondContact OG-CE 3.4Å; S790-K824 PolarHBondContact OG-NZ 3.42Å
791	L	94	Very high	91.2	Very high	96 Å²	96	69.6 Å²	69.6	50%	0.503	33%	0.332	S	S	.	.	H	α-helix	trans	-59.2	-48.2	177.7	-178.7	149.3	0	0	0	111.1	K787 K788 L793 E794 E795	K787-L791 PolarHBondContact O-N 3.01Å; K788-L791 PolarHBondContact O-N 3.41Å; L791-L793 VanDerWaalsContact C-N 3.26Å; L791-L793 PolarHBondContact O-N 3.39Å; L791-E794 PolarHBondContact O-N 2.84Å; L791-E795 VanDerWaalsContact CD2-CD 3.41Å; L791-E795 HydrophobicContact CD2-CG 4.18Å; L791-E795 WeakPolarHBondContact CD2-OE1 3.44Å; L791-E795 WeakPolarHBondContact CD2-OE2 3.38Å; L791-E795 WeakPolarHBondContact O-CG 3.13Å; L791-E795 PolarHBondContact O-N 3.36Å
792	E	91	Very high	90	Very high	51 Å²	51	73.7 Å²	73.7	24%	0.238	36%	0.361	C	S	.	.	H	α-helix	trans	-61.5	-33.1	177.7	-164.5	-172.2	166.3	0	0	112.4	K788 S790 H796 K816 L820	K788-E792 WeakPolarHBondContact O-CB 3.18Å; K788-E792 PolarHBondContact O-N 2.76Å; S790-E792 PolarHBondContact O-N 2.74Å; E792-H796 WeakPolarHBondContact O-CB 3.44Å; E792-H796 PolarHBondContact O-N 3.33Å; E792-K816 WeakPolarHBondContact OE1-CE 3.48Å; E792-K816 IonicContact OE1-NZ 2.7Å; E792-K816 PolarHBondContact OE1-NZ 2.93Å; E792-L820 HydrophobicContact CB-CD1 4.25Å; E792-L820 HydrophobicContact CB-CD2 4.32Å; E792-L820 HydrophobicContact CG-CD1 3.86Å; E792-L820 HydrophobicContact CG-CD2 4.2Å; E792-L820 WeakPolarHBondContact OE2-CD2 3.21Å
793	L	92.1	Very high	89.1	Confident	3 Å²	3	76.2 Å²	76.2	2%	0.016	39%	0.389	C	S	.	.	H	α-helix	trans	-72	-32.2	175.6	179.6	59.9	0	0	0	112.5	T789 S790 L791 R797 E817 L820 K824	T789-L793 VanDerWaalsContact O-CB 3.29Å; T789-L793 WeakPolarHBondContact O-CB 3.48Å; T789-L793 PolarHBondContact O-N 2.8Å; T789-L793 VanDerWaalsContact O-N 3.15Å; S790-L793 WeakPolarHBondContact O-CB 3.34Å; S790-L793 PolarHBondContact O-N 3.22Å; S790-L793 VanDerWaalsContact O-N 3.17Å; L791-L793 VanDerWaalsContact C-N 3.26Å; L791-L793 PolarHBondContact O-N 3.39Å; L793-R797 WeakPolarHBondContact O-CG 3.43Å; L793-R797 PolarHBondContact O-N 2.91Å; L793-R797 VanDerWaalsContact O-N 3.15Å; L793-E817 HydrophobicContact CD1-CG 3.76Å; L793-L820 HydrophobicContact CB-CB 4.04Å; L793-L820 HydrophobicContact CB-CD1 4.43Å; L793-L820 HydrophobicContact CD1-CB 3.84Å; L793-L820 HydrophobicContact CG-CB 4.41Å; L793-K824 HydrophobicContact CD2-CD 4.07Å
794	E	93.8	Very high	88	Confident	100 Å²	100	78.6 Å²	78.6	47%	0.467	40%	0.403	S	S	.	.	H	α-helix	trans	-79.9	-39.4	179.8	-73.4	160.2	-148.6	0	0	111.4	S790 L791 R797 K798 K824	S790-E794 WeakPolarHBondContact O-CG 3.42Å; S790-E794 PolarHBondContact O-N 3.5Å; L791-E794 PolarHBondContact O-N 2.84Å; E794-R797 PolarHBondContact O-N 3.18Å; E794-K798 WeakPolarHBondContact O-CG 3.46Å; E794-K798 PolarHBondContact O-N 2.64Å; E794-K824 IonicContact OE1-NZ 3.53Å
795	E	91.9	Very high	87.1	Confident	94 Å²	94	78.5 Å²	78.5	44%	0.439	41%	0.407	S	S	.	.	H	α-helix	trans	-60.3	-49.5	166.6	-69.6	177	150.6	0	0	111.4	L791 R797 K798 L799	L791-E795 VanDerWaalsContact CD2-CD 3.41Å; L791-E795 HydrophobicContact CD2-CG 4.18Å; L791-E795 WeakPolarHBondContact CD2-OE1 3.44Å; L791-E795 WeakPolarHBondContact CD2-OE2 3.38Å; L791-E795 WeakPolarHBondContact O-CG 3.13Å; L791-E795 PolarHBondContact O-N 3.36Å; E795-R797 PolarHBondContact O-N 3.16Å; E795-K798 WeakPolarHBondContact O-CB 3.31Å; E795-K798 PolarHBondContact O-N 3.31Å; E795-L799 PolarHBondContact O-N 2.95Å; E795-L799 VanDerWaalsContact O-N 3.09Å
796	H	89.8	Confident	86.2	Confident	17 Å²	17	83.5 Å²	83.5	8%	0.079	43%	0.429	C	S	.	.	H	α-helix	trans	-55.9	-38.9	177.9	-177.6	-89.2	0	0	0	112	E792 K798 L799 Y813 K816 L820	E792-H796 WeakPolarHBondContact O-CB 3.44Å; E792-H796 PolarHBondContact O-N 3.33Å; H796-K798 VanDerWaalsContact C-N 3.32Å; H796-K798 PolarHBondContact O-N 3.11Å; H796-L799 PolarHBondContact O-N 3.41Å; H796-Y813 AromaticContact CE1-CD1 3.99Å; H796-Y813 AromaticContact CE1-CD2 3.13Å; H796-Y813 WeakPolarHBondContact CE1-CD2 3.35Å; H796-Y813 AromaticContact CE1-CE2 3.25Å; H796-Y813 WeakPolarHBondContact CE1-CE2 3.35Å; H796-Y813 AromaticContact CE1-CG 3.54Å; H796-Y813 AromaticContact CE1-CZ 3.73Å; H796-Y813 PolarHBondContact CE1-O 3.27Å; H796-Y813 AromaticContact ND1-CD2 3.97Å; H796-Y813 AromaticContact ND1-CE2 3.64Å; H796-Y813 AromaticContact ND1-CZ 3.98Å; H796-Y813 AromaticContact NE2-CD2 3.35Å; H796-Y813 VanDerWaalsContact NE2-CD2 3.35Å; H796-Y813 WeakPolarHBondContact NE2-CD2 3.34Å; H796-Y813 AromaticContact NE2-CE2 3.81Å; H796-Y813 AromaticContact NE2-CG 3.88Å; H796-Y813 PolarHBondContact NE2-O 3.23Å; H796-Y813 VanDerWaalsContact O-CE2 3.22Å; H796-Y813 WeakPolarHBondContact O-CE2 3.2Å; H796-K816 VanDerWaalsContact CD2-CD 3.47Å; H796-K816 WeakPolarHBondContact CD2-CD 3.06Å; H796-L820 HydrophobicContact CB-CD1 4.21Å
797	R	92.6	Very high	85.4	Confident	94 Å²	94	83.2 Å²	83.2	36%	0.355	43%	0.433	S	S	.	.	H	α-helix	trans	-70.9	-21.1	177	-80.1	178	176	132.7	10.1	114.8	L793 E794 E795 E817 T821	L793-R797 WeakPolarHBondContact O-CG 3.43Å; L793-R797 PolarHBondContact O-N 2.91Å; L793-R797 VanDerWaalsContact O-N 3.15Å; E794-R797 PolarHBondContact O-N 3.18Å; E795-R797 PolarHBondContact O-N 3.16Å; R797-E817 IonicContact CZ-OE1 3.87Å; R797-E817 IonicContact NE-OE1 2.63Å; R797-E817 PolarHBondContact NE-OE1 3.3Å; R797-E817 IonicContact NH2-OE1 2.74Å; R797-E817 PolarHBondContact NH2-OE1 2.79Å; R797-T821 PolarHBondContact NH2-OG1 2.78Å
798	K	90.8	Very high	84.5	Confident	170 Å²	170	86.6 Å²	86.6	74%	0.739	44%	0.443	S	S	*	.	H	α-helix	trans	-77.9	-38.5	171	-64.1	167	-173.7	177.4	0	110.7	E794 E795 H796 Q800	E794-K798 WeakPolarHBondContact O-CG 3.46Å; E794-K798 PolarHBondContact O-N 2.64Å; E795-K798 WeakPolarHBondContact O-CB 3.31Å; E795-K798 PolarHBondContact O-N 3.31Å; H796-K798 VanDerWaalsContact C-N 3.32Å; H796-K798 PolarHBondContact O-N 3.11Å; K798-Q800 PolarHBondContact O-N 3.31Å
799	L	85.4	Confident	83.8	Confident	134 Å²	134	85.3 Å²	85.3	70%	0.702	44%	0.442	S	S	*	.	S	Bend	trans	-80.9	50	-178.7	-61	173.4	0	0	0	112.8	E795 H796	E795-L799 PolarHBondContact O-N 2.95Å; E795-L799 VanDerWaalsContact O-N 3.09Å; H796-L799 PolarHBondContact O-N 3.41Å
800	Q	83.3	Confident	83.5	Confident	123 Å²	123	87 Å²	87	58%	0.575	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-71.6	126.9	178.7	-168.4	-175.8	-92.2	0	0	111	K798 S802 W810 Y813	K798-Q800 PolarHBondContact O-N 3.31Å; Q800-S802 PolarHBondContact O-N 3.2Å; Q800-W810 HydrophobicContact CG-CH2 3.51Å; Q800-W810 HydrophobicContact CG-CZ2 3.86Å; Q800-W810 HydrophobicContact CG-CZ3 4.29Å; Q800-Y813 HydrophobicContact CB-CE2 4.44Å
801	P	80.8	Confident	82.9	Confident	33 Å²	33	91.4 Å²	91.4	21%	0.214	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-62.1	134.8	-178.2	-24.1	32.7	0	0	0	113.5	W810 Y813	P801-W810 HydrophobicContact CB-CG 4.44Å; P801-W810 WeakPolarHBondContact O-CZ2 3.47Å; P801-W810 PolarHBondContact O-NE1 3.36Å; P801-Y813 HydrophobicContact CG-CD2 3.93Å; P801-Y813 HydrophobicContact CG-CG 4.04Å
802	S	66.3	Low	82.3	Confident	125 Å²	125	89.6 Å²	89.6	87%	0.874	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-78.5	143.3	163.5	51.1	0	0	0	0	110.4	Q800	Q800-S802 PolarHBondContact O-N 3.2Å
803	G	74.7	Confident	82.1	Confident	60 Å²	60	88.2 Å²	88.2	62%	0.619	45%	0.449	S	S	*	.	S	Bend	trans	113.7	-172.6	-177.7	0	0	0	0	0	114.5	P805 W810	G803-P805 WeakPolarHBondContact O-CD 3.41Å; G803-W810 PolarHBondContact O-NE1 2.99Å
804	D	71.9	Confident	81.9	Confident	98 Å²	98	92.9 Å²	92.9	52%	0.524	47%	0.466	S	S	.	.			trans	-60.3	123.8	-174.9	179.1	-0.8	0	0	0	112	K806 G807	D804-K806 PolarHBondContact O-N 3.08Å; D804-K806 WeakPolarHBondContact OD1-CB 3.43Å; D804-K806 PolarHBondContact OD1-N 3.42Å; D804-G807 PolarHBondContact O-N 3.01Å
805	P	73.8	Confident	81.5	Confident	78 Å²	78	91.4 Å²	91.4	51%	0.506	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-6	172.7	-27.8	37.1	0	0	0	116.9	G803 R814	G803-P805 WeakPolarHBondContact O-CD 3.41Å; P805-R814 PolarHBondContact O-NH1 3.49Å; P805-R814 VanDerWaalsContact O-NH1 3.13Å
806	K	71.9	Confident	81.3	Confident	172 Å²	172	89.3 Å²	89.3	75%	0.748	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-1.2	172.5	-59.5	167.9	-172.5	159.7	0	113.8	D804	D804-K806 PolarHBondContact O-N 3.08Å; D804-K806 WeakPolarHBondContact OD1-CB 3.43Å; D804-K806 PolarHBondContact OD1-N 3.42Å
807	G	78.3	Confident	81.4	Confident	24 Å²	24	91.1 Å²	91.1	25%	0.247	46%	0.459	C	S	.	.	S	Bend	trans	-62.9	158.6	173.7	0	0	0	0	0	112.5	D804 D809 W810 E811	D804-G807 PolarHBondContact O-N 3.01Å; G807-D809 PolarHBondContact O-N 3.43Å; G807-W810 WeakPolarHBondContact O-CB 3.41Å; G807-W810 PolarHBondContact O-N 2.82Å; G807-E811 WeakPolarHBondContact O-CG 3.31Å; G807-E811 PolarHBondContact O-N 3.24Å; G807-E811 VanDerWaalsContact O-N 3.12Å
808	R	76.1	Confident	81.3	Confident	187 Å²	187	92.1 Å²	92.1	71%	0.706	47%	0.468	S	S	*	.	H	α-helix	trans	-58.7	-36.3	-178.4	-69.1	-172.7	-66.4	-170.1	-2.6	112.2	W810 E811 E812	R808-W810 VanDerWaalsContact C-N 3.34Å; R808-E811 WeakPolarHBondContact O-CA 3.42Å; R808-E811 WeakPolarHBondContact O-CB 3.32Å; R808-E811 PolarHBondContact O-N 3.23Å; R808-E812 PolarHBondContact O-N 3.13Å
809	D	76.5	Confident	81.3	Confident	111 Å²	111	84.6 Å²	84.6	59%	0.594	43%	0.434	S	S	*	.	H	α-helix	trans	-71.9	-33.7	-175.3	-35.9	-62.1	0	0	0	110.5	G807 E812 Y813	G807-D809 PolarHBondContact O-N 3.43Å; D809-E812 PolarHBondContact O-N 3.27Å; D809-Y813 VanDerWaalsContact O-CB 3.3Å; D809-Y813 WeakPolarHBondContact O-CB 3.46Å; D809-Y813 PolarHBondContact O-N 3.49Å
810	W	83.6	Confident	81.7	Confident	41 Å²	41	78.2 Å²	78.2	16%	0.155	40%	0.401	C	S	.	.	H	α-helix	trans	-68.9	-30.9	167.3	-90.6	101.3	0	0	0	113.3	Q800 P801 G803 G807 R808 Y813 R814	Q800-W810 HydrophobicContact CG-CH2 3.51Å; Q800-W810 HydrophobicContact CG-CZ2 3.86Å; Q800-W810 HydrophobicContact CG-CZ3 4.29Å; P801-W810 HydrophobicContact CB-CG 4.44Å; P801-W810 WeakPolarHBondContact O-CZ2 3.47Å; P801-W810 PolarHBondContact O-NE1 3.36Å; G803-W810 PolarHBondContact O-NE1 2.99Å; G807-W810 WeakPolarHBondContact O-CB 3.41Å; G807-W810 PolarHBondContact O-N 2.82Å; R808-W810 VanDerWaalsContact C-N 3.34Å; W810-Y813 HydrophobicContact CE3-CD1 4.08Å; W810-Y813 HydrophobicContact CZ3-CD1 4.08Å; W810-Y813 HydrophobicContact CZ3-CE1 4.15Å; W810-R814 WeakPolarHBondContact O-CG 3.13Å; W810-R814 PolarHBondContact O-N 3.48Å; W810-R814 VanDerWaalsContact O-N 3.15Å; W810-R814 PolarHBondContact O-NE 3.12Å
811	E	81.4	Confident	82.2	Confident	109 Å²	109	74.8 Å²	74.8	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-67.6	-41.9	172.4	-52.6	-132.3	106.6	0	0	111.5	G807 R808 R814 L815	G807-E811 WeakPolarHBondContact O-CG 3.31Å; G807-E811 PolarHBondContact O-N 3.24Å; G807-E811 VanDerWaalsContact O-N 3.12Å; R808-E811 WeakPolarHBondContact O-CA 3.42Å; R808-E811 WeakPolarHBondContact O-CB 3.32Å; R808-E811 PolarHBondContact O-N 3.23Å; E811-R814 IonicContact OE1-CZ 2.71Å; E811-R814 IonicContact OE1-NH2 3.12Å; E811-R814 PolarHBondContact OE1-NH2 2.89Å; E811-L815 WeakPolarHBondContact O-CB 3.36Å; E811-L815 PolarHBondContact O-N 2.61Å; E811-L815 VanDerWaalsContact O-N 3.11Å
812	E	81.8	Confident	82.8	Confident	58 Å²	58	74.6 Å²	74.6	27%	0.271	38%	0.384	S	S	.	.	H	α-helix	trans	-67.7	-45	177.4	-166.5	171.7	140	0	0	112	K760 F761 R808 D809 R814 L815 K816	K760-E812 WeakPolarHBondContact CA-OE1 3.32Å; K760-E812 WeakPolarHBondContact CB-OE1 3.35Å; F761-E812 HydrophobicContact CB-CG 4.16Å; F761-E812 PolarHBondContact N-OE1 2.99Å; R808-E812 PolarHBondContact O-N 3.13Å; D809-E812 PolarHBondContact O-N 3.27Å; E812-R814 PolarHBondContact O-N 2.85Å; E812-L815 WeakPolarHBondContact O-CA 3.42Å; E812-L815 WeakPolarHBondContact O-CB 3.46Å; E812-L815 PolarHBondContact O-N 3.06Å; E812-K816 PolarHBondContact O-N 3.49Å
813	Y	87	Confident	84.1	Confident	21 Å²	21	68.7 Å²	68.7	8%	0.082	34%	0.343	C	S	.	.	H	α-helix	trans	-53.5	-51.4	172.8	178.1	-90.9	0	0	0	112	H796 Q800 P801 D809 W810 L815 K816 E817	H796-Y813 AromaticContact CE1-CD1 3.99Å; H796-Y813 AromaticContact CE1-CD2 3.13Å; H796-Y813 WeakPolarHBondContact CE1-CD2 3.35Å; H796-Y813 AromaticContact CE1-CE2 3.25Å; H796-Y813 WeakPolarHBondContact CE1-CE2 3.35Å; H796-Y813 AromaticContact CE1-CG 3.54Å; H796-Y813 AromaticContact CE1-CZ 3.73Å; H796-Y813 PolarHBondContact CE1-O 3.27Å; H796-Y813 AromaticContact ND1-CD2 3.97Å; H796-Y813 AromaticContact ND1-CE2 3.64Å; H796-Y813 AromaticContact ND1-CZ 3.98Å; H796-Y813 AromaticContact NE2-CD2 3.35Å; H796-Y813 VanDerWaalsContact NE2-CD2 3.35Å; H796-Y813 WeakPolarHBondContact NE2-CD2 3.34Å; H796-Y813 AromaticContact NE2-CE2 3.81Å; H796-Y813 AromaticContact NE2-CG 3.88Å; H796-Y813 PolarHBondContact NE2-O 3.23Å; H796-Y813 VanDerWaalsContact O-CE2 3.22Å; H796-Y813 WeakPolarHBondContact O-CE2 3.2Å; Q800-Y813 HydrophobicContact CB-CE2 4.44Å; P801-Y813 HydrophobicContact CG-CD2 3.93Å; P801-Y813 HydrophobicContact CG-CG 4.04Å; D809-Y813 VanDerWaalsContact O-CB 3.3Å; D809-Y813 WeakPolarHBondContact O-CB 3.46Å; D809-Y813 PolarHBondContact O-N 3.49Å; W810-Y813 HydrophobicContact CE3-CD1 4.08Å; W810-Y813 HydrophobicContact CZ3-CD1 4.08Å; W810-Y813 HydrophobicContact CZ3-CE1 4.15Å; Y813-L815 PolarHBondContact O-N 3.18Å; Y813-K816 PolarHBondContact O-N 3.32Å; Y813-E817 PolarHBondContact O-N 2.99Å
814	R	87.6	Confident	85.1	Confident	101 Å²	101	68 Å²	68	38%	0.381	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-32.9	177	-67.9	175.6	-36.2	-143.7	6.3	112	P805 W810 E811 E812 H818	P805-R814 PolarHBondContact O-NH1 3.49Å; P805-R814 VanDerWaalsContact O-NH1 3.13Å; W810-R814 WeakPolarHBondContact O-CG 3.13Å; W810-R814 PolarHBondContact O-N 3.48Å; W810-R814 VanDerWaalsContact O-N 3.15Å; W810-R814 PolarHBondContact O-NE 3.12Å; E811-R814 IonicContact OE1-CZ 2.71Å; E811-R814 IonicContact OE1-NH2 3.12Å; E811-R814 PolarHBondContact OE1-NH2 2.89Å; E812-R814 PolarHBondContact O-N 2.85Å; R814-H818 WeakPolarHBondContact O-CB 3.36Å; R814-H818 PolarHBondContact O-N 3.42Å; R814-H818 VanDerWaalsContact O-N 3.12Å
815	L	85.4	Confident	86.2	Confident	70 Å²	70	65.5 Å²	65.5	37%	0.366	31%	0.311	S	S	.	.	H	α-helix	trans	-71.4	-41.8	177.8	-174.5	63.2	0	0	0	111.9	F761 E811 E812 Y813 Y819	F761-L815 HydrophobicContact CD1-CG 4.36Å; F761-L815 HydrophobicContact CE1-CG 4.36Å; E811-L815 WeakPolarHBondContact O-CB 3.36Å; E811-L815 PolarHBondContact O-N 2.61Å; E811-L815 VanDerWaalsContact O-N 3.11Å; E812-L815 WeakPolarHBondContact O-CA 3.42Å; E812-L815 WeakPolarHBondContact O-CB 3.46Å; E812-L815 PolarHBondContact O-N 3.06Å; Y813-L815 PolarHBondContact O-N 3.18Å; L815-Y819 WeakPolarHBondContact O-CB 3.4Å; L815-Y819 PolarHBondContact O-N 3.41Å
816	K	87.9	Confident	87.3	Confident	50 Å²	50	61.9 Å²	61.9	22%	0.217	29%	0.287	C	S	.	.	H	α-helix	trans	-68.8	-45.7	175.4	-178.9	164.6	176	169.6	0	111.7	F761 E792 H796 E812 Y813 H818 Y819 L820	F761-K816 HydrophobicContact CB-CB 4.06Å; F761-K816 HydrophobicContact CB-CD 4.06Å; F761-K816 HydrophobicContact CB-CG 4.41Å; F761-K816 HydrophobicContact CD1-CB 3.7Å; F761-K816 HydrophobicContact CD1-CG 4.31Å; F761-K816 HydrophobicContact CD2-CB 4.01Å; F761-K816 HydrophobicContact CD2-CD 3.65Å; F761-K816 HydrophobicContact CD2-CG 3.7Å; F761-K816 HydrophobicContact CE1-CB 4.23Å; F761-K816 HydrophobicContact CE2-CB 4.5Å; F761-K816 HydrophobicContact CE2-CD 4.41Å; F761-K816 HydrophobicContact CE2-CG 4.11Å; F761-K816 HydrophobicContact CG-CB 3.59Å; F761-K816 HydrophobicContact CG-CD 3.9Å; F761-K816 HydrophobicContact CG-CG 3.84Å; E792-K816 WeakPolarHBondContact OE1-CE 3.48Å; E792-K816 IonicContact OE1-NZ 2.7Å; E792-K816 PolarHBondContact OE1-NZ 2.93Å; H796-K816 VanDerWaalsContact CD2-CD 3.47Å; H796-K816 WeakPolarHBondContact CD2-CD 3.06Å; E812-K816 PolarHBondContact O-N 3.49Å; Y813-K816 PolarHBondContact O-N 3.32Å; K816-H818 VanDerWaalsContact C-N 3.35Å; K816-H818 PolarHBondContact O-N 2.98Å; K816-Y819 WeakPolarHBondContact O-CB 3.47Å; K816-Y819 PolarHBondContact O-N 2.85Å; K816-L820 HydrophobicContact CD-CD1 4.39Å; K816-L820 HydrophobicContact CG-CD1 3.83Å; K816-L820 HydrophobicContact CG-CG 4.24Å; K816-L820 WeakPolarHBondContact O-CG 3.18Å; K816-L820 PolarHBondContact O-N 2.89Å
817	E	92	Very high	88.5	Confident	55 Å²	55	54 Å²	54	26%	0.257	25%	0.253	S	S	.	.	H	α-helix	trans	-60.2	-44	176.8	-161.4	-161.3	-179.3	0	0	111.8	L793 R797 Y813 Y819 L820 T821	L793-E817 HydrophobicContact CD1-CG 3.76Å; R797-E817 IonicContact CZ-OE1 3.87Å; R797-E817 IonicContact NE-OE1 2.63Å; R797-E817 PolarHBondContact NE-OE1 3.3Å; R797-E817 IonicContact NH2-OE1 2.74Å; R797-E817 PolarHBondContact NH2-OE1 2.79Å; Y813-E817 PolarHBondContact O-N 2.99Å; E817-Y819 VanDerWaalsContact C-N 3.33Å; E817-Y819 PolarHBondContact O-N 3.36Å; E817-L820 PolarHBondContact O-N 3.45Å; E817-T821 VanDerWaalsContact O-CB 3.22Å; E817-T821 WeakPolarHBondContact O-CB 3.1Å; E817-T821 PolarHBondContact O-N 3.03Å; E817-T821 PolarHBondContact O-OG1 2.97Å
818	H	90.8	Very high	89.4	Confident	115 Å²	115	56.7 Å²	56.7	53%	0.532	26%	0.259	S	S	.	.	H	α-helix	trans	-69.1	-29.7	178.4	179.2	-123.5	0	0	0	112.9	W719 R814 K816 Y822	W719-H818 AromaticContact CH2-ND1 3.98Å; W719-H818 AromaticContact CZ3-CE1 3.65Å; W719-H818 AromaticContact CZ3-ND1 3.67Å; R814-H818 WeakPolarHBondContact O-CB 3.36Å; R814-H818 PolarHBondContact O-N 3.42Å; R814-H818 VanDerWaalsContact O-N 3.12Å; K816-H818 VanDerWaalsContact C-N 3.35Å; K816-H818 PolarHBondContact O-N 2.98Å; H818-Y822 WeakPolarHBondContact O-CB 3.4Å; H818-Y822 PolarHBondContact O-N 3.44Å
819	Y	91.2	Very high	90.3	Very high	11 Å²	11	49.5 Å²	49.5	4%	0.043	24%	0.236	C	C	.	.	H	α-helix	trans	-67.3	-57	168.9	173.5	-90.8	0	0	0	111.1	W719 F761 R763 P764 L815 K816 E817 T821 Y822 E823	W719-Y819 HydrophobicContact CH2-CD2 4.44Å; W719-Y819 AromaticContact CZ2-CD2 3.58Å; W719-Y819 HydrophobicContact CZ2-CD2 3.58Å; W719-Y819 HydrophobicContact CZ2-CE2 4.38Å; W719-Y819 HydrophobicContact CZ2-CG 4.33Å; F761-Y819 HydrophobicContact CE1-CG 4.15Å; F761-Y819 AromaticContact CE2-CD1 3.88Å; F761-Y819 HydrophobicContact CE2-CD1 3.88Å; F761-Y819 HydrophobicContact CE2-CE1 4.35Å; F761-Y819 HydrophobicContact CE2-CG 4.27Å; F761-Y819 AromaticContact CZ-CD1 3.47Å; F761-Y819 HydrophobicContact CZ-CD1 3.47Å; F761-Y819 VanDerWaalsContact CZ-CD1 3.47Å; F761-Y819 AromaticContact CZ-CD2 3.99Å; F761-Y819 HydrophobicContact CZ-CD2 3.99Å; F761-Y819 HydrophobicContact CZ-CE1 4.18Å; F761-Y819 AromaticContact CZ-CG 3.4Å; F761-Y819 HydrophobicContact CZ-CG 3.4Å; R763-Y819 HydrophobicContact CB-CD2 4.28Å; R763-Y819 HydrophobicContact CB-CE2 4.11Å; R763-Y819 HydrophobicContact CG-CD2 3.8Å; R763-Y819 HydrophobicContact CG-CE2 4.14Å; P764-Y819 VanDerWaalsContact CD-OH 3.31Å; P764-Y819 WeakPolarHBondContact CD-OH 3.47Å; L815-Y819 WeakPolarHBondContact O-CB 3.4Å; L815-Y819 PolarHBondContact O-N 3.41Å; K816-Y819 WeakPolarHBondContact O-CB 3.47Å; K816-Y819 PolarHBondContact O-N 2.85Å; E817-Y819 VanDerWaalsContact C-N 3.33Å; E817-Y819 PolarHBondContact O-N 3.36Å; Y819-T821 VanDerWaalsContact C-N 3.34Å; Y819-T821 PolarHBondContact O-N 2.89Å; Y819-Y822 WeakPolarHBondContact O-CB 2.85Å; Y819-Y822 PolarHBondContact O-N 3.08Å; Y819-E823 HydrophobicContact CD1-CG 3.98Å; Y819-E823 HydrophobicContact CD2-CG 4.27Å; Y819-E823 HydrophobicContact CE1-CG 3.46Å; Y819-E823 VanDerWaalsContact CE1-CG 3.46Å; Y819-E823 HydrophobicContact CE2-CG 3.77Å; Y819-E823 HydrophobicContact CG-CG 4.33Å; Y819-E823 WeakPolarHBondContact O-CG 3.49Å; Y819-E823 PolarHBondContact O-N 2.94Å; Y819-E823 VanDerWaalsContact OH-CD 3.26Å; Y819-E823 WeakPolarHBondContact OH-CG 3.44Å; Y819-E823 PolarHBondContact OH-OE2 3.2Å
820	L	92.8	Very high	91.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.4	-38.3	-174.9	-68.8	175.3	0	0	0	112.5	T789 E792 L793 H796 K816 E817 Y822 E823 K824	T789-L820 HydrophobicContact CG2-CD2 4.13Å; T789-L820 WeakPolarHBondContact CG2-O 3.37Å; E792-L820 HydrophobicContact CB-CD1 4.25Å; E792-L820 HydrophobicContact CB-CD2 4.32Å; E792-L820 HydrophobicContact CG-CD1 3.86Å; E792-L820 HydrophobicContact CG-CD2 4.2Å; E792-L820 WeakPolarHBondContact OE2-CD2 3.21Å; L793-L820 HydrophobicContact CB-CB 4.04Å; L793-L820 HydrophobicContact CB-CD1 4.43Å; L793-L820 HydrophobicContact CD1-CB 3.84Å; L793-L820 HydrophobicContact CG-CB 4.41Å; H796-L820 HydrophobicContact CB-CD1 4.21Å; K816-L820 HydrophobicContact CD-CD1 4.39Å; K816-L820 HydrophobicContact CG-CD1 3.83Å; K816-L820 HydrophobicContact CG-CG 4.24Å; K816-L820 WeakPolarHBondContact O-CG 3.18Å; K816-L820 PolarHBondContact O-N 2.89Å; E817-L820 PolarHBondContact O-N 3.45Å; L820-Y822 VanDerWaalsContact C-N 3.34Å; L820-Y822 PolarHBondContact O-N 3.32Å; L820-E823 PolarHBondContact O-N 2.73Å; L820-K824 WeakPolarHBondContact O-CB 3.36Å; L820-K824 PolarHBondContact O-N 3.25Å
821	T	94.1	Very high	91.9	Very high	51 Å²	51	42.8 Å²	42.8	31%	0.313	20%	0.203	S	C	.	.	H	α-helix	trans	-62.2	-40.4	173.4	-58.1	0	0	0	0	111.6	R797 E817 Y819 T825	R797-T821 PolarHBondContact NH2-OG1 2.78Å; E817-T821 VanDerWaalsContact O-CB 3.22Å; E817-T821 WeakPolarHBondContact O-CB 3.1Å; E817-T821 PolarHBondContact O-N 3.03Å; E817-T821 PolarHBondContact O-OG1 2.97Å; Y819-T821 VanDerWaalsContact C-N 3.34Å; Y819-T821 PolarHBondContact O-N 2.89Å; T821-T825 PolarHBondContact O-N 2.86Å; T821-T825 PolarHBondContact O-OG1 2.94Å
822	Y	94.1	Very high	92.6	Very high	30 Å²	30	40.5 Å²	40.5	12%	0.118	20%	0.199	C	C	.	.	H	α-helix	trans	-69.1	-43.6	176.9	170	-100.8	0	0	0	112.7	L698 K715 W719 H818 Y819 L820 T825 R826	L698-Y822 HydrophobicContact CB-CE2 3.96Å; L698-Y822 WeakPolarHBondContact CB-OH 3.31Å; L698-Y822 HydrophobicContact CD2-CD2 4.34Å; L698-Y822 HydrophobicContact CD2-CE2 3.87Å; K715-Y822 HydrophobicContact CB-CE2 4.21Å; K715-Y822 HydrophobicContact CD-CD2 4.03Å; K715-Y822 HydrophobicContact CD-CE1 4.3Å; K715-Y822 HydrophobicContact CD-CE2 3.5Å; K715-Y822 HydrophobicContact CG-CE2 4.13Å; K715-Y822 VanDerWaalsContact NZ-CE1 3.35Å; K715-Y822 PolarHBondContact O-OH 2.93Å; W719-Y822 AromaticContact CZ2-CD1 3.91Å; W719-Y822 HydrophobicContact CZ2-CD1 3.91Å; W719-Y822 HydrophobicContact CZ2-CG 4.46Å; H818-Y822 WeakPolarHBondContact O-CB 3.4Å; H818-Y822 PolarHBondContact O-N 3.44Å; Y819-Y822 WeakPolarHBondContact O-CB 2.85Å; Y819-Y822 PolarHBondContact O-N 3.08Å; L820-Y822 VanDerWaalsContact C-N 3.34Å; L820-Y822 PolarHBondContact O-N 3.32Å; Y822-T825 PolarHBondContact O-N 3.34Å; Y822-R826 PolarHBondContact O-N 3.27Å
823	E	93.5	Very high	93.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-42.5	177.5	-68.5	-69.7	107.5	0	0	111.3	T789 Y819 L820 R826 Y827	T789-E823 HydrophobicContact CG2-CB 3.73Å; Y819-E823 HydrophobicContact CD1-CG 3.98Å; Y819-E823 HydrophobicContact CD2-CG 4.27Å; Y819-E823 HydrophobicContact CE1-CG 3.46Å; Y819-E823 VanDerWaalsContact CE1-CG 3.46Å; Y819-E823 HydrophobicContact CE2-CG 3.77Å; Y819-E823 HydrophobicContact CG-CG 4.33Å; Y819-E823 WeakPolarHBondContact O-CG 3.49Å; Y819-E823 PolarHBondContact O-N 2.94Å; Y819-E823 VanDerWaalsContact OH-CD 3.26Å; Y819-E823 WeakPolarHBondContact OH-CG 3.44Å; Y819-E823 PolarHBondContact OH-OE2 3.2Å; L820-E823 PolarHBondContact O-N 2.73Å; E823-R826 VanDerWaalsContact CD-NH2 3.35Å; E823-R826 PolarHBondContact O-N 3.43Å; E823-R826 IonicContact OE1-CZ 2.71Å; E823-R826 IonicContact OE1-NH1 2.76Å; E823-R826 PolarHBondContact OE1-NH1 3.28Å; E823-R826 IonicContact OE1-NH2 2.66Å; E823-R826 PolarHBondContact OE1-NH2 2.77Å; E823-R826 IonicContact OE2-CZ 3.44Å; E823-R826 IonicContact OE2-NH1 2.58Å; E823-R826 PolarHBondContact OE2-NH1 3.43Å; E823-R826 IonicContact OE2-NH2 2.72Å; E823-R826 PolarHBondContact OE2-NH2 3.34Å; E823-Y827 VanDerWaalsContact O-CD2 3.23Å; E823-Y827 WeakPolarHBondContact O-CD2 3.12Å; E823-Y827 PolarHBondContact O-N 2.83Å
824	K	94.7	Very high	93.5	Very high	45 Å²	45	37.2 Å²	37.2	20%	0.196	19%	0.185	C	C	.	.	H	α-helix	trans	-53.5	-55.5	173.3	176.1	159.2	-178.9	146.6	0	110.4	L786 T789 S790 L793 E794 L820 R826 Y827 E828	L786-K824 HydrophobicContact CD1-CG 3.98Å; T789-K824 HydrophobicContact CG2-CB 4.22Å; S790-K824 VanDerWaalsContact CB-NZ 3.33Å; S790-K824 WeakPolarHBondContact OG-CD 3.4Å; S790-K824 WeakPolarHBondContact OG-CE 3.4Å; S790-K824 PolarHBondContact OG-NZ 3.42Å; L793-K824 HydrophobicContact CD2-CD 4.07Å; E794-K824 IonicContact OE1-NZ 3.53Å; L820-K824 WeakPolarHBondContact O-CB 3.36Å; L820-K824 PolarHBondContact O-N 3.25Å; K824-R826 VanDerWaalsContact C-N 3.29Å; K824-R826 PolarHBondContact O-N 2.88Å; K824-Y827 PolarHBondContact O-N 2.85Å; K824-Y827 VanDerWaalsContact O-N 3.11Å; K824-E828 WeakPolarHBondContact CE-OE1 3.44Å; K824-E828 HydrophobicContact CG-CG 4.23Å; K824-E828 VanDerWaalsContact CG-OE1 3.29Å; K824-E828 WeakPolarHBondContact CG-OE1 3.43Å; K824-E828 WeakPolarHBondContact O-CB 3.34Å; K824-E828 VanDerWaalsContact O-CG 3.28Å; K824-E828 WeakPolarHBondContact O-CG 3.4Å; K824-E828 PolarHBondContact O-N 3.3Å
825	T	96.2	Very high	93.8	Very high	46 Å²	46	35.6 Å²	35.6	28%	0.282	18%	0.182	S	C	.	.	H	α-helix	trans	-63	-30.3	178.5	-57	0	0	0	0	113.9	L698 T821 Y822 E828 T829	L698-T825 HydrophobicContact CD2-CG2 4.27Å; T821-T825 PolarHBondContact O-N 2.86Å; T821-T825 PolarHBondContact O-OG1 2.94Å; Y822-T825 PolarHBondContact O-N 3.34Å; T825-E828 VanDerWaalsContact CA-OE2 3.25Å; T825-E828 WeakPolarHBondContact CA-OE2 3.44Å; T825-T829 WeakPolarHBondContact O-CB 3.3Å; T825-T829 PolarHBondContact O-N 3.02Å; T825-T829 VanDerWaalsContact O-N 3.15Å; T825-T829 PolarHBondContact O-OG1 3.25Å
826	R	96	Very high	94	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-65.7	-49.2	171.2	-170.4	-178.1	75.6	-133.4	-13.6	111.4	H696 L698 Y822 E823 K824 T829 Y830	H696-R826 WeakPolarHBondContact O-CD 3.35Å; H696-R826 PolarHBondContact O-NH1 2.82Å; L698-R826 HydrophobicContact CB-CG 4.27Å; L698-R826 HydrophobicContact CD1-CG 4.35Å; L698-R826 HydrophobicContact CD2-CB 4.18Å; Y822-R826 PolarHBondContact O-N 3.27Å; E823-R826 VanDerWaalsContact CD-NH2 3.35Å; E823-R826 PolarHBondContact O-N 3.43Å; E823-R826 IonicContact OE1-CZ 2.71Å; E823-R826 IonicContact OE1-NH1 2.76Å; E823-R826 PolarHBondContact OE1-NH1 3.28Å; E823-R826 IonicContact OE1-NH2 2.66Å; E823-R826 PolarHBondContact OE1-NH2 2.77Å; E823-R826 IonicContact OE2-CZ 3.44Å; E823-R826 IonicContact OE2-NH1 2.58Å; E823-R826 PolarHBondContact OE2-NH1 3.43Å; E823-R826 IonicContact OE2-NH2 2.72Å; E823-R826 PolarHBondContact OE2-NH2 3.34Å; K824-R826 VanDerWaalsContact C-N 3.29Å; K824-R826 PolarHBondContact O-N 2.88Å; R826-T829 WeakPolarHBondContact O-CB 3.06Å; R826-T829 PolarHBondContact O-N 3.06Å; R826-Y830 WeakPolarHBondContact CD-OH 3.26Å; R826-Y830 HydrophobicContact CG-CD1 4.02Å; R826-Y830 HydrophobicContact CG-CD2 4.34Å; R826-Y830 HydrophobicContact CG-CE1 3.57Å; R826-Y830 HydrophobicContact CG-CE2 3.94Å; R826-Y830 HydrophobicContact CG-CG 4.39Å; R826-Y830 VanDerWaalsContact O-CD1 3.29Å; R826-Y830 WeakPolarHBondContact O-CD1 3.45Å; R826-Y830 PolarHBondContact O-N 2.92Å
827	Y	97	Very high	94.2	Very high	8 Å²	8	31.9 Å²	31.9	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-71.7	-34.4	-178.2	-72.4	-67.3	0	0	0	112.9	H782 K785 E823 K824 T829 Y830 V831	H782-Y827 HydrophobicContact CB-CD1 3.94Å; H782-Y827 HydrophobicContact CB-CE1 4.44Å; H782-Y827 AromaticContact CG-CD1 3.98Å; H782-Y827 AromaticContact ND1-CD1 3.77Å; H782-Y827 AromaticContact ND1-CE1 3.42Å; H782-Y827 WeakPolarHBondContact ND1-CE1 3.42Å; K785-Y827 HydrophobicContact CB-CD1 4.33Å; K785-Y827 HydrophobicContact CB-CD2 4.47Å; K785-Y827 HydrophobicContact CB-CE1 4.14Å; K785-Y827 HydrophobicContact CB-CE2 4.3Å; K785-Y827 HydrophobicContact CB-CG 4.49Å; K785-Y827 HydrophobicContact CD-CE2 4.49Å; K785-Y827 HydrophobicContact CG-CD1 4.37Å; K785-Y827 HydrophobicContact CG-CD2 3.9Å; K785-Y827 HydrophobicContact CG-CE1 3.91Å; K785-Y827 HydrophobicContact CG-CE2 3.38Å; K785-Y827 HydrophobicContact CG-CG 4.38Å; E823-Y827 VanDerWaalsContact O-CD2 3.23Å; E823-Y827 WeakPolarHBondContact O-CD2 3.12Å; E823-Y827 PolarHBondContact O-N 2.83Å; K824-Y827 PolarHBondContact O-N 2.85Å; K824-Y827 VanDerWaalsContact O-N 3.11Å; Y827-T829 VanDerWaalsContact C-N 3.29Å; Y827-T829 PolarHBondContact O-N 2.81Å; Y827-Y830 HydrophobicContact CD1-CD2 4.35Å; Y827-Y830 HydrophobicContact CE1-CD2 4.46Å; Y827-Y830 PolarHBondContact O-N 3.46Å; Y827-V831 WeakPolarHBondContact O-CB 3.37Å; Y827-V831 VanDerWaalsContact O-CG2 3.25Å; Y827-V831 WeakPolarHBondContact O-CG2 3.28Å; Y827-V831 PolarHBondContact O-N 3.49Å
828	E	97.4	Very high	94.1	Very high	80 Å²	80	31.7 Å²	31.7	37%	0.374	17%	0.168	S	C	.	.	H	α-helix	trans	-53.5	-48	167.2	-71.7	167.1	161.3	0	0	110.8	L786 K824 T825 S832	L786-E828 HydrophobicContact CD1-CG 3.64Å; L786-E828 HydrophobicContact CD2-CG 4.05Å; K824-E828 WeakPolarHBondContact CE-OE1 3.44Å; K824-E828 HydrophobicContact CG-CG 4.23Å; K824-E828 VanDerWaalsContact CG-OE1 3.29Å; K824-E828 WeakPolarHBondContact CG-OE1 3.43Å; K824-E828 WeakPolarHBondContact O-CB 3.34Å; K824-E828 VanDerWaalsContact O-CG 3.28Å; K824-E828 WeakPolarHBondContact O-CG 3.4Å; K824-E828 PolarHBondContact O-N 3.3Å; T825-E828 VanDerWaalsContact CA-OE2 3.25Å; T825-E828 WeakPolarHBondContact CA-OE2 3.44Å; E828-S832 WeakPolarHBondContact O-CB 3.33Å; E828-S832 PolarHBondContact O-N 3.41Å; E828-S832 VanDerWaalsContact O-N 3.12Å
829	T	96.4	Very high	94	Very high	35 Å²	35	33.7 Å²	33.7	22%	0.215	18%	0.177	C	C	.	.	H	α-helix	trans	-65.2	-43.2	177.7	-54.3	0	0	0	0	112	L698 N740 T825 R826 Y827 L833	L698-T829 HydrophobicContact CD1-CG2 4Å; N740-T829 HydrophobicContact CB-CG2 4.12Å; T825-T829 WeakPolarHBondContact O-CB 3.3Å; T825-T829 PolarHBondContact O-N 3.02Å; T825-T829 VanDerWaalsContact O-N 3.15Å; T825-T829 PolarHBondContact O-OG1 3.25Å; R826-T829 WeakPolarHBondContact O-CB 3.06Å; R826-T829 PolarHBondContact O-N 3.06Å; Y827-T829 VanDerWaalsContact C-N 3.29Å; Y827-T829 PolarHBondContact O-N 2.81Å; T829-L833 HydrophobicContact CG2-CD1 3.89Å; T829-L833 WeakPolarHBondContact O-CB 3.48Å; T829-L833 VanDerWaalsContact O-CG 3.26Å; T829-L833 WeakPolarHBondContact O-CG 3.47Å; T829-L833 PolarHBondContact O-N 3.26Å; T829-L833 VanDerWaalsContact O-N 3.09Å
830	Y	96.9	Very high	93.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.4	-44.3	-178.1	-74.5	9.7	0	0	0	112.2	H696 A697 A743 A744 H782 R826 Y827 L833 L834	H696-Y830 VanDerWaalsContact C-OH 3.23Å; H696-Y830 WeakPolarHBondContact CA-OH 3.25Å; A697-Y830 PolarHBondContact N-OH 3.44Å; A697-Y830 PolarHBondContact O-OH 3.31Å; A743-Y830 HydrophobicContact CB-CE1 4.1Å; A743-Y830 WeakPolarHBondContact CB-OH 3.43Å; A744-Y830 HydrophobicContact CB-CD1 3.73Å; A744-Y830 HydrophobicContact CB-CD2 4.04Å; A744-Y830 HydrophobicContact CB-CE1 4.34Å; A744-Y830 HydrophobicContact CB-CG 3.56Å; H782-Y830 AromaticContact NE2-CD2 3.79Å; R826-Y830 WeakPolarHBondContact CD-OH 3.26Å; R826-Y830 HydrophobicContact CG-CD1 4.02Å; R826-Y830 HydrophobicContact CG-CD2 4.34Å; R826-Y830 HydrophobicContact CG-CE1 3.57Å; R826-Y830 HydrophobicContact CG-CE2 3.94Å; R826-Y830 HydrophobicContact CG-CG 4.39Å; R826-Y830 VanDerWaalsContact O-CD1 3.29Å; R826-Y830 WeakPolarHBondContact O-CD1 3.45Å; R826-Y830 PolarHBondContact O-N 2.92Å; Y827-Y830 HydrophobicContact CD1-CD2 4.35Å; Y827-Y830 HydrophobicContact CE1-CD2 4.46Å; Y827-Y830 PolarHBondContact O-N 3.46Å; Y830-L833 PolarHBondContact O-N 2.97Å; Y830-L834 WeakPolarHBondContact O-CG 3.29Å; Y830-L834 PolarHBondContact O-N 2.85Å
831	V	96.4	Very high	93.3	Very high	12 Å²	12	43.9 Å²	43.9	7%	0.073	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-50.8	176.4	167.1	0	0	0	0	110	L779 H782 E783 L786 Y827 L833 L834 Q835	L779-V831 HydrophobicContact CD1-CB 4.32Å; L779-V831 HydrophobicContact CD1-CG1 4Å; L779-V831 HydrophobicContact CD1-CG2 4.35Å; H782-V831 HydrophobicContact CB-CG2 3.8Å; E783-V831 HydrophobicContact CB-CG2 4.42Å; E783-V831 HydrophobicContact CG-CB 4.46Å; E783-V831 HydrophobicContact CG-CG1 3.79Å; E783-V831 HydrophobicContact CG-CG2 3.76Å; L786-V831 HydrophobicContact CD2-CG2 4.28Å; Y827-V831 WeakPolarHBondContact O-CB 3.37Å; Y827-V831 VanDerWaalsContact O-CG2 3.25Å; Y827-V831 WeakPolarHBondContact O-CG2 3.28Å; Y827-V831 PolarHBondContact O-N 3.49Å; V831-L833 VanDerWaalsContact C-N 3.34Å; V831-L833 PolarHBondContact O-N 3.46Å; V831-L834 PolarHBondContact O-N 3.35Å; V831-Q835 HydrophobicContact CG1-CG 4.34Å; V831-Q835 VanDerWaalsContact CG1-NE2 3.34Å; V831-Q835 WeakPolarHBondContact O-CB 3.44Å; V831-Q835 VanDerWaalsContact O-CG 3.27Å; V831-Q835 WeakPolarHBondContact O-CG 3.38Å; V831-Q835 PolarHBondContact O-N 3.27Å
832	S	95.1	Very high	92.9	Very high	60 Å²	60	43.6 Å²	43.6	42%	0.42	23%	0.23	S	C	.	.	H	α-helix	trans	-58.3	-42.4	178.7	178.8	0	0	0	0	112.9	E828 A836	E828-S832 WeakPolarHBondContact O-CB 3.33Å; E828-S832 PolarHBondContact O-N 3.41Å; E828-S832 VanDerWaalsContact O-N 3.12Å; S832-A836 VanDerWaalsContact O-CB 3.29Å; S832-A836 WeakPolarHBondContact O-CB 3.5Å; S832-A836 PolarHBondContact O-N 2.8Å
833	L	94.4	Very high	92.3	Very high	11 Å²	11	48.1 Å²	48.1	6%	0.058	26%	0.256	C	S	.	.	H	α-helix	trans	-72.4	-37.9	179.9	-71	173.2	0	0	0	113.6	F737 N740 L741 T829 Y830 V831 K837 V852	F737-L833 HydrophobicContact CD2-CD2 3.62Å; F737-L833 HydrophobicContact CE2-CD2 3.5Å; N740-L833 HydrophobicContact CB-CD1 3.43Å; N740-L833 VanDerWaalsContact CB-CD1 3.43Å; L741-L833 HydrophobicContact CD1-CB 4.3Å; T829-L833 HydrophobicContact CG2-CD1 3.89Å; T829-L833 WeakPolarHBondContact O-CB 3.48Å; T829-L833 VanDerWaalsContact O-CG 3.26Å; T829-L833 WeakPolarHBondContact O-CG 3.47Å; T829-L833 PolarHBondContact O-N 3.26Å; T829-L833 VanDerWaalsContact O-N 3.09Å; Y830-L833 PolarHBondContact O-N 2.97Å; V831-L833 VanDerWaalsContact C-N 3.34Å; V831-L833 PolarHBondContact O-N 3.46Å; L833-K837 PolarHBondContact O-N 3.26Å; L833-V852 HydrophobicContact CD2-CG1 4.39Å
834	L	93	Very high	92	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-70.1	-43	174.8	-70.3	-173.7	0	0	0	111.6	A744 L745 Q778 L779 Y830 V831 A836 K837 I838	A744-L834 HydrophobicContact CB-CD2 4.24Å; A744-L834 HydrophobicContact CB-CG 4.12Å; L745-L834 HydrophobicContact CD2-CD2 3.58Å; L745-L834 HydrophobicContact CG-CD2 3.83Å; Q778-L834 HydrophobicContact CB-CD1 4.36Å; Q778-L834 HydrophobicContact CG-CD1 3.86Å; L779-L834 HydrophobicContact CB-CB 4.29Å; L779-L834 HydrophobicContact CB-CD1 4.19Å; L779-L834 HydrophobicContact CD1-CB 4.17Å; Y830-L834 WeakPolarHBondContact O-CG 3.29Å; Y830-L834 PolarHBondContact O-N 2.85Å; V831-L834 PolarHBondContact O-N 3.35Å; L834-A836 VanDerWaalsContact C-N 3.33Å; L834-A836 PolarHBondContact O-N 3.48Å; L834-K837 PolarHBondContact O-N 2.91Å; L834-I838 WeakPolarHBondContact O-CG1 3.47Å; L834-I838 PolarHBondContact O-N 3.45Å
835	Q	93.8	Very high	91.6	Very high	67 Å²	67	50 Å²	50	31%	0.313	27%	0.268	S	S	.	.	H	α-helix	trans	-56.1	-49	172.4	-73.8	172.5	-9.2	0	0	110.4	L779 E783 V831 K837 I838 H839	L779-Q835 HydrophobicContact CD1-CG 3.74Å; L779-Q835 HydrophobicContact CD2-CG 3.72Å; L779-Q835 HydrophobicContact CG-CG 4.41Å; E783-Q835 PolarHBondContact OE1-NE2 3.05Å; V831-Q835 HydrophobicContact CG1-CG 4.34Å; V831-Q835 VanDerWaalsContact CG1-NE2 3.34Å; V831-Q835 WeakPolarHBondContact O-CB 3.44Å; V831-Q835 VanDerWaalsContact O-CG 3.27Å; V831-Q835 WeakPolarHBondContact O-CG 3.38Å; V831-Q835 PolarHBondContact O-N 3.27Å; Q835-K837 VanDerWaalsContact C-N 3.33Å; Q835-K837 PolarHBondContact O-N 3.03Å; Q835-I838 PolarHBondContact O-N 3.48Å; Q835-H839 WeakPolarHBondContact O-CB 3.31Å; Q835-H839 PolarHBondContact O-N 3.19Å; Q835-H839 PolarHBondContact O-ND1 3Å
836	A	91	Very high	91.1	Very high	29 Å²	29	54.6 Å²	54.6	24%	0.24	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-35.9	178.1	0	0	0	0	0	113.5	S832 L834 A840 V852	S832-A836 VanDerWaalsContact O-CB 3.29Å; S832-A836 WeakPolarHBondContact O-CB 3.5Å; S832-A836 PolarHBondContact O-N 2.8Å; L834-A836 VanDerWaalsContact C-N 3.33Å; L834-A836 PolarHBondContact O-N 3.48Å; A836-A840 WeakPolarHBondContact O-CB 3.45Å; A836-A840 PolarHBondContact O-N 3.03Å; A836-V852 HydrophobicContact CB-CG2 3.5Å
837	K	91.1	Very high	90.6	Very high	13 Å²	13	60.8 Å²	60.8	6%	0.057	31%	0.313	C	S	.	.	H	α-helix	trans	-67	-45.7	173.8	170.8	155	174.1	37.7	0	112.2	L741 L745 L833 L834 Q835 A840 T842 D843 I848	L741-K837 HydrophobicContact CD1-CB 4.45Å; L741-K837 HydrophobicContact CD1-CD 4.4Å; L745-K837 HydrophobicContact CD1-CD 4.41Å; L745-K837 HydrophobicContact CD2-CD 4.35Å; L833-K837 PolarHBondContact O-N 3.26Å; L834-K837 PolarHBondContact O-N 2.91Å; Q835-K837 VanDerWaalsContact C-N 3.33Å; Q835-K837 PolarHBondContact O-N 3.03Å; K837-A840 PolarHBondContact O-N 3.38Å; K837-T842 PolarHBondContact NZ-O 3.36Å; K837-D843 WeakPolarHBondContact CE-OD1 3.41Å; K837-D843 IonicContact NZ-OD1 3.95Å; K837-D843 PolarHBondContact NZ-OD1 3.2Å; K837-I848 HydrophobicContact CB-CD1 4.2Å; K837-I848 HydrophobicContact CD-CD1 4.02Å; K837-I848 HydrophobicContact CG-CD1 3.91Å
838	I	90.8	Very high	90.1	Very high	51 Å²	51	60.5 Å²	60.5	26%	0.262	31%	0.312	S	S	.	.	H	α-helix	trans	-64.4	-46.6	-179.2	-69.4	164.3	0	0	0	110.2	Q775 L779 L834 Q835 A840 E841	Q775-I838 HydrophobicContact CB-CD1 4.4Å; L779-I838 HydrophobicContact CB-CD1 4.35Å; L779-I838 HydrophobicContact CD2-CD1 3.84Å; L834-I838 WeakPolarHBondContact O-CG1 3.47Å; L834-I838 PolarHBondContact O-N 3.45Å; Q835-I838 PolarHBondContact O-N 3.48Å; I838-A840 PolarHBondContact O-N 3.05Å; I838-E841 PolarHBondContact O-N 3.44Å
839	H	88.6	Confident	89.8	Confident	157 Å²	157	57.7 Å²	57.7	73%	0.727	30%	0.299	S	S	*	.	H	α-helix	trans	-65.8	-17.4	177.4	-73.1	80.8	0	0	0	114.4	Q835 E841	Q835-H839 WeakPolarHBondContact O-CB 3.31Å; Q835-H839 PolarHBondContact O-N 3.19Å; Q835-H839 PolarHBondContact O-ND1 3Å; H839-E841 VanDerWaalsContact C-N 3.35Å
840	A	86.8	Confident	89.3	Confident	36 Å²	36	58.9 Å²	58.9	30%	0.298	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.3	177.8	0	0	0	0	0	113.4	A836 K837 I838 T842 I848	A836-A840 WeakPolarHBondContact O-CB 3.45Å; A836-A840 PolarHBondContact O-N 3.03Å; K837-A840 PolarHBondContact O-N 3.38Å; I838-A840 PolarHBondContact O-N 3.05Å; A840-T842 HydrophobicContact CB-CG2 4.11Å; A840-T842 WeakPolarHBondContact O-CB 3.2Å; A840-T842 WeakPolarHBondContact O-CG2 3.46Å; A840-T842 PolarHBondContact O-N 3.31Å; A840-I848 HydrophobicContact CB-CG1 3.94Å
841	E	82.8	Confident	88.8	Confident	188 Å²	188	62.8 Å²	62.8	88%	0.879	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	31.2	179.4	-62.2	-173.7	178	0	0	114.1	I838 H839	I838-E841 PolarHBondContact O-N 3.44Å; H839-E841 VanDerWaalsContact C-N 3.35Å
842	T	84.7	Confident	88.3	Confident	46 Å²	46	63.3 Å²	63.3	28%	0.282	34%	0.343	S	S	.	.			trans	-146.3	152.4	-173.4	-159.9	0	0	0	0	113	K837 A840 D844 K847 I848	K837-T842 PolarHBondContact NZ-O 3.36Å; A840-T842 HydrophobicContact CB-CG2 4.11Å; A840-T842 WeakPolarHBondContact O-CB 3.2Å; A840-T842 WeakPolarHBondContact O-CG2 3.46Å; A840-T842 PolarHBondContact O-N 3.31Å; T842-D844 HydrophobicContact CG2-CB 4.18Å; T842-D844 PolarHBondContact OG1-N 3.12Å; T842-K847 HydrophobicContact CG2-CB 4.43Å; T842-I848 HydrophobicContact CG2-CD1 4.49Å; T842-I848 HydrophobicContact CG2-CG1 3.92Å
843	D	82.6	Confident	87.7	Confident	124 Å²	124	61.9 Å²	61.9	66%	0.663	33%	0.331	S	S	*	.			trans	-98	2.3	167.6	-72.1	-51.1	0	0	0	112.6	K837 L845	K837-D843 WeakPolarHBondContact CE-OD1 3.41Å; K837-D843 IonicContact NZ-OD1 3.95Å; K837-D843 PolarHBondContact NZ-OD1 3.2Å; D843-L845 PolarHBondContact O-N 3Å
844	D	85.8	Confident	86.9	Confident	55 Å²	55	65 Å²	65	29%	0.294	35%	0.354	S	S	.	.			trans	-70.3	92.4	169.7	-172	-34.5	0	0	0	110.4	T842 E846 K847 I848	T842-D844 HydrophobicContact CG2-CB 4.18Å; T842-D844 PolarHBondContact OG1-N 3.12Å; D844-E846 PolarHBondContact O-N 2.96Å; D844-E846 WeakPolarHBondContact OD1-CB 3.14Å; D844-E846 PolarHBondContact OD1-N 3.29Å; D844-K847 HydrophobicContact CB-CB 4.15Å; D844-K847 HydrophobicContact CB-CD 4.12Å; D844-K847 HydrophobicContact CB-CG 4.11Å; D844-K847 PolarHBondContact O-N 3.23Å; D844-K847 VanDerWaalsContact O-N 3.11Å; D844-K847 PolarHBondContact OD1-N 3.22Å; D844-K847 IonicContact OD2-NZ 2.84Å; D844-K847 PolarHBondContact OD2-NZ 2.94Å; D844-I848 WeakPolarHBondContact O-CG1 3.42Å; D844-I848 PolarHBondContact O-N 2.9Å; D844-I848 VanDerWaalsContact O-N 3.12Å
845	L	85.9	Confident	85.6	Confident	30 Å²	30	66.7 Å²	66.7	16%	0.157	37%	0.371	C	S	.	.	H	α-helix	trans	-58.5	-27.1	-179.2	-59.5	175	0	0	0	113.3	Y633 R738 L741 D843 I848 E849	Y633-L845 HydrophobicContact CD1-CD1 3.63Å; Y633-L845 HydrophobicContact CE1-CD1 4.16Å; R738-L845 VanDerWaalsContact CZ-CB 3.49Å; R738-L845 PolarHBondContact NH2-O 3.28Å; L741-L845 HydrophobicContact CD2-CD2 3.92Å; D843-L845 PolarHBondContact O-N 3Å; L845-I848 HydrophobicContact CD2-CD1 4.31Å; L845-E849 WeakPolarHBondContact O-CB 3.34Å; L845-E849 PolarHBondContact O-N 3.33Å
846	E	86.6	Confident	84.1	Confident	144 Å²	144	69 Å²	69	67%	0.673	38%	0.383	S	S	*	.	H	α-helix	trans	-75.5	-36.9	177.9	-67	-179.8	-172	0	0	111.1	R738 D844 A850	R738-E846 VanDerWaalsContact NH2-CG 3.3Å; D844-E846 PolarHBondContact O-N 2.96Å; D844-E846 WeakPolarHBondContact OD1-CB 3.14Å; D844-E846 PolarHBondContact OD1-N 3.29Å; E846-A850 VanDerWaalsContact O-CB 3.28Å; E846-A850 WeakPolarHBondContact O-CB 3.42Å; E846-A850 PolarHBondContact O-N 3.04Å
847	K	85.3	Confident	82.4	Confident	131 Å²	131	73.8 Å²	73.8	57%	0.57	40%	0.402	S	S	*	.	H	α-helix	trans	-65.4	-43.7	171.1	-70.3	-174.3	-178	81.5	0	112.5	T842 D844 E849 A850 S851	T842-K847 HydrophobicContact CG2-CB 4.43Å; D844-K847 HydrophobicContact CB-CB 4.15Å; D844-K847 HydrophobicContact CB-CD 4.12Å; D844-K847 HydrophobicContact CB-CG 4.11Å; D844-K847 PolarHBondContact O-N 3.23Å; D844-K847 VanDerWaalsContact O-N 3.11Å; D844-K847 PolarHBondContact OD1-N 3.22Å; D844-K847 IonicContact OD2-NZ 2.84Å; D844-K847 PolarHBondContact OD2-NZ 2.94Å; K847-E849 VanDerWaalsContact C-N 3.35Å; K847-A850 PolarHBondContact O-N 2.89Å; K847-S851 WeakPolarHBondContact O-CB 3.42Å; K847-S851 PolarHBondContact O-N 3.02Å
848	I	87.1	Confident	80.4	Confident	1 Å²	1	76.5 Å²	76.5	1%	0.005	42%	0.422	C	S	.	.	H	α-helix	trans	-62.7	-45.6	177	-51.4	166.3	0	0	0	109.8	F737 K837 A840 T842 D844 L845 S851 V852	F737-I848 HydrophobicContact CZ-CB 4.28Å; F737-I848 HydrophobicContact CZ-CG2 3.91Å; K837-I848 HydrophobicContact CB-CD1 4.2Å; K837-I848 HydrophobicContact CD-CD1 4.02Å; K837-I848 HydrophobicContact CG-CD1 3.91Å; A840-I848 HydrophobicContact CB-CG1 3.94Å; T842-I848 HydrophobicContact CG2-CD1 4.49Å; T842-I848 HydrophobicContact CG2-CG1 3.92Å; D844-I848 WeakPolarHBondContact O-CG1 3.42Å; D844-I848 PolarHBondContact O-N 2.9Å; D844-I848 VanDerWaalsContact O-N 3.12Å; L845-I848 HydrophobicContact CD2-CD1 4.31Å; I848-S851 WeakPolarHBondContact O-CB 3.16Å; I848-S851 PolarHBondContact O-N 2.99Å; I848-V852 HydrophobicContact CG2-CG2 4.42Å; I848-V852 WeakPolarHBondContact O-CG2 3.13Å; I848-V852 PolarHBondContact O-N 3.17Å
849	E	90.3	Very high	78.3	Confident	21 Å²	21	79 Å²	79	10%	0.098	44%	0.437	C	S	.	.	H	α-helix	trans	-61.1	-47.3	178.4	-176.1	171.7	166.8	0	0	112.3	S734 F737 R738 L845 K847 S851 V852 L853	S734-E849 WeakPolarHBondContact CA-OE1 3.11Å; S734-E849 WeakPolarHBondContact CB-OE1 3.44Å; S734-E849 PolarHBondContact OG-OE1 3.37Å; F737-E849 HydrophobicContact CD1-CB 3.74Å; F737-E849 HydrophobicContact CD1-CG 3.64Å; F737-E849 HydrophobicContact CE1-CB 3.51Å; F737-E849 HydrophobicContact CE1-CG 3.98Å; F737-E849 HydrophobicContact CG-CB 4.41Å; F737-E849 HydrophobicContact CG-CG 4.03Å; F737-E849 HydrophobicContact CZ-CB 4Å; R738-E849 IonicContact CZ-OE2 3.78Å; R738-E849 IonicContact NE-OE2 2.67Å; R738-E849 PolarHBondContact NE-OE2 3.06Å; R738-E849 IonicContact NH2-OE2 3.99Å; R738-E849 PolarHBondContact NH2-OE2 3.23Å; L845-E849 WeakPolarHBondContact O-CB 3.34Å; L845-E849 PolarHBondContact O-N 3.33Å; K847-E849 VanDerWaalsContact C-N 3.35Å; E849-S851 VanDerWaalsContact C-N 3.31Å; E849-S851 PolarHBondContact O-N 3.43Å; E849-V852 PolarHBondContact O-N 3.01Å; E849-L853 HydrophobicContact CG-CD1 3.72Å; E849-L853 HydrophobicContact CG-CG 4.26Å; E849-L853 VanDerWaalsContact O-CB 3.31Å; E849-L853 WeakPolarHBondContact O-CB 3.36Å; E849-L853 VanDerWaalsContact O-CG 3.29Å; E849-L853 WeakPolarHBondContact O-CG 3.38Å; E849-L853 PolarHBondContact O-N 3.34Å
850	A	87.1	Confident	76.1	Confident	61 Å²	61	75.1 Å²	75.1	50%	0.504	43%	0.432	S	S	.	.	H	α-helix	trans	-61	-39.5	175.9	0	0	0	0	0	112	E846 K847 S854	E846-A850 VanDerWaalsContact O-CB 3.28Å; E846-A850 WeakPolarHBondContact O-CB 3.42Å; E846-A850 PolarHBondContact O-N 3.04Å; K847-A850 PolarHBondContact O-N 2.89Å; A850-S854 WeakPolarHBondContact O-CB 3.24Å; A850-S854 PolarHBondContact O-N 3.42Å
851	S	86.1	Confident	73.8	Confident	82 Å²	82	79 Å²	79	57%	0.573	45%	0.452	S	S	*	.	H	α-helix	trans	-62	-52.7	175.5	-172.5	0	0	0	0	111.8	K847 I848 E849 S854 G855	K847-S851 WeakPolarHBondContact O-CB 3.42Å; K847-S851 PolarHBondContact O-N 3.02Å; I848-S851 WeakPolarHBondContact O-CB 3.16Å; I848-S851 PolarHBondContact O-N 2.99Å; E849-S851 VanDerWaalsContact C-N 3.31Å; E849-S851 PolarHBondContact O-N 3.43Å; S851-S854 PolarHBondContact O-N 3.21Å; S851-G855 PolarHBondContact O-N 3.26Å
852	V	85.5	Confident	71.6	Confident	22 Å²	22	77.4 Å²	77.4	13%	0.133	45%	0.448	C	S	.	.	H	α-helix	trans	-66.5	-44	-178	172.7	0	0	0	0	112.1	F737 L833 A836 I848 E849 G855 M856	F737-V852 HydrophobicContact CD2-CB 4.4Å; F737-V852 HydrophobicContact CD2-CG1 4.19Å; F737-V852 HydrophobicContact CE2-CB 3.92Å; F737-V852 HydrophobicContact CE2-CG1 4.07Å; F737-V852 HydrophobicContact CE2-CG2 4.03Å; L833-V852 HydrophobicContact CD2-CG1 4.39Å; A836-V852 HydrophobicContact CB-CG2 3.5Å; I848-V852 HydrophobicContact CG2-CG2 4.42Å; I848-V852 WeakPolarHBondContact O-CG2 3.13Å; I848-V852 PolarHBondContact O-N 3.17Å; E849-V852 PolarHBondContact O-N 3.01Å; V852-G855 PolarHBondContact O-N 3.23Å; V852-M856 HydrophobicContact CG1-CE 4.44Å; V852-M856 WeakPolarHBondContact O-CG 3.39Å; V852-M856 PolarHBondContact O-N 3.49Å
853	L	83.1	Confident	69.3	Low	31 Å²	31	77.4 Å²	77.4	16%	0.162	45%	0.453	C	S	.	.	H	α-helix	trans	-69.6	-37.6	179	-65.8	-179.4	0	0	0	112	L733 E849 M856 M857	L733-L853 HydrophobicContact CB-CD1 4.37Å; L733-L853 HydrophobicContact CB-CD2 4.04Å; E849-L853 HydrophobicContact CG-CD1 3.72Å; E849-L853 HydrophobicContact CG-CG 4.26Å; E849-L853 VanDerWaalsContact O-CB 3.31Å; E849-L853 WeakPolarHBondContact O-CB 3.36Å; E849-L853 VanDerWaalsContact O-CG 3.29Å; E849-L853 WeakPolarHBondContact O-CG 3.38Å; E849-L853 PolarHBondContact O-N 3.34Å; L853-M856 PolarHBondContact O-N 2.8Å; L853-M857 WeakPolarHBondContact O-CB 3.37Å; L853-M857 VanDerWaalsContact O-CG 3.32Å; L853-M857 WeakPolarHBondContact O-CG 3.42Å; L853-M857 PolarHBondContact O-N 2.89Å
854	S	77	Confident	67	Low	77 Å²	77	74.5 Å²	74.5	54%	0.538	45%	0.453	S	S	.	.	H	α-helix	trans	-63	-42.3	172.9	-174.1	0	0	0	0	111.6	A850 S851 M857 S858	A850-S854 WeakPolarHBondContact O-CB 3.24Å; A850-S854 PolarHBondContact O-N 3.42Å; S851-S854 PolarHBondContact O-N 3.21Å; S854-M857 PolarHBondContact O-N 3.05Å; S854-S858 PolarHBondContact O-N 3.22Å; S854-S858 PolarHBondContact O-OG 3.3Å
855	G	66.2	Low	64.9	Low	35 Å²	35	82.9 Å²	82.9	36%	0.361	48%	0.48	S	S	.	.	H	α-helix	trans	-54.7	-54.9	170.9	0	0	0	0	0	111.9	S851 V852 M857 S858 D859	S851-G855 PolarHBondContact O-N 3.26Å; V852-G855 PolarHBondContact O-N 3.23Å; G855-M857 VanDerWaalsContact C-N 3.3Å; G855-M857 PolarHBondContact O-N 2.95Å; G855-S858 PolarHBondContact O-N 3.1Å; G855-S858 PolarHBondContact O-OG 3.27Å; G855-D859 PolarHBondContact O-N 2.98Å
856	M	62.7	Low	62.4	Low	114 Å²	114	89.6 Å²	89.6	56%	0.562	51%	0.511	S	S	*	.	H	α-helix	trans	-58.6	-36	177.3	-73.3	-174.2	168.2	0	0	113.7	V852 L853 A860	V852-M856 HydrophobicContact CG1-CE 4.44Å; V852-M856 WeakPolarHBondContact O-CG 3.39Å; V852-M856 PolarHBondContact O-N 3.49Å; L853-M856 PolarHBondContact O-N 2.8Å; M856-A860 WeakPolarHBondContact O-CB 3.42Å; M856-A860 PolarHBondContact O-N 3Å
857	M	54.4	Low	59.6	Low	130 Å²	130	88.3 Å²	88.3	64%	0.64	52%	0.516	S	S	*	.	H	α-helix	trans	-74.5	-37	178.4	-72.8	-179.4	70.1	0	0	112.8	L853 S854 G855 T861	L853-M857 WeakPolarHBondContact O-CB 3.37Å; L853-M857 VanDerWaalsContact O-CG 3.32Å; L853-M857 WeakPolarHBondContact O-CG 3.42Å; L853-M857 PolarHBondContact O-N 2.89Å; S854-M857 PolarHBondContact O-N 3.05Å; G855-M857 VanDerWaalsContact C-N 3.3Å; G855-M857 PolarHBondContact O-N 2.95Å; M857-T861 PolarHBondContact O-N 2.96Å; M857-T861 PolarHBondContact O-OG1 3.32Å
858	S	48.9	Very low	57.1	Low	70 Å²	70	88.9 Å²	88.9	49%	0.49	53%	0.525	S	S	.	.	H	α-helix	trans	-66.5	-43	173.1	62.8	0	0	0	0	111.9	S854 G855 T861 L862	S854-S858 PolarHBondContact O-N 3.22Å; S854-S858 PolarHBondContact O-OG 3.3Å; G855-S858 PolarHBondContact O-N 3.1Å; G855-S858 PolarHBondContact O-OG 3.27Å; S858-T861 WeakPolarHBondContact O-CB 3.41Å; S858-T861 PolarHBondContact O-N 2.72Å; S858-T861 VanDerWaalsContact O-N 3.09Å; S858-L862 PolarHBondContact O-N 3.25Å
859	D	46.3	Very low	54.8	Low	105 Å²	105	95.6 Å²	95.6	56%	0.561	56%	0.56	S	S	*	*	H	α-helix	trans	-68	-41.2	178.1	-161.4	33.6	0	0	0	111.4	G855 T861 L862 A863	G855-D859 PolarHBondContact O-N 2.98Å; D859-T861 PolarHBondContact O-N 3.37Å; D859-L862 PolarHBondContact O-N 2.71Å; D859-A863 VanDerWaalsContact O-CB 3.26Å; D859-A863 WeakPolarHBondContact O-CB 3.33Å; D859-A863 PolarHBondContact O-N 3.2Å
860	A	43.6	Very low	52	Low	75 Å²	75	104.4 Å²	104.4	62%	0.62	59%	0.592	S	S	*	*	H	α-helix	trans	-61.7	-15.5	171.6	0	0	0	0	0	114.4	M856	M856-A860 WeakPolarHBondContact O-CB 3.42Å; M856-A860 PolarHBondContact O-N 3Å
861	T	37.7	Very low	49.4	Very low	118 Å²	118	111.4 Å²	111.4	72%	0.724	61%	0.611	S	S	*	*	H	α-helix	trans	-89.9	-20.9	175.5	-53.6	0	0	0	0	112.4	M857 S858 D859	M857-T861 PolarHBondContact O-N 2.96Å; M857-T861 PolarHBondContact O-OG1 3.32Å; S858-T861 WeakPolarHBondContact O-CB 3.41Å; S858-T861 PolarHBondContact O-N 2.72Å; S858-T861 VanDerWaalsContact O-N 3.09Å; D859-T861 PolarHBondContact O-N 3.37Å
862	L	37.1	Very low	46.7	Very low	154 Å²	154	113.7 Å²	113.7	81%	0.806	62%	0.622	S	S	*	*	H	α-helix	trans	-100.3	-38.5	175.4	-77.7	169.5	0	0	0	113.1	S858 D859 G864	S858-L862 PolarHBondContact O-N 3.25Å; D859-L862 PolarHBondContact O-N 2.71Å; L862-G864 PolarHBondContact O-N 3.31Å
863	A	35.4	Very low	44	Very low	45 Å²	45	124.2 Å²	124.2	37%	0.372	66%	0.659	S	S	.	*			trans	-75.3	47.2	-179.7	0	0	0	0	0	113	D859 R865	D859-A863 VanDerWaalsContact O-CB 3.26Å; D859-A863 WeakPolarHBondContact O-CB 3.33Å; D859-A863 PolarHBondContact O-N 3.2Å; A863-R865 PolarHBondContact O-N 2.8Å
864	G	35.3	Very low	41.4	Very low	64 Å²	64	128.2 Å²	128.2	66%	0.66	69%	0.69	S	S	*	*	S	Bend	trans	-67.4	27.7	-173.3	0	0	0	0	0	116.8	L862	L862-G864 PolarHBondContact O-N 3.31Å
865	R	41.8	Very low	39.2	Very low	230 Å²	230	129.9 Å²	129.9	87%	0.868	70%	0.701	S	S	*	*	S	Bend	trans	-168.5	-20	160.5	-110	158.1	-167.7	-162.5	1.3	116.4	A863	A863-R865 PolarHBondContact O-N 2.8Å
866	E	33.1	Very low	37.6	Very low	172 Å²	172	134 Å²	134	80%	0.804	72%	0.722	S	S	*	*			trans	-124.1	64.2	-162.8	-60.5	-162	143	0	0	115.6
867	C	27.8	Very low	36	Very low	117 Å²	117	132.4 Å²	132.4	79%	0.791	72%	0.722	S	S	*	*			trans	-108.8	72.7	152.8	-168.3	0	0	0	0	108.8	L869	C867-L869 PolarHBondContact O-N 3.48Å
868	L	33	Very low	35	Very low	142 Å²	142	134.2 Å²	134.2	74%	0.743	73%	0.732	S	S	*	*			trans	-84.9	74.8	-163.2	-149.3	86.9	0	0	0	113.1	R870	L868-R870 PolarHBondContact O-N 3.4Å
869	L	38.6	Very low	33.9	Very low	143 Å²	143	134.6 Å²	134.6	75%	0.749	74%	0.735	S	S	*	*			trans	-55.9	107.4	161.3	-79.9	176.8	0	0	0	108.9	C867 K871	C867-L869 PolarHBondContact O-N 3.48Å; L869-K871 PolarHBondContact O-N 3.06Å
870	R	32	Very low	33	Very low	205 Å²	205	136.8 Å²	136.8	77%	0.774	75%	0.746	S	S	*	*			trans	-55	129.1	-173.1	-76	-176.2	175.7	139.3	-0.4	110.5	L868 T872	L868-R870 PolarHBondContact O-N 3.4Å; R870-T872 VanDerWaalsContact C-N 3.3Å; R870-T872 PolarHBondContact O-N 2.91Å
871	K	31.6	Very low	32.1	Very low	208 Å²	208	137.5 Å²	137.5	90%	0.904	75%	0.746	S	S	*	*			trans	-72.9	77.5	-169.7	-163.6	171.4	-172.8	173.2	0	111.3	L869 R873	L869-K871 PolarHBondContact O-N 3.06Å; K871-R873 PolarHBondContact O-N 2.96Å
872	T	29.8	Very low	31.6	Very low	130 Å²	130	140.8 Å²	140.8	80%	0.798	75%	0.753	S	S	*	*			trans	-57.5	124	178.7	47.2	0	0	0	0	110.3	R870 S874	R870-T872 VanDerWaalsContact C-N 3.3Å; R870-T872 PolarHBondContact O-N 2.91Å; T872-S874 PolarHBondContact O-N 2.63Å
873	R	28	Very low	31.1	Very low	243 Å²	243	139.4 Å²	139.4	92%	0.917	76%	0.757	S	S	*	*			trans	-70.7	114.8	-179.2	-69.5	-173.2	177.3	-156.1	1.2	109.1	K871 S875	K871-R873 PolarHBondContact O-N 2.96Å; R873-S875 PolarHBondContact O-N 3.13Å
874	S	28.8	Very low	30.6	Very low	116 Å²	116	140.6 Å²	140.6	81%	0.811	77%	0.773	S	S	*	*			trans	-71.1	113.4	177.4	41.1	0	0	0	0	111.3	T872	T872-S874 PolarHBondContact O-N 2.63Å
875	S	31.1	Very low	30.3	Very low	111 Å²	111	147 Å²	147	78%	0.776	79%	0.786	S	S	*	*			trans	-65	147.9	170.6	-70	0	0	0	0	111.6	R873	R873-S875 PolarHBondContact O-N 3.13Å
876	P	33.3	Very low	29.7	Very low	123 Å²	123	144.5 Å²	144.5	80%	0.799	79%	0.79	S	S	*	*			trans	-79.8	144.6	-156.6	30.2	-36.7	0	0	0	114.3
877	S	29.1	Very low	29.6	Very low	80 Å²	80	140 Å²	140	56%	0.559	79%	0.79	S	S	*	*			trans	-105.5	113.3	167.8	77.6	0	0	0	0	111.7	R650 S879	R650-S877 PolarHBondContact NH1-OG 2.84Å; S877-S879 PolarHBondContact O-N 3.2Å
878	I	31.9	Very low	29.6	Very low	167 Å²	167	146.4 Å²	146.4	86%	0.856	80%	0.797	S	S	*	*			trans	-71.1	115.8	-177.5	-63.5	169.7	0	0	0	111.7
879	S	27.1	Very low	29.5	Very low	79 Å²	79	147 Å²	147	55%	0.552	80%	0.8	S	S	*	*			trans	170.1	139.5	156.5	60.2	0	0	0	0	109.9	S877	S877-S879 PolarHBondContact O-N 3.2Å
880	L	27	Very low	29.5	Very low	151 Å²	151	146.3 Å²	146.3	79%	0.791	81%	0.805	S	S	*	*			cis	-163.2	158.8	-5.2	-149.2	74.3	0	0	0	110.3
881	S	24.8	Very low	29.2	Very low	89 Å²	89	139.7 Å²	139.7	62%	0.622	80%	0.8	S	S	*	*			trans	40.4	111.5	146.1	63	0	0	0	0	122.2
882	H	26.7	Very low	29.1	Very low	188 Å²	188	135.4 Å²	135.4	87%	0.87	80%	0.795	S	S	*	*				32.7	152.2	128.7	-74.1	-72.5	0	0	0	124.6
883	S	27.3	Very low	29.2	Very low	125 Å²	125	135.6 Å²	135.6	87%	0.874	80%	0.796	S	S	*	*			trans	79.4	124.5	167.9	74.8	0	0	0	0	116.4
884	G	25.6	Very low	29.6	Very low	70 Å²	70	134.2 Å²	134.2	72%	0.722	81%	0.814	S	S	*	*			cis	147.7	137	-18.3	0	0	0	0	0	114.1
885	Q	28.3	Very low	29.7	Very low	199 Å²	199	135.1 Å²	135.1	93%	0.93	81%	0.814	S	S	*	*			trans	-162.5	144.1	163.7	-110.9	157.5	34.7	0	0	111.1
886	N	29.3	Very low	29.6	Very low	177 Å²	177	136.4 Å²	136.4	95%	0.947	82%	0.816	S	S	*	*			trans	-84.3	132	175.9	-65.2	-42.9	0	0	0	110
887	G	30.2	Very low	29.4	Very low	78 Å²	78	137.1 Å²	137.1	80%	0.804	82%	0.817	S	S	*	*			trans	-155.2	107.1	-179.7	0	0	0	0	0	112.6
888	R	29.2	Very low	29.4	Very low	251 Å²	251	140.5 Å²	140.5	95%	0.947	83%	0.832	S	S	*	*			trans	-65.7	139.8	-177.2	-119.5	179.8	176.1	-146.2	0.6	113.1
889	L	29.6	Very low	29.3	Very low	153 Å²	153	138.8 Å²	138.8	80%	0.801	83%	0.831	S	S	*	*			trans	-53.8	156.5	150.2	-81.9	166.8	0	0	0	110.8
890	P	39.4	Very low	29.4	Very low	130 Å²	130	142.8 Å²	142.8	84%	0.844	85%	0.849	S	S	*	*			cis	-149.5	-176	48.3	43	-22.6	0	0	0	118.1
891	G	26.2	Very low	29.6	Very low	65 Å²	65	142.2 Å²	142.2	67%	0.67	85%	0.853	S	S	*	*			trans	114.1	106.7	176.8	0	0	0	0	0	110.8
892	C	29	Very low	30	Very low	119 Å²	119	146.3 Å²	146.3	80%	0.804	87%	0.871	S	S	*	*			cis	80.4	121.9	34.1	-160.7	0	0	0	0	113.5
893	T	32.4	Very low	30.2	Very low	133 Å²	133	142.8 Å²	142.8	82%	0.816	87%	0.871	S	S	*	*			trans	62.8	142.5	-174.6	70	0	0	0	0	115.3
894	V	36.3	Very low	30.5	Very low	214 Å²	214	144.5 Å²	144.5	100%	1.297	87%	0.871	S	S	*	*			cis	-118.3	0	-7	177.7	0	0	0	0	108.4

Retrieved 894 of 894 residues in 161.8 ms (Link to these results)

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